#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kax n GLU 2 N 0.00 0.00 -3.93 0.03 4.71 -1.26 -4.25 120.64 115.94 2kax n GLU 2 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.16 56.93 2kax n GLU 2 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.38 2kax n GLU 2 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2kax s THR 3 N 0.00 3.27 0.02 2.62 -4.23 -1.26 -5.04 115.64 111.02 2kax s THR 3 Ca 0.00 -1.51 -0.22 0.00 -1.18 0.00 0.00 61.69 58.78 2kax s THR 3 Cb 0.00 -3.09 -0.16 0.00 1.34 0.00 0.00 72.50 70.59 2kax s THR 3 CO 0.00 -0.17 1.32 1.55 -0.54 0.00 0.00 174.62 176.78 2kax h PRO 4 N 1.37 0.23 -0.41 3.99 0.13 -2.00 -2.24 132.00 133.07 2kax h PRO 4 Ca -0.44 -0.12 -0.04 0.00 -0.87 0.00 0.00 66.00 64.53 2kax h PRO 4 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 2kax h PRO 4 CO 0.61 0.65 0.10 1.25 -0.23 0.00 0.00 178.00 180.38 2kax h LEU 5 N -0.18 0.62 -0.72 1.56 5.85 -1.98 -2.38 115.31 118.08 2kax h LEU 5 Ca 0.02 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 2kax h LEU 5 Cb 0.61 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 2kax h LEU 5 CO 0.02 0.69 0.30 -0.08 -0.34 0.00 0.00 178.44 179.03 2kax h GLU 6 N 0.52 1.08 0.00 1.25 4.57 -1.82 -2.57 114.58 117.60 2kax h GLU 6 Ca 0.13 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 2kax h GLU 6 Cb 0.31 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2kax h GLU 6 CO 0.00 0.88 -0.04 1.57 -1.18 0.00 0.00 179.01 180.24 2kax h LYS 7 N 1.03 0.00 0.15 1.92 5.09 -0.92 0.29 116.57 124.14 2kax h LYS 7 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.97 2kax h LYS 7 Cb 0.20 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.53 2kax h LYS 7 CO -0.02 0.04 -0.07 0.00 -2.09 0.00 0.00 179.45 177.31 2kax h ALA 8 N 1.96 -0.21 -0.98 0.07 0.00 -1.05 -0.81 119.26 118.23 2kax h ALA 8 Ca -0.00 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.85 2kax h ALA 8 Cb 0.10 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 2kax h ALA 8 CO 0.01 -0.50 0.63 -0.07 0.00 0.00 0.00 179.25 179.31 2kax h LEU 9 N -0.44 0.98 -0.86 0.00 -0.00 -0.97 -0.48 115.31 113.54 2kax h LEU 9 Ca -0.02 0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 57.83 2kax h LEU 9 Cb 0.35 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 40.80 2kax h LEU 9 CO 0.03 0.59 0.22 0.74 -0.00 0.00 0.00 178.44 180.03 2kax h THR 10 N 1.09 1.25 -0.49 0.22 2.02 -0.36 0.22 112.91 116.87 2kax h THR 10 Ca 0.44 -0.86 -0.08 0.00 0.77 0.00 0.00 66.41 66.68 2kax h THR 10 Cb 0.26 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 2kax h THR 10 CO -0.20 0.34 -0.02 0.74 0.37 0.00 0.00 175.52 176.75 2kax h THR 11 N 1.03 1.25 -0.06 3.16 2.02 -0.55 -1.90 112.91 117.86 2kax h THR 11 Ca 0.23 -1.05 -0.08 0.00 0.77 0.00 0.00 66.41 66.27 2kax h THR 11 Cb 0.28 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2kax h THR 11 CO -0.01 0.37 -0.29 -0.03 0.37 0.00 0.00 175.52 175.93 2kax h MET 12 N 0.77 0.30 -0.07 6.66 -1.53 -0.13 -2.62 114.93 118.30 2kax h MET 12 Ca 0.14 -0.24 -0.10 0.00 -3.44 0.00 0.00 59.70 56.06 2kax h MET 12 Cb 0.49 0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.58 2kax h MET 12 CO 0.02 0.89 -0.40 -0.39 0.14 0.00 0.00 176.91 177.17 2kax h VAL 13 N -0.22 1.30 0.10 -5.77 -1.51 -0.64 -0.61 116.25 108.90 2kax h VAL 13 Ca -0.02 -1.47 -0.00 0.00 -1.23 0.00 0.00 66.70 63.98 2kax h VAL 13 Cb 0.94 1.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.80 2kax h VAL 13 CO 0.06 0.43 -0.05 0.71 -1.23 0.00 0.00 177.57 177.50 2kax h THR 14 N 0.13 1.08 -0.09 7.19 1.35 -1.40 -0.50 112.91 120.67 2kax h THR 14 Ca 0.01 -0.69 -0.06 0.00 -0.55 0.00 0.00 66.41 65.12 2kax h THR 14 Cb 0.78 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.71 2kax h THR 14 CO 0.06 0.17 -0.20 0.71 -0.25 0.00 0.00 175.52 176.01 2kax h THR 15 N -0.45 1.19 -0.25 6.82 1.35 -1.41 -0.82 112.91 119.34 2kax h THR 15 Ca -0.01 -0.87 -0.08 0.00 -0.55 0.00 0.00 66.41 64.89 2kax h THR 15 Cb 0.38 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 2kax h THR 15 CO 0.02 0.26 -0.15 0.15 -0.25 0.00 0.00 175.52 175.55 2kax h PHE 16 N 0.14 0.64 -0.03 4.73 3.57 -1.10 -3.03 116.94 121.86 2kax h PHE 16 Ca 0.02 -0.17 0.01 0.00 3.53 0.00 0.00 57.97 61.36 2kax h PHE 16 Cb 0.44 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 2kax h PHE 16 CO 0.00 0.83 0.02 1.25 -2.23 0.00 0.00 178.31 178.19 2kax h HIS 17 N 0.27 0.00 0.00 0.41 2.76 -0.54 -0.45 115.15 117.61 2kax h HIS 17 Ca 0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2kax h HIS 17 Cb 0.68 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.64 2kax h HIS 17 CO 0.07 0.00 0.04 -0.22 -1.30 0.00 0.00 177.93 176.52 2kax h LYS 18 N 0.00 0.00 0.00 5.26 3.11 -1.03 -2.35 116.57 121.56 2kax h LYS 18 Ca 0.01 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 2kax h LYS 18 Cb 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.29 2kax h LYS 18 CO -0.00 0.00 -0.67 0.66 -2.81 0.00 0.00 179.45 176.63 2kax n TYR 19 N -2.40 0.00 -0.10 1.91 4.02 -0.73 -4.79 117.16 115.07 2kax n TYR 19 Ca -0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.85 2kax n TYR 19 Cb 0.08 0.00 0.21 0.00 -0.02 0.00 0.00 39.34 39.61 2kax n TYR 19 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2kax h SER 20 N 0.00 0.72 0.00 7.72 4.64 -1.17 -2.26 113.55 123.19 2kax h SER 20 Ca 0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2kax h SER 20 Cb 0.67 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2kax h SER 20 CO 0.00 0.73 0.00 0.61 -0.87 0.00 0.00 176.83 177.30 2kax n GLY 21 N -0.84 -0.34 0.05 -0.77 0.00 -0.89 -1.64 105.19 100.77 2kax n GLY 21 Ca 0.03 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.05 2kax n GLY 21 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kax n ARG 22 N -0.63 0.67 0.00 1.61 0.63 -0.85 -5.03 116.66 113.06 2kax n ARG 22 Ca 0.02 -0.11 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 2kax n ARG 22 Cb 0.01 -1.52 0.00 0.00 0.45 0.00 0.00 32.46 31.40 2kax n ARG 22 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2kax n GLU 23 N -2.48 0.00 -0.09 -0.14 -0.58 -0.65 -5.05 120.64 111.65 2kax n GLU 23 Ca -0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 2kax n GLU 23 Cb 0.84 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.71 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 -1.43 1.74 0.81 0.62 0.00 -1.26 -4.43 105.19 101.23 2kax n GLY 24 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2kax n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kax n SER 25 N 0.10 -4.64 0.00 1.61 3.41 -1.26 -3.23 113.62 109.61 2kax n SER 25 Ca 0.00 0.76 0.08 0.00 -0.26 0.00 0.00 58.87 59.45 2kax n SER 25 Cb 0.02 -2.01 0.47 0.00 -0.26 0.00 0.00 64.21 62.43 2kax n SER 25 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2kax n LYS 26 N -1.39 0.59 0.00 4.33 2.85 -1.26 -2.40 118.16 120.88 2kax n LYS 26 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2kax n LYS 26 Cb 0.10 -1.42 0.00 0.00 -0.65 0.00 0.00 35.03 33.06 2kax n LYS 26 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2kax n LEU 27 N -0.92 0.80 0.00 -5.58 4.77 -1.26 -4.29 117.00 110.52 2kax n LEU 27 Ca 0.12 -0.80 -0.20 0.00 -0.03 0.00 0.00 56.01 55.10 2kax n LEU 27 Cb 0.05 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 2kax n LEU 27 CO 0.09 0.20 -0.14 0.35 -1.33 0.00 0.00 177.39 176.56 2kax n THR 28 N -0.13 0.00 -3.50 -5.08 -2.24 -1.01 -4.38 114.28 97.94 2kax n THR 28 Ca 0.00 -1.76 -0.10 0.00 -2.27 0.00 0.00 64.05 59.92 2kax n THR 28 Cb 0.24 0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 69.00 2kax n THR 28 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2kax s LEU 29 N 0.00 -0.42 0.34 3.22 2.34 -0.38 -4.37 118.68 119.41 2kax s LEU 29 Ca 0.11 0.12 -0.28 0.00 0.06 0.00 0.00 54.13 54.14 2kax s LEU 29 Cb 0.01 2.13 -0.10 0.00 -0.56 0.00 0.00 46.19 47.67 2kax s LEU 29 CO 0.08 -0.63 1.25 -0.94 -1.06 0.00 0.00 176.35 175.05 2kax s SER 30 N -2.22 6.77 0.50 1.48 1.04 -1.26 -0.78 113.70 119.23 2kax s SER 30 Ca 0.02 2.57 0.21 0.00 0.48 0.00 0.00 55.95 59.23 2kax s SER 30 Cb -0.01 -2.64 1.31 0.00 0.10 0.00 0.00 66.02 64.78 2kax s SER 30 CO -0.07 -0.53 2.08 -0.09 0.98 0.00 0.00 173.24 175.61 2kax h ARG 31 N 3.27 0.00 -0.11 4.02 2.43 -0.39 0.26 114.38 123.86 2kax h ARG 31 Ca -0.49 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.72 2kax h ARG 31 Cb 1.23 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2kax h ARG 31 CO 0.65 0.12 0.09 -0.22 -1.51 0.00 0.00 179.97 179.09 2kax h LYS 32 N 0.00 0.00 0.13 0.20 3.11 -0.91 -3.05 116.57 116.05 2kax h LYS 32 Ca -0.00 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.56 2kax h LYS 32 Cb 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.48 2kax h LYS 32 CO 0.02 0.00 -1.26 1.49 -2.81 0.00 0.00 179.45 176.88 2kax h GLU 33 N 0.00 0.27 -0.98 1.90 4.57 -0.74 -3.24 114.58 116.36 2kax h GLU 33 Ca 0.05 -0.45 0.12 0.00 -1.18 0.00 0.00 59.36 57.89 2kax h GLU 33 Cb 0.22 0.17 -0.08 0.00 -0.16 0.00 0.00 28.75 28.90 2kax h GLU 33 CO -0.00 1.21 0.61 1.25 -1.18 0.00 0.00 179.01 180.90 2kax h LEU 34 N 0.07 0.90 -1.44 1.64 5.85 -1.56 -0.86 115.31 119.91 2kax h LEU 34 Ca -0.14 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.63 2kax h LEU 34 Cb 1.97 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.84 2kax h LEU 34 CO 0.20 0.48 0.38 0.50 -0.34 0.00 0.00 178.44 179.66 2kax h LYS 35 N 0.97 0.75 0.19 1.25 3.11 -1.58 -1.45 116.57 119.80 2kax h LYS 35 Ca 0.48 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 58.27 2kax h LYS 35 Cb 0.47 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.53 2kax h LYS 35 CO -0.26 0.50 -0.09 1.49 -2.81 0.00 0.00 179.45 178.27 2kax h GLU 36 N 0.77 -0.24 -0.99 1.90 4.57 -1.25 -3.31 114.58 116.02 2kax h GLU 36 Ca 0.21 0.02 0.15 0.00 -1.18 0.00 0.00 59.36 58.55 2kax h GLU 36 Cb -0.08 0.05 -0.16 0.00 -0.16 0.00 0.00 28.75 28.41 2kax h GLU 36 CO -0.05 -0.16 -0.42 1.25 -1.18 0.00 0.00 179.01 178.46 2kax h LEU 37 N -0.36 -1.53 -1.37 1.64 5.85 -1.02 0.19 115.31 118.72 2kax h LEU 37 Ca -0.03 0.31 -0.07 0.00 0.84 0.00 0.00 57.88 58.94 2kax h LEU 37 Cb 0.19 0.78 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 2kax h LEU 37 CO 0.04 -0.28 -0.32 0.40 -0.34 0.00 0.00 178.44 177.94 2kax h ILE 38 N -0.00 1.20 -0.02 4.05 2.04 -1.44 -1.25 117.51 122.10 2kax h ILE 38 Ca 0.32 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 65.09 2kax h ILE 38 Cb 0.57 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 2kax h ILE 38 CO -0.98 0.31 -0.24 0.29 0.00 0.00 0.00 178.15 177.53 2kax n LYS 39 N -4.12 1.64 -0.08 2.37 4.76 -0.64 -3.90 118.16 118.19 2kax n LYS 39 Ca -0.02 -1.28 -0.10 0.00 -2.87 0.00 0.00 58.31 54.04 2kax n LYS 39 Cb 0.36 -1.40 -0.05 0.00 -1.84 0.00 0.00 35.03 32.10 2kax n LYS 39 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2kax h LYS 40 N 3.03 0.00 -0.01 1.97 1.79 0.08 -3.40 116.57 120.03 2kax h LYS 40 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2kax h LYS 40 Cb 0.76 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 2kax h LYS 40 CO 0.00 0.36 -0.21 0.39 -1.08 0.00 0.00 179.45 178.92 2kax n GLU 41 N -4.58 0.85 -4.23 3.15 -0.58 -0.54 -4.84 120.64 109.86 2kax n GLU 41 Ca -0.14 -0.45 -0.19 0.00 -0.42 0.00 0.00 57.16 55.96 2kax n GLU 41 Cb 0.37 -1.49 -0.16 0.00 -0.57 0.00 0.00 31.44 29.59 2kax n GLU 41 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2kax s LEU 42 N -2.47 1.60 -0.00 -4.62 0.20 -1.25 -5.08 118.68 107.06 2kax s LEU 42 Ca 0.26 -0.14 -0.01 0.00 0.69 0.00 0.00 54.13 54.94 2kax s LEU 42 Cb 0.20 -0.44 -0.00 0.00 -0.43 0.00 0.00 46.19 45.52 2kax s LEU 42 CO 0.50 0.00 0.02 0.00 -0.29 0.00 0.00 176.35 176.58 2kax n LEU 44 N 2.80 0.00 0.00 0.00 4.32 -1.26 -4.99 117.00 117.88 2kax n LEU 44 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 2kax n LEU 44 Cb 0.59 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 2kax n LEU 44 CO 0.24 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.02 2kax n GLY 45 N 4.40 0.64 0.00 -0.72 0.00 -1.26 -4.80 105.19 103.45 2kax n GLY 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 3.16 -1.37 1.61 0.00 -1.26 -5.07 120.64 115.71 2kax n GLU 46 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 2kax n GLU 46 Cb 0.00 -0.91 0.04 0.00 0.00 0.00 0.00 31.44 30.58 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 -1.70 0.36 -1.59 3.44 2.81 -1.26 -5.03 117.12 114.14 2kax n MET 47 Ca 0.00 -1.04 -0.44 0.00 -1.81 0.00 0.00 57.70 54.42 2kax n MET 47 Cb 0.39 -0.25 -0.03 0.00 -0.71 0.00 0.00 33.22 32.62 2kax n MET 47 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2kax n LYS 48 N -1.70 1.97 -4.99 0.03 4.01 -1.26 -5.00 118.16 111.23 2kax n LYS 48 Ca 0.06 0.56 -0.32 0.00 -0.51 0.00 0.00 58.31 58.10 2kax n LYS 48 Cb 0.22 -3.16 -0.14 0.00 -0.51 0.00 0.00 35.03 31.45 2kax n LYS 48 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2kax s GLU 49 N 6.18 2.53 0.00 1.97 2.02 -1.26 -4.88 118.70 125.25 2kax s GLU 49 Ca 1.01 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 55.24 2kax s GLU 49 Cb -0.39 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.52 2kax s GLU 49 CO 0.37 0.55 0.00 0.43 0.02 0.00 0.00 175.26 176.63 2kax n SER 50 N 2.52 0.00 0.00 -0.19 7.64 -1.26 -4.95 113.62 117.38 2kax n SER 50 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 2kax n SER 50 Cb 0.52 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.73 2kax n SER 50 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2kax n SER 51 N 0.00 0.00 0.08 6.43 7.64 -1.26 -1.22 113.62 125.29 2kax n SER 51 Ca 0.00 -0.47 -0.05 0.00 1.01 0.00 0.00 58.87 59.36 2kax n SER 51 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 2kax n SER 51 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 2kax h ILE 52 N 0.00 1.58 0.01 0.44 -0.00 -1.94 -3.39 117.51 114.20 2kax h ILE 52 Ca 0.00 -3.19 -0.24 0.00 -0.00 0.00 0.00 64.86 61.43 2kax h ILE 52 Cb 0.00 2.75 0.01 0.00 -0.00 0.00 0.00 36.82 39.58 2kax h ILE 52 CO 0.00 0.89 -0.98 -0.78 -0.00 0.00 0.00 178.15 177.28 2kax h ASP 53 N 0.00 0.58 -0.18 2.16 3.58 -1.59 0.30 116.42 121.27 2kax h ASP 53 Ca -0.01 -0.48 0.04 0.00 0.42 0.00 0.00 57.03 57.00 2kax h ASP 53 Cb 1.68 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 42.52 2kax h ASP 53 CO 0.12 1.28 -0.06 -0.78 -2.88 0.00 0.00 179.24 176.92 2kax h ASP 54 N 0.24 -0.20 -0.31 2.28 1.82 -1.80 -1.28 116.42 117.17 2kax h ASP 54 Ca -0.09 0.06 -0.14 0.00 -0.39 0.00 0.00 57.03 56.47 2kax h ASP 54 Cb 1.63 0.12 -0.00 0.00 0.68 0.00 0.00 39.33 41.76 2kax h ASP 54 CO 0.17 -0.07 -0.34 -0.07 -1.61 0.00 0.00 179.24 177.31 2kax h LEU 55 N -0.02 0.83 -0.50 2.28 3.38 -1.66 0.68 115.31 120.31 2kax h LEU 55 Ca 0.09 -0.48 0.08 0.00 0.09 0.00 0.00 57.88 57.65 2kax h LEU 55 Cb 0.15 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 2kax h LEU 55 CO -0.19 1.15 0.15 0.24 0.09 0.00 0.00 178.44 179.87 2kax h MET 56 N 0.54 0.30 0.00 1.13 2.86 -0.42 -0.24 114.93 119.10 2kax h MET 56 Ca 0.04 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 2kax h MET 56 Cb 0.93 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 2kax h MET 56 CO 0.08 0.20 -0.34 -0.22 1.06 0.00 0.00 176.91 177.69 2kax h LYS 57 N 0.31 0.00 -0.35 1.72 1.63 -0.82 -1.05 116.57 118.01 2kax h LYS 57 Ca 0.24 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.89 2kax h LYS 57 Cb 0.29 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 2kax h LYS 57 CO -0.28 0.34 -0.38 1.03 -3.45 0.00 0.00 179.45 176.71 2kax h SER 58 N 0.00 0.89 0.34 4.20 0.87 -0.17 -2.91 113.55 116.77 2kax h SER 58 Ca -0.00 -0.40 -0.02 0.00 -1.23 0.00 0.00 61.79 60.14 2kax h SER 58 Cb 0.67 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2kax h SER 58 CO 0.04 1.16 -0.16 -0.07 -0.53 0.00 0.00 176.83 177.27 2kax h LEU 59 N 0.69 -0.39 -0.92 2.23 3.38 -0.79 -3.28 115.31 116.23 2kax h LEU 59 Ca 0.06 -0.03 0.23 0.00 0.09 0.00 0.00 57.88 58.23 2kax h LEU 59 Cb 0.95 0.10 -0.17 0.00 0.09 0.00 0.00 40.66 41.63 2kax h LEU 59 CO 0.09 -0.22 -0.02 -0.78 0.09 0.00 0.00 178.44 177.60 2kax h ASP 60 N -0.52 -0.51 -0.48 -0.43 3.58 -1.19 -0.90 116.42 115.98 2kax h ASP 60 Ca -0.05 0.26 0.14 0.00 0.42 0.00 0.00 57.03 57.80 2kax h ASP 60 Cb 0.39 0.46 -0.02 0.00 1.72 0.00 0.00 39.33 41.89 2kax h ASP 60 CO 0.08 -0.30 0.58 0.50 -2.88 0.00 0.00 179.24 177.22 2kax h LYS 61 N 0.04 0.00 0.00 0.28 1.63 -1.57 -2.80 116.57 114.15 2kax h LYS 61 Ca 0.53 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.33 2kax h LYS 61 Cb 1.01 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.64 2kax h LYS 61 CO -0.86 0.00 -0.20 0.09 -3.45 0.00 0.00 179.45 175.03 2kax n ASN 62 N -3.52 0.46 -0.30 4.20 3.02 -0.38 -4.99 115.26 113.75 2kax n ASN 62 Ca 0.09 -1.72 0.31 0.00 -0.03 0.00 0.00 54.58 53.22 2kax n ASN 62 Cb 0.77 -0.13 0.47 0.00 -0.61 0.00 0.00 39.78 40.28 2kax n ASN 62 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2kax n SER 63 N -0.21 0.00 0.09 6.41 7.64 -0.99 -1.55 113.62 125.01 2kax n SER 63 Ca 0.02 0.72 0.02 0.00 1.01 0.00 0.00 58.87 60.64 2kax n SER 63 Cb 0.57 -0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 63.46 2kax n SER 63 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2kax h ASP 64 N 0.00 0.00 -3.83 6.43 3.58 -1.91 0.19 116.42 120.89 2kax h ASP 64 Ca 0.54 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 57.49 2kax h ASP 64 Cb 2.78 0.00 0.04 0.00 1.72 0.00 0.00 39.33 43.88 2kax h ASP 64 CO -0.01 0.49 0.21 -1.10 -2.88 0.00 0.00 179.24 175.96 2kax s GLN 65 N -2.98 3.51 0.21 0.28 -0.21 -0.59 -4.58 119.66 115.30 2kax s GLN 65 Ca 0.00 0.35 -0.24 0.00 0.02 0.00 0.00 55.36 55.50 2kax s GLN 65 Cb 0.08 -2.27 -0.08 0.00 1.00 0.00 0.00 33.01 31.73 2kax s GLN 65 CO 0.78 -0.36 0.79 -1.21 -2.12 0.00 0.00 175.29 173.17 2kax s GLU 66 N -4.90 4.48 0.16 2.91 2.02 -1.26 -0.32 118.70 121.79 2kax s GLU 66 Ca 0.50 1.10 0.05 0.00 0.02 0.00 0.00 54.97 56.65 2kax s GLU 66 Cb -0.11 -3.09 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 2kax s GLU 66 CO 0.48 0.48 -0.12 0.96 0.02 0.00 0.00 175.26 177.08 2kax s ILE 67 N -1.32 1.33 0.60 -1.63 -4.36 0.04 -4.89 121.20 110.96 2kax s ILE 67 Ca 0.40 -2.06 0.09 0.00 -0.26 0.00 0.00 60.65 58.82 2kax s ILE 67 Cb -0.21 -1.86 0.10 0.00 1.25 0.00 0.00 42.46 41.74 2kax s ILE 67 CO 0.24 -0.68 0.83 1.51 0.24 0.00 0.00 174.94 177.09 2kax s ASP 68 N -3.13 4.99 0.00 4.36 -4.77 -1.26 -1.25 116.67 115.61 2kax s ASP 68 Ca 0.17 -0.87 0.03 0.00 -3.30 0.00 0.00 52.55 48.59 2kax s ASP 68 Cb 0.01 0.39 0.18 0.00 -1.09 0.00 0.00 42.92 42.41 2kax s ASP 68 CO 0.02 -1.44 0.89 0.33 0.70 0.00 0.00 175.17 175.68 2kax n PHE 69 N -2.32 0.00 -0.09 2.11 7.35 -1.26 -3.18 117.46 120.06 2kax n PHE 69 Ca 0.17 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.68 2kax n PHE 69 Cb 0.62 -0.24 -0.07 0.00 0.35 0.00 0.00 39.48 40.13 2kax n PHE 69 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 2kax n LYS 70 N -1.24 0.42 -0.28 -4.13 4.81 -1.26 -1.91 118.16 114.57 2kax n LYS 70 Ca 0.02 0.15 0.03 0.00 -0.87 0.00 0.00 58.31 57.64 2kax n LYS 70 Cb 0.03 -1.25 0.11 0.00 0.02 0.00 0.00 35.03 33.93 2kax n LYS 70 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2kax h GLU 71 N -0.44 0.01 -0.08 1.64 4.39 -1.99 0.21 114.58 118.31 2kax h GLU 71 Ca -0.46 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.24 2kax h GLU 71 Cb 1.50 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.14 2kax h GLU 71 CO -0.21 0.01 0.05 -0.92 -1.16 0.00 0.00 179.01 176.77 2kax h TYR 72 N 0.01 0.11 -0.51 4.33 3.20 -1.65 0.18 116.97 122.64 2kax h TYR 72 Ca 0.39 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.15 2kax h TYR 72 Cb 0.61 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 2kax h TYR 72 CO -0.61 0.11 -0.11 1.03 -1.64 0.00 0.00 178.16 176.94 2kax h SER 73 N 0.08 0.95 -0.29 -2.11 0.87 -1.07 -0.92 113.55 111.07 2kax h SER 73 Ca 0.03 -0.31 -0.10 0.00 -1.23 0.00 0.00 61.79 60.18 2kax h SER 73 Cb 0.03 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 2kax h SER 73 CO -0.01 1.07 -0.18 -0.37 -0.53 0.00 0.00 176.83 176.82 2kax h VAL 74 N 0.85 1.26 -0.19 2.23 -1.51 -0.84 -1.60 116.25 116.45 2kax h VAL 74 Ca 0.13 -1.26 -0.02 0.00 -1.23 0.00 0.00 66.70 64.32 2kax h VAL 74 Cb 0.66 1.15 -0.01 0.00 -2.13 0.00 0.00 31.29 30.97 2kax h VAL 74 CO 0.05 0.42 0.02 0.15 -1.23 0.00 0.00 177.57 176.98 2kax h PHE 75 N 0.66 0.35 -0.83 5.19 3.04 -0.75 0.27 116.94 124.86 2kax h PHE 75 Ca 0.10 -0.05 0.04 0.00 3.98 0.00 0.00 57.97 62.04 2kax h PHE 75 Cb 0.67 -0.09 -0.05 0.00 2.56 0.00 0.00 35.95 39.03 2kax h PHE 75 CO 0.03 0.49 0.55 -0.07 -2.02 0.00 0.00 178.31 177.29 2kax h LEU 76 N 0.10 0.88 0.11 0.59 3.38 -1.17 -1.60 115.31 117.61 2kax h LEU 76 Ca 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2kax h LEU 76 Cb 0.33 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2kax h LEU 76 CO 0.01 0.60 -0.05 0.74 0.09 0.00 0.00 178.44 179.83 2kax h THR 77 N 1.02 1.08 -0.97 0.22 2.02 -0.97 -3.12 112.91 112.19 2kax h THR 77 Ca 0.33 -0.87 0.08 0.00 0.77 0.00 0.00 66.41 66.72 2kax h THR 77 Cb 0.04 1.62 -0.07 0.00 -1.74 0.00 0.00 68.15 68.00 2kax h THR 77 CO -0.10 0.21 0.62 0.24 0.37 0.00 0.00 175.52 176.85 2kax h MET 78 N -0.57 1.05 0.11 6.66 2.86 -0.24 -1.78 114.93 123.02 2kax h MET 78 Ca -0.02 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2kax h MET 78 Cb 0.45 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 2kax h MET 78 CO 0.03 0.69 -0.16 1.25 1.06 0.00 0.00 176.91 179.78 2kax h LEU 79 N 1.08 -0.44 -0.51 1.22 7.12 -1.36 -0.40 115.31 122.01 2kax h LEU 79 Ca 0.44 0.05 0.09 0.00 0.13 0.00 0.00 57.88 58.58 2kax h LEU 79 Cb 0.25 0.17 -0.07 0.00 -0.53 0.00 0.00 40.66 40.48 2kax h LEU 79 CO -0.20 -0.24 0.11 0.00 -0.13 0.00 0.00 178.44 177.98 2kax h MET 81 N 0.24 0.00 -0.19 0.00 2.86 -1.12 -1.78 114.93 114.95 2kax h MET 81 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2kax h MET 81 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2kax h MET 81 CO -0.33 0.10 0.00 0.00 1.06 0.00 0.00 176.91 177.74 2kax n ALA 82 N -2.25 2.51 0.00 6.32 0.00 -0.18 -4.58 120.51 122.33 2kax n ALA 82 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2kax n ALA 82 Cb 0.23 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 0.29 0.00 -2.82 0.00 0.18 -1.08 -4.72 117.16 109.02 2kax n TYR 83 Ca 0.15 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.51 2kax n TYR 83 Cb 0.31 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.23 2kax n TYR 83 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 2kax s ASN 84 N -0.62 6.86 0.27 9.48 2.47 -0.69 -4.93 114.94 127.78 2kax s ASN 84 Ca 0.00 1.02 0.14 0.00 0.42 0.00 0.00 52.86 54.44 2kax s ASN 84 Cb 0.00 -2.47 0.24 0.00 -1.45 0.00 0.00 41.25 37.57 2kax s ASN 84 CO 0.00 -0.63 1.52 0.44 -3.72 0.00 0.00 177.10 174.71 2kax h ASP 85 N 7.80 0.00 0.45 -4.21 5.19 -1.99 -3.38 116.42 120.28 2kax h ASP 85 Ca -0.22 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 2kax h ASP 85 Cb 1.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.59 2kax h ASP 85 CO 0.92 0.60 0.00 0.33 -3.12 0.00 0.00 179.24 177.97 2kax n PHE 86 N -3.44 0.00 0.00 4.55 7.35 -1.26 -1.95 117.46 122.72 2kax n PHE 86 Ca 0.00 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.70 2kax n PHE 86 Cb 0.69 -0.34 0.01 0.00 0.35 0.00 0.00 39.48 40.20 2kax n PHE 86 CO 0.00 0.00 0.00 1.97 -0.76 0.00 0.00 176.76 177.97 2kax n PHE 87 N -1.34 0.04 0.00 -5.13 -1.74 -1.26 -4.98 117.46 103.05 2kax n PHE 87 Ca 0.08 -0.35 0.00 0.00 -0.56 0.00 0.00 57.45 56.62 2kax n PHE 87 Cb 0.17 -0.03 0.00 0.00 1.52 0.00 0.00 39.48 41.14 2kax n PHE 87 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 2kax n LEU 88 N -0.25 0.00 0.00 5.98 7.99 -0.82 -5.11 117.00 124.79 2kax n LEU 88 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 2kax n LEU 88 Cb 0.20 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.51 2kax n LEU 88 CO 0.01 0.00 0.00 -0.62 -1.51 0.00 0.00 177.39 175.27 2kax n GLU 89 N 0.00 1.07 0.00 3.23 1.02 -1.26 -5.13 120.64 119.57 2kax n GLU 89 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kax n GLU 89 Cb 0.00 -0.20 0.00 0.00 -0.02 0.00 0.00 31.44 31.22 2kax n GLU 89 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2kax n ASP 90 N -0.28 0.00 -4.58 1.62 2.03 -1.26 -5.09 116.55 108.99 2kax n ASP 90 Ca 0.00 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.95 2kax n ASP 90 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 2kax n ASP 90 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2kax s ASN 91 N 0.00 5.97 0.00 1.67 0.02 -1.26 -5.13 114.94 116.21 2kax s ASN 91 Ca 0.00 -1.94 0.00 0.00 -1.02 0.00 0.00 52.86 49.90 2kax s ASN 91 Cb 0.00 -2.58 0.00 0.00 0.02 0.00 0.00 41.25 38.69 2kax s ASN 91 CO 0.00 -2.08 0.00 0.29 0.02 0.00 0.00 177.10 175.33