#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 -0.05 -2.38 0.03 0.00 -1.26 -4.68 120.64 112.30 2kax n GLU 2 Ca 0.00 0.95 -0.31 0.00 0.00 0.00 0.00 57.16 57.80 2kax n GLU 2 Cb 0.00 -1.46 -0.02 0.00 0.00 0.00 0.00 31.44 29.96 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 -5.62 4.67 0.22 3.84 -4.23 -1.26 -4.99 115.64 108.27 2kax s THR 3 Ca -0.09 0.90 -0.04 0.00 -1.18 0.00 0.00 61.69 61.29 2kax s THR 3 Cb 0.18 -3.78 0.03 0.00 1.34 0.00 0.00 72.50 70.27 2kax s THR 3 CO 0.48 -0.79 1.63 1.55 -0.54 0.00 0.00 174.62 176.96 2kax h PRO 4 N 0.60 0.73 -0.50 3.99 0.13 -2.02 -3.07 132.00 131.86 2kax h PRO 4 Ca -0.46 -0.30 -0.09 0.00 -0.87 0.00 0.00 66.00 64.28 2kax h PRO 4 Cb 1.19 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2kax h PRO 4 CO 0.62 0.90 -0.04 1.25 -0.23 0.00 0.00 178.00 180.50 2kax h LEU 5 N 0.64 0.85 -0.77 1.56 5.85 -1.97 -2.28 115.31 119.19 2kax h LEU 5 Ca 0.09 -0.23 0.13 0.00 0.84 0.00 0.00 57.88 58.70 2kax h LEU 5 Cb 0.75 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 41.46 2kax h LEU 5 CO 0.06 0.94 0.34 -0.08 -0.34 0.00 0.00 178.44 179.36 2kax h GLU 6 N 0.80 0.50 -0.46 1.25 4.57 -1.89 -0.75 114.58 118.60 2kax h GLU 6 Ca 0.14 -0.03 0.13 0.00 -1.18 0.00 0.00 59.36 58.42 2kax h GLU 6 Cb 0.54 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 2kax h GLU 6 CO 0.03 0.33 0.43 0.87 -1.18 0.00 0.00 179.01 179.49 2kax h LYS 7 N 0.52 0.00 0.09 1.92 6.56 -1.32 0.20 116.57 124.53 2kax h LYS 7 Ca 0.41 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 60.00 2kax h LYS 7 Cb 0.58 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.24 2kax h LYS 7 CO -0.37 0.00 -0.04 0.00 -2.06 0.00 0.00 179.45 176.98 2kax h ALA 8 N 1.57 -0.12 -0.28 3.86 0.00 -1.20 -2.02 119.26 121.07 2kax h ALA 8 Ca 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2kax h ALA 8 Cb 1.08 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2kax h ALA 8 CO -0.00 -0.37 0.14 -0.07 0.00 0.00 0.00 179.25 178.95 2kax h LEU 9 N -0.52 0.36 -0.73 0.00 -0.00 -1.05 -0.87 115.31 112.50 2kax h LEU 9 Ca -0.01 -0.11 0.10 0.00 -0.00 0.00 0.00 57.88 57.85 2kax h LEU 9 Cb 0.44 -0.09 -0.07 0.00 -0.00 0.00 0.00 40.66 40.93 2kax h LEU 9 CO 0.02 0.38 0.36 0.74 -0.00 0.00 0.00 178.44 179.94 2kax h THR 10 N 0.33 0.83 -0.58 0.22 2.02 -0.79 0.26 112.91 115.19 2kax h THR 10 Ca 0.10 -0.21 -0.07 0.00 0.77 0.00 0.00 66.41 67.00 2kax h THR 10 Cb 0.10 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 2kax h THR 10 CO -0.01 0.11 0.09 0.74 0.37 0.00 0.00 175.52 176.82 2kax h THR 11 N 0.60 1.26 0.33 3.16 2.02 -1.04 -0.96 112.91 118.27 2kax h THR 11 Ca 0.37 -0.98 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 2kax h THR 11 Cb 0.41 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 2kax h THR 11 CO -0.28 0.36 -0.29 0.24 0.37 0.00 0.00 175.52 175.92 2kax h MET 12 N 0.85 -0.60 0.00 6.66 2.07 -0.32 -1.54 114.93 122.05 2kax h MET 12 Ca 0.17 0.04 -0.11 0.00 -2.07 0.00 0.00 59.70 57.74 2kax h MET 12 Cb 0.42 0.14 -0.02 0.00 -1.87 0.00 0.00 31.60 30.27 2kax h MET 12 CO 0.01 -0.40 -0.53 -0.39 1.07 0.00 0.00 176.91 176.67 2kax h VAL 13 N -0.63 1.29 0.17 -2.22 -1.51 -0.87 -1.84 116.25 110.64 2kax h VAL 13 Ca -0.02 -1.86 -0.01 0.00 -1.23 0.00 0.00 66.70 63.59 2kax h VAL 13 Cb 0.56 2.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.75 2kax h VAL 13 CO -0.03 0.52 -0.08 0.71 -1.23 0.00 0.00 177.57 177.45 2kax h THR 14 N 0.00 0.89 -0.60 7.19 1.35 -1.19 -2.78 112.91 117.77 2kax h THR 14 Ca -0.01 -1.03 0.04 0.00 -0.55 0.00 0.00 66.41 64.86 2kax h THR 14 Cb 0.98 1.44 -0.05 0.00 -1.73 0.00 0.00 68.15 68.80 2kax h THR 14 CO 0.07 0.21 0.34 0.71 -0.25 0.00 0.00 175.52 176.60 2kax h THR 15 N -0.80 1.01 -0.73 6.82 1.35 -1.26 -2.34 112.91 116.95 2kax h THR 15 Ca -0.02 -0.22 0.07 0.00 -0.55 0.00 0.00 66.41 65.68 2kax h THR 15 Cb 0.52 0.30 -0.05 0.00 -1.73 0.00 0.00 68.15 67.20 2kax h THR 15 CO 0.04 0.12 0.48 0.15 -0.25 0.00 0.00 175.52 176.06 2kax h PHE 16 N 0.65 0.76 -0.21 4.73 3.57 -1.44 -2.13 116.94 122.87 2kax h PHE 16 Ca 0.25 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.80 2kax h PHE 16 Cb 0.10 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 2kax h PHE 16 CO -0.07 0.40 0.14 1.25 -2.23 0.00 0.00 178.31 177.80 2kax h HIS 17 N 0.75 0.19 0.00 0.41 2.76 -1.12 -0.29 115.15 117.85 2kax h HIS 17 Ca 0.32 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.49 2kax h HIS 17 Cb 0.29 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.19 2kax h HIS 17 CO -0.00 0.11 0.00 -0.22 -1.30 0.00 0.00 177.93 176.52 2kax h LYS 18 N 0.20 0.00 0.00 5.26 3.11 -1.44 -2.32 116.57 121.38 2kax h LYS 18 Ca 0.09 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.93 2kax h LYS 18 Cb 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.34 2kax h LYS 18 CO -0.02 0.00 -0.01 0.66 -2.81 0.00 0.00 179.45 177.27 2kax n TYR 19 N -2.39 0.00 0.06 1.91 4.01 -0.15 -4.41 117.16 116.18 2kax n TYR 19 Ca -0.01 -0.50 0.00 0.00 -0.16 0.00 0.00 57.90 57.23 2kax n TYR 19 Cb 0.10 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 2kax n TYR 19 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2kax n SER 20 N -0.57 -0.05 -1.22 7.72 3.41 -0.99 -4.66 113.62 117.25 2kax n SER 20 Ca 0.02 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 2kax n SER 20 Cb 0.35 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2kax n SER 20 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kax n GLY 21 N 1.58 1.13 0.13 5.00 0.00 -0.88 -3.21 105.19 108.94 2kax n GLY 21 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2kax n GLY 21 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2kax h ARG 22 N 1.45 0.38 0.00 1.61 2.43 -1.75 -3.45 114.38 115.05 2kax h ARG 22 Ca 0.00 -0.66 0.00 0.00 -0.81 0.00 0.00 59.98 58.51 2kax h ARG 22 Cb 0.49 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2kax h ARG 22 CO 0.00 1.29 -0.12 0.39 -1.51 0.00 0.00 179.97 180.03 2kax n GLU 23 N -3.59 0.34 0.00 0.20 1.02 -1.20 -5.08 120.64 112.34 2kax n GLU 23 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 2kax n GLU 23 Cb 1.07 -0.56 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 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 1.04 2.36 3.65 0.62 0.00 -1.20 -5.11 105.19 106.55 2kax n GLY 24 Ca 0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2kax n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kax s SER 25 N 1.47 6.35 0.00 1.61 1.04 -1.26 -4.53 113.70 118.39 2kax s SER 25 Ca 0.00 2.41 0.20 0.00 0.48 0.00 0.00 55.95 59.03 2kax s SER 25 Cb 0.00 -2.53 0.59 0.00 0.10 0.00 0.00 66.02 64.18 2kax s SER 25 CO 0.00 -1.17 1.46 2.29 0.98 0.00 0.00 173.24 176.80 2kax n LYS 26 N 7.64 1.98 -0.26 4.02 2.85 -1.26 -3.42 118.16 129.70 2kax n LYS 26 Ca 0.21 -1.49 0.00 0.00 -1.05 0.00 0.00 58.31 55.98 2kax n LYS 26 Cb 0.42 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 33.39 2kax n LYS 26 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2kax n LEU 27 N 0.70 0.00 -4.14 -5.58 4.77 -1.26 -3.90 117.00 107.58 2kax n LEU 27 Ca 0.17 -0.56 -0.15 0.00 -0.03 0.00 0.00 56.01 55.44 2kax n LEU 27 Cb 0.40 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.38 2kax n LEU 27 CO 0.13 0.22 -0.42 0.42 -1.33 0.00 0.00 177.39 176.41 2kax s THR 28 N 0.00 0.88 0.18 -5.08 -4.23 -1.24 -3.69 115.64 102.46 2kax s THR 28 Ca 0.00 -1.40 -0.12 0.00 -1.18 0.00 0.00 61.69 58.99 2kax s THR 28 Cb 0.00 -1.09 0.00 0.00 1.34 0.00 0.00 72.50 72.76 2kax s THR 28 CO 0.00 -0.42 0.37 -1.48 -0.54 0.00 0.00 174.62 172.55 2kax s LEU 29 N -2.03 0.64 0.41 4.79 2.34 -0.16 -4.44 118.68 120.23 2kax s LEU 29 Ca -0.01 -0.79 -0.22 0.00 0.06 0.00 0.00 54.13 53.17 2kax s LEU 29 Cb -0.07 1.51 -0.10 0.00 -0.56 0.00 0.00 46.19 46.97 2kax s LEU 29 CO 0.01 -0.97 0.96 -0.94 -1.06 0.00 0.00 176.35 174.35 2kax s SER 30 N -2.95 6.97 0.54 1.48 1.04 -1.26 -0.62 113.70 118.90 2kax s SER 30 Ca 0.16 1.77 0.26 0.00 0.48 0.00 0.00 55.95 58.63 2kax s SER 30 Cb 0.02 -2.56 1.53 0.00 0.10 0.00 0.00 66.02 65.11 2kax s SER 30 CO 0.01 -0.33 2.14 0.03 0.98 0.00 0.00 173.24 176.06 2kax h ARG 31 N 2.24 0.00 -0.38 4.02 2.47 -1.42 -1.35 114.38 119.97 2kax h ARG 31 Ca -0.48 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.15 2kax h ARG 31 Cb 1.19 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.50 2kax h ARG 31 CO 0.62 0.08 -0.08 -0.22 0.56 0.00 0.00 179.97 180.92 2kax h LYS 32 N 0.00 0.72 -0.08 0.04 3.64 -1.84 -3.09 116.57 115.97 2kax h LYS 32 Ca -0.00 -0.27 -0.09 0.00 -1.27 0.00 0.00 60.65 59.02 2kax h LYS 32 Cb 0.19 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2kax h LYS 32 CO 0.01 0.86 -0.34 1.49 -2.27 0.00 0.00 179.45 179.20 2kax h GLU 33 N 0.52 0.16 0.08 1.90 4.81 -1.62 -1.95 114.58 118.48 2kax h GLU 33 Ca 0.10 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2kax h GLU 33 Cb 0.59 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2kax h GLU 33 CO 0.04 0.48 -0.04 1.25 -0.73 0.00 0.00 179.01 180.01 2kax h LEU 34 N 0.14 -0.09 -0.47 1.64 5.85 -1.34 0.74 115.31 121.78 2kax h LEU 34 Ca 0.02 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.66 2kax h LEU 34 Cb 0.67 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 2kax h LEU 34 CO 0.05 0.09 0.13 0.50 -0.34 0.00 0.00 178.44 178.87 2kax h LYS 35 N -0.26 0.27 -0.38 1.25 3.64 -1.43 -2.92 116.57 116.74 2kax h LYS 35 Ca -0.01 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2kax h LYS 35 Cb 0.23 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 2kax h LYS 35 CO 0.02 0.18 0.17 1.49 -2.27 0.00 0.00 179.45 179.04 2kax h GLU 36 N 0.28 0.34 -0.12 1.90 4.57 -1.15 -2.60 114.58 117.81 2kax h GLU 36 Ca 0.23 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.44 2kax h GLU 36 Cb 0.28 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.74 2kax h GLU 36 CO -0.27 0.23 -0.23 1.25 -1.18 0.00 0.00 179.01 178.80 2kax h LEU 37 N 0.35 -0.72 -1.58 1.64 6.46 -0.67 0.19 115.31 120.99 2kax h LEU 37 Ca 0.16 0.11 0.01 0.00 -0.12 0.00 0.00 57.88 58.05 2kax h LEU 37 Cb 0.10 0.32 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 2kax h LEU 37 CO -0.13 -0.28 0.30 0.40 -0.62 0.00 0.00 178.44 178.10 2kax h ILE 38 N -0.30 1.09 -0.02 4.05 2.04 -1.34 -0.94 117.51 122.08 2kax h ILE 38 Ca 0.10 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2kax h ILE 38 Cb 0.44 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2kax h ILE 38 CO -0.29 0.10 -0.02 0.29 0.00 0.00 0.00 178.15 178.23 2kax n LYS 39 N -4.47 1.82 -0.05 2.37 4.76 -0.66 -0.95 118.16 120.97 2kax n LYS 39 Ca 0.04 -1.24 -0.21 0.00 -2.87 0.00 0.00 58.31 54.03 2kax n LYS 39 Cb 0.09 -1.47 -0.13 0.00 -1.84 0.00 0.00 35.03 31.68 2kax n LYS 39 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2kax h LYS 40 N 3.03 0.10 0.00 1.97 1.79 0.65 -3.43 116.57 120.68 2kax h LYS 40 Ca 0.00 -0.18 -0.08 0.00 -2.18 0.00 0.00 60.65 58.21 2kax h LYS 40 Cb 0.66 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 2kax h LYS 40 CO 0.00 1.08 -0.73 1.05 -1.08 0.00 0.00 179.45 179.77 2kax h GLU 41 N -0.68 0.00 -5.82 3.15 -0.00 -1.48 -3.45 114.58 106.30 2kax h GLU 41 Ca -0.30 0.00 -0.56 0.00 -0.00 0.00 0.00 59.36 58.50 2kax h GLU 41 Cb 1.48 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 30.16 2kax h GLU 41 CO -0.07 0.36 1.71 -1.17 -0.00 0.00 0.00 179.01 179.84 2kax s LEU 42 N -8.12 3.55 0.08 3.06 0.20 -0.13 -4.81 118.68 112.51 2kax s LEU 42 Ca -0.19 -1.93 -0.34 0.00 0.69 0.00 0.00 54.13 52.36 2kax s LEU 42 Cb 0.03 -2.58 -0.18 0.00 -0.43 0.00 0.00 46.19 43.04 2kax s LEU 42 CO 0.35 -1.76 1.60 0.00 -0.29 0.00 0.00 176.35 176.24 2kax n LEU 44 N -5.53 0.00 0.00 0.00 4.77 -1.26 -4.62 117.00 110.35 2kax n LEU 44 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2kax n LEU 44 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2kax n LEU 44 CO 0.34 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2kax n GLY 45 N 0.00 1.27 0.00 -0.72 0.00 -1.26 -4.72 105.19 99.75 2kax n GLY 45 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 12.60 0.00 0.00 1.61 0.28 -1.26 -5.06 120.64 128.80 2kax n GLU 46 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2kax n GLU 46 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 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 0.00 -1.59 3.44 0.00 -1.26 -4.74 117.12 112.97 2kax n MET 47 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.38 2kax n MET 47 Cb 0.00 -1.44 0.06 0.00 0.00 0.00 0.00 33.22 31.84 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 -1.79 2.69 0.00 3.17 3.01 -1.26 -5.10 119.74 120.46 2kax s LYS 48 Ca 0.00 1.22 0.00 0.00 -1.01 0.00 0.00 55.97 56.18 2kax s LYS 48 Cb 0.00 -1.95 0.00 0.00 -1.01 0.00 0.00 37.83 34.87 2kax s LYS 48 CO 0.00 -1.31 0.00 0.39 0.51 0.00 0.00 175.35 174.94 2kax n GLU 49 N -2.87 1.54 0.00 1.68 1.02 -1.26 -5.10 120.64 115.65 2kax n GLU 49 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2kax n GLU 49 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 2kax n GLU 49 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2kax n SER 50 N 0.00 0.00 0.00 1.62 2.88 -1.26 -4.61 113.62 112.25 2kax n SER 50 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2kax n SER 50 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 0.00 -0.28 -3.46 7.64 -1.26 -4.43 113.62 111.83 2kax n SER 51 Ca 0.00 0.00 0.27 0.00 1.01 0.00 0.00 58.87 60.15 2kax n SER 51 Cb 0.00 0.00 0.62 0.00 -1.01 0.00 0.00 64.21 63.82 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 0.52 -0.02 0.44 -0.00 -1.93 -1.69 117.51 114.84 2kax h ILE 52 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 64.86 64.79 2kax h ILE 52 Cb 0.00 0.31 0.00 0.00 -0.00 0.00 0.00 36.82 37.13 2kax h ILE 52 CO 0.00 0.04 -0.29 -0.67 -0.00 0.00 0.00 178.15 177.23 2kax n ASP 53 N -4.41 2.22 0.01 2.16 2.03 -1.26 -3.29 116.55 114.02 2kax n ASP 53 Ca 0.23 -1.61 -0.18 0.00 0.52 0.00 0.00 54.79 53.74 2kax n ASP 53 Cb 0.96 0.32 -0.08 0.00 -0.72 0.00 0.00 41.12 41.60 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 2.95 0.90 -0.45 1.67 3.58 -1.66 0.95 116.42 124.35 2kax h ASP 54 Ca 0.00 -0.65 0.09 0.00 0.42 0.00 0.00 57.03 56.89 2kax h ASP 54 Cb 0.77 -0.27 -0.08 0.00 1.72 0.00 0.00 39.33 41.47 2kax h ASP 54 CO 0.00 1.45 -0.02 -0.07 -2.88 0.00 0.00 179.24 177.72 2kax h LEU 55 N 0.46 -0.24 -1.13 2.28 3.38 -1.56 0.24 115.31 118.74 2kax h LEU 55 Ca -0.09 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2kax h LEU 55 Cb 1.54 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.47 2kax h LEU 55 CO 0.18 -0.08 0.14 0.24 0.09 0.00 0.00 178.44 179.01 2kax h MET 56 N 0.09 0.75 0.00 1.13 2.86 -1.53 -1.41 114.93 116.82 2kax h MET 56 Ca 0.23 -0.14 -0.08 0.00 -2.06 0.00 0.00 59.70 57.65 2kax h MET 56 Cb 0.34 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2kax h MET 56 CO -0.40 0.67 -0.38 -0.22 1.06 0.00 0.00 176.91 177.64 2kax h LYS 57 N 0.73 0.00 0.00 1.72 3.11 0.09 -1.20 116.57 121.01 2kax h LYS 57 Ca 0.17 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.97 2kax h LYS 57 Cb 0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.47 2kax h LYS 57 CO -0.01 0.38 -0.18 1.03 -2.81 0.00 0.00 179.45 177.87 2kax h SER 58 N 0.00 0.00 0.48 4.20 0.87 0.43 0.12 113.55 119.65 2kax h SER 58 Ca -0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2kax h SER 58 Cb 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 2kax h SER 58 CO 0.05 0.18 -0.23 -0.07 -0.53 0.00 0.00 176.83 176.22 2kax h LEU 59 N 0.00 -0.55 -1.61 2.23 3.38 -0.84 -3.37 115.31 114.56 2kax h LEU 59 Ca -0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2kax h LEU 59 Cb 0.78 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2kax h LEU 59 CO 0.02 -0.16 0.11 -0.78 0.09 0.00 0.00 178.44 177.73 2kax h ASP 60 N -1.01 0.33 -0.33 -0.43 3.58 -1.02 -3.33 116.42 114.21 2kax h ASP 60 Ca -0.07 -0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.40 2kax h ASP 60 Cb 0.59 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.51 2kax h ASP 60 CO 0.11 0.30 -0.17 1.17 -2.88 0.00 0.00 179.24 177.76 2kax n LYS 61 N -4.43 -0.12 -3.64 0.28 3.00 0.01 -3.14 118.16 110.12 2kax n LYS 61 Ca 0.01 0.50 -0.27 0.00 -0.00 0.00 0.00 58.31 58.55 2kax n LYS 61 Cb 0.12 -0.74 -0.16 0.00 0.00 0.00 0.00 35.03 34.25 2kax n LYS 61 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2kax s ASN 62 N -5.15 2.74 0.01 3.14 -0.87 -1.25 -5.05 114.94 108.50 2kax s ASN 62 Ca -0.04 -0.81 0.24 0.00 -1.57 0.00 0.00 52.86 50.68 2kax s ASN 62 Cb 0.05 -0.38 0.25 0.00 -0.02 0.00 0.00 41.25 41.14 2kax s ASN 62 CO 0.22 -0.35 1.23 -1.20 -2.57 0.00 0.00 177.10 174.42 2kax n SER 63 N 5.19 0.65 -1.18 -1.22 7.64 -1.19 -4.64 113.62 118.88 2kax n SER 63 Ca -0.07 -0.45 -0.00 0.00 1.01 0.00 0.00 58.87 59.36 2kax n SER 63 Cb 0.47 0.51 0.23 0.00 -1.01 0.00 0.00 64.21 64.42 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 -1.56 3.31 -4.05 6.43 9.92 -1.26 -2.10 116.55 127.24 2kax n ASP 64 Ca 0.05 -3.41 -0.13 0.00 -0.53 0.00 0.00 54.79 50.77 2kax n ASP 64 Cb 0.35 -0.62 -0.12 0.00 -0.64 0.00 0.00 41.12 40.09 2kax n ASP 64 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2kax s GLN 65 N -3.06 0.50 0.44 -1.24 -0.21 -1.26 -5.06 119.66 109.77 2kax s GLN 65 Ca 0.45 -0.71 -0.21 0.00 0.02 0.00 0.00 55.36 54.91 2kax s GLN 65 Cb 0.39 -0.27 -0.10 0.00 1.00 0.00 0.00 33.01 34.03 2kax s GLN 65 CO 0.05 0.05 0.98 -1.21 -2.12 0.00 0.00 175.29 173.04 2kax s GLU 66 N -1.49 4.10 0.22 2.91 2.02 -1.26 -3.31 118.70 121.88 2kax s GLU 66 Ca -0.10 1.22 0.11 0.00 0.02 0.00 0.00 54.97 56.22 2kax s GLU 66 Cb -0.10 -2.19 -0.05 0.00 0.10 0.00 0.00 34.13 31.90 2kax s GLU 66 CO 0.00 -0.16 -0.21 0.96 0.02 0.00 0.00 175.26 175.87 2kax s ILE 67 N -2.07 2.27 0.69 -1.63 -4.36 0.21 -4.94 121.20 111.37 2kax s ILE 67 Ca 0.63 -2.14 -0.03 0.00 -0.26 0.00 0.00 60.65 58.85 2kax s ILE 67 Cb -0.12 -2.13 0.14 0.00 1.25 0.00 0.00 42.46 41.60 2kax s ILE 67 CO 0.16 -0.26 0.95 -0.90 0.24 0.00 0.00 174.94 175.13 2kax n ASP 68 N -0.04 1.00 0.00 4.36 5.75 -1.26 -0.99 116.55 125.37 2kax n ASP 68 Ca -0.10 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 2kax n ASP 68 Cb 0.58 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 2kax n ASP 68 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 2kax n PHE 69 N -2.87 0.00 -0.12 2.11 1.16 -1.24 -3.22 117.46 113.28 2kax n PHE 69 Ca 0.15 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.49 2kax n PHE 69 Cb 0.52 -0.21 -0.11 0.00 -1.61 0.00 0.00 39.48 38.08 2kax n PHE 69 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 2kax n LYS 70 N -1.14 0.57 -0.19 3.97 4.81 -1.26 -1.52 118.16 123.40 2kax n LYS 70 Ca 0.00 0.46 -0.00 0.00 -0.87 0.00 0.00 58.31 57.90 2kax n LYS 70 Cb 0.11 -1.65 0.08 0.00 0.02 0.00 0.00 35.03 33.59 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 -1.00 0.10 -0.46 1.64 4.39 -1.97 -0.11 114.58 117.17 2kax h GLU 71 Ca -0.46 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.26 2kax h GLU 71 Cb 1.39 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.98 2kax h GLU 71 CO -0.28 0.06 0.24 -0.92 -1.16 0.00 0.00 179.01 176.95 2kax h TYR 72 N 0.10 0.44 -0.23 4.33 3.20 -1.64 0.15 116.97 123.33 2kax h TYR 72 Ca 0.30 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 2kax h TYR 72 Cb 0.47 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 2kax h TYR 72 CO -0.37 0.23 0.03 1.03 -1.64 0.00 0.00 178.16 177.44 2kax h SER 73 N 0.48 0.38 0.51 -2.11 0.87 -0.91 -1.37 113.55 111.39 2kax h SER 73 Ca 0.20 -0.28 -0.08 0.00 -1.23 0.00 0.00 61.79 60.40 2kax h SER 73 Cb 0.09 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 2kax h SER 73 CO -0.13 0.56 -0.39 -0.37 -0.53 0.00 0.00 176.83 175.97 2kax h VAL 74 N 0.19 1.14 -0.04 2.23 -1.51 -0.64 -1.07 116.25 116.55 2kax h VAL 74 Ca 0.07 -1.39 -0.18 0.00 -1.23 0.00 0.00 66.70 63.97 2kax h VAL 74 Cb 0.35 1.78 0.01 0.00 -2.13 0.00 0.00 31.29 31.30 2kax h VAL 74 CO 0.01 0.38 -0.67 0.15 -1.23 0.00 0.00 177.57 176.20 2kax h PHE 75 N 0.00 0.75 -0.76 5.19 3.04 -0.63 0.22 116.94 124.74 2kax h PHE 75 Ca -0.00 -0.38 -0.01 0.00 3.98 0.00 0.00 57.97 61.55 2kax h PHE 75 Cb 0.74 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 39.12 2kax h PHE 75 CO 0.00 1.19 0.42 -0.07 -2.02 0.00 0.00 178.31 177.83 2kax h LEU 76 N 0.09 0.94 -0.06 0.59 3.38 -1.16 0.14 115.31 119.24 2kax h LEU 76 Ca -0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2kax h LEU 76 Cb 1.35 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 2kax h LEU 76 CO 0.13 0.76 0.01 0.74 0.09 0.00 0.00 178.44 180.17 2kax h THR 77 N 1.06 1.22 -0.24 0.22 2.02 -1.16 -2.20 112.91 113.83 2kax h THR 77 Ca 0.27 -0.67 -0.16 0.00 0.77 0.00 0.00 66.41 66.62 2kax h THR 77 Cb 0.02 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 2kax h THR 77 CO -0.04 0.19 -0.46 -0.03 0.37 0.00 0.00 175.52 175.54 2kax h MET 78 N -0.16 0.74 -0.23 6.66 1.85 -0.36 -0.63 114.93 122.81 2kax h MET 78 Ca 0.02 -0.47 -0.08 0.00 -0.61 0.00 0.00 59.70 58.55 2kax h MET 78 Cb 0.29 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.36 2kax h MET 78 CO 0.00 1.10 -0.20 1.25 -0.40 0.00 0.00 176.91 178.66 2kax h LEU 79 N 0.48 0.40 -0.27 3.39 5.85 -0.84 0.82 115.31 125.15 2kax h LEU 79 Ca 0.01 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2kax h LEU 79 Cb 1.06 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 2kax h LEU 79 CO 0.10 0.62 0.12 0.00 -0.34 0.00 0.00 178.44 178.94 2kax n MET 81 N -4.79 0.22 0.03 0.00 0.00 -0.26 -2.68 117.12 109.64 2kax n MET 81 Ca -0.02 0.34 0.07 0.00 -0.00 0.00 0.00 57.70 58.08 2kax n MET 81 Cb 0.11 -1.84 0.29 0.00 0.00 0.00 0.00 33.22 31.78 2kax n MET 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kax n ALA 82 N -1.78 1.48 -3.15 -5.12 0.00 0.24 -4.59 120.51 107.59 2kax n ALA 82 Ca 0.04 -0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.53 2kax n ALA 82 Cb 0.31 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 2kax n ALA 82 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2kax s TYR 83 N -3.09 -0.46 -0.37 0.00 1.13 -1.09 -4.96 117.35 108.51 2kax s TYR 83 Ca 0.04 0.40 0.12 0.00 -1.41 0.00 0.00 57.07 56.22 2kax s TYR 83 Cb 0.07 0.13 0.41 0.00 -1.10 0.00 0.00 41.96 41.47 2kax s TYR 83 CO 0.22 -0.26 1.34 0.27 -2.51 0.00 0.00 175.55 174.62 2kax n ASN 84 N 5.34 -1.22 -0.09 -0.18 0.23 -1.25 -4.86 115.26 113.22 2kax n ASN 84 Ca -0.01 -2.41 0.24 0.00 -0.53 0.00 0.00 54.58 51.87 2kax n ASN 84 Cb 0.55 0.68 0.70 0.00 -2.08 0.00 0.00 39.78 39.63 2kax n ASN 84 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 2kax h ASP 85 N 1.92 0.02 0.02 0.53 2.03 -1.94 -1.39 116.42 117.61 2kax h ASP 85 Ca -0.29 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.01 2kax h ASP 85 Cb 1.28 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 2kax h ASP 85 CO -0.02 0.01 0.00 0.49 -1.03 0.00 0.00 179.24 178.69 2kax n PHE 86 N -4.33 0.23 0.37 4.15 3.01 -1.26 -1.87 117.46 117.76 2kax n PHE 86 Ca 0.14 0.12 0.04 0.00 1.01 0.00 0.00 57.45 58.76 2kax n PHE 86 Cb 0.77 -0.69 0.04 0.00 -0.01 0.00 0.00 39.48 39.58 2kax n PHE 86 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2kax n PHE 87 N -1.73 0.00 -2.33 1.38 3.72 -0.52 -5.03 117.46 112.94 2kax n PHE 87 Ca -0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.31 2kax n PHE 87 Cb 0.02 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.60 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 0.49 0.00 -0.06 4.37 7.99 -0.78 -5.05 117.00 123.96 2kax n LEU 88 Ca 0.05 -0.74 0.01 0.00 -0.01 0.00 0.00 56.01 55.32 2kax n LEU 88 Cb 0.22 -0.24 0.02 0.00 -0.11 0.00 0.00 43.42 43.32 2kax n LEU 88 CO 0.06 -0.68 0.52 1.21 -1.51 0.00 0.00 177.39 176.98 2kax n GLU 89 N -1.67 2.86 0.00 3.23 4.07 -1.26 -4.86 120.64 123.00 2kax n GLU 89 Ca 0.06 -1.63 0.00 0.00 -0.06 0.00 0.00 57.16 55.52 2kax n GLU 89 Cb 0.21 -1.06 0.00 0.00 -0.06 0.00 0.00 31.44 30.52 2kax n GLU 89 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2kax n ASP 90 N -0.50 0.00 0.00 4.31 -0.08 -1.26 -5.06 116.55 113.96 2kax n ASP 90 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 2kax n ASP 90 Cb 0.30 0.22 0.00 0.00 2.34 0.00 0.00 41.12 43.97 2kax n ASP 90 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2kax n ASN 91 N -1.88 0.00 0.00 1.67 5.15 -1.26 -5.14 115.26 113.80 2kax n ASN 91 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2kax n ASN 91 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2kax n ASN 91 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95