#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kax s GLU 2 N 0.00 0.24 0.00 2.12 2.56 -1.26 -5.05 118.70 117.31 2kax s GLU 2 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.97 54.89 2kax s GLU 2 Cb 0.00 -0.99 0.00 0.00 2.00 0.00 0.00 34.13 35.14 2kax s GLU 2 CO 0.00 -0.84 0.13 0.95 -0.56 0.00 0.00 175.26 174.94 2kax s THR 3 N 2.31 0.08 0.14 -1.70 -4.23 -1.26 -5.06 115.64 105.93 2kax s THR 3 Ca 0.08 -0.66 -0.18 0.00 -1.18 0.00 0.00 61.69 59.75 2kax s THR 3 Cb -0.15 -0.41 -0.02 0.00 1.34 0.00 0.00 72.50 73.26 2kax s THR 3 CO -0.23 -0.37 1.80 1.55 -0.54 0.00 0.00 174.62 176.83 2kax h PRO 4 N 4.39 0.41 -0.04 3.99 0.13 -2.01 -2.20 132.00 136.66 2kax h PRO 4 Ca -0.31 -0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 64.63 2kax h PRO 4 Cb 1.19 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2kax h PRO 4 CO 0.41 0.27 -0.73 1.25 -0.23 0.00 0.00 178.00 178.97 2kax h LEU 5 N 0.42 0.30 -1.80 1.56 6.46 -2.02 -2.97 115.31 117.26 2kax h LEU 5 Ca 0.12 -0.21 0.07 0.00 -0.12 0.00 0.00 57.88 57.75 2kax h LEU 5 Cb -0.04 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 39.78 2kax h LEU 5 CO -0.03 0.93 0.28 -0.08 -0.62 0.00 0.00 178.44 178.92 2kax h GLU 6 N 0.17 0.23 -0.35 1.25 4.81 -1.87 -1.06 114.58 117.75 2kax h GLU 6 Ca -0.03 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2kax h GLU 6 Cb 1.29 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 2kax h GLU 6 CO 0.11 0.15 0.17 0.87 -0.73 0.00 0.00 179.01 179.58 2kax h LYS 7 N 0.24 0.49 0.23 1.92 1.79 -1.24 0.45 116.57 120.45 2kax h LYS 7 Ca 0.19 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 2kax h LYS 7 Cb 0.44 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 2kax h LYS 7 CO -0.04 0.39 -0.11 0.00 -1.08 0.00 0.00 179.45 178.61 2kax h ALA 8 N 1.69 -0.32 -0.58 3.86 0.00 -1.30 -0.29 119.26 122.32 2kax h ALA 8 Ca 0.13 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2kax h ALA 8 Cb 0.06 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2kax h ALA 8 CO -0.02 -0.61 0.37 -0.07 0.00 0.00 0.00 179.25 178.92 2kax h LEU 9 N -0.45 0.61 -0.42 0.00 -0.00 -1.47 -1.04 115.31 112.54 2kax h LEU 9 Ca -0.03 -0.01 0.07 0.00 -0.00 0.00 0.00 57.88 57.91 2kax h LEU 9 Cb 0.34 -0.14 -0.06 0.00 -0.00 0.00 0.00 40.66 40.80 2kax h LEU 9 CO 0.05 0.44 0.06 0.74 -0.00 0.00 0.00 178.44 179.73 2kax h THR 10 N 0.74 0.74 -0.37 0.22 2.02 -0.76 0.16 112.91 115.66 2kax h THR 10 Ca 0.23 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.36 2kax h THR 10 Cb -0.03 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 2kax h THR 10 CO -0.08 0.03 0.22 0.74 0.37 0.00 0.00 175.52 176.81 2kax h THR 11 N 0.18 1.05 -0.31 3.16 2.02 -0.63 -1.47 112.91 116.91 2kax h THR 11 Ca 0.21 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.24 2kax h THR 11 Cb 0.27 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 2kax h THR 11 CO -0.30 0.08 0.20 0.24 0.37 0.00 0.00 175.52 176.12 2kax h MET 12 N 0.45 0.40 -0.08 6.66 2.07 -0.10 -1.94 114.93 122.39 2kax h MET 12 Ca 0.14 -0.02 -0.18 0.00 -2.07 0.00 0.00 59.70 57.57 2kax h MET 12 Cb -0.01 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 29.62 2kax h MET 12 CO -0.06 0.27 -0.71 -0.39 1.07 0.00 0.00 176.91 177.09 2kax h VAL 13 N 0.42 1.38 -0.46 -2.22 -1.51 -0.64 -1.21 116.25 112.00 2kax h VAL 13 Ca 0.12 -2.10 -0.07 0.00 -1.23 0.00 0.00 66.70 63.41 2kax h VAL 13 Cb -0.04 2.08 -0.02 0.00 -2.13 0.00 0.00 31.29 31.18 2kax h VAL 13 CO -0.03 0.63 0.01 0.74 -1.23 0.00 0.00 177.57 177.69 2kax h THR 14 N 0.28 1.26 -0.03 7.19 2.02 -1.20 -2.30 112.91 120.13 2kax h THR 14 Ca -0.03 -1.03 -0.16 0.00 0.77 0.00 0.00 66.41 65.97 2kax h THR 14 Cb 1.27 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 2kax h THR 14 CO 0.12 0.36 -0.69 0.71 0.37 0.00 0.00 175.52 176.39 2kax h THR 15 N 0.65 1.44 -0.26 3.16 1.35 -1.32 -3.09 112.91 114.84 2kax h THR 15 Ca 0.13 -2.23 -0.09 0.00 -0.55 0.00 0.00 66.41 63.67 2kax h THR 15 Cb 0.48 2.19 -0.01 0.00 -1.73 0.00 0.00 68.15 69.08 2kax h THR 15 CO 0.02 0.65 -0.18 0.15 -0.25 0.00 0.00 175.52 175.91 2kax h PHE 16 N 0.10 0.69 0.00 4.73 3.04 -1.12 -3.05 116.94 121.33 2kax h PHE 16 Ca -0.01 -0.19 0.00 0.00 3.98 0.00 0.00 57.97 61.75 2kax h PHE 16 Cb 1.22 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 39.58 2kax h PHE 16 CO 0.02 0.87 0.00 1.25 -2.02 0.00 0.00 178.31 178.43 2kax h HIS 17 N 0.31 0.00 0.00 0.41 2.76 -1.47 0.15 115.15 117.31 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 0.72 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.68 2kax h HIS 17 CO 0.07 0.00 -0.00 -0.22 -1.30 0.00 0.00 177.93 176.48 2kax h LYS 18 N 0.00 0.00 0.00 5.26 3.11 -1.44 -0.67 116.57 122.83 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 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.64 2kax h LYS 18 CO 0.00 0.00 -0.75 0.66 -2.81 0.00 0.00 179.45 176.55 2kax n TYR 19 N -3.25 0.00 0.06 1.91 4.01 -0.57 -4.72 117.16 114.60 2kax n TYR 19 Ca -0.03 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.60 2kax n TYR 19 Cb 0.08 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 38.98 2kax n TYR 19 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2kax h SER 20 N 0.00 0.18 -0.01 7.72 4.64 -1.11 -3.42 113.55 121.55 2kax h SER 20 Ca 0.00 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2kax h SER 20 Cb 0.51 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2kax h SER 20 CO 0.00 1.18 0.00 0.61 -0.87 0.00 0.00 176.83 177.75 2kax n GLY 21 N 1.49 2.08 0.11 -0.77 0.00 -0.26 -3.75 105.19 104.08 2kax n GLY 21 Ca -0.08 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 0.13 0.15 0.00 1.61 -0.00 -1.82 -3.49 114.38 110.96 2kax h ARG 22 Ca 0.00 -0.25 0.00 0.00 -0.50 0.00 0.00 59.98 59.23 2kax h ARG 22 Cb 1.01 0.09 0.00 0.00 0.00 0.00 0.00 29.97 31.07 2kax h ARG 22 CO 0.01 0.88 0.00 0.39 0.00 0.00 0.00 179.97 181.25 2kax n GLU 23 N -3.28 0.00 -1.15 0.04 1.02 -1.25 -5.18 120.64 110.84 2kax n GLU 23 Ca -0.24 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.70 2kax n GLU 23 Cb 1.05 0.00 0.16 0.00 -0.02 0.00 0.00 31.44 32.62 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 -1.80 2.38 0.62 0.00 -1.26 -4.39 105.19 100.75 2kax n GLY 24 Ca 0.00 -1.63 -0.20 0.00 0.00 0.00 0.00 46.02 44.19 2kax n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kax n SER 25 N -3.83 -5.66 0.25 1.61 7.64 -1.26 -4.90 113.62 107.46 2kax n SER 25 Ca 0.11 -0.00 0.16 0.00 1.01 0.00 0.00 58.87 60.15 2kax n SER 25 Cb 0.41 -4.70 0.85 0.00 -1.01 0.00 0.00 64.21 59.76 2kax n SER 25 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2kax h LYS 26 N 0.00 0.00 0.00 1.43 2.10 -1.83 0.40 116.57 118.68 2kax h LYS 26 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2kax h LYS 26 Cb 1.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 2kax h LYS 26 CO 0.56 0.00 -0.02 1.37 -2.00 0.00 0.00 179.45 179.36 2kax h LEU 27 N 0.00 0.00 -9.50 7.07 -0.00 -1.92 -3.44 115.31 107.52 2kax h LEU 27 Ca 0.00 -0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.31 2kax h LEU 27 Cb 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 40.61 2kax h LEU 27 CO 0.00 0.00 -0.53 0.42 -0.00 0.00 0.00 178.44 178.33 2kax s THR 28 N -3.12 0.79 0.22 0.15 -4.23 0.13 -3.69 115.64 105.89 2kax s THR 28 Ca 0.10 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.42 2kax s THR 28 Cb 0.11 -2.39 0.03 0.00 1.34 0.00 0.00 72.50 71.59 2kax s THR 28 CO 0.61 0.00 0.59 -1.48 -0.54 0.00 0.00 174.62 173.81 2kax s LEU 29 N -3.63 -0.10 0.48 4.79 2.34 0.07 -4.55 118.68 118.08 2kax s LEU 29 Ca 0.23 -0.50 -0.21 0.00 0.06 0.00 0.00 54.13 53.71 2kax s LEU 29 Cb 0.03 2.36 -0.07 0.00 -0.56 0.00 0.00 46.19 47.95 2kax s LEU 29 CO 0.13 -1.14 1.10 -0.94 -1.06 0.00 0.00 176.35 174.44 2kax s SER 30 N -2.88 6.17 0.50 1.48 1.04 -1.26 -0.63 113.70 118.12 2kax s SER 30 Ca 0.10 2.12 0.23 0.00 0.48 0.00 0.00 55.95 58.88 2kax s SER 30 Cb -0.03 -2.58 1.30 0.00 0.10 0.00 0.00 66.02 64.82 2kax s SER 30 CO 0.00 -0.91 1.97 -0.09 0.98 0.00 0.00 173.24 175.19 2kax h ARG 31 N 1.73 0.12 0.02 4.02 2.43 0.10 0.13 114.38 122.92 2kax h ARG 31 Ca -0.49 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 58.46 2kax h ARG 31 Cb 1.24 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 2kax h ARG 31 CO 0.59 0.08 -0.95 -0.22 -1.51 0.00 0.00 179.97 177.96 2kax h LYS 32 N 0.12 0.22 0.01 0.20 3.11 -1.48 -3.21 116.57 115.53 2kax h LYS 32 Ca 0.29 -0.26 -0.19 0.00 -2.81 0.00 0.00 60.65 57.68 2kax h LYS 32 Cb 1.00 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 32.29 2kax h LYS 32 CO -0.04 1.02 -0.90 1.49 -2.81 0.00 0.00 179.45 178.21 2kax h GLU 33 N 0.11 0.04 -0.99 1.90 4.57 -1.10 -2.47 114.58 116.64 2kax h GLU 33 Ca -0.06 -0.05 0.13 0.00 -1.18 0.00 0.00 59.36 58.19 2kax h GLU 33 Cb 1.61 0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 30.13 2kax h GLU 33 CO 0.15 0.91 0.63 1.25 -1.18 0.00 0.00 179.01 180.76 2kax h LEU 34 N 0.02 0.90 -0.62 1.64 5.85 -1.25 0.60 115.31 122.44 2kax h LEU 34 Ca -0.02 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 2kax h LEU 34 Cb 1.58 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 2kax h LEU 34 CO 0.12 0.47 0.13 0.50 -0.34 0.00 0.00 178.44 179.32 2kax h LYS 35 N 0.96 1.02 -0.44 1.25 3.64 -1.49 -2.13 116.57 119.37 2kax h LYS 35 Ca 0.49 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 2kax h LYS 35 Cb 0.53 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2kax h LYS 35 CO -0.26 0.93 0.23 1.49 -2.27 0.00 0.00 179.45 179.58 2kax h GLU 36 N 0.93 0.62 -0.08 1.90 4.57 -0.82 -0.21 114.58 121.48 2kax h GLU 36 Ca 0.19 -0.08 0.04 0.00 -1.18 0.00 0.00 59.36 58.34 2kax h GLU 36 Cb 0.39 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.81 2kax h GLU 36 CO 0.01 0.51 -0.26 1.25 -1.18 0.00 0.00 179.01 179.33 2kax h LEU 37 N 0.58 -0.80 -0.92 1.64 5.85 -0.88 -0.66 115.31 120.12 2kax h LEU 37 Ca 0.15 0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.89 2kax h LEU 37 Cb 0.07 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2kax h LEU 37 CO -0.02 -0.32 -0.34 0.40 -0.34 0.00 0.00 178.44 177.82 2kax h ILE 38 N -0.36 1.28 0.00 4.05 2.04 -1.19 0.30 117.51 123.64 2kax h ILE 38 Ca 0.08 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.55 2kax h ILE 38 Cb 0.49 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 2kax h ILE 38 CO -0.28 0.43 0.00 0.11 0.00 0.00 0.00 178.15 178.41 2kax h LYS 39 N 0.33 0.00 0.00 2.37 1.79 -0.69 -2.95 116.57 117.41 2kax h LYS 39 Ca 0.04 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.22 2kax h LYS 39 Cb 0.75 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.35 2kax h LYS 39 CO 0.06 0.00 -2.04 1.63 -1.08 0.00 0.00 179.45 178.02 2kax n LYS 40 N -2.43 0.43 0.09 3.15 4.01 -0.28 -4.71 118.16 118.41 2kax n LYS 40 Ca 0.04 0.13 0.12 0.00 -0.51 0.00 0.00 58.31 58.10 2kax n LYS 40 Cb 0.39 -1.29 0.16 0.00 -0.51 0.00 0.00 35.03 33.79 2kax n LYS 40 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 2kax h GLU 41 N -0.27 0.00 0.00 1.97 4.39 -1.12 -3.45 114.58 116.10 2kax h GLU 41 Ca -0.43 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 58.72 2kax h GLU 41 Cb 1.54 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 30.13 2kax h GLU 41 CO -0.15 0.00 -0.29 -0.11 -1.16 0.00 0.00 179.01 177.30 2kax n LEU 42 N -2.34 0.00 -3.68 1.33 -0.00 -1.12 -5.05 117.00 106.15 2kax n LEU 42 Ca 0.03 -2.70 -0.10 0.00 -0.00 0.00 0.00 56.01 53.24 2kax n LEU 42 Cb 0.47 0.03 -0.09 0.00 -0.00 0.00 0.00 43.42 43.83 2kax n LEU 42 CO 0.36 -0.53 0.19 0.00 -0.00 0.00 0.00 177.39 177.41 2kax n LEU 44 N 3.95 0.00 -0.99 0.00 -0.00 -1.26 -4.90 117.00 113.81 2kax n LEU 44 Ca -0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 55.79 2kax n LEU 44 Cb 0.57 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 44.01 2kax n LEU 44 CO 0.05 0.00 0.50 0.61 -0.00 0.00 0.00 177.39 178.55 2kax n GLY 45 N 0.00 2.08 0.56 1.47 0.00 -1.26 -3.40 105.19 104.63 2kax n GLY 45 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 0.27 0.00 -3.64 1.61 0.00 -1.26 -5.13 120.64 112.48 2kax n GLU 46 Ca 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 57.16 56.88 2kax n GLU 46 Cb 0.54 0.31 -0.05 0.00 0.00 0.00 0.00 31.44 32.24 2kax n GLU 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kax s MET 47 N 0.00 0.08 1.74 3.44 0.23 -1.22 -5.17 119.30 118.40 2kax s MET 47 Ca 0.00 0.04 0.00 0.00 -1.03 0.00 0.00 55.69 54.70 2kax s MET 47 Cb 0.00 0.04 0.00 0.00 -1.53 0.00 0.00 34.83 33.34 2kax s MET 47 CO 0.00 -0.02 0.00 1.63 -2.03 0.00 0.00 175.02 174.60 2kax n LYS 48 N 0.82 0.00 -2.35 3.16 4.76 -1.26 -4.68 118.16 118.61 2kax n LYS 48 Ca -0.03 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.16 2kax n LYS 48 Cb 0.58 0.00 0.06 0.00 -1.84 0.00 0.00 35.03 33.83 2kax n LYS 48 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2kax s GLU 49 N 0.00 2.37 0.00 1.97 8.01 -1.26 -4.97 118.70 124.82 2kax s GLU 49 Ca 0.00 -0.38 0.03 0.00 0.01 0.00 0.00 54.97 54.63 2kax s GLU 49 Cb 0.00 -2.27 0.15 0.00 -4.31 0.00 0.00 34.13 27.70 2kax s GLU 49 CO 0.00 -1.03 0.64 -1.13 0.01 0.00 0.00 175.26 173.74 2kax n SER 50 N -2.72 0.00 0.09 -0.19 3.41 -1.26 -2.81 113.62 110.15 2kax n SER 50 Ca 0.08 -0.92 0.08 0.00 -0.26 0.00 0.00 58.87 57.84 2kax n SER 50 Cb 0.60 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 64.93 2kax n SER 50 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2kax n SER 51 N -0.58 0.36 0.19 4.04 3.41 -1.26 -1.30 113.62 118.48 2kax n SER 51 Ca 0.02 0.64 0.14 0.00 -0.26 0.00 0.00 58.87 59.41 2kax n SER 51 Cb 0.01 -0.70 0.58 0.00 -0.26 0.00 0.00 64.21 63.84 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 0.00 0.01 -1.33 -0.00 -1.87 -3.35 117.51 110.97 2kax h ILE 52 Ca 0.00 -0.33 -0.00 0.00 -0.00 0.00 0.00 64.86 64.53 2kax h ILE 52 Cb 0.11 1.16 0.00 0.00 -0.00 0.00 0.00 36.82 38.08 2kax h ILE 52 CO 0.00 0.00 -0.00 -0.78 -0.00 0.00 0.00 178.15 177.37 2kax h ASP 53 N 0.00 -0.01 0.15 2.16 3.58 -1.49 -3.33 116.42 117.49 2kax h ASP 53 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2kax h ASP 53 Cb 0.41 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.46 2kax h ASP 53 CO 0.00 0.46 -0.03 -0.78 -2.88 0.00 0.00 179.24 176.02 2kax h ASP 54 N -0.95 0.00 0.11 2.28 3.58 -1.69 0.11 116.42 119.85 2kax h ASP 54 Ca -0.00 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.27 2kax h ASP 54 Cb 0.01 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.07 2kax h ASP 54 CO 0.00 0.03 -0.83 -0.07 -2.88 0.00 0.00 179.24 175.49 2kax h LEU 55 N 0.00 0.37 -0.58 2.28 3.38 -1.78 -3.15 115.31 115.82 2kax h LEU 55 Ca -0.00 -0.93 -0.03 0.00 0.09 0.00 0.00 57.88 57.02 2kax h LEU 55 Cb 0.11 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2kax h LEU 55 CO 0.00 1.38 0.27 0.24 0.09 0.00 0.00 178.44 180.42 2kax h MET 56 N -0.47 0.85 0.00 1.13 2.86 -1.14 -0.73 114.93 117.43 2kax h MET 56 Ca -0.16 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 2kax h MET 56 Cb 1.56 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 33.07 2kax h MET 56 CO 0.10 0.70 0.00 0.36 1.06 0.00 0.00 176.91 179.13 2kax n LYS 57 N -4.52 0.00 0.00 1.72 -0.00 -0.43 -1.92 118.16 113.01 2kax n LYS 57 Ca 0.03 0.27 0.12 0.00 -0.00 0.00 0.00 58.31 58.74 2kax n LYS 57 Cb 0.14 -1.51 0.16 0.00 -0.00 0.00 0.00 35.03 33.82 2kax n LYS 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2kax n SER 58 N -1.52 1.89 -0.03 -5.58 2.88 -0.32 -3.85 113.62 107.09 2kax n SER 58 Ca 0.03 -1.44 -0.22 0.00 -1.33 0.00 0.00 58.87 55.91 2kax n SER 58 Cb 0.16 0.26 -0.13 0.00 -0.75 0.00 0.00 64.21 63.75 2kax n SER 58 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2kax h LEU 59 N 2.52 0.26 0.00 2.46 3.38 -0.87 -3.33 115.31 119.72 2kax h LEU 59 Ca 0.00 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.20 2kax h LEU 59 Cb 0.71 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2kax h LEU 59 CO 0.00 1.67 0.00 0.47 0.09 0.00 0.00 178.44 180.67 2kax n ASP 60 N -3.93 0.00 0.11 -0.43 8.00 -1.14 -1.92 116.55 117.25 2kax n ASP 60 Ca -0.30 0.08 0.19 0.00 0.71 0.00 0.00 54.79 55.47 2kax n ASP 60 Cb 0.88 -0.14 0.76 0.00 -0.02 0.00 0.00 41.12 42.59 2kax n ASP 60 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2kax h LYS 61 N 0.00 0.00 0.00 -1.24 1.63 -1.67 -3.41 116.57 111.88 2kax h LYS 61 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2kax h LYS 61 Cb 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 2kax h LYS 61 CO 0.00 0.00 0.00 0.09 -3.45 0.00 0.00 179.45 176.09 2kax n ASN 62 N -3.95 0.00 0.00 4.20 4.13 -0.81 -5.07 115.26 113.77 2kax n ASN 62 Ca 0.06 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.32 2kax n ASN 62 Cb 0.50 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 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 -1.15 0.00 -1.87 6.41 2.88 -0.92 -4.61 113.62 114.36 2kax n SER 63 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 2kax n SER 63 Cb 0.00 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 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 0.91 4.63 -4.23 -3.46 9.92 -1.26 -1.30 116.55 121.76 2kax n ASP 64 Ca 0.00 -3.12 -0.27 0.00 -0.53 0.00 0.00 54.79 50.87 2kax n ASP 64 Cb 0.00 -0.83 -0.15 0.00 -0.64 0.00 0.00 41.12 39.50 2kax n ASP 64 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 2kax s GLN 65 N -2.24 1.61 0.27 -1.24 0.74 -1.26 -4.95 119.66 112.59 2kax s GLN 65 Ca 0.38 -0.80 -0.20 0.00 0.05 0.00 0.00 55.36 54.79 2kax s GLN 65 Cb 0.32 -1.61 -0.09 0.00 1.10 0.00 0.00 33.01 32.73 2kax s GLN 65 CO 0.04 0.43 0.78 -1.21 -0.55 0.00 0.00 175.29 174.79 2kax s GLU 66 N -0.68 4.27 0.02 1.67 2.02 -1.26 -0.15 118.70 124.59 2kax s GLU 66 Ca 0.08 0.94 0.00 0.00 0.02 0.00 0.00 54.97 56.01 2kax s GLU 66 Cb -0.08 -2.75 -0.02 0.00 0.10 0.00 0.00 34.13 31.38 2kax s GLU 66 CO -0.00 0.31 -0.03 0.42 0.02 0.00 0.00 175.26 175.98 2kax s ILE 67 N -1.65 0.17 0.48 -1.63 1.01 0.20 -4.86 121.20 114.92 2kax s ILE 67 Ca 0.47 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 60.45 2kax s ILE 67 Cb -0.16 -0.27 0.04 0.00 0.01 0.00 0.00 42.46 42.09 2kax s ILE 67 CO 0.20 -0.35 0.36 -0.90 0.00 0.00 0.00 174.94 174.26 2kax n ASP 68 N 1.94 2.53 -0.22 3.58 5.75 -1.26 -0.75 116.55 128.12 2kax n ASP 68 Ca -0.21 -2.65 0.12 0.00 -0.01 0.00 0.00 54.79 52.04 2kax n ASP 68 Cb 0.56 -0.04 0.41 0.00 -1.03 0.00 0.00 41.12 41.02 2kax n ASP 68 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2kax h PHE 69 N 0.64 0.71 0.01 2.11 3.57 -1.97 -0.49 116.94 121.51 2kax h PHE 69 Ca -0.30 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.22 2kax h PHE 69 Cb 1.11 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.63 2kax h PHE 69 CO 0.00 0.29 -0.00 -0.22 -2.23 0.00 0.00 178.31 176.15 2kax h LYS 70 N 0.63 -0.01 -0.24 1.11 3.11 -1.96 -1.29 116.57 117.92 2kax h LYS 70 Ca 0.39 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 58.20 2kax h LYS 70 Cb 0.65 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.87 2kax h LYS 70 CO -0.16 0.64 -0.01 0.93 -2.81 0.00 0.00 179.45 178.05 2kax h GLU 71 N -0.68 0.35 -0.08 1.90 4.39 -1.95 -0.69 114.58 117.81 2kax h GLU 71 Ca -0.00 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2kax h GLU 71 Cb 0.66 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2kax h GLU 71 CO 0.00 0.39 0.02 -0.92 -1.16 0.00 0.00 179.01 177.34 2kax h TYR 72 N 0.34 0.13 -0.49 4.33 3.20 -1.01 -0.83 116.97 122.65 2kax h TYR 72 Ca 0.08 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.83 2kax h TYR 72 Cb 0.25 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 2kax h TYR 72 CO 0.01 0.31 -0.09 0.66 -1.64 0.00 0.00 178.16 177.41 2kax h SER 73 N -0.08 0.92 0.78 -2.11 4.64 -0.73 -1.84 113.55 115.13 2kax h SER 73 Ca 0.02 -0.35 -0.12 0.00 -0.47 0.00 0.00 61.79 60.87 2kax h SER 73 Cb 0.24 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2kax h SER 73 CO 0.00 1.06 -0.59 -0.37 -0.87 0.00 0.00 176.83 176.06 2kax h VAL 74 N 0.78 1.28 -0.14 0.95 -1.51 -1.17 -1.45 116.25 114.99 2kax h VAL 74 Ca 0.13 -2.11 -0.06 0.00 -1.23 0.00 0.00 66.70 63.43 2kax h VAL 74 Cb 0.64 2.18 -0.00 0.00 -2.13 0.00 0.00 31.29 31.98 2kax h VAL 74 CO 0.04 0.58 -0.13 0.15 -1.23 0.00 0.00 177.57 176.97 2kax h PHE 75 N 0.00 0.41 -0.37 5.19 3.04 -0.98 0.26 116.94 124.49 2kax h PHE 75 Ca -0.01 -0.12 0.02 0.00 3.98 0.00 0.00 57.97 61.84 2kax h PHE 75 Cb 1.14 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.54 2kax h PHE 75 CO 0.00 0.73 0.21 -0.07 -2.02 0.00 0.00 178.31 177.16 2kax h LEU 76 N -0.03 0.35 -0.66 0.59 3.38 -1.36 -0.64 115.31 116.93 2kax h LEU 76 Ca 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2kax h LEU 76 Cb 0.66 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2kax h LEU 76 CO 0.03 0.25 0.16 0.74 0.09 0.00 0.00 178.44 179.72 2kax h THR 77 N 0.44 1.26 -0.62 0.22 2.02 -1.24 -0.76 112.91 114.23 2kax h THR 77 Ca 0.15 -0.94 -0.06 0.00 0.77 0.00 0.00 66.41 66.32 2kax h THR 77 Cb 0.01 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 2kax h THR 77 CO -0.07 0.36 0.16 -0.03 0.37 0.00 0.00 175.52 176.31 2kax h MET 78 N 0.99 0.98 0.31 6.66 1.85 -0.28 0.19 114.93 125.63 2kax h MET 78 Ca 0.21 -0.23 -0.02 0.00 -0.61 0.00 0.00 59.70 59.05 2kax h MET 78 Cb 0.36 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.26 2kax h MET 78 CO 0.00 0.89 -0.15 1.25 -0.40 0.00 0.00 176.91 178.50 2kax h LEU 79 N 0.90 -0.36 -0.77 3.39 7.12 -0.88 -0.81 115.31 123.91 2kax h LEU 79 Ca 0.19 -0.06 0.05 0.00 0.13 0.00 0.00 57.88 58.20 2kax h LEU 79 Cb 0.35 0.09 -0.05 0.00 -0.53 0.00 0.00 40.66 40.51 2kax h LEU 79 CO 0.00 -0.17 0.47 0.00 -0.13 0.00 0.00 178.44 178.62 2kax h MET 81 N 0.89 0.00 -0.14 0.00 1.85 -0.94 -0.22 114.93 116.37 2kax h MET 81 Ca 0.33 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.42 2kax h MET 81 Cb 0.10 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.13 2kax h MET 81 CO -0.15 0.21 0.00 0.00 -0.40 0.00 0.00 176.91 176.57 2kax n ALA 82 N -2.39 2.53 -0.20 0.39 0.00 -0.23 -4.57 120.51 116.04 2kax n ALA 82 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2kax n ALA 82 Cb 0.29 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 0.32 0.00 -2.67 0.00 0.18 -1.03 -4.73 117.16 109.22 2kax n TYR 83 Ca 0.17 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.53 2kax n TYR 83 Cb 0.34 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.27 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 0.00 6.20 0.00 9.48 2.47 -0.10 -4.84 114.94 128.14 2kax s ASN 84 Ca 0.00 -0.58 0.26 0.00 0.42 0.00 0.00 52.86 52.96 2kax s ASN 84 Cb 0.00 -2.51 0.64 0.00 -1.45 0.00 0.00 41.25 37.94 2kax s ASN 84 CO 0.00 -1.65 1.50 -0.90 -3.72 0.00 0.00 177.10 172.34 2kax n ASP 85 N 8.65 0.52 0.00 -4.21 5.75 -1.26 -4.41 116.55 121.59 2kax n ASP 85 Ca 0.01 -0.27 0.11 0.00 -0.01 0.00 0.00 54.79 54.62 2kax n ASP 85 Cb 0.48 0.15 0.60 0.00 -1.03 0.00 0.00 41.12 41.32 2kax n ASP 85 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2kax n PHE 86 N -1.37 0.00 -0.89 2.11 3.01 -1.26 -0.66 117.46 118.41 2kax n PHE 86 Ca 0.07 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.61 2kax n PHE 86 Cb 0.33 -0.07 0.18 0.00 -0.01 0.00 0.00 39.48 39.91 2kax n PHE 86 CO 0.00 0.00 0.00 1.97 1.01 0.00 0.00 176.76 179.74 2kax n PHE 87 N -1.07 0.43 0.00 1.38 -1.74 -1.26 -5.00 117.46 110.20 2kax n PHE 87 Ca 0.14 -0.87 0.00 0.00 -0.56 0.00 0.00 57.45 56.16 2kax n PHE 87 Cb 0.10 -0.20 0.00 0.00 1.52 0.00 0.00 39.48 40.89 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 -0.83 0.00 0.00 5.98 4.32 0.16 -5.11 117.00 121.53 2kax n LEU 88 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.16 2kax n LEU 88 Cb 0.70 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.50 2kax n LEU 88 CO 0.07 0.00 0.00 1.21 -1.22 0.00 0.00 177.39 177.45 2kax n GLU 89 N 0.00 0.00 -2.95 3.23 2.13 -1.26 -5.02 120.64 116.77 2kax n GLU 89 Ca 0.00 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 2kax n GLU 89 Cb 0.00 0.00 0.03 0.00 0.27 0.00 0.00 31.44 31.74 2kax n GLU 89 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2kax n ASP 90 N -0.19 -5.85 0.06 4.31 2.03 -1.26 -4.95 116.55 110.70 2kax n ASP 90 Ca 0.00 -0.25 -0.12 0.00 0.52 0.00 0.00 54.79 54.94 2kax n ASP 90 Cb 0.00 -4.76 -0.09 0.00 -0.72 0.00 0.00 41.12 35.56 2kax n ASP 90 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 2kax h ASN 91 N -1.13 -0.17 0.00 1.67 -0.73 -2.03 -3.57 115.58 109.62 2kax h ASN 91 Ca -0.51 -0.34 0.00 0.00 1.87 0.00 0.00 56.30 57.32 2kax h ASN 91 Cb 1.36 0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.99 2kax h ASN 91 CO 0.57 0.29 0.00 0.29 -0.37 0.00 0.00 177.43 178.21