#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 3.27 -0.77 2.12 4.71 -1.26 -4.95 120.64 123.76 2kax n GLU 2 Ca 0.00 -3.47 -0.32 0.00 -0.01 0.00 0.00 57.16 53.36 2kax n GLU 2 Cb 0.00 -3.27 0.15 0.00 -1.01 0.00 0.00 31.44 27.30 2kax n GLU 2 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2kax n THR 3 N 5.43 0.23 0.01 2.62 -2.24 -1.26 -4.77 114.28 114.31 2kax n THR 3 Ca 0.44 -0.10 0.03 0.00 -2.27 0.00 0.00 64.05 62.16 2kax n THR 3 Cb 0.44 -0.88 0.40 0.00 -2.10 0.00 0.00 70.33 68.19 2kax n THR 3 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2kax h PRO 4 N -1.65 0.51 -0.06 -0.78 0.13 -2.00 -1.61 132.00 126.54 2kax h PRO 4 Ca -0.43 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 2kax h PRO 4 Cb 1.28 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kax h PRO 4 CO 0.39 0.39 -0.09 1.25 -0.23 0.00 0.00 178.00 179.70 2kax h LEU 5 N 0.52 0.18 -1.90 1.56 7.12 -1.99 -3.15 115.31 117.65 2kax h LEU 5 Ca 0.13 -0.54 0.22 0.00 0.13 0.00 0.00 57.88 57.82 2kax h LEU 5 Cb 0.03 -0.05 -0.04 0.00 -0.53 0.00 0.00 40.66 40.07 2kax h LEU 5 CO -0.02 0.69 0.57 -0.08 -0.13 0.00 0.00 178.44 179.46 2kax h GLU 6 N -0.32 0.09 0.00 1.25 4.81 -1.78 0.31 114.58 118.94 2kax h GLU 6 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kax h GLU 6 Cb 0.65 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.01 2kax h GLU 6 CO 0.02 0.06 -0.39 0.36 -0.73 0.00 0.00 179.01 178.33 2kax n LYS 7 N -4.35 0.21 -0.08 1.92 -0.00 -0.65 -2.13 118.16 113.08 2kax n LYS 7 Ca 0.16 0.10 -0.20 0.00 -0.00 0.00 0.00 58.31 58.37 2kax n LYS 7 Cb 0.81 -1.67 -0.12 0.00 -0.00 0.00 0.00 35.03 34.05 2kax n LYS 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kax n ALA 8 N -1.74 1.20 -0.34 0.58 0.00 0.82 -2.03 120.51 119.01 2kax n ALA 8 Ca 0.05 -0.90 0.12 0.00 0.00 0.00 0.00 53.44 52.70 2kax n ALA 8 Cb 0.41 -0.30 0.32 0.00 0.00 0.00 0.00 19.45 19.88 2kax n ALA 8 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2kax h LEU 9 N -0.11 0.79 -0.44 0.00 -0.00 -0.93 -0.73 115.31 113.89 2kax h LEU 9 Ca -0.53 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.43 2kax h LEU 9 Cb 1.89 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 42.46 2kax h LEU 9 CO -0.07 0.33 0.28 0.74 -0.00 0.00 0.00 178.44 179.72 2kax h THR 10 N 0.80 1.12 -0.63 0.22 2.02 -1.49 -2.03 112.91 112.93 2kax h THR 10 Ca 0.54 -0.26 0.07 0.00 0.77 0.00 0.00 66.41 67.53 2kax h THR 10 Cb 0.80 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 67.67 2kax h THR 10 CO -0.32 0.12 0.32 0.74 0.37 0.00 0.00 175.52 176.75 2kax h THR 11 N 0.58 0.92 -0.03 3.16 2.02 -0.72 -0.45 112.91 118.39 2kax h THR 11 Ca 0.16 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2kax h THR 11 Cb -0.04 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 66.65 2kax h THR 11 CO -0.03 0.11 0.02 -0.03 0.37 0.00 0.00 175.52 175.96 2kax h MET 12 N 0.59 0.05 -0.22 6.66 -1.53 -0.70 -1.39 114.93 118.39 2kax h MET 12 Ca 0.29 -0.00 -0.15 0.00 -3.44 0.00 0.00 59.70 56.40 2kax h MET 12 Cb 0.23 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.26 2kax h MET 12 CO -0.21 0.03 -0.47 -0.39 0.14 0.00 0.00 176.91 176.02 2kax h VAL 13 N 0.04 1.31 -0.56 -5.77 -1.51 -1.19 -2.89 116.25 105.68 2kax h VAL 13 Ca 0.01 -1.68 -0.06 0.00 -1.23 0.00 0.00 66.70 63.74 2kax h VAL 13 Cb -0.00 1.65 -0.02 0.00 -2.13 0.00 0.00 31.29 30.78 2kax h VAL 13 CO -0.00 0.53 0.10 0.74 -1.23 0.00 0.00 177.57 177.70 2kax h THR 14 N 0.46 1.25 -0.71 7.19 2.02 -0.98 -1.15 112.91 120.99 2kax h THR 14 Ca 0.03 -0.95 -0.06 0.00 0.77 0.00 0.00 66.41 66.20 2kax h THR 14 Cb 1.00 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 2kax h THR 14 CO 0.09 0.35 0.23 0.74 0.37 0.00 0.00 175.52 177.30 2kax h THR 15 N 0.82 1.25 -0.27 3.16 2.02 -1.21 -0.58 112.91 118.09 2kax h THR 15 Ca 0.17 -0.87 -0.07 0.00 0.77 0.00 0.00 66.41 66.40 2kax h THR 15 Cb 0.40 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2kax h THR 15 CO 0.01 0.34 -0.11 0.15 0.37 0.00 0.00 175.52 176.28 2kax h PHE 16 N 1.05 0.64 -0.02 3.16 3.04 -1.40 -3.20 116.94 120.22 2kax h PHE 16 Ca 0.23 -0.15 -0.03 0.00 3.98 0.00 0.00 57.97 62.00 2kax h PHE 16 Cb 0.29 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 38.64 2kax h PHE 16 CO 0.02 0.80 -0.11 0.45 -2.02 0.00 0.00 178.31 177.45 2kax h HIS 17 N 0.30 0.03 0.00 0.41 3.86 -0.87 -1.30 115.15 117.58 2kax h HIS 17 Ca 0.06 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2kax h HIS 17 Cb 0.62 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.08 2kax h HIS 17 CO 0.06 0.14 0.00 -0.22 0.86 0.00 0.00 177.93 178.77 2kax h LYS 18 N 0.03 0.00 0.00 2.45 3.64 -1.10 0.21 116.57 121.80 2kax h LYS 18 Ca 0.00 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.14 2kax h LYS 18 Cb 0.21 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 2kax h LYS 18 CO 0.01 0.00 -1.91 0.66 -2.27 0.00 0.00 179.45 175.94 2kax n TYR 19 N -2.99 0.00 0.06 1.91 4.02 -0.55 -4.53 117.16 115.07 2kax n TYR 19 Ca -0.03 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.73 2kax n TYR 19 Cb 0.08 -0.63 -0.04 0.00 -0.02 0.00 0.00 39.34 38.73 2kax n TYR 19 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2kax h SER 20 N 0.00 0.56 0.00 7.72 4.64 -1.41 -3.29 113.55 121.78 2kax h SER 20 Ca -0.36 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 60.52 2kax h SER 20 Cb 1.62 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 2kax h SER 20 CO -0.04 1.23 0.00 0.61 -0.87 0.00 0.00 176.83 177.76 2kax n GLY 21 N 0.91 -0.42 0.25 -0.77 0.00 0.06 -1.54 105.19 103.68 2kax n GLY 21 Ca -0.07 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 2kax n GLY 21 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2kax h ARG 22 N 0.00 0.68 0.00 1.61 3.08 -1.79 -3.48 114.38 114.48 2kax h ARG 22 Ca 0.00 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2kax h ARG 22 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2kax h ARG 22 CO 0.00 0.86 0.00 0.39 -1.07 0.00 0.00 179.97 180.15 2kax n GLU 23 N -4.11 0.00 -4.02 0.04 1.02 -0.59 -5.18 120.64 107.79 2kax n GLU 23 Ca -0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 2kax n GLU 23 Cb 0.43 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.81 2kax n GLU 23 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2kax s GLY 24 N 0.00 2.42 -1.03 0.62 0.00 -1.25 -4.90 107.32 103.18 2kax s GLY 24 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.27 2kax s GLY 24 CO 0.00 -1.94 0.00 1.44 0.00 0.00 0.00 173.10 172.60 2kax n SER 25 N -1.53 -4.97 0.21 1.64 7.64 -1.26 -4.75 113.62 110.59 2kax n SER 25 Ca -0.03 0.24 0.06 0.00 1.01 0.00 0.00 58.87 60.15 2kax n SER 25 Cb 0.64 -3.32 0.34 0.00 -1.01 0.00 0.00 64.21 60.86 2kax n SER 25 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2kax h LYS 26 N 0.10 0.00 0.00 1.43 3.11 -1.90 -0.45 116.57 118.86 2kax h LYS 26 Ca -0.20 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.64 2kax h LYS 26 Cb 0.90 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.13 2kax h LYS 26 CO 0.29 0.00 0.00 1.28 -2.81 0.00 0.00 179.45 178.21 2kax n LEU 27 N -2.17 0.00 -4.77 5.20 4.77 -1.26 -4.65 117.00 114.12 2kax n LEU 27 Ca -0.01 0.48 -0.29 0.00 -0.03 0.00 0.00 56.01 56.16 2kax n LEU 27 Cb 0.46 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 2kax n LEU 27 CO 0.06 -0.04 -0.16 0.42 -1.33 0.00 0.00 177.39 176.34 2kax s THR 28 N -2.96 1.67 0.00 -5.08 -4.23 -0.18 -3.59 115.64 101.28 2kax s THR 28 Ca 0.14 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 2kax s THR 28 Cb 0.18 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.55 2kax s THR 28 CO 0.48 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.56 2kax n LEU 29 N -1.35 0.00 -4.94 4.79 -0.00 -0.56 -4.70 117.00 110.25 2kax n LEU 29 Ca -0.09 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.68 2kax n LEU 29 Cb 0.66 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 44.06 2kax n LEU 29 CO 0.42 0.00 0.17 -0.94 -0.00 0.00 0.00 177.39 177.04 2kax s SER 30 N -0.17 6.31 0.36 1.45 1.04 -1.26 -0.20 113.70 121.24 2kax s SER 30 Ca 0.00 0.48 0.09 0.00 0.48 0.00 0.00 55.95 57.00 2kax s SER 30 Cb 0.00 -2.04 0.83 0.00 0.10 0.00 0.00 66.02 64.91 2kax s SER 30 CO 0.00 -0.27 1.89 0.03 0.98 0.00 0.00 173.24 175.86 2kax h ARG 31 N 0.90 0.65 -0.58 4.02 2.47 -1.07 -1.94 114.38 118.84 2kax h ARG 31 Ca -0.49 -0.04 -0.11 0.00 -1.26 0.00 0.00 59.98 58.08 2kax h ARG 31 Cb 1.21 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 29.37 2kax h ARG 31 CO 0.62 0.43 -0.05 -0.22 0.56 0.00 0.00 179.97 181.31 2kax h LYS 32 N 0.67 1.06 -0.05 0.04 3.64 -1.36 -1.50 116.57 119.07 2kax h LYS 32 Ca 0.42 -0.36 -0.20 0.00 -1.27 0.00 0.00 60.65 59.24 2kax h LYS 32 Cb 0.67 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2kax h LYS 32 CO -0.18 1.06 -0.82 1.49 -2.27 0.00 0.00 179.45 178.73 2kax h GLU 33 N 0.95 0.44 -0.11 1.90 4.57 -1.73 -2.25 114.58 118.36 2kax h GLU 33 Ca 0.16 -0.41 0.04 0.00 -1.18 0.00 0.00 59.36 57.98 2kax h GLU 33 Cb 0.61 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.25 2kax h GLU 33 CO 0.04 1.05 -0.23 1.25 -1.18 0.00 0.00 179.01 179.94 2kax h LEU 34 N 0.28 -0.72 -0.63 1.64 5.85 -1.28 -0.55 115.31 119.89 2kax h LEU 34 Ca -0.05 0.11 0.12 0.00 0.84 0.00 0.00 57.88 58.90 2kax h LEU 34 Cb 1.42 0.32 -0.09 0.00 0.37 0.00 0.00 40.66 42.68 2kax h LEU 34 CO 0.14 -0.29 0.16 0.50 -0.34 0.00 0.00 178.44 178.62 2kax h LYS 35 N -0.31 0.28 -0.15 1.25 3.64 -1.20 -2.50 116.57 117.59 2kax h LYS 35 Ca 0.10 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.31 2kax h LYS 35 Cb 0.45 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2kax h LYS 35 CO -0.29 0.19 -0.53 1.49 -2.27 0.00 0.00 179.45 178.04 2kax h GLU 36 N 0.29 0.41 -0.92 1.90 4.57 -0.89 -2.76 114.58 117.18 2kax h GLU 36 Ca 0.34 -0.25 0.06 0.00 -1.18 0.00 0.00 59.36 58.32 2kax h GLU 36 Cb 0.50 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.06 2kax h GLU 36 CO -0.41 0.84 0.60 -0.07 -1.18 0.00 0.00 179.01 178.79 2kax h LEU 37 N 0.32 0.95 -2.59 1.64 3.38 -0.66 0.26 115.31 118.61 2kax h LEU 37 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2kax h LEU 37 Cb 1.03 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2kax h LEU 37 CO 0.09 0.62 -0.01 0.40 0.09 0.00 0.00 178.44 179.63 2kax h ILE 38 N 1.09 0.13 0.00 1.22 1.08 -1.34 -0.42 117.51 119.27 2kax h ILE 38 Ca 0.39 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.73 2kax h ILE 38 Cb 0.14 1.11 0.00 0.00 -3.07 0.00 0.00 36.82 35.00 2kax h ILE 38 CO -0.14 0.01 -1.67 0.29 -0.69 0.00 0.00 178.15 175.96 2kax n LYS 39 N -3.25 0.47 0.04 2.37 4.76 -0.47 -3.98 118.16 118.10 2kax n LYS 39 Ca -0.02 -0.13 -0.05 0.00 -2.87 0.00 0.00 58.31 55.23 2kax n LYS 39 Cb 0.12 -1.35 -0.03 0.00 -1.84 0.00 0.00 35.03 31.93 2kax n LYS 39 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2kax h LYS 40 N 0.00 -0.21 0.00 1.97 1.79 -0.17 -3.43 116.57 116.52 2kax h LYS 40 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2kax h LYS 40 Cb 0.68 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 2kax h LYS 40 CO 0.00 -0.03 0.00 0.39 -1.08 0.00 0.00 179.45 178.73 2kax n GLU 41 N -4.91 1.61 -3.84 3.15 1.02 -0.22 -4.74 120.64 112.71 2kax n GLU 41 Ca -0.04 -0.17 -0.28 0.00 -0.02 0.00 0.00 57.16 56.65 2kax n GLU 41 Cb 0.14 -0.58 -0.03 0.00 -0.02 0.00 0.00 31.44 30.94 2kax n GLU 41 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kax s LEU 42 N -0.56 4.30 0.00 -4.62 1.43 -0.86 -5.02 118.68 113.35 2kax s LEU 42 Ca 0.00 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 2kax s LEU 42 Cb 0.00 -3.03 0.00 0.00 0.03 0.00 0.00 46.19 43.19 2kax s LEU 42 CO 0.00 0.05 0.00 0.00 0.23 0.00 0.00 176.35 176.63 2kax n LEU 44 N 0.00 0.00 -0.40 0.00 -0.00 -1.26 -5.07 117.00 110.27 2kax n LEU 44 Ca 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 2kax n LEU 44 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2kax n LEU 44 CO 0.00 0.24 0.00 0.61 -0.00 0.00 0.00 177.39 178.24 2kax n GLY 45 N 0.00 -0.57 3.03 1.47 0.00 -1.26 -4.93 105.19 102.94 2kax n GLY 45 Ca 0.00 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 2kax n GLY 45 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kax n GLU 46 N 1.57 1.21 0.00 1.61 0.00 -1.26 -4.76 120.64 119.01 2kax n GLU 46 Ca 0.00 -1.44 0.05 0.00 0.00 0.00 0.00 57.16 55.76 2kax n GLU 46 Cb 0.00 -2.62 0.23 0.00 0.00 0.00 0.00 31.44 29.04 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 6.24 0.08 -4.53 3.44 2.81 -1.26 -4.73 117.12 119.17 2kax n MET 47 Ca 0.42 0.25 -0.30 0.00 -1.81 0.00 0.00 57.70 56.26 2kax n MET 47 Cb 0.29 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.18 2kax n MET 47 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2kax s LYS 48 N -2.75 1.92 0.00 0.03 -0.14 -1.26 -5.06 119.74 112.48 2kax s LYS 48 Ca 0.07 -1.08 0.00 0.00 -1.36 0.00 0.00 55.97 53.60 2kax s LYS 48 Cb 0.06 -2.14 0.00 0.00 -1.68 0.00 0.00 37.83 34.08 2kax s LYS 48 CO 0.16 0.51 0.00 -0.85 -0.76 0.00 0.00 175.35 174.41 2kax n GLU 49 N 1.26 0.00 -1.72 1.68 -0.00 -1.26 -4.84 120.64 115.76 2kax n GLU 49 Ca -0.16 0.00 -0.39 0.00 -0.00 0.00 0.00 57.16 56.61 2kax n GLU 49 Cb 0.52 -0.27 0.03 0.00 -0.00 0.00 0.00 31.44 31.73 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 -2.17 2.45 0.00 -1.84 2.88 -1.26 -0.96 113.62 112.72 2kax n SER 50 Ca 0.00 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 2kax n SER 50 Cb 0.00 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 61.92 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 -0.62 0.00 -0.15 -3.46 7.64 -1.26 -4.46 113.62 111.31 2kax n SER 51 Ca 0.10 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.95 2kax n SER 51 Cb 0.43 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.83 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 1.22 0.24 0.44 2.10 -1.89 -2.05 117.51 117.57 2kax h ILE 52 Ca 0.00 -0.75 0.01 0.00 1.08 0.00 0.00 64.86 65.20 2kax h ILE 52 Cb 0.00 0.58 -0.04 0.00 -1.09 0.00 0.00 36.82 36.27 2kax h ILE 52 CO 0.00 0.29 -0.46 -0.78 -1.08 0.00 0.00 178.15 176.12 2kax h ASP 53 N 0.85 -1.31 -0.47 2.19 3.58 -1.27 0.11 116.42 120.08 2kax h ASP 53 Ca 0.19 0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.76 2kax h ASP 53 Cb 0.23 0.47 -0.02 0.00 1.72 0.00 0.00 39.33 41.74 2kax h ASP 53 CO -0.01 -0.55 0.23 -0.78 -2.88 0.00 0.00 179.24 175.25 2kax h ASP 54 N -0.77 0.62 -0.53 2.28 1.82 -1.84 0.15 116.42 118.15 2kax h ASP 54 Ca -0.01 -0.13 0.01 0.00 -0.39 0.00 0.00 57.03 56.51 2kax h ASP 54 Cb 0.74 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.57 2kax h ASP 54 CO -0.19 0.57 0.34 -0.07 -1.61 0.00 0.00 179.24 178.29 2kax h LEU 55 N 0.62 0.58 -1.01 2.28 3.38 -1.19 0.61 115.31 120.59 2kax h LEU 55 Ca 0.16 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 2kax h LEU 55 Cb 0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2kax h LEU 55 CO -0.02 0.42 -0.10 0.24 0.09 0.00 0.00 178.44 179.06 2kax h MET 56 N 0.69 0.60 0.00 1.13 2.86 -0.67 -0.36 114.93 119.18 2kax h MET 56 Ca 0.20 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2kax h MET 56 Cb -0.05 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.55 2kax h MET 56 CO -0.06 0.69 -0.02 0.87 1.06 0.00 0.00 176.91 179.46 2kax h LYS 57 N 0.55 0.00 0.00 1.72 1.79 0.63 -2.46 116.57 118.81 2kax h LYS 57 Ca 0.10 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.34 2kax h LYS 57 Cb 0.51 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.12 2kax h LYS 57 CO 0.03 0.02 -1.50 0.77 -1.08 0.00 0.00 179.45 177.68 2kax h SER 58 N 0.00 0.00 0.17 0.86 0.02 0.64 -2.09 113.55 113.15 2kax h SER 58 Ca -0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 2kax h SER 58 Cb 0.56 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 2kax h SER 58 CO 0.00 0.80 -0.35 -0.07 -1.14 0.00 0.00 176.83 176.07 2kax h LEU 59 N 0.00 0.28 -1.29 5.07 3.38 -1.06 -3.15 115.31 118.54 2kax h LEU 59 Ca -0.21 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 2kax h LEU 59 Cb 1.80 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 2kax h LEU 59 CO 0.07 0.62 -0.36 -0.78 0.09 0.00 0.00 178.44 178.08 2kax h ASP 60 N 0.23 0.00 -0.02 -0.43 3.58 -1.37 -3.31 116.42 115.11 2kax h ASP 60 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2kax h ASP 60 Cb 0.74 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.79 2kax h ASP 60 CO 0.06 0.36 0.02 0.50 -2.88 0.00 0.00 179.24 177.29 2kax h LYS 61 N 0.00 0.00 0.00 0.28 1.63 -1.33 -3.28 116.57 113.87 2kax h LYS 61 Ca -0.00 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.62 2kax h LYS 61 Cb 0.64 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.14 2kax h LYS 61 CO 0.05 0.00 -0.20 0.27 -3.45 0.00 0.00 179.45 176.12 2kax n ASN 62 N -3.73 -1.80 0.02 4.20 6.94 -1.26 -5.09 115.26 114.53 2kax n ASN 62 Ca -0.03 -2.77 0.10 0.00 -0.02 0.00 0.00 54.58 51.87 2kax n ASN 62 Cb 0.10 1.50 0.43 0.00 -2.36 0.00 0.00 39.78 39.46 2kax n ASN 62 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 2kax n SER 63 N 0.28 0.10 -0.26 0.53 2.88 -1.24 -3.11 113.62 112.80 2kax n SER 63 Ca -0.01 0.52 0.03 0.00 -1.33 0.00 0.00 58.87 58.08 2kax n SER 63 Cb 0.73 -0.54 0.03 0.00 -0.75 0.00 0.00 64.21 63.68 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 -1.60 1.54 -4.74 -3.46 8.00 -1.26 -1.11 116.55 113.92 2kax n ASP 64 Ca 0.05 -1.27 -0.37 0.00 0.71 0.00 0.00 54.79 53.91 2kax n ASP 64 Cb 0.24 -0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.39 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 -0.54 2.86 0.67 -1.24 -0.21 -1.18 -4.85 119.66 115.17 2kax s GLN 65 Ca 0.08 1.98 -0.11 0.00 0.02 0.00 0.00 55.36 57.32 2kax s GLN 65 Cb 0.05 -1.96 -0.01 0.00 1.00 0.00 0.00 33.01 32.09 2kax s GLN 65 CO 0.08 -1.33 1.05 -1.21 -2.12 0.00 0.00 175.29 171.76 2kax s GLU 66 N -3.26 3.19 -0.00 2.91 2.02 -1.26 -2.44 118.70 119.86 2kax s GLU 66 Ca 0.78 0.83 -0.08 0.00 0.02 0.00 0.00 54.97 56.52 2kax s GLU 66 Cb -0.35 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 31.86 2kax s GLU 66 CO 0.38 -0.88 0.16 0.96 0.02 0.00 0.00 175.26 175.90 2kax s ILE 67 N -3.12 0.08 0.52 -1.63 -4.36 0.72 -4.83 121.20 108.57 2kax s ILE 67 Ca 0.57 -0.62 -0.06 0.00 -0.26 0.00 0.00 60.65 60.27 2kax s ILE 67 Cb -0.13 -0.44 -0.03 0.00 1.25 0.00 0.00 42.46 43.11 2kax s ILE 67 CO 0.54 -0.34 0.84 1.51 0.24 0.00 0.00 174.94 177.73 2kax s ASP 68 N -1.29 6.12 0.65 4.36 -4.77 -1.26 -1.49 116.67 118.99 2kax s ASP 68 Ca -0.14 0.95 0.26 0.00 -3.30 0.00 0.00 52.55 50.32 2kax s ASP 68 Cb -0.07 -2.16 1.41 0.00 -1.09 0.00 0.00 42.92 41.00 2kax s ASP 68 CO 0.02 -0.72 1.80 0.15 0.70 0.00 0.00 175.17 177.12 2kax h PHE 69 N 0.07 0.00 -0.53 2.11 3.57 -1.96 -0.31 116.94 119.89 2kax h PHE 69 Ca -0.46 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.07 2kax h PHE 69 Cb 1.21 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.91 2kax h PHE 69 CO 0.57 0.00 0.29 -0.22 -2.23 0.00 0.00 178.31 176.72 2kax h LYS 70 N 0.00 0.56 0.00 1.11 3.11 -1.94 0.12 116.57 119.53 2kax h LYS 70 Ca 0.04 -0.03 -0.11 0.00 -2.81 0.00 0.00 60.65 57.74 2kax h LYS 70 Cb 0.93 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 32.02 2kax h LYS 70 CO -0.00 0.37 -0.52 0.93 -2.81 0.00 0.00 179.45 177.42 2kax h GLU 71 N 0.58 0.00 -0.01 1.90 4.39 -1.43 0.36 114.58 120.37 2kax h GLU 71 Ca 0.22 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 2kax h GLU 71 Cb 0.08 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2kax h GLU 71 CO -0.13 0.52 -0.01 -0.92 -1.16 0.00 0.00 179.01 177.31 2kax h TYR 72 N 0.00 0.03 -0.55 4.33 3.20 -1.60 -3.10 116.97 119.27 2kax h TYR 72 Ca -0.01 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 2kax h TYR 72 Cb 0.97 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 2kax h TYR 72 CO 0.00 0.53 0.20 0.66 -1.64 0.00 0.00 178.16 177.91 2kax h SER 73 N -0.48 0.78 0.02 -2.11 4.64 -0.28 -1.34 113.55 114.78 2kax h SER 73 Ca 0.00 -0.18 -0.08 0.00 -0.47 0.00 0.00 61.79 61.05 2kax h SER 73 Cb 0.52 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2kax h SER 73 CO 0.00 0.75 -0.24 -0.37 -0.87 0.00 0.00 176.83 176.10 2kax h VAL 74 N 0.76 1.25 -0.11 0.95 -1.51 -1.11 -1.49 116.25 114.99 2kax h VAL 74 Ca 0.18 -1.18 -0.11 0.00 -1.23 0.00 0.00 66.70 64.36 2kax h VAL 74 Cb 0.23 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 2kax h VAL 74 CO -0.01 0.37 -0.37 0.15 -1.23 0.00 0.00 177.57 176.47 2kax h PHE 75 N 0.33 0.59 -0.59 5.19 3.04 -1.39 0.55 116.94 124.65 2kax h PHE 75 Ca 0.05 -0.24 0.02 0.00 3.98 0.00 0.00 57.97 61.78 2kax h PHE 75 Cb 0.61 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.98 2kax h PHE 75 CO 0.01 0.98 0.37 -0.07 -2.02 0.00 0.00 178.31 177.59 2kax h LEU 76 N 0.02 0.62 0.26 0.59 3.38 -1.25 -0.77 115.31 118.17 2kax h LEU 76 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2kax h LEU 76 Cb 1.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2kax h LEU 76 CO 0.08 0.44 -0.29 0.74 0.09 0.00 0.00 178.44 179.50 2kax h THR 77 N 0.75 0.39 -0.53 0.22 2.02 -1.25 -2.50 112.91 112.01 2kax h THR 77 Ca 0.23 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.39 2kax h THR 77 Cb -0.02 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 2kax h THR 77 CO -0.08 0.00 0.24 -0.03 0.37 0.00 0.00 175.52 176.02 2kax h MET 78 N -0.59 0.75 0.00 6.66 1.85 -0.52 -0.25 114.93 122.82 2kax h MET 78 Ca -0.00 -0.09 -0.08 0.00 -0.61 0.00 0.00 59.70 58.91 2kax h MET 78 Cb 0.55 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.43 2kax h MET 78 CO -0.07 0.59 -0.39 -0.07 -0.40 0.00 0.00 176.91 176.57 2kax h LEU 79 N 0.75 0.00 -0.03 3.39 4.07 -1.14 0.06 115.31 122.41 2kax h LEU 79 Ca 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.13 2kax h LEU 79 Cb 0.10 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.84 2kax h LEU 79 CO -0.02 0.39 -0.03 0.00 -1.08 0.00 0.00 178.44 177.70 2kax h MET 81 N -0.38 0.04 0.00 0.00 2.86 -0.96 0.13 114.93 116.61 2kax h MET 81 Ca 0.01 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2kax h MET 81 Cb 0.51 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2kax h MET 81 CO 0.01 0.02 0.00 0.00 1.06 0.00 0.00 176.91 178.00 2kax n ALA 82 N -2.58 1.10 -1.47 6.32 0.00 -0.00 -4.15 120.51 119.73 2kax n ALA 82 Ca 0.03 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2kax n ALA 82 Cb 0.30 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.21 0.00 0.21 0.00 0.18 -0.71 -5.02 117.16 109.61 2kax n TYR 83 Ca -0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.77 2kax n TYR 83 Cb 0.05 0.18 0.00 0.00 -0.38 0.00 0.00 39.34 39.19 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 2.66 -0.44 9.48 6.94 0.37 -4.13 115.26 130.14 2kax n ASN 84 Ca 0.00 -1.59 0.13 0.00 -0.02 0.00 0.00 54.58 53.10 2kax n ASN 84 Cb 0.28 -0.51 0.50 0.00 -2.36 0.00 0.00 39.78 37.69 2kax n ASN 84 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2kax n ASP 85 N 1.13 1.36 0.00 0.53 8.00 -1.26 -3.13 116.55 123.18 2kax n ASP 85 Ca 0.00 -1.54 0.03 0.00 0.71 0.00 0.00 54.79 54.00 2kax n ASP 85 Cb 0.33 -0.04 0.20 0.00 -0.02 0.00 0.00 41.12 41.59 2kax n ASP 85 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2kax n PHE 86 N 0.09 0.00 0.41 1.24 3.01 -1.26 -1.44 117.46 119.51 2kax n PHE 86 Ca 0.18 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.69 2kax n PHE 86 Cb 0.31 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.81 2kax n PHE 86 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2kax n PHE 87 N -0.99 0.00 -4.02 1.38 3.72 -1.18 -5.08 117.46 111.29 2kax n PHE 87 Ca 0.05 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.22 2kax n PHE 87 Cb 0.02 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.51 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 -0.93 3.30 -0.11 4.37 2.01 -0.52 -5.06 118.68 121.75 2kax s LEU 88 Ca 0.11 -0.76 0.19 0.00 0.01 0.00 0.00 54.13 53.68 2kax s LEU 88 Cb 0.08 -1.80 -0.28 0.00 0.01 0.00 0.00 46.19 44.20 2kax s LEU 88 CO 0.14 -0.35 0.26 -0.62 1.01 0.00 0.00 176.35 176.78 2kax n GLU 89 N -1.22 0.76 -0.22 1.70 4.71 -1.26 -5.03 120.64 120.07 2kax n GLU 89 Ca -0.02 -0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.03 2kax n GLU 89 Cb 0.61 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.56 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 -2.46 0.00 -3.10 1.62 -0.08 -1.26 -5.09 116.55 106.18 2kax n ASP 90 Ca -0.17 -0.22 -0.34 0.00 -1.51 0.00 0.00 54.79 52.54 2kax n ASP 90 Cb 0.83 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.24 2kax n ASP 90 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2kax n ASN 91 N -0.21 7.96 0.00 1.67 5.15 -1.26 -5.06 115.26 123.51 2kax n ASN 91 Ca 0.00 -2.72 0.00 0.00 -0.60 0.00 0.00 54.58 51.26 2kax n ASN 91 Cb 0.00 -1.48 0.00 0.00 -0.53 0.00 0.00 39.78 37.77 2kax n ASN 91 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95