#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kax s GLU 2 N 0.00 4.37 -0.03 0.03 2.12 -1.26 -5.07 118.70 118.87 2kax s GLU 2 Ca 0.00 2.00 0.03 0.00 0.36 0.00 0.00 54.97 57.36 2kax s GLU 2 Cb 0.00 -3.25 -0.03 0.00 0.26 0.00 0.00 34.13 31.11 2kax s GLU 2 CO 0.00 -0.32 -0.10 0.95 -0.54 0.00 0.00 175.26 175.24 2kax s THR 3 N 0.70 3.38 0.19 -1.70 -4.23 -1.26 -5.03 115.64 107.70 2kax s THR 3 Ca 0.60 -0.73 0.25 0.00 -1.18 0.00 0.00 61.69 60.64 2kax s THR 3 Cb -0.35 -2.40 0.25 0.00 1.34 0.00 0.00 72.50 71.34 2kax s THR 3 CO 0.33 0.50 1.88 1.55 -0.54 0.00 0.00 174.62 178.34 2kax h PRO 4 N 4.97 0.00 -0.11 3.99 0.13 -1.98 -1.28 132.00 137.72 2kax h PRO 4 Ca -0.48 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.44 2kax h PRO 4 Cb 1.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.30 2kax h PRO 4 CO 0.52 0.19 -0.79 1.25 -0.23 0.00 0.00 178.00 178.94 2kax h LEU 5 N 0.00 0.78 -1.67 1.56 6.46 -1.99 -0.03 115.31 120.42 2kax h LEU 5 Ca -0.00 -0.52 -0.04 0.00 -0.12 0.00 0.00 57.88 57.19 2kax h LEU 5 Cb 0.66 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 2kax h LEU 5 CO 0.03 1.31 -0.19 1.05 -0.62 0.00 0.00 178.44 180.01 2kax h GLU 6 N 0.43 0.00 -0.05 1.25 -0.00 -1.93 -1.97 114.58 112.31 2kax h GLU 6 Ca -0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 59.22 2kax h GLU 6 Cb 1.41 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.15 2kax h GLU 6 CO 0.15 0.19 -0.38 0.87 -0.00 0.00 0.00 179.01 179.84 2kax h LYS 7 N 0.00 0.11 -0.39 1.06 1.79 -0.81 0.12 116.57 118.46 2kax h LYS 7 Ca -0.00 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.40 2kax h LYS 7 Cb 0.37 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 2kax h LYS 7 CO 0.02 0.48 0.14 0.00 -1.08 0.00 0.00 179.45 179.01 2kax h ALA 8 N 1.52 0.50 -0.73 3.86 0.00 -0.26 0.11 119.26 124.26 2kax h ALA 8 Ca 0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2kax h ALA 8 Cb 0.72 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2kax h ALA 8 CO 0.05 0.12 0.45 -0.07 0.00 0.00 0.00 179.25 179.80 2kax h LEU 9 N 0.48 0.87 -0.89 0.00 -0.00 -1.10 -1.56 115.31 113.10 2kax h LEU 9 Ca 0.13 -0.06 0.05 0.00 -0.00 0.00 0.00 57.88 58.00 2kax h LEU 9 Cb 0.21 -0.22 -0.06 0.00 -0.00 0.00 0.00 40.66 40.59 2kax h LEU 9 CO -0.01 0.67 0.57 0.74 -0.00 0.00 0.00 178.44 180.41 2kax h THR 10 N 0.99 1.11 -0.63 0.22 2.02 -0.28 0.23 112.91 116.57 2kax h THR 10 Ca 0.26 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 2kax h THR 10 Cb -0.05 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.28 2kax h THR 10 CO -0.05 0.20 0.08 0.71 0.37 0.00 0.00 175.52 176.83 2kax h THR 11 N 1.08 1.26 0.35 3.16 1.35 -0.57 -0.84 112.91 118.70 2kax h THR 11 Ca 0.37 -1.05 -0.02 0.00 -0.55 0.00 0.00 66.41 65.16 2kax h THR 11 Cb 0.07 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 67.20 2kax h THR 11 CO -0.14 0.39 -0.17 0.24 -0.25 0.00 0.00 175.52 175.59 2kax h MET 12 N 0.97 -0.45 -0.49 4.72 2.07 -0.24 -1.48 114.93 120.03 2kax h MET 12 Ca 0.19 0.03 -0.05 0.00 -2.07 0.00 0.00 59.70 57.80 2kax h MET 12 Cb 0.46 0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 30.27 2kax h MET 12 CO 0.02 -0.30 0.11 -0.39 1.07 0.00 0.00 176.91 177.42 2kax h VAL 13 N -0.47 1.21 -0.51 -2.22 -1.51 -0.98 -0.83 116.25 110.94 2kax h VAL 13 Ca -0.05 -0.77 -0.11 0.00 -1.23 0.00 0.00 66.70 64.54 2kax h VAL 13 Cb 0.36 0.71 -0.02 0.00 -2.13 0.00 0.00 31.29 30.22 2kax h VAL 13 CO 0.08 0.28 -0.13 0.74 -1.23 0.00 0.00 177.57 177.32 2kax h THR 14 N 0.73 1.27 -0.18 7.19 2.02 -1.02 0.54 112.91 123.44 2kax h THR 14 Ca 0.16 -1.27 -0.17 0.00 0.77 0.00 0.00 66.41 65.91 2kax h THR 14 Cb 0.28 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2kax h THR 14 CO -0.00 0.44 -0.53 0.71 0.37 0.00 0.00 175.52 176.51 2kax h THR 15 N 0.86 1.32 -0.60 3.16 1.35 -1.10 -3.27 112.91 114.63 2kax h THR 15 Ca 0.13 -1.76 -0.03 0.00 -0.55 0.00 0.00 66.41 64.20 2kax h THR 15 Cb 0.68 1.92 -0.03 0.00 -1.73 0.00 0.00 68.15 68.99 2kax h THR 15 CO 0.05 0.55 0.25 0.15 -0.25 0.00 0.00 175.52 176.27 2kax h PHE 16 N 0.38 0.90 -0.75 4.73 3.04 -1.07 -3.19 116.94 120.98 2kax h PHE 16 Ca -0.01 -0.06 0.15 0.00 3.98 0.00 0.00 57.97 62.02 2kax h PHE 16 Cb 1.15 -0.27 -0.05 0.00 2.56 0.00 0.00 35.95 39.34 2kax h PHE 16 CO 0.09 0.72 0.50 1.25 -2.02 0.00 0.00 178.31 178.85 2kax h HIS 17 N 0.83 0.48 -0.11 0.41 2.76 -0.93 -0.59 115.15 117.99 2kax h HIS 17 Ca 0.20 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.42 2kax h HIS 17 Cb 0.19 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 28.99 2kax h HIS 17 CO 0.01 0.18 0.13 0.87 -1.30 0.00 0.00 177.93 177.82 2kax h LYS 18 N 0.41 0.00 0.00 5.26 1.57 -1.62 -0.30 116.57 121.88 2kax h LYS 18 Ca 0.37 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.10 2kax h LYS 18 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 2kax h LYS 18 CO -0.12 0.00 -1.28 0.66 -0.57 0.00 0.00 179.45 178.14 2kax n TYR 19 N -3.77 0.00 -0.03 -1.35 4.01 -0.30 -4.05 117.16 111.67 2kax n TYR 19 Ca -0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 2kax n TYR 19 Cb 0.23 -0.18 -0.08 0.00 -0.31 0.00 0.00 39.34 39.01 2kax n TYR 19 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2kax h SER 20 N 0.00 -0.04 0.00 7.72 4.64 -1.41 -3.35 113.55 121.11 2kax h SER 20 Ca -0.08 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 2kax h SER 20 Cb 0.90 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2kax h SER 20 CO 0.00 0.69 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 2kax n GLY 21 N 1.42 -0.48 0.27 -0.77 0.00 -0.13 -1.23 105.19 104.27 2kax n GLY 21 Ca -0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.71 0.00 1.61 2.43 -1.70 -3.47 114.38 113.95 2kax h ARG 22 Ca 0.00 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2kax h ARG 22 Cb 0.00 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2kax h ARG 22 CO 0.00 0.80 0.00 0.39 -1.51 0.00 0.00 179.97 179.65 2kax n GLU 23 N -4.17 0.00 -0.38 0.20 1.02 -0.37 -5.07 120.64 111.87 2kax n GLU 23 Ca 0.01 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.22 2kax n GLU 23 Cb 0.36 0.00 0.24 0.00 -0.02 0.00 0.00 31.44 32.02 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 1.25 1.75 3.41 0.62 0.00 -1.25 -4.94 105.19 106.04 2kax n GLY 24 Ca 0.00 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.83 -0.55 -0.17 1.61 0.15 -1.25 -5.06 113.70 107.61 2kax s SER 25 Ca 0.35 -0.02 0.17 0.00 0.70 0.00 0.00 55.95 57.15 2kax s SER 25 Cb 0.21 0.59 -0.24 0.00 -1.71 0.00 0.00 66.02 64.87 2kax s SER 25 CO 0.18 -0.96 0.11 0.29 1.20 0.00 0.00 173.24 174.06 2kax n LYS 26 N -0.37 0.89 0.00 5.44 5.02 -1.26 -1.65 118.16 126.23 2kax n LYS 26 Ca -0.17 -0.03 0.02 0.00 -2.02 0.00 0.00 58.31 56.11 2kax n LYS 26 Cb 0.65 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 34.16 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 -2.64 0.26 -4.57 -0.35 4.77 -1.26 -4.45 117.00 108.76 2kax n LEU 27 Ca -0.28 -0.54 -0.24 0.00 -0.03 0.00 0.00 56.01 54.92 2kax n LEU 27 Cb 1.05 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 42.06 2kax n LEU 27 CO 0.40 0.06 -0.39 0.42 -1.33 0.00 0.00 177.39 176.55 2kax s THR 28 N -1.23 2.94 0.21 -5.08 -4.23 -1.26 -1.27 115.64 105.72 2kax s THR 28 Ca 0.02 -2.14 -0.21 0.00 -1.18 0.00 0.00 61.69 58.18 2kax s THR 28 Cb 0.03 -2.60 0.04 0.00 1.34 0.00 0.00 72.50 71.30 2kax s THR 28 CO 0.13 -0.37 0.63 -1.48 -0.54 0.00 0.00 174.62 173.00 2kax s LEU 29 N -3.61 -0.33 0.32 4.79 2.34 -0.68 -4.62 118.68 116.89 2kax s LEU 29 Ca 0.31 -0.33 -0.28 0.00 0.06 0.00 0.00 54.13 53.90 2kax s LEU 29 Cb -0.05 2.57 -0.09 0.00 -0.56 0.00 0.00 46.19 48.06 2kax s LEU 29 CO 0.18 -1.13 1.14 -0.55 -1.06 0.00 0.00 176.35 174.92 2kax s SER 30 N -2.84 6.99 0.44 1.48 0.15 -1.26 -0.89 113.70 117.76 2kax s SER 30 Ca 0.06 2.32 0.22 0.00 0.70 0.00 0.00 55.95 59.26 2kax s SER 30 Cb -0.03 -2.62 1.20 0.00 -1.71 0.00 0.00 66.02 62.86 2kax s SER 30 CO -0.03 -0.34 1.80 -0.09 1.20 0.00 0.00 173.24 175.78 2kax h ARG 31 N 3.37 0.29 -0.20 5.44 2.43 -1.08 0.98 114.38 125.62 2kax h ARG 31 Ca -0.48 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 58.62 2kax h ARG 31 Cb 1.22 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 2kax h ARG 31 CO 0.65 0.19 -0.15 -0.22 -1.51 0.00 0.00 179.97 178.94 2kax h LYS 32 N 0.30 0.33 -0.32 0.20 3.11 -1.57 -2.34 116.57 116.27 2kax h LYS 32 Ca 0.55 -0.09 -0.14 0.00 -2.81 0.00 0.00 60.65 58.16 2kax h LYS 32 Cb 1.58 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.76 2kax h LYS 32 CO -0.20 0.48 -0.37 0.93 -2.81 0.00 0.00 179.45 177.47 2kax h GLU 33 N 0.30 0.76 -0.57 1.90 3.07 -1.09 -2.18 114.58 116.77 2kax h GLU 33 Ca 0.06 -0.38 0.01 0.00 -0.50 0.00 0.00 59.36 58.54 2kax h GLU 33 Cb 0.45 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.33 2kax h GLU 33 CO 0.03 1.00 0.38 1.25 -1.40 0.00 0.00 179.01 180.27 2kax h LEU 34 N 0.63 0.65 -1.87 1.33 5.85 -1.41 -0.49 115.31 119.99 2kax h LEU 34 Ca 0.06 -0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.90 2kax h LEU 34 Cb 0.92 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 2kax h LEU 34 CO 0.08 0.47 0.40 0.50 -0.34 0.00 0.00 178.44 179.55 2kax h LYS 35 N 0.77 0.13 0.00 1.25 3.64 -1.05 -2.47 116.57 118.84 2kax h LYS 35 Ca 0.21 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2kax h LYS 35 Cb -0.08 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2kax h LYS 35 CO -0.05 0.09 -0.00 1.49 -2.27 0.00 0.00 179.45 178.71 2kax h GLU 36 N 0.13 -0.00 -0.83 1.90 4.81 -0.80 -3.37 114.58 116.43 2kax h GLU 36 Ca 0.27 0.00 0.21 0.00 -0.13 0.00 0.00 59.36 59.71 2kax h GLU 36 Cb 0.90 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.14 2kax h GLU 36 CO -0.04 0.91 0.14 1.25 -0.73 0.00 0.00 179.01 180.55 2kax h LEU 37 N -0.96 -0.14 -1.62 1.64 5.85 -0.72 -0.70 115.31 118.66 2kax h LEU 37 Ca -0.00 0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 2kax h LEU 37 Cb 0.92 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 2kax h LEU 37 CO 0.00 -0.16 -0.20 0.40 -0.34 0.00 0.00 178.44 178.14 2kax h ILE 38 N 0.17 0.81 -0.36 4.05 2.04 -1.62 0.54 117.51 123.15 2kax h ILE 38 Ca 0.49 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2kax h ILE 38 Cb 0.94 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2kax h ILE 38 CO -0.65 0.20 0.00 0.29 0.00 0.00 0.00 178.15 177.99 2kax n LYS 39 N -3.82 2.51 -0.03 2.37 4.01 -0.37 -3.71 118.16 119.13 2kax n LYS 39 Ca -0.02 -2.28 -0.08 0.00 -0.51 0.00 0.00 58.31 55.42 2kax n LYS 39 Cb 0.30 -1.52 -0.03 0.00 -0.51 0.00 0.00 35.03 33.28 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 1.50 0.18 0.00 1.97 4.76 -0.61 -4.72 118.16 121.24 2kax n LYS 40 Ca 0.19 0.08 0.13 0.00 -2.87 0.00 0.00 58.31 55.83 2kax n LYS 40 Cb 0.61 -0.80 0.31 0.00 -1.84 0.00 0.00 35.03 33.31 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 -3.48 0.85 -4.13 1.97 -0.58 0.11 -4.91 120.64 110.47 2kax n GLU 41 Ca -0.14 -0.54 -0.13 0.00 -0.42 0.00 0.00 57.16 55.93 2kax n GLU 41 Cb 0.52 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 29.84 2kax n GLU 41 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2kax s LEU 42 N -2.52 0.99 0.13 -4.62 1.43 -1.24 -5.04 118.68 107.80 2kax s LEU 42 Ca 0.23 -1.36 -0.22 0.00 -1.03 0.00 0.00 54.13 51.74 2kax s LEU 42 Cb 0.19 1.09 0.06 0.00 0.03 0.00 0.00 46.19 47.56 2kax s LEU 42 CO 0.54 -1.09 0.57 0.00 0.23 0.00 0.00 176.35 176.60 2kax n LEU 44 N -0.18 0.00 -3.16 0.00 4.77 -1.26 -4.93 117.00 112.24 2kax n LEU 44 Ca -0.17 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.54 2kax n LEU 44 Cb 0.64 0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.73 2kax n LEU 44 CO 0.14 -0.03 2.64 0.61 -1.33 0.00 0.00 177.39 179.42 2kax n GLY 45 N -1.27 3.44 0.00 -0.72 0.00 -1.26 -0.80 105.19 104.58 2kax n GLY 45 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 3.91 0.00 -0.01 1.61 0.28 -1.26 -4.91 120.64 120.26 2kax n GLU 46 Ca 0.55 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 57.33 2kax n GLU 46 Cb 0.19 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 32.93 2kax n GLU 46 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 2kax h MET 47 N 0.00 0.22 -6.15 3.44 2.86 -1.59 -3.47 114.93 110.24 2kax h MET 47 Ca 0.00 -0.38 -0.59 0.00 -2.06 0.00 0.00 59.70 56.67 2kax h MET 47 Cb 0.00 0.14 -0.07 0.00 0.06 0.00 0.00 31.60 31.73 2kax h MET 47 CO 0.00 1.18 -0.56 0.15 1.06 0.00 0.00 176.91 178.74 2kax s LYS 48 N -2.52 3.00 0.00 1.72 3.01 0.02 -5.14 119.74 119.84 2kax s LYS 48 Ca -0.23 -0.75 0.00 0.00 -1.01 0.00 0.00 55.97 53.98 2kax s LYS 48 Cb 0.06 -2.74 0.00 0.00 -1.01 0.00 0.00 37.83 34.14 2kax s LYS 48 CO 0.74 0.52 0.00 -1.91 0.51 0.00 0.00 175.35 175.21 2kax n GLU 49 N -0.07 0.00 -0.79 1.68 0.00 -1.26 -4.11 120.64 116.09 2kax n GLU 49 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 56.88 2kax n GLU 49 Cb 0.53 0.00 0.16 0.00 0.00 0.00 0.00 31.44 32.13 2kax n GLU 49 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2kax n SER 50 N 0.00 -1.40 0.00 4.31 2.88 -1.26 -4.34 113.62 113.81 2kax n SER 50 Ca 0.00 -1.01 0.00 0.00 -1.33 0.00 0.00 58.87 56.53 2kax n SER 50 Cb 0.00 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 62.80 2kax n SER 50 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2kax n SER 51 N -4.11 0.00 0.04 -3.46 3.41 -1.26 -4.79 113.62 103.45 2kax n SER 51 Ca 0.10 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.55 2kax n SER 51 Cb 0.39 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.19 2kax n SER 51 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 2kax h ILE 52 N 0.00 1.00 -0.01 -1.33 -0.00 -1.88 -3.37 117.51 111.93 2kax h ILE 52 Ca 0.00 -2.70 0.00 0.00 -0.00 0.00 0.00 64.86 62.16 2kax h ILE 52 Cb 0.00 2.64 0.00 0.00 -0.00 0.00 0.00 36.82 39.46 2kax h ILE 52 CO 0.00 0.77 -0.62 -0.67 -0.00 0.00 0.00 178.15 177.64 2kax n ASP 53 N -3.38 1.19 -0.07 2.16 -0.08 -1.26 -2.40 116.55 112.71 2kax n ASP 53 Ca -0.19 -0.97 -0.11 0.00 -1.51 0.00 0.00 54.79 52.00 2kax n ASP 53 Cb 1.04 0.54 -0.04 0.00 2.34 0.00 0.00 41.12 45.00 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 0.91 0.36 -0.67 1.67 3.58 -1.96 0.44 116.42 120.76 2kax h ASP 54 Ca 0.00 -0.26 -0.05 0.00 0.42 0.00 0.00 57.03 57.15 2kax h ASP 54 Cb 0.57 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.50 2kax h ASP 54 CO 0.00 0.53 0.24 -0.07 -2.88 0.00 0.00 179.24 177.06 2kax h LEU 55 N 0.19 0.95 -1.02 2.28 3.38 -1.71 0.26 115.31 119.64 2kax h LEU 55 Ca 0.07 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2kax h LEU 55 Cb 0.32 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 2kax h LEU 55 CO 0.00 0.88 0.64 0.24 0.09 0.00 0.00 178.44 180.29 2kax h MET 56 N 0.96 1.30 -0.14 1.13 2.86 -1.45 0.29 114.93 119.88 2kax h MET 56 Ca 0.22 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.70 2kax h MET 56 Cb 0.25 -0.29 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 2kax h MET 56 CO -0.01 0.87 -0.24 0.87 1.06 0.00 0.00 176.91 179.45 2kax h LYS 57 N 1.33 0.25 0.00 1.72 1.79 -0.30 0.52 116.57 121.88 2kax h LYS 57 Ca 0.36 -0.08 -0.06 0.00 -2.18 0.00 0.00 60.65 58.69 2kax h LYS 57 Cb -0.14 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.48 2kax h LYS 57 CO -0.08 0.48 -0.28 1.03 -1.08 0.00 0.00 179.45 179.53 2kax h SER 58 N 0.23 0.00 0.06 0.86 0.87 0.33 -2.01 113.55 113.88 2kax h SER 58 Ca 0.04 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2kax h SER 58 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2kax h SER 58 CO 0.04 0.28 -0.03 -0.07 -0.53 0.00 0.00 176.83 176.52 2kax h LEU 59 N 0.00 -0.07 -0.97 2.23 3.38 -0.49 -3.37 115.31 116.03 2kax h LEU 59 Ca -0.00 -0.56 0.32 0.00 0.09 0.00 0.00 57.88 57.72 2kax h LEU 59 Cb 0.76 0.02 -0.16 0.00 0.09 0.00 0.00 40.66 41.36 2kax h LEU 59 CO 0.04 0.58 0.35 -0.78 0.09 0.00 0.00 178.44 178.72 2kax h ASP 60 N -0.78 0.10 -0.51 -0.43 3.58 -0.75 -0.66 116.42 116.97 2kax h ASP 60 Ca -0.01 0.23 0.21 0.00 0.42 0.00 0.00 57.03 57.88 2kax h ASP 60 Cb 0.63 0.29 -0.09 0.00 1.72 0.00 0.00 39.33 41.88 2kax h ASP 60 CO 0.01 -0.28 0.28 1.17 -2.88 0.00 0.00 179.24 177.55 2kax n LYS 61 N -5.26 -0.03 -2.59 0.28 3.00 -0.77 -2.65 118.16 110.14 2kax n LYS 61 Ca 0.29 0.66 -0.01 0.00 -0.00 0.00 0.00 58.31 59.25 2kax n LYS 61 Cb 0.95 -1.21 0.07 0.00 0.00 0.00 0.00 35.03 34.84 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 -4.04 0.26 0.00 3.14 4.13 -0.26 -5.01 115.26 113.48 2kax n ASN 62 Ca 0.19 -2.09 0.00 0.00 1.68 0.00 0.00 54.58 54.35 2kax n ASN 62 Cb 0.64 0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.89 2kax n ASN 62 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2kax n SER 63 N -0.86 0.00 -0.05 6.41 7.64 -1.09 -1.88 113.62 123.79 2kax n SER 63 Ca -0.04 0.08 -0.06 0.00 1.01 0.00 0.00 58.87 59.86 2kax n SER 63 Cb 0.85 -0.08 -0.06 0.00 -1.01 0.00 0.00 64.21 63.91 2kax n SER 63 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2kax n ASP 64 N -0.92 2.92 -4.76 6.43 5.75 -1.26 -1.55 116.55 123.16 2kax n ASP 64 Ca 0.00 -0.03 -0.38 0.00 -0.01 0.00 0.00 54.79 54.38 2kax n ASP 64 Cb 0.20 0.32 0.01 0.00 -1.03 0.00 0.00 41.12 40.62 2kax n ASP 64 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2kax s GLN 65 N -2.22 3.60 0.36 0.11 -1.52 -0.79 -4.57 119.66 114.63 2kax s GLN 65 Ca -0.09 1.96 -0.25 0.00 -1.95 0.00 0.00 55.36 55.02 2kax s GLN 65 Cb 0.03 -2.41 -0.09 0.00 -0.22 0.00 0.00 33.01 30.32 2kax s GLN 65 CO 0.32 -0.73 1.04 -1.21 -0.25 0.00 0.00 175.29 174.46 2kax s GLU 66 N -2.70 4.32 0.02 2.91 2.02 -1.26 -0.72 118.70 123.30 2kax s GLU 66 Ca 0.65 1.53 0.06 0.00 0.02 0.00 0.00 54.97 57.24 2kax s GLU 66 Cb -0.33 -2.71 -0.02 0.00 0.10 0.00 0.00 34.13 31.17 2kax s GLU 66 CO 0.40 -0.00 -0.19 0.96 0.02 0.00 0.00 175.26 176.45 2kax s ILE 67 N -1.56 1.48 0.61 -1.63 -4.36 -0.07 -4.89 121.20 110.79 2kax s ILE 67 Ca 0.54 -0.97 -0.16 0.00 -0.26 0.00 0.00 60.65 59.79 2kax s ILE 67 Cb -0.23 -1.27 -0.02 0.00 1.25 0.00 0.00 42.46 42.18 2kax s ILE 67 CO 0.29 0.27 1.10 -0.62 0.24 0.00 0.00 174.94 176.23 2kax s ASP 68 N -0.81 5.44 0.64 4.36 2.15 -1.26 -1.69 116.67 125.49 2kax s ASP 68 Ca 0.06 2.00 0.19 0.00 0.43 0.00 0.00 52.55 55.24 2kax s ASP 68 Cb -0.08 -2.55 0.97 0.00 -0.30 0.00 0.00 42.92 40.95 2kax s ASP 68 CO 0.01 -1.41 1.52 0.15 -0.17 0.00 0.00 175.17 175.27 2kax h PHE 69 N 0.45 0.00 0.09 -5.34 3.57 -1.57 -1.15 116.94 112.99 2kax h PHE 69 Ca -0.48 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 60.76 2kax h PHE 69 Cb 1.24 0.00 0.03 0.00 2.79 0.00 0.00 35.95 40.01 2kax h PHE 69 CO 0.55 0.00 -1.07 -0.22 -2.23 0.00 0.00 178.31 175.33 2kax h LYS 70 N 0.00 0.58 -0.74 1.11 3.64 -1.92 0.04 116.57 119.27 2kax h LYS 70 Ca 0.10 -0.73 -0.01 0.00 -1.27 0.00 0.00 60.65 58.74 2kax h LYS 70 Cb 1.51 0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 33.53 2kax h LYS 70 CO -0.00 1.32 0.43 0.93 -2.27 0.00 0.00 179.45 179.86 2kax h GLU 71 N 0.17 1.02 -0.01 1.90 4.39 -1.59 0.52 114.58 120.98 2kax h GLU 71 Ca -0.16 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.44 2kax h GLU 71 Cb 1.76 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 30.20 2kax h GLU 71 CO 0.21 0.73 0.00 -0.92 -1.16 0.00 0.00 179.01 177.87 2kax h TYR 72 N 1.03 0.02 -0.92 4.33 3.20 -1.56 -1.30 116.97 121.78 2kax h TYR 72 Ca 0.27 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.15 2kax h TYR 72 Cb -0.01 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.21 2kax h TYR 72 CO 0.01 0.24 0.61 0.66 -1.64 0.00 0.00 178.16 178.03 2kax h SER 73 N -0.20 1.05 0.74 -2.11 4.64 -0.08 0.58 113.55 118.18 2kax h SER 73 Ca 0.00 -0.03 -0.15 0.00 -0.47 0.00 0.00 61.79 61.15 2kax h SER 73 Cb 0.23 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 2kax h SER 73 CO 0.00 0.76 -0.71 -0.37 -0.87 0.00 0.00 176.83 175.64 2kax h VAL 74 N 1.24 1.49 -0.05 0.95 -1.51 -1.00 -2.35 116.25 115.01 2kax h VAL 74 Ca 0.34 -2.45 -0.01 0.00 -1.23 0.00 0.00 66.70 63.35 2kax h VAL 74 Cb -0.13 2.33 -0.00 0.00 -2.13 0.00 0.00 31.29 31.36 2kax h VAL 74 CO -0.08 0.70 -0.01 0.15 -1.23 0.00 0.00 177.57 177.10 2kax h PHE 75 N 0.00 0.11 -0.87 5.19 3.04 -0.48 0.14 116.94 124.07 2kax h PHE 75 Ca -0.01 -0.02 0.11 0.00 3.98 0.00 0.00 57.97 62.04 2kax h PHE 75 Cb 1.27 -0.03 -0.08 0.00 2.56 0.00 0.00 35.95 39.68 2kax h PHE 75 CO 0.00 0.40 0.50 -0.07 -2.02 0.00 0.00 178.31 177.12 2kax h LEU 76 N -0.22 0.69 -0.13 0.59 3.38 -0.96 0.14 115.31 118.80 2kax h LEU 76 Ca 0.01 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2kax h LEU 76 Cb 0.36 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2kax h LEU 76 CO 0.00 0.36 -0.12 0.74 0.09 0.00 0.00 178.44 179.52 2kax h THR 77 N 0.79 1.35 -0.93 0.22 2.02 -1.35 0.10 112.91 115.10 2kax h THR 77 Ca 0.43 -1.26 0.04 0.00 0.77 0.00 0.00 66.41 66.40 2kax h THR 77 Cb 0.47 1.89 -0.05 0.00 -1.74 0.00 0.00 68.15 68.71 2kax h THR 77 CO -0.28 0.36 0.61 -0.03 0.37 0.00 0.00 175.52 176.55 2kax h MET 78 N -0.08 1.12 -0.25 6.66 1.85 -0.37 -2.26 114.93 121.59 2kax h MET 78 Ca 0.02 -0.07 -0.20 0.00 -0.61 0.00 0.00 59.70 58.85 2kax h MET 78 Cb 0.63 -0.25 0.00 0.00 0.43 0.00 0.00 31.60 32.41 2kax h MET 78 CO 0.03 0.74 -0.61 1.25 -0.40 0.00 0.00 176.91 177.92 2kax h LEU 79 N 1.15 0.98 -0.62 3.39 5.85 -0.65 -2.95 115.31 122.45 2kax h LEU 79 Ca 0.37 -0.56 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 2kax h LEU 79 Cb 0.04 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 2kax h LEU 79 CO -0.12 1.36 0.37 0.00 -0.34 0.00 0.00 178.44 179.71 2kax n MET 81 N -4.59 0.32 0.00 0.00 0.00 -0.87 -1.36 117.12 110.62 2kax n MET 81 Ca 0.05 0.09 0.16 0.00 0.00 0.00 0.00 57.70 58.00 2kax n MET 81 Cb 0.06 -1.50 0.88 0.00 0.00 0.00 0.00 33.22 32.67 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 -1.21 2.67 -0.62 3.17 0.00 -0.49 -4.55 120.51 119.47 2kax n ALA 82 Ca 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2kax n ALA 82 Cb 0.12 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 -0.87 0.00 -0.48 0.00 0.18 -1.15 -4.81 117.16 110.03 2kax n TYR 83 Ca 0.23 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.90 2kax n TYR 83 Cb 0.15 0.01 0.04 0.00 -0.38 0.00 0.00 39.34 39.16 2kax n TYR 83 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 2kax n ASN 84 N 0.00 5.28 0.00 9.48 3.02 -0.47 -4.12 115.26 128.46 2kax n ASN 84 Ca 0.00 -2.78 0.05 0.00 -0.03 0.00 0.00 54.58 51.81 2kax n ASN 84 Cb 0.05 -0.94 0.22 0.00 -0.61 0.00 0.00 39.78 38.50 2kax n ASN 84 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2kax n ASP 85 N 0.45 0.00 0.18 6.41 5.75 -1.26 -3.03 116.55 125.04 2kax n ASP 85 Ca 0.21 0.32 0.09 0.00 -0.01 0.00 0.00 54.79 55.41 2kax n ASP 85 Cb 0.66 -0.39 0.47 0.00 -1.03 0.00 0.00 41.12 40.83 2kax n ASP 85 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 2kax h PHE 86 N 0.00 0.00 -0.02 2.11 0.04 -2.00 -1.72 116.94 115.35 2kax h PHE 86 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2kax h PHE 86 Cb 0.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.27 2kax h PHE 86 CO 0.00 0.00 -0.32 1.19 -0.60 0.00 0.00 178.31 178.58 2kax n PHE 87 N -2.18 0.00 -3.19 -0.55 3.01 -1.17 -5.03 117.46 108.35 2kax n PHE 87 Ca -0.01 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.32 2kax n PHE 87 Cb 0.23 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.73 2kax n PHE 87 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2kax n LEU 88 N 0.43 0.00 -0.14 4.37 7.99 -0.65 -5.02 117.00 123.98 2kax n LEU 88 Ca 0.11 -1.54 0.09 0.00 -0.01 0.00 0.00 56.01 54.65 2kax n LEU 88 Cb 0.51 -0.20 0.45 0.00 -0.11 0.00 0.00 43.42 44.07 2kax n LEU 88 CO 0.24 -0.59 0.80 -0.62 -1.51 0.00 0.00 177.39 175.71 2kax n GLU 89 N -1.64 1.19 0.00 3.23 4.71 -0.68 -4.87 120.64 122.57 2kax n GLU 89 Ca 0.07 -0.28 0.00 0.00 -0.01 0.00 0.00 57.16 56.94 2kax n GLU 89 Cb 0.36 -1.28 0.00 0.00 -1.01 0.00 0.00 31.44 29.51 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 -0.48 0.00 -0.16 1.62 2.03 -1.26 -4.24 116.55 114.06 2kax n ASP 90 Ca 0.13 0.00 0.29 0.00 0.52 0.00 0.00 54.79 55.73 2kax n ASP 90 Cb 0.12 -0.01 0.71 0.00 -0.72 0.00 0.00 41.12 41.23 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 0.00 0.00 1.67 -1.24 -1.98 -3.53 115.58 110.50 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 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2kax h ASN 91 CO 0.00 0.00 0.00 0.29 -1.29 0.00 0.00 177.43 176.43