#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kax n GLU 2 N 0.00 0.25 -3.61 0.03 4.71 -1.26 -5.07 120.64 115.69 2kax n GLU 2 Ca 0.00 0.10 -0.16 0.00 -0.01 0.00 0.00 57.16 57.09 2kax n GLU 2 Cb 0.00 -0.93 -0.07 0.00 -1.01 0.00 0.00 31.44 29.43 2kax n GLU 2 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2kax s THR 3 N -2.39 0.02 0.00 2.62 -4.23 -1.26 -5.10 115.64 105.30 2kax s THR 3 Ca -0.14 -0.15 -0.15 0.00 -1.18 0.00 0.00 61.69 60.07 2kax s THR 3 Cb 0.02 -0.86 -0.34 0.00 1.34 0.00 0.00 72.50 72.66 2kax s THR 3 CO 0.21 -0.08 0.90 1.55 -0.54 0.00 0.00 174.62 176.65 2kax h PRO 4 N 3.51 0.49 -0.35 3.99 0.13 -2.02 -3.30 132.00 134.45 2kax h PRO 4 Ca -0.28 -0.83 -0.02 0.00 -0.87 0.00 0.00 66.00 64.00 2kax h PRO 4 Cb 1.15 0.31 -0.02 0.00 0.13 0.00 0.00 31.00 32.58 2kax h PRO 4 CO 0.36 1.40 0.15 1.25 -0.23 0.00 0.00 178.00 180.93 2kax h LEU 5 N 0.09 0.44 -1.89 1.56 5.85 -2.02 -0.89 115.31 118.45 2kax h LEU 5 Ca -0.27 -0.04 0.14 0.00 0.84 0.00 0.00 57.88 58.54 2kax h LEU 5 Cb 2.11 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 43.00 2kax h LEU 5 CO 0.24 0.40 0.38 -0.08 -0.34 0.00 0.00 178.44 179.04 2kax h GLU 6 N 0.50 0.11 0.00 1.25 4.57 -2.00 -1.09 114.58 117.92 2kax h GLU 6 Ca 0.12 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2kax h GLU 6 Cb 0.09 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2kax h GLU 6 CO -0.01 0.07 0.00 0.87 -1.18 0.00 0.00 179.01 178.76 2kax h LYS 7 N 0.12 0.00 -0.07 1.92 1.79 -1.28 0.32 116.57 119.37 2kax h LYS 7 Ca 0.26 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.68 2kax h LYS 7 Cb 0.86 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 2kax h LYS 7 CO -0.03 0.00 -0.15 0.00 -1.08 0.00 0.00 179.45 178.19 2kax h ALA 8 N 2.26 0.11 0.45 3.86 0.00 -1.31 -3.14 119.26 121.49 2kax h ALA 8 Ca 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2kax h ALA 8 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2kax h ALA 8 CO 0.00 0.02 -0.22 -0.07 0.00 0.00 0.00 179.25 178.98 2kax h LEU 9 N -0.26 -0.51 -0.75 0.00 -0.00 -0.95 -0.50 115.31 112.33 2kax h LEU 9 Ca 0.00 -0.09 0.16 0.00 -0.00 0.00 0.00 57.88 57.95 2kax h LEU 9 Cb 0.74 0.13 -0.14 0.00 -0.00 0.00 0.00 40.66 41.39 2kax h LEU 9 CO 0.03 -0.17 -0.16 0.41 -0.00 0.00 0.00 178.44 178.55 2kax n THR 10 N -5.24 -0.32 -0.04 0.22 -1.04 0.95 0.12 114.28 108.94 2kax n THR 10 Ca -0.10 1.71 -0.14 0.00 -2.04 0.00 0.00 64.05 63.48 2kax n THR 10 Cb 0.30 -2.38 -0.09 0.00 -1.82 0.00 0.00 70.33 66.34 2kax n THR 10 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 2kax h THR 11 N 0.00 1.43 -0.73 12.58 2.02 -1.46 -1.28 112.91 125.47 2kax h THR 11 Ca 0.37 -1.52 -0.05 0.00 0.77 0.00 0.00 66.41 65.98 2kax h THR 11 Cb 0.60 2.26 -0.03 0.00 -1.74 0.00 0.00 68.15 69.24 2kax h THR 11 CO -0.76 0.42 0.24 -0.03 0.37 0.00 0.00 175.52 175.76 2kax h MET 12 N -0.28 1.12 -0.27 6.66 -1.53 0.33 -0.97 114.93 119.99 2kax h MET 12 Ca -0.00 -0.23 -0.17 0.00 -3.44 0.00 0.00 59.70 55.86 2kax h MET 12 Cb 0.77 -0.17 -0.00 0.00 -0.55 0.00 0.00 31.60 31.65 2kax h MET 12 CO 0.04 0.94 -0.51 -0.39 0.14 0.00 0.00 176.91 177.12 2kax h VAL 13 N 1.08 1.29 0.30 -5.77 -1.51 -0.38 -2.59 116.25 108.67 2kax h VAL 13 Ca 0.24 -1.71 -0.01 0.00 -1.23 0.00 0.00 66.70 63.99 2kax h VAL 13 Cb 0.28 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 31.05 2kax h VAL 13 CO -0.01 0.55 -0.20 0.74 -1.23 0.00 0.00 177.57 177.42 2kax h THR 14 N 0.61 0.58 -0.86 7.19 2.02 -1.04 -1.77 112.91 119.64 2kax h THR 14 Ca 0.02 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.22 2kax h THR 14 Cb 1.10 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 68.04 2kax h THR 14 CO 0.11 0.00 0.56 0.71 0.37 0.00 0.00 175.52 177.28 2kax h THR 15 N -0.49 1.20 -0.04 3.16 1.35 -1.18 -2.00 112.91 114.91 2kax h THR 15 Ca -0.03 -0.39 -0.02 0.00 -0.55 0.00 0.00 66.41 65.42 2kax h THR 15 Cb 0.42 -0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.80 2kax h THR 15 CO 0.02 0.21 -0.07 0.15 -0.25 0.00 0.00 175.52 175.58 2kax h PHE 16 N 1.14 0.14 0.00 4.73 3.04 -1.44 -3.22 116.94 121.32 2kax h PHE 16 Ca 0.32 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.22 2kax h PHE 16 Cb -0.10 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.39 2kax h PHE 16 CO -0.01 0.64 0.00 1.25 -2.02 0.00 0.00 178.31 178.17 2kax h HIS 17 N -0.41 0.00 0.00 0.41 2.76 -1.20 -0.83 115.15 115.88 2kax h HIS 17 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2kax h HIS 17 Cb 0.63 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.59 2kax h HIS 17 CO 0.12 0.00 0.00 -0.22 -1.30 0.00 0.00 177.93 176.53 2kax h LYS 18 N 0.00 0.00 0.00 5.26 3.11 -1.37 -1.10 116.57 122.47 2kax h LYS 18 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2kax h LYS 18 Cb 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.48 2kax h LYS 18 CO 0.00 0.00 -0.85 0.66 -2.81 0.00 0.00 179.45 176.45 2kax n TYR 19 N -2.94 0.00 0.11 1.91 4.02 -0.38 -4.70 117.16 115.18 2kax n TYR 19 Ca -0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.84 2kax n TYR 19 Cb 0.07 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.44 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 0.00 0.00 7.72 4.64 -1.51 -3.31 113.55 121.09 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 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2kax h SER 20 CO 0.00 0.74 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 2kax n GLY 21 N 0.76 1.49 0.05 -0.77 0.00 -0.42 -3.35 105.19 102.95 2kax n GLY 21 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 2kax n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kax n ARG 22 N 0.62 0.04 0.00 1.61 1.74 -1.25 -4.98 116.66 114.44 2kax n ARG 22 Ca 0.00 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2kax n ARG 22 Cb 0.37 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 2kax n ARG 22 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2kax n GLU 23 N -2.57 0.00 0.00 5.56 -0.58 -1.21 -5.11 120.64 116.72 2kax n GLU 23 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2kax n GLU 23 Cb 0.53 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.40 2kax n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kax n GLY 24 N -0.23 1.34 3.58 0.62 0.00 -1.26 -4.77 105.19 104.47 2kax n GLY 24 Ca 0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 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 -4.00 -0.12 0.48 1.61 0.15 -1.20 -5.05 113.70 105.57 2kax s SER 25 Ca 0.00 -0.83 0.20 0.00 0.70 0.00 0.00 55.95 56.02 2kax s SER 25 Cb 0.00 0.58 1.21 0.00 -1.71 0.00 0.00 66.02 66.10 2kax s SER 25 CO 0.00 -1.12 1.96 0.11 1.20 0.00 0.00 173.24 175.39 2kax h LYS 26 N 2.25 0.22 0.00 5.44 6.56 -1.94 -1.84 116.57 127.26 2kax h LYS 26 Ca -0.26 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.31 2kax h LYS 26 Cb 1.25 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 2kax h LYS 26 CO 0.36 0.14 -0.46 1.37 -2.06 0.00 0.00 179.45 178.80 2kax h LEU 27 N 0.22 0.00 -7.60 2.94 -0.00 -1.96 -3.44 115.31 105.47 2kax h LEU 27 Ca 0.31 -0.04 -0.13 0.00 -0.00 0.00 0.00 57.88 58.01 2kax h LEU 27 Cb 0.90 0.00 -0.21 0.00 -0.00 0.00 0.00 40.66 41.36 2kax h LEU 27 CO -0.06 0.02 -0.37 0.42 -0.00 0.00 0.00 178.44 178.45 2kax s THR 28 N -3.24 0.07 0.07 0.15 -4.23 -0.69 -4.00 115.64 103.76 2kax s THR 28 Ca 0.05 -0.54 -0.10 0.00 -1.18 0.00 0.00 61.69 59.92 2kax s THR 28 Cb 0.09 -0.53 0.00 0.00 1.34 0.00 0.00 72.50 73.41 2kax s THR 28 CO 0.71 -0.30 0.21 -1.48 -0.54 0.00 0.00 174.62 173.23 2kax s LEU 29 N -1.28 1.30 0.37 4.79 2.34 -0.93 -3.24 118.68 122.02 2kax s LEU 29 Ca -0.13 -0.48 -0.27 0.00 0.06 0.00 0.00 54.13 53.31 2kax s LEU 29 Cb -0.06 1.08 -0.09 0.00 -0.56 0.00 0.00 46.19 46.56 2kax s LEU 29 CO 0.03 -0.66 1.22 -0.94 -1.06 0.00 0.00 176.35 174.94 2kax s SER 30 N -2.47 6.64 0.29 1.48 1.04 -1.26 -0.58 113.70 118.84 2kax s SER 30 Ca -0.00 2.47 0.04 0.00 0.48 0.00 0.00 55.95 58.94 2kax s SER 30 Cb 0.02 -2.63 0.68 0.00 0.10 0.00 0.00 66.02 64.19 2kax s SER 30 CO -0.07 -0.60 1.76 0.03 0.98 0.00 0.00 173.24 175.34 2kax h ARG 31 N 2.98 0.67 0.00 4.02 2.47 -1.39 0.01 114.38 123.14 2kax h ARG 31 Ca -0.49 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.17 2kax h ARG 31 Cb 1.23 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 29.40 2kax h ARG 31 CO 0.64 0.45 -0.09 -0.22 0.56 0.00 0.00 179.97 181.30 2kax h LYS 32 N 0.70 0.00 0.00 0.04 3.11 -1.82 -2.90 116.57 115.70 2kax h LYS 32 Ca 0.55 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 58.27 2kax h LYS 32 Cb 0.85 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.06 2kax h LYS 32 CO -0.39 0.09 -0.54 0.93 -2.81 0.00 0.00 179.45 176.73 2kax h GLU 33 N 0.00 0.00 -0.46 1.90 4.39 -1.34 -1.01 114.58 118.06 2kax h GLU 33 Ca -0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 2kax h GLU 33 Cb 0.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2kax h GLU 33 CO 0.01 0.54 -0.11 1.25 -1.16 0.00 0.00 179.01 179.55 2kax h LEU 34 N 0.00 0.89 -1.37 1.33 5.85 -1.63 -1.76 115.31 118.62 2kax h LEU 34 Ca -0.01 -0.36 0.07 0.00 0.84 0.00 0.00 57.88 58.42 2kax h LEU 34 Cb 1.03 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 2kax h LEU 34 CO 0.07 1.04 0.49 0.50 -0.34 0.00 0.00 178.44 180.20 2kax h LYS 35 N 0.72 0.74 -0.42 1.25 3.64 -1.38 -2.66 116.57 118.46 2kax h LYS 35 Ca 0.12 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.33 2kax h LYS 35 Cb 0.65 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2kax h LYS 35 CO 0.04 0.49 -0.20 1.49 -2.27 0.00 0.00 179.45 179.00 2kax h GLU 36 N 0.76 0.87 -0.16 1.90 4.57 -0.86 -2.47 114.58 119.19 2kax h GLU 36 Ca 0.32 -0.38 0.05 0.00 -1.18 0.00 0.00 59.36 58.17 2kax h GLU 36 Cb 0.28 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.79 2kax h GLU 36 CO -0.11 1.03 -0.26 1.25 -1.18 0.00 0.00 179.01 179.73 2kax h LEU 37 N 0.69 -0.82 -2.19 1.64 5.85 -1.00 -1.31 115.31 118.17 2kax h LEU 37 Ca 0.09 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 2kax h LEU 37 Cb 0.76 0.36 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 2kax h LEU 37 CO 0.06 -0.31 -0.01 0.40 -0.34 0.00 0.00 178.44 178.25 2kax h ILE 38 N -0.32 0.03 -0.00 4.05 2.04 -1.29 -1.27 117.51 120.76 2kax h ILE 38 Ca 0.11 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2kax h ILE 38 Cb 0.48 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2kax h ILE 38 CO -0.34 0.01 -0.89 0.29 0.00 0.00 0.00 178.15 177.22 2kax n LYS 39 N -3.12 0.11 -0.09 2.37 4.76 -0.95 -3.87 118.16 117.37 2kax n LYS 39 Ca -0.01 -0.09 -0.13 0.00 -2.87 0.00 0.00 58.31 55.21 2kax n LYS 39 Cb 0.19 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 31.74 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 -1.37 0.68 -0.00 1.97 4.01 -0.52 -4.69 118.16 118.23 2kax n LYS 40 Ca 0.05 0.11 0.05 0.00 -0.51 0.00 0.00 58.31 58.00 2kax n LYS 40 Cb 0.34 -1.58 -0.07 0.00 -0.51 0.00 0.00 35.03 33.22 2kax n LYS 40 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 2kax n GLU 41 N -3.02 1.92 -4.95 1.97 -0.00 -0.86 -5.03 120.64 110.66 2kax n GLU 41 Ca -0.35 -0.05 -0.32 0.00 -0.00 0.00 0.00 57.16 56.44 2kax n GLU 41 Cb 1.08 -1.12 -0.14 0.00 -0.00 0.00 0.00 31.44 31.27 2kax n GLU 41 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2kax s LEU 42 N -3.13 2.61 0.00 -1.84 0.20 -1.25 -5.01 118.68 110.26 2kax s LEU 42 Ca -0.00 -0.26 0.00 0.00 0.69 0.00 0.00 54.13 54.55 2kax s LEU 42 Cb 0.07 -1.52 0.00 0.00 -0.43 0.00 0.00 46.19 44.31 2kax s LEU 42 CO 0.42 0.32 0.44 0.00 -0.29 0.00 0.00 176.35 177.24 2kax h LEU 44 N 0.20 0.00 -4.21 0.00 5.85 -1.95 -3.39 115.31 111.81 2kax h LEU 44 Ca 0.00 0.00 -0.47 0.00 0.84 0.00 0.00 57.88 58.25 2kax h LEU 44 Cb 0.33 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.18 2kax h LEU 44 CO 0.00 0.81 0.45 0.61 -0.34 0.00 0.00 178.44 179.96 2kax n GLY 45 N 1.35 4.39 0.00 3.75 0.00 -1.26 -3.48 105.19 109.94 2kax n GLY 45 Ca -0.03 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 0.58 0.00 0.26 1.61 0.00 -1.26 -4.96 120.64 116.87 2kax n GLU 46 Ca 0.44 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.73 2kax n GLU 46 Cb 0.55 0.00 0.79 0.00 0.00 0.00 0.00 31.44 32.78 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 -6.30 3.44 2.86 -1.74 -3.43 114.93 109.76 2kax h MET 47 Ca 0.00 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 57.05 2kax h MET 47 Cb 0.00 0.00 -0.20 0.00 0.06 0.00 0.00 31.60 31.46 2kax h MET 47 CO 0.00 0.00 -0.82 0.15 1.06 0.00 0.00 176.91 177.30 2kax s LYS 48 N -4.83 1.30 0.00 1.72 3.01 -1.26 -5.16 119.74 114.53 2kax s LYS 48 Ca -0.05 -1.35 0.00 0.00 -1.01 0.00 0.00 55.97 53.56 2kax s LYS 48 Cb 0.16 -1.55 0.00 0.00 -1.01 0.00 0.00 37.83 35.43 2kax s LYS 48 CO 0.60 0.34 0.00 -0.85 0.51 0.00 0.00 175.35 175.96 2kax n GLU 49 N 0.63 0.56 0.00 1.68 0.28 -1.26 -4.92 120.64 117.61 2kax n GLU 49 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.84 2kax n GLU 49 Cb 0.55 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.42 2kax n GLU 49 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2kax n SER 50 N 0.00 0.00 0.00 -1.84 7.64 -1.26 -1.72 113.62 116.44 2kax n SER 50 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.96 2kax n SER 50 Cb 0.00 0.00 0.46 0.00 -1.01 0.00 0.00 64.21 63.66 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 2.22 0.00 0.08 6.43 7.64 -1.26 -0.95 113.62 127.78 2kax n SER 51 Ca 0.00 -0.43 0.01 0.00 1.01 0.00 0.00 58.87 59.46 2kax n SER 51 Cb 0.00 -0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.13 2kax n SER 51 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 2kax h ILE 52 N 0.00 0.64 0.12 0.44 -0.00 -1.70 -3.40 117.51 113.61 2kax h ILE 52 Ca 0.00 -2.07 -0.27 0.00 -0.00 0.00 0.00 64.86 62.52 2kax h ILE 52 Cb 0.02 2.17 0.01 0.00 -0.00 0.00 0.00 36.82 39.02 2kax h ILE 52 CO 0.00 0.36 -1.20 -0.78 -0.00 0.00 0.00 178.15 176.53 2kax h ASP 53 N 0.00 0.54 0.91 2.16 3.58 -1.22 -2.39 116.42 119.99 2kax h ASP 53 Ca -0.09 -0.53 -0.00 0.00 0.42 0.00 0.00 57.03 56.82 2kax h ASP 53 Cb 1.49 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.37 2kax h ASP 53 CO 0.05 1.39 -0.01 -0.78 -2.88 0.00 0.00 179.24 177.02 2kax h ASP 54 N 0.14 0.00 0.06 2.28 3.58 -1.79 0.18 116.42 120.86 2kax h ASP 54 Ca -0.14 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.31 2kax h ASP 54 Cb 1.90 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.95 2kax h ASP 54 CO 0.21 0.01 -0.03 -0.07 -2.88 0.00 0.00 179.24 176.48 2kax h LEU 55 N 0.00 -0.07 -1.87 2.28 3.38 -1.72 0.14 115.31 117.45 2kax h LEU 55 Ca -0.00 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.60 2kax h LEU 55 Cb 0.46 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2kax h LEU 55 CO 0.00 0.36 0.11 0.24 0.09 0.00 0.00 178.44 179.24 2kax h MET 56 N -0.51 0.17 -0.09 1.13 2.86 -0.85 0.73 114.93 118.37 2kax h MET 56 Ca -0.01 -0.01 -0.15 0.00 -2.06 0.00 0.00 59.70 57.47 2kax h MET 56 Cb 0.45 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 2kax h MET 56 CO 0.01 0.11 -0.61 0.87 1.06 0.00 0.00 176.91 178.35 2kax h LYS 57 N 0.17 0.32 0.00 1.72 6.56 -0.60 -2.70 116.57 122.05 2kax h LYS 57 Ca 0.07 -0.22 0.00 0.00 -1.06 0.00 0.00 60.65 59.43 2kax h LYS 57 Cb 0.06 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 2kax h LYS 57 CO -0.01 0.83 0.01 0.43 -2.06 0.00 0.00 179.45 178.65 2kax n SER 58 N -3.88 0.00 -0.12 0.86 7.64 0.49 0.07 113.62 118.68 2kax n SER 58 Ca -0.03 0.17 -0.23 0.00 1.01 0.00 0.00 58.87 59.79 2kax n SER 58 Cb 0.63 -0.17 -0.10 0.00 -1.01 0.00 0.00 64.21 63.56 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 -1.16 1.90 -0.01 -3.43 4.77 -1.03 -4.65 117.00 113.39 2kax n LEU 59 Ca 0.00 0.40 -0.10 0.00 -0.03 0.00 0.00 56.01 56.28 2kax n LEU 59 Cb 0.01 -0.88 -0.03 0.00 -2.33 0.00 0.00 43.42 40.18 2kax n LEU 59 CO 0.00 0.31 0.67 0.44 -1.33 0.00 0.00 177.39 177.48 2kax h ASP 60 N -1.00 -0.89 0.00 -1.43 3.32 -0.95 -2.07 116.42 113.40 2kax h ASP 60 Ca -0.45 0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.73 2kax h ASP 60 Cb 1.36 0.39 0.00 0.00 0.22 0.00 0.00 39.33 41.30 2kax h ASP 60 CO -0.28 -0.32 0.12 0.07 -1.72 0.00 0.00 179.24 177.11 2kax h LYS 61 N -0.34 0.00 -0.85 3.56 2.10 -0.63 -1.03 116.57 119.38 2kax h LYS 61 Ca 0.11 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.42 2kax h LYS 61 Cb 0.51 0.00 -0.38 0.00 -0.90 0.00 0.00 32.23 31.46 2kax h LYS 61 CO -0.35 0.00 -1.11 0.09 -2.00 0.00 0.00 179.45 176.08 2kax n ASN 62 N -2.98 1.13 0.00 7.07 4.13 -1.22 -4.98 115.26 118.41 2kax n ASN 62 Ca -0.03 -2.62 0.00 0.00 1.68 0.00 0.00 54.58 53.62 2kax n ASN 62 Cb 0.18 -0.38 0.01 0.00 -1.54 0.00 0.00 39.78 38.05 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 -0.17 0.00 0.17 6.41 7.64 -0.39 -1.58 113.62 125.70 2kax n SER 63 Ca 0.08 -0.81 0.12 0.00 1.01 0.00 0.00 58.87 59.26 2kax n SER 63 Cb 0.82 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 64.13 2kax n SER 63 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2kax h ASP 64 N 0.00 0.00 -2.97 6.43 2.03 -1.87 -3.37 116.42 116.67 2kax h ASP 64 Ca 0.00 -0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 55.80 2kax h ASP 64 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2kax h ASP 64 CO 0.00 0.00 -0.16 -1.10 -1.03 0.00 0.00 179.24 176.95 2kax s GLN 65 N -3.27 3.53 0.26 4.15 -1.52 -0.61 -4.94 119.66 117.26 2kax s GLN 65 Ca 0.04 -0.20 -0.04 0.00 -1.95 0.00 0.00 55.36 53.20 2kax s GLN 65 Cb 0.07 -2.65 -0.05 0.00 -0.22 0.00 0.00 33.01 30.16 2kax s GLN 65 CO 0.72 0.16 0.51 -1.21 -0.25 0.00 0.00 175.29 175.22 2kax s GLU 66 N -4.07 3.62 0.05 2.91 2.02 -1.26 -1.39 118.70 120.58 2kax s GLU 66 Ca 0.41 -0.04 0.08 0.00 0.02 0.00 0.00 54.97 55.44 2kax s GLU 66 Cb -0.10 -2.69 -0.03 0.00 0.10 0.00 0.00 34.13 31.41 2kax s GLU 66 CO 0.35 0.27 -0.22 0.96 0.02 0.00 0.00 175.26 176.64 2kax s ILE 67 N -2.00 1.77 0.49 -1.63 -4.36 0.25 -4.85 121.20 110.87 2kax s ILE 67 Ca 0.43 -1.27 0.08 0.00 -0.26 0.00 0.00 60.65 59.62 2kax s ILE 67 Cb -0.11 -1.54 0.08 0.00 1.25 0.00 0.00 42.46 42.14 2kax s ILE 67 CO 0.29 0.21 0.64 -0.90 0.24 0.00 0.00 174.94 175.42 2kax n ASP 68 N 1.76 1.84 0.27 4.36 5.75 -1.26 -2.19 116.55 127.07 2kax n ASP 68 Ca -0.17 -2.32 0.11 0.00 -0.01 0.00 0.00 54.79 52.40 2kax n ASP 68 Cb 0.53 -0.33 0.74 0.00 -1.03 0.00 0.00 41.12 41.03 2kax n ASP 68 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2kax h PHE 69 N 0.14 0.00 0.15 2.11 3.57 -1.98 -1.23 116.94 119.70 2kax h PHE 69 Ca -0.23 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.26 2kax h PHE 69 Cb 1.05 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.79 2kax h PHE 69 CO 0.00 0.08 -0.07 -0.22 -2.23 0.00 0.00 178.31 175.87 2kax h LYS 70 N 0.00 -0.19 -0.47 1.11 3.64 -1.96 -0.50 116.57 118.20 2kax h LYS 70 Ca -0.00 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 2kax h LYS 70 Cb 0.18 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 2kax h LYS 70 CO 0.01 0.23 0.32 0.93 -2.27 0.00 0.00 179.45 178.67 2kax h GLU 71 N -0.73 0.28 0.03 1.90 4.39 -1.90 0.40 114.58 118.94 2kax h GLU 71 Ca -0.02 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 2kax h GLU 71 Cb 0.52 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2kax h GLU 71 CO 0.03 0.18 -0.01 -0.92 -1.16 0.00 0.00 179.01 177.13 2kax h TYR 72 N 0.28 -0.04 -0.41 4.33 3.20 -1.21 -1.64 116.97 121.50 2kax h TYR 72 Ca 0.21 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 2kax h TYR 72 Cb 0.47 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 2kax h TYR 72 CO -0.00 0.55 -0.06 0.66 -1.64 0.00 0.00 178.16 177.68 2kax h SER 73 N -0.67 0.66 0.02 -2.11 4.64 -0.72 0.18 113.55 115.55 2kax h SER 73 Ca -0.00 -0.17 -0.15 0.00 -0.47 0.00 0.00 61.79 61.00 2kax h SER 73 Cb 0.61 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2kax h SER 73 CO 0.01 0.77 -0.51 -0.37 -0.87 0.00 0.00 176.83 175.85 2kax h VAL 74 N 0.63 1.32 -0.18 0.95 -1.51 -1.03 -0.92 116.25 115.51 2kax h VAL 74 Ca 0.12 -1.74 -0.01 0.00 -1.23 0.00 0.00 66.70 63.83 2kax h VAL 74 Cb 0.48 1.72 -0.01 0.00 -2.13 0.00 0.00 31.29 31.35 2kax h VAL 74 CO 0.02 0.54 0.06 0.15 -1.23 0.00 0.00 177.57 177.12 2kax h PHE 75 N 0.43 0.29 -0.44 5.19 3.57 -0.83 0.21 116.94 125.35 2kax h PHE 75 Ca 0.02 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.53 2kax h PHE 75 Cb 1.04 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 2kax h PHE 75 CO 0.04 0.36 0.22 -0.07 -2.23 0.00 0.00 178.31 176.64 2kax h LEU 76 N 0.13 0.31 -0.39 0.59 3.38 -1.00 0.11 115.31 118.44 2kax h LEU 76 Ca 0.06 0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.88 2kax h LEU 76 Cb 0.21 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2kax h LEU 76 CO -0.00 0.22 -0.81 0.74 0.09 0.00 0.00 178.44 178.68 2kax h THR 77 N 0.44 1.54 -0.16 0.22 2.02 -0.97 0.19 112.91 116.19 2kax h THR 77 Ca 0.19 -2.64 -0.03 0.00 0.77 0.00 0.00 66.41 64.70 2kax h THR 77 Cb 0.11 2.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 2kax h THR 77 CO -0.14 0.76 -0.01 -0.03 0.37 0.00 0.00 175.52 176.47 2kax h MET 78 N 0.04 0.29 -0.47 6.66 1.85 -0.51 -2.71 114.93 120.09 2kax h MET 78 Ca -0.02 -0.10 -0.06 0.00 -0.61 0.00 0.00 59.70 58.91 2kax h MET 78 Cb 1.42 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 33.41 2kax h MET 78 CO 0.11 0.52 0.06 1.25 -0.40 0.00 0.00 176.91 178.45 2kax h LEU 79 N 0.02 0.76 -0.62 3.39 5.85 -0.64 -2.85 115.31 121.23 2kax h LEU 79 Ca 0.04 -0.27 0.13 0.00 0.84 0.00 0.00 57.88 58.62 2kax h LEU 79 Cb 0.40 -0.20 -0.11 0.00 0.37 0.00 0.00 40.66 41.11 2kax h LEU 79 CO 0.01 0.84 -0.11 0.00 -0.34 0.00 0.00 178.44 178.84 2kax n MET 81 N -5.38 0.67 -0.01 0.00 0.00 -1.02 -0.78 117.12 110.59 2kax n MET 81 Ca 0.08 0.00 0.14 0.00 0.00 0.00 0.00 57.70 57.92 2kax n MET 81 Cb 0.33 -1.44 0.73 0.00 0.00 0.00 0.00 33.22 32.85 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 -0.94 2.63 0.00 3.17 0.00 -0.58 -4.67 120.51 120.12 2kax n ALA 82 Ca 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2kax n ALA 82 Cb 0.06 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 -0.54 0.00 -1.77 0.00 4.11 -0.81 -5.04 117.16 113.12 2kax n TYR 83 Ca 0.21 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.68 2kax n TYR 83 Cb 0.19 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.50 2kax n TYR 83 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 2kax s ASN 84 N -0.91 6.48 0.00 9.48 -0.87 0.04 -4.88 114.94 124.27 2kax s ASN 84 Ca 0.00 2.67 0.10 0.00 -1.57 0.00 0.00 52.86 54.05 2kax s ASN 84 Cb 0.00 -2.56 0.50 0.00 -0.02 0.00 0.00 41.25 39.17 2kax s ASN 84 CO 0.00 -0.98 1.19 -0.90 -2.57 0.00 0.00 177.10 173.84 2kax n ASP 85 N 5.98 0.00 0.30 -1.22 5.75 -1.26 -1.70 116.55 124.40 2kax n ASP 85 Ca 0.18 0.13 0.19 0.00 -0.01 0.00 0.00 54.79 55.28 2kax n ASP 85 Cb 0.39 -0.28 0.92 0.00 -1.03 0.00 0.00 41.12 41.12 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 -0.51 2.11 -1.00 -1.97 -2.28 116.94 113.30 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 0.09 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.65 2kax h PHE 86 CO 0.00 0.02 0.00 1.19 -1.61 0.00 0.00 178.31 177.91 2kax n PHE 87 N -3.16 1.51 -0.84 -0.55 3.72 -0.69 -4.99 117.46 112.45 2kax n PHE 87 Ca -0.01 -0.55 -0.30 0.00 -0.05 0.00 0.00 57.45 56.53 2kax n PHE 87 Cb 0.20 -0.34 0.26 0.00 -0.94 0.00 0.00 39.48 38.66 2kax n PHE 87 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 2kax s LEU 88 N -1.97 0.12 0.00 4.37 -0.00 -0.86 -5.05 118.68 115.29 2kax s LEU 88 Ca 0.44 0.73 0.00 0.00 -0.00 0.00 0.00 54.13 55.30 2kax s LEU 88 Cb 0.31 -2.36 0.00 0.00 -0.00 0.00 0.00 46.19 44.14 2kax s LEU 88 CO 0.17 -4.53 0.01 -0.62 -0.00 0.00 0.00 176.35 171.37 2kax n GLU 89 N -5.05 2.21 -0.05 1.48 1.02 -1.26 -5.04 120.64 113.94 2kax n GLU 89 Ca 0.13 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2kax n GLU 89 Cb 0.59 -0.19 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 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 -0.32 0.00 -0.56 1.62 2.03 -1.26 -4.61 116.55 113.46 2kax n ASP 90 Ca 0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 2kax n ASP 90 Cb 0.01 -1.09 0.10 0.00 -0.72 0.00 0.00 41.12 39.41 2kax n ASP 90 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2kax n ASN 91 N 0.00 2.40 0.00 1.67 3.02 -1.26 -5.36 115.26 115.73 2kax n ASN 91 Ca 0.00 -1.70 0.00 0.00 -0.03 0.00 0.00 54.58 52.85 2kax n ASN 91 Cb 0.00 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 2kax n ASN 91 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93