#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 0.15 -3.54 0.03 4.71 -1.26 -5.08 120.64 115.64 2kax n GLU 2 Ca 0.00 0.06 -0.14 0.00 -0.01 0.00 0.00 57.16 57.07 2kax n GLU 2 Cb 0.00 -0.79 -0.05 0.00 -1.01 0.00 0.00 31.44 29.59 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 -2.13 0.02 0.03 2.62 -4.23 -1.26 -5.07 115.64 105.63 2kax s THR 3 Ca -0.09 -0.18 -0.20 0.00 -1.18 0.00 0.00 61.69 60.03 2kax s THR 3 Cb 0.03 -0.99 -0.16 0.00 1.34 0.00 0.00 72.50 72.72 2kax s THR 3 CO 0.12 -0.10 1.27 1.55 -0.54 0.00 0.00 174.62 176.93 2kax h PRO 4 N 2.65 0.38 -0.73 3.99 0.13 -2.01 -3.02 132.00 133.39 2kax h PRO 4 Ca -0.31 -0.25 -0.06 0.00 -0.87 0.00 0.00 66.00 64.51 2kax h PRO 4 Cb 1.22 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2kax h PRO 4 CO 0.41 0.85 0.23 1.25 -0.23 0.00 0.00 178.00 180.50 2kax h LEU 5 N -0.04 1.07 -1.22 1.56 7.12 -2.00 -2.49 115.31 119.31 2kax h LEU 5 Ca 0.00 -0.21 0.19 0.00 0.13 0.00 0.00 57.88 58.00 2kax h LEU 5 Cb 0.84 -0.28 -0.09 0.00 -0.53 0.00 0.00 40.66 40.61 2kax h LEU 5 CO 0.06 0.99 0.61 -0.08 -0.13 0.00 0.00 178.44 179.89 2kax h GLU 6 N 1.08 0.61 0.00 1.25 4.57 -1.97 0.25 114.58 120.37 2kax h GLU 6 Ca 0.24 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.36 2kax h GLU 6 Cb 0.31 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 2kax h GLU 6 CO -0.01 0.40 -0.07 0.87 -1.18 0.00 0.00 179.01 179.03 2kax h LYS 7 N 0.63 0.00 0.62 1.92 1.79 -1.31 0.22 116.57 120.43 2kax h LYS 7 Ca 0.53 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.97 2kax h LYS 7 Cb 1.00 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.66 2kax h LYS 7 CO -0.29 0.07 -0.30 0.00 -1.08 0.00 0.00 179.45 177.85 2kax h ALA 8 N 1.93 -0.83 -0.78 3.86 0.00 -0.56 -3.02 119.26 119.86 2kax h ALA 8 Ca -0.00 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.83 2kax h ALA 8 Cb 0.64 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 2kax h ALA 8 CO 0.01 -0.81 0.39 1.25 0.00 0.00 0.00 179.25 180.09 2kax h LEU 9 N -1.14 0.48 -0.33 0.00 7.12 -0.62 -1.07 115.31 119.75 2kax h LEU 9 Ca -0.08 0.08 0.05 0.00 0.13 0.00 0.00 57.88 58.05 2kax h LEU 9 Cb 0.67 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.76 2kax h LEU 9 CO 0.14 0.23 0.06 0.74 -0.13 0.00 0.00 178.44 179.48 2kax h THR 10 N 0.60 0.83 -0.74 1.05 2.02 -0.72 0.51 112.91 116.46 2kax h THR 10 Ca 0.41 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.54 2kax h THR 10 Cb 0.52 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 2kax h THR 10 CO -0.33 0.03 0.49 0.74 0.37 0.00 0.00 175.52 176.82 2kax h THR 11 N 0.18 1.19 -0.07 3.16 2.02 -1.23 0.40 112.91 118.56 2kax h THR 11 Ca 0.16 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 2kax h THR 11 Cb 0.18 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 2kax h THR 11 CO -0.21 0.19 -0.13 0.24 0.37 0.00 0.00 175.52 175.98 2kax h MET 12 N 1.01 0.21 -0.14 6.66 2.07 -0.46 -1.03 114.93 123.25 2kax h MET 12 Ca 0.27 -0.13 -0.05 0.00 -2.07 0.00 0.00 59.70 57.72 2kax h MET 12 Cb -0.11 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 29.62 2kax h MET 12 CO -0.06 0.71 -0.15 -0.39 1.07 0.00 0.00 176.91 178.10 2kax h VAL 13 N -0.26 1.18 -0.21 -2.22 -1.51 -0.73 -1.02 116.25 111.48 2kax h VAL 13 Ca 0.00 -0.81 -0.04 0.00 -1.23 0.00 0.00 66.70 64.62 2kax h VAL 13 Cb 0.70 1.25 -0.01 0.00 -2.13 0.00 0.00 31.29 31.10 2kax h VAL 13 CO 0.03 0.25 -0.02 0.74 -1.23 0.00 0.00 177.57 177.34 2kax h THR 14 N 0.21 1.27 -0.21 7.19 2.02 -0.84 -1.24 112.91 121.30 2kax h THR 14 Ca 0.04 -0.95 -0.21 0.00 0.77 0.00 0.00 66.41 66.07 2kax h THR 14 Cb 0.39 1.47 0.01 0.00 -1.74 0.00 0.00 68.15 68.28 2kax h THR 14 CO 0.02 0.29 -0.69 0.71 0.37 0.00 0.00 175.52 176.22 2kax h THR 15 N 0.14 1.27 -0.10 3.16 1.35 -1.02 -2.68 112.91 115.03 2kax h THR 15 Ca 0.06 -1.88 -0.02 0.00 -0.55 0.00 0.00 66.41 64.02 2kax h THR 15 Cb 0.44 1.84 -0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2kax h THR 15 CO 0.01 0.60 0.00 0.15 -0.25 0.00 0.00 175.52 176.04 2kax h PHE 16 N 0.60 0.19 -0.28 4.73 3.04 -1.24 -2.89 116.94 121.09 2kax h PHE 16 Ca -0.03 -0.03 0.08 0.00 3.98 0.00 0.00 57.97 61.97 2kax h PHE 16 Cb 1.31 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.76 2kax h PHE 16 CO 0.08 0.42 0.21 1.25 -2.02 0.00 0.00 178.31 178.26 2kax h HIS 17 N -0.09 0.00 0.00 0.41 2.76 -1.27 -2.05 115.15 114.90 2kax h HIS 17 Ca 0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2kax h HIS 17 Cb 0.34 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.30 2kax h HIS 17 CO 0.03 0.00 0.00 1.17 -1.30 0.00 0.00 177.93 177.83 2kax n LYS 18 N -4.36 0.06 -0.01 5.26 0.00 -1.01 -0.47 118.16 117.64 2kax n LYS 18 Ca 0.04 0.46 0.00 0.00 0.00 0.00 0.00 58.31 58.81 2kax n LYS 18 Cb 0.37 -1.65 -0.02 0.00 0.00 0.00 0.00 35.03 33.74 2kax n LYS 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2kax n TYR 19 N -1.76 0.00 -0.08 5.64 4.02 -0.79 -4.77 117.16 119.42 2kax n TYR 19 Ca 0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.76 2kax n TYR 19 Cb 0.08 -0.08 -0.10 0.00 -0.02 0.00 0.00 39.34 39.22 2kax n TYR 19 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2kax h SER 20 N 0.00 0.00 -1.18 7.72 0.02 -1.44 -3.45 113.55 115.22 2kax h SER 20 Ca -0.03 -0.63 -0.47 0.00 -0.84 0.00 0.00 61.79 59.82 2kax h SER 20 Cb 0.52 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.99 2kax h SER 20 CO 0.00 1.09 1.16 -0.83 -1.14 0.00 0.00 176.83 177.11 2kax s GLY 21 N -4.36 0.72 0.00 -3.77 0.00 0.38 -2.53 107.32 97.76 2kax s GLY 21 Ca -0.20 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 42.78 2kax s GLY 21 CO 0.54 3.05 0.00 -0.96 0.00 0.00 0.00 173.10 175.73 2kax n ARG 22 N 8.96 0.00 -0.05 2.90 1.85 -1.26 -4.74 116.66 124.31 2kax n ARG 22 Ca 0.31 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 57.00 2kax n ARG 22 Cb 0.49 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.77 2kax n ARG 22 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2kax n GLU 23 N 0.00 0.69 0.00 2.89 -0.58 -1.05 -5.11 120.64 117.48 2kax n GLU 23 Ca 0.00 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 2kax n GLU 23 Cb 0.00 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.23 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 1.94 0.19 4.21 0.62 0.00 -1.15 -5.09 105.19 105.92 2kax n GLY 24 Ca -0.33 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.56 2kax n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kax n SER 25 N 0.00 -2.94 0.00 1.61 3.41 -1.26 -3.33 113.62 111.11 2kax n SER 25 Ca 0.00 -0.99 0.04 0.00 -0.26 0.00 0.00 58.87 57.66 2kax n SER 25 Cb 0.00 -2.43 0.21 0.00 -0.26 0.00 0.00 64.21 61.72 2kax n SER 25 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2kax n LYS 26 N -4.21 0.16 0.00 4.33 4.01 -1.26 -0.93 118.16 120.26 2kax n LYS 26 Ca 0.08 0.14 0.04 0.00 -0.51 0.00 0.00 58.31 58.07 2kax n LYS 26 Cb 0.48 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 33.48 2kax n LYS 26 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2kax n LEU 27 N -1.19 0.74 -4.39 -0.35 4.77 -1.26 -4.45 117.00 110.86 2kax n LEU 27 Ca 0.04 -0.63 -0.19 0.00 -0.03 0.00 0.00 56.01 55.21 2kax n LEU 27 Cb 0.05 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.04 2kax n LEU 27 CO 0.05 0.16 -0.27 0.42 -1.33 0.00 0.00 177.39 176.42 2kax s THR 28 N -1.52 0.93 0.14 -5.08 -4.23 -0.10 -3.68 115.64 102.10 2kax s THR 28 Ca 0.05 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.30 2kax s THR 28 Cb 0.07 -2.69 0.07 0.00 1.34 0.00 0.00 72.50 71.29 2kax s THR 28 CO 0.28 -0.04 1.00 -1.48 -0.54 0.00 0.00 174.62 173.84 2kax s LEU 29 N -3.40 -0.16 0.45 4.79 2.34 -0.74 -4.61 118.68 117.35 2kax s LEU 29 Ca 0.36 -0.39 0.00 0.00 0.06 0.00 0.00 54.13 54.16 2kax s LEU 29 Cb 0.08 2.08 -0.01 0.00 -0.56 0.00 0.00 46.19 47.79 2kax s LEU 29 CO 0.14 -0.85 0.67 -0.94 -1.06 0.00 0.00 176.35 174.31 2kax s SER 30 N -2.97 5.86 0.28 1.48 1.04 -1.26 -0.35 113.70 117.77 2kax s SER 30 Ca 0.13 0.30 -0.02 0.00 0.48 0.00 0.00 55.95 56.84 2kax s SER 30 Cb -0.01 -1.56 0.38 0.00 0.10 0.00 0.00 66.02 64.93 2kax s SER 30 CO 0.02 -0.68 1.85 0.03 0.98 0.00 0.00 173.24 175.44 2kax h ARG 31 N 0.41 0.94 -0.62 4.02 3.08 -1.80 -0.66 114.38 119.75 2kax h ARG 31 Ca -0.46 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.36 2kax h ARG 31 Cb 1.25 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 2kax h ARG 31 CO 0.57 0.77 0.08 0.87 -1.07 0.00 0.00 179.97 181.19 2kax h LYS 32 N 0.92 1.03 -0.11 0.04 1.79 -1.83 -2.58 116.57 115.82 2kax h LYS 32 Ca 0.22 -0.28 -0.12 0.00 -2.18 0.00 0.00 60.65 58.29 2kax h LYS 32 Cb 0.19 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2kax h LYS 32 CO -0.02 0.96 -0.40 0.93 -1.08 0.00 0.00 179.45 179.84 2kax h GLU 33 N 0.96 0.47 -0.16 3.15 3.07 -1.72 -1.36 114.58 119.00 2kax h GLU 33 Ca 0.19 -0.36 0.05 0.00 -0.50 0.00 0.00 59.36 58.74 2kax h GLU 33 Cb 0.45 0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 28.36 2kax h GLU 33 CO 0.02 0.98 -0.30 1.25 -1.40 0.00 0.00 179.01 179.55 2kax h LEU 34 N 0.06 -0.95 -1.27 1.33 5.85 -1.20 0.19 115.31 119.32 2kax h LEU 34 Ca -0.02 0.14 0.09 0.00 0.84 0.00 0.00 57.88 58.94 2kax h LEU 34 Cb 1.04 0.41 -0.06 0.00 0.37 0.00 0.00 40.66 42.42 2kax h LEU 34 CO 0.09 -0.34 0.54 0.50 -0.34 0.00 0.00 178.44 178.89 2kax h LYS 35 N -0.36 0.79 0.05 1.25 3.11 -1.34 -2.34 116.57 117.73 2kax h LYS 35 Ca 0.10 -0.05 -0.27 0.00 -2.81 0.00 0.00 60.65 57.63 2kax h LYS 35 Cb 0.53 -0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.55 2kax h LYS 35 CO -0.36 0.52 -1.39 1.49 -2.81 0.00 0.00 179.45 176.90 2kax h GLU 36 N 0.81 0.11 0.00 1.90 4.57 -0.72 -2.47 114.58 118.78 2kax h GLU 36 Ca 0.38 -0.18 0.03 0.00 -1.18 0.00 0.00 59.36 58.41 2kax h GLU 36 Cb 0.41 0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 29.02 2kax h GLU 36 CO -0.15 0.93 -0.31 1.25 -1.18 0.00 0.00 179.01 179.55 2kax h LEU 37 N 0.03 -0.92 0.04 1.64 5.85 -0.46 0.26 115.31 121.76 2kax h LEU 37 Ca -0.17 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2kax h LEU 37 Cb 1.93 0.37 -0.00 0.00 0.37 0.00 0.00 40.66 43.33 2kax h LEU 37 CO 0.13 -0.37 -0.03 0.40 -0.34 0.00 0.00 178.44 178.23 2kax h ILE 38 N -0.46 0.94 0.00 4.05 2.04 -1.44 -1.96 117.51 120.68 2kax h ILE 38 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 2kax h ILE 38 Cb 0.54 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 2kax h ILE 38 CO -0.26 0.00 -0.64 0.29 0.00 0.00 0.00 178.15 177.54 2kax n LYS 39 N -5.12 0.06 0.43 2.37 4.76 -0.93 -0.59 118.16 119.13 2kax n LYS 39 Ca -0.07 0.01 -0.19 0.00 -2.87 0.00 0.00 58.31 55.19 2kax n LYS 39 Cb 0.06 -1.52 -0.09 0.00 -1.84 0.00 0.00 35.03 31.63 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 -1.05 0.07 1.97 1.79 -0.46 -3.41 116.57 115.49 2kax h LYS 40 Ca 0.00 0.07 -0.19 0.00 -2.18 0.00 0.00 60.65 58.35 2kax h LYS 40 Cb 0.55 0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 31.43 2kax h LYS 40 CO 0.00 -0.69 -0.95 1.05 -1.08 0.00 0.00 179.45 177.78 2kax h GLU 41 N -1.15 0.15 -4.65 3.15 -0.00 -1.38 -3.40 114.58 107.29 2kax h GLU 41 Ca -0.11 -0.25 -0.72 0.00 -0.00 0.00 0.00 59.36 58.28 2kax h GLU 41 Cb 0.84 0.09 -0.12 0.00 -0.00 0.00 0.00 28.75 29.57 2kax h GLU 41 CO 0.18 1.12 2.11 -0.11 -0.00 0.00 0.00 179.01 182.32 2kax n LEU 42 N -4.22 5.79 -0.50 3.06 0.00 0.25 -4.63 117.00 116.74 2kax n LEU 42 Ca -0.21 -4.28 0.05 0.00 0.00 0.00 0.00 56.01 51.57 2kax n LEU 42 Cb 0.75 -1.64 0.07 0.00 0.00 0.00 0.00 43.42 42.60 2kax n LEU 42 CO 0.36 0.78 0.34 0.00 0.00 0.00 0.00 177.39 178.87 2kax h LEU 44 N 0.25 0.00 0.00 0.00 8.10 -1.96 -3.46 115.31 118.23 2kax h LEU 44 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.96 2kax h LEU 44 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.51 2kax h LEU 44 CO 0.01 0.00 0.00 0.61 -4.11 0.00 0.00 178.44 174.95 2kax n GLY 45 N -1.42 2.23 0.47 0.17 0.00 -1.26 -4.86 105.19 100.51 2kax n GLY 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.13 0.54 0.00 1.61 0.28 -1.26 -4.83 120.64 116.85 2kax n GLU 46 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2kax n GLU 46 Cb 0.00 -1.25 0.00 0.00 1.43 0.00 0.00 31.44 31.62 2kax n GLU 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kax n MET 47 N 0.18 0.58 -1.65 3.44 0.00 -1.26 -5.13 117.12 113.29 2kax n MET 47 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 57.70 57.24 2kax n MET 47 Cb 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.31 2kax n MET 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2kax n LYS 48 N 0.00 1.80 -0.04 3.17 3.00 -1.26 -4.98 118.16 119.85 2kax n LYS 48 Ca 0.00 0.64 -0.01 0.00 -0.00 0.00 0.00 58.31 58.95 2kax n LYS 48 Cb 0.00 -2.27 -0.00 0.00 0.00 0.00 0.00 35.03 32.76 2kax n LYS 48 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 2kax h GLU 49 N 4.11 0.00 0.00 1.64 -0.00 -2.00 -3.47 114.58 114.86 2kax h GLU 49 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 2kax h GLU 49 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.04 2kax h GLU 49 CO 0.75 0.00 0.00 0.45 -0.00 0.00 0.00 179.01 180.21 2kax n SER 50 N -3.82 0.15 0.00 3.06 2.88 -1.26 -4.62 113.62 110.01 2kax n SER 50 Ca -0.01 -0.93 0.00 0.00 -1.33 0.00 0.00 58.87 56.60 2kax n SER 50 Cb 0.04 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 2kax n SER 50 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2kax n SER 51 N -2.66 0.00 0.26 -3.46 2.88 -1.26 -4.63 113.62 104.75 2kax n SER 51 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 2kax n SER 51 Cb 0.00 0.00 0.76 0.00 -0.75 0.00 0.00 64.21 64.22 2kax n SER 51 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 2kax h ILE 52 N 0.00 0.78 0.25 2.46 -0.00 -1.91 -2.70 117.51 116.40 2kax h ILE 52 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.86 2kax h ILE 52 Cb 0.00 0.98 -0.01 0.00 -0.00 0.00 0.00 36.82 37.79 2kax h ILE 52 CO 0.00 0.00 -0.19 -0.78 -0.00 0.00 0.00 178.15 177.18 2kax h ASP 53 N 0.00 -0.47 -0.03 2.16 3.58 -1.86 -2.81 116.42 116.99 2kax h ASP 53 Ca 0.02 0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.46 2kax h ASP 53 Cb 0.08 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 2kax h ASP 53 CO -0.00 -0.29 -0.10 -0.78 -2.88 0.00 0.00 179.24 175.19 2kax h ASP 54 N -0.44 0.27 -0.07 2.28 3.58 -1.88 0.88 116.42 121.05 2kax h ASP 54 Ca -0.02 -0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.32 2kax h ASP 54 Cb 0.38 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2kax h ASP 54 CO -0.00 0.41 -0.20 -0.07 -2.88 0.00 0.00 179.24 176.50 2kax h LEU 55 N 0.28 0.31 -0.11 2.28 3.38 -1.65 0.63 115.31 120.43 2kax h LEU 55 Ca 0.06 -0.60 0.03 0.00 0.09 0.00 0.00 57.88 57.46 2kax h LEU 55 Cb 0.36 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2kax h LEU 55 CO 0.02 0.85 -0.10 0.24 0.09 0.00 0.00 178.44 179.54 2kax h MET 56 N -0.22 -0.12 0.00 1.13 2.86 -1.09 -2.20 114.93 115.29 2kax h MET 56 Ca -0.00 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2kax h MET 56 Cb 0.82 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.50 2kax h MET 56 CO 0.04 -0.08 -0.08 -0.22 1.06 0.00 0.00 176.91 177.64 2kax h LYS 57 N -0.12 0.00 -0.01 1.72 3.11 -0.85 -2.03 116.57 118.39 2kax h LYS 57 Ca 0.07 0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 57.77 2kax h LYS 57 Cb 0.23 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.47 2kax h LYS 57 CO -0.18 0.08 -0.58 1.03 -2.81 0.00 0.00 179.45 176.99 2kax h SER 58 N 0.00 0.52 -0.90 4.20 0.87 -0.64 -3.30 113.55 114.30 2kax h SER 58 Ca -0.00 -0.75 -0.02 0.00 -1.23 0.00 0.00 61.79 59.79 2kax h SER 58 Cb 0.39 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 2kax h SER 58 CO 0.01 1.20 0.49 -0.07 -0.53 0.00 0.00 176.83 177.93 2kax h LEU 59 N -0.11 1.12 -1.92 2.23 3.38 -0.79 -2.87 115.31 116.35 2kax h LEU 59 Ca -0.07 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2kax h LEU 59 Cb 1.29 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2kax h LEU 59 CO 0.11 0.90 0.00 -0.78 0.09 0.00 0.00 178.44 178.77 2kax h ASP 60 N 1.26 0.00 -0.12 -0.43 1.82 -1.52 -3.06 116.42 114.38 2kax h ASP 60 Ca 0.32 0.00 0.03 0.00 -0.39 0.00 0.00 57.03 56.99 2kax h ASP 60 Cb 0.03 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.04 2kax h ASP 60 CO -0.05 0.00 0.25 0.11 -1.61 0.00 0.00 179.24 177.94 2kax h LYS 61 N 0.00 0.00 -4.93 0.28 1.79 -1.59 -3.42 116.57 108.71 2kax h LYS 61 Ca 0.00 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.98 2kax h LYS 61 Cb 0.28 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 30.80 2kax h LYS 61 CO 0.00 0.00 -0.50 -0.80 -1.08 0.00 0.00 179.45 177.07 2kax s ASN 62 N -5.09 1.97 0.00 0.86 -0.87 -1.16 -5.09 114.94 105.57 2kax s ASN 62 Ca -0.04 -1.72 0.00 0.00 -1.57 0.00 0.00 52.86 49.53 2kax s ASN 62 Cb 0.12 0.54 0.00 0.00 -0.02 0.00 0.00 41.25 41.89 2kax s ASN 62 CO 0.42 -1.01 0.07 -1.54 -2.57 0.00 0.00 177.10 172.47 2kax n SER 63 N -1.41 0.00 0.00 -1.22 3.41 -1.26 -4.43 113.62 108.70 2kax n SER 63 Ca 0.03 -0.50 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 2kax n SER 63 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 2kax n SER 63 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2kax n ASP 64 N 0.00 0.00 -4.27 4.04 5.68 -1.26 -4.60 116.55 116.14 2kax n ASP 64 Ca 0.00 -1.00 -0.27 0.00 -0.50 0.00 0.00 54.79 53.02 2kax n ASP 64 Cb 0.25 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.09 2kax n ASP 64 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2kax s GLN 65 N 0.00 1.56 0.58 0.11 -1.52 -1.26 -5.06 119.66 114.07 2kax s GLN 65 Ca 0.00 -0.95 -0.10 0.00 -1.95 0.00 0.00 55.36 52.35 2kax s GLN 65 Cb 0.00 -1.66 -0.04 0.00 -0.22 0.00 0.00 33.01 31.09 2kax s GLN 65 CO 0.00 0.43 0.97 -1.21 -0.25 0.00 0.00 175.29 175.23 2kax s GLU 66 N -1.07 3.62 0.00 2.91 2.02 -1.26 -3.31 118.70 121.61 2kax s GLU 66 Ca 0.09 0.65 0.01 0.00 0.02 0.00 0.00 54.97 55.73 2kax s GLU 66 Cb -0.09 -2.15 -0.01 0.00 0.10 0.00 0.00 34.13 31.98 2kax s GLU 66 CO 0.01 -0.46 -0.03 0.42 0.02 0.00 0.00 175.26 175.22 2kax s ILE 67 N -3.02 0.24 0.45 -1.63 1.01 0.52 -4.95 121.20 113.83 2kax s ILE 67 Ca 0.54 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.96 2kax s ILE 67 Cb -0.11 -0.23 0.01 0.00 0.01 0.00 0.00 42.46 42.14 2kax s ILE 67 CO 0.50 -0.02 0.65 1.51 0.00 0.00 0.00 174.94 177.58 2kax s ASP 68 N -0.29 5.66 0.35 3.58 1.47 -1.26 -1.79 116.67 124.38 2kax s ASP 68 Ca -0.01 -0.00 0.13 0.00 1.18 0.00 0.00 52.55 53.85 2kax s ASP 68 Cb -0.02 -1.14 0.71 0.00 -0.34 0.00 0.00 42.92 42.13 2kax s ASP 68 CO -0.00 -0.79 1.29 0.15 0.68 0.00 0.00 175.17 176.50 2kax h PHE 69 N 0.43 0.00 0.04 2.11 3.04 -1.98 -2.67 116.94 117.91 2kax h PHE 69 Ca -0.44 0.00 -0.19 0.00 3.98 0.00 0.00 57.97 61.32 2kax h PHE 69 Cb 1.27 0.00 0.02 0.00 2.56 0.00 0.00 35.95 39.80 2kax h PHE 69 CO 0.41 0.00 -0.76 -0.22 -2.02 0.00 0.00 178.31 175.73 2kax h LYS 70 N 0.00 0.45 -0.94 1.11 3.64 -1.94 -1.26 116.57 117.63 2kax h LYS 70 Ca 0.00 -0.53 0.02 0.00 -1.27 0.00 0.00 60.65 58.87 2kax h LYS 70 Cb 0.67 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.60 2kax h LYS 70 CO 0.00 1.18 0.62 0.93 -2.27 0.00 0.00 179.45 179.91 2kax h GLU 71 N -0.05 1.19 -0.43 1.90 5.08 -1.88 -0.35 114.58 120.04 2kax h GLU 71 Ca -0.11 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 2kax h GLU 71 Cb 1.48 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2kax h GLU 71 CO 0.15 0.79 0.07 -0.92 -1.00 0.00 0.00 179.01 178.10 2kax h TYR 72 N 1.23 0.75 -0.00 4.33 3.20 -1.63 -1.82 116.97 123.02 2kax h TYR 72 Ca 0.36 -0.10 -0.23 0.00 3.14 0.00 0.00 58.73 61.90 2kax h TYR 72 Cb -0.06 -0.21 0.01 0.00 1.54 0.00 0.00 36.73 38.01 2kax h TYR 72 CO -0.00 0.72 -0.95 0.66 -1.64 0.00 0.00 178.16 176.95 2kax h SER 73 N 0.56 0.60 0.15 -2.11 4.64 -0.98 -2.49 113.55 113.92 2kax h SER 73 Ca 0.13 -0.48 -0.10 0.00 -0.47 0.00 0.00 61.79 60.87 2kax h SER 73 Cb 0.37 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2kax h SER 73 CO 0.01 1.27 -0.36 -0.37 -0.87 0.00 0.00 176.83 176.52 2kax h VAL 74 N 0.26 1.29 -0.21 0.95 -1.51 -1.06 -1.16 116.25 114.81 2kax h VAL 74 Ca -0.09 -1.41 -0.06 0.00 -1.23 0.00 0.00 66.70 63.92 2kax h VAL 74 Cb 1.59 1.57 -0.01 0.00 -2.13 0.00 0.00 31.29 32.32 2kax h VAL 74 CO 0.17 0.43 -0.10 0.15 -1.23 0.00 0.00 177.57 176.99 2kax h PHE 75 N 0.26 0.50 -0.47 5.19 3.04 -1.33 0.58 116.94 124.71 2kax h PHE 75 Ca 0.03 -0.12 -0.11 0.00 3.98 0.00 0.00 57.97 61.74 2kax h PHE 75 Cb 0.75 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 39.13 2kax h PHE 75 CO 0.02 0.72 -0.16 -0.07 -2.02 0.00 0.00 178.31 176.80 2kax h LEU 76 N 0.14 0.90 -0.12 0.59 3.38 -1.44 -0.22 115.31 118.54 2kax h LEU 76 Ca 0.05 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 2kax h LEU 76 Cb 0.59 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2kax h LEU 76 CO 0.03 1.05 0.06 0.74 0.09 0.00 0.00 178.44 180.41 2kax h THR 77 N 0.79 1.11 -0.56 0.22 2.02 -1.16 -0.46 112.91 114.86 2kax h THR 77 Ca 0.12 -0.30 0.07 0.00 0.77 0.00 0.00 66.41 67.06 2kax h THR 77 Cb 0.69 1.09 -0.06 0.00 -1.74 0.00 0.00 68.15 68.14 2kax h THR 77 CO 0.05 0.10 0.25 -0.03 0.37 0.00 0.00 175.52 176.26 2kax h MET 78 N 0.08 0.46 -0.32 6.66 1.85 -0.79 -0.82 114.93 122.06 2kax h MET 78 Ca 0.04 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.10 2kax h MET 78 Cb 0.10 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 32.01 2kax h MET 78 CO -0.01 0.31 0.18 1.25 -0.40 0.00 0.00 176.91 178.24 2kax h LEU 79 N 0.48 0.39 -0.46 3.39 7.12 -0.81 -2.14 115.31 123.28 2kax h LEU 79 Ca 0.27 -0.08 -0.10 0.00 0.13 0.00 0.00 57.88 58.09 2kax h LEU 79 Cb 0.24 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.26 2kax h LEU 79 CO -0.22 0.36 -0.12 0.00 -0.13 0.00 0.00 178.44 178.32 2kax h MET 81 N 0.73 0.00 0.00 0.00 -0.00 -1.18 -1.32 114.93 113.15 2kax h MET 81 Ca 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.81 2kax h MET 81 Cb 0.67 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.27 2kax h MET 81 CO 0.05 0.14 -0.01 0.00 -0.00 0.00 0.00 176.91 177.09 2kax h ALA 82 N 1.86 1.02 0.00 -3.00 0.00 -0.82 -3.26 119.26 115.05 2kax h ALA 82 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kax h ALA 82 Cb 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2kax h ALA 82 CO 0.02 0.01 0.00 2.48 0.00 0.00 0.00 179.25 181.76 2kax n TYR 83 N -3.12 0.00 -0.94 0.00 0.18 -0.93 -4.78 117.16 107.57 2kax n TYR 83 Ca -0.01 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.56 2kax n TYR 83 Cb 0.20 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.08 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 -0.06 5.75 0.14 9.48 3.02 -0.54 -4.55 115.26 128.49 2kax n ASN 84 Ca 0.00 -2.38 0.05 0.00 -0.03 0.00 0.00 54.58 52.21 2kax n ASN 84 Cb 0.05 -1.26 0.48 0.00 -0.61 0.00 0.00 39.78 38.43 2kax n ASN 84 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2kax h ASP 85 N 4.61 0.19 0.12 6.41 3.32 -1.86 -0.69 116.42 128.51 2kax h ASP 85 Ca 0.44 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.47 2kax h ASP 85 Cb 0.71 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2kax h ASP 85 CO 0.99 0.25 0.00 0.15 -1.72 0.00 0.00 179.24 178.91 2kax h PHE 86 N 0.21 0.00 0.00 4.55 3.57 -2.00 -1.80 116.94 121.47 2kax h PHE 86 Ca 0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2kax h PHE 86 Cb 0.18 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.92 2kax h PHE 86 CO 0.00 0.00 -0.95 1.19 -2.23 0.00 0.00 178.31 176.32 2kax n PHE 87 N -2.78 0.66 -1.49 0.41 3.01 -0.27 -4.95 117.46 112.05 2kax n PHE 87 Ca -0.02 0.19 -0.29 0.00 1.01 0.00 0.00 57.45 58.34 2kax n PHE 87 Cb 0.09 -0.75 0.17 0.00 -0.01 0.00 0.00 39.48 38.98 2kax n PHE 87 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2kax s LEU 88 N -4.71 1.83 -0.18 4.37 2.01 -0.68 -4.98 118.68 116.34 2kax s LEU 88 Ca 0.02 0.77 0.10 0.00 0.01 0.00 0.00 54.13 55.02 2kax s LEU 88 Cb 0.12 -2.90 0.60 0.00 0.01 0.00 0.00 46.19 44.02 2kax s LEU 88 CO 0.78 -2.97 1.42 -0.62 1.01 0.00 0.00 176.35 175.98 2kax n GLU 89 N -4.01 3.77 0.00 1.70 4.71 -1.26 -4.94 120.64 120.60 2kax n GLU 89 Ca 0.10 -2.30 0.00 0.00 -0.01 0.00 0.00 57.16 54.95 2kax n GLU 89 Cb 0.59 -2.05 0.00 0.00 -1.01 0.00 0.00 31.44 28.97 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 0.40 0.00 -0.70 1.62 2.03 -1.26 -4.74 116.55 113.89 2kax n ASP 90 Ca 0.21 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.64 2kax n ASP 90 Cb 0.97 -0.44 0.35 0.00 -0.72 0.00 0.00 41.12 41.27 2kax n ASP 90 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2kax n ASN 91 N 0.00 2.14 0.00 1.67 0.23 -1.26 -5.20 115.26 112.84 2kax n ASN 91 Ca 0.00 -1.74 0.11 0.00 -0.53 0.00 0.00 54.58 52.42 2kax n ASN 91 Cb 0.00 -0.08 0.65 0.00 -2.08 0.00 0.00 39.78 38.27 2kax n ASN 91 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50