#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 -0.40 0.03 0.00 -1.26 -5.13 120.64 113.87 2kax n GLU 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2kax n GLU 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 2kax n GLU 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2kax n THR 3 N 0.00 0.00 0.03 6.31 -2.24 -1.26 -5.06 114.28 112.06 2kax n THR 3 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 2kax n THR 3 Cb 0.00 -1.12 -0.13 0.00 -2.10 0.00 0.00 70.33 66.98 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 0.02 -0.59 -0.78 0.13 -2.01 -3.38 132.00 125.39 2kax h PRO 4 Ca 0.00 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 65.00 2kax h PRO 4 Cb 0.00 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.12 2kax h PRO 4 CO 0.00 0.80 -0.01 1.25 -0.23 0.00 0.00 178.00 179.81 2kax h LEU 5 N 0.00 1.02 -1.45 1.56 5.85 -2.02 -0.96 115.31 119.31 2kax h LEU 5 Ca -0.14 -0.31 0.20 0.00 0.84 0.00 0.00 57.88 58.46 2kax h LEU 5 Cb 1.89 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 42.57 2kax h LEU 5 CO 0.11 1.08 0.59 -0.08 -0.34 0.00 0.00 178.44 179.81 2kax h GLU 6 N 0.94 0.45 0.00 1.25 4.57 -1.99 -1.28 114.58 118.51 2kax h GLU 6 Ca 0.17 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 2kax h GLU 6 Cb 0.56 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2kax h GLU 6 CO 0.03 0.30 0.00 0.87 -1.18 0.00 0.00 179.01 179.03 2kax h LYS 7 N 0.46 0.00 -0.14 1.92 1.79 -1.35 0.16 116.57 119.42 2kax h LYS 7 Ca 0.47 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.89 2kax h LYS 7 Cb 1.10 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.75 2kax h LYS 7 CO -0.19 0.00 -0.11 0.00 -1.08 0.00 0.00 179.45 178.06 2kax h ALA 8 N 2.11 0.20 -0.64 3.86 0.00 -1.26 -2.56 119.26 120.97 2kax h ALA 8 Ca 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 2kax h ALA 8 Cb 0.30 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2kax h ALA 8 CO 0.00 0.05 0.06 -0.07 0.00 0.00 0.00 179.25 179.28 2kax h LEU 9 N -0.05 1.06 -0.06 0.00 -0.00 -0.84 -1.57 115.31 113.83 2kax h LEU 9 Ca 0.02 -0.28 0.03 0.00 -0.00 0.00 0.00 57.88 57.66 2kax h LEU 9 Cb 0.62 -0.28 -0.04 0.00 -0.00 0.00 0.00 40.66 40.96 2kax h LEU 9 CO 0.03 1.07 -0.17 0.74 -0.00 0.00 0.00 178.44 180.12 2kax h THR 10 N 1.01 0.58 -0.68 0.22 2.02 -0.90 0.54 112.91 115.70 2kax h THR 10 Ca 0.19 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.47 2kax h THR 10 Cb 0.50 0.58 -0.07 0.00 -1.74 0.00 0.00 68.15 67.41 2kax h THR 10 CO 0.02 0.00 0.31 0.74 0.37 0.00 0.00 175.52 176.96 2kax h THR 11 N -0.24 0.80 0.04 3.16 2.02 -1.22 0.11 112.91 117.58 2kax h THR 11 Ca 0.07 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 2kax h THR 11 Cb 0.35 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2kax h THR 11 CO -0.20 0.10 -0.02 -0.03 0.37 0.00 0.00 175.52 175.73 2kax h MET 12 N 0.53 -0.06 0.00 6.66 -1.53 -0.78 -1.67 114.93 118.07 2kax h MET 12 Ca 0.34 0.00 -0.08 0.00 -3.44 0.00 0.00 59.70 56.53 2kax h MET 12 Cb 0.40 0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.45 2kax h MET 12 CO -0.29 0.12 -0.38 -0.39 0.14 0.00 0.00 176.91 176.11 2kax h VAL 13 N -0.22 1.03 -0.04 -5.77 -1.51 -0.51 -0.50 116.25 108.73 2kax h VAL 13 Ca -0.01 -1.41 -0.02 0.00 -1.23 0.00 0.00 66.70 64.03 2kax h VAL 13 Cb 0.20 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 2kax h VAL 13 CO 0.01 0.37 -0.07 0.74 -1.23 0.00 0.00 177.57 177.39 2kax h THR 14 N 0.00 1.43 -0.34 7.19 2.02 -0.64 -0.70 112.91 121.87 2kax h THR 14 Ca -0.00 -1.38 -0.10 0.00 0.77 0.00 0.00 66.41 65.70 2kax h THR 14 Cb 0.78 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 69.44 2kax h THR 14 CO 0.05 0.37 -0.19 0.71 0.37 0.00 0.00 175.52 176.83 2kax h THR 15 N -0.40 1.26 -0.14 3.16 1.35 -1.32 -2.87 112.91 113.94 2kax h THR 15 Ca 0.00 -1.24 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 2kax h THR 15 Cb 0.64 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 68.27 2kax h THR 15 CO 0.02 0.41 0.09 0.15 -0.25 0.00 0.00 175.52 175.93 2kax h PHE 16 N 0.57 0.17 0.00 4.73 3.57 -1.07 -2.84 116.94 122.06 2kax h PHE 16 Ca 0.09 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2kax h PHE 16 Cb 0.65 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.33 2kax h PHE 16 CO 0.03 0.11 0.00 1.25 -2.23 0.00 0.00 178.31 177.46 2kax h HIS 17 N 0.19 0.00 0.00 0.41 2.76 -0.90 0.19 115.15 117.79 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 -0.01 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.95 2kax h HIS 17 CO -0.07 0.00 0.00 1.17 -1.30 0.00 0.00 177.93 177.73 2kax n LYS 18 N -2.34 0.06 0.00 5.26 4.81 -1.07 -4.09 118.16 120.78 2kax n LYS 18 Ca -0.00 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 2kax n LYS 18 Cb 0.10 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.65 2kax n LYS 18 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2kax n TYR 19 N -1.42 0.00 -2.88 5.64 4.02 -0.24 -4.85 117.16 117.43 2kax n TYR 19 Ca 0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.49 2kax n TYR 19 Cb 0.10 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.38 2kax n TYR 19 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2kax s SER 20 N -2.73 6.20 0.00 7.72 1.04 0.50 -4.40 113.70 122.03 2kax s SER 20 Ca 0.00 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.53 2kax s SER 20 Cb 0.00 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.71 2kax s SER 20 CO 0.00 -1.36 0.00 0.61 0.98 0.00 0.00 173.24 173.47 2kax n GLY 21 N 5.28 1.43 0.00 7.32 0.00 -0.22 -4.10 105.19 114.90 2kax n GLY 21 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2kax n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kax n ARG 22 N -1.09 0.00 0.09 1.61 1.74 -1.26 -4.57 116.66 113.17 2kax n ARG 22 Ca 0.00 0.03 -0.02 0.00 -0.77 0.00 0.00 57.85 57.10 2kax n ARG 22 Cb 0.00 -0.75 -0.05 0.00 -1.02 0.00 0.00 32.46 30.64 2kax n ARG 22 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2kax h GLU 23 N 0.00 0.00 -1.58 5.56 3.07 -1.97 -3.49 114.58 116.18 2kax h GLU 23 Ca 0.00 0.00 0.31 0.00 -0.50 0.00 0.00 59.36 59.17 2kax h GLU 23 Cb 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 27.80 2kax h GLU 23 CO 0.00 0.62 0.79 0.20 -1.40 0.00 0.00 179.01 179.22 2kax s GLY 24 N -4.64 -0.38 -0.32 -3.84 0.00 -1.26 -5.14 107.32 91.75 2kax s GLY 24 Ca 0.01 0.60 -0.08 0.00 0.00 0.00 0.00 44.72 45.25 2kax s GLY 24 CO 0.78 0.36 0.30 1.44 0.00 0.00 0.00 173.10 175.99 2kax n SER 25 N -0.52 -6.93 -0.86 1.64 7.64 -1.26 -1.06 113.62 112.27 2kax n SER 25 Ca -0.08 0.73 -0.00 0.00 1.01 0.00 0.00 58.87 60.52 2kax n SER 25 Cb 0.62 -4.60 0.05 0.00 -1.01 0.00 0.00 64.21 59.27 2kax n SER 25 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2kax n LYS 26 N 0.01 1.44 0.00 1.43 2.85 -1.26 -1.49 118.16 121.14 2kax n LYS 26 Ca 0.06 -0.46 0.00 0.00 -1.05 0.00 0.00 58.31 56.86 2kax n LYS 26 Cb 0.23 -1.47 0.00 0.00 -0.65 0.00 0.00 35.03 33.15 2kax n LYS 26 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 2kax n LEU 27 N 0.15 0.00 -4.14 -5.58 -0.00 -1.26 -4.79 117.00 101.37 2kax n LEU 27 Ca 0.06 -0.37 -0.11 0.00 -0.00 0.00 0.00 56.01 55.59 2kax n LEU 27 Cb 0.48 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.81 2kax n LEU 27 CO 0.06 0.44 -0.23 0.42 -0.00 0.00 0.00 177.39 178.08 2kax s THR 28 N 0.00 0.06 0.32 1.47 -4.23 -1.22 -4.04 115.64 107.99 2kax s THR 28 Ca 0.00 -1.87 -0.16 0.00 -1.18 0.00 0.00 61.69 58.48 2kax s THR 28 Cb 0.00 -2.21 0.03 0.00 1.34 0.00 0.00 72.50 71.66 2kax s THR 28 CO 0.00 -0.25 0.68 -1.48 -0.54 0.00 0.00 174.62 173.02 2kax s LEU 29 N -3.08 0.05 0.45 4.79 2.34 -0.61 -4.08 118.68 118.53 2kax s LEU 29 Ca 0.29 -0.93 -0.04 0.00 0.06 0.00 0.00 54.13 53.52 2kax s LEU 29 Cb 0.07 2.48 -0.03 0.00 -0.56 0.00 0.00 46.19 48.14 2kax s LEU 29 CO 0.06 -1.42 0.72 -0.94 -1.06 0.00 0.00 176.35 173.71 2kax s SER 30 N -3.02 6.26 0.30 1.48 1.04 -1.26 -0.81 113.70 117.69 2kax s SER 30 Ca 0.16 0.79 -0.01 0.00 0.48 0.00 0.00 55.95 57.38 2kax s SER 30 Cb -0.04 -2.17 0.48 0.00 0.10 0.00 0.00 66.02 64.38 2kax s SER 30 CO 0.10 -0.51 1.92 0.03 0.98 0.00 0.00 173.24 175.76 2kax h ARG 31 N 0.36 0.91 -0.76 4.02 3.08 -0.90 -0.28 114.38 120.81 2kax h ARG 31 Ca -0.48 -0.11 0.06 0.00 0.07 0.00 0.00 59.98 59.52 2kax h ARG 31 Cb 1.21 -0.18 -0.06 0.00 0.08 0.00 0.00 29.97 31.03 2kax h ARG 31 CO 0.61 0.69 0.45 0.87 -1.07 0.00 0.00 179.97 181.53 2kax h LYS 32 N 0.91 0.81 -0.06 0.04 1.79 -1.28 -2.94 116.57 115.85 2kax h LYS 32 Ca 0.23 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.61 2kax h LYS 32 Cb 0.06 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.53 2kax h LYS 32 CO -0.03 0.53 -0.13 1.49 -1.08 0.00 0.00 179.45 180.23 2kax h GLU 33 N 0.83 0.20 -0.64 3.15 4.57 -1.50 -3.01 114.58 118.18 2kax h GLU 33 Ca 0.33 -0.13 0.13 0.00 -1.18 0.00 0.00 59.36 58.51 2kax h GLU 33 Cb 0.17 0.02 -0.12 0.00 -0.16 0.00 0.00 28.75 28.66 2kax h GLU 33 CO -0.17 0.73 -0.14 1.25 -1.18 0.00 0.00 179.01 179.49 2kax h LEU 34 N -0.30 -0.56 -1.37 1.64 5.85 -1.15 0.57 115.31 119.98 2kax h LEU 34 Ca 0.00 0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.99 2kax h LEU 34 Cb 0.72 0.39 -0.05 0.00 0.37 0.00 0.00 40.66 42.09 2kax h LEU 34 CO 0.03 -0.20 0.49 0.50 -0.34 0.00 0.00 178.44 178.92 2kax h LYS 35 N 0.01 0.71 0.16 1.25 3.11 -1.50 -2.22 116.57 118.09 2kax h LYS 35 Ca 0.31 -0.04 -0.32 0.00 -2.81 0.00 0.00 60.65 57.79 2kax h LYS 35 Cb 0.48 -0.16 0.01 0.00 -1.00 0.00 0.00 32.23 31.56 2kax h LYS 35 CO -0.65 0.47 -1.53 1.49 -2.81 0.00 0.00 179.45 176.42 2kax h GLU 36 N 0.73 0.35 -0.24 1.90 4.57 -0.84 -2.40 114.58 118.65 2kax h GLU 36 Ca 0.34 -0.59 0.06 0.00 -1.18 0.00 0.00 59.36 57.98 2kax h GLU 36 Cb 0.36 0.22 -0.07 0.00 -0.16 0.00 0.00 28.75 29.10 2kax h GLU 36 CO -0.12 1.25 -0.31 1.25 -1.18 0.00 0.00 179.01 179.90 2kax h LEU 37 N 0.09 -0.99 -0.98 1.64 5.85 -0.88 -1.61 115.31 118.44 2kax h LEU 37 Ca -0.25 0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 2kax h LEU 37 Cb 2.06 0.44 -0.03 0.00 0.37 0.00 0.00 40.66 43.51 2kax h LEU 37 CO 0.20 -0.33 0.22 0.40 -0.34 0.00 0.00 178.44 178.58 2kax h ILE 38 N -0.32 1.23 0.00 4.05 2.04 -1.45 -0.35 117.51 122.71 2kax h ILE 38 Ca 0.13 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.20 2kax h ILE 38 Cb 0.53 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2kax h ILE 38 CO -0.42 0.31 0.00 0.29 0.00 0.00 0.00 178.15 178.33 2kax n LYS 39 N -4.29 0.04 -0.08 2.37 4.76 -0.90 -2.30 118.16 117.76 2kax n LYS 39 Ca 0.05 0.19 -0.15 0.00 -2.87 0.00 0.00 58.31 55.53 2kax n LYS 39 Cb 0.20 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 31.82 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 -1.47 0.37 0.04 1.97 4.01 -0.65 -4.80 118.16 117.63 2kax n LYS 40 Ca 0.05 0.13 0.12 0.00 -0.51 0.00 0.00 58.31 58.10 2kax n LYS 40 Cb 0.19 -1.20 0.21 0.00 -0.51 0.00 0.00 35.03 33.73 2kax n LYS 40 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2kax n GLU 41 N -3.40 0.19 -3.62 1.97 -0.58 -0.18 -4.66 120.64 110.36 2kax n GLU 41 Ca -0.31 0.06 -0.20 0.00 -0.42 0.00 0.00 57.16 56.29 2kax n GLU 41 Cb 0.76 -1.62 -0.01 0.00 -0.57 0.00 0.00 31.44 30.00 2kax n GLU 41 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2kax s LEU 42 N -3.81 3.98 0.00 -4.62 2.01 -0.97 -5.06 118.68 110.20 2kax s LEU 42 Ca 0.08 -0.19 0.00 0.00 0.01 0.00 0.00 54.13 54.03 2kax s LEU 42 Cb 0.15 -2.69 0.00 0.00 0.01 0.00 0.00 46.19 43.66 2kax s LEU 42 CO 0.71 -0.34 0.00 0.00 1.01 0.00 0.00 176.35 177.72 2kax n LEU 44 N -2.21 0.00 -1.25 0.00 -0.00 -1.26 -4.64 117.00 107.64 2kax n LEU 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2kax n LEU 44 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2kax n LEU 44 CO 0.00 0.00 0.47 0.61 -0.00 0.00 0.00 177.39 178.47 2kax n GLY 45 N -0.19 1.55 0.05 1.47 0.00 -1.26 -3.02 105.19 103.79 2kax n GLY 45 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 1.04 0.00 0.00 1.61 0.28 -1.26 -5.04 120.64 117.27 2kax n GLU 46 Ca 0.00 -0.07 0.03 0.00 -0.16 0.00 0.00 57.16 56.96 2kax n GLU 46 Cb 0.34 -0.07 0.19 0.00 1.43 0.00 0.00 31.44 33.33 2kax n GLU 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kax n MET 47 N 0.00 0.17 -3.49 3.44 0.00 -1.17 -4.76 117.12 111.31 2kax n MET 47 Ca 0.00 0.10 -0.38 0.00 0.00 0.00 0.00 57.70 57.42 2kax n MET 47 Cb 0.50 -1.50 -0.06 0.00 0.00 0.00 0.00 33.22 32.16 2kax n MET 47 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2kax s LYS 48 N -2.24 3.96 0.11 3.17 -0.14 -1.26 -5.08 119.74 118.25 2kax s LYS 48 Ca 0.09 0.41 -0.31 0.00 -1.36 0.00 0.00 55.97 54.80 2kax s LYS 48 Cb 0.05 -3.24 -0.08 0.00 -1.68 0.00 0.00 37.83 32.87 2kax s LYS 48 CO 0.09 0.65 1.48 -1.21 -0.76 0.00 0.00 175.35 175.60 2kax s GLU 49 N -0.94 4.27 0.10 1.68 2.02 -1.26 -4.60 118.70 119.97 2kax s GLU 49 Ca 0.24 2.18 0.00 0.00 0.02 0.00 0.00 54.97 57.41 2kax s GLU 49 Cb -0.17 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.75 2kax s GLU 49 CO 0.13 -0.55 0.00 0.43 0.02 0.00 0.00 175.26 175.29 2kax n SER 50 N 4.38 -1.33 0.00 -0.19 7.64 -1.26 -4.86 113.62 117.99 2kax n SER 50 Ca 0.13 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.28 2kax n SER 50 Cb 0.41 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 2kax n SER 50 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2kax n SER 51 N -2.07 0.00 -0.18 6.43 3.41 -1.26 -4.54 113.62 115.41 2kax n SER 51 Ca -0.01 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.62 2kax n SER 51 Cb 0.10 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.34 2kax n SER 51 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 2kax h ILE 52 N 0.00 1.14 0.00 -1.33 -0.00 -1.89 -0.88 117.51 114.55 2kax h ILE 52 Ca 0.00 -0.31 -0.19 0.00 -0.00 0.00 0.00 64.86 64.35 2kax h ILE 52 Cb 0.00 0.16 -0.03 0.00 -0.00 0.00 0.00 36.82 36.95 2kax h ILE 52 CO 0.00 0.17 -0.93 -0.78 -0.00 0.00 0.00 178.15 176.61 2kax h ASP 53 N 0.91 0.00 -0.07 2.16 3.58 -1.90 -0.50 116.42 120.60 2kax h ASP 53 Ca 0.27 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.72 2kax h ASP 53 Cb -0.03 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.02 2kax h ASP 53 CO -0.07 0.93 0.02 -0.78 -2.88 0.00 0.00 179.24 176.46 2kax h ASP 54 N 0.00 0.09 0.52 2.28 1.82 -1.81 -1.48 116.42 117.85 2kax h ASP 54 Ca -0.01 -0.18 -0.17 0.00 -0.39 0.00 0.00 57.03 56.28 2kax h ASP 54 Cb 1.68 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 41.66 2kax h ASP 54 CO 0.12 0.25 -0.75 -0.07 -1.61 0.00 0.00 179.24 177.18 2kax h LEU 55 N -0.07 0.22 0.14 2.28 3.38 -1.13 0.50 115.31 120.64 2kax h LEU 55 Ca 0.02 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.85 2kax h LEU 55 Cb 0.18 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2kax h LEU 55 CO -0.00 0.89 -0.24 0.24 0.09 0.00 0.00 178.44 179.41 2kax h MET 56 N 0.12 -0.44 0.00 1.13 2.86 -1.15 -3.27 114.93 114.18 2kax h MET 56 Ca -0.02 0.03 -0.20 0.00 -2.06 0.00 0.00 59.70 57.45 2kax h MET 56 Cb 1.32 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 33.05 2kax h MET 56 CO 0.11 -0.29 -0.94 -0.22 1.06 0.00 0.00 176.91 176.63 2kax h LYS 57 N -0.46 0.00 0.00 1.72 1.63 -0.56 -3.23 116.57 115.67 2kax h LYS 57 Ca 0.02 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.67 2kax h LYS 57 Cb 0.47 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 2kax h LYS 57 CO -0.13 0.94 -0.71 0.66 -3.45 0.00 0.00 179.45 176.76 2kax h SER 58 N 0.00 0.00 -0.30 4.20 4.64 -0.13 -2.27 113.55 119.69 2kax h SER 58 Ca -0.01 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 2kax h SER 58 Cb 1.69 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.77 2kax h SER 58 CO 0.12 0.71 -0.07 -0.07 -0.87 0.00 0.00 176.83 176.65 2kax h LEU 59 N 0.00 0.58 -2.71 5.97 3.38 -1.67 -3.26 115.31 117.59 2kax h LEU 59 Ca -0.01 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2kax h LEU 59 Cb 1.31 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2kax h LEU 59 CO 0.09 0.81 0.00 -0.78 0.09 0.00 0.00 178.44 178.65 2kax h ASP 60 N 0.34 0.00 0.01 -0.43 3.58 -1.49 -0.84 116.42 117.59 2kax h ASP 60 Ca 0.08 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 2kax h ASP 60 Cb 0.56 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.61 2kax h ASP 60 CO 0.03 0.00 -0.01 0.11 -2.88 0.00 0.00 179.24 176.49 2kax h LYS 61 N 0.00 -0.02 0.00 0.28 1.57 -1.46 -3.39 116.57 113.55 2kax h LYS 61 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 2kax h LYS 61 Cb 0.09 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 2kax h LYS 61 CO 0.00 0.27 -1.94 0.09 -0.57 0.00 0.00 179.45 177.30 2kax n ASN 62 N -4.96 1.32 0.00 0.86 4.13 -1.05 -4.96 115.26 110.60 2kax n ASN 62 Ca -0.08 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.18 2kax n ASN 62 Cb 0.16 1.13 0.00 0.00 -1.54 0.00 0.00 39.78 39.53 2kax n ASN 62 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2kax n SER 63 N -2.40 0.00 0.00 6.41 2.88 -0.35 -3.12 113.62 117.04 2kax n SER 63 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 2kax n SER 63 Cb 0.82 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 2kax n SER 63 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2kax n ASP 64 N 4.12 0.68 -4.75 -3.46 8.00 -1.26 -0.73 116.55 119.15 2kax n ASP 64 Ca 0.00 -0.90 -0.37 0.00 0.71 0.00 0.00 54.79 54.23 2kax n ASP 64 Cb 0.00 0.15 0.04 0.00 -0.02 0.00 0.00 41.12 41.29 2kax n ASP 64 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2kax s GLN 65 N -0.15 3.04 0.46 -1.24 -0.21 -1.18 -4.88 119.66 115.50 2kax s GLN 65 Ca 0.00 2.02 -0.17 0.00 0.02 0.00 0.00 55.36 57.24 2kax s GLN 65 Cb 0.00 -2.09 -0.09 0.00 1.00 0.00 0.00 33.01 31.84 2kax s GLN 65 CO 0.00 -1.21 0.93 -1.21 -2.12 0.00 0.00 175.29 171.68 2kax s GLU 66 N -3.11 4.00 0.05 2.91 2.02 -1.26 -3.22 118.70 120.09 2kax s GLU 66 Ca 0.75 0.90 0.05 0.00 0.02 0.00 0.00 54.97 56.69 2kax s GLU 66 Cb -0.35 -2.21 -0.03 0.00 0.10 0.00 0.00 34.13 31.64 2kax s GLU 66 CO 0.40 -0.14 -0.13 0.96 0.02 0.00 0.00 175.26 176.37 2kax s ILE 67 N -2.43 1.01 0.56 -1.63 -4.36 0.01 -4.95 121.20 109.42 2kax s ILE 67 Ca 0.58 -1.14 0.09 0.00 -0.26 0.00 0.00 60.65 59.92 2kax s ILE 67 Cb -0.10 -0.97 0.08 0.00 1.25 0.00 0.00 42.46 42.73 2kax s ILE 67 CO 0.26 -0.16 0.77 1.51 0.24 0.00 0.00 174.94 177.55 2kax s ASP 68 N -1.48 5.15 0.57 4.36 -4.77 -1.26 -1.57 116.67 117.66 2kax s ASP 68 Ca -0.02 -0.82 0.31 0.00 -3.30 0.00 0.00 52.55 48.73 2kax s ASP 68 Cb -0.09 0.21 1.44 0.00 -1.09 0.00 0.00 42.92 43.39 2kax s ASP 68 CO 0.02 -1.29 1.80 0.15 0.70 0.00 0.00 175.17 176.55 2kax h PHE 69 N 0.23 0.00 0.29 2.11 3.57 -1.98 -1.84 116.94 119.32 2kax h PHE 69 Ca -0.31 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.18 2kax h PHE 69 Cb 1.29 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.03 2kax h PHE 69 CO 0.44 0.00 -0.14 -0.22 -2.23 0.00 0.00 178.31 176.16 2kax h LYS 70 N 0.00 -0.37 -0.79 1.11 3.64 -1.95 -1.02 116.57 117.19 2kax h LYS 70 Ca 0.39 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.75 2kax h LYS 70 Cb 1.80 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.67 2kax h LYS 70 CO -0.00 -0.19 0.32 0.93 -2.27 0.00 0.00 179.45 178.23 2kax h GLU 71 N -0.47 1.18 -0.10 1.90 4.39 -1.73 -0.33 114.58 119.42 2kax h GLU 71 Ca -0.04 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 2kax h GLU 71 Cb 0.36 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2kax h GLU 71 CO 0.06 0.95 0.04 -0.92 -1.16 0.00 0.00 179.01 177.99 2kax h TYR 72 N 1.15 0.16 -0.54 4.33 3.20 -1.52 -0.98 116.97 122.76 2kax h TYR 72 Ca 0.26 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.05 2kax h TYR 72 Cb 0.21 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 2kax h TYR 72 CO 0.02 0.25 0.04 0.66 -1.64 0.00 0.00 178.16 177.49 2kax h SER 73 N 0.02 0.89 0.17 -2.11 4.64 -0.78 -1.74 113.55 114.65 2kax h SER 73 Ca 0.03 -0.29 -0.16 0.00 -0.47 0.00 0.00 61.79 60.91 2kax h SER 73 Cb 0.15 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 2kax h SER 73 CO -0.00 0.96 -0.59 -0.37 -0.87 0.00 0.00 176.83 175.96 2kax h VAL 74 N 0.80 1.35 -0.35 0.95 -1.51 -1.08 -0.52 116.25 115.89 2kax h VAL 74 Ca 0.16 -1.89 -0.06 0.00 -1.23 0.00 0.00 66.70 63.68 2kax h VAL 74 Cb 0.48 1.89 -0.01 0.00 -2.13 0.00 0.00 31.29 31.51 2kax h VAL 74 CO 0.02 0.57 -0.01 0.15 -1.23 0.00 0.00 177.57 177.08 2kax h PHE 75 N 0.32 0.67 -0.10 5.19 3.04 -1.10 0.22 116.94 125.18 2kax h PHE 75 Ca -0.00 -0.12 -0.00 0.00 3.98 0.00 0.00 57.97 61.83 2kax h PHE 75 Cb 1.11 -0.17 -0.00 0.00 2.56 0.00 0.00 35.95 39.44 2kax h PHE 75 CO 0.04 0.73 0.06 -0.07 -2.02 0.00 0.00 178.31 177.05 2kax h LEU 76 N 0.42 0.12 -0.91 0.59 3.38 -1.31 -1.97 115.31 115.64 2kax h LEU 76 Ca 0.10 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.07 2kax h LEU 76 Cb 0.46 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 2kax h LEU 76 CO 0.02 0.12 0.59 0.74 0.09 0.00 0.00 178.44 180.00 2kax h THR 77 N 0.11 1.15 -0.08 0.22 2.02 -0.98 -1.17 112.91 114.19 2kax h THR 77 Ca 0.04 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 2kax h THR 77 Cb 0.02 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.33 2kax h THR 77 CO -0.01 0.21 0.04 -0.03 0.37 0.00 0.00 175.52 176.10 2kax h MET 78 N 1.15 0.12 -0.74 6.66 1.85 -0.38 0.15 114.93 123.74 2kax h MET 78 Ca 0.36 -0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 59.40 2kax h MET 78 Cb -0.00 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 31.97 2kax h MET 78 CO -0.12 0.21 0.32 1.25 -0.40 0.00 0.00 176.91 178.17 2kax h LEU 79 N -0.00 0.99 -1.46 3.39 7.12 -1.18 0.08 115.31 124.25 2kax h LEU 79 Ca 0.03 -0.13 -0.05 0.00 0.13 0.00 0.00 57.88 57.85 2kax h LEU 79 Cb 0.13 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.00 2kax h LEU 79 CO -0.00 0.86 -0.26 0.00 -0.13 0.00 0.00 178.44 178.91 2kax n MET 81 N -3.80 0.62 0.31 0.00 0.00 0.01 -3.90 117.12 110.35 2kax n MET 81 Ca -0.01 0.18 0.18 0.00 0.00 0.00 0.00 57.70 58.04 2kax n MET 81 Cb 0.35 -1.80 0.98 0.00 0.00 0.00 0.00 33.22 32.74 2kax n MET 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kax h ALA 82 N 1.62 1.17 -2.03 3.17 0.00 -0.64 -3.42 119.26 119.12 2kax h ALA 82 Ca -0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2kax h ALA 82 Cb 1.39 -0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.97 2kax h ALA 82 CO 0.03 0.03 0.07 1.52 0.00 0.00 0.00 179.25 180.91 2kax s TYR 83 N -4.19 -0.87 -0.36 0.00 1.13 -1.01 -5.05 117.35 107.00 2kax s TYR 83 Ca -0.04 1.97 0.05 0.00 -1.41 0.00 0.00 57.07 57.64 2kax s TYR 83 Cb 0.13 0.40 0.25 0.00 -1.10 0.00 0.00 41.96 41.64 2kax s TYR 83 CO 0.50 -0.43 1.23 0.27 -2.51 0.00 0.00 175.55 174.61 2kax n ASN 84 N 3.30 -1.57 0.24 -0.18 0.23 -1.26 -4.61 115.26 111.42 2kax n ASN 84 Ca -0.16 -2.27 0.15 0.00 -0.53 0.00 0.00 54.58 51.77 2kax n ASN 84 Cb 0.56 1.22 0.82 0.00 -2.08 0.00 0.00 39.78 40.30 2kax n ASN 84 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 2kax h ASP 85 N 1.95 0.00 0.00 0.53 3.58 -1.95 -2.46 116.42 118.06 2kax h ASP 85 Ca -0.36 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.09 2kax h ASP 85 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2kax h ASP 85 CO -0.06 0.00 0.09 0.49 -2.88 0.00 0.00 179.24 176.88 2kax n PHE 86 N -2.59 0.00 -0.01 0.28 3.72 -1.26 -1.21 117.46 116.39 2kax n PHE 86 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2kax n PHE 86 Cb 0.10 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 2kax n PHE 86 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2kax n PHE 87 N -1.36 0.00 -0.50 1.38 3.72 -0.93 -5.03 117.46 114.73 2kax n PHE 87 Ca 0.00 -0.42 0.00 0.00 -0.05 0.00 0.00 57.45 56.98 2kax n PHE 87 Cb 0.09 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 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 -0.42 0.00 0.00 4.37 7.99 -0.35 -5.11 117.00 123.48 2kax n LEU 88 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2kax n LEU 88 Cb 0.22 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.53 2kax n LEU 88 CO 0.00 0.00 0.00 -0.62 -1.51 0.00 0.00 177.39 175.26 2kax n GLU 89 N 0.00 0.00 -0.15 3.23 4.71 -1.26 -5.01 120.64 122.16 2kax n GLU 89 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2kax n GLU 89 Cb 0.00 -0.30 0.00 0.00 -1.01 0.00 0.00 31.44 30.13 2kax n GLU 89 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 2kax n ASP 90 N -1.24 0.00 0.00 1.62 5.75 -1.26 -5.02 116.55 116.40 2kax n ASP 90 Ca 0.00 -1.25 0.00 0.00 -0.01 0.00 0.00 54.79 53.53 2kax n ASP 90 Cb 0.00 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 2kax n ASP 90 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2kax n ASN 91 N 0.00 0.00 0.00 -1.12 5.03 -1.26 -5.21 115.26 112.70 2kax n ASN 91 Ca 0.00 0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.63 2kax n ASN 91 Cb 0.55 -0.23 0.00 0.00 -1.02 0.00 0.00 39.78 39.08 2kax n ASN 91 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72