#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 0.63 -1.21 0.03 4.71 -1.26 -4.75 120.64 118.79 2kax n GLU 2 Ca 0.00 0.19 -0.30 0.00 -0.01 0.00 0.00 57.16 57.04 2kax n GLU 2 Cb 0.00 -1.52 0.14 0.00 -1.01 0.00 0.00 31.44 29.05 2kax n GLU 2 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2kax s THR 3 N -2.52 2.66 0.14 2.62 -4.23 -1.26 -4.92 115.64 108.14 2kax s THR 3 Ca -0.36 0.22 -0.07 0.00 -1.18 0.00 0.00 61.69 60.30 2kax s THR 3 Cb 0.11 -2.71 -0.13 0.00 1.34 0.00 0.00 72.50 71.12 2kax s THR 3 CO 0.57 -0.28 1.38 1.55 -0.54 0.00 0.00 174.62 177.30 2kax h PRO 4 N -1.54 0.61 -0.44 3.99 0.13 -2.01 -2.97 132.00 129.77 2kax h PRO 4 Ca -0.49 -0.48 0.03 0.00 -0.87 0.00 0.00 66.00 64.18 2kax h PRO 4 Cb 1.28 0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.48 2kax h PRO 4 CO 0.55 1.11 0.24 1.25 -0.23 0.00 0.00 178.00 180.92 2kax h LEU 5 N 0.42 0.38 -2.00 1.56 5.85 -2.01 -2.44 115.31 117.07 2kax h LEU 5 Ca -0.04 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.85 2kax h LEU 5 Cb 1.34 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 2kax h LEU 5 CO 0.14 0.27 0.40 -0.08 -0.34 0.00 0.00 178.44 178.83 2kax h GLU 6 N 0.49 0.00 -0.78 1.25 4.57 -1.92 -0.43 114.58 117.76 2kax h GLU 6 Ca 0.18 0.00 0.17 0.00 -1.18 0.00 0.00 59.36 58.54 2kax h GLU 6 Cb 0.05 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.59 2kax h GLU 6 CO -0.10 0.00 0.53 0.87 -1.18 0.00 0.00 179.01 179.12 2kax h LYS 7 N 0.00 0.31 -0.39 1.92 1.79 -1.27 -0.15 116.57 118.78 2kax h LYS 7 Ca 0.26 -0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.64 2kax h LYS 7 Cb 1.05 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.62 2kax h LYS 7 CO -0.00 0.20 -0.02 0.00 -1.08 0.00 0.00 179.45 178.55 2kax h ALA 8 N 1.64 0.52 0.11 3.86 0.00 -1.21 -0.96 119.26 123.21 2kax h ALA 8 Ca 0.39 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2kax h ALA 8 Cb 1.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2kax h ALA 8 CO -0.11 0.32 -0.05 -0.07 0.00 0.00 0.00 179.25 179.34 2kax h LEU 9 N 0.51 -0.12 -0.79 0.00 -0.00 -1.35 0.81 115.31 114.38 2kax h LEU 9 Ca 0.11 -0.26 0.19 0.00 -0.00 0.00 0.00 57.88 57.91 2kax h LEU 9 Cb 0.50 0.03 -0.12 0.00 -0.00 0.00 0.00 40.66 41.07 2kax h LEU 9 CO 0.02 0.20 0.17 0.74 -0.00 0.00 0.00 178.44 179.58 2kax h THR 10 N -0.46 0.41 -0.24 0.22 2.02 -1.14 -0.13 112.91 113.60 2kax h THR 10 Ca -0.01 -0.08 -0.13 0.00 0.77 0.00 0.00 66.41 66.96 2kax h THR 10 Cb 0.38 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2kax h THR 10 CO 0.02 0.04 -0.34 0.74 0.37 0.00 0.00 175.52 176.35 2kax h THR 11 N 0.22 1.32 -0.86 3.16 2.02 -0.86 -0.51 112.91 117.39 2kax h THR 11 Ca 0.46 -1.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.08 2kax h THR 11 Cb 0.85 1.74 -0.04 0.00 -1.74 0.00 0.00 68.15 68.96 2kax h THR 11 CO -0.59 0.48 0.47 0.24 0.37 0.00 0.00 175.52 176.50 2kax h MET 12 N 0.36 1.20 -0.06 6.66 2.07 -0.32 -0.54 114.93 124.29 2kax h MET 12 Ca 0.02 -0.14 -0.13 0.00 -2.07 0.00 0.00 59.70 57.38 2kax h MET 12 Cb 0.93 -0.23 -0.01 0.00 -1.87 0.00 0.00 31.60 30.41 2kax h MET 12 CO 0.08 0.88 -0.55 -0.39 1.07 0.00 0.00 176.91 178.00 2kax h VAL 13 N 1.20 1.37 0.00 -2.22 -1.51 -0.99 -0.51 116.25 113.59 2kax h VAL 13 Ca 0.30 -1.86 -0.07 0.00 -1.23 0.00 0.00 66.70 63.84 2kax h VAL 13 Cb 0.03 1.94 -0.01 0.00 -2.13 0.00 0.00 31.29 31.11 2kax h VAL 13 CO -0.05 0.55 -0.32 0.74 -1.23 0.00 0.00 177.57 177.26 2kax h THR 14 N 0.15 0.92 0.00 7.19 2.02 -0.53 -0.79 112.91 121.87 2kax h THR 14 Ca -0.00 -1.23 -0.01 0.00 0.77 0.00 0.00 66.41 65.94 2kax h THR 14 Cb 1.01 1.73 -0.00 0.00 -1.74 0.00 0.00 68.15 69.15 2kax h THR 14 CO 0.08 0.31 -0.23 0.71 0.37 0.00 0.00 175.52 176.77 2kax h THR 15 N 0.00 0.21 -0.75 3.16 1.35 -1.10 -3.40 112.91 112.37 2kax h THR 15 Ca -0.00 -1.18 0.05 0.00 -0.55 0.00 0.00 66.41 64.72 2kax h THR 15 Cb 0.70 0.42 -0.04 0.00 -1.73 0.00 0.00 68.15 67.50 2kax h THR 15 CO 0.04 0.07 0.50 0.15 -0.25 0.00 0.00 175.52 176.03 2kax h PHE 16 N -1.00 0.85 -0.83 4.73 3.04 -1.08 -2.37 116.94 120.28 2kax h PHE 16 Ca -0.02 0.02 0.04 0.00 3.98 0.00 0.00 57.97 61.99 2kax h PHE 16 Cb 0.32 -0.28 -0.05 0.00 2.56 0.00 0.00 35.95 38.50 2kax h PHE 16 CO -0.04 0.47 0.55 1.25 -2.02 0.00 0.00 178.31 178.52 2kax h HIS 17 N 0.86 0.98 -0.30 0.41 2.76 -1.37 -2.73 115.15 115.77 2kax h HIS 17 Ca 0.31 0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.59 2kax h HIS 17 Cb 0.14 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 2kax h HIS 17 CO -0.00 0.56 0.29 0.87 -1.30 0.00 0.00 177.93 178.35 2kax h LYS 18 N 1.01 0.00 -0.11 5.26 1.57 -1.63 -1.63 116.57 121.05 2kax h LYS 18 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 2kax h LYS 18 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2kax h LYS 18 CO -0.10 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.44 2kax n TYR 19 N -3.92 0.14 0.03 -1.35 4.01 -1.04 -4.77 117.16 110.26 2kax n TYR 19 Ca 0.04 -0.39 0.00 0.00 -0.16 0.00 0.00 57.90 57.39 2kax n TYR 19 Cb 0.44 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 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 -0.03 0.23 -0.90 7.72 3.41 -0.97 -4.65 113.62 118.43 2kax n SER 20 Ca 0.04 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2kax n SER 20 Cb 0.27 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 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 2.61 1.02 0.00 5.00 0.00 -0.65 -1.42 105.19 111.75 2kax n GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kax n GLY 21 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kax n ARG 22 N 0.63 0.00 -0.00 1.61 -4.01 -1.26 -4.84 116.66 108.79 2kax n ARG 22 Ca 0.00 -0.01 -0.03 0.00 -1.04 0.00 0.00 57.85 56.77 2kax n ARG 22 Cb 0.24 -0.06 -0.01 0.00 -3.04 0.00 0.00 32.46 29.59 2kax n ARG 22 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 2kax n GLU 23 N 0.00 0.08 0.10 2.89 -0.58 -0.51 -5.04 120.64 117.58 2kax n GLU 23 Ca 0.00 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2kax n GLU 23 Cb 0.28 -0.63 0.00 0.00 -0.57 0.00 0.00 31.44 30.52 2kax n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kax n GLY 24 N 2.92 -0.20 3.50 0.62 0.00 -0.98 -5.06 105.19 105.99 2kax n GLY 24 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 -5.34 -0.41 0.00 1.61 0.15 -1.08 -5.00 113.70 103.63 2kax s SER 25 Ca 0.00 0.10 0.04 0.00 0.70 0.00 0.00 55.95 56.78 2kax s SER 25 Cb 0.00 0.41 0.16 0.00 -1.71 0.00 0.00 66.02 64.88 2kax s SER 25 CO 0.00 -0.63 1.10 0.29 1.20 0.00 0.00 173.24 175.20 2kax n LYS 26 N -0.06 0.00 0.00 5.44 5.02 -1.26 -1.55 118.16 125.76 2kax n LYS 26 Ca -0.11 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 2kax n LYS 26 Cb 0.61 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 2kax n LYS 26 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kax n LEU 27 N -1.48 1.14 -4.02 -0.35 4.77 -1.26 -4.35 117.00 111.44 2kax n LEU 27 Ca 0.01 -1.14 -0.10 0.00 -0.03 0.00 0.00 56.01 54.75 2kax n LEU 27 Cb 0.04 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.02 2kax n LEU 27 CO 0.03 0.28 -0.38 0.42 -1.33 0.00 0.00 177.39 176.42 2kax s THR 28 N -0.56 0.29 0.13 -5.08 -4.23 -0.59 -3.78 115.64 101.82 2kax s THR 28 Ca 0.00 -1.07 -0.15 0.00 -1.18 0.00 0.00 61.69 59.29 2kax s THR 28 Cb 0.00 -0.52 0.03 0.00 1.34 0.00 0.00 72.50 73.34 2kax s THR 28 CO 0.00 -0.51 0.38 -1.48 -0.54 0.00 0.00 174.62 172.46 2kax s LEU 29 N -1.67 0.56 0.59 4.79 2.34 -1.19 -2.92 118.68 121.18 2kax s LEU 29 Ca -0.11 -0.43 -0.13 0.00 0.06 0.00 0.00 54.13 53.51 2kax s LEU 29 Cb -0.08 1.71 -0.05 0.00 -0.56 0.00 0.00 46.19 47.21 2kax s LEU 29 CO -0.01 -0.86 1.02 -0.94 -1.06 0.00 0.00 176.35 174.49 2kax s SER 30 N -2.84 6.20 0.13 1.48 1.04 -1.26 -1.67 113.70 116.78 2kax s SER 30 Ca 0.05 1.55 -0.20 0.00 0.48 0.00 0.00 55.95 57.83 2kax s SER 30 Cb 0.02 -2.49 -0.02 0.00 0.10 0.00 0.00 66.02 63.63 2kax s SER 30 CO -0.10 -0.89 1.70 -0.09 0.98 0.00 0.00 173.24 174.85 2kax h ARG 31 N 0.15 0.01 -0.74 4.02 9.65 -0.88 -2.15 114.38 124.44 2kax h ARG 31 Ca -0.45 -0.00 0.19 0.00 -1.10 0.00 0.00 59.98 58.61 2kax h ARG 31 Cb 1.19 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.73 2kax h ARG 31 CO 0.61 0.01 0.51 0.87 2.80 0.00 0.00 179.97 184.76 2kax h LYS 32 N 0.01 0.16 0.12 0.20 1.79 -1.86 -1.38 116.57 115.61 2kax h LYS 32 Ca 0.10 -0.01 -0.26 0.00 -2.18 0.00 0.00 60.65 58.30 2kax h LYS 32 Cb 0.15 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2kax h LYS 32 CO -0.21 0.10 -1.32 0.93 -1.08 0.00 0.00 179.45 177.87 2kax h GLU 33 N 0.16 0.26 -1.00 3.15 3.07 -1.80 -3.10 114.58 115.32 2kax h GLU 33 Ca 0.36 -0.45 0.16 0.00 -0.50 0.00 0.00 59.36 58.93 2kax h GLU 33 Cb 1.18 0.17 -0.10 0.00 -0.84 0.00 0.00 28.75 29.16 2kax h GLU 33 CO -0.06 1.21 0.61 1.25 -1.40 0.00 0.00 179.01 180.63 2kax h LEU 34 N -0.30 0.84 -2.19 1.33 5.85 -1.26 1.00 115.31 120.57 2kax h LEU 34 Ca -0.28 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.52 2kax h LEU 34 Cb 1.75 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.70 2kax h LEU 34 CO 0.08 0.37 0.02 0.50 -0.34 0.00 0.00 178.44 179.07 2kax h LYS 35 N 0.87 0.00 0.00 1.25 3.11 -1.27 -2.99 116.57 117.53 2kax h LYS 35 Ca 0.54 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 58.34 2kax h LYS 35 Cb 0.70 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.92 2kax h LYS 35 CO -0.33 0.00 -0.24 1.49 -2.81 0.00 0.00 179.45 177.57 2kax h GLU 36 N 0.00 0.00 -0.71 1.90 4.57 -0.77 -3.37 114.58 116.20 2kax h GLU 36 Ca 0.01 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.33 2kax h GLU 36 Cb 0.05 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 28.50 2kax h GLU 36 CO -0.00 0.69 -0.23 1.25 -1.18 0.00 0.00 179.01 179.54 2kax h LEU 37 N -1.00 -0.83 0.00 1.64 5.85 -1.21 0.13 115.31 119.88 2kax h LEU 37 Ca -0.06 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2kax h LEU 37 Cb 0.77 0.50 0.00 0.00 0.37 0.00 0.00 40.66 42.30 2kax h LEU 37 CO -0.03 -0.26 0.00 -0.38 -0.34 0.00 0.00 178.44 177.43 2kax n ILE 38 N -5.48 0.21 0.05 4.05 5.41 -1.14 -1.49 119.36 120.97 2kax n ILE 38 Ca 0.09 0.05 0.06 0.00 1.00 0.00 0.00 62.75 63.95 2kax n ILE 38 Cb 0.37 -0.74 -0.09 0.00 -0.71 0.00 0.00 39.64 38.47 2kax n ILE 38 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2kax n LYS 39 N -1.14 0.61 0.00 0.38 4.01 0.28 -4.35 118.16 117.95 2kax n LYS 39 Ca 0.12 -0.10 0.00 0.00 -0.51 0.00 0.00 58.31 57.82 2kax n LYS 39 Cb 0.11 -1.27 0.00 0.00 -0.51 0.00 0.00 35.03 33.36 2kax n LYS 39 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2kax n LYS 40 N -1.87 0.00 0.00 1.97 4.76 -0.23 -3.88 118.16 118.92 2kax n LYS 40 Ca -0.02 0.44 0.14 0.00 -2.87 0.00 0.00 58.31 56.01 2kax n LYS 40 Cb 0.31 -0.94 0.67 0.00 -1.84 0.00 0.00 35.03 33.23 2kax n LYS 40 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2kax n GLU 41 N -2.03 0.18 -3.86 1.97 1.02 -0.56 -3.84 120.64 113.52 2kax n GLU 41 Ca 0.00 0.01 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 2kax n GLU 41 Cb 0.00 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 29.76 2kax n GLU 41 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2kax s LEU 42 N -2.82 2.16 -0.68 -4.62 0.20 -1.24 -5.06 118.68 106.62 2kax s LEU 42 Ca 0.20 -1.13 -0.26 0.00 0.69 0.00 0.00 54.13 53.63 2kax s LEU 42 Cb 0.19 -0.98 -0.03 0.00 -0.43 0.00 0.00 46.19 44.94 2kax s LEU 42 CO 0.49 -0.28 1.92 0.00 -0.29 0.00 0.00 176.35 178.20 2kax n LEU 44 N 13.35 0.61 0.00 0.00 4.77 -1.26 -4.31 117.00 130.16 2kax n LEU 44 Ca 0.27 -0.03 0.07 0.00 -0.03 0.00 0.00 56.01 56.29 2kax n LEU 44 Cb 0.51 -0.18 0.34 0.00 -2.33 0.00 0.00 43.42 41.75 2kax n LEU 44 CO 0.68 0.09 0.73 0.61 -1.33 0.00 0.00 177.39 178.18 2kax n GLY 45 N 1.45 -0.97 1.29 -0.72 0.00 -1.26 -0.55 105.19 104.43 2kax n GLY 45 Ca 0.04 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.45 2.72 0.00 1.61 0.28 -1.26 -4.68 120.64 117.85 2kax n GLU 46 Ca 0.04 -2.60 0.00 0.00 -0.16 0.00 0.00 57.16 54.45 2kax n GLU 46 Cb 0.16 -1.55 0.00 0.00 1.43 0.00 0.00 31.44 31.49 2kax n GLU 46 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2kax n MET 47 N 1.57 0.00 -4.19 3.44 2.81 -0.72 -5.16 117.12 114.87 2kax n MET 47 Ca 0.23 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.97 2kax n MET 47 Cb 0.61 -0.44 -0.08 0.00 -0.71 0.00 0.00 33.22 32.60 2kax n MET 47 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2kax s LYS 48 N -1.00 1.57 0.00 0.03 -0.14 0.28 -5.13 119.74 115.35 2kax s LYS 48 Ca 0.00 -1.77 0.00 0.00 -1.36 0.00 0.00 55.97 52.84 2kax s LYS 48 Cb 0.00 0.34 0.00 0.00 -1.68 0.00 0.00 37.83 36.49 2kax s LYS 48 CO 0.00 -0.58 0.00 -0.85 -0.76 0.00 0.00 175.35 173.16 2kax n GLU 49 N -0.46 0.00 -0.33 1.68 -0.00 -1.26 -4.35 120.64 115.91 2kax n GLU 49 Ca 0.04 0.00 0.23 0.00 -0.00 0.00 0.00 57.16 57.43 2kax n GLU 49 Cb 0.63 0.00 0.44 0.00 -0.00 0.00 0.00 31.44 32.52 2kax n GLU 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2kax h SER 50 N 0.00 -0.09 -0.04 -1.84 4.64 -2.01 0.06 113.55 114.27 2kax h SER 50 Ca 0.00 0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2kax h SER 50 Cb 0.00 0.38 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2kax h SER 50 CO 0.00 -0.40 0.00 -1.20 -0.87 0.00 0.00 176.83 174.36 2kax n SER 51 N -5.38 0.79 0.00 4.97 7.64 -1.26 -1.29 113.62 119.09 2kax n SER 51 Ca 0.31 -2.03 0.00 0.00 1.01 0.00 0.00 58.87 58.16 2kax n SER 51 Cb 1.03 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 2kax n SER 51 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2kax n ILE 52 N -0.16 0.00 0.24 0.44 -6.64 -0.26 -4.88 119.36 108.10 2kax n ILE 52 Ca 0.02 0.00 0.13 0.00 -1.77 0.00 0.00 62.75 61.13 2kax n ILE 52 Cb 0.18 0.24 0.46 0.00 -1.44 0.00 0.00 39.64 39.08 2kax n ILE 52 CO 0.00 0.00 0.00 -0.78 -1.77 0.00 0.00 176.55 174.00 2kax h ASP 53 N 0.00 0.00 -0.04 7.28 3.58 -0.39 -2.19 116.42 124.67 2kax h ASP 53 Ca 0.00 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.48 2kax h ASP 53 Cb 0.03 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.02 2kax h ASP 53 CO 0.00 0.10 -0.51 -0.78 -2.88 0.00 0.00 179.24 175.16 2kax h ASP 54 N 0.00 -1.59 -0.67 2.28 3.58 -1.46 -1.54 116.42 117.01 2kax h ASP 54 Ca -0.00 0.18 0.05 0.00 0.42 0.00 0.00 57.03 57.68 2kax h ASP 54 Cb 0.75 0.61 -0.05 0.00 1.72 0.00 0.00 39.33 42.36 2kax h ASP 54 CO 0.01 -0.50 0.39 -0.07 -2.88 0.00 0.00 179.24 176.19 2kax h LEU 55 N -0.63 0.61 -0.28 2.28 3.38 -1.74 0.23 115.31 119.15 2kax h LEU 55 Ca 0.03 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.06 2kax h LEU 55 Cb 0.70 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 2kax h LEU 55 CO -0.37 0.40 -0.00 0.24 0.09 0.00 0.00 178.44 178.80 2kax h MET 56 N 0.74 0.08 0.00 1.13 2.86 -1.22 -0.39 114.93 118.13 2kax h MET 56 Ca 0.29 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 2kax h MET 56 Cb 0.12 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2kax h MET 56 CO -0.15 0.05 0.00 0.87 1.06 0.00 0.00 176.91 178.74 2kax h LYS 57 N 0.08 0.00 -0.18 1.72 6.56 -0.86 0.07 116.57 123.96 2kax h LYS 57 Ca 0.14 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.61 2kax h LYS 57 Cb 0.18 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.83 2kax h LYS 57 CO -0.23 0.00 -0.39 1.03 -2.06 0.00 0.00 179.45 177.80 2kax h SER 58 N 0.00 0.42 0.16 0.86 0.87 0.11 -0.84 113.55 115.13 2kax h SER 58 Ca 0.00 -0.18 -0.31 0.00 -1.23 0.00 0.00 61.79 60.07 2kax h SER 58 Cb 0.61 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.45 2kax h SER 58 CO 0.00 0.78 -1.56 -0.07 -0.53 0.00 0.00 176.83 175.45 2kax h LEU 59 N 0.34 0.52 0.00 2.23 3.38 -1.32 -3.37 115.31 117.09 2kax h LEU 59 Ca 0.03 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.10 2kax h LEU 59 Cb 0.84 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2kax h LEU 59 CO 0.07 1.70 0.00 -0.67 0.09 0.00 0.00 178.44 179.63 2kax n ASP 60 N -3.76 0.00 -0.17 -0.43 2.03 0.00 -3.97 116.55 110.25 2kax n ASP 60 Ca -0.24 -0.34 0.04 0.00 0.52 0.00 0.00 54.79 54.78 2kax n ASP 60 Cb 0.99 -0.12 0.09 0.00 -0.72 0.00 0.00 41.12 41.37 2kax n ASP 60 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2kax n LYS 61 N -1.12 -0.04 -0.13 -0.67 3.00 -0.33 -1.99 118.16 116.89 2kax n LYS 61 Ca 0.12 0.72 -0.25 0.00 -0.00 0.00 0.00 58.31 58.90 2kax n LYS 61 Cb 0.10 -1.10 -0.11 0.00 0.00 0.00 0.00 35.03 33.91 2kax n LYS 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2kax n ASN 62 N -4.67 1.97 0.00 3.14 3.02 -1.25 -5.06 115.26 112.40 2kax n ASN 62 Ca 0.09 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 2kax n ASN 62 Cb 0.28 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 2kax n ASN 62 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2kax n SER 63 N -3.88 0.00 -2.97 6.41 3.41 -0.84 -4.90 113.62 110.84 2kax n SER 63 Ca -0.50 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 57.95 2kax n SER 63 Cb 0.92 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.87 2kax n SER 63 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2kax n ASP 64 N 0.00 -1.19 -3.80 4.04 2.03 -1.26 -3.83 116.55 112.54 2kax n ASP 64 Ca 0.00 -3.07 -0.09 0.00 0.52 0.00 0.00 54.79 52.15 2kax n ASP 64 Cb 0.00 0.58 -0.06 0.00 -0.72 0.00 0.00 41.12 40.91 2kax n ASP 64 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kax s GLN 65 N -0.45 0.91 0.72 -0.67 -2.07 -1.26 -4.99 119.66 111.85 2kax s GLN 65 Ca 0.33 -0.89 -0.11 0.00 -1.82 0.00 0.00 55.36 52.87 2kax s GLN 65 Cb 0.23 0.38 0.02 0.00 -1.09 0.00 0.00 33.01 32.55 2kax s GLN 65 CO -0.15 -0.31 1.07 -1.21 -1.32 0.00 0.00 175.29 173.36 2kax s GLU 66 N -3.85 2.76 0.23 9.60 8.01 -1.26 -0.27 118.70 133.91 2kax s GLU 66 Ca 0.05 0.84 0.07 0.00 0.01 0.00 0.00 54.97 55.93 2kax s GLU 66 Cb 0.04 -1.98 -0.05 0.00 -4.31 0.00 0.00 34.13 27.83 2kax s GLU 66 CO -0.11 -1.19 -0.10 0.96 0.01 0.00 0.00 175.26 174.82 2kax s ILE 67 N -3.10 1.60 0.47 -1.63 -4.36 -0.67 -4.85 121.20 108.66 2kax s ILE 67 Ca 0.59 -2.16 0.08 0.00 -0.26 0.00 0.00 60.65 58.90 2kax s ILE 67 Cb -0.14 -2.19 0.03 0.00 1.25 0.00 0.00 42.46 41.42 2kax s ILE 67 CO 0.55 -0.49 0.62 1.51 0.24 0.00 0.00 174.94 177.37 2kax s ASP 68 N -3.34 5.41 0.55 4.36 1.47 -1.26 -3.20 116.67 120.65 2kax s ASP 68 Ca 0.25 -0.60 0.26 0.00 1.18 0.00 0.00 52.55 53.64 2kax s ASP 68 Cb 0.02 -0.32 1.43 0.00 -0.34 0.00 0.00 42.92 43.70 2kax s ASP 68 CO 0.08 -0.94 1.78 0.15 0.68 0.00 0.00 175.17 176.92 2kax h PHE 69 N 0.53 0.00 -0.30 2.11 3.57 -2.01 -2.25 116.94 118.60 2kax h PHE 69 Ca -0.37 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.06 2kax h PHE 69 Cb 1.28 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.01 2kax h PHE 69 CO 0.44 0.00 -0.10 -0.22 -2.23 0.00 0.00 178.31 176.19 2kax h LYS 70 N 0.00 0.60 0.00 1.11 3.64 -1.95 -2.69 116.57 117.27 2kax h LYS 70 Ca 0.00 -0.24 -0.12 0.00 -1.27 0.00 0.00 60.65 59.02 2kax h LYS 70 Cb 0.52 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 2kax h LYS 70 CO 0.00 0.81 -0.56 0.93 -2.27 0.00 0.00 179.45 178.35 2kax h GLU 71 N 0.35 0.00 0.07 1.90 4.39 -1.81 -0.58 114.58 118.90 2kax h GLU 71 Ca 0.07 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 2kax h GLU 71 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2kax h GLU 71 CO 0.04 0.56 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.50 2kax h TYR 72 N 0.00 -0.09 -0.17 4.33 3.20 -1.62 -2.63 116.97 119.99 2kax h TYR 72 Ca -0.01 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 2kax h TYR 72 Cb 1.08 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 2kax h TYR 72 CO 0.00 0.32 -0.42 0.66 -1.64 0.00 0.00 178.16 177.07 2kax h SER 73 N -0.52 0.42 -0.53 -2.11 4.64 -1.22 -1.65 113.55 112.58 2kax h SER 73 Ca -0.01 -0.19 -0.12 0.00 -0.47 0.00 0.00 61.79 61.01 2kax h SER 73 Cb 0.44 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 2kax h SER 73 CO 0.02 0.80 -0.13 -0.37 -0.87 0.00 0.00 176.83 176.27 2kax h VAL 74 N 0.33 1.27 -0.60 0.95 -1.51 -1.23 -2.33 116.25 113.12 2kax h VAL 74 Ca 0.03 -1.29 -0.00 0.00 -1.23 0.00 0.00 66.70 64.20 2kax h VAL 74 Cb 0.88 1.00 -0.03 0.00 -2.13 0.00 0.00 31.29 31.01 2kax h VAL 74 CO 0.07 0.45 0.36 0.15 -1.23 0.00 0.00 177.57 177.38 2kax h PHE 75 N 0.90 0.79 -0.69 5.19 3.04 -1.06 -0.23 116.94 124.89 2kax h PHE 75 Ca 0.14 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.03 2kax h PHE 75 Cb 0.70 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.92 2kax h PHE 75 CO 0.05 0.54 0.21 -0.07 -2.02 0.00 0.00 178.31 177.02 2kax h LEU 76 N 0.81 1.01 0.11 0.59 -0.00 -1.35 -1.13 115.31 115.35 2kax h LEU 76 Ca 0.22 -0.21 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2kax h LEU 76 Cb -0.02 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.38 2kax h LEU 76 CO -0.04 0.95 -0.05 0.74 -0.00 0.00 0.00 178.44 180.04 2kax h THR 77 N 1.01 0.89 -0.17 0.22 2.02 -1.05 -1.86 112.91 113.98 2kax h THR 77 Ca 0.22 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.35 2kax h THR 77 Cb 0.30 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2kax h THR 77 CO -0.01 0.00 -0.12 0.24 0.37 0.00 0.00 175.52 176.00 2kax h MET 78 N -0.15 0.27 0.43 6.66 2.86 -0.95 -2.17 114.93 121.87 2kax h MET 78 Ca -0.01 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2kax h MET 78 Cb 0.11 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2kax h MET 78 CO 0.02 0.40 -0.21 1.25 1.06 0.00 0.00 176.91 179.43 2kax h LEU 79 N 0.25 -0.51 -0.45 1.22 7.12 -1.05 -1.82 115.31 120.06 2kax h LEU 79 Ca 0.05 0.02 0.07 0.00 0.13 0.00 0.00 57.88 58.16 2kax h LEU 79 Cb 0.38 0.14 -0.06 0.00 -0.53 0.00 0.00 40.66 40.58 2kax h LEU 79 CO 0.02 -0.36 0.10 0.00 -0.13 0.00 0.00 178.44 178.07 2kax n MET 81 N -5.10 0.12 -0.05 0.00 2.81 -0.86 -0.73 117.12 113.31 2kax n MET 81 Ca 0.04 0.10 0.11 0.00 -1.81 0.00 0.00 57.70 56.15 2kax n MET 81 Cb 0.21 -1.50 0.46 0.00 -0.71 0.00 0.00 33.22 31.68 2kax n MET 81 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kax n ALA 82 N -1.42 2.55 -0.41 3.04 0.00 -0.50 -4.61 120.51 119.17 2kax n ALA 82 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2kax n ALA 82 Cb 0.23 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 0.04 0.00 -1.41 0.00 0.18 -0.96 -5.01 117.16 110.00 2kax n TYR 83 Ca 0.17 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.55 2kax n TYR 83 Cb 0.28 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.21 2kax n TYR 83 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 2kax n ASN 84 N 0.00 7.59 0.00 9.48 2.85 0.09 -4.71 115.26 130.56 2kax n ASN 84 Ca 0.00 -2.64 0.09 0.00 -0.11 0.00 0.00 54.58 51.92 2kax n ASN 84 Cb 0.00 -1.58 0.48 0.00 1.24 0.00 0.00 39.78 39.92 2kax n ASN 84 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2kax n ASP 85 N 4.19 0.00 0.06 1.20 2.03 -1.26 -3.08 116.55 119.69 2kax n ASP 85 Ca 0.72 -0.30 0.07 0.00 0.52 0.00 0.00 54.79 55.80 2kax n ASP 85 Cb 0.27 -0.12 0.32 0.00 -0.72 0.00 0.00 41.12 40.86 2kax n ASP 85 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2kax n PHE 86 N -1.12 0.33 -0.12 -0.67 3.72 -1.26 -0.72 117.46 117.61 2kax n PHE 86 Ca 0.11 0.15 0.10 0.00 -0.05 0.00 0.00 57.45 57.76 2kax n PHE 86 Cb 0.09 -0.74 0.25 0.00 -0.94 0.00 0.00 39.48 38.14 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 -1.82 0.70 0.00 1.38 3.72 -1.18 -4.89 117.46 115.38 2kax n PHE 87 Ca 0.01 -0.41 0.00 0.00 -0.05 0.00 0.00 57.45 57.00 2kax n PHE 87 Cb 0.10 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 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 1.32 0.00 0.00 4.37 7.99 0.10 -5.10 117.00 125.68 2kax n LEU 88 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.20 2kax n LEU 88 Cb 0.56 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.87 2kax n LEU 88 CO 0.14 0.00 0.00 -0.62 -1.51 0.00 0.00 177.39 175.40 2kax n GLU 89 N 0.00 0.81 -3.10 3.23 4.71 -1.20 -5.02 120.64 120.07 2kax n GLU 89 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.02 2kax n GLU 89 Cb 0.00 -0.07 0.04 0.00 -1.01 0.00 0.00 31.44 30.41 2kax n GLU 89 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2kax n ASP 90 N 0.00 -4.36 -2.14 1.62 2.03 -1.25 -4.96 116.55 107.48 2kax n ASP 90 Ca 0.00 -0.30 -0.01 0.00 0.52 0.00 0.00 54.79 54.99 2kax n ASP 90 Cb 0.00 -3.04 0.07 0.00 -0.72 0.00 0.00 41.12 37.43 2kax n ASP 90 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2kax n ASN 91 N -1.07 -0.80 0.00 1.67 2.85 -1.26 -5.19 115.26 111.46 2kax n ASN 91 Ca -0.00 -1.65 0.10 0.00 -0.11 0.00 0.00 54.58 52.92 2kax n ASN 91 Cb 0.54 0.40 0.61 0.00 1.24 0.00 0.00 39.78 42.57 2kax n ASN 91 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44