#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kkc s TYR 16 N 0.00 3.43 0.21 1.08 2.02 -1.26 -5.08 117.35 117.75 1kkc s TYR 16 Ca 0.00 1.46 0.04 0.00 -0.37 0.00 0.00 57.07 58.21 1kkc s TYR 16 Cb 0.00 -2.72 -0.05 0.00 -0.40 0.00 0.00 41.96 38.79 1kkc s TYR 16 CO 0.00 0.06 -0.04 0.95 -1.57 0.00 0.00 175.55 174.96 1kkc s THR 17 N -1.95 1.14 -0.22 -0.71 -4.23 -1.26 -4.91 115.64 103.50 1kkc s THR 17 Ca 0.55 -2.05 -0.29 0.00 -1.18 0.00 0.00 61.69 58.72 1kkc s THR 17 Cb -0.12 -2.22 -0.00 0.00 1.34 0.00 0.00 72.50 71.50 1kkc s THR 17 CO 0.17 -0.43 1.17 -0.22 -0.54 0.00 0.00 174.62 174.77 1kkc s LEU 18 N -3.28 4.08 0.13 4.79 2.96 -1.26 -5.00 118.68 121.10 1kkc s LEU 18 Ca 0.25 1.44 -0.30 0.00 -0.22 0.00 0.00 54.13 55.31 1kkc s LEU 18 Cb 0.05 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.13 1kkc s LEU 18 CO 0.07 -0.79 1.12 -2.16 -1.32 0.00 0.00 176.35 173.27 1kkc s PRO 19 N 3.52 4.54 0.73 0.98 0.04 -1.26 -5.00 135.00 138.54 1kkc s PRO 19 Ca 0.50 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 63.11 1kkc s PRO 19 Cb -0.18 -3.31 0.04 0.00 0.04 0.00 0.00 34.50 31.09 1kkc s PRO 19 CO 0.13 -0.04 1.21 -2.14 0.04 0.00 0.00 177.00 176.20 1kkc s PRO 20 N 0.17 2.14 0.56 0.56 0.02 -1.26 -4.98 135.00 132.20 1kkc s PRO 20 Ca 0.52 1.78 -0.17 0.00 0.02 0.00 0.00 61.00 63.15 1kkc s PRO 20 Cb -0.29 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.35 1kkc s PRO 20 CO 0.33 -1.84 1.05 -0.51 -0.33 0.00 0.00 177.00 175.69 1kkc s LEU 21 N -5.13 3.60 0.00 -5.54 1.43 -1.26 -4.94 118.68 106.85 1kkc s LEU 21 Ca 0.75 1.83 0.09 0.00 -1.03 0.00 0.00 54.13 55.76 1kkc s LEU 21 Cb -0.30 -4.54 0.29 0.00 0.03 0.00 0.00 46.19 41.68 1kkc s LEU 21 CO 0.45 -1.01 1.22 -0.81 0.23 0.00 0.00 176.35 176.44 1kkc n PRO 22 N -1.70 1.49 -3.68 1.29 -0.04 -1.26 -4.88 135.00 126.22 1kkc n PRO 22 Ca 0.09 -0.76 -0.09 0.00 -0.04 0.00 0.00 63.50 62.70 1kkc n PRO 22 Cb 0.53 -1.19 -0.02 0.00 -0.04 0.00 0.00 33.50 32.77 1kkc n PRO 22 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1kkc s TYR 23 N -1.73 -0.33 0.66 0.54 -0.85 -1.26 -5.09 117.35 109.28 1kkc s TYR 23 Ca 0.17 -0.02 -0.18 0.00 -0.52 0.00 0.00 57.07 56.52 1kkc s TYR 23 Cb 0.09 0.65 -0.00 0.00 0.38 0.00 0.00 41.96 43.07 1kkc s TYR 23 CO 0.12 -1.08 1.27 -2.14 -1.52 0.00 0.00 175.55 172.20 1kkc s PRO 24 N -3.85 2.51 0.66 -3.49 0.02 -1.26 -4.88 135.00 124.70 1kkc s PRO 24 Ca 0.07 1.98 0.35 0.00 0.02 0.00 0.00 61.00 63.42 1kkc s PRO 24 Cb -0.04 -1.85 1.91 0.00 0.02 0.00 0.00 34.50 34.54 1kkc s PRO 24 CO -0.01 -1.61 2.10 1.88 -0.33 0.00 0.00 177.00 179.03 1kkc h TYR 25 N 0.42 0.00 -0.27 6.54 0.05 -1.98 -0.12 116.97 121.61 1kkc h TYR 25 Ca -0.50 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.28 1kkc h TYR 25 Cb 1.33 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.07 1kkc h TYR 25 CO 0.43 0.00 0.00 -0.40 -1.05 0.00 0.00 178.16 177.14 1kkc n ASP 26 N -3.10 2.74 0.26 3.88 5.75 -1.26 -4.06 116.55 120.75 1kkc n ASP 26 Ca -0.02 -1.84 0.18 0.00 -0.01 0.00 0.00 54.79 53.10 1kkc n ASP 26 Cb 0.27 -0.18 0.88 0.00 -1.03 0.00 0.00 41.12 41.06 1kkc n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kkc h ALA 27 N 2.43 1.00 -0.23 2.12 0.00 -1.35 -2.56 119.26 120.67 1kkc h ALA 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kkc h ALA 27 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1kkc h ALA 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1kkc n LEU 28 N -2.77 3.19 -4.76 0.00 4.77 -1.26 -4.28 117.00 111.88 1kkc n LEU 28 Ca -0.01 -1.30 -0.32 0.00 -0.03 0.00 0.00 56.01 54.35 1kkc n LEU 28 Cb 0.12 -0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.15 1kkc n LEU 28 CO 0.19 0.63 0.72 -1.10 -1.33 0.00 0.00 177.39 176.50 1kkc s GLN 29 N -1.63 2.46 -0.07 3.23 -0.21 -0.97 -1.58 119.66 120.90 1kkc s GLN 29 Ca 0.33 1.32 0.06 0.00 0.02 0.00 0.00 55.36 57.09 1kkc s GLN 29 Cb 0.21 -1.91 0.30 0.00 1.00 0.00 0.00 33.01 32.61 1kkc s GLN 29 CO 0.30 -1.50 1.04 -0.35 -2.12 0.00 0.00 175.29 172.66 1kkc n PRO 30 N -2.98 2.31 0.04 2.91 -0.04 -1.26 -4.84 135.00 131.13 1kkc n PRO 30 Ca 0.10 -1.18 -0.11 0.00 -0.04 0.00 0.00 63.50 62.27 1kkc n PRO 30 Cb 0.52 -1.65 -0.13 0.00 -0.04 0.00 0.00 33.50 32.20 1kkc n PRO 30 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1kkc h TYR 31 N 1.59 0.16 -3.08 0.54 0.05 -1.64 -3.44 116.97 111.17 1kkc h TYR 31 Ca 0.00 -0.12 -0.40 0.00 0.05 0.00 0.00 58.73 58.26 1kkc h TYR 31 Cb 0.90 -0.01 -0.39 0.00 1.01 0.00 0.00 36.73 38.25 1kkc h TYR 31 CO 0.37 1.13 -0.72 0.42 -1.05 0.00 0.00 178.16 178.31 1kkc s ILE 32 N -2.65 -0.14 0.74 -2.88 1.01 -0.93 -4.82 121.20 111.53 1kkc s ILE 32 Ca -0.04 0.09 -0.15 0.00 0.00 0.00 0.00 60.65 60.55 1kkc s ILE 32 Cb 0.08 -0.42 0.03 0.00 0.01 0.00 0.00 42.46 42.17 1kkc s ILE 32 CO 0.83 -0.08 1.13 -1.54 0.00 0.00 0.00 174.94 175.29 1kkc n SER 33 N 5.30 1.05 -0.24 3.58 3.41 -1.26 -3.25 113.62 122.21 1kkc n SER 33 Ca -0.05 0.67 -0.01 0.00 -0.26 0.00 0.00 58.87 59.21 1kkc n SER 33 Cb 0.49 -1.48 0.19 0.00 -0.26 0.00 0.00 64.21 63.15 1kkc n SER 33 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1kkc h GLN 34 N -0.36 1.05 -0.08 4.33 4.15 -1.90 -2.54 115.11 119.76 1kkc h GLN 34 Ca -0.48 -0.11 0.02 0.00 0.77 0.00 0.00 58.65 58.86 1kkc h GLN 34 Cb 1.32 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.77 1kkc h GLN 34 CO 0.48 0.75 -0.07 0.37 -1.93 0.00 0.00 178.83 178.43 1kkc h GLN 35 N 1.06 -0.08 0.12 1.69 4.15 -1.91 -1.59 115.11 118.55 1kkc h GLN 35 Ca 0.27 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.70 1kkc h GLN 35 Cb -0.00 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1kkc h GLN 35 CO -0.05 -0.05 -0.09 0.82 -1.93 0.00 0.00 178.83 177.53 1kkc h ILE 36 N -0.08 0.79 -0.63 2.39 2.04 -1.87 -1.89 117.51 118.27 1kkc h ILE 36 Ca 0.06 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.02 1kkc h ILE 36 Cb 0.17 0.79 -0.08 0.00 -0.74 0.00 0.00 36.82 36.96 1kkc h ILE 36 CO -0.13 0.00 0.21 0.24 0.00 0.00 0.00 178.15 178.47 1kkc h MET 37 N -0.22 0.37 0.19 2.37 2.86 -1.28 0.97 114.93 120.19 1kkc h MET 37 Ca -0.00 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1kkc h MET 37 Cb 0.20 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1kkc h MET 37 CO -0.01 0.24 -0.09 0.93 1.06 0.00 0.00 176.91 179.04 1kkc h GLU 38 N 0.38 -0.25 -0.01 1.72 5.08 -1.07 -0.23 114.58 120.20 1kkc h GLU 38 Ca 0.32 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1kkc h GLU 38 Cb 0.43 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1kkc h GLU 38 CO -0.34 -0.07 0.00 -0.07 -1.00 0.00 0.00 179.01 177.53 1kkc h LEU 39 N -0.38 0.01 -0.94 1.33 3.38 -0.82 0.28 115.31 118.17 1kkc h LEU 39 Ca -0.03 -0.12 0.12 0.00 0.09 0.00 0.00 57.88 57.95 1kkc h LEU 39 Cb 0.29 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 1kkc h LEU 39 CO 0.04 0.12 0.57 -0.74 0.09 0.00 0.00 178.44 178.53 1kkc h HIS 40 N -0.11 1.03 0.00 1.13 2.76 0.10 0.92 115.15 120.98 1kkc h HIS 40 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1kkc h HIS 40 Cb 0.12 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.76 1kkc h HIS 40 CO -0.04 0.38 -0.12 1.25 -1.30 0.00 0.00 177.93 178.10 1kkc h HIS 41 N 0.89 0.00 0.00 5.26 -0.00 -0.87 -0.77 115.15 119.66 1kkc h HIS 41 Ca 0.48 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.80 1kkc h HIS 41 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.91 1kkc h HIS 41 CO -0.03 0.00 -0.22 0.87 -0.00 0.00 0.00 177.93 178.55 1kkc h LYS 42 N -0.71 0.00 0.00 5.26 1.57 -0.50 -2.71 116.57 119.48 1kkc h LYS 42 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1kkc h LYS 42 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1kkc h LYS 42 CO 0.00 0.22 -0.05 1.63 -0.57 0.00 0.00 179.45 180.68 1kkc n LYS 43 N -3.88 0.03 0.27 3.15 4.76 0.23 -4.36 118.16 118.37 1kkc n LYS 43 Ca -0.02 0.01 -0.16 0.00 -2.87 0.00 0.00 58.31 55.27 1kkc n LYS 43 Cb 0.31 -0.44 -0.08 0.00 -1.84 0.00 0.00 35.03 32.98 1kkc n LYS 43 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1kkc h HIS 44 N -0.05 -0.81 -0.62 2.13 3.86 -1.35 -0.36 115.15 117.94 1kkc h HIS 44 Ca 0.00 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1kkc h HIS 44 Cb 0.05 0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.79 1kkc h HIS 44 CO -0.02 -0.46 0.25 1.25 0.86 0.00 0.00 177.93 179.80 1kkc h HIS 45 N -0.74 0.93 -0.64 2.45 -0.00 -1.13 -2.45 115.15 113.58 1kkc h HIS 45 Ca -0.05 -0.07 0.09 0.00 -0.00 0.00 0.00 60.37 60.34 1kkc h HIS 45 Cb 0.62 -0.28 -0.07 0.00 -0.00 0.00 0.00 27.41 27.68 1kkc h HIS 45 CO -0.12 0.74 0.29 0.37 -0.00 0.00 0.00 177.93 179.21 1kkc h GLN 46 N 0.86 0.49 -0.51 5.26 5.75 -1.34 -1.11 115.11 124.50 1kkc h GLN 46 Ca 0.21 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.71 1kkc h GLN 46 Cb 0.20 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.60 1kkc h GLN 46 CO -0.02 0.32 0.28 1.15 -2.65 0.00 0.00 178.83 177.92 1kkc h THR 47 N 0.50 1.00 -0.37 2.39 2.02 -0.64 0.57 112.91 118.40 1kkc h THR 47 Ca 0.31 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 67.27 1kkc h THR 47 Cb 0.34 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 1kkc h THR 47 CO -0.27 0.10 0.06 1.88 0.37 0.00 0.00 175.52 177.66 1kkc h TYR 48 N 0.55 0.56 -0.31 3.16 0.05 -0.86 0.11 116.97 120.23 1kkc h TYR 48 Ca 0.22 -0.04 -0.05 0.00 0.05 0.00 0.00 58.73 58.91 1kkc h TYR 48 Cb 0.09 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 1kkc h TYR 48 CO -0.09 0.51 0.01 0.28 -1.05 0.00 0.00 178.16 177.82 1kkc h VAL 49 N 0.53 1.25 -0.27 -2.88 2.07 -0.20 -0.43 116.25 116.32 1kkc h VAL 49 Ca 0.12 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 1kkc h VAL 49 Cb 0.25 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1kkc h VAL 49 CO 0.00 0.30 -0.04 0.78 0.02 0.00 0.00 177.57 178.63 1kkc h ASN 50 N 0.33 0.49 0.01 0.57 -0.26 -0.49 -2.46 115.58 113.78 1kkc h ASN 50 Ca 0.09 -0.34 -0.03 0.00 -0.56 0.00 0.00 56.30 55.45 1kkc h ASN 50 Cb 0.42 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 1kkc h ASN 50 CO 0.01 0.72 -0.08 1.23 -1.06 0.00 0.00 177.43 178.25 1kkc h GLY 51 N 0.26 0.19 0.53 2.83 0.00 -0.72 -1.85 103.07 104.32 1kkc h GLY 51 Ca 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 1kkc h GLY 51 CO 0.02 0.10 -0.00 -2.00 0.00 0.00 0.00 176.54 174.65 1kkc h LEU 52 N 0.18 -0.01 -0.19 3.11 5.85 -0.90 -0.26 115.31 123.08 1kkc h LEU 52 Ca 0.04 -0.46 0.02 0.00 0.84 0.00 0.00 57.88 58.32 1kkc h LEU 52 Cb 0.26 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1kkc h LEU 52 CO 0.01 0.45 0.06 0.78 -0.34 0.00 0.00 178.44 179.41 1kkc h ASN 53 N -0.48 0.07 -0.31 1.25 2.35 -1.28 0.14 115.58 117.32 1kkc h ASN 53 Ca -0.00 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1kkc h ASN 53 Cb 0.47 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 1kkc h ASN 53 CO 0.00 0.07 0.11 0.00 -1.65 0.00 0.00 177.43 175.96 1kkc h ALA 54 N 1.12 1.48 -0.07 -0.83 0.00 -1.37 -1.46 119.26 118.14 1kkc h ALA 54 Ca 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1kkc h ALA 54 Cb 0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1kkc h ALA 54 CO -0.08 0.39 -0.04 0.00 0.00 0.00 0.00 179.25 179.51 1kkc h ALA 55 N 1.58 0.10 -0.04 0.00 0.00 -0.35 -2.73 119.26 117.81 1kkc h ALA 55 Ca 0.13 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1kkc h ALA 55 Cb 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1kkc h ALA 55 CO -0.01 -0.14 -0.14 -0.07 0.00 0.00 0.00 179.25 178.89 1kkc h LEU 56 N -0.25 0.05 -0.67 0.00 3.38 -0.79 -1.75 115.31 115.28 1kkc h LEU 56 Ca 0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1kkc h LEU 56 Cb 0.50 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1kkc h LEU 56 CO 0.01 0.20 0.21 -0.08 0.09 0.00 0.00 178.44 178.88 1kkc h GLU 57 N 0.06 1.05 -0.05 1.13 4.57 -1.17 -2.14 114.58 118.01 1kkc h GLU 57 Ca 0.01 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 57.96 1kkc h GLU 57 Cb 0.29 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1kkc h GLU 57 CO 0.02 0.91 0.00 0.00 -1.18 0.00 0.00 179.01 178.76 1kkc h ALA 58 N 1.09 0.07 -0.20 2.92 0.00 -1.03 -2.69 119.26 119.42 1kkc h ALA 58 Ca 0.22 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1kkc h ALA 58 Cb 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1kkc h ALA 58 CO -0.01 -0.26 0.15 0.37 0.00 0.00 0.00 179.25 179.51 1kkc h GLN 59 N -0.19 0.00 0.44 0.00 4.15 -1.28 0.15 115.11 118.37 1kkc h GLN 59 Ca 0.02 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1kkc h GLN 59 Cb 0.32 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.02 1kkc h GLN 59 CO 0.00 0.00 -0.21 -0.22 -1.93 0.00 0.00 178.83 176.47 1kkc h LYS 60 N 0.00 -0.56 -0.79 1.69 3.64 -1.14 -1.84 116.57 117.57 1kkc h LYS 60 Ca 0.10 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.55 1kkc h LYS 60 Cb 0.40 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 1kkc h LYS 60 CO -0.00 -0.38 0.52 0.87 -2.27 0.00 0.00 179.45 178.19 1kkc h LYS 61 N -0.95 0.93 -0.59 1.90 1.79 -1.29 -1.10 116.57 117.25 1kkc h LYS 61 Ca -0.06 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.32 1kkc h LYS 61 Cb 0.45 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 30.86 1kkc h LYS 61 CO 0.10 0.61 0.24 0.00 -1.08 0.00 0.00 179.45 179.32 1kkc h ALA 62 N 1.54 1.32 -0.14 3.86 0.00 -0.75 -1.74 119.26 123.35 1kkc h ALA 62 Ca 0.31 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.88 1kkc h ALA 62 Cb 0.06 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.62 1kkc h ALA 62 CO -0.09 0.51 -0.69 0.00 0.00 0.00 0.00 179.25 178.97 1kkc h ALA 63 N 1.43 0.27 0.00 0.00 0.00 -0.35 -1.65 119.26 118.95 1kkc h ALA 63 Ca 0.20 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1kkc h ALA 63 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1kkc h ALA 63 CO -0.02 0.59 0.00 0.39 0.00 0.00 0.00 179.25 180.21 1kkc n GLU 64 N -4.03 0.16 0.00 0.00 1.02 -0.56 -1.66 120.64 115.56 1kkc n GLU 64 Ca -0.08 0.40 0.11 0.00 -0.02 0.00 0.00 57.16 57.58 1kkc n GLU 64 Cb 0.70 -1.81 0.05 0.00 -0.02 0.00 0.00 31.44 30.36 1kkc n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kkc n ALA 65 N -1.72 3.00 -2.95 0.62 0.00 -0.68 -4.96 120.51 113.82 1kkc n ALA 65 Ca 0.02 -0.67 -0.22 0.00 0.00 0.00 0.00 53.44 52.57 1kkc n ALA 65 Cb 0.21 -0.80 0.03 0.00 0.00 0.00 0.00 19.45 18.89 1kkc n ALA 65 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1kkc n THR 66 N 0.68 -1.89 -3.38 0.00 -1.04 -0.66 -4.93 114.28 103.06 1kkc n THR 66 Ca 0.12 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.68 1kkc n THR 66 Cb 0.54 -3.42 -0.02 0.00 -1.82 0.00 0.00 70.33 65.61 1kkc n THR 66 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1kkc s ASP 67 N -2.63 6.77 0.20 8.00 -1.08 -0.64 -4.91 116.67 122.38 1kkc s ASP 67 Ca 0.27 -3.03 -0.11 0.00 -0.52 0.00 0.00 52.55 49.16 1kkc s ASP 67 Cb -0.12 -2.17 0.14 0.00 -1.46 0.00 0.00 42.92 39.31 1kkc s ASP 67 CO 0.33 -0.45 1.86 0.58 0.52 0.00 0.00 175.17 178.02 1kkc h VAL 68 N 4.44 1.19 -0.76 1.11 2.07 -1.92 -0.88 116.25 121.50 1kkc h VAL 68 Ca 0.12 -0.38 0.11 0.00 0.82 0.00 0.00 66.70 67.37 1kkc h VAL 68 Cb 0.97 0.17 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 1kkc h VAL 68 CO 0.83 0.19 0.39 -0.65 0.02 0.00 0.00 177.57 178.35 1kkc h PRO 69 N 0.97 0.61 -0.18 1.57 0.11 -1.97 0.17 132.00 133.28 1kkc h PRO 69 Ca 0.26 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.15 1kkc h PRO 69 Cb -0.08 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 30.89 1kkc h PRO 69 CO -0.05 0.41 -0.63 -0.22 -0.21 0.00 0.00 178.00 177.29 1kkc h LYS 70 N 0.63 0.64 -0.72 1.05 1.63 -1.85 -2.03 116.57 115.93 1kkc h LYS 70 Ca 0.38 -0.45 0.01 0.00 -0.85 0.00 0.00 60.65 59.74 1kkc h LYS 70 Cb 0.43 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.09 1kkc h LYS 70 CO -0.29 1.07 0.47 -0.07 -3.45 0.00 0.00 179.45 177.18 1kkc h LEU 71 N 0.47 0.81 -0.38 5.20 3.38 -0.18 -2.33 115.31 122.28 1kkc h LEU 71 Ca -0.01 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 1kkc h LEU 71 Cb 1.21 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1kkc h LEU 71 CO 0.12 0.58 -0.78 0.58 0.09 0.00 0.00 178.44 179.03 1kkc h VAL 72 N 0.96 1.42 -0.19 1.22 2.07 -0.98 -3.24 116.25 117.50 1kkc h VAL 72 Ca 0.27 -2.31 -0.05 0.00 0.82 0.00 0.00 66.70 65.42 1kkc h VAL 72 Cb -0.09 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1kkc h VAL 72 CO -0.07 0.68 -0.12 0.77 0.02 0.00 0.00 177.57 178.86 1kkc h SER 73 N 0.19 0.29 1.63 0.57 4.64 -0.96 -2.45 113.55 117.46 1kkc h SER 73 Ca -0.04 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1kkc h SER 73 Cb 1.37 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1kkc h SER 73 CO 0.13 0.45 0.00 1.62 -0.87 0.00 0.00 176.83 178.15 1kkc h VAL 74 N 0.29 0.00 -0.75 0.95 3.04 -1.46 -3.34 116.25 114.99 1kkc h VAL 74 Ca 0.06 -0.66 0.17 0.00 -1.01 0.00 0.00 66.70 65.25 1kkc h VAL 74 Cb 0.39 1.65 -0.13 0.00 -2.01 0.00 0.00 31.29 31.20 1kkc h VAL 74 CO 0.02 0.00 0.00 -0.61 -1.01 0.00 0.00 177.57 175.97 1kkc h GLN 75 N 0.00 0.10 -0.69 4.17 -0.00 -1.47 -1.36 115.11 115.86 1kkc h GLN 75 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.63 1kkc h GLN 75 Cb 0.81 -0.02 -0.03 0.00 0.00 0.00 0.00 27.48 28.24 1kkc h GLN 75 CO 0.00 0.07 0.38 0.37 0.00 0.00 0.00 178.83 179.64 1kkc h GLN 76 N 0.10 0.95 -0.53 1.69 5.75 -1.75 -1.26 115.11 120.06 1kkc h GLN 76 Ca 0.41 -0.11 -0.08 0.00 -0.15 0.00 0.00 58.65 58.72 1kkc h GLN 76 Cb 0.71 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 1kkc h GLN 76 CO -0.66 0.71 0.02 0.00 -2.65 0.00 0.00 178.83 176.26 1kkc h ALA 77 N 1.19 1.04 -0.53 3.38 0.00 -1.52 0.42 119.26 123.25 1kkc h ALA 77 Ca 0.24 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1kkc h ALA 77 Cb 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1kkc h ALA 77 CO -0.04 0.60 -0.14 0.82 0.00 0.00 0.00 179.25 180.49 1kkc h ILE 78 N 0.82 1.27 -0.23 0.00 2.04 -0.97 -0.98 117.51 119.45 1kkc h ILE 78 Ca 0.16 -1.31 -0.09 0.00 1.00 0.00 0.00 64.86 64.63 1kkc h ILE 78 Cb 0.46 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1kkc h ILE 78 CO 0.02 0.46 -0.19 0.50 0.00 0.00 0.00 178.15 178.94 1kkc h LYS 79 N 0.90 0.54 0.19 2.37 3.64 -0.92 0.16 116.57 123.45 1kkc h LYS 79 Ca 0.13 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1kkc h LYS 79 Cb 0.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1kkc h LYS 79 CO 0.06 0.85 -0.09 0.35 -2.27 0.00 0.00 179.45 178.34 1kkc h PHE 80 N 0.24 -0.24 -0.15 1.91 3.57 -0.91 -0.80 116.94 120.57 1kkc h PHE 80 Ca 0.04 -0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.33 1kkc h PHE 80 Cb 0.73 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.55 1kkc h PHE 80 CO 0.07 0.13 -0.73 -0.91 -2.23 0.00 0.00 178.31 174.64 1kkc h ASN 81 N -0.66 0.80 -0.38 0.41 4.21 -1.28 -0.27 115.58 118.41 1kkc h ASN 81 Ca -0.03 -0.51 -0.04 0.00 1.21 0.00 0.00 56.30 56.93 1kkc h ASN 81 Cb 0.47 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 37.42 1kkc h ASN 81 CO 0.04 1.29 0.08 1.23 -1.29 0.00 0.00 177.43 178.78 1kkc h GLY 82 N 0.80 0.67 1.06 2.83 0.00 -0.76 0.75 103.07 108.42 1kkc h GLY 82 Ca -0.04 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 1kkc h GLY 82 CO 0.14 0.40 0.20 -1.33 0.00 0.00 0.00 176.54 175.95 1kkc h GLY 83 N 0.48 1.22 0.93 4.60 0.00 -1.15 -0.81 103.07 108.34 1kkc h GLY 83 Ca 0.12 -0.74 0.02 0.00 0.00 0.00 0.00 47.33 46.73 1kkc h GLY 83 CO 0.00 0.69 0.62 -1.33 0.00 0.00 0.00 176.54 176.53 1kkc h GLY 84 N 1.07 1.37 1.06 4.60 0.00 -0.56 0.03 103.07 110.63 1kkc h GLY 84 Ca 0.23 -0.48 -0.14 0.00 0.00 0.00 0.00 47.33 46.94 1kkc h GLY 84 CO -0.00 0.44 -0.31 0.84 0.00 0.00 0.00 176.54 177.51 1kkc h HIS 85 N 1.24 1.01 0.15 5.60 6.17 -0.37 -2.68 115.15 126.26 1kkc h HIS 85 Ca 0.37 -0.29 -0.01 0.00 0.71 0.00 0.00 60.37 61.15 1kkc h HIS 85 Cb -0.06 -0.22 0.00 0.00 2.52 0.00 0.00 27.41 29.65 1kkc h HIS 85 CO -0.01 1.08 -0.07 0.82 0.71 0.00 0.00 177.93 180.47 1kkc h ILE 86 N 0.64 0.95 -0.13 6.26 2.04 -0.62 -1.87 117.51 124.79 1kkc h ILE 86 Ca 0.06 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 1kkc h ILE 86 Cb 0.89 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1kkc h ILE 86 CO 0.08 0.10 0.08 0.78 0.00 0.00 0.00 178.15 179.18 1kkc h ASN 87 N -0.39 0.16 -0.52 1.72 2.35 -1.07 -1.99 115.58 115.84 1kkc h ASN 87 Ca -0.02 -0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.56 1kkc h ASN 87 Cb 0.31 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1kkc h ASN 87 CO 0.03 0.18 -0.06 0.45 -1.65 0.00 0.00 177.43 176.38 1kkc h HIS 88 N 0.13 1.07 -0.71 1.19 3.86 -1.54 0.01 115.15 119.15 1kkc h HIS 88 Ca 0.05 -0.21 0.05 0.00 -1.16 0.00 0.00 60.37 59.10 1kkc h HIS 88 Cb 0.05 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.21 1kkc h HIS 88 CO -0.05 1.00 0.47 0.77 0.86 0.00 0.00 177.93 180.98 1kkc h SER 89 N 0.83 0.70 0.28 2.45 0.02 -1.20 -0.97 113.55 115.66 1kkc h SER 89 Ca 0.14 -0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.87 1kkc h SER 89 Cb 0.61 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1kkc h SER 89 CO 0.04 0.47 -0.89 -0.07 -1.14 0.00 0.00 176.83 175.24 1kkc h LEU 90 N 0.80 0.56 0.43 5.07 3.38 -1.04 -3.26 115.31 121.25 1kkc h LEU 90 Ca 0.29 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1kkc h LEU 90 Cb 0.15 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1kkc h LEU 90 CO -0.09 1.21 -0.26 0.15 0.09 0.00 0.00 178.44 179.53 1kkc h PHE 91 N 0.26 -0.69 -0.89 1.13 3.57 0.25 -0.56 116.94 120.01 1kkc h PHE 91 Ca -0.07 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.55 1kkc h PHE 91 Cb 1.51 0.25 -0.09 0.00 2.79 0.00 0.00 35.95 40.41 1kkc h PHE 91 CO 0.06 -0.41 0.50 -1.49 -2.23 0.00 0.00 178.31 174.74 1kkc h TRP 92 N -0.67 0.90 0.00 0.41 -0.00 -1.37 -1.47 115.95 113.75 1kkc h TRP 92 Ca -0.05 0.03 -0.06 0.00 -0.00 0.00 0.00 58.89 58.81 1kkc h TRP 92 Cb 0.55 -0.27 -0.01 0.00 -0.00 0.00 0.00 29.16 29.43 1kkc h TRP 92 CO -0.09 0.29 -0.30 0.87 -0.00 0.00 0.00 178.44 179.20 1kkc h LYS 93 N 0.76 0.00 -1.00 0.49 1.57 -1.51 -3.10 116.57 113.78 1kkc h LYS 93 Ca 0.46 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.75 1kkc h LYS 93 Cb 0.56 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.58 1kkc h LYS 93 CO -0.31 0.30 0.63 0.27 -0.57 0.00 0.00 179.45 179.77 1kkc n ASN 94 N -3.37 3.82 -4.19 0.86 0.23 -0.25 -4.79 115.26 107.57 1kkc n ASN 94 Ca 0.01 -3.53 -0.18 0.00 -0.53 0.00 0.00 54.58 50.34 1kkc n ASN 94 Cb 0.51 -0.83 -0.12 0.00 -2.08 0.00 0.00 39.78 37.27 1kkc n ASN 94 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1kkc s LEU 95 N -3.15 2.31 -0.20 -4.53 1.43 -1.16 -1.36 118.68 112.03 1kkc s LEU 95 Ca 0.54 -0.67 -0.28 0.00 -1.03 0.00 0.00 54.13 52.69 1kkc s LEU 95 Cb 0.46 -0.51 0.12 0.00 0.03 0.00 0.00 46.19 46.29 1kkc s LEU 95 CO 0.10 -0.10 0.99 0.00 0.23 0.00 0.00 176.35 177.57 1kkc s ALA 96 N -1.54 -1.94 0.68 4.21 0.00 0.67 -4.50 121.76 119.34 1kkc s ALA 96 Ca 0.01 1.68 -0.17 0.00 0.00 0.00 0.00 51.96 53.49 1kkc s ALA 96 Cb -0.08 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 22.10 1kkc s ALA 96 CO 0.02 -0.28 1.22 -1.25 0.00 0.00 0.00 175.76 175.47 1kkc s PRO 97 N -0.59 2.46 0.17 0.00 0.04 -1.26 -3.82 135.00 132.00 1kkc s PRO 97 Ca -0.00 1.82 -0.15 0.00 0.04 0.00 0.00 61.00 62.71 1kkc s PRO 97 Cb -0.02 -1.86 0.13 0.00 0.04 0.00 0.00 34.50 32.79 1kkc s PRO 97 CO -0.01 -1.61 1.72 0.93 0.04 0.00 0.00 177.00 178.07 1kkc h GLU 98 N 0.18 0.19 0.00 4.56 5.08 -1.78 -0.09 114.58 122.72 1kkc h GLU 98 Ca -0.49 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1kkc h GLU 98 Cb 1.30 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1kkc h GLU 98 CO 0.52 0.13 0.00 0.36 -1.00 0.00 0.00 179.01 179.01 1kkc n LYS 99 N -5.12 0.45 -1.57 2.33 2.85 -1.26 -2.50 118.16 113.34 1kkc n LYS 99 Ca 0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 1kkc n LYS 99 Cb 0.21 -1.20 0.08 0.00 -0.65 0.00 0.00 35.03 33.47 1kkc n LYS 99 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1kkc n SER 100 N -0.70 1.81 0.00 -5.58 7.64 -0.28 -4.96 113.62 111.55 1kkc n SER 100 Ca 0.04 -2.76 0.00 0.00 1.01 0.00 0.00 58.87 57.16 1kkc n SER 100 Cb 0.02 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1kkc n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kkc n GLY 101 N -0.31 0.61 3.71 0.23 0.00 -1.04 -4.73 105.19 103.66 1kkc n GLY 101 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1kkc n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kkc n GLY 102 N -2.00 1.56 2.92 -0.02 0.00 -0.21 -1.46 105.19 105.98 1kkc n GLY 102 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1kkc n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kkc n GLY 103 N 4.01 0.56 3.37 -0.02 0.00 0.12 -4.41 105.19 108.83 1kkc n GLY 103 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1kkc n GLY 103 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1kkc n LYS 104 N -1.92 3.34 -0.04 1.61 4.76 -0.53 -4.83 118.16 120.54 1kkc n LYS 104 Ca 0.00 -3.60 0.23 0.00 -2.87 0.00 0.00 58.31 52.06 1kkc n LYS 104 Cb 0.06 -3.15 0.70 0.00 -1.84 0.00 0.00 35.03 30.81 1kkc n LYS 104 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 1kkc h ILE 105 N 4.69 0.66 0.00 -0.18 6.09 -1.91 -0.40 117.51 126.47 1kkc h ILE 105 Ca 0.37 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.86 1kkc h ILE 105 Cb 0.82 0.68 0.00 0.00 0.47 0.00 0.00 36.82 38.79 1kkc h ILE 105 CO 1.39 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 176.94 1kkc n ASP 106 N -4.31 0.00 -0.74 2.19 8.00 -1.26 -1.91 116.55 118.52 1kkc n ASP 106 Ca 0.12 -0.21 0.08 0.00 0.71 0.00 0.00 54.79 55.49 1kkc n ASP 106 Cb 0.71 -0.17 0.23 0.00 -0.02 0.00 0.00 41.12 41.86 1kkc n ASP 106 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kkc n GLN 107 N -1.17 1.93 -3.12 -1.24 6.02 -0.16 -4.13 117.38 115.51 1kkc n GLN 107 Ca 0.10 -1.44 -0.23 0.00 -0.01 0.00 0.00 57.00 55.43 1kkc n GLN 107 Cb 0.11 -1.35 -0.04 0.00 1.02 0.00 0.00 30.24 29.98 1kkc n GLN 107 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1kkc n ALA 108 N 0.66 3.19 -0.20 -1.58 0.00 -0.80 -4.32 120.51 117.47 1kkc n ALA 108 Ca 0.15 -3.99 -0.05 0.00 0.00 0.00 0.00 53.44 49.54 1kkc n ALA 108 Cb 0.36 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1kkc n ALA 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1kkc h PRO 109 N 3.20 -0.16 -0.11 0.00 0.11 -1.78 0.24 132.00 133.50 1kkc h PRO 109 Ca 0.12 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 1kkc h PRO 109 Cb 0.76 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 1kkc h PRO 109 CO 0.64 -0.11 0.04 0.28 -0.21 0.00 0.00 178.00 178.64 1kkc h VAL 110 N -0.17 1.17 -0.42 3.15 2.07 -1.96 -2.03 116.25 118.06 1kkc h VAL 110 Ca 0.23 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 1kkc h VAL 110 Cb 0.55 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1kkc h VAL 110 CO -0.68 0.15 0.09 0.25 0.02 0.00 0.00 177.57 177.40 1kkc h LEU 111 N -0.00 0.66 -0.32 2.57 5.85 -1.83 -2.00 115.31 120.24 1kkc h LEU 111 Ca 0.04 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.54 1kkc h LEU 111 Cb 0.21 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1kkc h LEU 111 CO -0.00 0.73 0.14 0.50 -0.34 0.00 0.00 178.44 179.47 1kkc h LYS 112 N 0.55 0.28 -0.68 1.25 3.64 -0.49 0.69 116.57 121.81 1kkc h LYS 112 Ca 0.13 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1kkc h LYS 112 Cb 0.34 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 1kkc h LYS 112 CO 0.00 0.19 0.42 0.00 -2.27 0.00 0.00 179.45 177.79 1kkc h ALA 113 N 1.18 0.90 -0.49 5.00 0.00 -1.24 0.45 119.26 125.07 1kkc h ALA 113 Ca 0.14 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1kkc h ALA 113 Cb 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1kkc h ALA 113 CO -0.12 0.16 -0.02 0.00 0.00 0.00 0.00 179.25 179.27 1kkc h ALA 114 N 1.31 1.04 -0.39 0.00 0.00 -0.69 -1.45 119.26 119.09 1kkc h ALA 114 Ca 0.29 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1kkc h ALA 114 Cb 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1kkc h ALA 114 CO -0.13 0.59 0.00 0.82 0.00 0.00 0.00 179.25 180.53 1kkc h ILE 115 N 0.77 1.26 -0.89 0.00 2.04 -0.14 -1.14 117.51 119.40 1kkc h ILE 115 Ca 0.15 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 1kkc h ILE 115 Cb 0.49 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 1kkc h ILE 115 CO 0.02 0.34 0.54 -0.33 0.00 0.00 0.00 178.15 178.73 1kkc h GLU 116 N 0.52 1.20 -0.41 2.37 5.08 -0.66 0.54 114.58 123.22 1kkc h GLU 116 Ca 0.11 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1kkc h GLU 116 Cb 0.47 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1kkc h GLU 116 CO 0.02 0.84 -0.18 1.96 -1.00 0.00 0.00 179.01 180.65 1kkc h GLN 117 N 1.23 0.78 0.00 2.33 1.08 -1.00 0.47 115.11 120.01 1kkc h GLN 117 Ca 0.32 -0.29 -0.07 0.00 -1.45 0.00 0.00 58.65 57.16 1kkc h GLN 117 Cb -0.06 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 27.32 1kkc h GLN 117 CO -0.06 0.90 -0.28 -0.09 -0.95 0.00 0.00 178.83 178.36 1kkc h ARG 118 N 0.69 0.18 -0.01 1.46 9.65 -0.69 -3.37 114.38 122.30 1kkc h ARG 118 Ca 0.10 -0.20 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1kkc h ARG 118 Cb 0.68 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.32 1kkc h ARG 118 CO 0.05 0.94 -0.59 0.91 2.80 0.00 0.00 179.97 184.08 1kkc n TRP 119 N -4.48 0.00 0.00 2.20 8.01 0.13 -4.98 117.44 118.32 1kkc n TRP 119 Ca -0.10 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.09 1kkc n TRP 119 Cb 0.52 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.82 1kkc n TRP 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1kkc n GLY 120 N 1.36 2.98 3.53 6.99 0.00 0.16 -4.70 105.19 115.52 1kkc n GLY 120 Ca 0.06 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 1kkc n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kkc s SER 121 N 0.70 -0.31 0.28 1.61 1.04 -1.20 -4.81 113.70 111.02 1kkc s SER 121 Ca 0.00 -0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.40 1kkc s SER 121 Cb 0.00 0.34 0.41 0.00 0.10 0.00 0.00 66.02 66.87 1kkc s SER 121 CO 0.00 -0.56 1.83 0.15 0.98 0.00 0.00 173.24 175.64 1kkc h PHE 122 N 2.00 0.83 -0.64 5.02 3.57 -1.90 -1.96 116.94 123.86 1kkc h PHE 122 Ca -0.20 -0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.14 1kkc h PHE 122 Cb 1.23 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 1kkc h PHE 122 CO 0.27 0.71 0.09 0.22 -2.23 0.00 0.00 178.31 177.36 1kkc h ASP 123 N 0.78 1.02 0.35 0.41 3.58 -1.97 -1.59 116.42 118.99 1kkc h ASP 123 Ca 0.17 -0.27 -0.10 0.00 0.42 0.00 0.00 57.03 57.26 1kkc h ASP 123 Cb 0.30 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1kkc h ASP 123 CO -0.00 1.03 -0.42 0.11 -2.88 0.00 0.00 179.24 177.08 1kkc h LYS 124 N 0.97 0.10 -0.28 0.28 1.57 -1.80 -2.11 116.57 115.30 1kkc h LYS 124 Ca 0.19 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 1kkc h LYS 124 Cb 0.45 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1kkc h LYS 124 CO 0.02 0.50 0.00 0.35 -0.57 0.00 0.00 179.45 179.75 1kkc h PHE 125 N 0.08 0.53 -0.63 -1.35 3.57 -0.94 -2.09 116.94 116.11 1kkc h PHE 125 Ca 0.01 -0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.46 1kkc h PHE 125 Cb 0.78 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 1kkc h PHE 125 CO 0.01 0.63 0.35 0.87 -2.23 0.00 0.00 178.31 177.94 1kkc h LYS 126 N 0.27 0.65 -0.36 1.11 1.57 -0.95 0.84 116.57 119.70 1kkc h LYS 126 Ca 0.08 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1kkc h LYS 126 Cb 0.42 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 1kkc h LYS 126 CO 0.01 0.43 0.15 -0.44 -0.57 0.00 0.00 179.45 179.03 1kkc h ASP 127 N 0.67 0.19 -0.67 0.86 3.32 -1.26 0.25 116.42 119.78 1kkc h ASP 127 Ca 0.28 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 1kkc h ASP 127 Cb 0.14 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1kkc h ASP 127 CO -0.16 0.15 0.38 0.00 -1.72 0.00 0.00 179.24 177.89 1kkc h ALA 128 N 1.21 0.85 -0.06 3.45 0.00 -0.67 -0.26 119.26 123.79 1kkc h ALA 128 Ca 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1kkc h ALA 128 Cb 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1kkc h ALA 128 CO -0.14 0.35 -0.00 0.35 0.00 0.00 0.00 179.25 179.81 1kkc h PHE 129 N 0.91 0.12 -0.37 0.00 3.57 -0.30 -1.24 116.94 119.63 1kkc h PHE 129 Ca 0.24 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.74 1kkc h PHE 129 Cb 0.02 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1kkc h PHE 129 CO -0.01 0.41 0.18 -0.91 -2.23 0.00 0.00 178.31 175.75 1kkc h ASN 130 N -0.19 0.27 -0.49 0.41 2.35 -0.39 0.28 115.58 117.81 1kkc h ASN 130 Ca 0.02 0.02 0.08 0.00 -0.55 0.00 0.00 56.30 55.86 1kkc h ASN 130 Cb 0.36 -0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.63 1kkc h ASN 130 CO 0.00 0.20 0.13 0.74 -1.65 0.00 0.00 177.43 176.85 1kkc h THR 131 N 0.38 0.77 -0.44 2.81 2.02 -0.97 0.25 112.91 117.73 1kkc h THR 131 Ca 0.16 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1kkc h THR 131 Cb 0.07 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1kkc h THR 131 CO -0.11 0.05 0.22 0.74 0.37 0.00 0.00 175.52 176.79 1kkc h THR 132 N 0.28 1.18 -0.25 3.16 2.02 -0.33 -1.18 112.91 117.78 1kkc h THR 132 Ca 0.24 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1kkc h THR 132 Cb 0.30 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1kkc h THR 132 CO -0.29 0.19 0.16 -0.07 0.37 0.00 0.00 175.52 175.88 1kkc h LEU 133 N 0.56 0.29 -1.25 2.58 3.38 0.33 -1.88 115.31 119.34 1kkc h LEU 133 Ca 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1kkc h LEU 133 Cb 0.10 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1kkc h LEU 133 CO -0.02 0.23 0.00 -0.07 0.09 0.00 0.00 178.44 178.67 1kkc h LEU 134 N 0.33 0.00 0.00 1.67 4.07 -0.85 -2.86 115.31 117.66 1kkc h LEU 134 Ca 0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1kkc h LEU 134 Cb -0.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.72 1kkc h LEU 134 CO -0.02 0.00 -0.15 1.23 -1.08 0.00 0.00 178.44 178.42 1kkc h GLY 135 N 1.92 0.00 -4.91 0.83 0.00 -0.37 -3.46 103.07 97.08 1kkc h GLY 135 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 1kkc h GLY 135 CO 0.00 0.00 0.99 1.39 0.00 0.00 0.00 176.54 178.92 1kkc n ILE 136 N -2.67 0.14 -3.64 2.60 5.41 -1.08 -4.97 119.36 115.16 1kkc n ILE 136 Ca 0.04 -0.03 -0.37 0.00 1.00 0.00 0.00 62.75 63.39 1kkc n ILE 136 Cb 0.49 -1.91 -0.10 0.00 -0.71 0.00 0.00 39.64 37.41 1kkc n ILE 136 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1kkc s GLN 137 N 1.74 4.00 2.82 0.38 -0.21 -1.26 -4.94 119.66 122.18 1kkc s GLN 137 Ca 0.79 -0.30 0.00 0.00 0.02 0.00 0.00 55.36 55.87 1kkc s GLN 137 Cb -0.55 -3.58 0.00 0.00 1.00 0.00 0.00 33.01 29.88 1kkc s GLN 137 CO 0.36 -0.05 0.00 0.41 -2.12 0.00 0.00 175.29 173.89 1kkc n GLY 138 N 4.65 -0.37 3.76 3.09 0.00 -1.26 -4.81 105.19 110.25 1kkc n GLY 138 Ca -0.15 -1.16 -0.39 0.00 0.00 0.00 0.00 46.02 44.33 1kkc n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kkc s SER 139 N -4.00 6.90 0.02 1.61 0.01 -1.26 -4.86 113.70 112.11 1kkc s SER 139 Ca 0.00 1.07 -0.18 0.00 1.31 0.00 0.00 55.95 58.15 1kkc s SER 139 Cb 0.00 -2.34 0.06 0.00 0.21 0.00 0.00 66.02 63.95 1kkc s SER 139 CO 0.00 0.10 0.81 0.61 0.41 0.00 0.00 173.24 175.18 1kkc n GLY 140 N 2.54 0.46 3.16 3.44 0.00 -1.26 0.03 105.19 113.57 1kkc n GLY 140 Ca -0.08 -1.00 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 1kkc n GLY 140 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1kkc s TRP 141 N -2.61 1.17 -0.11 1.61 0.52 0.11 -1.29 118.94 118.34 1kkc s TRP 141 Ca 0.19 -0.47 -0.02 0.00 0.02 0.00 0.00 56.10 55.81 1kkc s TRP 141 Cb -0.01 -0.66 -0.03 0.00 -1.15 0.00 0.00 33.47 31.62 1kkc s TRP 141 CO 0.00 0.04 -0.02 0.20 0.02 0.00 0.00 176.95 177.20 1kkc s GLY 142 N -1.76 1.78 0.05 0.98 0.00 -0.59 -1.62 107.32 106.16 1kkc s GLY 142 Ca -0.02 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 43.90 1kkc s GLY 142 CO 0.02 -0.36 -0.07 -0.98 0.00 0.00 0.00 173.10 171.70 1kkc s TRP 143 N -0.34 0.69 -0.15 1.90 0.52 0.12 -1.17 118.94 120.50 1kkc s TRP 143 Ca 0.06 -0.58 -0.02 0.00 0.02 0.00 0.00 56.10 55.58 1kkc s TRP 143 Cb -0.12 -0.41 -0.02 0.00 -1.15 0.00 0.00 33.47 31.77 1kkc s TRP 143 CO 0.02 -0.11 -0.09 -1.17 0.02 0.00 0.00 176.95 175.62 1kkc s LEU 144 N -1.85 2.86 0.26 2.99 2.96 -0.83 -0.64 118.68 124.42 1kkc s LEU 144 Ca -0.06 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 1kkc s LEU 144 Cb -0.07 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 1kkc s LEU 144 CO -0.01 0.13 0.10 0.68 -1.32 0.00 0.00 176.35 175.93 1kkc s VAL 145 N 0.57 0.57 0.08 1.68 -7.23 0.20 -0.61 120.40 115.66 1kkc s VAL 145 Ca -0.06 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.15 1kkc s VAL 145 Cb -0.15 -2.64 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 1kkc s VAL 145 CO 0.03 -0.00 -0.11 0.28 -0.31 0.00 0.00 175.10 174.99 1kkc s THR 146 N -3.75 0.90 -2.19 5.32 -1.32 -0.61 -1.31 115.64 112.69 1kkc s THR 146 Ca 0.38 -1.42 0.18 0.00 -1.21 0.00 0.00 61.69 59.62 1kkc s THR 146 Cb 0.08 -1.11 0.42 0.00 -1.51 0.00 0.00 72.50 70.38 1kkc s THR 146 CO 0.14 -0.43 1.49 -0.90 -2.21 0.00 0.00 174.62 172.71 1kkc n ASP 147 N 0.96 1.53 0.00 8.08 5.75 -1.01 -1.45 116.55 130.40 1kkc n ASP 147 Ca -0.19 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 1kkc n ASP 147 Cb 0.56 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 1kkc n ASP 147 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kkc n GLY 148 N 1.07 -0.74 3.65 6.12 0.00 -1.26 -4.90 105.19 109.13 1kkc n GLY 148 Ca 0.15 -1.18 -0.46 0.00 0.00 0.00 0.00 46.02 44.53 1kkc n GLY 148 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kkc n PRO 149 N -0.61 2.33 -3.83 1.61 -0.04 -1.26 -0.84 135.00 132.36 1kkc n PRO 149 Ca 0.00 0.83 -0.29 0.00 -0.04 0.00 0.00 63.50 63.99 1kkc n PRO 149 Cb 0.00 -2.84 0.03 0.00 -0.04 0.00 0.00 33.50 30.65 1kkc n PRO 149 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1kkc n LYS 150 N 7.33 -5.48 0.00 0.54 5.02 -0.22 -4.94 118.16 120.41 1kkc n LYS 150 Ca 0.24 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 1kkc n LYS 150 Cb 0.35 -5.50 0.00 0.00 -0.02 0.00 0.00 35.03 29.86 1kkc n LYS 150 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kkc n GLY 151 N -1.67 0.63 3.75 0.72 0.00 -0.02 -5.05 105.19 103.55 1kkc n GLY 151 Ca 0.03 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 1kkc n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kkc s LYS 152 N 1.55 4.79 0.16 1.61 -2.85 -1.26 -4.77 119.74 118.96 1kkc s LYS 152 Ca 0.00 1.59 -0.06 0.00 -1.00 0.00 0.00 55.97 56.51 1kkc s LYS 152 Cb 0.00 -3.25 -0.06 0.00 -2.06 0.00 0.00 37.83 32.46 1kkc s LYS 152 CO 0.00 0.42 0.41 -0.51 0.10 0.00 0.00 175.35 175.77 1kkc s LEU 153 N -1.26 4.24 0.03 2.77 1.43 -1.26 -2.42 118.68 122.22 1kkc s LEU 153 Ca 0.42 0.65 -0.16 0.00 -1.03 0.00 0.00 54.13 54.01 1kkc s LEU 153 Cb -0.28 -3.38 0.03 0.00 0.03 0.00 0.00 46.19 42.59 1kkc s LEU 153 CO 0.35 0.02 0.36 -1.81 0.23 0.00 0.00 176.35 175.50 1kkc s ASP 154 N -2.45 -0.22 -0.17 2.29 1.01 -0.42 -4.99 116.67 111.72 1kkc s ASP 154 Ca 0.42 -0.04 -0.05 0.00 0.71 0.00 0.00 52.55 53.58 1kkc s ASP 154 Cb -0.12 0.38 -0.03 0.00 1.01 0.00 0.00 42.92 44.16 1kkc s ASP 154 CO 0.24 -0.61 0.01 -0.63 0.21 0.00 0.00 175.17 174.39 1kkc s ILE 155 N -2.30 4.26 0.26 0.77 1.01 -1.26 -0.62 121.20 123.31 1kkc s ILE 155 Ca -0.07 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.39 1kkc s ILE 155 Cb -0.01 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 1kkc s ILE 155 CO -0.01 0.47 0.18 0.42 0.00 0.00 0.00 174.94 175.99 1kkc s THR 156 N 0.48 0.08 0.07 2.92 -4.23 0.18 -5.00 115.64 110.14 1kkc s THR 156 Ca -0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1kkc s THR 156 Cb -0.14 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 1kkc s THR 156 CO 0.02 0.00 -0.05 0.42 -0.54 0.00 0.00 174.62 174.47 1kkc s THR 157 N -3.85 0.42 0.05 3.99 -4.23 -1.26 0.11 115.64 110.87 1kkc s THR 157 Ca 0.39 -1.76 0.03 0.00 -1.18 0.00 0.00 61.69 59.17 1kkc s THR 157 Cb 0.05 -1.45 -0.02 0.00 1.34 0.00 0.00 72.50 72.42 1kkc s THR 157 CO 0.18 -0.88 -0.10 0.42 -0.54 0.00 0.00 174.62 173.69 1kkc s THR 158 N -3.50 0.76 0.17 3.99 -4.23 -0.64 -4.98 115.64 107.20 1kkc s THR 158 Ca 0.06 -1.06 -0.05 0.00 -1.18 0.00 0.00 61.69 59.46 1kkc s THR 158 Cb 0.05 -0.76 -0.06 0.00 1.34 0.00 0.00 72.50 73.07 1kkc s THR 158 CO -0.07 -0.25 0.41 -2.28 -0.54 0.00 0.00 174.62 171.89 1kkc s HIS 159 N -1.18 3.47 0.00 3.99 2.46 -1.26 -0.71 115.29 122.05 1kkc s HIS 159 Ca -0.05 0.59 0.00 0.00 0.47 0.00 0.00 55.06 56.07 1kkc s HIS 159 Cb -0.09 -2.04 0.00 0.00 -0.13 0.00 0.00 32.58 30.32 1kkc s HIS 159 CO 0.01 0.39 0.00 -0.25 -2.47 0.00 0.00 174.74 172.42 1kkc n ASP 160 N -0.04 0.00 -0.81 9.88 8.00 0.10 -1.17 116.55 132.50 1kkc n ASP 160 Ca -0.02 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.56 1kkc n ASP 160 Cb 0.52 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.86 1kkc n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kkc n GLN 161 N 14.00 2.81 -1.87 -1.24 1.13 -1.26 -4.30 117.38 126.65 1kkc n GLN 161 Ca 0.00 -2.77 -0.42 0.00 -1.94 0.00 0.00 57.00 51.87 1kkc n GLN 161 Cb 0.00 -1.78 -0.02 0.00 0.11 0.00 0.00 30.24 28.55 1kkc n GLN 161 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1kkc s ASP 162 N -1.94 6.49 0.60 1.08 1.01 -0.32 -3.31 116.67 120.29 1kkc s ASP 162 Ca 0.40 2.80 -0.03 0.00 0.71 0.00 0.00 52.55 56.42 1kkc s ASP 162 Cb 0.32 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 41.66 1kkc s ASP 162 CO 0.09 -0.84 0.88 -2.16 0.21 0.00 0.00 175.17 173.34 1kkc s PRO 163 N 0.05 2.59 0.15 8.23 0.04 -1.26 -4.65 135.00 140.14 1kkc s PRO 163 Ca 0.65 -0.36 -0.30 0.00 0.04 0.00 0.00 61.00 61.03 1kkc s PRO 163 Cb -0.46 -2.33 -0.08 0.00 0.04 0.00 0.00 34.50 31.68 1kkc s PRO 163 CO 0.41 -0.84 1.27 0.08 0.04 0.00 0.00 177.00 177.96 1kkc s VAL 164 N -2.97 3.51 0.04 -0.36 1.01 -1.26 -5.02 120.40 115.36 1kkc s VAL 164 Ca 0.56 1.18 0.03 0.00 0.00 0.00 0.00 61.98 63.75 1kkc s VAL 164 Cb -0.10 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1kkc s VAL 164 CO 0.42 0.15 -0.09 0.42 0.00 0.00 0.00 175.10 176.00 1kkc s THR 165 N 0.45 0.64 0.00 3.92 -4.23 -1.26 -4.78 115.64 110.39 1kkc s THR 165 Ca 0.57 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 1kkc s THR 165 Cb -0.34 -0.66 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1kkc s THR 165 CO 0.34 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 1kkc n GLY 166 N 1.71 1.52 3.45 3.99 0.00 -1.26 -4.96 105.19 109.63 1kkc n GLY 166 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 1kkc n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkc s ALA 167 N -3.56 -0.08 -0.24 4.61 0.00 -1.26 -4.97 121.76 116.26 1kkc s ALA 167 Ca 0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 51.96 50.97 1kkc s ALA 167 Cb 0.00 1.00 -0.05 0.00 0.00 0.00 0.00 23.12 24.08 1kkc s ALA 167 CO 0.00 -0.75 0.14 0.00 0.00 0.00 0.00 175.76 175.15 1kkc s ALA 168 N -4.00 3.50 0.13 0.00 0.00 -0.53 -4.62 121.76 116.24 1kkc s ALA 168 Ca 0.21 -0.93 -0.31 0.00 0.00 0.00 0.00 51.96 50.93 1kkc s ALA 168 Cb 0.02 -2.25 -0.08 0.00 0.00 0.00 0.00 23.12 20.81 1kkc s ALA 168 CO 0.05 -0.23 1.32 -2.14 0.00 0.00 0.00 175.76 174.76 1kkc s PRO 169 N 1.14 4.37 -0.26 0.00 0.02 -1.26 -1.57 135.00 137.44 1kkc s PRO 169 Ca 0.06 2.00 -0.14 0.00 0.02 0.00 0.00 61.00 62.95 1kkc s PRO 169 Cb -0.14 -3.25 -0.14 0.00 0.02 0.00 0.00 34.50 30.98 1kkc s PRO 169 CO 0.05 -0.34 -0.21 0.28 -0.33 0.00 0.00 177.00 176.45 1kkc n VAL 170 N 3.55 1.54 -3.55 3.83 0.31 0.22 -4.77 118.33 119.46 1kkc n VAL 170 Ca 0.09 -0.34 -0.14 0.00 -0.01 0.00 0.00 64.34 63.94 1kkc n VAL 170 Cb 0.43 -1.86 -0.06 0.00 -0.91 0.00 0.00 33.84 31.45 1kkc n VAL 170 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1kkc s PHE 171 N -2.48 -0.52 0.15 3.52 -0.12 -1.19 -4.37 117.98 112.97 1kkc s PHE 171 Ca -0.36 0.91 0.05 0.00 -0.05 0.00 0.00 56.93 57.48 1kkc s PHE 171 Cb 0.12 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 1kkc s PHE 171 CO 0.53 -0.46 -0.10 0.20 -0.05 0.00 0.00 175.22 175.33 1kkc s GLY 172 N -1.07 1.10 -0.10 1.99 0.00 -1.26 -1.97 107.32 106.01 1kkc s GLY 172 Ca -0.06 -1.51 -0.00 0.00 0.00 0.00 0.00 44.72 43.15 1kkc s GLY 172 CO 0.05 -1.60 -0.06 0.14 0.00 0.00 0.00 173.10 171.63 1kkc s VAL 173 N -3.31 0.87 -0.14 1.40 1.01 -0.32 -4.85 120.40 115.06 1kkc s VAL 173 Ca 0.17 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.65 1kkc s VAL 173 Cb 0.02 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 1kkc s VAL 173 CO 0.01 0.34 1.35 -0.62 0.00 0.00 0.00 175.10 176.18 1kkc s ASP 174 N 1.64 6.88 -0.06 3.32 -1.08 -1.26 -1.55 116.67 124.56 1kkc s ASP 174 Ca 0.03 1.81 0.15 0.00 -0.52 0.00 0.00 52.55 54.02 1kkc s ASP 174 Cb -0.13 -2.54 0.50 0.00 -1.46 0.00 0.00 42.92 39.29 1kkc s ASP 174 CO -0.06 -0.80 1.42 0.23 0.52 0.00 0.00 175.17 176.48 1kkc n MET 175 N 6.71 3.08 -2.11 4.34 2.81 -0.41 -4.84 117.12 126.70 1kkc n MET 175 Ca 0.15 -2.49 -0.40 0.00 -1.81 0.00 0.00 57.70 53.15 1kkc n MET 175 Cb 0.44 -1.57 -0.01 0.00 -0.71 0.00 0.00 33.22 31.37 1kkc n MET 175 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1kkc s TRP 176 N -1.53 2.93 0.39 2.03 0.52 -1.21 -4.51 118.94 117.56 1kkc s TRP 176 Ca 0.37 1.44 0.14 0.00 0.02 0.00 0.00 56.10 58.07 1kkc s TRP 176 Cb 0.23 -3.62 0.98 0.00 -1.15 0.00 0.00 33.47 29.91 1kkc s TRP 176 CO 0.19 -1.88 1.87 0.93 0.02 0.00 0.00 176.95 178.08 1kkc h GLU 177 N 2.86 0.50 0.00 4.98 5.08 -1.93 -0.11 114.58 125.96 1kkc h GLU 177 Ca -0.49 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1kkc h GLU 177 Cb 1.24 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1kkc h GLU 177 CO 0.63 0.33 0.00 -2.39 -1.00 0.00 0.00 179.01 176.58 1kkc n HIS 178 N -4.53 0.00 0.90 4.33 1.44 -1.26 -0.67 115.22 115.42 1kkc n HIS 178 Ca 0.18 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 56.02 1kkc n HIS 178 Cb 0.58 -0.46 0.42 0.00 0.12 0.00 0.00 29.99 30.66 1kkc n HIS 178 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1kkc n ALA 179 N -1.46 2.76 -0.21 1.59 0.00 -0.05 -4.57 120.51 118.57 1kkc n ALA 179 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1kkc n ALA 179 Cb 0.10 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1kkc n ALA 179 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1kkc n TYR 180 N -1.68 0.00 -0.29 0.00 4.11 -0.79 -4.98 117.16 113.53 1kkc n TYR 180 Ca 0.06 0.00 0.08 0.00 -0.00 0.00 0.00 57.90 58.04 1kkc n TYR 180 Cb 0.36 0.00 0.24 0.00 -0.00 0.00 0.00 39.34 39.94 1kkc n TYR 180 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 1kkc h TYR 181 N 0.00 0.73 -0.45 -3.48 3.20 -1.08 0.16 116.97 116.05 1kkc h TYR 181 Ca 0.00 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.95 1kkc h TYR 181 Cb 0.00 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 1kkc h TYR 181 CO 0.00 0.13 0.30 -0.07 -1.64 0.00 0.00 178.16 176.88 1kkc h LEU 182 N 0.57 0.38 0.00 2.82 3.38 -1.88 0.32 115.31 120.90 1kkc h LEU 182 Ca 0.48 -0.00 -0.43 0.00 0.09 0.00 0.00 57.88 58.02 1kkc h LEU 182 Cb 0.73 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 1kkc h LEU 182 CO -0.40 0.26 -2.40 1.67 0.09 0.00 0.00 178.44 177.66 1kkc n GLN 183 N -4.48 0.61 0.00 1.13 7.27 -0.79 -4.64 117.38 116.48 1kkc n GLN 183 Ca 0.05 0.26 0.11 0.00 0.07 0.00 0.00 57.00 57.50 1kkc n GLN 183 Cb 0.19 -1.53 0.05 0.00 2.41 0.00 0.00 30.24 31.37 1kkc n GLN 183 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1kkc n TYR 184 N -4.00 0.00 -2.17 3.69 4.01 0.51 -5.05 117.16 114.15 1kkc n TYR 184 Ca -0.50 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.24 1kkc n TYR 184 Cb 0.90 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.90 1kkc n TYR 184 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1kkc n LEU 185 N -0.36 0.00 0.00 7.72 4.77 0.11 -0.88 117.00 128.36 1kkc n LEU 185 Ca 0.09 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.19 1kkc n LEU 185 Cb 0.43 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 42.05 1kkc n LEU 185 CO 0.30 0.00 0.89 -0.46 -1.33 0.00 0.00 177.39 176.79 1kkc n ASN 186 N 2.18 0.00 -3.59 -1.43 6.94 -1.26 -4.29 115.26 113.80 1kkc n ASN 186 Ca 0.00 0.41 -0.40 0.00 -0.02 0.00 0.00 54.58 54.56 1kkc n ASN 186 Cb 0.00 -0.47 -0.02 0.00 -2.36 0.00 0.00 39.78 36.94 1kkc n ASN 186 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1kkc n ASP 187 N -1.47 4.78 0.30 0.53 2.03 -0.06 -4.70 116.55 117.97 1kkc n ASP 187 Ca 0.07 -2.73 0.18 0.00 0.52 0.00 0.00 54.79 52.83 1kkc n ASP 187 Cb 0.27 -1.52 0.93 0.00 -0.72 0.00 0.00 41.12 40.08 1kkc n ASP 187 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1kkc h LYS 188 N 6.09 0.00 -0.60 -0.67 2.10 -1.81 -2.23 116.57 119.45 1kkc h LYS 188 Ca 0.61 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 59.20 1kkc h LYS 188 Cb 0.54 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.84 1kkc h LYS 188 CO 1.85 0.04 0.14 0.00 -2.00 0.00 0.00 179.45 179.48 1kkc h ALA 189 N 1.96 0.79 -0.03 0.07 0.00 -1.97 -0.35 119.26 119.73 1kkc h ALA 189 Ca -0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1kkc h ALA 189 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1kkc h ALA 189 CO 0.00 0.51 -0.39 0.77 0.00 0.00 0.00 179.25 180.14 1kkc h SER 190 N 0.88 0.07 0.09 0.00 0.02 -1.80 -1.51 113.55 111.29 1kkc h SER 190 Ca 0.19 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1kkc h SER 190 Cb 0.37 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1kkc h SER 190 CO 0.00 0.46 -0.04 0.22 -1.14 0.00 0.00 176.83 176.33 1kkc h TYR 191 N 0.06 -0.11 -0.73 3.45 3.20 -1.28 -0.96 116.97 120.60 1kkc h TYR 191 Ca 0.00 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.91 1kkc h TYR 191 Cb 0.72 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.98 1kkc h TYR 191 CO 0.00 0.23 0.45 0.00 -1.64 0.00 0.00 178.16 177.20 1kkc h ALA 192 N 0.39 0.97 -0.60 1.82 0.00 -0.94 -1.33 119.26 119.57 1kkc h ALA 192 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1kkc h ALA 192 Cb 0.40 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1kkc h ALA 192 CO 0.02 0.20 0.36 -0.22 0.00 0.00 0.00 179.25 179.61 1kkc h LYS 193 N 0.85 0.82 0.00 0.00 3.64 -1.21 -3.14 116.57 117.53 1kkc h LYS 193 Ca 0.30 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.48 1kkc h LYS 193 Cb 0.08 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1kkc h LYS 193 CO -0.14 0.59 -0.63 0.78 -2.27 0.00 0.00 179.45 177.78 1kkc h GLY 194 N 0.82 0.00 2.00 5.01 0.00 -0.66 -3.30 103.07 106.94 1kkc h GLY 194 Ca 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 1kkc h GLY 194 CO -0.04 0.00 -0.00 1.19 0.00 0.00 0.00 176.54 177.69 1kkc h ILE 195 N 0.00 0.02 0.00 2.60 2.10 -1.20 -2.40 117.51 118.63 1kkc h ILE 195 Ca -0.01 -0.30 -0.01 0.00 1.08 0.00 0.00 64.86 65.63 1kkc h ILE 195 Cb 1.32 1.29 -0.00 0.00 -1.09 0.00 0.00 36.82 38.35 1kkc h ILE 195 CO 0.08 0.00 -0.03 -0.50 -1.08 0.00 0.00 178.15 176.62 1kkc h TRP 196 N 0.00 0.00 0.00 2.19 4.06 -1.68 -1.75 115.95 118.77 1kkc h TRP 196 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1kkc h TRP 196 Cb 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.45 1kkc h TRP 196 CO 0.00 0.03 0.00 -0.91 -3.56 0.00 0.00 178.44 174.00 1kkc h ASN 197 N 0.00 0.00 0.00 -3.49 2.35 -1.68 -3.23 115.58 109.54 1kkc h ASN 197 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1kkc h ASN 197 Cb 0.10 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 1kkc h ASN 197 CO 0.00 0.00 -0.10 1.33 -1.65 0.00 0.00 177.43 177.02 1kkc n VAL 198 N -2.76 1.84 -2.56 2.81 0.24 -0.67 -2.64 118.33 114.59 1kkc n VAL 198 Ca 0.03 -2.30 -0.42 0.00 -2.04 0.00 0.00 64.34 59.60 1kkc n VAL 198 Cb 0.38 -0.20 -0.03 0.00 -1.47 0.00 0.00 33.84 32.52 1kkc n VAL 198 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1kkc s ILE 199 N -2.79 4.47 -1.17 1.34 -1.09 -1.12 -0.24 121.20 120.61 1kkc s ILE 199 Ca 0.32 1.77 -0.19 0.00 -2.23 0.00 0.00 60.65 60.32 1kkc s ILE 199 Cb 0.28 -4.14 0.08 0.00 -1.58 0.00 0.00 42.46 37.11 1kkc s ILE 199 CO 0.01 0.07 1.55 0.21 -1.23 0.00 0.00 174.94 175.56 1kkc s ASN 200 N 1.17 6.74 0.48 3.58 3.84 -0.46 0.16 114.94 130.45 1kkc s ASN 200 Ca 0.54 -2.17 0.16 0.00 0.21 0.00 0.00 52.86 51.60 1kkc s ASN 200 Cb -0.24 -2.54 1.15 0.00 -0.55 0.00 0.00 41.25 39.08 1kkc s ASN 200 CO 0.25 -1.21 2.06 -0.50 -2.79 0.00 0.00 177.10 174.91 1kkc h TRP 201 N 8.34 0.00 -0.56 0.43 4.06 -1.83 -2.01 115.95 124.38 1kkc h TRP 201 Ca 0.33 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.25 1kkc h TRP 201 Cb 0.93 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.06 1kkc h TRP 201 CO 1.32 0.10 0.25 0.00 -3.56 0.00 0.00 178.44 176.55 1kkc h ALA 202 N 1.90 1.39 -0.06 1.49 0.00 -1.85 0.18 119.26 122.30 1kkc h ALA 202 Ca -0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.54 1kkc h ALA 202 Cb 0.19 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1kkc h ALA 202 CO 0.01 0.47 -0.92 1.49 0.00 0.00 0.00 179.25 180.31 1kkc h GLU 203 N 0.79 0.68 -0.77 0.00 4.57 -1.69 -2.77 114.58 115.40 1kkc h GLU 203 Ca 0.19 -0.65 -0.01 0.00 -1.18 0.00 0.00 59.36 57.71 1kkc h GLU 203 Cb 0.11 0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 1kkc h GLU 203 CO -0.02 1.25 0.44 0.00 -1.18 0.00 0.00 179.01 179.50 1kkc h ALA 204 N 0.54 0.98 -0.43 2.92 0.00 -0.87 -1.64 119.26 120.76 1kkc h ALA 204 Ca -0.09 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1kkc h ALA 204 Cb 1.55 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1kkc h ALA 204 CO 0.18 0.48 0.19 1.49 0.00 0.00 0.00 179.25 181.59 1kkc h GLU 205 N 1.06 0.38 -0.36 0.00 4.57 -0.64 0.73 114.58 120.32 1kkc h GLU 205 Ca 0.27 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.41 1kkc h GLU 205 Cb 0.00 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 1kkc h GLU 205 CO -0.05 0.25 0.16 -0.91 -1.18 0.00 0.00 179.01 177.28 1kkc h ASN 206 N 0.39 0.49 -0.74 1.04 -0.26 -1.15 -1.44 115.58 113.90 1kkc h ASN 206 Ca 0.19 -0.15 -0.01 0.00 -0.56 0.00 0.00 56.30 55.77 1kkc h ASN 206 Cb 0.13 -0.13 -0.04 0.00 -1.06 0.00 0.00 38.32 37.23 1kkc h ASN 206 CO -0.16 0.50 0.41 0.03 -1.06 0.00 0.00 177.43 177.15 1kkc h ARG 207 N 0.44 1.03 -0.16 0.81 3.08 -0.93 -0.35 114.38 118.31 1kkc h ARG 207 Ca 0.12 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1kkc h ARG 207 Cb 0.15 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1kkc h ARG 207 CO -0.01 0.77 0.06 -0.92 -1.07 0.00 0.00 179.97 178.80 1kkc h TYR 208 N 1.02 0.24 -0.54 3.04 3.20 -0.62 0.65 116.97 123.96 1kkc h TYR 208 Ca 0.26 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.07 1kkc h TYR 208 Cb 0.03 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 1kkc h TYR 208 CO -0.00 0.31 0.14 0.82 -1.64 0.00 0.00 178.16 177.79 1kkc h ILE 209 N 0.10 1.22 -0.02 1.81 2.04 -1.09 -0.52 117.51 121.05 1kkc h ILE 209 Ca 0.05 -0.79 -0.24 0.00 1.00 0.00 0.00 64.86 64.87 1kkc h ILE 209 Cb 0.17 0.66 0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1kkc h ILE 209 CO -0.00 0.30 -0.96 0.00 0.00 0.00 0.00 178.15 177.48 1kkc h ALA 210 N 1.36 0.25 -6.52 1.87 0.00 -0.84 -3.33 119.26 112.04 1kkc h ALA 210 Ca 0.18 -0.68 -0.51 0.00 0.00 0.00 0.00 54.91 53.89 1kkc h ALA 210 Cb 0.28 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 17.97 1kkc h ALA 210 CO -0.00 0.73 -0.80 0.41 0.00 0.00 0.00 179.25 179.59 1kkc n GLY 211 N 0.96 -0.46 3.55 0.00 0.00 0.23 -4.15 105.19 105.31 1kkc n GLY 211 Ca -0.09 0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1kkc n GLY 211 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1kkc s ASP 212 N -3.36 5.98 0.00 1.61 2.15 -1.26 -4.10 116.67 117.69 1kkc s ASP 212 Ca 0.67 -0.33 0.02 0.00 0.43 0.00 0.00 52.55 53.34 1kkc s ASP 212 Cb -0.35 -2.55 0.11 0.00 -0.30 0.00 0.00 42.92 39.83 1kkc s ASP 212 CO 0.88 -1.95 0.60 0.29 -0.17 0.00 0.00 175.17 174.82