#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 1.02 -2.28 2.12 0.00 -1.26 -5.00 120.64 115.24 2kax n GLU 2 Ca 0.00 -0.24 -0.26 0.00 0.00 0.00 0.00 57.16 56.67 2kax n GLU 2 Cb 0.00 -0.69 0.10 0.00 0.00 0.00 0.00 31.44 30.86 2kax n GLU 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 2kax s THR 3 N -0.21 2.20 0.06 3.84 -4.23 -1.26 -4.93 115.64 111.09 2kax s THR 3 Ca 0.00 -0.33 -0.15 0.00 -1.18 0.00 0.00 61.69 60.02 2kax s THR 3 Cb 0.00 -2.86 -0.25 0.00 1.34 0.00 0.00 72.50 70.72 2kax s THR 3 CO 0.00 0.00 1.14 1.55 -0.54 0.00 0.00 174.62 176.77 2kax h PRO 4 N -0.77 0.63 -0.36 3.99 0.13 -2.01 -3.04 132.00 130.57 2kax h PRO 4 Ca -0.42 -0.74 -0.09 0.00 -0.87 0.00 0.00 66.00 63.89 2kax h PRO 4 Cb 1.28 0.22 -0.02 0.00 0.13 0.00 0.00 31.00 32.62 2kax h PRO 4 CO 0.49 1.31 -0.15 1.25 -0.23 0.00 0.00 178.00 180.67 2kax h LEU 5 N 0.27 0.65 -2.06 1.56 6.46 -2.02 -2.82 115.31 117.34 2kax h LEU 5 Ca -0.14 -0.20 0.08 0.00 -0.12 0.00 0.00 57.88 57.50 2kax h LEU 5 Cb 1.71 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 41.45 2kax h LEU 5 CO 0.20 0.82 0.21 -0.08 -0.62 0.00 0.00 178.44 178.97 2kax h GLU 6 N 0.60 0.00 -0.14 1.25 4.81 -1.93 0.21 114.58 119.37 2kax h GLU 6 Ca 0.10 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2kax h GLU 6 Cb 0.60 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2kax h GLU 6 CO 0.04 0.00 0.10 0.87 -0.73 0.00 0.00 179.01 179.29 2kax h LYS 7 N 0.00 0.08 -0.16 1.92 1.79 -1.38 0.14 116.57 118.96 2kax h LYS 7 Ca 0.13 -0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.55 2kax h LYS 7 Cb 0.54 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2kax h LYS 7 CO -0.00 0.05 -0.05 0.00 -1.08 0.00 0.00 179.45 178.37 2kax h ALA 8 N 1.92 0.22 -0.31 3.86 0.00 -0.71 -0.94 119.26 123.30 2kax h ALA 8 Ca 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2kax h ALA 8 Cb 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2kax h ALA 8 CO -0.01 -0.00 0.10 -0.07 0.00 0.00 0.00 179.25 179.28 2kax h LEU 9 N 0.01 0.44 -0.40 0.00 -0.00 -1.38 -0.68 115.31 113.29 2kax h LEU 9 Ca 0.04 -0.19 0.08 0.00 -0.00 0.00 0.00 57.88 57.81 2kax h LEU 9 Cb 0.50 -0.12 -0.09 0.00 -0.00 0.00 0.00 40.66 40.96 2kax h LEU 9 CO 0.02 0.52 -0.25 0.74 -0.00 0.00 0.00 178.44 179.47 2kax h THR 10 N 0.34 0.34 -0.30 0.22 2.02 -0.75 0.24 112.91 115.02 2kax h THR 10 Ca 0.10 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.33 2kax h THR 10 Cb 0.23 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 2kax h THR 10 CO -0.00 0.00 0.05 0.74 0.37 0.00 0.00 175.52 176.67 2kax h THR 11 N -0.18 0.83 -0.36 3.16 2.02 -0.87 -0.40 112.91 117.12 2kax h THR 11 Ca 0.19 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 2kax h THR 11 Cb 0.48 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 2kax h THR 11 CO -0.51 0.03 0.18 0.24 0.37 0.00 0.00 175.52 175.83 2kax h MET 12 N 0.15 0.51 -0.10 6.66 2.07 -0.24 -1.31 114.93 122.67 2kax h MET 12 Ca 0.14 -0.07 -0.14 0.00 -2.07 0.00 0.00 59.70 57.57 2kax h MET 12 Cb 0.16 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 29.79 2kax h MET 12 CO -0.20 0.45 -0.54 -0.39 1.07 0.00 0.00 176.91 177.29 2kax h VAL 13 N 0.44 1.36 0.47 -2.22 -1.51 -0.35 -0.82 116.25 113.62 2kax h VAL 13 Ca 0.12 -1.83 -0.02 0.00 -1.23 0.00 0.00 66.70 63.74 2kax h VAL 13 Cb 0.10 1.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 2kax h VAL 13 CO -0.02 0.55 -0.23 0.74 -1.23 0.00 0.00 177.57 177.38 2kax h THR 14 N 0.22 0.50 -0.33 7.19 2.02 -0.99 -1.28 112.91 120.23 2kax h THR 14 Ca 0.00 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 2kax h THR 14 Cb 1.03 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 2kax h THR 14 CO 0.09 0.05 -0.02 0.71 0.37 0.00 0.00 175.52 176.71 2kax h THR 15 N -0.82 1.20 -0.23 3.16 1.35 -1.24 -1.55 112.91 114.78 2kax h THR 15 Ca -0.06 -0.83 -0.02 0.00 -0.55 0.00 0.00 66.41 64.95 2kax h THR 15 Cb 0.56 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 67.95 2kax h THR 15 CO 0.11 0.28 0.06 0.15 -0.25 0.00 0.00 175.52 175.87 2kax h PHE 16 N 0.50 0.39 0.00 4.73 3.04 -1.14 -2.85 116.94 121.61 2kax h PHE 16 Ca 0.11 -0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 2kax h PHE 16 Cb 0.36 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 38.76 2kax h PHE 16 CO 0.01 0.46 -0.06 1.25 -2.02 0.00 0.00 178.31 177.95 2kax h HIS 17 N 0.20 0.00 0.00 0.41 2.76 -0.81 0.15 115.15 117.86 2kax h HIS 17 Ca 0.07 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2kax h HIS 17 Cb 0.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.22 2kax h HIS 17 CO 0.01 0.06 0.03 -0.22 -1.30 0.00 0.00 177.93 176.51 2kax h LYS 18 N 0.00 0.00 0.00 5.26 3.11 -1.04 -1.18 116.57 122.72 2kax h LYS 18 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2kax h LYS 18 Cb 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.36 2kax h LYS 18 CO 0.01 0.00 -0.77 0.66 -2.81 0.00 0.00 179.45 176.54 2kax n TYR 19 N -2.95 0.00 -0.22 1.91 4.02 -0.84 -4.79 117.16 114.29 2kax n TYR 19 Ca -0.03 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.78 2kax n TYR 19 Cb 0.09 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.44 2kax n TYR 19 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2kax h SER 20 N 0.00 1.01 0.00 7.72 0.87 -0.80 -3.34 113.55 119.01 2kax h SER 20 Ca 0.00 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2kax h SER 20 Cb 0.77 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2kax h SER 20 CO 0.00 1.03 0.00 0.61 -0.53 0.00 0.00 176.83 177.94 2kax n GLY 21 N -0.52 1.87 0.10 5.77 0.00 -0.45 -4.07 105.19 107.89 2kax n GLY 21 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.06 2kax n GLY 21 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2kax h ARG 22 N 0.21 0.00 0.00 1.61 3.08 -1.77 -3.49 114.38 114.02 2kax h ARG 22 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2kax h ARG 22 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.97 2kax h ARG 22 CO 0.00 0.32 0.00 0.39 -1.07 0.00 0.00 179.97 179.61 2kax n GLU 23 N -2.93 0.00 0.00 0.04 1.02 -1.26 -5.05 120.64 112.46 2kax n GLU 23 Ca -0.08 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.11 2kax n GLU 23 Cb 0.82 0.00 0.29 0.00 -0.02 0.00 0.00 31.44 32.53 2kax n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kax n GLY 24 N 0.00 -0.82 3.41 0.62 0.00 -1.26 -4.80 105.19 102.35 2kax n GLY 24 Ca 0.00 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 2kax n GLY 24 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kax s SER 25 N -1.49 2.75 0.00 1.61 0.15 -1.26 -5.03 113.70 110.43 2kax s SER 25 Ca 0.15 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 55.64 2kax s SER 25 Cb 0.07 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 2kax s SER 25 CO 0.11 -0.30 0.85 2.29 1.20 0.00 0.00 173.24 177.39 2kax n LYS 26 N -0.55 0.00 0.00 5.44 0.00 -1.26 -3.74 118.16 118.05 2kax n LYS 26 Ca -0.06 -0.76 0.00 0.00 -0.00 0.00 0.00 58.31 57.49 2kax n LYS 26 Cb 0.63 -0.40 0.00 0.00 -0.00 0.00 0.00 35.03 35.25 2kax n LYS 26 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2kax n LEU 27 N 0.00 0.00 -4.20 -5.58 -0.00 -1.26 -4.65 117.00 101.31 2kax n LEU 27 Ca 0.00 -0.15 -0.17 0.00 -0.00 0.00 0.00 56.01 55.69 2kax n LEU 27 Cb 0.64 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.95 2kax n LEU 27 CO 0.00 0.00 -0.44 0.42 -0.00 0.00 0.00 177.39 177.37 2kax s THR 28 N -0.40 1.15 0.22 1.47 -4.23 -1.26 -3.54 115.64 109.05 2kax s THR 28 Ca 0.00 -1.56 -0.22 0.00 -1.18 0.00 0.00 61.69 58.73 2kax s THR 28 Cb 0.00 -1.33 0.05 0.00 1.34 0.00 0.00 72.50 72.56 2kax s THR 28 CO 0.00 -0.39 0.65 -1.48 -0.54 0.00 0.00 174.62 172.87 2kax s LEU 29 N -2.21 -0.42 0.60 4.79 2.34 -0.40 -4.69 118.68 118.68 2kax s LEU 29 Ca 0.04 -0.28 -0.11 0.00 0.06 0.00 0.00 54.13 53.84 2kax s LEU 29 Cb -0.06 2.66 -0.04 0.00 -0.56 0.00 0.00 46.19 48.18 2kax s LEU 29 CO 0.02 -1.14 1.00 -0.94 -1.06 0.00 0.00 176.35 174.23 2kax s SER 30 N -2.83 6.26 0.40 1.48 1.04 -1.26 -0.66 113.70 118.13 2kax s SER 30 Ca 0.06 1.38 0.10 0.00 0.48 0.00 0.00 55.95 57.97 2kax s SER 30 Cb -0.03 -2.45 0.91 0.00 0.10 0.00 0.00 66.02 64.54 2kax s SER 30 CO -0.04 -0.82 1.97 0.03 0.98 0.00 0.00 173.24 175.37 2kax h ARG 31 N -0.17 0.54 -0.00 4.02 -0.00 -0.93 0.22 114.38 118.05 2kax h ARG 31 Ca -0.45 -0.03 0.03 0.00 -0.50 0.00 0.00 59.98 59.03 2kax h ARG 31 Cb 1.19 -0.12 -0.04 0.00 0.00 0.00 0.00 29.97 31.00 2kax h ARG 31 CO 0.62 0.36 -0.19 0.87 0.00 0.00 0.00 179.97 181.62 2kax h LYS 32 N 0.55 -0.30 -0.50 0.04 6.56 -1.50 -2.89 116.57 118.53 2kax h LYS 32 Ca 0.29 0.02 -0.13 0.00 -1.06 0.00 0.00 60.65 59.77 2kax h LYS 32 Cb 0.41 0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 32.12 2kax h LYS 32 CO -0.09 -0.20 -0.18 1.49 -2.06 0.00 0.00 179.45 178.41 2kax h GLU 33 N -0.31 1.01 -0.65 3.15 4.57 -1.46 -2.42 114.58 118.47 2kax h GLU 33 Ca 0.06 -0.41 0.07 0.00 -1.18 0.00 0.00 59.36 57.89 2kax h GLU 33 Cb 0.39 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.87 2kax h GLU 33 CO -0.18 1.10 0.34 1.25 -1.18 0.00 0.00 179.01 180.33 2kax h LEU 34 N 0.88 0.48 -0.53 1.64 5.85 -0.70 -0.50 115.31 122.42 2kax h LEU 34 Ca 0.12 0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.72 2kax h LEU 34 Cb 0.76 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 2kax h LEU 34 CO 0.06 0.30 -0.72 0.07 -0.34 0.00 0.00 178.44 177.81 2kax h LYS 35 N 0.62 0.09 0.01 1.25 2.10 -1.35 -1.95 116.57 117.34 2kax h LYS 35 Ca 0.30 -0.08 -0.00 0.00 -2.00 0.00 0.00 60.65 58.88 2kax h LYS 35 Cb 0.24 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 2kax h LYS 35 CO -0.21 0.77 -0.01 1.49 -2.00 0.00 0.00 179.45 179.49 2kax h GLU 36 N 0.06 -0.02 -0.19 0.07 4.57 -1.01 -1.38 114.58 116.67 2kax h GLU 36 Ca -0.01 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.22 2kax h GLU 36 Cb 1.28 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.82 2kax h GLU 36 CO 0.10 0.01 -0.19 1.25 -1.18 0.00 0.00 179.01 179.01 2kax h LEU 37 N -0.05 -0.60 -0.73 1.64 5.85 -1.02 -2.78 115.31 117.62 2kax h LEU 37 Ca -0.00 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 2kax h LEU 37 Cb 0.04 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 2kax h LEU 37 CO 0.00 -0.23 0.25 0.40 -0.34 0.00 0.00 178.44 178.52 2kax h ILE 38 N -0.21 1.26 0.00 4.05 2.04 -1.30 -0.91 117.51 122.43 2kax h ILE 38 Ca 0.12 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2kax h ILE 38 Cb 0.39 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2kax h ILE 38 CO -0.31 0.34 0.00 0.29 0.00 0.00 0.00 178.15 178.47 2kax n LYS 39 N -4.30 0.43 0.03 2.37 4.76 -0.53 -0.09 118.16 120.84 2kax n LYS 39 Ca 0.06 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 2kax n LYS 39 Cb 0.21 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 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 -1.11 0.00 0.06 1.97 5.02 -1.03 -4.24 118.16 118.82 2kax n LYS 40 Ca 0.11 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.32 2kax n LYS 40 Cb 0.09 -0.37 -0.12 0.00 -0.02 0.00 0.00 35.03 34.60 2kax n LYS 40 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2kax h GLU 41 N 0.00 0.03 0.00 1.97 4.39 -1.34 -3.36 114.58 116.28 2kax h GLU 41 Ca 0.00 -0.05 -0.45 0.00 0.34 0.00 0.00 59.36 59.20 2kax h GLU 41 Cb 0.44 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.04 2kax h GLU 41 CO 0.00 0.99 -2.53 -0.11 -1.16 0.00 0.00 179.01 176.20 2kax n LEU 42 N -3.35 2.19 0.00 1.33 -0.00 -1.18 -5.05 117.00 110.94 2kax n LEU 42 Ca -0.02 0.23 0.00 0.00 -0.00 0.00 0.00 56.01 56.22 2kax n LEU 42 Cb 0.96 -0.84 0.00 0.00 -0.00 0.00 0.00 43.42 43.54 2kax n LEU 42 CO 0.48 0.66 0.00 0.00 -0.00 0.00 0.00 177.39 178.52 2kax n LEU 44 N 0.00 0.00 -2.18 0.00 -0.00 -1.26 -4.44 117.00 109.12 2kax n LEU 44 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.95 2kax n LEU 44 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 2kax n LEU 44 CO 0.00 0.00 1.11 0.61 -0.00 0.00 0.00 177.39 179.11 2kax n GLY 45 N -0.01 2.12 0.00 1.47 0.00 -1.26 -0.71 105.19 106.80 2kax n GLY 45 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 2.64 0.00 -0.01 1.61 0.00 -1.26 -4.90 120.64 118.72 2kax n GLU 46 Ca 0.23 0.00 -0.18 0.00 0.00 0.00 0.00 57.16 57.21 2kax n GLU 46 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.87 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 0.67 -5.56 3.44 -1.53 -1.80 -3.41 114.93 106.74 2kax h MET 47 Ca 0.00 -0.60 -0.63 0.00 -3.44 0.00 0.00 59.70 55.03 2kax h MET 47 Cb 0.00 0.14 -0.09 0.00 -0.55 0.00 0.00 31.60 31.11 2kax h MET 47 CO 0.00 1.21 -0.43 0.15 0.14 0.00 0.00 176.91 177.98 2kax s LYS 48 N -3.57 3.83 -0.02 0.39 -0.14 0.12 -5.05 119.74 115.31 2kax s LYS 48 Ca -0.11 -0.06 -0.01 0.00 -1.36 0.00 0.00 55.97 54.43 2kax s LYS 48 Cb 0.07 -3.29 -0.00 0.00 -1.68 0.00 0.00 37.83 32.92 2kax s LYS 48 CO 0.88 0.55 -0.02 -0.85 -0.76 0.00 0.00 175.35 175.15 2kax n GLU 49 N 2.64 0.05 -1.08 1.68 -0.00 -1.26 -4.24 120.64 118.43 2kax n GLU 49 Ca -0.17 0.19 -0.06 0.00 -0.00 0.00 0.00 57.16 57.12 2kax n GLU 49 Cb 0.53 -0.77 0.03 0.00 -0.00 0.00 0.00 31.44 31.24 2kax n GLU 49 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2kax n SER 50 N -2.57 0.33 0.00 -1.84 2.88 -1.26 -4.42 113.62 106.74 2kax n SER 50 Ca -0.01 -1.28 0.00 0.00 -1.33 0.00 0.00 58.87 56.25 2kax n SER 50 Cb 0.04 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 2kax n SER 50 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2kax n SER 51 N -2.99 0.00 0.06 -3.46 7.64 -1.26 -4.67 113.62 108.93 2kax n SER 51 Ca 0.04 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.80 2kax n SER 51 Cb 0.15 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.27 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 1.04 0.00 0.44 -0.00 -1.88 -3.25 117.51 113.85 2kax h ILE 52 Ca 0.00 -0.93 -0.11 0.00 -0.00 0.00 0.00 64.86 63.82 2kax h ILE 52 Cb 0.00 1.60 -0.02 0.00 -0.00 0.00 0.00 36.82 38.40 2kax h ILE 52 CO 0.00 0.21 -0.51 -0.78 -0.00 0.00 0.00 178.15 177.07 2kax h ASP 53 N -0.64 0.00 0.08 2.16 3.58 -1.83 -1.36 116.42 118.41 2kax h ASP 53 Ca -0.02 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 2kax h ASP 53 Cb 0.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2kax h ASP 53 CO 0.03 0.51 -0.04 -0.78 -2.88 0.00 0.00 179.24 176.08 2kax h ASP 54 N 0.00 -0.09 -0.52 2.28 3.58 -1.95 0.14 116.42 119.86 2kax h ASP 54 Ca -0.01 -0.19 -0.10 0.00 0.42 0.00 0.00 57.03 57.16 2kax h ASP 54 Cb 1.18 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.23 2kax h ASP 54 CO 0.07 0.13 -0.04 -0.07 -2.88 0.00 0.00 179.24 176.44 2kax h LEU 55 N -0.32 0.97 -0.82 2.28 3.38 -1.58 0.38 115.31 119.59 2kax h LEU 55 Ca -0.01 -0.28 0.11 0.00 0.09 0.00 0.00 57.88 57.79 2kax h LEU 55 Cb 0.27 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.68 2kax h LEU 55 CO 0.02 1.05 0.45 0.24 0.09 0.00 0.00 178.44 180.28 2kax h MET 56 N 0.89 0.69 -0.66 1.13 2.86 -1.18 -2.23 114.93 116.43 2kax h MET 56 Ca 0.15 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.69 2kax h MET 56 Cb 0.58 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 2kax h MET 56 CO 0.04 0.46 0.15 -0.22 1.06 0.00 0.00 176.91 178.40 2kax h LYS 57 N 0.71 1.04 0.00 1.72 1.63 0.41 -0.01 116.57 122.08 2kax h LYS 57 Ca 0.42 -0.24 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 2kax h LYS 57 Cb 0.47 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 2kax h LYS 57 CO -0.29 0.93 0.04 1.03 -3.45 0.00 0.00 179.45 177.71 2kax h SER 58 N 0.99 0.00 0.03 4.20 0.87 -0.43 -0.95 113.55 118.25 2kax h SER 58 Ca 0.21 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.38 2kax h SER 58 Cb 0.36 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.26 2kax h SER 58 CO 0.00 0.00 -2.36 0.18 -0.53 0.00 0.00 176.83 174.12 2kax n LEU 59 N -2.59 2.85 0.18 2.23 4.77 -0.26 -4.32 117.00 119.85 2kax n LEU 59 Ca -0.02 -0.03 0.18 0.00 -0.03 0.00 0.00 56.01 56.11 2kax n LEU 59 Cb 0.09 -0.96 0.81 0.00 -2.33 0.00 0.00 43.42 41.03 2kax n LEU 59 CO 0.13 0.90 1.16 0.44 -1.33 0.00 0.00 177.39 178.69 2kax h ASP 60 N -0.04 0.00 -0.68 -1.43 3.32 -0.66 -1.30 116.42 115.63 2kax h ASP 60 Ca -0.55 0.00 0.21 0.00 0.02 0.00 0.00 57.03 56.72 2kax h ASP 60 Cb 1.91 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 41.42 2kax h ASP 60 CO -0.07 0.00 0.46 1.17 -1.72 0.00 0.00 179.24 179.09 2kax n LYS 61 N -3.61 -0.01 0.00 3.56 3.00 -0.40 -4.18 118.16 116.53 2kax n LYS 61 Ca 0.03 0.48 0.00 0.00 -0.00 0.00 0.00 58.31 58.82 2kax n LYS 61 Cb 0.44 -1.01 0.00 0.00 0.00 0.00 0.00 35.03 34.46 2kax n LYS 61 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2kax n ASN 62 N -3.14 0.00 0.00 3.14 2.85 -0.96 -5.10 115.26 112.06 2kax n ASN 62 Ca 0.17 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.64 2kax n ASN 62 Cb 0.72 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.74 2kax n ASN 62 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 2kax n SER 63 N -1.34 0.00 -0.43 1.20 3.41 -0.53 -4.71 113.62 111.22 2kax n SER 63 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 2kax n SER 63 Cb 0.00 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.13 2kax n SER 63 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2kax n ASP 64 N 0.04 2.98 -4.83 4.04 8.00 -1.26 -1.30 116.55 124.21 2kax n ASP 64 Ca 0.00 -2.92 -0.29 0.00 0.71 0.00 0.00 54.79 52.29 2kax n ASP 64 Cb 0.00 -0.43 -0.05 0.00 -0.02 0.00 0.00 41.12 40.61 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 -2.62 3.06 0.43 -1.24 -0.21 -1.26 -4.85 119.66 112.98 2kax s GLN 65 Ca 0.33 -0.67 -0.23 0.00 0.02 0.00 0.00 55.36 54.81 2kax s GLN 65 Cb 0.28 -2.80 -0.08 0.00 1.00 0.00 0.00 33.01 31.40 2kax s GLN 65 CO 0.06 0.55 1.07 -1.21 -2.12 0.00 0.00 175.29 173.64 2kax s GLU 66 N -2.68 3.99 0.23 2.91 2.02 -1.26 -0.72 118.70 123.19 2kax s GLU 66 Ca 0.31 1.53 0.05 0.00 0.02 0.00 0.00 54.97 56.89 2kax s GLU 66 Cb -0.12 -2.41 -0.05 0.00 0.10 0.00 0.00 34.13 31.66 2kax s GLU 66 CO 0.24 -0.30 -0.04 0.96 0.02 0.00 0.00 175.26 176.14 2kax s ILE 67 N -1.71 1.28 0.24 -1.63 -5.25 0.16 -4.89 121.20 109.39 2kax s ILE 67 Ca 0.61 -2.08 0.01 0.00 -0.99 0.00 0.00 60.65 58.21 2kax s ILE 67 Cb -0.22 -2.29 0.04 0.00 2.95 0.00 0.00 42.46 42.95 2kax s ILE 67 CO 0.27 -0.39 0.32 -0.90 -1.79 0.00 0.00 174.94 172.45 2kax n ASP 68 N -0.43 0.54 0.13 4.36 5.75 -1.26 -1.28 116.55 124.36 2kax n ASP 68 Ca -0.06 -1.43 0.08 0.00 -0.01 0.00 0.00 54.79 53.37 2kax n ASP 68 Cb 0.63 -0.20 0.44 0.00 -1.03 0.00 0.00 41.12 40.96 2kax n ASP 68 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2kax n PHE 69 N -1.75 0.54 -0.11 2.11 3.72 -1.23 -2.97 117.46 117.76 2kax n PHE 69 Ca 0.06 0.28 -0.25 0.00 -0.05 0.00 0.00 57.45 57.49 2kax n PHE 69 Cb 0.20 -0.91 -0.11 0.00 -0.94 0.00 0.00 39.48 37.72 2kax n PHE 69 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2kax n LYS 70 N -2.07 0.60 -0.17 -1.08 4.81 -1.26 -1.29 118.16 117.71 2kax n LYS 70 Ca -0.01 0.36 -0.01 0.00 -0.87 0.00 0.00 58.31 57.78 2kax n LYS 70 Cb 0.08 -1.60 0.07 0.00 0.02 0.00 0.00 35.03 33.60 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 -0.79 0.11 0.02 1.64 4.39 -1.98 -0.47 114.58 117.49 2kax h GLU 71 Ca -0.54 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.17 2kax h GLU 71 Cb 1.58 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.19 2kax h GLU 71 CO -0.27 0.07 -0.11 -0.92 -1.16 0.00 0.00 179.01 176.63 2kax h TYR 72 N 0.11 -0.27 -0.46 4.33 3.20 -1.58 0.84 116.97 123.14 2kax h TYR 72 Ca 0.27 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.05 2kax h TYR 72 Cb 0.42 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 2kax h TYR 72 CO -0.34 -0.16 -0.11 0.66 -1.64 0.00 0.00 178.16 176.57 2kax h SER 73 N -0.19 0.89 0.56 -2.11 4.64 -1.08 -1.83 113.55 114.43 2kax h SER 73 Ca 0.03 -0.36 -0.10 0.00 -0.47 0.00 0.00 61.79 60.89 2kax h SER 73 Cb 0.23 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 2kax h SER 73 CO -0.09 1.05 -0.48 -0.37 -0.87 0.00 0.00 176.83 176.07 2kax h VAL 74 N 0.72 1.26 -0.11 0.95 -1.51 -0.93 -1.15 116.25 115.47 2kax h VAL 74 Ca 0.12 -1.68 -0.04 0.00 -1.23 0.00 0.00 66.70 63.87 2kax h VAL 74 Cb 0.66 1.93 -0.00 0.00 -2.13 0.00 0.00 31.29 31.74 2kax h VAL 74 CO 0.05 0.47 -0.09 0.15 -1.23 0.00 0.00 177.57 176.91 2kax h PHE 75 N 0.00 0.31 -0.34 5.19 3.04 -0.68 0.22 116.94 124.68 2kax h PHE 75 Ca -0.00 -0.09 0.04 0.00 3.98 0.00 0.00 57.97 61.90 2kax h PHE 75 Cb 0.89 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 39.29 2kax h PHE 75 CO 0.00 0.66 0.12 -0.07 -2.02 0.00 0.00 178.31 176.99 2kax h LEU 76 N -0.12 0.12 -0.46 0.59 3.38 -1.30 -1.33 115.31 116.19 2kax h LEU 76 Ca 0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2kax h LEU 76 Cb 0.59 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2kax h LEU 76 CO 0.02 0.11 0.29 0.74 0.09 0.00 0.00 178.44 179.69 2kax h THR 77 N 0.26 1.13 -0.34 0.22 2.02 -1.20 -2.03 112.91 112.97 2kax h THR 77 Ca 0.16 -0.29 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 2kax h THR 77 Cb 0.13 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 2kax h THR 77 CO -0.16 0.13 -0.00 -0.03 0.37 0.00 0.00 175.52 175.83 2kax h MET 78 N 0.62 0.52 0.18 6.66 1.85 -0.16 0.24 114.93 124.83 2kax h MET 78 Ca 0.17 -0.11 -0.01 0.00 -0.61 0.00 0.00 59.70 59.14 2kax h MET 78 Cb -0.03 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 31.93 2kax h MET 78 CO -0.03 0.55 -0.09 1.25 -0.40 0.00 0.00 176.91 178.19 2kax h LEU 79 N 0.50 -0.20 -0.29 3.39 7.12 -1.11 -2.77 115.31 121.94 2kax h LEU 79 Ca 0.11 -0.26 0.05 0.00 0.13 0.00 0.00 57.88 57.91 2kax h LEU 79 Cb 0.33 0.05 -0.04 0.00 -0.53 0.00 0.00 40.66 40.46 2kax h LEU 79 CO 0.01 0.17 0.01 0.00 -0.13 0.00 0.00 178.44 178.50 2kax h MET 81 N 0.10 0.00 -0.99 0.00 -0.00 -1.08 -2.04 114.93 110.93 2kax h MET 81 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.84 2kax h MET 81 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.78 2kax h MET 81 CO -0.22 0.13 0.00 0.00 -0.00 0.00 0.00 176.91 176.82 2kax n ALA 82 N -2.31 2.45 -1.61 -3.00 0.00 -0.39 -2.56 120.51 113.09 2kax n ALA 82 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2kax n ALA 82 Cb 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.24 0.00 1.27 0.00 0.18 -0.79 -4.88 117.16 113.18 2kax n TYR 83 Ca 0.00 0.00 0.07 0.00 1.88 0.00 0.00 57.90 59.85 2kax n TYR 83 Cb 0.34 0.08 0.26 0.00 -0.38 0.00 0.00 39.34 39.65 2kax n TYR 83 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 2kax n ASN 84 N 0.00 1.36 0.31 9.48 3.02 -1.06 -3.56 115.26 124.81 2kax n ASN 84 Ca 0.00 -1.83 0.20 0.00 -0.03 0.00 0.00 54.58 52.92 2kax n ASN 84 Cb 0.47 -0.13 1.00 0.00 -0.61 0.00 0.00 39.78 40.50 2kax n ASN 84 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2kax h ASP 85 N 1.63 0.00 -0.21 6.41 2.03 -1.90 -1.81 116.42 122.57 2kax h ASP 85 Ca 0.00 0.00 0.06 0.00 -0.73 0.00 0.00 57.03 56.36 2kax h ASP 85 Cb 0.37 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.86 2kax h ASP 85 CO 0.00 0.02 0.26 0.15 -1.03 0.00 0.00 179.24 178.64 2kax h PHE 86 N 0.00 0.00 -0.54 4.15 3.57 -1.97 -1.23 116.94 120.92 2kax h PHE 86 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2kax h PHE 86 Cb 0.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.93 2kax h PHE 86 CO 0.00 0.00 0.00 1.19 -2.23 0.00 0.00 178.31 177.27 2kax n PHE 87 N -3.66 0.70 -0.70 0.41 3.72 -0.68 -4.98 117.46 112.27 2kax n PHE 87 Ca 0.02 -0.35 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 2kax n PHE 87 Cb 0.38 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 2kax n PHE 87 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2kax n LEU 88 N 1.50 0.00 0.02 4.37 0.00 -0.47 -5.08 117.00 117.34 2kax n LEU 88 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.22 2kax n LEU 88 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.01 2kax n LEU 88 CO 0.16 0.00 0.00 -0.62 0.00 0.00 0.00 177.39 176.93 2kax n GLU 89 N 0.00 0.00 -3.55 1.96 1.02 -1.26 -5.11 120.64 113.69 2kax n GLU 89 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 2kax n GLU 89 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 2kax n GLU 89 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2kax s ASP 90 N -1.52 -0.52 0.00 1.62 2.15 -1.26 -5.07 116.67 112.07 2kax s ASP 90 Ca 0.00 0.37 0.00 0.00 0.43 0.00 0.00 52.55 53.35 2kax s ASP 90 Cb 0.00 0.51 0.00 0.00 -0.30 0.00 0.00 42.92 43.13 2kax s ASP 90 CO 0.00 -0.68 0.00 -3.20 -0.17 0.00 0.00 175.17 171.12 2kax n ASN 91 N 0.61 0.00 0.00 -0.34 2.85 -1.26 -5.27 115.26 111.85 2kax n ASN 91 Ca -0.19 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.28 2kax n ASN 91 Cb 0.59 0.19 0.00 0.00 1.24 0.00 0.00 39.78 41.80 2kax n ASN 91 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44