#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kax h GLU 2 N 0.00 -0.04 -5.36 0.03 4.81 -2.04 -3.46 114.58 108.52 2kax h GLU 2 Ca 0.00 0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 58.76 2kax h GLU 2 Cb 0.00 0.01 -0.14 0.00 0.63 0.00 0.00 28.75 29.25 2kax h GLU 2 CO 0.00 0.03 -0.65 0.95 -0.73 0.00 0.00 179.01 178.61 2kax s THR 3 N -5.94 1.43 0.16 0.32 -4.23 -1.26 -5.07 115.64 101.05 2kax s THR 3 Ca -0.14 -2.07 -0.02 0.00 -1.18 0.00 0.00 61.69 58.29 2kax s THR 3 Cb 0.05 -2.56 -0.12 0.00 1.34 0.00 0.00 72.50 71.21 2kax s THR 3 CO 0.66 -0.20 1.40 1.55 -0.54 0.00 0.00 174.62 177.49 2kax h PRO 4 N 2.24 0.41 -0.00 3.99 0.13 -2.01 -3.27 132.00 133.49 2kax h PRO 4 Ca -0.40 -0.36 -0.17 0.00 -0.87 0.00 0.00 66.00 64.20 2kax h PRO 4 Cb 1.24 0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 2kax h PRO 4 CO 0.68 1.01 -0.79 1.25 -0.23 0.00 0.00 178.00 179.92 2kax h LEU 5 N 0.27 0.07 -1.28 1.56 6.46 -2.00 -2.12 115.31 118.27 2kax h LEU 5 Ca -0.04 -0.05 0.16 0.00 -0.12 0.00 0.00 57.88 57.82 2kax h LEU 5 Cb 1.37 -0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 41.20 2kax h LEU 5 CO 0.13 0.82 0.58 -0.08 -0.62 0.00 0.00 178.44 179.28 2kax h GLU 6 N 0.03 0.65 -0.19 1.25 4.22 -1.99 -0.20 114.58 118.35 2kax h GLU 6 Ca -0.02 -0.04 -0.05 0.00 0.08 0.00 0.00 59.36 59.33 2kax h GLU 6 Cb 1.38 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2kax h GLU 6 CO 0.11 0.43 -0.11 -0.22 -2.18 0.00 0.00 179.01 177.04 2kax h LYS 7 N 0.67 0.31 0.20 1.92 3.11 -1.43 0.12 116.57 121.47 2kax h LYS 7 Ca 0.47 -0.07 -0.01 0.00 -2.81 0.00 0.00 60.65 58.23 2kax h LYS 7 Cb 0.80 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.99 2kax h LYS 7 CO -0.22 0.43 -0.10 0.00 -2.81 0.00 0.00 179.45 176.75 2kax h ALA 8 N 1.60 -0.27 -0.97 5.00 0.00 -0.94 0.95 119.26 124.63 2kax h ALA 8 Ca 0.06 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.92 2kax h ALA 8 Cb 0.38 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2kax h ALA 8 CO 0.02 -0.58 0.63 -0.07 0.00 0.00 0.00 179.25 179.25 2kax h LEU 9 N -0.42 0.99 -0.77 0.00 -0.00 -1.29 -1.53 115.31 112.29 2kax h LEU 9 Ca -0.03 0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 57.82 2kax h LEU 9 Cb 0.32 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 40.74 2kax h LEU 9 CO 0.05 0.63 0.31 0.74 -0.00 0.00 0.00 178.44 180.17 2kax h THR 10 N 1.12 1.26 -0.43 0.22 2.02 -0.17 0.88 112.91 117.80 2kax h THR 10 Ca 0.42 -0.81 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 2kax h THR 10 Cb 0.17 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 2kax h THR 10 CO -0.16 0.33 0.06 0.74 0.37 0.00 0.00 175.52 176.86 2kax h THR 11 N 1.12 1.25 -0.50 3.16 2.02 -0.46 -0.82 112.91 118.67 2kax h THR 11 Ca 0.26 -0.91 -0.08 0.00 0.77 0.00 0.00 66.41 66.44 2kax h THR 11 Cb 0.22 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 2kax h THR 11 CO -0.02 0.32 -0.02 0.24 0.37 0.00 0.00 175.52 176.41 2kax h MET 12 N 0.58 0.90 -0.24 6.66 2.07 -0.60 -1.20 114.93 123.10 2kax h MET 12 Ca 0.13 -0.30 -0.16 0.00 -2.07 0.00 0.00 59.70 57.30 2kax h MET 12 Cb 0.40 -0.08 -0.00 0.00 -1.87 0.00 0.00 31.60 30.04 2kax h MET 12 CO 0.01 0.94 -0.51 -0.39 1.07 0.00 0.00 176.91 178.03 2kax h VAL 13 N 0.77 1.30 0.31 -2.22 -1.51 -0.84 -2.02 116.25 112.03 2kax h VAL 13 Ca 0.14 -1.72 -0.01 0.00 -1.23 0.00 0.00 66.70 63.88 2kax h VAL 13 Cb 0.54 1.66 -0.01 0.00 -2.13 0.00 0.00 31.29 31.35 2kax h VAL 13 CO 0.03 0.55 -0.19 0.74 -1.23 0.00 0.00 177.57 177.46 2kax h THR 14 N 0.54 0.59 0.11 7.19 2.02 -1.04 -0.53 112.91 121.78 2kax h THR 14 Ca 0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 2kax h THR 14 Cb 1.07 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2kax h THR 14 CO 0.10 0.00 -0.05 0.71 0.37 0.00 0.00 175.52 176.65 2kax h THR 15 N -0.49 0.95 -0.33 3.16 1.35 -1.28 -2.58 112.91 113.70 2kax h THR 15 Ca -0.03 -0.21 0.01 0.00 -0.55 0.00 0.00 66.41 65.63 2kax h THR 15 Cb 0.41 1.08 -0.02 0.00 -1.73 0.00 0.00 68.15 67.89 2kax h THR 15 CO 0.03 0.05 0.21 0.15 -0.25 0.00 0.00 175.52 175.71 2kax h PHE 16 N -0.24 0.39 -1.00 4.73 3.04 -1.36 -2.57 116.94 119.93 2kax h PHE 16 Ca -0.01 0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.01 2kax h PHE 16 Cb 0.19 -0.13 -0.07 0.00 2.56 0.00 0.00 35.95 38.51 2kax h PHE 16 CO -0.04 0.24 0.65 1.25 -2.02 0.00 0.00 178.31 178.39 2kax h HIS 17 N 0.43 1.20 -0.03 0.41 2.76 -1.08 -2.33 115.15 116.51 2kax h HIS 17 Ca 0.12 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.33 2kax h HIS 17 Cb -0.03 -0.40 -0.00 0.00 1.55 0.00 0.00 27.41 28.53 2kax h HIS 17 CO -0.06 0.63 0.07 -0.22 -1.30 0.00 0.00 177.93 177.05 2kax h LYS 18 N 1.18 0.00 -0.18 5.26 3.11 -1.03 0.17 116.57 125.07 2kax h LYS 18 Ca 0.43 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.27 2kax h LYS 18 Cb 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 2kax h LYS 18 CO -0.17 0.00 0.00 0.66 -2.81 0.00 0.00 179.45 177.13 2kax n TYR 19 N -3.34 0.23 0.01 1.91 4.01 -0.90 -4.22 117.16 114.85 2kax n TYR 19 Ca -0.02 -0.22 -0.01 0.00 -0.16 0.00 0.00 57.90 57.49 2kax n TYR 19 Cb 0.15 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 39.16 2kax n TYR 19 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2kax n SER 20 N 0.70 0.63 -0.92 7.72 7.64 -0.48 -4.66 113.62 124.25 2kax n SER 20 Ca 0.10 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2kax n SER 20 Cb 0.38 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2kax n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kax n GLY 21 N 2.97 1.37 0.14 0.23 0.00 -0.08 -1.97 105.19 107.85 2kax n GLY 21 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 2kax n GLY 21 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kax h ARG 22 N 0.53 0.43 0.00 1.61 0.11 -1.73 -3.43 114.38 111.90 2kax h ARG 22 Ca 0.00 -0.44 0.00 0.00 0.10 0.00 0.00 59.98 59.64 2kax h ARG 22 Cb 0.65 0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.86 2kax h ARG 22 CO 0.00 1.10 -0.56 0.39 0.10 0.00 0.00 179.97 181.01 2kax n GLU 23 N -4.21 2.54 0.00 0.08 4.71 -1.21 -5.14 120.64 117.41 2kax n GLU 23 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.05 2kax n GLU 23 Cb 0.67 -0.76 0.00 0.00 -1.01 0.00 0.00 31.44 30.33 2kax n GLU 23 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2kax n GLY 24 N 1.43 4.65 3.55 0.62 0.00 -0.83 -5.11 105.19 109.50 2kax n GLY 24 Ca 0.00 -0.51 -0.47 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 2.82 0.13 1.61 7.64 -1.26 -3.80 113.62 120.76 2kax n SER 25 Ca 0.00 0.42 0.10 0.00 1.01 0.00 0.00 58.87 60.41 2kax n SER 25 Cb 0.00 -1.40 0.49 0.00 -1.01 0.00 0.00 64.21 62.29 2kax n SER 25 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kax n LYS 26 N 8.17 0.15 0.00 1.43 5.02 -1.26 -1.04 118.16 130.63 2kax n LYS 26 Ca 0.33 0.51 0.09 0.00 -2.02 0.00 0.00 58.31 57.22 2kax n LYS 26 Cb 0.33 -1.87 -0.04 0.00 -0.02 0.00 0.00 35.03 33.43 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 -2.16 1.40 -3.84 -0.35 4.77 -1.26 -4.66 117.00 110.90 2kax n LEU 27 Ca 0.00 -0.66 -0.12 0.00 -0.03 0.00 0.00 56.01 55.21 2kax n LEU 27 Cb 0.13 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.11 2kax n LEU 27 CO 0.14 0.28 -0.14 0.42 -1.33 0.00 0.00 177.39 176.76 2kax s THR 28 N -2.33 0.06 0.10 -5.08 -4.23 -0.20 -3.91 115.64 100.05 2kax s THR 28 Ca 0.12 -0.51 -0.14 0.00 -1.18 0.00 0.00 61.69 59.98 2kax s THR 28 Cb 0.14 -0.43 0.02 0.00 1.34 0.00 0.00 72.50 73.58 2kax s THR 28 CO 0.57 -0.28 0.34 -1.48 -0.54 0.00 0.00 174.62 173.23 2kax s LEU 29 N -1.04 0.71 0.38 4.79 2.34 -1.04 -4.09 118.68 120.72 2kax s LEU 29 Ca -0.11 -0.36 -0.26 0.00 0.06 0.00 0.00 54.13 53.46 2kax s LEU 29 Cb -0.06 1.58 -0.09 0.00 -0.56 0.00 0.00 46.19 47.06 2kax s LEU 29 CO 0.02 -0.78 1.13 -0.94 -1.06 0.00 0.00 176.35 174.72 2kax s SER 30 N -2.68 6.70 0.57 1.48 1.04 -1.26 -0.42 113.70 119.14 2kax s SER 30 Ca 0.02 2.27 0.38 0.00 0.48 0.00 0.00 55.95 59.10 2kax s SER 30 Cb 0.02 -2.61 1.93 0.00 0.10 0.00 0.00 66.02 65.46 2kax s SER 30 CO -0.10 -0.54 2.15 0.08 0.98 0.00 0.00 173.24 175.81 2kax h ARG 31 N 2.82 0.00 0.11 4.02 0.11 -0.97 0.22 114.38 120.69 2kax h ARG 31 Ca -0.48 0.00 0.02 0.00 0.10 0.00 0.00 59.98 59.61 2kax h ARG 31 Cb 1.23 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.26 2kax h ARG 31 CO 0.63 0.00 -0.50 -0.22 0.10 0.00 0.00 179.97 179.99 2kax h LYS 32 N 0.00 -0.69 -0.01 0.08 3.11 -1.13 -3.14 116.57 114.79 2kax h LYS 32 Ca 0.00 0.05 -0.17 0.00 -2.81 0.00 0.00 60.65 57.72 2kax h LYS 32 Cb 0.15 0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.52 2kax h LYS 32 CO 0.00 -0.46 -0.76 1.49 -2.81 0.00 0.00 179.45 176.91 2kax h GLU 33 N -0.72 0.07 -0.49 1.90 4.57 -0.86 -2.90 114.58 116.17 2kax h GLU 33 Ca 0.01 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2kax h GLU 33 Cb 0.74 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.32 2kax h GLU 33 CO -0.28 0.80 0.30 1.25 -1.18 0.00 0.00 179.01 179.90 2kax h LEU 34 N 0.05 0.51 -1.39 1.64 5.85 -1.52 -1.77 115.31 118.68 2kax h LEU 34 Ca -0.02 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 2kax h LEU 34 Cb 1.34 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 2kax h LEU 34 CO 0.11 0.37 -0.30 0.07 -0.34 0.00 0.00 178.44 178.34 2kax h LYS 35 N 0.62 0.00 0.34 1.25 2.10 -1.47 -2.71 116.57 116.69 2kax h LYS 35 Ca 0.19 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.82 2kax h LYS 35 Cb -0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 2kax h LYS 35 CO -0.06 0.30 -0.16 1.49 -2.00 0.00 0.00 179.45 179.01 2kax h GLU 36 N 0.00 -0.44 -0.66 0.07 4.57 -1.18 -2.97 114.58 113.97 2kax h GLU 36 Ca -0.00 0.03 0.13 0.00 -1.18 0.00 0.00 59.36 58.34 2kax h GLU 36 Cb 0.59 0.10 -0.10 0.00 -0.16 0.00 0.00 28.75 29.18 2kax h GLU 36 CO 0.04 -0.25 0.13 1.25 -1.18 0.00 0.00 179.01 179.00 2kax h LEU 37 N -0.53 -0.02 -1.41 1.64 5.85 -1.11 0.23 115.31 119.95 2kax h LEU 37 Ca -0.05 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2kax h LEU 37 Cb 0.40 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.61 2kax h LEU 37 CO 0.08 -0.02 0.00 0.40 -0.34 0.00 0.00 178.44 178.56 2kax h ILE 38 N 0.25 0.00 -0.01 4.05 2.04 -1.45 0.25 117.51 122.65 2kax h ILE 38 Ca 0.36 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.97 2kax h ILE 38 Cb 0.57 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2kax h ILE 38 CO -0.46 0.00 -0.32 0.29 0.00 0.00 0.00 178.15 177.66 2kax n LYS 39 N -2.64 2.19 -0.12 2.37 4.76 -0.16 -3.33 118.16 121.23 2kax n LYS 39 Ca 0.00 -0.54 -0.22 0.00 -2.87 0.00 0.00 58.31 54.68 2kax n LYS 39 Cb 0.20 -1.13 -0.12 0.00 -1.84 0.00 0.00 35.03 32.14 2kax n LYS 39 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2kax n LYS 40 N -0.43 0.64 0.00 1.97 4.76 0.63 -4.74 118.16 120.99 2kax n LYS 40 Ca 0.04 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 2kax n LYS 40 Cb 0.24 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 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 -3.65 5.83 -4.24 1.97 1.02 0.01 -4.98 120.64 116.59 2kax n GLU 41 Ca -0.47 -0.02 -0.26 0.00 -0.02 0.00 0.00 57.16 56.40 2kax n GLU 41 Cb 0.95 -0.45 -0.07 0.00 -0.02 0.00 0.00 31.44 31.84 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 -1.67 2.97 -0.28 -4.62 0.20 -1.07 -5.02 118.68 109.18 2kax s LEU 42 Ca 0.00 -1.19 -0.23 0.00 0.69 0.00 0.00 54.13 53.40 2kax s LEU 42 Cb 0.00 -1.27 0.12 0.00 -0.43 0.00 0.00 46.19 44.62 2kax s LEU 42 CO 0.00 -0.61 1.00 0.00 -0.29 0.00 0.00 176.35 176.45 2kax n LEU 44 N 2.63 0.00 0.19 0.00 -0.00 -1.26 -4.94 117.00 113.61 2kax n LEU 44 Ca -0.14 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.01 2kax n LEU 44 Cb 0.56 0.00 0.59 0.00 -0.00 0.00 0.00 43.42 44.58 2kax n LEU 44 CO 0.02 0.00 0.91 1.23 -0.00 0.00 0.00 177.39 179.55 2kax h GLY 45 N 0.00 0.00 -1.13 1.47 0.00 -1.94 -1.93 103.07 99.54 2kax h GLY 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kax h GLY 45 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.54 174.70 2kax n GLU 46 N -2.53 2.61 -0.00 4.80 0.00 -1.26 -4.66 120.64 119.60 2kax n GLU 46 Ca 0.01 -2.57 -0.00 0.00 0.00 0.00 0.00 57.16 54.60 2kax n GLU 46 Cb 0.23 -1.62 -0.01 0.00 0.00 0.00 0.00 31.44 30.04 2kax n GLU 46 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 2kax n MET 47 N -0.51 3.82 -4.40 3.44 1.56 -0.74 -5.12 117.12 115.18 2kax n MET 47 Ca 0.17 -0.00 -0.21 0.00 -0.27 0.00 0.00 57.70 57.39 2kax n MET 47 Cb 0.72 -1.02 -0.09 0.00 2.15 0.00 0.00 33.22 34.98 2kax n MET 47 CO 0.00 0.00 0.00 -1.59 -0.73 0.00 0.00 175.97 173.65 2kax s LYS 48 N -2.02 1.70 0.00 2.12 0.00 -1.10 -5.09 119.74 115.35 2kax s LYS 48 Ca -0.00 -1.99 0.00 0.00 0.00 0.00 0.00 55.97 53.98 2kax s LYS 48 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 37.83 37.49 2kax s LYS 48 CO 0.03 -0.43 0.88 -0.85 0.00 0.00 0.00 175.35 174.98 2kax n GLU 49 N -0.69 0.00 -1.09 1.78 -0.00 -1.26 -4.90 120.64 114.47 2kax n GLU 49 Ca -0.01 0.46 0.00 0.00 -0.00 0.00 0.00 57.16 57.61 2kax n GLU 49 Cb 0.65 -1.38 0.00 0.00 -0.00 0.00 0.00 31.44 30.71 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 -1.78 0.00 0.00 -1.84 7.64 -1.26 -5.04 113.62 111.34 2kax n SER 50 Ca 0.00 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 58.99 2kax n SER 50 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2kax n SER 50 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2kax n SER 51 N -0.68 0.00 -0.11 6.43 7.64 -1.26 -4.57 113.62 121.07 2kax n SER 51 Ca 0.00 0.00 0.24 0.00 1.01 0.00 0.00 58.87 60.12 2kax n SER 51 Cb 0.00 0.00 0.68 0.00 -1.01 0.00 0.00 64.21 63.88 2kax n SER 51 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2kax h ILE 52 N 0.00 0.65 -0.79 0.44 -0.00 -1.96 -2.62 117.51 113.23 2kax h ILE 52 Ca 0.00 -0.02 -0.05 0.00 -0.00 0.00 0.00 64.86 64.80 2kax h ILE 52 Cb 0.00 0.59 -0.03 0.00 -0.00 0.00 0.00 36.82 37.38 2kax h ILE 52 CO 0.00 0.01 0.32 -0.78 -0.00 0.00 0.00 178.15 177.70 2kax h ASP 53 N 0.06 1.09 1.20 2.19 3.58 -1.99 0.41 116.42 122.96 2kax h ASP 53 Ca 0.35 -0.17 -0.12 0.00 0.42 0.00 0.00 57.03 57.51 2kax h ASP 53 Cb 1.32 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 42.07 2kax h ASP 53 CO -0.02 0.97 -0.57 -0.78 -2.88 0.00 0.00 179.24 175.95 2kax h ASP 54 N 1.15 0.00 -0.44 2.28 3.58 -1.87 -0.64 116.42 120.49 2kax h ASP 54 Ca 0.26 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.71 2kax h ASP 54 Cb 0.22 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 2kax h ASP 54 CO -0.02 0.57 0.26 -0.07 -2.88 0.00 0.00 179.24 177.10 2kax h LEU 55 N 0.00 0.52 -0.69 2.28 3.38 -1.27 0.27 115.31 119.80 2kax h LEU 55 Ca -0.01 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2kax h LEU 55 Cb 1.33 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 2kax h LEU 55 CO 0.07 0.42 0.37 0.24 0.09 0.00 0.00 178.44 179.63 2kax h MET 56 N 0.58 0.97 -0.12 1.13 2.86 -0.78 -1.79 114.93 117.78 2kax h MET 56 Ca 0.16 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2kax h MET 56 Cb -0.00 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 2kax h MET 56 CO -0.03 0.74 0.03 0.87 1.06 0.00 0.00 176.91 179.58 2kax h LYS 57 N 0.95 0.17 0.00 1.72 6.56 -0.72 -0.25 116.57 125.00 2kax h LYS 57 Ca 0.24 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.82 2kax h LYS 57 Cb 0.06 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.69 2kax h LYS 57 CO -0.04 0.16 0.00 0.43 -2.06 0.00 0.00 179.45 177.94 2kax n SER 58 N -4.47 0.00 -0.08 0.86 7.64 0.92 -0.32 113.62 118.17 2kax n SER 58 Ca -0.01 -0.54 -0.12 0.00 1.01 0.00 0.00 58.87 59.21 2kax n SER 58 Cb 0.12 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.25 2kax n SER 58 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kax n LEU 59 N -0.98 2.87 -0.27 -3.43 4.77 -0.21 -4.66 117.00 115.08 2kax n LEU 59 Ca 0.12 -0.07 -0.03 0.00 -0.03 0.00 0.00 56.01 56.00 2kax n LEU 59 Cb 0.06 -0.55 0.08 0.00 -2.33 0.00 0.00 43.42 40.67 2kax n LEU 59 CO 0.09 0.74 1.17 0.44 -1.33 0.00 0.00 177.39 178.50 2kax h ASP 60 N -0.04 0.80 0.26 -1.43 3.32 -1.01 -2.36 116.42 115.96 2kax h ASP 60 Ca -0.36 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.68 2kax h ASP 60 Cb 1.54 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.91 2kax h ASP 60 CO -0.07 0.56 0.00 2.29 -1.72 0.00 0.00 179.24 180.30 2kax n LYS 61 N -4.62 0.01 0.02 3.56 2.85 0.57 -3.14 118.16 117.41 2kax n LYS 61 Ca 0.08 0.38 0.00 0.00 -1.05 0.00 0.00 58.31 57.72 2kax n LYS 61 Cb 0.07 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 32.93 2kax n LYS 61 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2kax n ASN 62 N -1.54 0.40 0.00 -5.58 4.13 -1.25 -5.08 115.26 106.35 2kax n ASN 62 Ca 0.02 0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.35 2kax n ASN 62 Cb 0.09 -0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.23 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 -3.17 0.00 0.02 6.41 3.41 -0.89 -4.71 113.62 114.68 2kax n SER 63 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.41 2kax n SER 63 Cb 0.27 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.07 2kax n SER 63 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2kax h ASP 64 N 0.00 0.39 -4.01 4.04 2.03 -1.91 0.27 116.42 117.23 2kax h ASP 64 Ca 0.00 -0.79 -0.50 0.00 -0.73 0.00 0.00 57.03 55.01 2kax h ASP 64 Cb 0.00 -0.13 0.06 0.00 -0.83 0.00 0.00 39.33 38.43 2kax h ASP 64 CO 0.00 1.70 0.46 -1.10 -1.03 0.00 0.00 179.24 179.27 2kax s GLN 65 N -2.57 3.75 0.37 4.15 -0.21 -1.26 -4.56 119.66 119.32 2kax s GLN 65 Ca -0.18 1.68 -0.25 0.00 0.02 0.00 0.00 55.36 56.63 2kax s GLN 65 Cb 0.07 -2.34 -0.09 0.00 1.00 0.00 0.00 33.01 31.64 2kax s GLN 65 CO 0.80 -0.53 1.02 -1.21 -2.12 0.00 0.00 175.29 173.24 2kax s GLU 66 N -2.80 4.34 -0.03 2.91 2.02 -1.26 -1.17 118.70 122.71 2kax s GLU 66 Ca 0.64 1.47 0.07 0.00 0.02 0.00 0.00 54.97 57.18 2kax s GLU 66 Cb -0.26 -2.67 -0.02 0.00 0.10 0.00 0.00 34.13 31.28 2kax s GLU 66 CO 0.31 0.02 -0.25 0.42 0.02 0.00 0.00 175.26 175.79 2kax s ILE 67 N -1.61 2.15 0.34 -1.63 1.01 0.44 -4.89 121.20 117.00 2kax s ILE 67 Ca 0.54 -1.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 2kax s ILE 67 Cb -0.22 -1.75 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 2kax s ILE 67 CO 0.27 0.58 0.64 -0.62 0.00 0.00 0.00 174.94 175.81 2kax s ASP 68 N -0.60 6.46 0.40 3.58 -1.08 -1.26 -2.49 116.67 121.68 2kax s ASP 68 Ca 0.09 0.86 0.19 0.00 -0.52 0.00 0.00 52.55 53.17 2kax s ASP 68 Cb -0.10 -2.20 0.64 0.00 -1.46 0.00 0.00 42.92 39.79 2kax s ASP 68 CO -0.01 -0.29 0.87 0.49 0.52 0.00 0.00 175.17 176.76 2kax n PHE 69 N -1.15 0.00 0.06 -5.34 3.72 -1.25 -1.93 117.46 111.57 2kax n PHE 69 Ca -0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 2kax n PHE 69 Cb 0.54 -0.18 -0.09 0.00 -0.94 0.00 0.00 39.48 38.81 2kax n PHE 69 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2kax h LYS 70 N 0.00 -0.16 -0.65 -1.08 6.56 -1.95 0.63 116.57 119.91 2kax h LYS 70 Ca 0.35 0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.95 2kax h LYS 70 Cb 1.98 0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 33.65 2kax h LYS 70 CO -0.00 0.20 0.40 0.93 -2.06 0.00 0.00 179.45 178.92 2kax h GLU 71 N -0.55 0.87 -0.26 3.15 5.08 -1.79 -0.01 114.58 121.06 2kax h GLU 71 Ca -0.02 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2kax h GLU 71 Cb 0.44 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2kax h GLU 71 CO 0.03 0.60 0.10 -0.92 -1.00 0.00 0.00 179.01 177.82 2kax h TYR 72 N 0.89 0.41 -0.25 4.33 3.20 -1.60 -0.06 116.97 123.89 2kax h TYR 72 Ca 0.24 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 2kax h TYR 72 Cb -0.06 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 2kax h TYR 72 CO 0.00 0.43 0.05 1.03 -1.64 0.00 0.00 178.16 178.03 2kax h SER 73 N 0.27 0.39 -0.13 -2.11 0.87 -0.37 0.46 113.55 112.94 2kax h SER 73 Ca 0.09 -0.25 -0.07 0.00 -1.23 0.00 0.00 61.79 60.33 2kax h SER 73 Cb 0.20 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 2kax h SER 73 CO -0.01 0.54 -0.13 -0.37 -0.53 0.00 0.00 176.83 176.33 2kax h VAL 74 N 0.22 1.23 -0.06 2.23 -1.51 -0.96 -0.35 116.25 117.06 2kax h VAL 74 Ca 0.08 -1.03 -0.11 0.00 -1.23 0.00 0.00 66.70 64.41 2kax h VAL 74 Cb 0.31 1.16 0.01 0.00 -2.13 0.00 0.00 31.29 30.64 2kax h VAL 74 CO 0.00 0.34 -0.38 0.15 -1.23 0.00 0.00 177.57 176.45 2kax h PHE 75 N 0.45 0.50 -0.39 5.19 3.04 -0.82 0.22 116.94 125.13 2kax h PHE 75 Ca 0.08 -0.23 -0.00 0.00 3.98 0.00 0.00 57.97 61.80 2kax h PHE 75 Cb 0.50 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.92 2kax h PHE 75 CO 0.02 0.99 0.23 -0.07 -2.02 0.00 0.00 178.31 177.46 2kax h LEU 76 N -0.13 0.47 -0.20 0.59 3.38 -0.91 -0.11 115.31 118.40 2kax h LEU 76 Ca -0.03 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2kax h LEU 76 Cb 1.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2kax h LEU 76 CO 0.08 0.39 -0.09 0.74 0.09 0.00 0.00 178.44 179.65 2kax h THR 77 N 0.51 1.30 -0.47 0.22 2.02 -1.08 -0.45 112.91 114.98 2kax h THR 77 Ca 0.14 -1.14 0.09 0.00 0.77 0.00 0.00 66.41 66.27 2kax h THR 77 Cb 0.00 1.63 -0.07 0.00 -1.74 0.00 0.00 68.15 67.98 2kax h THR 77 CO -0.03 0.34 0.03 -0.03 0.37 0.00 0.00 175.52 176.21 2kax h MET 78 N 0.11 0.15 -0.67 6.66 1.85 -0.52 0.50 114.93 123.01 2kax h MET 78 Ca 0.05 -0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.09 2kax h MET 78 Cb 0.57 -0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.54 2kax h MET 78 CO 0.03 0.10 0.29 -0.07 -0.40 0.00 0.00 176.91 176.85 2kax h LEU 79 N 0.15 0.90 -0.53 3.39 4.07 -0.85 0.26 115.31 122.71 2kax h LEU 79 Ca 0.23 -0.16 0.03 0.00 0.08 0.00 0.00 57.88 58.07 2kax h LEU 79 Cb 0.33 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.80 2kax h LEU 79 CO -0.36 0.81 0.30 0.00 -1.08 0.00 0.00 178.44 178.12 2kax h MET 81 N 0.59 0.00 0.00 0.00 -0.00 -0.68 -3.25 114.93 111.59 2kax h MET 81 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.92 2kax h MET 81 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.67 2kax h MET 81 CO -0.12 0.46 0.00 0.00 -0.00 0.00 0.00 176.91 177.25 2kax n ALA 82 N -2.29 1.63 -1.93 -3.00 0.00 0.91 -1.80 120.51 114.04 2kax n ALA 82 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2kax n ALA 82 Cb 0.60 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.76 0.00 1.78 0.00 4.11 -1.26 -4.96 117.16 116.07 2kax n TYR 83 Ca 0.02 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.04 2kax n TYR 83 Cb 0.01 0.21 0.64 0.00 -0.00 0.00 0.00 39.34 40.20 2kax n TYR 83 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 2kax n ASN 84 N 0.00 0.54 0.30 9.48 2.85 -0.74 -3.41 115.26 124.29 2kax n ASN 84 Ca 0.00 -1.35 0.20 0.00 -0.11 0.00 0.00 54.58 53.32 2kax n ASN 84 Cb 0.47 -0.02 0.92 0.00 1.24 0.00 0.00 39.78 42.40 2kax n ASN 84 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 2kax h ASP 85 N 0.78 0.00 -0.06 1.20 3.58 -1.92 -1.12 116.42 118.89 2kax h ASP 85 Ca 0.00 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.47 2kax h ASP 85 Cb 0.17 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.22 2kax h ASP 85 CO 0.00 0.00 0.23 -0.26 -2.88 0.00 0.00 179.24 176.33 2kax h PHE 86 N 0.00 0.00 -0.01 0.28 -1.00 -1.97 -0.29 116.94 113.95 2kax h PHE 86 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2kax h PHE 86 Cb 0.29 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.85 2kax h PHE 86 CO 0.00 0.00 -0.37 1.19 -1.61 0.00 0.00 178.31 177.52 2kax n PHE 87 N -3.14 0.00 0.00 -0.55 3.01 -0.42 -4.88 117.46 111.47 2kax n PHE 87 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 2kax n PHE 87 Cb 0.31 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.74 2kax n PHE 87 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 2kax n LEU 88 N -0.08 0.00 -0.21 4.37 0.00 -0.12 -5.06 117.00 115.90 2kax n LEU 88 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.12 2kax n LEU 88 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.86 2kax n LEU 88 CO 0.26 0.00 0.11 -0.62 0.00 0.00 0.00 177.39 177.14 2kax n GLU 89 N 0.00 0.00 0.00 1.96 1.02 -1.26 -5.05 120.64 117.31 2kax n GLU 89 Ca 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2kax n GLU 89 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 31.44 31.41 2kax n GLU 89 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2kax n ASP 90 N 0.00 0.00 -0.26 1.62 2.03 -1.26 -4.80 116.55 113.88 2kax n ASP 90 Ca 0.00 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 2kax n ASP 90 Cb 0.50 -0.29 0.08 0.00 -0.72 0.00 0.00 41.12 40.69 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 0.00 0.75 0.00 1.67 -1.24 -1.97 -3.54 115.58 111.25 2kax h ASN 91 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2kax h ASN 91 Cb 0.00 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 38.88 2kax h ASN 91 CO 0.00 0.52 0.00 0.29 -1.29 0.00 0.00 177.43 176.95