#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kax n GLU 2 N 0.00 0.00 -4.29 0.03 2.13 -1.26 -5.17 120.64 112.08 2kax n GLU 2 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 2kax n GLU 2 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 2kax n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2kax s THR 3 N -1.40 0.67 -0.81 6.31 -4.23 -1.26 -5.07 115.64 109.84 2kax s THR 3 Ca 0.00 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.70 2kax s THR 3 Cb 0.00 -2.40 0.17 0.00 1.34 0.00 0.00 72.50 71.61 2kax s THR 3 CO 0.00 -0.23 1.57 -0.81 -0.54 0.00 0.00 174.62 174.61 2kax n PRO 4 N -0.37 0.07 0.21 3.99 -0.04 -1.26 -1.99 135.00 135.61 2kax n PRO 4 Ca -0.03 0.31 0.09 0.00 -0.04 0.00 0.00 63.50 63.82 2kax n PRO 4 Cb 0.65 -1.64 0.37 0.00 -0.04 0.00 0.00 33.50 32.84 2kax n PRO 4 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2kax h LEU 5 N 0.00 0.00 -1.62 1.53 6.46 -2.01 -2.74 115.31 116.93 2kax h LEU 5 Ca 0.00 0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.81 2kax h LEU 5 Cb 0.30 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.20 2kax h LEU 5 CO 0.00 0.26 0.34 -0.08 -0.62 0.00 0.00 178.44 178.34 2kax h GLU 6 N 0.00 0.47 0.00 1.25 4.57 -1.83 0.57 114.58 119.61 2kax h GLU 6 Ca -0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2kax h GLU 6 Cb 0.86 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 2kax h GLU 6 CO 0.03 0.31 0.00 0.87 -1.18 0.00 0.00 179.01 179.04 2kax h LYS 7 N 0.48 0.00 0.04 1.92 1.79 -1.64 0.21 116.57 119.37 2kax h LYS 7 Ca 0.21 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.68 2kax h LYS 7 Cb 0.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 2kax h LYS 7 CO -0.06 0.00 -0.02 0.00 -1.08 0.00 0.00 179.45 178.29 2kax h ALA 8 N 2.01 -0.05 -0.02 3.86 0.00 -1.01 -3.22 119.26 120.83 2kax h ALA 8 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2kax h ALA 8 Cb 0.13 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2kax h ALA 8 CO 0.00 -0.16 -0.01 -0.07 0.00 0.00 0.00 179.25 179.00 2kax h LEU 9 N -0.79 0.05 -0.94 0.00 -0.00 -0.85 -0.38 115.31 112.40 2kax h LEU 9 Ca -0.01 -0.44 0.19 0.00 -0.00 0.00 0.00 57.88 57.62 2kax h LEU 9 Cb 0.67 -0.01 -0.18 0.00 -0.00 0.00 0.00 40.66 41.14 2kax h LEU 9 CO 0.01 0.48 -0.22 0.74 -0.00 0.00 0.00 178.44 179.45 2kax h THR 10 N -0.38 0.06 -0.12 0.22 2.02 -0.88 0.19 112.91 114.01 2kax h THR 10 Ca 0.00 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2kax h THR 10 Cb 0.46 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2kax h THR 10 CO 0.00 0.00 -0.01 0.74 0.37 0.00 0.00 175.52 176.62 2kax h THR 11 N 0.00 1.27 -1.00 3.16 2.02 -1.50 0.37 112.91 117.23 2kax h THR 11 Ca 0.46 -0.88 0.06 0.00 0.77 0.00 0.00 66.41 66.83 2kax h THR 11 Cb 0.71 1.61 -0.07 0.00 -1.74 0.00 0.00 68.15 68.67 2kax h THR 11 CO -0.96 0.25 0.65 0.24 0.37 0.00 0.00 175.52 176.07 2kax h MET 12 N -0.07 1.14 0.01 6.66 2.07 -0.13 -0.66 114.93 123.95 2kax h MET 12 Ca 0.03 -0.07 -0.21 0.00 -2.07 0.00 0.00 59.70 57.39 2kax h MET 12 Cb 0.39 -0.26 -0.01 0.00 -1.87 0.00 0.00 31.60 29.86 2kax h MET 12 CO 0.01 0.76 -0.91 -0.39 1.07 0.00 0.00 176.91 177.45 2kax h VAL 13 N 1.18 1.47 -0.29 -2.22 -1.51 -0.54 -1.29 116.25 113.05 2kax h VAL 13 Ca 0.43 -2.59 -0.14 0.00 -1.23 0.00 0.00 66.70 63.18 2kax h VAL 13 Cb 0.16 2.47 -0.01 0.00 -2.13 0.00 0.00 31.29 31.78 2kax h VAL 13 CO -0.17 0.76 -0.38 0.74 -1.23 0.00 0.00 177.57 177.28 2kax h THR 14 N 0.14 1.29 -0.00 7.19 2.02 -0.53 0.30 112.91 123.32 2kax h THR 14 Ca -0.06 -1.55 -0.01 0.00 0.77 0.00 0.00 66.41 65.57 2kax h THR 14 Cb 1.54 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 2kax h THR 14 CO 0.14 0.50 -0.05 0.71 0.37 0.00 0.00 175.52 177.20 2kax h THR 15 N 0.55 1.59 0.07 3.16 1.35 -1.20 -3.16 112.91 115.27 2kax h THR 15 Ca 0.05 -1.79 -0.00 0.00 -0.55 0.00 0.00 66.41 64.12 2kax h THR 15 Cb 0.91 2.78 0.00 0.00 -1.73 0.00 0.00 68.15 70.11 2kax h THR 15 CO 0.08 0.47 -0.04 0.15 -0.25 0.00 0.00 175.52 175.93 2kax h PHE 16 N -0.69 -0.09 0.00 4.73 3.57 -1.22 -2.15 116.94 121.08 2kax h PHE 16 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2kax h PHE 16 Cb 0.79 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.56 2kax h PHE 16 CO 0.19 0.00 0.00 1.25 -2.23 0.00 0.00 178.31 177.52 2kax h HIS 17 N -0.16 0.00 0.00 0.41 2.76 -1.10 0.21 115.15 117.27 2kax h HIS 17 Ca -0.01 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 2kax h HIS 17 Cb 0.14 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.09 2kax h HIS 17 CO -0.05 0.00 -0.14 -0.22 -1.30 0.00 0.00 177.93 176.22 2kax h LYS 18 N 0.00 0.00 0.00 5.26 3.64 -1.34 0.26 116.57 124.39 2kax h LYS 18 Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2kax h LYS 18 Cb 0.14 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2kax h LYS 18 CO 0.00 0.14 -1.39 0.66 -2.27 0.00 0.00 179.45 176.59 2kax n TYR 19 N -3.45 0.00 0.04 1.91 4.02 -0.48 -4.70 117.16 114.51 2kax n TYR 19 Ca -0.01 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.92 2kax n TYR 19 Cb 0.31 -0.24 -0.07 0.00 -0.02 0.00 0.00 39.34 39.32 2kax n TYR 19 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2kax n SER 20 N -1.97 0.75 -1.39 7.72 2.88 0.63 -4.27 113.62 117.96 2kax n SER 20 Ca -0.06 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2kax n SER 20 Cb 0.43 0.43 0.00 0.00 -0.75 0.00 0.00 64.21 64.32 2kax n SER 20 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kax n GLY 21 N 1.34 1.84 0.13 0.46 0.00 0.08 -4.19 105.19 104.85 2kax n GLY 21 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 2kax n GLY 21 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kax n ARG 22 N 1.26 0.61 0.00 1.61 3.00 -1.26 -5.01 116.66 116.86 2kax n ARG 22 Ca 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 57.85 58.17 2kax n ARG 22 Cb 0.38 -1.58 0.00 0.00 0.00 0.00 0.00 32.46 31.26 2kax n ARG 22 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2kax n GLU 23 N -4.07 -1.78 0.00 -0.14 -0.58 -1.26 -5.09 120.64 107.72 2kax n GLU 23 Ca -0.46 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.28 2kax n GLU 23 Cb 0.87 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.74 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 -1.02 1.96 3.64 0.62 0.00 -1.26 -4.72 105.19 104.41 2kax n GLY 24 Ca 0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 2kax n GLY 24 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kax s SER 25 N 0.00 -0.76 0.00 1.61 0.01 -1.26 -5.06 113.70 108.24 2kax s SER 25 Ca 0.00 1.32 0.00 0.00 1.31 0.00 0.00 55.95 58.58 2kax s SER 25 Cb 0.00 1.33 0.00 0.00 0.21 0.00 0.00 66.02 67.56 2kax s SER 25 CO 0.00 -0.22 0.45 0.29 0.41 0.00 0.00 173.24 174.17 2kax n LYS 26 N 3.35 0.82 -0.07 12.44 5.02 -1.26 -1.46 118.16 137.00 2kax n LYS 26 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 2kax n LYS 26 Cb 0.57 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 2kax n LYS 26 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2kax n LEU 27 N 0.03 0.00 -4.69 -0.35 -0.00 -1.26 -4.73 117.00 106.00 2kax n LEU 27 Ca 0.00 -0.46 -0.28 0.00 -0.00 0.00 0.00 56.01 55.27 2kax n LEU 27 Cb 0.19 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.52 2kax n LEU 27 CO 0.00 0.44 -0.24 0.42 -0.00 0.00 0.00 177.39 178.01 2kax s THR 28 N 0.00 1.86 0.21 1.47 -4.23 -0.54 -3.83 115.64 110.58 2kax s THR 28 Ca 0.00 -1.92 -0.23 0.00 -1.18 0.00 0.00 61.69 58.36 2kax s THR 28 Cb 0.00 -2.77 0.04 0.00 1.34 0.00 0.00 72.50 71.11 2kax s THR 28 CO 0.00 0.00 0.83 -1.48 -0.54 0.00 0.00 174.62 173.43 2kax s LEU 29 N -3.81 -0.23 0.66 4.79 2.34 -0.99 -4.40 118.68 117.04 2kax s LEU 29 Ca 0.30 -0.49 -0.11 0.00 0.06 0.00 0.00 54.13 53.89 2kax s LEU 29 Cb 0.06 2.45 -0.01 0.00 -0.56 0.00 0.00 46.19 48.13 2kax s LEU 29 CO 0.16 -1.12 1.05 -0.94 -1.06 0.00 0.00 176.35 174.43 2kax s SER 30 N -2.92 5.80 0.55 1.48 1.04 -1.26 -1.10 113.70 117.28 2kax s SER 30 Ca 0.11 1.48 0.28 0.00 0.48 0.00 0.00 55.95 58.30 2kax s SER 30 Cb -0.04 -2.44 1.46 0.00 0.10 0.00 0.00 66.02 65.10 2kax s SER 30 CO 0.04 -1.16 1.94 -0.09 0.98 0.00 0.00 173.24 174.95 2kax h ARG 31 N -0.52 0.00 0.61 4.02 9.65 -1.01 -2.47 114.38 124.66 2kax h ARG 31 Ca -0.44 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.41 2kax h ARG 31 Cb 1.20 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.79 2kax h ARG 31 CO 0.60 0.00 -0.29 0.87 2.80 0.00 0.00 179.97 183.95 2kax h LYS 32 N 0.00 -0.79 -0.68 0.20 1.57 -1.86 -3.01 116.57 112.01 2kax h LYS 32 Ca 0.30 0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2kax h LYS 32 Cb 1.28 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.73 2kax h LYS 32 CO -0.00 -0.49 0.42 0.93 -0.57 0.00 0.00 179.45 179.74 2kax h GLU 33 N -0.94 0.90 -0.06 3.15 3.07 -1.81 0.44 114.58 119.34 2kax h GLU 33 Ca -0.08 -0.07 0.04 0.00 -0.50 0.00 0.00 59.36 58.74 2kax h GLU 33 Cb 0.67 -0.20 -0.05 0.00 -0.84 0.00 0.00 28.75 28.33 2kax h GLU 33 CO 0.14 0.62 -0.21 1.25 -1.40 0.00 0.00 179.01 179.41 2kax h LEU 34 N 0.92 -0.63 -1.22 1.33 5.85 -1.59 0.75 115.31 120.73 2kax h LEU 34 Ca 0.24 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.98 2kax h LEU 34 Cb -0.06 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2kax h LEU 34 CO -0.05 -0.27 -0.39 0.50 -0.34 0.00 0.00 178.44 177.90 2kax h LYS 35 N -0.30 0.00 -0.01 1.25 3.11 -1.20 -3.14 116.57 116.27 2kax h LYS 35 Ca 0.08 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.89 2kax h LYS 35 Cb 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.64 2kax h LYS 35 CO -0.23 0.39 -0.10 1.49 -2.81 0.00 0.00 179.45 178.18 2kax h GLU 36 N 0.00 0.10 -0.71 1.90 4.57 -0.50 -3.14 114.58 116.80 2kax h GLU 36 Ca -0.00 -0.08 0.13 0.00 -1.18 0.00 0.00 59.36 58.23 2kax h GLU 36 Cb 0.69 0.02 -0.13 0.00 -0.16 0.00 0.00 28.75 29.17 2kax h GLU 36 CO 0.05 0.77 -0.27 1.25 -1.18 0.00 0.00 179.01 179.63 2kax h LEU 37 N -0.55 -0.96 -0.61 1.64 5.85 -0.87 0.15 115.31 119.95 2kax h LEU 37 Ca -0.01 0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.96 2kax h LEU 37 Cb 0.79 0.54 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 2kax h LEU 37 CO 0.02 -0.28 0.40 0.40 -0.34 0.00 0.00 178.44 178.64 2kax h ILE 38 N -0.07 1.13 0.00 4.05 2.04 -1.61 -0.26 117.51 122.79 2kax h ILE 38 Ca 0.31 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2kax h ILE 38 Cb 0.56 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2kax h ILE 38 CO -0.76 0.15 0.00 0.29 0.00 0.00 0.00 178.15 177.83 2kax n LYS 39 N -4.68 0.32 -0.02 2.37 4.01 -0.45 -0.47 118.16 119.24 2kax n LYS 39 Ca 0.05 0.06 -0.10 0.00 -0.51 0.00 0.00 58.31 57.81 2kax n LYS 39 Cb 0.04 -1.50 -0.14 0.00 -0.51 0.00 0.00 35.03 32.92 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 -1.30 0.65 -0.03 1.97 4.76 -0.09 -4.69 118.16 119.43 2kax n LYS 40 Ca 0.11 0.28 -0.03 0.00 -2.87 0.00 0.00 58.31 55.80 2kax n LYS 40 Cb 0.20 -1.77 -0.04 0.00 -1.84 0.00 0.00 35.03 31.58 2kax n LYS 40 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2kax n GLU 41 N -3.07 2.01 -3.32 1.97 -0.00 -0.74 -5.04 120.64 112.46 2kax n GLU 41 Ca -0.19 0.01 -0.36 0.00 -0.00 0.00 0.00 57.16 56.63 2kax n GLU 41 Cb 1.06 -1.13 -0.06 0.00 -0.00 0.00 0.00 31.44 31.31 2kax n GLU 41 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2kax s LEU 42 N -4.76 4.35 0.05 -1.84 2.96 0.39 -5.09 118.68 114.74 2kax s LEU 42 Ca -0.05 1.14 0.06 0.00 -0.22 0.00 0.00 54.13 55.05 2kax s LEU 42 Cb 0.02 -3.28 -0.04 0.00 0.50 0.00 0.00 46.19 43.39 2kax s LEU 42 CO 0.19 0.11 -0.10 0.00 -1.32 0.00 0.00 176.35 175.22 2kax n LEU 44 N 1.20 0.00 0.02 0.00 4.77 -1.26 -4.91 117.00 116.81 2kax n LEU 44 Ca -0.15 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.94 2kax n LEU 44 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 2kax n LEU 44 CO 0.31 0.06 -0.41 0.61 -1.33 0.00 0.00 177.39 176.64 2kax n GLY 45 N 0.00 -1.12 0.42 -0.72 0.00 -1.26 -3.83 105.19 98.67 2kax n GLY 45 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.20 1.12 -2.70 1.61 0.00 -1.26 -4.95 120.64 112.26 2kax n GLU 46 Ca -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 57.16 57.01 2kax n GLU 46 Cb 0.52 -1.39 0.01 0.00 0.00 0.00 0.00 31.44 30.58 2kax n GLU 46 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2kax n MET 47 N -0.10 0.41 -2.89 3.44 2.00 -1.25 -5.15 117.12 113.59 2kax n MET 47 Ca 0.01 -0.90 -0.41 0.00 0.00 0.00 0.00 57.70 56.40 2kax n MET 47 Cb 0.21 1.19 -0.04 0.00 0.00 0.00 0.00 33.22 34.58 2kax n MET 47 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2kax s LYS 48 N -2.03 4.28 0.00 0.03 3.01 -1.25 -4.93 119.74 118.85 2kax s LYS 48 Ca 0.12 1.01 0.00 0.00 -1.01 0.00 0.00 55.97 56.09 2kax s LYS 48 Cb -0.02 -3.58 0.00 0.00 -1.01 0.00 0.00 37.83 33.22 2kax s LYS 48 CO 0.04 -0.35 0.00 -0.85 0.51 0.00 0.00 175.35 174.70 2kax n GLU 49 N 5.32 0.00 -1.34 1.68 -0.00 -1.26 -4.75 120.64 120.29 2kax n GLU 49 Ca 0.05 0.00 -0.38 0.00 -0.00 0.00 0.00 57.16 56.83 2kax n GLU 49 Cb 0.49 -0.39 -0.02 0.00 -0.00 0.00 0.00 31.44 31.52 2kax n GLU 49 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2kax n SER 50 N -2.48 6.52 0.00 -1.84 7.64 -1.26 -1.00 113.62 121.21 2kax n SER 50 Ca 0.00 -2.62 0.00 0.00 1.01 0.00 0.00 58.87 57.26 2kax n SER 50 Cb 0.23 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 61.93 2kax n SER 50 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2kax n SER 51 N 4.61 0.00 0.01 6.43 2.88 -1.26 -4.96 113.62 121.33 2kax n SER 51 Ca 0.65 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 58.06 2kax n SER 51 Cb 0.27 0.01 -0.01 0.00 -0.75 0.00 0.00 64.21 63.73 2kax n SER 51 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 2kax h ILE 52 N 0.00 1.32 0.00 2.46 -0.00 -1.36 -3.32 117.51 116.61 2kax h ILE 52 Ca 0.00 -1.99 0.00 0.00 -0.00 0.00 0.00 64.86 62.87 2kax h ILE 52 Cb 0.00 1.97 0.00 0.00 -0.00 0.00 0.00 36.82 38.79 2kax h ILE 52 CO 0.00 0.62 -0.29 -0.67 -0.00 0.00 0.00 178.15 177.80 2kax n ASP 53 N -3.91 0.31 -0.17 2.16 -0.08 -1.09 -2.13 116.55 111.65 2kax n ASP 53 Ca -0.05 0.08 -0.08 0.00 -1.51 0.00 0.00 54.79 53.23 2kax n ASP 53 Cb 0.70 -0.08 0.01 0.00 2.34 0.00 0.00 41.12 44.09 2kax n ASP 53 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2kax h ASP 54 N 0.00 0.69 -0.39 1.67 3.58 -1.85 -1.02 116.42 119.09 2kax h ASP 54 Ca 0.00 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.26 2kax h ASP 54 Cb 0.51 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 2kax h ASP 54 CO 0.00 0.68 0.21 -0.07 -2.88 0.00 0.00 179.24 177.17 2kax h LEU 55 N 0.66 0.50 -0.48 2.28 3.38 -1.56 -1.18 115.31 118.91 2kax h LEU 55 Ca 0.16 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2kax h LEU 55 Cb 0.21 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2kax h LEU 55 CO -0.01 0.46 0.23 0.24 0.09 0.00 0.00 178.44 179.44 2kax h MET 56 N 0.50 0.69 -0.76 1.13 2.86 -1.46 -1.27 114.93 116.62 2kax h MET 56 Ca 0.14 -0.10 0.17 0.00 -2.06 0.00 0.00 59.70 57.85 2kax h MET 56 Cb 0.08 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.57 2kax h MET 56 CO -0.02 0.58 0.52 -0.22 1.06 0.00 0.00 176.91 178.83 2kax h LYS 57 N 0.63 0.30 0.00 1.72 3.11 -0.99 -0.38 116.57 120.96 2kax h LYS 57 Ca 0.16 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.99 2kax h LYS 57 Cb 0.12 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.28 2kax h LYS 57 CO -0.02 0.20 0.00 0.77 -2.81 0.00 0.00 179.45 177.59 2kax h SER 58 N 0.31 0.00 0.00 4.20 0.02 -0.02 -2.87 113.55 115.20 2kax h SER 58 Ca 0.38 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.26 2kax h SER 58 Cb 1.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 2kax h SER 58 CO -0.10 0.00 -0.78 0.18 -1.14 0.00 0.00 176.83 174.99 2kax n LEU 59 N -2.88 1.83 0.00 5.07 4.77 -0.28 -4.49 117.00 121.02 2kax n LEU 59 Ca 0.03 0.56 0.13 0.00 -0.03 0.00 0.00 56.01 56.70 2kax n LEU 59 Cb 0.40 -0.88 0.66 0.00 -2.33 0.00 0.00 43.42 41.28 2kax n LEU 59 CO 0.29 -0.26 0.96 0.47 -1.33 0.00 0.00 177.39 177.52 2kax n ASP 60 N -4.55 0.00 -0.12 -1.43 9.92 -0.47 -1.75 116.55 118.14 2kax n ASP 60 Ca -0.15 0.03 -0.12 0.00 -0.53 0.00 0.00 54.79 54.03 2kax n ASP 60 Cb 0.40 -0.33 -0.09 0.00 -0.64 0.00 0.00 41.12 40.46 2kax n ASP 60 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 2kax h LYS 61 N 0.00 -0.32 0.00 -1.24 1.63 -1.71 -3.39 116.57 111.54 2kax h LYS 61 Ca 0.00 0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 59.66 2kax h LYS 61 Cb 0.30 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 2kax h LYS 61 CO 0.00 -0.22 -1.44 0.09 -3.45 0.00 0.00 179.45 174.43 2kax n ASN 62 N -4.98 1.93 0.00 4.20 4.13 -1.09 -4.99 115.26 114.45 2kax n ASN 62 Ca -0.03 0.37 0.00 0.00 1.68 0.00 0.00 54.58 56.60 2kax n ASN 62 Cb 0.29 -0.79 0.00 0.00 -1.54 0.00 0.00 39.78 37.74 2kax n ASN 62 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2kax n SER 63 N -4.41 0.00 -2.48 6.41 3.41 -0.72 -4.73 113.62 111.10 2kax n SER 63 Ca -0.27 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.04 2kax n SER 63 Cb 0.62 -0.15 0.02 0.00 -0.26 0.00 0.00 64.21 64.43 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 0.00 5.60 -3.95 4.04 8.00 -1.26 -3.69 116.55 125.29 2kax n ASP 64 Ca 0.00 -3.76 -0.16 0.00 0.71 0.00 0.00 54.79 51.58 2kax n ASP 64 Cb 0.00 -0.61 -0.14 0.00 -0.02 0.00 0.00 41.12 40.34 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 -3.69 0.42 0.48 -1.24 -0.21 -1.26 -5.03 119.66 109.12 2kax s GLN 65 Ca 0.51 -0.18 -0.10 0.00 0.02 0.00 0.00 55.36 55.61 2kax s GLN 65 Cb 0.42 -0.41 -0.06 0.00 1.00 0.00 0.00 33.01 33.96 2kax s GLN 65 CO -0.18 0.10 0.85 -1.21 -2.12 0.00 0.00 175.29 172.73 2kax s GLU 66 N -0.09 3.72 -0.01 2.91 2.02 -1.26 -0.70 118.70 125.30 2kax s GLU 66 Ca 0.02 0.52 -0.06 0.00 0.02 0.00 0.00 54.97 55.47 2kax s GLU 66 Cb -0.02 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 31.91 2kax s GLU 66 CO -0.00 -0.20 0.12 0.96 0.02 0.00 0.00 175.26 176.16 2kax s ILE 67 N -2.63 0.07 0.55 -1.63 -4.36 -0.26 -4.86 121.20 108.07 2kax s ILE 67 Ca 0.52 -0.58 -0.03 0.00 -0.26 0.00 0.00 60.65 60.30 2kax s ILE 67 Cb -0.10 -0.37 0.01 0.00 1.25 0.00 0.00 42.46 43.25 2kax s ILE 67 CO 0.38 -0.32 0.82 -0.62 0.24 0.00 0.00 174.94 175.44 2kax s ASP 68 N -1.10 5.58 0.60 4.36 2.15 -1.26 -2.34 116.67 124.65 2kax s ASP 68 Ca -0.12 0.47 0.28 0.00 0.43 0.00 0.00 52.55 53.61 2kax s ASP 68 Cb -0.07 -1.51 1.30 0.00 -0.30 0.00 0.00 42.92 42.35 2kax s ASP 68 CO 0.01 -0.99 1.69 0.15 -0.17 0.00 0.00 175.17 175.86 2kax h PHE 69 N 0.01 0.00 0.03 -5.34 3.04 -1.99 -2.41 116.94 110.28 2kax h PHE 69 Ca -0.45 0.00 -0.22 0.00 3.98 0.00 0.00 57.97 61.28 2kax h PHE 69 Cb 1.26 0.00 0.02 0.00 2.56 0.00 0.00 35.95 39.79 2kax h PHE 69 CO 0.44 0.00 -0.86 0.87 -2.02 0.00 0.00 178.31 176.74 2kax h LYS 70 N 0.00 0.53 -0.86 1.11 1.57 -1.94 0.13 116.57 117.11 2kax h LYS 70 Ca 0.31 -0.61 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2kax h LYS 70 Cb 1.79 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 34.24 2kax h LYS 70 CO -0.00 1.23 0.56 0.93 -0.57 0.00 0.00 179.45 181.59 2kax h GLU 71 N 0.09 1.15 -0.52 3.15 4.39 -1.84 0.12 114.58 121.13 2kax h GLU 71 Ca -0.12 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.44 2kax h GLU 71 Cb 1.56 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.94 2kax h GLU 71 CO 0.17 0.77 0.07 -0.92 -1.16 0.00 0.00 179.01 177.95 2kax h TYR 72 N 1.18 0.92 0.02 4.33 3.20 -1.37 -1.03 116.97 124.21 2kax h TYR 72 Ca 0.31 -0.13 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 2kax h TYR 72 Cb -0.11 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 37.91 2kax h TYR 72 CO 0.00 0.83 -0.01 1.03 -1.64 0.00 0.00 178.16 178.38 2kax h SER 73 N 0.74 -0.02 -0.17 -2.11 0.87 -0.18 -0.08 113.55 112.60 2kax h SER 73 Ca 0.16 -0.29 -0.04 0.00 -1.23 0.00 0.00 61.79 60.38 2kax h SER 73 Cb 0.42 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2kax h SER 73 CO 0.01 0.28 -0.02 -0.37 -0.53 0.00 0.00 176.83 176.21 2kax h VAL 74 N -0.32 1.18 -0.04 2.23 -1.51 -0.80 0.72 116.25 117.71 2kax h VAL 74 Ca -0.00 -0.72 -0.02 0.00 -1.23 0.00 0.00 66.70 64.73 2kax h VAL 74 Cb 0.31 0.98 -0.00 0.00 -2.13 0.00 0.00 31.29 30.45 2kax h VAL 74 CO 0.00 0.24 -0.06 0.15 -1.23 0.00 0.00 177.57 176.68 2kax h PHE 75 N 0.42 0.14 -0.99 5.19 3.04 -1.10 0.19 116.94 123.82 2kax h PHE 75 Ca 0.09 -0.04 0.09 0.00 3.98 0.00 0.00 57.97 62.09 2kax h PHE 75 Cb 0.30 -0.03 -0.08 0.00 2.56 0.00 0.00 35.95 38.71 2kax h PHE 75 CO 0.01 0.61 0.63 -0.07 -2.02 0.00 0.00 178.31 177.47 2kax h LEU 76 N -0.37 0.97 0.07 0.59 3.38 -0.83 0.17 115.31 119.29 2kax h LEU 76 Ca 0.00 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2kax h LEU 76 Cb 0.59 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2kax h LEU 76 CO 0.01 0.57 -0.04 0.74 0.09 0.00 0.00 178.44 179.81 2kax h THR 77 N 1.07 1.20 -0.96 0.22 2.02 -0.81 -0.45 112.91 115.20 2kax h THR 77 Ca 0.46 -1.16 0.08 0.00 0.77 0.00 0.00 66.41 66.57 2kax h THR 77 Cb 0.33 1.93 -0.07 0.00 -1.74 0.00 0.00 68.15 68.61 2kax h THR 77 CO -0.22 0.28 0.62 -0.03 0.37 0.00 0.00 175.52 176.54 2kax h MET 78 N -0.64 1.03 -0.01 6.66 1.85 -0.48 -0.83 114.93 122.50 2kax h MET 78 Ca -0.01 -0.06 -0.00 0.00 -0.61 0.00 0.00 59.70 59.01 2kax h MET 78 Cb 0.53 -0.23 -0.00 0.00 0.43 0.00 0.00 31.60 32.33 2kax h MET 78 CO 0.02 0.68 -0.00 1.25 -0.40 0.00 0.00 176.91 178.45 2kax h LEU 79 N 1.06 0.02 -0.69 3.39 5.85 -0.66 -1.04 115.31 123.25 2kax h LEU 79 Ca 0.43 -0.40 0.07 0.00 0.84 0.00 0.00 57.88 58.82 2kax h LEU 79 Cb 0.27 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 2kax h LEU 79 CO -0.18 0.42 0.38 0.00 -0.34 0.00 0.00 178.44 178.72 2kax n MET 81 N -4.79 1.34 0.00 0.00 2.81 -0.34 -3.17 117.12 112.97 2kax n MET 81 Ca 0.09 -0.51 0.14 0.00 -1.81 0.00 0.00 57.70 55.62 2kax n MET 81 Cb 0.19 -1.12 0.67 0.00 -0.71 0.00 0.00 33.22 32.25 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 -0.08 2.58 -1.52 3.04 0.00 -0.38 -4.54 120.51 119.61 2kax n ALA 82 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2kax n ALA 82 Cb 0.13 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 -1.27 0.00 -1.18 0.00 0.18 -1.24 -4.81 117.16 108.83 2kax n TYR 83 Ca 0.12 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.59 2kax n TYR 83 Cb 0.28 0.09 0.10 0.00 -0.38 0.00 0.00 39.34 39.43 2kax n TYR 83 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2kax s ASN 84 N 0.00 4.28 0.37 9.48 4.22 -1.19 -5.02 114.94 127.09 2kax s ASN 84 Ca 0.00 1.87 -0.15 0.00 -2.14 0.00 0.00 52.86 52.43 2kax s ASN 84 Cb 0.00 -2.52 0.06 0.00 1.28 0.00 0.00 41.25 40.07 2kax s ASN 84 CO 0.00 -2.19 0.81 -0.90 -2.04 0.00 0.00 177.10 172.79 2kax n ASP 85 N -3.62 -2.22 0.00 3.54 5.75 -1.26 -4.97 116.55 113.76 2kax n ASP 85 Ca 0.09 -2.51 0.00 0.00 -0.01 0.00 0.00 54.79 52.37 2kax n ASP 85 Cb 0.53 3.70 0.00 0.00 -1.03 0.00 0.00 41.12 44.32 2kax n ASP 85 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2kax n PHE 86 N -0.55 0.00 1.27 2.11 -0.00 -1.26 -4.48 117.46 114.55 2kax n PHE 86 Ca -0.08 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.50 2kax n PHE 86 Cb 0.59 0.00 0.50 0.00 -0.00 0.00 0.00 39.48 40.56 2kax n PHE 86 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 2kax n PHE 87 N 0.00 0.00 -2.10 -5.13 3.72 -1.26 -5.01 117.46 107.68 2kax n PHE 87 Ca 0.00 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.12 2kax n PHE 87 Cb 0.00 -0.20 0.14 0.00 -0.94 0.00 0.00 39.48 38.48 2kax n PHE 87 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2kax s LEU 88 N -2.60 2.75 -0.21 4.37 2.01 -1.26 -5.05 118.68 118.70 2kax s LEU 88 Ca 0.24 0.25 -0.07 0.00 0.01 0.00 0.00 54.13 54.55 2kax s LEU 88 Cb 0.19 -2.52 -0.19 0.00 0.01 0.00 0.00 46.19 43.68 2kax s LEU 88 CO 0.52 -2.25 0.01 -0.62 1.01 0.00 0.00 176.35 175.02 2kax n GLU 89 N -3.38 0.66 0.00 1.70 4.71 -0.63 -4.97 120.64 118.73 2kax n GLU 89 Ca 0.13 0.27 0.00 0.00 -0.01 0.00 0.00 57.16 57.55 2kax n GLU 89 Cb 0.60 -1.61 0.00 0.00 -1.01 0.00 0.00 31.44 29.42 2kax n GLU 89 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 2kax n ASP 90 N -3.69 0.00 0.00 1.62 5.68 -1.26 -5.01 116.55 113.88 2kax n ASP 90 Ca -0.41 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.88 2kax n ASP 90 Cb 0.94 0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.95 2kax n ASP 90 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 2kax n ASN 91 N -1.58 0.00 -0.50 -1.12 4.05 -1.26 -5.16 115.26 109.69 2kax n ASN 91 Ca 0.00 0.00 0.06 0.00 0.45 0.00 0.00 54.58 55.09 2kax n ASN 91 Cb 0.00 0.00 0.05 0.00 1.23 0.00 0.00 39.78 41.06 2kax n ASN 91 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50