#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 0.58 -2.53 0.03 4.71 -1.26 -4.81 120.64 117.35 2kax n GLU 2 Ca 0.00 0.17 -0.40 0.00 -0.01 0.00 0.00 57.16 56.93 2kax n GLU 2 Cb 0.00 -1.45 -0.05 0.00 -1.01 0.00 0.00 31.44 28.93 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 -2.47 3.62 0.29 2.62 -4.23 -1.26 -4.93 115.64 109.27 2kax s THR 3 Ca -0.33 1.58 0.05 0.00 -1.18 0.00 0.00 61.69 61.80 2kax s THR 3 Cb 0.10 -3.98 0.05 0.00 1.34 0.00 0.00 72.50 70.01 2kax s THR 3 CO 0.52 0.33 1.71 1.55 -0.54 0.00 0.00 174.62 178.19 2kax h PRO 4 N 3.69 0.34 -0.23 3.99 0.13 -2.00 -1.62 132.00 136.30 2kax h PRO 4 Ca -0.47 -0.15 -0.13 0.00 -0.87 0.00 0.00 66.00 64.39 2kax h PRO 4 Cb 1.21 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2kax h PRO 4 CO 0.66 0.65 -0.40 1.25 -0.23 0.00 0.00 178.00 179.94 2kax h LEU 5 N 0.29 0.55 -1.67 1.56 5.85 -2.01 -2.11 115.31 117.78 2kax h LEU 5 Ca 0.03 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 2kax h LEU 5 Cb 0.76 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2kax h LEU 5 CO 0.06 0.89 -0.18 -0.08 -0.34 0.00 0.00 178.44 178.79 2kax h GLU 6 N 0.43 0.00 -0.18 1.25 4.57 -1.88 -0.23 114.58 118.54 2kax h GLU 6 Ca 0.04 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.25 2kax h GLU 6 Cb 0.88 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 2kax h GLU 6 CO 0.08 0.18 0.12 0.87 -1.18 0.00 0.00 179.01 179.08 2kax h LYS 7 N 0.00 0.12 -0.07 1.92 6.56 -0.59 0.20 116.57 124.72 2kax h LYS 7 Ca -0.00 -0.01 -0.11 0.00 -1.06 0.00 0.00 60.65 59.47 2kax h LYS 7 Cb 0.33 -0.03 0.01 0.00 -0.57 0.00 0.00 32.23 31.97 2kax h LYS 7 CO 0.02 0.08 -0.40 0.00 -2.06 0.00 0.00 179.45 177.09 2kax h ALA 8 N 1.90 0.14 0.10 3.86 0.00 -0.96 -2.07 119.26 122.22 2kax h ALA 8 Ca 0.08 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2kax h ALA 8 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2kax h ALA 8 CO -0.01 0.26 -0.05 -0.07 0.00 0.00 0.00 179.25 179.38 2kax h LEU 9 N -0.09 -0.11 -0.44 0.00 -0.00 -1.00 -0.32 115.31 113.35 2kax h LEU 9 Ca -0.03 -0.25 0.09 0.00 -0.00 0.00 0.00 57.88 57.69 2kax h LEU 9 Cb 1.06 0.03 -0.09 0.00 -0.00 0.00 0.00 40.66 41.66 2kax h LEU 9 CO 0.08 0.19 -0.15 0.74 -0.00 0.00 0.00 178.44 179.31 2kax h THR 10 N -0.42 0.49 -0.46 0.22 2.02 -0.74 0.21 112.91 114.23 2kax h THR 10 Ca -0.01 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 2kax h THR 10 Cb 0.35 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 2kax h THR 10 CO 0.02 0.00 0.05 0.74 0.37 0.00 0.00 175.52 176.70 2kax h THR 11 N -0.05 1.25 0.45 3.16 2.02 -1.32 -0.78 112.91 117.64 2kax h THR 11 Ca 0.21 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 2kax h THR 11 Cb 0.37 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2kax h THR 11 CO -0.47 0.34 -0.35 0.24 0.37 0.00 0.00 175.52 175.64 2kax h MET 12 N 0.65 -0.77 -0.56 6.66 2.07 -0.54 -1.83 114.93 120.61 2kax h MET 12 Ca 0.14 0.05 -0.03 0.00 -2.07 0.00 0.00 59.70 57.79 2kax h MET 12 Cb 0.43 0.17 -0.03 0.00 -1.87 0.00 0.00 31.60 30.31 2kax h MET 12 CO 0.01 -0.51 0.22 -0.39 1.07 0.00 0.00 176.91 177.31 2kax h VAL 13 N -0.80 1.20 0.07 -2.22 -1.51 -0.51 -0.09 116.25 112.40 2kax h VAL 13 Ca -0.04 -0.65 -0.00 0.00 -1.23 0.00 0.00 66.70 64.78 2kax h VAL 13 Cb 0.69 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.39 2kax h VAL 13 CO -0.00 0.25 -0.04 0.74 -1.23 0.00 0.00 177.57 177.29 2kax h THR 14 N 0.80 0.92 -0.08 7.19 2.02 -1.09 -1.07 112.91 121.60 2kax h THR 14 Ca 0.19 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.22 2kax h THR 14 Cb 0.17 0.92 0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2kax h THR 14 CO -0.02 0.00 -0.54 0.74 0.37 0.00 0.00 175.52 176.08 2kax h THR 15 N -0.10 1.37 -0.31 3.16 2.02 -0.86 -3.04 112.91 115.15 2kax h THR 15 Ca -0.01 -1.88 0.06 0.00 0.77 0.00 0.00 66.41 65.35 2kax h THR 15 Cb 0.08 2.26 -0.06 0.00 -1.74 0.00 0.00 68.15 68.70 2kax h THR 15 CO 0.01 0.56 -0.06 0.15 0.37 0.00 0.00 175.52 176.55 2kax h PHE 16 N 0.09 -0.14 -0.70 3.16 3.04 -1.09 -3.12 116.94 118.18 2kax h PHE 16 Ca -0.04 0.03 0.11 0.00 3.98 0.00 0.00 57.97 62.04 2kax h PHE 16 Cb 1.19 0.11 -0.08 0.00 2.56 0.00 0.00 35.95 39.73 2kax h PHE 16 CO 0.12 -0.12 0.31 1.25 -2.02 0.00 0.00 178.31 177.85 2kax h HIS 17 N 0.02 0.55 -0.42 0.41 2.76 -1.08 -1.30 115.15 116.08 2kax h HIS 17 Ca 0.15 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.47 2kax h HIS 17 Cb 0.22 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 2kax h HIS 17 CO -0.28 0.16 0.32 -0.22 -1.30 0.00 0.00 177.93 176.60 2kax h LYS 18 N 0.52 0.00 -0.00 5.26 3.11 -1.47 0.75 116.57 124.74 2kax h LYS 18 Ca 0.36 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.20 2kax h LYS 18 Cb 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.67 2kax h LYS 18 CO -0.31 0.00 -0.79 0.66 -2.81 0.00 0.00 179.45 176.20 2kax n TYR 19 N -4.32 0.00 -0.03 1.91 4.02 -0.54 -3.04 117.16 115.16 2kax n TYR 19 Ca 0.07 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.87 2kax n TYR 19 Cb 0.51 -0.10 -0.08 0.00 -0.02 0.00 0.00 39.34 39.66 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 0.03 -0.04 0.00 7.72 4.64 -0.51 -3.30 113.55 122.08 2kax h SER 20 Ca 0.00 -0.53 -0.05 0.00 -0.47 0.00 0.00 61.79 60.75 2kax h SER 20 Cb 0.50 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 2kax h SER 20 CO 0.00 0.69 -0.05 0.61 -0.87 0.00 0.00 176.83 177.21 2kax n GLY 21 N 1.41 2.12 0.06 -0.77 0.00 0.07 -3.12 105.19 104.97 2kax n GLY 21 Ca -0.06 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 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 2.47 0.01 0.00 1.61 0.11 -1.62 -3.46 114.38 113.50 2kax h ARG 22 Ca 0.05 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.12 2kax h ARG 22 Cb 0.85 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.94 2kax h ARG 22 CO 0.10 0.60 0.00 0.39 0.10 0.00 0.00 179.97 181.16 2kax n GLU 23 N -4.80 0.00 0.00 0.08 1.02 -1.25 -5.09 120.64 110.61 2kax n GLU 23 Ca -0.09 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.05 2kax n GLU 23 Cb 0.30 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.72 2kax n GLU 23 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2kax h GLY 24 N 0.00 -0.04 -2.83 0.62 0.00 -1.91 -3.50 103.07 95.40 2kax h GLY 24 Ca 0.00 0.02 0.28 0.00 0.00 0.00 0.00 47.33 47.63 2kax h GLY 24 CO 0.00 -0.02 0.75 -0.45 0.00 0.00 0.00 176.54 176.82 2kax s SER 25 N -3.72 -0.10 0.04 0.19 0.15 -1.18 -5.05 113.70 104.03 2kax s SER 25 Ca -0.01 -0.17 0.27 0.00 0.70 0.00 0.00 55.95 56.74 2kax s SER 25 Cb 0.00 0.23 0.79 0.00 -1.71 0.00 0.00 66.02 65.34 2kax s SER 25 CO 0.02 -0.42 1.63 0.29 1.20 0.00 0.00 173.24 175.96 2kax n LYS 26 N -0.43 0.07 -0.06 5.44 4.01 -1.26 -3.13 118.16 122.80 2kax n LYS 26 Ca -0.07 0.03 -0.05 0.00 -0.51 0.00 0.00 58.31 57.71 2kax n LYS 26 Cb 0.62 -1.56 -0.11 0.00 -0.51 0.00 0.00 35.03 33.47 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 -1.66 0.00 -4.18 -0.35 -0.00 -1.26 -4.81 117.00 104.74 2kax n LEU 27 Ca 0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.95 2kax n LEU 27 Cb 0.36 0.30 -0.10 0.00 -0.00 0.00 0.00 43.42 43.99 2kax n LEU 27 CO 0.32 0.30 -0.21 0.42 -0.00 0.00 0.00 177.39 178.22 2kax s THR 28 N -2.40 0.00 0.16 1.47 -4.23 -1.26 -4.54 115.64 104.84 2kax s THR 28 Ca -0.07 -1.95 -0.24 0.00 -1.18 0.00 0.00 61.69 58.26 2kax s THR 28 Cb 0.05 -2.46 0.06 0.00 1.34 0.00 0.00 72.50 71.49 2kax s THR 28 CO 0.56 -0.02 0.78 -1.48 -0.54 0.00 0.00 174.62 173.92 2kax s LEU 29 N -3.14 -0.35 0.32 4.79 2.34 -1.21 -4.43 118.68 116.99 2kax s LEU 29 Ca 0.37 -0.26 -0.29 0.00 0.06 0.00 0.00 54.13 54.01 2kax s LEU 29 Cb 0.06 2.41 -0.10 0.00 -0.56 0.00 0.00 46.19 48.00 2kax s LEU 29 CO 0.11 -0.99 1.38 -0.44 -1.06 0.00 0.00 176.35 175.35 2kax s SER 30 N -2.79 6.65 0.62 1.48 0.01 -1.26 -1.06 113.70 117.35 2kax s SER 30 Ca 0.07 2.76 0.25 0.00 1.31 0.00 0.00 55.95 60.34 2kax s SER 30 Cb -0.02 -2.65 1.20 0.00 0.21 0.00 0.00 66.02 64.76 2kax s SER 30 CO -0.03 -0.65 1.65 -0.09 0.41 0.00 0.00 173.24 174.53 2kax h ARG 31 N 3.72 0.00 0.00 12.44 2.43 -0.82 0.60 114.38 132.76 2kax h ARG 31 Ca -0.49 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.54 2kax h ARG 31 Cb 1.23 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 2kax h ARG 31 CO 0.68 0.00 -0.86 -0.22 -1.51 0.00 0.00 179.97 178.06 2kax h LYS 32 N 0.00 0.00 0.04 0.20 3.11 -0.40 -3.15 116.57 116.36 2kax h LYS 32 Ca 0.22 0.00 -0.23 0.00 -2.81 0.00 0.00 60.65 57.83 2kax h LYS 32 Cb 1.62 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.84 2kax h LYS 32 CO -0.00 0.53 -1.02 0.93 -2.81 0.00 0.00 179.45 177.08 2kax h GLU 33 N 0.00 0.27 -0.40 1.90 4.39 -1.15 -2.93 114.58 116.66 2kax h GLU 33 Ca -0.06 -0.34 0.08 0.00 0.34 0.00 0.00 59.36 59.38 2kax h GLU 33 Cb 1.52 0.11 -0.09 0.00 -0.10 0.00 0.00 28.75 30.20 2kax h GLU 33 CO 0.07 1.08 -0.21 1.25 -1.16 0.00 0.00 179.01 180.04 2kax h LEU 34 N 0.12 -0.72 -1.49 1.33 5.85 -1.56 -0.79 115.31 118.05 2kax h LEU 34 Ca -0.08 0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.89 2kax h LEU 34 Cb 1.69 0.38 -0.04 0.00 0.37 0.00 0.00 40.66 43.06 2kax h LEU 34 CO 0.16 -0.24 0.45 0.50 -0.34 0.00 0.00 178.44 178.97 2kax h LYS 35 N -0.14 0.56 0.11 1.25 3.11 -1.50 -2.13 116.57 117.83 2kax h LYS 35 Ca 0.19 -0.03 -0.30 0.00 -2.81 0.00 0.00 60.65 57.70 2kax h LYS 35 Cb 0.44 -0.13 0.03 0.00 -1.00 0.00 0.00 32.23 31.58 2kax h LYS 35 CO -0.49 0.37 -1.24 1.49 -2.81 0.00 0.00 179.45 176.77 2kax h GLU 36 N 0.58 0.63 -0.45 1.90 4.57 -1.12 -2.77 114.58 117.93 2kax h GLU 36 Ca 0.31 -0.84 0.08 0.00 -1.18 0.00 0.00 59.36 57.73 2kax h GLU 36 Cb 0.45 0.27 -0.07 0.00 -0.16 0.00 0.00 28.75 29.24 2kax h GLU 36 CO -0.10 1.38 0.05 1.25 -1.18 0.00 0.00 179.01 180.41 2kax h LEU 37 N 0.29 -0.09 -1.36 1.64 5.85 -1.02 -2.40 115.31 118.22 2kax h LEU 37 Ca -0.19 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2kax h LEU 37 Cb 1.91 0.15 0.00 0.00 0.37 0.00 0.00 40.66 43.09 2kax h LEU 37 CO 0.24 -0.01 0.00 0.40 -0.34 0.00 0.00 178.44 178.72 2kax h ILE 38 N 0.17 0.00 -0.26 4.05 2.04 -1.32 -0.58 117.51 121.61 2kax h ILE 38 Ca 0.23 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.93 2kax h ILE 38 Cb 0.31 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 2kax h ILE 38 CO -0.33 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.11 2kax n LYS 39 N -2.47 2.11 0.00 2.37 4.76 -1.04 -4.16 118.16 119.73 2kax n LYS 39 Ca -0.00 -1.82 0.00 0.00 -2.87 0.00 0.00 58.31 53.62 2kax n LYS 39 Cb 0.15 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 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 0.68 0.00 0.00 1.97 5.02 -0.69 -4.75 118.16 120.39 2kax n LYS 40 Ca 0.11 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.23 2kax n LYS 40 Cb 0.40 -0.65 -0.13 0.00 -0.02 0.00 0.00 35.03 34.64 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 0.25 -5.83 1.97 -0.00 -1.40 -3.46 114.58 106.12 2kax h GLU 41 Ca 0.00 -0.33 -0.62 0.00 -0.00 0.00 0.00 59.36 58.41 2kax h GLU 41 Cb 0.74 0.11 -0.07 0.00 -0.00 0.00 0.00 28.75 29.54 2kax h GLU 41 CO 0.00 1.08 -0.29 -1.17 -0.00 0.00 0.00 179.01 178.63 2kax s LEU 42 N -8.23 4.41 -0.15 3.06 0.20 -1.17 -5.02 118.68 111.78 2kax s LEU 42 Ca -0.15 0.76 -0.17 0.00 0.69 0.00 0.00 54.13 55.27 2kax s LEU 42 Cb 0.01 -2.42 -0.14 0.00 -0.43 0.00 0.00 46.19 43.21 2kax s LEU 42 CO 0.78 0.30 0.28 0.00 -0.29 0.00 0.00 176.35 177.42 2kax n LEU 44 N -4.60 0.93 0.00 0.00 4.32 -1.26 -4.72 117.00 111.67 2kax n LEU 44 Ca -0.13 -0.17 0.00 0.00 -0.02 0.00 0.00 56.01 55.69 2kax n LEU 44 Cb 0.39 -1.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.03 2kax n LEU 44 CO 0.18 -1.13 0.23 0.61 -1.22 0.00 0.00 177.39 176.06 2kax n GLY 45 N 6.28 -1.82 0.53 -0.72 0.00 -1.26 -4.85 105.19 103.36 2kax n GLY 45 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.04 0.00 0.20 1.61 0.00 -1.26 -4.44 120.64 116.71 2kax n GLU 46 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.21 2kax n GLU 46 Cb 0.43 -0.06 0.40 0.00 0.00 0.00 0.00 31.44 32.21 2kax n GLU 46 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.13 179.11 2kax h MET 47 N 0.00 0.00 0.00 3.44 -1.53 -1.93 -3.36 114.93 111.55 2kax h MET 47 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 2kax h MET 47 Cb 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.05 2kax h MET 47 CO 0.00 0.34 -0.76 1.63 0.14 0.00 0.00 176.91 178.26 2kax n LYS 48 N -3.78 2.12 0.00 0.39 4.76 -1.26 -5.13 118.16 115.25 2kax n LYS 48 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2kax n LYS 48 Cb 0.43 -0.88 0.00 0.00 -1.84 0.00 0.00 35.03 32.74 2kax n LYS 48 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2kax n GLU 49 N -1.36 0.00 0.18 1.97 0.00 -1.26 -4.45 120.64 115.72 2kax n GLU 49 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 57.16 57.34 2kax n GLU 49 Cb 0.16 0.00 0.73 0.00 0.00 0.00 0.00 31.44 32.33 2kax n GLU 49 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 2kax h SER 50 N 8.79 0.00 -0.08 4.31 0.02 -1.96 -0.20 113.55 124.43 2kax h SER 50 Ca 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 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 0.10 0.28 -1.14 0.00 0.00 176.83 176.07 2kax h SER 51 N 0.00 0.00 1.74 3.07 0.02 -1.88 -0.52 113.55 115.98 2kax h SER 51 Ca 0.13 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 2kax h SER 51 Cb 1.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 2kax h SER 51 CO -0.00 0.00 -0.26 0.16 -1.14 0.00 0.00 176.83 175.59 2kax h ILE 52 N 0.00 0.27 0.00 3.27 -0.00 -1.33 -3.39 117.51 116.34 2kax h ILE 52 Ca 0.04 -1.39 -0.28 0.00 -0.00 0.00 0.00 64.86 63.22 2kax h ILE 52 Cb 0.25 2.09 -0.05 0.00 -0.00 0.00 0.00 36.82 39.11 2kax h ILE 52 CO -0.00 0.16 -1.86 -0.67 -0.00 0.00 0.00 178.15 175.78 2kax n ASP 53 N -3.10 0.59 -0.23 2.16 2.03 -0.22 -0.99 116.55 116.79 2kax n ASP 53 Ca 0.03 0.27 0.03 0.00 0.52 0.00 0.00 54.79 55.64 2kax n ASP 53 Cb 0.60 0.36 0.15 0.00 -0.72 0.00 0.00 41.12 41.51 2kax n ASP 53 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2kax h ASP 54 N 0.00 0.20 -0.31 1.67 3.58 -1.72 0.31 116.42 120.14 2kax h ASP 54 Ca -0.33 0.10 -0.10 0.00 0.42 0.00 0.00 57.03 57.13 2kax h ASP 54 Cb 1.96 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 43.10 2kax h ASP 54 CO 0.06 0.09 -0.19 -0.07 -2.88 0.00 0.00 179.24 176.25 2kax h LEU 55 N 0.39 0.71 -0.54 2.28 3.38 -1.73 -0.54 115.31 119.25 2kax h LEU 55 Ca 0.36 -0.42 0.10 0.00 0.09 0.00 0.00 57.88 58.01 2kax h LEU 55 Cb 0.52 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.99 2kax h LEU 55 CO -0.38 0.98 0.06 0.24 0.09 0.00 0.00 178.44 179.44 2kax h MET 56 N 0.44 0.18 -0.56 1.13 2.86 -0.77 -2.06 114.93 116.15 2kax h MET 56 Ca 0.07 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 2kax h MET 56 Cb 0.73 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.32 2kax h MET 56 CO 0.05 0.12 0.20 0.87 1.06 0.00 0.00 176.91 179.22 2kax h LYS 57 N 0.19 0.82 -0.56 1.72 6.56 -0.58 -1.06 116.57 123.66 2kax h LYS 57 Ca 0.28 -0.13 -0.05 0.00 -1.06 0.00 0.00 60.65 59.69 2kax h LYS 57 Cb 0.42 -0.14 -0.03 0.00 -0.57 0.00 0.00 32.23 31.91 2kax h LYS 57 CO -0.40 0.69 0.15 1.03 -2.06 0.00 0.00 179.45 178.86 2kax h SER 58 N 0.81 0.79 0.08 0.86 0.87 -0.42 -1.40 113.55 115.15 2kax h SER 58 Ca 0.19 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2kax h SER 58 Cb 0.19 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2kax h SER 58 CO -0.01 0.76 -0.04 -0.07 -0.53 0.00 0.00 176.83 176.94 2kax h LEU 59 N 0.83 -0.09 -0.88 2.23 3.38 -1.05 -3.32 115.31 116.40 2kax h LEU 59 Ca 0.18 -0.43 0.24 0.00 0.09 0.00 0.00 57.88 57.96 2kax h LEU 59 Cb 0.27 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 40.90 2kax h LEU 59 CO -0.00 0.41 0.20 -0.78 0.09 0.00 0.00 178.44 178.35 2kax h ASP 60 N -0.62 -0.09 -0.70 -0.43 1.82 -1.07 -1.06 116.42 114.27 2kax h ASP 60 Ca -0.01 0.21 0.14 0.00 -0.39 0.00 0.00 57.03 56.98 2kax h ASP 60 Cb 0.51 0.30 -0.04 0.00 0.68 0.00 0.00 39.33 40.78 2kax h ASP 60 CO 0.02 -0.19 0.47 0.11 -1.61 0.00 0.00 179.24 178.04 2kax h LYS 61 N 0.17 0.36 0.00 0.28 1.79 -1.35 -3.33 116.57 114.48 2kax h LYS 61 Ca 0.55 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.00 2kax h LYS 61 Cb 1.12 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2kax h LYS 61 CO -0.69 0.24 -0.25 0.09 -1.08 0.00 0.00 179.45 177.75 2kax n ASN 62 N -4.47 1.26 0.00 0.86 4.13 -1.17 -5.07 115.26 110.81 2kax n ASN 62 Ca 0.13 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.39 2kax n ASN 62 Cb 0.51 0.16 0.00 0.00 -1.54 0.00 0.00 39.78 38.91 2kax n ASN 62 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2kax n SER 63 N -0.73 0.00 -0.51 6.41 7.64 -0.41 -4.04 113.62 121.98 2kax n SER 63 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.91 2kax n SER 63 Cb 0.09 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.33 2kax n SER 63 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kax n ASP 64 N 0.58 0.71 -4.48 6.43 8.00 -1.26 0.34 116.55 126.86 2kax n ASP 64 Ca 0.00 -2.32 -0.46 0.00 0.71 0.00 0.00 54.79 52.71 2kax n ASP 64 Cb 0.00 -0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 40.80 2kax n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kax n GLN 65 N -0.32 0.61 -2.60 -1.24 6.02 -1.26 -4.87 117.38 113.72 2kax n GLN 65 Ca 0.05 0.21 -0.35 0.00 -0.01 0.00 0.00 57.00 56.90 2kax n GLN 65 Cb 0.73 -1.38 -0.04 0.00 1.02 0.00 0.00 30.24 30.57 2kax n GLN 65 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2kax s GLU 66 N -1.25 4.07 0.03 -1.09 2.02 -1.26 -1.22 118.70 120.00 2kax s GLU 66 Ca 0.62 1.39 0.07 0.00 0.02 0.00 0.00 54.97 57.07 2kax s GLU 66 Cb -0.83 -2.35 -0.02 0.00 0.10 0.00 0.00 34.13 31.03 2kax s GLU 66 CO 0.58 -0.20 -0.22 0.96 0.02 0.00 0.00 175.26 176.40 2kax s ILE 67 N -1.84 1.75 -0.63 -1.63 -4.36 -0.23 -4.83 121.20 109.43 2kax s ILE 67 Ca 0.61 -1.14 0.01 0.00 -0.26 0.00 0.00 60.65 59.87 2kax s ILE 67 Cb -0.18 -1.49 0.41 0.00 1.25 0.00 0.00 42.46 42.45 2kax s ILE 67 CO 0.22 0.31 1.69 -0.90 0.24 0.00 0.00 174.94 176.51 2kax n ASP 68 N 2.05 6.53 0.00 4.36 5.75 -1.26 -3.28 116.55 130.70 2kax n ASP 68 Ca -0.17 -3.79 0.00 0.00 -0.01 0.00 0.00 54.79 50.83 2kax n ASP 68 Cb 0.53 -0.79 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 2kax n ASP 68 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2kax n PHE 69 N -0.64 0.00 -0.09 2.11 7.35 -1.26 -4.81 117.46 120.11 2kax n PHE 69 Ca 0.51 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 57.01 2kax n PHE 69 Cb 0.55 -0.31 -0.12 0.00 0.35 0.00 0.00 39.48 39.95 2kax n PHE 69 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 2kax h LYS 70 N 1.26 0.00 -0.97 -4.13 3.64 -1.98 -2.06 116.57 112.32 2kax h LYS 70 Ca 0.00 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 2kax h LYS 70 Cb 0.00 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.74 2kax h LYS 70 CO 0.00 0.97 0.62 0.93 -2.27 0.00 0.00 179.45 179.70 2kax h GLU 71 N -1.00 0.97 0.16 1.90 5.08 -1.95 -1.48 114.58 118.26 2kax h GLU 71 Ca -0.24 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.07 2kax h GLU 71 Cb 1.19 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 2kax h GLU 71 CO -0.15 0.64 -0.22 -0.92 -1.00 0.00 0.00 179.01 177.37 2kax h TYR 72 N 1.00 -0.58 -0.36 4.33 5.03 -1.94 -0.01 116.97 124.44 2kax h TYR 72 Ca 0.46 0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.66 2kax h TYR 72 Cb 0.40 0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.91 2kax h TYR 72 CO -0.00 -0.32 -0.22 0.66 -1.32 0.00 0.00 178.16 176.96 2kax h SER 73 N -0.43 0.82 0.08 -2.11 4.64 -0.90 -0.27 113.55 115.39 2kax h SER 73 Ca 0.02 -0.42 -0.14 0.00 -0.47 0.00 0.00 61.79 60.77 2kax h SER 73 Cb 0.43 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 2kax h SER 73 CO -0.09 1.07 -0.50 -0.37 -0.87 0.00 0.00 176.83 176.06 2kax h VAL 74 N 0.58 1.32 -0.15 0.95 -1.51 -1.28 -1.03 116.25 115.14 2kax h VAL 74 Ca 0.08 -1.73 -0.11 0.00 -1.23 0.00 0.00 66.70 63.70 2kax h VAL 74 Cb 0.78 1.74 0.00 0.00 -2.13 0.00 0.00 31.29 31.68 2kax h VAL 74 CO 0.06 0.53 -0.35 0.15 -1.23 0.00 0.00 177.57 176.74 2kax h PHE 75 N 0.37 0.63 -0.76 5.19 3.04 -0.94 -0.56 116.94 123.91 2kax h PHE 75 Ca 0.02 -0.24 -0.02 0.00 3.98 0.00 0.00 57.97 61.71 2kax h PHE 75 Cb 1.01 -0.11 -0.04 0.00 2.56 0.00 0.00 35.95 39.37 2kax h PHE 75 CO 0.04 0.97 0.40 -0.07 -2.02 0.00 0.00 178.31 177.63 2kax h LEU 76 N 0.11 0.95 -0.46 0.59 3.38 -1.02 0.33 115.31 119.18 2kax h LEU 76 Ca -0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2kax h LEU 76 Cb 0.95 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2kax h LEU 76 CO 0.08 0.78 0.24 0.74 0.09 0.00 0.00 178.44 180.37 2kax h THR 77 N 1.05 1.18 -0.32 0.22 2.02 -1.21 0.37 112.91 116.21 2kax h THR 77 Ca 0.26 -0.48 -0.11 0.00 0.77 0.00 0.00 66.41 66.86 2kax h THR 77 Cb 0.05 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2kax h THR 77 CO -0.04 0.19 -0.24 -0.03 0.37 0.00 0.00 175.52 175.77 2kax h MET 78 N 0.60 0.62 -0.04 6.66 1.85 -0.72 -2.05 114.93 121.86 2kax h MET 78 Ca 0.16 -0.25 -0.03 0.00 -0.61 0.00 0.00 59.70 58.98 2kax h MET 78 Cb 0.09 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.09 2kax h MET 78 CO -0.02 0.81 -0.08 1.25 -0.40 0.00 0.00 176.91 178.47 2kax h LEU 79 N 0.54 0.14 -1.16 3.39 5.85 -0.22 -1.81 115.31 122.04 2kax h LEU 79 Ca 0.08 -0.57 0.01 0.00 0.84 0.00 0.00 57.88 58.23 2kax h LEU 79 Cb 0.71 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 2kax h LEU 79 CO 0.05 0.68 0.56 0.00 -0.34 0.00 0.00 178.44 179.39 2kax n MET 81 N -4.40 0.18 0.00 0.00 2.81 -0.77 -0.41 117.12 114.52 2kax n MET 81 Ca 0.10 0.39 0.09 0.00 -1.81 0.00 0.00 57.70 56.46 2kax n MET 81 Cb 0.03 -1.83 0.41 0.00 -0.71 0.00 0.00 33.22 31.12 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 -1.74 1.88 0.00 3.04 0.00 0.03 -4.07 120.51 119.64 2kax n ALA 82 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2kax n ALA 82 Cb 0.24 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.41 0.00 -2.06 0.00 0.18 -0.69 -4.80 117.16 108.38 2kax n TYR 83 Ca 0.06 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.46 2kax n TYR 83 Cb 0.18 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.11 2kax n TYR 83 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 2kax s ASN 84 N -0.04 5.29 0.00 9.48 0.01 0.45 -4.68 114.94 125.44 2kax s ASN 84 Ca 0.00 0.31 0.00 0.00 -0.71 0.00 0.00 52.86 52.46 2kax s ASN 84 Cb 0.00 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.13 2kax s ASN 84 CO 0.00 -2.37 0.00 0.47 -1.51 0.00 0.00 177.10 173.69 2kax n ASP 85 N 12.67 3.99 -3.68 -1.22 8.00 -1.26 -4.85 116.55 130.19 2kax n ASP 85 Ca 0.20 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.28 2kax n ASP 85 Cb 0.52 0.10 -0.01 0.00 -0.02 0.00 0.00 41.12 41.71 2kax n ASP 85 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2kax n PHE 86 N -2.34 3.17 0.00 1.24 7.35 -1.26 -1.72 117.46 123.89 2kax n PHE 86 Ca 0.00 -2.79 0.00 0.00 -0.76 0.00 0.00 57.45 53.90 2kax n PHE 86 Cb 0.47 -2.41 0.00 0.00 0.35 0.00 0.00 39.48 37.90 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 6.13 0.00 -1.60 -5.13 -1.74 -1.26 -5.12 117.46 108.74 2kax n PHE 87 Ca 0.53 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 57.12 2kax n PHE 87 Cb 0.38 0.00 0.07 0.00 1.52 0.00 0.00 39.48 41.45 2kax n PHE 87 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2kax s LEU 88 N -0.13 2.77 -0.14 5.98 2.01 -0.70 -5.03 118.68 123.43 2kax s LEU 88 Ca 0.00 1.36 0.17 0.00 0.01 0.00 0.00 54.13 55.67 2kax s LEU 88 Cb 0.00 -4.06 -0.25 0.00 0.01 0.00 0.00 46.19 41.89 2kax s LEU 88 CO 0.00 -1.76 0.15 -1.84 1.01 0.00 0.00 176.35 173.92 2kax n GLU 89 N -3.30 0.91 -3.70 1.70 0.00 -1.26 -5.04 120.64 109.95 2kax n GLU 89 Ca 0.07 -0.05 -0.17 0.00 0.00 0.00 0.00 57.16 57.01 2kax n GLU 89 Cb 0.56 -1.47 -0.05 0.00 0.00 0.00 0.00 31.44 30.47 2kax n GLU 89 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2kax n ASP 90 N -2.56 0.62 0.12 -1.84 -0.08 -1.26 -5.07 116.55 106.48 2kax n ASP 90 Ca -0.23 -2.58 0.11 0.00 -1.51 0.00 0.00 54.79 50.58 2kax n ASP 90 Cb 0.95 0.90 0.48 0.00 2.34 0.00 0.00 41.12 45.79 2kax n ASP 90 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2kax n ASN 91 N -1.79 0.58 0.00 1.67 3.02 -1.26 -5.09 115.26 112.39 2kax n ASN 91 Ca -0.01 0.67 0.00 0.00 -0.03 0.00 0.00 54.58 55.21 2kax n ASN 91 Cb 0.44 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 2kax n ASN 91 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93