#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy h LEU 3 N 0.00 0.97 -0.14 3.14 6.46 -2.05 -0.36 115.31 123.32 3kiy h LEU 3 Ca 0.00 -0.11 0.03 0.00 -0.12 0.00 0.00 57.88 57.68 3kiy h LEU 3 Cb 0.00 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.65 3kiy h LEU 3 CO 0.00 0.82 -0.05 0.28 -0.62 0.00 0.00 178.44 178.87 3kiy h SER 4 N 1.06 -0.16 -0.96 1.25 0.02 -2.05 -0.67 113.55 112.04 3kiy h SER 4 Ca 0.26 0.05 0.07 0.00 -0.84 0.00 0.00 61.79 61.32 3kiy h SER 4 Cb 0.12 0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.70 3kiy h SER 4 CO -0.03 -0.06 0.62 -0.33 -1.14 0.00 0.00 176.83 175.89 3kiy h GLU 5 N -0.02 1.07 -0.11 3.45 5.08 -1.82 -1.90 114.58 120.33 3kiy h GLU 5 Ca 0.07 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3kiy h GLU 5 Cb 0.13 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3kiy h GLU 5 CO -0.16 0.71 0.04 0.28 -1.00 0.00 0.00 179.01 178.88 3kiy h VAL 6 N 1.10 1.15 -0.18 3.13 2.07 -0.39 0.29 116.25 123.43 3kiy h VAL 6 Ca 0.41 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.52 3kiy h VAL 6 Cb 0.19 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.15 3kiy h VAL 6 CO -0.16 0.14 -0.42 0.03 0.02 0.00 0.00 177.57 177.18 3kiy h ARG 7 N 0.02 -0.44 0.00 1.57 3.08 -0.50 0.51 114.38 118.62 3kiy h ARG 7 Ca 0.04 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3kiy h ARG 7 Cb 0.18 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3kiy h ARG 7 CO -0.00 -0.29 0.00 1.17 -1.07 0.00 0.00 179.97 179.77 3kiy n LYS 8 N -5.43 0.05 -0.07 0.04 4.81 -0.77 -2.37 118.16 114.41 3kiy n LYS 8 Ca -0.03 0.29 -0.12 0.00 -0.87 0.00 0.00 58.31 57.57 3kiy n LYS 8 Cb 0.36 -1.50 -0.11 0.00 0.02 0.00 0.00 35.03 33.80 3kiy n LYS 8 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 3kiy h GLN 9 N 0.00 0.00 -1.00 1.64 5.75 0.38 -3.23 115.11 118.64 3kiy h GLN 9 Ca 0.00 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.55 3kiy h GLN 9 Cb 0.13 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.62 3kiy h GLN 9 CO 0.00 0.84 0.65 -0.07 -2.65 0.00 0.00 178.83 177.60 3kiy h LEU 10 N -1.00 1.08 -1.77 -2.39 3.38 -0.87 -0.34 115.31 113.39 3kiy h LEU 10 Ca -0.03 -0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.10 3kiy h LEU 10 Cb 0.87 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 3kiy h LEU 10 CO -0.02 0.72 0.47 -0.33 0.09 0.00 0.00 178.44 179.37 3kiy h GLU 11 N 1.24 0.22 0.00 1.13 5.08 -1.59 -1.42 114.58 119.24 3kiy h GLU 11 Ca 0.41 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 3kiy h GLU 11 Cb 0.06 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3kiy h GLU 11 CO -0.14 0.15 0.00 0.39 -1.00 0.00 0.00 179.01 178.41 3kiy n GLU 12 N -4.43 0.00 -0.25 2.33 -0.58 -0.16 -4.02 120.64 113.53 3kiy n GLU 12 Ca 0.13 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.95 3kiy n GLU 12 Cb 0.59 -0.60 0.17 0.00 -0.57 0.00 0.00 31.44 31.03 3kiy n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kiy n ALA 13 N -0.93 0.29 -0.29 0.62 0.00 -1.07 0.50 120.51 119.64 3kiy n ALA 13 Ca 0.00 0.78 0.34 0.00 0.00 0.00 0.00 53.44 54.56 3kiy n ALA 13 Cb 0.00 -0.53 0.73 0.00 0.00 0.00 0.00 19.45 19.65 3kiy n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kiy h ARG 14 N 0.00 0.00 -2.25 0.00 3.08 -1.41 0.14 114.38 113.93 3kiy h ARG 14 Ca 0.40 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.82 3kiy h ARG 14 Cb 0.76 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.42 3kiy h ARG 14 CO -0.71 0.00 -0.32 0.36 -1.07 0.00 0.00 179.97 178.24 3kiy n LYS 15 N -4.04 3.66 0.00 0.04 2.85 0.18 -4.77 118.16 116.08 3kiy n LYS 15 Ca 0.24 -4.81 0.00 0.00 -1.05 0.00 0.00 58.31 52.69 3kiy n LYS 15 Cb 1.24 -2.28 0.00 0.00 -0.65 0.00 0.00 35.03 33.34 3kiy n LYS 15 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3kiy n LEU 16 N -0.23 2.40 -0.06 -5.58 4.77 0.47 -5.02 117.00 113.76 3kiy n LEU 16 Ca 0.34 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3kiy n LEU 16 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3kiy n LEU 16 CO 0.37 0.40 0.00 -0.24 -1.33 0.00 0.00 177.39 176.59 3kiy n SER 17 N -2.38 -0.61 0.00 -1.43 2.88 -1.26 -4.52 113.62 106.31 3kiy n SER 17 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3kiy n SER 17 Cb 0.42 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 3kiy n SER 17 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3kiy n PRO 18 N 2.00 0.00 -0.29 -1.46 -0.02 -1.26 0.76 135.00 134.73 3kiy n PRO 18 Ca 0.00 0.57 0.05 0.00 -2.02 0.00 0.00 63.50 62.09 3kiy n PRO 18 Cb 0.00 -0.89 0.11 0.00 -0.02 0.00 0.00 33.50 32.70 3kiy n PRO 18 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kiy n VAL 19 N -2.23 -0.33 0.08 -1.45 0.31 -1.26 0.17 118.33 113.61 3kiy n VAL 19 Ca 0.00 1.81 -0.09 0.00 -0.01 0.00 0.00 64.34 66.06 3kiy n VAL 19 Cb 0.00 -2.51 -0.00 0.00 -0.91 0.00 0.00 33.84 30.42 3kiy n VAL 19 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3kiy h GLU 20 N 0.00 0.21 -0.16 5.55 4.81 -1.01 -2.77 114.58 121.20 3kiy h GLU 20 Ca 0.38 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3kiy h GLU 20 Cb 0.57 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 3kiy h GLU 20 CO -0.81 0.95 0.08 -0.07 -0.73 0.00 0.00 179.01 178.42 3kiy h LEU 21 N 0.12 0.22 0.25 1.64 3.38 0.78 -2.84 115.31 118.86 3kiy h LEU 21 Ca -0.04 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3kiy h LEU 21 Cb 1.48 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.18 3kiy h LEU 21 CO 0.13 0.29 -0.13 -0.33 0.09 0.00 0.00 178.44 178.49 3kiy h GLU 22 N 0.13 -0.33 -1.02 1.13 5.08 -0.35 -2.44 114.58 116.78 3kiy h GLU 22 Ca 0.06 0.02 0.35 0.00 -1.00 0.00 0.00 59.36 58.79 3kiy h GLU 22 Cb 0.13 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.35 3kiy h GLU 22 CO -0.01 -0.22 0.66 1.63 -1.00 0.00 0.00 179.01 180.07 3kiy n LYS 23 N -2.98 -0.03 0.35 2.33 5.02 -1.05 0.24 118.16 122.06 3kiy n LYS 23 Ca -0.04 0.92 -0.14 0.00 -2.02 0.00 0.00 58.31 57.02 3kiy n LYS 23 Cb 0.14 -1.81 -0.07 0.00 -0.02 0.00 0.00 35.03 33.27 3kiy n LYS 23 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3kiy h LEU 24 N 0.00 -0.78 -0.03 -0.35 5.85 -1.22 -2.72 115.31 116.07 3kiy h LEU 24 Ca 0.65 0.03 0.02 0.00 0.84 0.00 0.00 57.88 59.41 3kiy h LEU 24 Cb 2.10 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 43.28 3kiy h LEU 24 CO -0.33 -0.47 -0.47 0.58 -0.34 0.00 0.00 178.44 177.40 3kiy h VAL 25 N -1.09 0.00 -0.78 1.05 2.07 0.36 0.41 116.25 118.27 3kiy h VAL 25 Ca -0.09 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.67 3kiy h VAL 25 Cb 0.71 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.33 3kiy h VAL 25 CO 0.15 0.00 0.12 0.54 0.02 0.00 0.00 177.57 178.40 3kiy n ARG 26 N -5.06 -0.06 0.04 1.57 1.74 -0.15 0.12 116.66 114.86 3kiy n ARG 26 Ca -0.06 1.15 -0.09 0.00 -0.77 0.00 0.00 57.85 58.08 3kiy n ARG 26 Cb 0.34 -1.89 -0.07 0.00 -1.02 0.00 0.00 32.46 29.83 3kiy n ARG 26 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3kiy h GLU 27 N 0.00 -0.20 -1.02 5.56 5.08 -0.82 -3.02 114.58 120.16 3kiy h GLU 27 Ca 0.52 0.01 0.35 0.00 -1.00 0.00 0.00 59.36 59.25 3kiy h GLU 27 Cb 1.17 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 30.31 3kiy h GLU 27 CO -0.70 0.20 0.59 0.87 -1.00 0.00 0.00 179.01 178.96 3kiy h LYS 28 N -0.93 0.23 -0.30 2.33 1.79 0.41 0.28 116.57 120.39 3kiy h LYS 28 Ca -0.02 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 3kiy h LYS 28 Cb 0.49 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 3kiy h LYS 28 CO 0.03 0.15 0.06 0.87 -1.08 0.00 0.00 179.45 179.49 3kiy h LYS 29 N 0.24 0.48 0.00 3.15 1.79 0.85 -2.49 116.57 120.59 3kiy h LYS 29 Ca 0.76 -0.12 -0.04 0.00 -2.18 0.00 0.00 60.65 59.08 3kiy h LYS 29 Cb 1.86 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 32.45 3kiy h LYS 29 CO -0.62 0.57 -0.18 0.07 -1.08 0.00 0.00 179.45 178.21 3kiy h ARG 30 N 0.31 0.00 -0.05 3.15 0.11 -0.37 -0.03 114.38 117.51 3kiy h ARG 30 Ca 0.09 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.08 3kiy h ARG 30 Cb 0.31 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.38 3kiy h ARG 30 CO 0.00 0.18 -0.37 0.93 0.10 0.00 0.00 179.97 180.81 3kiy h GLU 31 N 0.00 0.10 0.51 0.08 5.08 -0.73 0.58 114.58 120.19 3kiy h GLU 31 Ca -0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3kiy h GLU 31 Cb 0.36 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3kiy h GLU 31 CO 0.02 0.46 -0.24 1.25 -1.00 0.00 0.00 179.01 179.50 3kiy h LEU 32 N 0.09 -0.57 -0.90 1.33 7.12 -0.70 -2.00 115.31 119.68 3kiy h LEU 32 Ca 0.01 0.02 0.25 0.00 0.13 0.00 0.00 57.88 58.29 3kiy h LEU 32 Cb 0.70 0.15 -0.15 0.00 -0.53 0.00 0.00 40.66 40.83 3kiy h LEU 32 CO 0.05 -0.25 0.17 -0.03 -0.13 0.00 0.00 178.44 178.26 3kiy h MET 33 N -1.01 0.13 -0.44 1.25 4.05 -1.30 1.19 114.93 118.79 3kiy h MET 33 Ca -0.07 -0.01 0.08 0.00 -0.28 0.00 0.00 59.70 59.43 3kiy h MET 33 Cb 0.52 -0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 31.22 3kiy h MET 33 CO 0.11 0.08 0.01 0.93 0.23 0.00 0.00 176.91 178.27 3kiy h GLU 34 N 0.13 0.11 -0.43 0.39 5.08 -0.75 0.23 114.58 119.35 3kiy h GLU 34 Ca 0.57 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.83 3kiy h GLU 34 Cb 1.17 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 3kiy h GLU 34 CO -0.74 0.08 -0.07 -0.07 -1.00 0.00 0.00 179.01 177.21 3kiy h LEU 35 N 0.12 0.81 -0.75 1.33 3.38 0.18 -2.13 115.31 118.25 3kiy h LEU 35 Ca 0.22 -0.34 0.14 0.00 0.09 0.00 0.00 57.88 57.98 3kiy h LEU 35 Cb 0.32 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 40.76 3kiy h LEU 35 CO -0.36 0.96 0.30 -0.09 0.09 0.00 0.00 178.44 179.34 3kiy h ARG 36 N 0.64 0.44 -0.00 1.13 2.43 0.19 2.27 114.38 121.48 3kiy h ARG 36 Ca 0.11 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.15 3kiy h ARG 36 Cb 0.59 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 3kiy h ARG 36 CO 0.04 0.29 -0.52 0.74 -1.51 0.00 0.00 179.97 179.01 3kiy h PHE 37 N 0.46 0.01 0.00 2.20 -1.00 -0.41 -2.48 116.94 115.71 3kiy h PHE 37 Ca 0.41 -0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.96 3kiy h PHE 37 Cb 0.60 -0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.12 3kiy h PHE 37 CO -0.16 0.53 -1.30 1.96 -1.61 0.00 0.00 178.31 177.73 3kiy h GLN 38 N 0.01 0.00 -0.20 1.51 4.20 -0.10 -3.09 115.11 117.43 3kiy h GLN 38 Ca -0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.71 3kiy h GLN 38 Cb 0.92 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 3kiy h GLN 38 CO 0.07 0.61 0.11 0.00 -0.67 0.00 0.00 178.83 178.95 3kiy h ALA 39 N 1.14 0.25 0.57 3.87 0.00 0.39 -2.78 119.26 122.70 3kiy h ALA 39 Ca -0.15 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3kiy h ALA 39 Cb 1.79 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.54 3kiy h ALA 39 CO 0.09 -0.30 -0.28 0.66 0.00 0.00 0.00 179.25 179.42 3kiy h SER 40 N 0.23 -0.65 0.05 0.00 4.64 -1.54 -2.73 113.55 113.55 3kiy h SER 40 Ca 0.08 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3kiy h SER 40 Cb 0.01 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3kiy h SER 40 CO -0.05 -0.33 0.00 2.30 -0.87 0.00 0.00 176.83 177.89 3kiy n ILE 41 N -5.34 0.98 0.00 0.95 -5.35 -1.17 -4.79 119.36 104.63 3kiy n ILE 41 Ca -0.12 0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.61 3kiy n ILE 41 Cb 0.34 -1.20 0.00 0.00 -1.74 0.00 0.00 39.64 37.04 3kiy n ILE 41 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kiy n GLY 42 N -1.03 1.37 3.50 3.28 0.00 -1.03 -4.89 105.19 106.40 3kiy n GLY 42 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3kiy n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kiy n GLN 43 N 0.00 0.06 -0.45 1.61 1.13 -1.26 -3.95 117.38 114.52 3kiy n GLN 43 Ca 0.00 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 3kiy n GLN 43 Cb 0.00 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 28.87 3kiy n GLN 43 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3kiy n LEU 44 N 9.20 -0.67 0.00 1.08 4.77 -1.26 -4.78 117.00 125.33 3kiy n LEU 44 Ca 0.65 0.84 0.00 0.00 -0.03 0.00 0.00 56.01 57.46 3kiy n LEU 44 Cb 0.11 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3kiy n LEU 44 CO 0.98 -0.16 0.00 -1.54 -1.33 0.00 0.00 177.39 175.34 3kiy n SER 45 N -1.64 0.00 -2.69 -1.43 3.41 -1.25 -4.25 113.62 105.76 3kiy n SER 45 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 3kiy n SER 45 Cb 0.11 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.09 3kiy n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kiy n GLN 46 N 0.00 3.02 0.00 4.33 3.00 -1.26 -5.04 117.38 121.43 3kiy n GLN 46 Ca 0.00 -3.88 0.00 0.00 -0.01 0.00 0.00 57.00 53.11 3kiy n GLN 46 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 30.24 27.98 3kiy n GLN 46 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3kiy n ASN 47 N -0.55 0.00 0.00 1.08 4.13 -1.26 -3.55 115.26 115.11 3kiy n ASN 47 Ca 0.49 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.75 3kiy n ASN 47 Cb 0.44 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.68 3kiy n ASN 47 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kiy n HIS 48 N 4.23 0.00 -0.33 3.10 1.44 -1.26 0.07 115.22 122.47 3kiy n HIS 48 Ca 0.00 0.00 0.29 0.00 -2.01 0.00 0.00 57.72 56.00 3kiy n HIS 48 Cb 0.00 -0.33 0.51 0.00 0.12 0.00 0.00 29.99 30.29 3kiy n HIS 48 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3kiy n LYS 49 N -2.64 -0.04 0.09 -1.40 4.76 -1.23 1.00 118.16 118.70 3kiy n LYS 49 Ca 0.00 1.03 -0.06 0.00 -2.87 0.00 0.00 58.31 56.42 3kiy n LYS 49 Cb 0.00 -1.97 -0.03 0.00 -1.84 0.00 0.00 35.03 31.20 3kiy n LYS 49 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3kiy h ILE 50 N 0.00 0.05 -0.20 -0.18 2.04 -0.68 -2.30 117.51 116.24 3kiy h ILE 50 Ca 0.69 -0.78 0.05 0.00 1.00 0.00 0.00 64.86 65.82 3kiy h ILE 50 Cb 2.07 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 3kiy h ILE 50 CO -0.46 0.02 -0.13 0.08 0.00 0.00 0.00 178.15 177.65 3kiy h ARG 51 N -1.08 -0.12 -0.59 2.37 0.11 -0.35 0.32 114.38 115.05 3kiy h ARG 51 Ca -0.03 0.01 0.12 0.00 0.10 0.00 0.00 59.98 60.17 3kiy h ARG 51 Cb 0.28 0.03 -0.12 0.00 1.11 0.00 0.00 29.97 31.27 3kiy h ARG 51 CO 0.06 -0.08 -0.22 -0.44 0.10 0.00 0.00 179.97 179.39 3kiy h ASP 52 N -0.12 -0.79 -0.13 0.08 3.32 0.54 -0.22 116.42 119.10 3kiy h ASP 52 Ca 0.11 0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 3kiy h ASP 52 Cb 0.29 0.45 -0.00 0.00 0.22 0.00 0.00 39.33 40.29 3kiy h ASP 52 CO -0.27 -0.25 0.01 0.25 -1.72 0.00 0.00 179.24 177.26 3kiy h LEU 53 N -0.07 0.21 -0.93 1.55 6.46 -0.94 -1.98 115.31 119.60 3kiy h LEU 53 Ca 0.27 -0.28 0.27 0.00 -0.12 0.00 0.00 57.88 58.02 3kiy h LEU 53 Cb 0.50 -0.06 -0.14 0.00 -0.73 0.00 0.00 40.66 40.23 3kiy h LEU 53 CO -0.65 0.44 0.38 0.11 -0.62 0.00 0.00 178.44 178.10 3kiy h LYS 54 N -0.03 0.26 -0.03 1.25 1.79 0.10 0.37 116.57 120.28 3kiy h LYS 54 Ca 0.04 -0.02 -0.22 0.00 -2.18 0.00 0.00 60.65 58.27 3kiy h LYS 54 Cb 0.32 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 3kiy h LYS 54 CO 0.00 0.17 -0.88 0.00 -1.08 0.00 0.00 179.45 177.67 3kiy h ARG 55 N 0.27 0.46 -0.20 3.15 3.08 -0.83 -3.12 114.38 117.19 3kiy h ARG 55 Ca 0.63 -0.46 0.03 0.00 0.07 0.00 0.00 59.98 60.25 3kiy h ARG 55 Cb 1.34 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.48 3kiy h ARG 55 CO -0.63 1.10 0.03 1.96 -1.07 0.00 0.00 179.97 181.36 3kiy h GLN 56 N 0.28 0.10 -0.88 0.04 4.20 -0.19 0.65 115.11 119.31 3kiy h GLN 56 Ca -0.07 -0.01 0.23 0.00 0.06 0.00 0.00 58.65 58.87 3kiy h GLN 56 Cb 1.50 -0.02 -0.15 0.00 0.30 0.00 0.00 27.48 29.11 3kiy h GLN 56 CO 0.16 0.07 0.20 0.82 -0.67 0.00 0.00 178.83 179.40 3kiy h ILE 57 N 0.11 0.28 0.53 2.54 1.08 -1.27 0.35 117.51 121.13 3kiy h ILE 57 Ca 0.09 -0.06 -0.03 0.00 -0.39 0.00 0.00 64.86 64.47 3kiy h ILE 57 Cb 0.09 0.09 0.01 0.00 -3.07 0.00 0.00 36.82 33.94 3kiy h ILE 57 CO -0.13 0.03 -0.26 0.00 -0.69 0.00 0.00 178.15 177.11 3kiy h ALA 58 N 1.80 -0.71 -0.92 1.87 0.00 -1.23 -1.75 119.26 118.31 3kiy h ALA 58 Ca 0.55 -0.20 0.22 0.00 0.00 0.00 0.00 54.91 55.49 3kiy h ALA 58 Cb 1.11 0.28 -0.12 0.00 0.00 0.00 0.00 17.79 19.05 3kiy h ALA 58 CO -0.68 -0.77 0.45 0.00 0.00 0.00 0.00 179.25 178.25 3kiy h ARG 59 N -0.98 0.45 -0.39 0.00 3.08 0.14 0.42 114.38 117.09 3kiy h ARG 59 Ca -0.07 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.86 3kiy h ARG 59 Cb 0.62 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3kiy h ARG 59 CO 0.12 0.29 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.12 3kiy h LEU 60 N 0.46 0.78 -1.51 3.04 3.38 -0.40 -1.63 115.31 119.43 3kiy h LEU 60 Ca 0.58 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 3kiy h LEU 60 Cb 1.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3kiy h LEU 60 CO -0.51 0.98 -0.22 -0.07 0.09 0.00 0.00 178.44 178.72 3kiy h LEU 61 N 0.57 0.00 -0.01 1.67 3.38 0.26 0.23 115.31 121.42 3kiy h LEU 61 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3kiy h LEU 61 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3kiy h LEU 61 CO 0.05 0.22 -0.04 0.74 0.09 0.00 0.00 178.44 179.50 3kiy h THR 62 N 0.00 1.53 -0.24 0.22 2.02 -0.06 -2.88 112.91 113.49 3kiy h THR 62 Ca -0.00 -1.60 0.05 0.00 0.77 0.00 0.00 66.41 65.63 3kiy h THR 62 Cb 0.55 2.59 -0.05 0.00 -1.74 0.00 0.00 68.15 69.50 3kiy h THR 62 CO 0.03 0.42 -0.08 0.58 0.37 0.00 0.00 175.52 176.84 3kiy h VAL 63 N -0.62 0.71 -0.07 3.16 2.07 -1.03 0.16 116.25 120.63 3kiy h VAL 63 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3kiy h VAL 63 Cb 0.71 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3kiy h VAL 63 CO 0.01 0.00 0.66 0.25 0.02 0.00 0.00 177.57 178.50 3kiy h LEU 64 N -0.03 0.00 0.01 2.57 7.12 -0.48 -0.34 115.31 124.16 3kiy h LEU 64 Ca 0.12 0.00 -0.26 0.00 0.13 0.00 0.00 57.88 57.87 3kiy h LEU 64 Cb 0.21 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.31 3kiy h LEU 64 CO -0.27 0.00 -1.40 0.59 -0.13 0.00 0.00 178.44 177.23 3kiy n ASN 65 N -2.79 1.88 -0.25 1.25 4.13 0.54 -3.11 115.26 116.91 3kiy n ASN 65 Ca 0.01 0.40 0.24 0.00 1.68 0.00 0.00 54.58 56.90 3kiy n ASN 65 Cb 0.70 -0.95 0.59 0.00 -1.54 0.00 0.00 39.78 38.58 3kiy n ASN 65 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 3kiy h GLU 66 N -0.92 0.26 -0.10 3.52 4.11 -0.70 0.47 114.58 121.21 3kiy h GLU 66 Ca -0.38 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.03 3kiy h GLU 66 Cb 1.38 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 3kiy h GLU 66 CO -0.21 0.17 0.05 0.87 0.07 0.00 0.00 179.01 179.96 3kiy h LYS 67 N 0.26 0.15 -4.23 1.06 1.79 -1.48 -3.35 116.57 110.77 3kiy h LYS 67 Ca 0.49 -0.03 -0.69 0.00 -2.18 0.00 0.00 60.65 58.25 3kiy h LYS 67 Cb 1.48 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 32.07 3kiy h LYS 67 CO -0.15 0.25 2.91 0.54 -1.08 0.00 0.00 179.45 181.92 3kiy n ARG 68 N -4.93 2.64 0.00 3.15 5.12 0.16 -3.59 116.66 119.22 3kiy n ARG 68 Ca -0.06 -2.53 0.00 0.00 -1.93 0.00 0.00 57.85 53.34 3kiy n ARG 68 Cb 0.10 -3.25 0.00 0.00 -1.16 0.00 0.00 32.46 28.15 3kiy n ARG 68 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3kiy n ARG 69 N 6.45 0.00 0.00 5.56 1.74 -1.26 -4.96 116.66 124.19 3kiy n ARG 69 Ca 0.51 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 3kiy n ARG 69 Cb 0.40 -0.14 0.00 0.00 -1.02 0.00 0.00 32.46 31.70 3kiy n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kiy n GLN 70 N -0.78 4.62 -1.08 5.56 0.00 -1.24 -4.96 117.38 119.50 3kiy n GLN 70 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 57.00 57.05 3kiy n GLN 70 Cb 0.00 -0.61 0.08 0.00 0.00 0.00 0.00 30.24 29.71 3kiy n GLN 70 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 3kiy n ASN 71 N -0.34 1.20 -0.47 2.61 6.94 -1.24 -5.21 115.26 118.76 3kiy n ASN 71 Ca 0.00 -2.64 0.14 0.00 -0.02 0.00 0.00 54.58 52.07 3kiy n ASN 71 Cb 0.00 -0.37 0.54 0.00 -2.36 0.00 0.00 39.78 37.59 3kiy n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23