#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kir h LEU 3 N 0.00 0.00 0.35 3.14 6.46 -2.07 -2.86 115.31 120.33 3kir h LEU 3 Ca 0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 3kir h LEU 3 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 3kir h LEU 3 CO 0.00 0.00 -0.17 -1.28 -0.62 0.00 0.00 178.44 176.37 3kir h SER 4 N 0.00 -0.40 -0.90 1.25 0.87 -2.06 -3.10 113.55 109.21 3kir h SER 4 Ca 0.00 0.00 0.26 0.00 -1.23 0.00 0.00 61.79 60.82 3kir h SER 4 Cb 0.35 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 3kir h SER 4 CO 0.00 0.05 0.65 -0.33 -0.53 0.00 0.00 176.83 176.67 3kir h GLU 5 N -1.12 0.00 0.00 2.24 5.08 -1.99 -2.41 114.58 116.39 3kir h GLU 5 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3kir h GLU 5 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3kir h GLU 5 CO 0.08 0.00 0.00 0.28 -1.00 0.00 0.00 179.01 178.37 3kir n VAL 6 N -4.26 0.00 -0.23 3.13 0.31 -1.09 -2.43 118.33 113.75 3kir n VAL 6 Ca 0.19 1.37 0.31 0.00 -0.01 0.00 0.00 64.34 66.19 3kir n VAL 6 Cb 0.97 -2.37 0.58 0.00 -0.91 0.00 0.00 33.84 32.11 3kir n VAL 6 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 3kir h ARG 7 N 0.00 0.00 -0.11 5.55 0.11 -1.36 0.43 114.38 119.00 3kir h ARG 7 Ca 0.00 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 3kir h ARG 7 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3kir h ARG 7 CO 0.00 0.00 -0.27 0.87 0.10 0.00 0.00 179.97 180.67 3kir h LYS 8 N 0.00 0.37 -0.84 0.08 1.57 -1.33 -2.79 116.57 113.62 3kir h LYS 8 Ca 0.50 -0.26 0.14 0.00 -1.87 0.00 0.00 60.65 59.16 3kir h LYS 8 Cb 2.64 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 34.90 3kir h LYS 8 CO -0.01 0.87 0.44 1.96 -0.57 0.00 0.00 179.45 182.15 3kir h GLN 9 N -0.06 0.64 0.00 3.15 4.20 0.21 1.00 115.11 124.24 3kir h GLN 9 Ca -0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3kir h GLN 9 Cb 0.88 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.52 3kir h GLN 9 CO 0.06 0.42 0.00 1.28 -0.67 0.00 0.00 178.83 179.92 3kir n LEU 10 N -4.84 0.04 -0.17 1.46 4.77 -1.18 0.50 117.00 117.58 3kir n LEU 10 Ca 0.16 0.81 0.01 0.00 -0.03 0.00 0.00 56.01 56.96 3kir n LEU 10 Cb 0.40 -0.33 0.04 0.00 -2.33 0.00 0.00 43.42 41.20 3kir n LEU 10 CO 0.22 -0.33 0.29 -0.62 -1.33 0.00 0.00 177.39 175.62 3kir n GLU 11 N -1.48 -0.08 0.07 3.23 1.02 -1.00 0.26 120.64 122.65 3kir n GLU 11 Ca 0.00 0.72 -0.03 0.00 -0.02 0.00 0.00 57.16 57.83 3kir n GLU 11 Cb 0.00 -1.07 -0.01 0.00 -0.02 0.00 0.00 31.44 30.33 3kir n GLU 11 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3kir h GLU 12 N 0.00 -0.18 -0.90 3.49 5.08 -0.73 -3.20 114.58 118.13 3kir h GLU 12 Ca 0.19 0.01 0.23 0.00 -1.00 0.00 0.00 59.36 58.79 3kir h GLU 12 Cb 0.31 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 29.47 3kir h GLU 12 CO -0.47 -0.12 0.36 0.00 -1.00 0.00 0.00 179.01 177.78 3kir h ALA 13 N -1.78 1.42 -1.17 3.43 0.00 0.17 0.60 119.26 121.93 3kir h ALA 13 Ca -0.02 0.18 0.34 0.00 0.00 0.00 0.00 54.91 55.41 3kir h ALA 13 Cb 0.15 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3kir h ALA 13 CO 0.03 -0.39 0.96 0.00 0.00 0.00 0.00 179.25 179.85 3kir h ARG 14 N 0.35 0.00 -1.16 0.00 2.47 0.35 0.21 114.38 116.60 3kir h ARG 14 Ca 0.57 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.69 3kir h ARG 14 Cb 1.11 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 29.03 3kir h ARG 14 CO -0.56 0.00 -0.50 0.36 0.56 0.00 0.00 179.97 179.82 3kir n LYS 15 N -3.89 3.40 -0.58 0.04 2.85 0.21 -4.79 118.16 115.40 3kir n LYS 15 Ca 0.26 -4.18 0.02 0.00 -1.05 0.00 0.00 58.31 53.36 3kir n LYS 15 Cb 1.33 -2.27 0.21 0.00 -0.65 0.00 0.00 35.03 33.65 3kir n LYS 15 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3kir n LEU 16 N -0.63 3.65 -1.36 -5.58 4.77 0.73 -5.04 117.00 113.54 3kir n LEU 16 Ca 0.44 -3.49 0.02 0.00 -0.03 0.00 0.00 56.01 52.95 3kir n LEU 16 Cb 0.77 -0.57 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 3kir n LEU 16 CO 0.42 1.04 -0.34 -1.54 -1.33 0.00 0.00 177.39 175.64 3kir n SER 17 N -1.01 -5.60 0.00 -1.43 3.41 -1.26 -3.66 113.62 104.07 3kir n SER 17 Ca 0.26 1.22 0.00 0.00 -0.26 0.00 0.00 58.87 60.09 3kir n SER 17 Cb 0.90 -3.93 0.00 0.00 -0.26 0.00 0.00 64.21 60.92 3kir n SER 17 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3kir n PRO 18 N -2.64 0.00 -0.04 4.33 -0.04 -1.26 -2.76 135.00 132.60 3kir n PRO 18 Ca -0.01 0.11 -0.01 0.00 -0.04 0.00 0.00 63.50 63.56 3kir n PRO 18 Cb 0.34 -0.70 -0.01 0.00 -0.04 0.00 0.00 33.50 33.09 3kir n PRO 18 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3kir n VAL 19 N -0.32 -0.06 -0.20 0.52 0.31 -1.26 0.24 118.33 117.56 3kir n VAL 19 Ca 0.00 0.84 0.14 0.00 -0.01 0.00 0.00 64.34 65.31 3kir n VAL 19 Cb 0.00 -1.10 0.26 0.00 -0.91 0.00 0.00 33.84 32.09 3kir n VAL 19 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3kir n GLU 20 N -2.88 -0.04 0.14 5.55 4.07 -1.24 0.66 120.64 126.90 3kir n GLU 20 Ca 0.00 0.88 -0.14 0.00 -0.06 0.00 0.00 57.16 57.85 3kir n GLU 20 Cb 0.02 -1.48 -0.08 0.00 -0.06 0.00 0.00 31.44 29.84 3kir n GLU 20 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3kir h LEU 21 N 0.00 -0.26 -0.55 4.31 3.38 -0.02 -2.85 115.31 119.32 3kir h LEU 21 Ca 0.44 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.45 3kir h LEU 21 Cb 1.04 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.75 3kir h LEU 21 CO -0.53 -0.10 -0.19 -0.33 0.09 0.00 0.00 178.44 177.38 3kir h GLU 22 N -0.41 -0.05 -0.50 1.13 5.08 0.23 -1.22 114.58 118.84 3kir h GLU 22 Ca -0.03 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 3kir h GLU 22 Cb 0.31 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.51 3kir h GLU 22 CO 0.05 -0.04 -0.35 0.87 -1.00 0.00 0.00 179.01 178.55 3kir h LYS 23 N -0.06 -0.06 -0.84 2.33 1.57 -1.25 -0.55 116.57 117.72 3kir h LYS 23 Ca 0.26 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.21 3kir h LYS 23 Cb 0.46 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.68 3kir h LYS 23 CO -0.60 -0.04 0.38 1.25 -0.57 0.00 0.00 179.45 179.87 3kir h LEU 24 N -0.06 0.39 0.19 2.94 5.85 -1.07 -2.61 115.31 120.93 3kir h LEU 24 Ca 0.08 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.93 3kir h LEU 24 Cb 0.27 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3kir h LEU 24 CO -0.51 0.11 -0.46 0.58 -0.34 0.00 0.00 178.44 177.83 3kir h VAL 25 N 0.50 0.10 -0.97 1.05 2.07 -0.22 0.27 116.25 119.05 3kir h VAL 25 Ca 0.48 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.17 3kir h VAL 25 Cb 0.78 0.10 -0.10 0.00 -1.52 0.00 0.00 31.29 30.55 3kir h VAL 25 CO -0.43 0.00 0.58 0.03 0.02 0.00 0.00 177.57 177.77 3kir h ARG 26 N -0.74 0.77 -0.62 1.57 3.08 -1.11 0.45 114.38 117.77 3kir h ARG 26 Ca 0.00 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 3kir h ARG 26 Cb 0.73 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 3kir h ARG 26 CO -0.22 0.51 0.02 0.93 -1.07 0.00 0.00 179.97 180.14 3kir h GLU 27 N 0.79 1.08 0.00 0.04 5.08 -0.96 -1.74 114.58 118.87 3kir h GLU 27 Ca 0.54 -0.33 -0.10 0.00 -1.00 0.00 0.00 59.36 58.47 3kir h GLU 27 Cb 0.76 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3kir h GLU 27 CO -0.35 1.04 -0.48 0.87 -1.00 0.00 0.00 179.01 179.09 3kir h LYS 28 N 0.99 0.00 -0.38 2.33 1.79 0.21 -2.74 116.57 118.77 3kir h LYS 28 Ca 0.18 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.51 3kir h LYS 28 Cb 0.53 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.17 3kir h LYS 28 CO 0.03 0.48 -0.34 0.87 -1.08 0.00 0.00 179.45 179.41 3kir h LYS 29 N 0.00 0.87 -0.01 3.15 1.79 0.26 -2.90 116.57 119.72 3kir h LYS 29 Ca -0.00 -0.42 -0.10 0.00 -2.18 0.00 0.00 60.65 57.94 3kir h LYS 29 Cb 0.88 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 3kir h LYS 29 CO 0.06 1.07 -0.48 -0.09 -1.08 0.00 0.00 179.45 178.93 3kir h ARG 30 N 0.72 0.03 0.00 3.15 2.43 -1.20 -2.06 114.38 117.46 3kir h ARG 30 Ca 0.07 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3kir h ARG 30 Cb 0.90 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.45 3kir h ARG 30 CO 0.08 0.50 -0.01 0.93 -1.51 0.00 0.00 179.97 179.97 3kir h GLU 31 N 0.03 0.00 0.03 0.20 5.08 -1.30 -0.25 114.58 118.36 3kir h GLU 31 Ca -0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3kir h GLU 31 Cb 0.86 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 3kir h GLU 31 CO 0.06 0.01 -0.33 1.25 -1.00 0.00 0.00 179.01 179.01 3kir h LEU 32 N 0.00 0.09 -1.51 1.33 6.46 -1.23 -2.57 115.31 117.87 3kir h LEU 32 Ca -0.00 -0.93 0.12 0.00 -0.12 0.00 0.00 57.88 56.94 3kir h LEU 32 Cb 0.45 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.31 3kir h LEU 32 CO 0.00 1.14 0.48 -0.03 -0.62 0.00 0.00 178.44 179.41 3kir h MET 33 N -0.88 0.51 0.61 1.25 4.05 -1.18 0.15 114.93 119.45 3kir h MET 33 Ca -0.07 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.29 3kir h MET 33 Cb 1.16 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.84 3kir h MET 33 CO 0.00 0.34 -0.44 1.49 0.23 0.00 0.00 176.91 178.53 3kir h GLU 34 N 0.53 -0.98 0.05 0.39 4.57 -1.08 -2.44 114.58 115.62 3kir h GLU 34 Ca 0.34 0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.62 3kir h GLU 34 Cb 0.61 0.22 -0.05 0.00 -0.16 0.00 0.00 28.75 29.38 3kir h GLU 34 CO -0.12 -0.65 -0.32 -0.07 -1.18 0.00 0.00 179.01 176.67 3kir h LEU 35 N -1.02 -0.94 -0.84 1.64 3.38 -0.43 -2.66 115.31 114.45 3kir h LEU 35 Ca -0.07 0.12 0.20 0.00 0.09 0.00 0.00 57.88 58.21 3kir h LEU 35 Cb 0.85 0.37 -0.12 0.00 0.09 0.00 0.00 40.66 41.84 3kir h LEU 35 CO 0.03 -0.39 0.31 0.03 0.09 0.00 0.00 178.44 178.51 3kir h ARG 36 N -0.50 0.35 0.48 1.13 3.08 -0.77 0.19 114.38 118.34 3kir h ARG 36 Ca 0.05 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3kir h ARG 36 Cb 0.56 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 3kir h ARG 36 CO -0.23 0.23 -0.29 0.74 -1.07 0.00 0.00 179.97 179.35 3kir h PHE 37 N 0.36 -0.76 0.00 3.04 -1.00 -1.09 0.68 116.94 118.16 3kir h PHE 37 Ca 0.50 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 61.26 3kir h PHE 37 Cb 0.92 0.27 -0.00 0.00 3.61 0.00 0.00 35.95 40.74 3kir h PHE 37 CO -0.19 -0.45 -0.06 1.96 -1.61 0.00 0.00 178.31 177.97 3kir h GLN 38 N -0.73 0.00 -0.00 1.51 4.20 -1.13 -0.01 115.11 118.95 3kir h GLN 38 Ca -0.06 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3kir h GLN 38 Cb 0.60 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 3kir h GLN 38 CO 0.06 0.06 0.00 0.00 -0.67 0.00 0.00 178.83 178.28 3kir h ALA 39 N 1.94 0.00 -0.08 3.87 0.00 0.17 -3.11 119.26 122.06 3kir h ALA 39 Ca -0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 3kir h ALA 39 Cb 0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kir h ALA 39 CO 0.01 -0.38 -0.75 0.66 0.00 0.00 0.00 179.25 178.79 3kir h SER 40 N -0.24 0.51 0.11 0.00 4.64 -0.28 -2.85 113.55 115.43 3kir h SER 40 Ca 0.00 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3kir h SER 40 Cb 0.24 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3kir h SER 40 CO 0.00 1.09 0.00 2.30 -0.87 0.00 0.00 176.83 179.35 3kir n ILE 41 N -3.83 1.64 0.00 0.95 -5.35 -0.07 -4.90 119.36 107.80 3kir n ILE 41 Ca -0.05 0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.92 3kir n ILE 41 Cb 0.72 -1.45 0.00 0.00 -1.74 0.00 0.00 39.64 37.17 3kir n ILE 41 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kir n GLY 42 N -1.17 1.08 3.64 3.28 0.00 -1.08 -5.03 105.19 105.91 3kir n GLY 42 Ca 0.00 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 3kir n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kir n GLN 43 N 0.00 -0.30 -2.71 1.61 6.02 -1.26 -4.59 117.38 116.15 3kir n GLN 43 Ca 0.00 -0.02 -0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3kir n GLN 43 Cb 0.00 -2.32 -0.00 0.00 1.02 0.00 0.00 30.24 28.93 3kir n GLN 43 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3kir n LEU 44 N -3.66 -7.92 0.00 1.08 4.77 -1.26 -4.73 117.00 105.28 3kir n LEU 44 Ca 0.12 1.50 0.00 0.00 -0.03 0.00 0.00 56.01 57.59 3kir n LEU 44 Cb 0.52 -3.35 0.00 0.00 -2.33 0.00 0.00 43.42 38.25 3kir n LEU 44 CO 0.49 -3.28 0.00 -1.54 -1.33 0.00 0.00 177.39 171.73 3kir n SER 45 N 0.77 0.00 -3.75 -1.43 3.41 -1.26 -4.38 113.62 106.97 3kir n SER 45 Ca -0.03 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.29 3kir n SER 45 Cb 0.04 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.85 3kir n SER 45 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3kir s GLN 46 N -0.42 1.06 0.00 4.33 -1.52 -1.26 -4.98 119.66 116.87 3kir s GLN 46 Ca 0.00 -1.60 0.00 0.00 -1.95 0.00 0.00 55.36 51.81 3kir s GLN 46 Cb 0.00 -2.27 0.00 0.00 -0.22 0.00 0.00 33.01 30.52 3kir s GLN 46 CO 0.00 -1.07 0.00 0.09 -0.25 0.00 0.00 175.29 174.06 3kir n ASN 47 N 4.15 0.00 0.00 5.90 3.02 -1.26 -3.21 115.26 123.87 3kir n ASN 47 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 3kir n ASN 47 Cb 0.38 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 3kir n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kir n HIS 48 N 2.60 0.00 -0.27 3.10 1.44 -1.26 -0.99 115.22 119.85 3kir n HIS 48 Ca 0.00 0.00 0.26 0.00 -2.01 0.00 0.00 57.72 55.97 3kir n HIS 48 Cb 0.00 -0.12 0.47 0.00 0.12 0.00 0.00 29.99 30.46 3kir n HIS 48 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3kir n LYS 49 N -0.88 -0.05 0.01 -1.40 5.02 -1.20 -0.03 118.16 119.64 3kir n LYS 49 Ca 0.00 1.15 -0.01 0.00 -2.02 0.00 0.00 58.31 57.43 3kir n LYS 49 Cb 0.00 -2.05 -0.00 0.00 -0.02 0.00 0.00 35.03 32.96 3kir n LYS 49 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3kir h ILE 50 N 0.00 0.00 -1.24 -0.18 2.04 -1.36 -1.92 117.51 114.85 3kir h ILE 50 Ca 0.69 -0.22 0.36 0.00 1.00 0.00 0.00 64.86 66.69 3kir h ILE 50 Cb 1.81 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 3kir h ILE 50 CO -0.65 0.00 0.89 0.08 0.00 0.00 0.00 178.15 178.47 3kir h ARG 51 N -0.28 0.02 -0.37 2.37 0.11 -1.68 1.87 114.38 116.42 3kir h ARG 51 Ca -0.01 -0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.04 3kir h ARG 51 Cb 0.05 -0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.11 3kir h ARG 51 CO 0.01 0.01 0.10 -0.44 0.10 0.00 0.00 179.97 179.75 3kir h ASP 52 N 0.02 0.55 -0.04 0.08 3.32 -0.51 0.19 116.42 120.04 3kir h ASP 52 Ca 0.59 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 57.38 3kir h ASP 52 Cb 2.35 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.75 3kir h ASP 52 CO -0.02 0.63 -0.14 0.25 -1.72 0.00 0.00 179.24 178.24 3kir h LEU 53 N 0.45 0.19 -0.35 1.55 6.46 0.31 -3.17 115.31 120.75 3kir h LEU 53 Ca 0.12 -0.63 0.05 0.00 -0.12 0.00 0.00 57.88 57.30 3kir h LEU 53 Cb 0.28 -0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 40.08 3kir h LEU 53 CO -0.00 0.78 -0.56 0.50 -0.62 0.00 0.00 178.44 178.55 3kir h LYS 54 N -0.39 -0.42 -0.97 1.25 3.64 0.17 0.15 116.57 119.99 3kir h LYS 54 Ca -0.01 0.03 0.25 0.00 -1.27 0.00 0.00 60.65 59.66 3kir h LYS 54 Cb 0.77 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.62 3kir h LYS 54 CO 0.03 -0.28 0.66 0.00 -2.27 0.00 0.00 179.45 177.59 3kir h ARG 55 N -0.44 0.22 -0.10 1.90 -0.00 -0.70 -1.16 114.38 114.10 3kir h ARG 55 Ca 0.07 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.52 3kir h ARG 55 Cb 0.62 -0.05 -0.00 0.00 0.00 0.00 0.00 29.97 30.53 3kir h ARG 55 CO -0.56 0.15 0.02 1.96 0.00 0.00 0.00 179.97 181.53 3kir h GLN 56 N 0.23 0.17 -0.87 0.04 4.20 -0.69 -2.44 115.11 115.75 3kir h GLN 56 Ca 0.50 -0.04 0.23 0.00 0.06 0.00 0.00 58.65 59.39 3kir h GLN 56 Cb 1.55 -0.02 -0.14 0.00 0.30 0.00 0.00 27.48 29.18 3kir h GLN 56 CO -0.14 0.37 0.27 0.82 -0.67 0.00 0.00 178.83 179.48 3kir h ILE 57 N -0.05 0.36 0.00 2.54 1.08 -0.77 0.14 117.51 120.81 3kir h ILE 57 Ca 0.03 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 3kir h ILE 57 Cb 0.28 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.11 3kir h ILE 57 CO 0.00 0.05 0.00 0.00 -0.69 0.00 0.00 178.15 177.51 3kir n ALA 58 N -2.65 -0.15 -0.17 1.87 0.00 -1.07 -1.01 120.51 117.32 3kir n ALA 58 Ca 0.21 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.73 3kir n ALA 58 Cb 0.67 0.04 0.16 0.00 0.00 0.00 0.00 19.45 20.32 3kir n ALA 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kir n ARG 59 N -1.11 -0.04 0.39 0.00 1.74 -0.71 0.19 116.66 117.12 3kir n ARG 59 Ca 0.00 0.73 -0.16 0.00 -0.77 0.00 0.00 57.85 57.65 3kir n ARG 59 Cb 0.00 -1.18 -0.08 0.00 -1.02 0.00 0.00 32.46 30.19 3kir n ARG 59 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3kir h LEU 60 N 0.00 -0.86 -0.68 0.55 3.38 -0.56 -0.65 115.31 116.49 3kir h LEU 60 Ca 0.31 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.45 3kir h LEU 60 Cb 0.67 0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.53 3kir h LEU 60 CO -0.45 -0.49 0.10 -0.07 0.09 0.00 0.00 178.44 177.61 3kir h LEU 61 N -1.25 -0.12 -0.44 1.67 3.38 0.34 0.49 115.31 119.40 3kir h LEU 61 Ca -0.10 0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.08 3kir h LEU 61 Cb 0.79 0.23 -0.09 0.00 0.09 0.00 0.00 40.66 41.67 3kir h LEU 61 CO 0.17 -0.07 -0.46 0.74 0.09 0.00 0.00 178.44 178.91 3kir h THR 62 N 0.20 0.08 -0.30 0.22 2.02 0.23 0.74 112.91 116.10 3kir h THR 62 Ca 0.37 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.54 3kir h THR 62 Cb 0.62 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3kir h THR 62 CO -0.52 0.00 0.15 0.58 0.37 0.00 0.00 175.52 176.11 3kir h VAL 63 N -0.33 1.15 -1.14 3.16 2.07 0.66 -1.60 116.25 120.22 3kir h VAL 63 Ca 0.13 -0.41 0.32 0.00 0.82 0.00 0.00 66.70 67.56 3kir h VAL 63 Cb 0.58 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 3kir h VAL 63 CO -0.60 0.15 0.80 0.25 0.02 0.00 0.00 177.57 178.19 3kir h LEU 64 N 0.36 0.15 0.12 2.57 6.46 0.17 -0.89 115.31 124.25 3kir h LEU 64 Ca 0.10 0.03 -0.16 0.00 -0.12 0.00 0.00 57.88 57.73 3kir h LEU 64 Cb 0.10 0.01 0.02 0.00 -0.73 0.00 0.00 40.66 40.06 3kir h LEU 64 CO -0.01 0.02 -0.73 0.78 -0.62 0.00 0.00 178.44 177.87 3kir h ASN 65 N 0.12 0.39 0.09 1.25 4.21 -0.01 -2.71 115.58 118.93 3kir h ASN 65 Ca 0.58 -0.95 0.00 0.00 1.21 0.00 0.00 56.30 57.14 3kir h ASN 65 Cb 2.04 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 39.12 3kir h ASN 65 CO -0.11 1.35 0.00 -1.84 -1.29 0.00 0.00 177.43 175.54 3kir n GLU 66 N -4.19 0.05 -0.04 0.81 0.28 -0.42 -2.34 120.64 114.79 3kir n GLU 66 Ca -0.14 0.27 -0.03 0.00 -0.16 0.00 0.00 57.16 57.10 3kir n GLU 66 Cb 0.78 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 32.14 3kir n GLU 66 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3kir n LYS 67 N -1.32 0.27 -0.54 3.44 4.76 -0.69 -4.37 118.16 119.71 3kir n LYS 67 Ca 0.02 0.41 0.44 0.00 -2.87 0.00 0.00 58.31 56.31 3kir n LYS 67 Cb 0.04 -1.31 0.76 0.00 -1.84 0.00 0.00 35.03 32.68 3kir n LYS 67 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kir h ARG 68 N -0.59 0.03 -2.08 1.97 2.47 -1.13 -2.28 114.38 112.78 3kir h ARG 68 Ca 0.00 -0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.59 3kir h ARG 68 Cb 0.30 -0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.57 3kir h ARG 68 CO 0.00 0.02 -0.23 0.54 0.56 0.00 0.00 179.97 180.86 3kir n ARG 69 N -4.19 1.59 0.00 0.04 1.74 -1.08 -3.23 116.66 111.53 3kir n ARG 69 Ca 0.38 -0.70 0.00 0.00 -0.77 0.00 0.00 57.85 56.76 3kir n ARG 69 Cb 1.66 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 31.35 3kir n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kir n GLN 70 N 2.33 0.00 0.00 5.56 10.64 -0.86 -5.07 117.38 129.98 3kir n GLN 70 Ca 0.30 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.47 3kir n GLN 70 Cb 0.74 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.12 3kir n GLN 70 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3kir n ASN 71 N 0.00 0.00 0.00 2.61 3.02 -1.20 -5.10 115.26 114.59 3kir n ASN 71 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3kir n ASN 71 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3kir n ASN 71 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64