#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 1.25 0.14 2.12 2.12 -1.26 -5.07 118.70 118.01 2kax s GLU 2 Ca 0.00 -0.45 0.05 0.00 0.36 0.00 0.00 54.97 54.93 2kax s GLU 2 Cb 0.00 -1.15 -0.04 0.00 0.26 0.00 0.00 34.13 33.20 2kax s GLU 2 CO 0.00 0.20 -0.11 0.95 -0.54 0.00 0.00 175.26 175.76 2kax s THR 3 N 0.01 1.22 0.37 -1.70 -4.23 -1.26 -5.03 115.64 105.02 2kax s THR 3 Ca -0.01 -1.97 0.07 0.00 -1.18 0.00 0.00 61.69 58.59 2kax s THR 3 Cb -0.09 -1.76 0.29 0.00 1.34 0.00 0.00 72.50 72.29 2kax s THR 3 CO 0.01 -0.66 1.96 1.55 -0.54 0.00 0.00 174.62 176.94 2kax h PRO 4 N 2.97 0.70 -0.13 3.99 0.13 -2.02 0.57 132.00 138.20 2kax h PRO 4 Ca -0.37 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.59 2kax h PRO 4 Cb 1.19 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2kax h PRO 4 CO 0.60 0.46 -0.41 1.25 -0.23 0.00 0.00 178.00 179.67 2kax h LEU 5 N 0.72 0.59 -1.82 1.56 5.85 -1.98 0.20 115.31 120.43 2kax h LEU 5 Ca 0.30 -0.60 0.22 0.00 0.84 0.00 0.00 57.88 58.64 2kax h LEU 5 Cb 0.27 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 2kax h LEU 5 CO -0.10 1.09 0.59 -0.08 -0.34 0.00 0.00 178.44 179.60 2kax h GLU 6 N 0.12 0.14 0.08 1.25 4.81 -1.82 -0.27 114.58 118.89 2kax h GLU 6 Ca -0.01 -0.01 -0.25 0.00 -0.13 0.00 0.00 59.36 58.96 2kax h GLU 6 Cb 1.04 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 2kax h GLU 6 CO 0.09 0.10 -1.12 -0.22 -0.73 0.00 0.00 179.01 177.12 2kax h LYS 7 N 0.15 0.25 0.16 1.92 1.63 -0.44 -2.85 116.57 117.39 2kax h LYS 7 Ca 0.42 -0.38 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 2kax h LYS 7 Cb 1.41 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 33.17 2kax h LYS 7 CO -0.07 1.15 -0.08 0.00 -3.45 0.00 0.00 179.45 177.00 2kax h ALA 8 N 0.70 -0.22 -0.90 5.00 0.00 0.11 0.62 119.26 124.57 2kax h ALA 8 Ca -0.10 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.68 2kax h ALA 8 Cb 1.83 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.66 2kax h ALA 8 CO 0.18 -0.49 0.59 -0.07 0.00 0.00 0.00 179.25 179.46 2kax h LEU 9 N -0.48 1.01 -0.53 0.00 -0.00 -1.43 0.54 115.31 114.43 2kax h LEU 9 Ca -0.02 -0.02 0.04 0.00 -0.00 0.00 0.00 57.88 57.88 2kax h LEU 9 Cb 0.37 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 40.74 2kax h LEU 9 CO 0.04 0.72 0.28 0.74 -0.00 0.00 0.00 178.44 180.22 2kax h THR 10 N 1.19 0.98 -0.10 0.22 2.02 -1.41 0.22 112.91 116.04 2kax h THR 10 Ca 0.34 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 2kax h THR 10 Cb -0.09 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 66.70 2kax h THR 10 CO -0.09 0.10 0.05 0.74 0.37 0.00 0.00 175.52 176.69 2kax h THR 11 N 0.55 1.09 -0.24 3.16 2.02 -0.12 -0.81 112.91 118.56 2kax h THR 11 Ca 0.23 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 67.18 2kax h THR 11 Cb 0.11 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 2kax h THR 11 CO -0.15 0.08 0.04 0.24 0.37 0.00 0.00 175.52 176.11 2kax h MET 12 N 0.06 0.13 -0.12 6.66 2.07 -0.53 -0.16 114.93 123.04 2kax h MET 12 Ca 0.03 -0.01 -0.09 0.00 -2.07 0.00 0.00 59.70 57.56 2kax h MET 12 Cb 0.08 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 29.77 2kax h MET 12 CO -0.01 0.09 -0.35 -0.39 1.07 0.00 0.00 176.91 177.33 2kax h VAL 13 N 0.13 1.28 0.08 -2.22 -1.51 -0.91 0.35 116.25 113.45 2kax h VAL 13 Ca 0.11 -1.36 -0.00 0.00 -1.23 0.00 0.00 66.70 64.22 2kax h VAL 13 Cb 0.11 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 2kax h VAL 13 CO -0.14 0.41 -0.04 0.74 -1.23 0.00 0.00 177.57 177.31 2kax h THR 14 N 0.21 1.00 -0.83 7.19 2.02 -0.64 -1.20 112.91 120.66 2kax h THR 14 Ca 0.03 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 2kax h THR 14 Cb 0.72 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 2kax h THR 14 CO 0.05 0.06 0.48 0.71 0.37 0.00 0.00 175.52 177.19 2kax h THR 15 N -0.21 1.24 -0.32 3.16 1.35 -0.88 -2.79 112.91 114.46 2kax h THR 15 Ca -0.01 -0.55 -0.05 0.00 -0.55 0.00 0.00 66.41 65.24 2kax h THR 15 Cb 0.18 0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 66.68 2kax h THR 15 CO 0.02 0.26 -0.03 0.15 -0.25 0.00 0.00 175.52 175.66 2kax h PHE 16 N 1.15 0.53 0.00 4.73 3.57 -0.78 -2.93 116.94 123.20 2kax h PHE 16 Ca 0.30 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 2kax h PHE 16 Cb -0.01 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 2kax h PHE 16 CO 0.00 0.55 -0.19 1.25 -2.23 0.00 0.00 178.31 177.69 2kax h HIS 17 N 0.49 0.00 -0.39 0.41 2.76 -0.93 -0.84 115.15 116.65 2kax h HIS 17 Ca 0.10 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.29 2kax h HIS 17 Cb 0.37 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.31 2kax h HIS 17 CO 0.01 0.19 0.26 0.87 -1.30 0.00 0.00 177.93 177.96 2kax h LYS 18 N 0.00 0.43 0.00 5.26 1.57 -1.53 -2.87 116.57 119.42 2kax h LYS 18 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2kax h LYS 18 Cb 0.57 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2kax h LYS 18 CO 0.02 0.28 -1.10 0.66 -0.57 0.00 0.00 179.45 178.75 2kax n TYR 19 N -4.48 0.00 -0.02 -1.35 4.01 -0.96 -4.57 117.16 109.78 2kax n TYR 19 Ca 0.04 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.77 2kax n TYR 19 Cb 0.13 -0.08 -0.00 0.00 -0.31 0.00 0.00 39.34 39.08 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 0.00 0.00 7.72 4.64 -1.28 -3.42 113.55 121.21 2kax h SER 20 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kax h SER 20 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2kax h SER 20 CO 0.00 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 2kax n GLY 21 N 1.84 1.20 0.08 -0.77 0.00 -1.04 -0.75 105.19 105.75 2kax n GLY 21 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 0.56 0.01 -6.84 1.61 0.11 -1.81 -3.48 114.38 104.54 2kax h ARG 22 Ca 0.00 -0.02 -0.48 0.00 0.10 0.00 0.00 59.98 59.58 2kax h ARG 22 Cb 0.54 0.01 0.05 0.00 1.11 0.00 0.00 29.97 31.68 2kax h ARG 22 CO 0.00 0.56 -0.01 -1.21 0.10 0.00 0.00 179.97 179.41 2kax s GLU 23 N -2.61 2.05 0.00 0.08 0.41 0.07 -5.00 118.70 113.71 2kax s GLU 23 Ca -0.05 -1.38 -0.00 0.00 -0.41 0.00 0.00 54.97 53.13 2kax s GLU 23 Cb 0.08 -2.51 -0.02 0.00 -1.78 0.00 0.00 34.13 29.90 2kax s GLU 23 CO 0.82 -1.09 1.61 0.41 -0.49 0.00 0.00 175.26 176.52 2kax n GLY 24 N -2.49 2.02 3.51 -1.39 0.00 -1.26 -4.77 105.19 100.81 2kax n GLY 24 Ca 0.15 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 2.03 -0.63 0.00 1.61 0.15 -1.26 -5.05 113.70 110.55 2kax s SER 25 Ca 0.05 1.00 0.10 0.00 0.70 0.00 0.00 55.95 57.80 2kax s SER 25 Cb 0.03 0.97 0.03 0.00 -1.71 0.00 0.00 66.02 65.34 2kax s SER 25 CO 0.00 -0.37 0.69 0.29 1.20 0.00 0.00 173.24 175.05 2kax n LYS 26 N 2.00 1.44 -0.00 5.44 5.02 -1.26 -2.50 118.16 128.29 2kax n LYS 26 Ca -0.16 -0.79 0.01 0.00 -2.02 0.00 0.00 58.31 55.35 2kax n LYS 26 Cb 0.56 -1.12 -0.01 0.00 -0.02 0.00 0.00 35.03 34.44 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 0.06 0.08 -4.40 -0.35 4.77 -1.26 -4.85 117.00 111.06 2kax n LEU 27 Ca 0.05 -0.39 -0.20 0.00 -0.03 0.00 0.00 56.01 55.43 2kax n LEU 27 Cb 0.22 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 2kax n LEU 27 CO 0.10 0.02 -0.35 0.42 -1.33 0.00 0.00 177.39 176.24 2kax s THR 28 N -1.41 1.48 0.18 -5.08 -4.23 -1.26 -3.05 115.64 102.27 2kax s THR 28 Ca 0.00 -2.10 -0.24 0.00 -1.18 0.00 0.00 61.69 58.18 2kax s THR 28 Cb 0.02 -2.43 0.05 0.00 1.34 0.00 0.00 72.50 71.48 2kax s THR 28 CO 0.09 -0.30 0.79 -1.48 -0.54 0.00 0.00 174.62 173.18 2kax s LEU 29 N -3.41 -0.31 0.44 4.79 2.34 -0.97 -4.58 118.68 116.98 2kax s LEU 29 Ca 0.29 -0.34 -0.25 0.00 0.06 0.00 0.00 54.13 53.89 2kax s LEU 29 Cb 0.04 2.43 -0.08 0.00 -0.56 0.00 0.00 46.19 48.03 2kax s LEU 29 CO 0.11 -1.04 1.30 -0.44 -1.06 0.00 0.00 176.35 175.22 2kax s SER 30 N -2.83 6.10 0.53 1.48 0.01 -1.26 -0.44 113.70 117.28 2kax s SER 30 Ca 0.09 2.63 0.23 0.00 1.31 0.00 0.00 55.95 60.20 2kax s SER 30 Cb -0.03 -2.63 1.37 0.00 0.21 0.00 0.00 66.02 64.94 2kax s SER 30 CO -0.01 -0.99 2.05 0.03 0.41 0.00 0.00 173.24 174.73 2kax h ARG 31 N 2.36 0.00 0.23 12.44 3.08 -0.68 -1.68 114.38 130.13 2kax h ARG 31 Ca -0.50 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 2kax h ARG 31 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 2kax h ARG 31 CO 0.61 0.00 -0.11 0.87 -1.07 0.00 0.00 179.97 180.27 2kax h LYS 32 N 0.00 -0.30 -0.39 0.04 1.79 -1.12 -3.28 116.57 113.32 2kax h LYS 32 Ca 0.16 0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.59 2kax h LYS 32 Cb 0.67 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.37 2kax h LYS 32 CO -0.00 0.03 -0.02 1.49 -1.08 0.00 0.00 179.45 179.87 2kax h GLU 33 N -0.66 0.62 -0.96 3.15 4.57 -1.60 -1.87 114.58 117.83 2kax h GLU 33 Ca -0.03 -0.15 0.08 0.00 -1.18 0.00 0.00 59.36 58.07 2kax h GLU 33 Cb 0.47 -0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 28.91 2kax h GLU 33 CO 0.05 0.66 0.62 1.25 -1.18 0.00 0.00 179.01 180.41 2kax h LEU 34 N 0.59 0.96 -1.46 1.64 5.85 -1.56 -0.73 115.31 120.59 2kax h LEU 34 Ca 0.12 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.92 2kax h LEU 34 Cb 0.40 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2kax h LEU 34 CO 0.02 0.59 0.43 0.07 -0.34 0.00 0.00 178.44 179.21 2kax h LYS 35 N 1.07 0.64 0.07 1.25 2.10 -1.39 -1.77 116.57 118.54 2kax h LYS 35 Ca 0.43 -0.04 -0.11 0.00 -2.00 0.00 0.00 60.65 58.93 2kax h LYS 35 Cb 0.25 -0.14 0.01 0.00 -0.90 0.00 0.00 32.23 31.44 2kax h LYS 35 CO -0.18 0.42 -0.48 1.49 -2.00 0.00 0.00 179.45 178.71 2kax h GLU 36 N 0.66 0.16 -0.50 0.07 4.57 -1.24 -2.96 114.58 115.33 2kax h GLU 36 Ca 0.28 -0.27 0.09 0.00 -1.18 0.00 0.00 59.36 58.29 2kax h GLU 36 Cb 0.27 0.10 -0.10 0.00 -0.16 0.00 0.00 28.75 28.86 2kax h GLU 36 CO -0.09 1.13 -0.34 1.25 -1.18 0.00 0.00 179.01 179.78 2kax h LEU 37 N -0.67 -1.17 -1.58 1.64 5.85 -1.06 0.17 115.31 118.50 2kax h LEU 37 Ca -0.09 0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2kax h LEU 37 Cb 1.35 0.56 -0.01 0.00 0.37 0.00 0.00 40.66 42.93 2kax h LEU 37 CO 0.07 -0.32 0.03 0.40 -0.34 0.00 0.00 178.44 178.28 2kax h ILE 38 N -0.21 1.12 0.00 4.05 2.04 -1.39 -1.13 117.51 121.98 2kax h ILE 38 Ca 0.20 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2kax h ILE 38 Cb 0.55 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2kax h ILE 38 CO -0.62 0.15 -0.90 0.29 0.00 0.00 0.00 178.15 177.07 2kax n LYS 39 N -4.39 0.13 -0.12 2.37 5.02 -0.85 -3.57 118.16 116.75 2kax n LYS 39 Ca 0.00 -0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 56.04 2kax n LYS 39 Cb 0.16 -1.54 -0.11 0.00 -0.02 0.00 0.00 35.03 33.53 2kax n LYS 39 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kax n LYS 40 N -1.69 0.57 0.01 1.97 4.01 0.55 -4.15 118.16 119.43 2kax n LYS 40 Ca 0.03 0.47 0.14 0.00 -0.51 0.00 0.00 58.31 58.44 2kax n LYS 40 Cb 0.38 -1.66 0.54 0.00 -0.51 0.00 0.00 35.03 33.78 2kax n LYS 40 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2kax n GLU 41 N -4.37 0.03 -3.71 1.97 -0.58 -0.45 -4.54 120.64 108.99 2kax n GLU 41 Ca -0.40 0.02 -0.21 0.00 -0.42 0.00 0.00 57.16 56.16 2kax n GLU 41 Cb 0.75 -1.53 -0.18 0.00 -0.57 0.00 0.00 31.44 29.91 2kax n GLU 41 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2kax s LEU 42 N -3.16 0.33 -0.63 -4.62 0.20 -1.23 -5.08 118.68 104.48 2kax s LEU 42 Ca 0.13 0.02 -0.26 0.00 0.69 0.00 0.00 54.13 54.71 2kax s LEU 42 Cb 0.18 -0.26 -0.04 0.00 -0.43 0.00 0.00 46.19 45.65 2kax s LEU 42 CO 0.56 -0.23 2.01 0.00 -0.29 0.00 0.00 176.35 178.40 2kax n LEU 44 N 13.82 0.05 0.00 0.00 4.77 -1.26 -4.88 117.00 129.50 2kax n LEU 44 Ca 0.27 -0.33 0.07 0.00 -0.03 0.00 0.00 56.01 56.00 2kax n LEU 44 Cb 0.52 -0.00 0.44 0.00 -2.33 0.00 0.00 43.42 42.04 2kax n LEU 44 CO 0.69 0.08 0.65 0.61 -1.33 0.00 0.00 177.39 178.09 2kax n GLY 45 N -0.02 -0.51 1.48 -0.72 0.00 -1.26 -4.59 105.19 99.57 2kax n GLY 45 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.96 0.00 0.17 1.61 0.00 -1.26 -4.99 120.64 115.21 2kax n GLU 46 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.41 2kax n GLU 46 Cb 0.05 -0.06 0.44 0.00 0.00 0.00 0.00 31.44 31.88 2kax n GLU 46 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 2kax h MET 47 N 0.00 0.00 -6.36 3.44 2.86 -1.91 -3.46 114.93 109.50 2kax h MET 47 Ca 0.00 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 57.19 2kax h MET 47 Cb 0.00 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.67 2kax h MET 47 CO 0.00 0.00 -0.31 0.15 1.06 0.00 0.00 176.91 177.81 2kax s LYS 48 N -3.31 3.16 0.08 1.72 3.01 -1.26 -5.05 119.74 118.09 2kax s LYS 48 Ca 0.06 -0.89 -0.04 0.00 -1.01 0.00 0.00 55.97 54.10 2kax s LYS 48 Cb 0.09 -2.79 -0.27 0.00 -1.01 0.00 0.00 37.83 33.85 2kax s LYS 48 CO 0.54 0.06 1.15 1.05 0.51 0.00 0.00 175.35 178.67 2kax h GLU 49 N 0.85 0.26 0.00 1.68 -0.00 -1.97 -3.50 114.58 111.90 2kax h GLU 49 Ca -0.47 -0.43 0.00 0.00 -0.00 0.00 0.00 59.36 58.46 2kax h GLU 49 Cb 1.25 0.16 0.00 0.00 -0.00 0.00 0.00 28.75 30.16 2kax h GLU 49 CO 0.55 1.20 0.00 0.45 -0.00 0.00 0.00 179.01 181.21 2kax n SER 50 N -3.53 0.05 0.00 3.06 2.88 -1.26 -5.06 113.62 109.76 2kax n SER 50 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2kax n SER 50 Cb 1.01 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.47 2kax n SER 50 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2kax n SER 51 N 0.00 0.00 -0.05 -3.46 7.64 -1.26 -3.21 113.62 113.28 2kax n SER 51 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 2kax n SER 51 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 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 1.28 -0.00 0.44 6.09 -1.98 -3.33 117.51 120.01 2kax h ILE 52 Ca 0.00 -1.85 0.00 0.00 -1.37 0.00 0.00 64.86 61.64 2kax h ILE 52 Cb 0.00 1.83 0.00 0.00 0.47 0.00 0.00 36.82 39.12 2kax h ILE 52 CO 0.00 0.59 -0.09 0.47 -3.07 0.00 0.00 178.15 176.05 2kax n ASP 53 N -3.99 0.10 -0.07 2.19 9.92 -1.20 -0.53 116.55 122.97 2kax n ASP 53 Ca -0.06 0.34 -0.15 0.00 -0.53 0.00 0.00 54.79 54.38 2kax n ASP 53 Cb 0.68 -0.35 -0.05 0.00 -0.64 0.00 0.00 41.12 40.76 2kax n ASP 53 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 2kax h ASP 54 N 0.01 0.97 -0.60 -2.24 3.58 -1.85 -1.97 116.42 114.32 2kax h ASP 54 Ca 0.00 -0.55 -0.07 0.00 0.42 0.00 0.00 57.03 56.82 2kax h ASP 54 Cb 0.49 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 2kax h ASP 54 CO 0.00 1.35 0.08 -0.07 -2.88 0.00 0.00 179.24 177.72 2kax h LEU 55 N 0.63 0.97 -2.69 2.28 3.38 -1.41 0.26 115.31 118.73 2kax h LEU 55 Ca -0.00 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2kax h LEU 55 Cb 1.21 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 2kax h LEU 55 CO 0.13 0.99 -0.01 0.24 0.09 0.00 0.00 178.44 179.88 2kax h MET 56 N 0.91 0.00 0.20 1.13 2.86 -0.87 -1.46 114.93 117.69 2kax h MET 56 Ca 0.18 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.48 2kax h MET 56 Cb 0.44 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.12 2kax h MET 56 CO 0.01 0.01 -1.61 -0.22 1.06 0.00 0.00 176.91 176.16 2kax h LYS 57 N 0.00 0.42 0.02 1.72 3.11 -0.36 -3.35 116.57 118.13 2kax h LYS 57 Ca -0.00 -0.71 -0.00 0.00 -2.81 0.00 0.00 60.65 57.13 2kax h LYS 57 Cb 0.06 0.27 0.00 0.00 -1.00 0.00 0.00 32.23 31.55 2kax h LYS 57 CO 0.00 1.33 -0.01 1.03 -2.81 0.00 0.00 179.45 178.99 2kax h SER 58 N 0.11 -0.02 -0.76 4.20 0.87 0.41 -2.18 113.55 116.19 2kax h SER 58 Ca -0.29 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.13 2kax h SER 58 Cb 2.11 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 64.04 2kax h SER 58 CO 0.21 0.11 0.39 -0.07 -0.53 0.00 0.00 176.83 176.93 2kax h LEU 59 N -0.14 0.98 -0.65 2.23 3.38 -1.54 -2.81 115.31 116.77 2kax h LEU 59 Ca -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2kax h LEU 59 Cb 0.14 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2kax h LEU 59 CO 0.00 0.82 0.00 -0.67 0.09 0.00 0.00 178.44 178.68 2kax n ASP 60 N -4.33 0.67 -0.10 -0.43 2.03 -1.15 -0.81 116.55 112.44 2kax n ASP 60 Ca 0.08 0.66 -0.13 0.00 0.52 0.00 0.00 54.79 55.92 2kax n ASP 60 Cb 0.12 -0.80 -0.04 0.00 -0.72 0.00 0.00 41.12 39.68 2kax n ASP 60 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2kax h LYS 61 N 0.00 0.67 0.00 -0.67 1.57 -1.11 -3.40 116.57 113.63 2kax h LYS 61 Ca 0.00 -0.32 -0.18 0.00 -1.87 0.00 0.00 60.65 58.28 2kax h LYS 61 Cb 0.39 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 2kax h LYS 61 CO 0.00 0.92 -1.71 0.09 -0.57 0.00 0.00 179.45 178.18 2kax n ASN 62 N -4.33 2.40 0.00 0.86 4.13 -1.05 -5.00 115.26 112.26 2kax n ASN 62 Ca -0.03 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.23 2kax n ASN 62 Cb 0.42 0.81 0.00 0.00 -1.54 0.00 0.00 39.78 39.47 2kax n ASN 62 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2kax n SER 63 N -2.36 0.00 -0.51 6.41 2.88 0.01 -3.35 113.62 116.71 2kax n SER 63 Ca -0.16 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.38 2kax n SER 63 Cb 0.81 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.27 2kax n SER 63 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2kax n ASP 64 N 3.90 0.00 -4.75 -3.46 8.00 -1.26 -0.67 116.55 118.32 2kax n ASP 64 Ca 0.00 -1.58 -0.30 0.00 0.71 0.00 0.00 54.79 53.62 2kax n ASP 64 Cb 0.00 -0.11 0.11 0.00 -0.02 0.00 0.00 41.12 41.09 2kax n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kax s GLN 65 N 0.00 1.85 0.56 -1.24 -2.07 -1.21 -4.91 119.66 112.63 2kax s GLN 65 Ca 0.00 0.98 -0.15 0.00 -1.82 0.00 0.00 55.36 54.38 2kax s GLN 65 Cb 0.00 -1.86 -0.06 0.00 -1.09 0.00 0.00 33.01 30.00 2kax s GLN 65 CO -0.00 -1.88 1.01 -1.21 -1.32 0.00 0.00 175.29 171.89 2kax s GLU 66 N -4.94 3.73 -0.01 9.60 2.02 -1.26 -2.70 118.70 125.14 2kax s GLU 66 Ca 0.62 0.93 0.07 0.00 0.02 0.00 0.00 54.97 56.62 2kax s GLU 66 Cb -0.17 -2.10 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 2kax s GLU 66 CO 0.56 -0.46 -0.24 0.42 0.02 0.00 0.00 175.26 175.57 2kax s ILE 67 N -2.77 1.88 0.25 -1.63 1.01 0.41 -4.84 121.20 115.50 2kax s ILE 67 Ca 0.58 -1.05 -0.21 0.00 0.00 0.00 0.00 60.65 59.97 2kax s ILE 67 Cb -0.11 -1.57 -0.09 0.00 0.01 0.00 0.00 42.46 40.71 2kax s ILE 67 CO 0.39 0.50 0.78 -0.62 0.00 0.00 0.00 174.94 175.99 2kax s ASP 68 N -0.64 7.13 0.64 3.58 2.15 -1.26 -2.29 116.67 125.97 2kax s ASP 68 Ca 0.09 1.52 0.15 0.00 0.43 0.00 0.00 52.55 54.74 2kax s ASP 68 Cb -0.09 -2.46 0.60 0.00 -0.30 0.00 0.00 42.92 40.67 2kax s ASP 68 CO -0.01 0.01 1.26 0.15 -0.17 0.00 0.00 175.17 176.42 2kax h PHE 69 N 3.37 0.00 -0.18 -5.34 3.04 -1.96 -0.85 116.94 115.02 2kax h PHE 69 Ca -0.48 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.43 2kax h PHE 69 Cb 1.19 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.70 2kax h PHE 69 CO 0.63 0.00 -0.08 -0.22 -2.02 0.00 0.00 178.31 176.63 2kax h LYS 70 N 0.00 0.37 -0.65 1.11 1.63 -1.94 -0.36 116.57 116.73 2kax h LYS 70 Ca 0.19 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2kax h LYS 70 Cb 2.14 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 33.73 2kax h LYS 70 CO -0.00 0.66 0.41 0.93 -3.45 0.00 0.00 179.45 178.01 2kax h GLU 71 N 0.07 0.87 -0.71 1.90 5.08 -1.56 -1.73 114.58 118.50 2kax h GLU 71 Ca 0.04 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2kax h GLU 71 Cb 0.55 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2kax h GLU 71 CO 0.02 0.60 0.38 -0.92 -1.00 0.00 0.00 179.01 178.09 2kax h TYR 72 N 0.89 0.99 -0.22 4.33 3.20 -1.38 0.13 116.97 124.92 2kax h TYR 72 Ca 0.24 -0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.87 2kax h TYR 72 Cb -0.06 -0.31 0.01 0.00 1.54 0.00 0.00 36.73 37.90 2kax h TYR 72 CO -0.02 0.71 -0.67 0.66 -1.64 0.00 0.00 178.16 177.20 2kax h SER 73 N 0.98 0.95 0.39 -2.11 4.64 -0.92 -1.40 113.55 116.08 2kax h SER 73 Ca 0.25 -0.57 -0.12 0.00 -0.47 0.00 0.00 61.79 60.88 2kax h SER 73 Cb 0.06 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 2kax h SER 73 CO -0.04 1.37 -0.51 -0.37 -0.87 0.00 0.00 176.83 176.40 2kax h VAL 74 N 0.60 1.36 -0.04 0.95 -1.51 -1.08 -1.64 116.25 114.89 2kax h VAL 74 Ca -0.02 -1.77 -0.05 0.00 -1.23 0.00 0.00 66.70 63.63 2kax h VAL 74 Cb 1.28 1.89 0.00 0.00 -2.13 0.00 0.00 31.29 32.34 2kax h VAL 74 CO 0.14 0.52 -0.16 0.15 -1.23 0.00 0.00 177.57 176.99 2kax h PHE 75 N 0.11 0.23 -0.52 5.19 3.04 -0.74 0.74 116.94 125.00 2kax h PHE 75 Ca 0.00 -0.10 0.03 0.00 3.98 0.00 0.00 57.97 61.88 2kax h PHE 75 Cb 0.95 -0.04 -0.04 0.00 2.56 0.00 0.00 35.95 39.38 2kax h PHE 75 CO 0.01 0.80 0.30 -0.07 -2.02 0.00 0.00 178.31 177.33 2kax h LEU 76 N -0.40 0.47 0.41 0.59 3.38 -1.30 0.77 115.31 119.23 2kax h LEU 76 Ca -0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2kax h LEU 76 Cb 0.82 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2kax h LEU 76 CO 0.03 0.33 -0.19 0.74 0.09 0.00 0.00 178.44 179.44 2kax h THR 77 N 0.59 0.60 -0.84 0.22 2.02 -1.31 0.06 112.91 114.26 2kax h THR 77 Ca 0.21 -0.05 0.13 0.00 0.77 0.00 0.00 66.41 67.48 2kax h THR 77 Cb 0.05 0.63 -0.09 0.00 -1.74 0.00 0.00 68.15 67.00 2kax h THR 77 CO -0.11 0.01 0.44 -0.03 0.37 0.00 0.00 175.52 176.20 2kax h MET 78 N -0.57 0.64 -0.08 6.66 1.85 -0.70 -1.75 114.93 120.98 2kax h MET 78 Ca -0.06 -0.04 -0.05 0.00 -0.61 0.00 0.00 59.70 58.95 2kax h MET 78 Cb 0.43 -0.14 0.00 0.00 0.43 0.00 0.00 31.60 32.32 2kax h MET 78 CO 0.09 0.42 -0.14 1.25 -0.40 0.00 0.00 176.91 178.13 2kax h LEU 79 N 0.66 0.26 -0.99 3.39 5.85 -0.64 -2.83 115.31 121.00 2kax h LEU 79 Ca 0.45 -0.55 0.11 0.00 0.84 0.00 0.00 57.88 58.73 2kax h LEU 79 Cb 0.58 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.46 2kax h LEU 79 CO -0.34 0.76 0.62 0.00 -0.34 0.00 0.00 178.44 179.15 2kax n MET 81 N -4.62 0.46 -0.03 0.00 0.00 -0.67 -3.11 117.12 109.16 2kax n MET 81 Ca 0.18 0.05 0.12 0.00 -0.00 0.00 0.00 57.70 58.05 2kax n MET 81 Cb 0.34 -1.50 0.56 0.00 0.00 0.00 0.00 33.22 32.62 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 -1.14 2.59 -1.70 -5.12 0.00 -0.47 -4.41 120.51 110.25 2kax n ALA 82 Ca 0.12 -0.35 -0.03 0.00 0.00 0.00 0.00 53.44 53.19 2kax n ALA 82 Cb 0.11 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.22 0.00 -1.68 0.00 0.18 -1.18 -5.05 117.16 109.22 2kax n TYR 83 Ca 0.18 -0.20 -0.35 0.00 1.88 0.00 0.00 57.90 59.41 2kax n TYR 83 Cb 0.23 0.34 0.02 0.00 -0.38 0.00 0.00 39.34 39.56 2kax n TYR 83 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 2kax n ASN 84 N 0.00 7.26 0.27 9.48 6.94 -1.19 -4.61 115.26 133.42 2kax n ASN 84 Ca -0.11 -3.64 0.15 0.00 -0.02 0.00 0.00 54.58 50.95 2kax n ASN 84 Cb 0.43 -1.09 0.77 0.00 -2.36 0.00 0.00 39.78 37.53 2kax n ASN 84 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 2kax h ASP 85 N 2.77 0.00 0.00 0.53 2.03 -1.95 -3.05 116.42 116.75 2kax h ASP 85 Ca 0.52 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.82 2kax h ASP 85 Cb 0.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 2kax h ASP 85 CO 1.30 0.09 0.48 -0.26 -1.03 0.00 0.00 179.24 179.82 2kax h PHE 86 N 0.00 0.00 0.00 4.15 -1.00 -2.01 -1.45 116.94 116.62 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 0.34 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.90 2kax h PHE 86 CO 0.00 0.00 -0.04 1.19 -1.61 0.00 0.00 178.31 177.85 2kax n PHE 87 N -2.14 0.00 -4.24 -0.55 3.72 -1.15 -5.07 117.46 108.02 2kax n PHE 87 Ca -0.01 -0.71 -0.19 0.00 -0.05 0.00 0.00 57.45 56.49 2kax n PHE 87 Cb 0.50 -0.10 -0.12 0.00 -0.94 0.00 0.00 39.48 38.82 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 -1.90 2.36 0.00 4.37 1.43 -0.55 -5.02 118.68 119.37 2kax s LEU 88 Ca 0.18 -0.75 0.10 0.00 -1.03 0.00 0.00 54.13 52.62 2kax s LEU 88 Cb 0.15 -0.61 -0.01 0.00 0.03 0.00 0.00 46.19 45.75 2kax s LEU 88 CO 0.02 -0.09 0.61 -0.62 0.23 0.00 0.00 176.35 176.50 2kax n GLU 89 N 0.77 2.17 0.00 1.70 1.02 -1.26 -4.89 120.64 120.15 2kax n GLU 89 Ca -0.17 -0.57 0.00 0.00 -0.02 0.00 0.00 57.16 56.40 2kax n GLU 89 Cb 0.56 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 2kax n GLU 89 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2kax n ASP 90 N -0.30 0.00 -2.16 1.62 5.75 -1.26 -5.06 116.55 115.14 2kax n ASP 90 Ca 0.04 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 54.66 2kax n ASP 90 Cb 0.20 0.07 -0.02 0.00 -1.03 0.00 0.00 41.12 40.34 2kax n ASP 90 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2kax n ASN 91 N -2.06 -4.63 -0.72 -1.12 3.02 -1.26 -5.28 115.26 103.21 2kax n ASN 91 Ca 0.00 0.18 0.13 0.00 -0.03 0.00 0.00 54.58 54.86 2kax n ASN 91 Cb 0.00 -3.97 0.31 0.00 -0.61 0.00 0.00 39.78 35.51 2kax n ASN 91 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93