#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khe h ALA 4 N 0.00 1.07 -0.86 1.57 0.00 -2.01 -0.88 119.26 118.16 3khe h ALA 4 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3khe h ALA 4 Cb 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3khe h ALA 4 CO 0.00 0.33 0.51 1.25 0.00 0.00 0.00 179.25 181.34 3khe h LEU 5 N 1.00 1.04 0.11 0.00 5.85 -1.98 -1.46 115.31 119.86 3khe h LEU 5 Ca 0.33 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.99 3khe h LEU 5 Cb 0.03 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 3khe h LEU 5 CO -0.12 0.80 -0.22 0.74 -0.34 0.00 0.00 178.44 179.30 3khe h THR 6 N 1.18 0.50 -0.47 1.05 2.02 -1.82 -0.66 112.91 114.71 3khe h THR 6 Ca 0.31 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.58 3khe h THR 6 Cb -0.04 0.50 -0.09 0.00 -1.74 0.00 0.00 68.15 66.79 3khe h THR 6 CO -0.06 0.00 -0.09 1.23 0.37 0.00 0.00 175.52 176.97 3khe h GLY 7 N -0.41 0.37 1.32 2.16 0.00 -0.80 0.12 103.07 105.83 3khe h GLY 7 Ca 0.03 0.13 -0.16 0.00 0.00 0.00 0.00 47.33 47.34 3khe h GLY 7 CO -0.13 -0.17 -0.45 0.00 0.00 0.00 0.00 176.54 175.80 3khe h ALA 8 N 1.46 0.67 -0.48 3.60 0.00 -1.03 -0.08 119.26 123.40 3khe h ALA 8 Ca 0.23 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 3khe h ALA 8 Cb 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3khe h ALA 8 CO -0.46 0.67 -0.03 -0.07 0.00 0.00 0.00 179.25 179.36 3khe h LEU 9 N 0.59 0.86 -0.10 0.00 3.38 -0.97 -1.25 115.31 117.82 3khe h LEU 9 Ca 0.04 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.73 3khe h LEU 9 Cb 1.01 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 3khe h LEU 9 CO 0.10 0.98 -0.38 1.23 0.09 0.00 0.00 178.44 180.45 3khe h GLY 10 N 0.72 -0.61 1.49 0.83 0.00 -0.58 -0.51 103.07 104.40 3khe h GLY 10 Ca 0.13 0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.91 3khe h GLY 10 CO 0.03 -0.23 0.23 3.43 0.00 0.00 0.00 176.54 180.00 3khe h ASN 11 N -0.47 0.60 -0.50 0.19 2.35 -0.90 -1.69 115.58 115.16 3khe h ASN 11 Ca 0.08 -0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.67 3khe h ASN 11 Cb 0.60 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 3khe h ASN 11 CO -0.36 0.51 -0.08 0.24 -1.65 0.00 0.00 177.43 176.10 3khe h MET 12 N 0.67 0.96 0.03 0.81 2.86 -0.94 -2.25 114.93 117.08 3khe h MET 12 Ca 0.17 -0.33 0.03 0.00 -2.06 0.00 0.00 59.70 57.51 3khe h MET 12 Cb 0.07 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 3khe h MET 12 CO -0.02 0.99 -0.31 0.87 1.06 0.00 0.00 176.91 179.50 3khe h LYS 13 N 0.87 -0.47 -0.00 1.72 1.57 -0.37 -2.95 116.57 116.95 3khe h LYS 13 Ca 0.14 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3khe h LYS 13 Cb 0.61 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 3khe h LYS 13 CO 0.04 -0.31 -0.05 0.87 -0.57 0.00 0.00 179.45 179.43 3khe h LYS 14 N -0.48 0.00 -6.59 3.15 1.57 -1.27 -3.46 116.57 109.49 3khe h LYS 14 Ca 0.05 -0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.31 3khe h LYS 14 Cb 0.55 -0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.90 3khe h LYS 14 CO -0.24 0.05 0.78 0.12 -0.57 0.00 0.00 179.45 179.59 3khe s PHE 15 N -4.95 3.16 0.13 -1.35 5.36 -0.85 -5.01 117.98 114.47 3khe s PHE 15 Ca -0.05 0.86 0.10 0.00 -0.96 0.00 0.00 56.93 56.89 3khe s PHE 15 Cb 0.17 -3.78 -0.04 0.00 -0.34 0.00 0.00 43.02 39.03 3khe s PHE 15 CO 0.68 -2.74 -0.25 -0.65 -1.46 0.00 0.00 175.22 170.79 3khe s GLN 16 N 0.91 1.35 0.81 10.12 -1.52 -1.26 -4.91 119.66 125.16 3khe s GLN 16 Ca 0.66 -1.32 -0.12 0.00 -1.95 0.00 0.00 55.36 52.62 3khe s GLN 16 Cb -0.40 -1.77 0.09 0.00 -0.22 0.00 0.00 33.01 30.71 3khe s GLN 16 CO 0.32 0.41 1.16 -1.12 -0.25 0.00 0.00 175.29 175.82 3khe s SER 17 N -2.08 3.70 0.36 5.90 0.01 -1.26 -5.05 113.70 115.28 3khe s SER 17 Ca 0.13 2.20 0.05 0.00 1.31 0.00 0.00 55.95 59.63 3khe s SER 17 Cb -0.10 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.53 3khe s SER 17 CO 0.06 -2.58 0.18 -0.94 0.41 0.00 0.00 173.24 170.37 3khe s SER 18 N -2.52 2.12 0.93 2.44 1.04 -1.26 -5.13 113.70 111.31 3khe s SER 18 Ca 0.69 -1.67 -0.11 0.00 0.48 0.00 0.00 55.95 55.34 3khe s SER 18 Cb -0.24 0.49 0.15 0.00 0.10 0.00 0.00 66.02 66.52 3khe s SER 18 CO 0.52 -0.96 1.12 0.00 0.98 0.00 0.00 173.24 174.90 3khe s GLN 19 N -3.66 0.96 0.26 4.02 1.03 -1.26 -4.72 119.66 116.29 3khe s GLN 19 Ca 0.32 1.32 0.11 0.00 0.04 0.00 0.00 55.36 57.15 3khe s GLN 19 Cb 0.03 -1.74 0.29 0.00 0.03 0.00 0.00 33.01 31.62 3khe s GLN 19 CO 0.19 -2.60 1.57 -0.22 -2.54 0.00 0.00 175.29 171.69 3khe h LYS 20 N -1.83 0.00 -0.22 9.60 1.63 -1.97 -0.68 116.57 123.10 3khe h LYS 20 Ca -0.46 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.25 3khe h LYS 20 Cb 1.27 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.90 3khe h LYS 20 CO 0.46 0.65 -0.18 1.25 -3.45 0.00 0.00 179.45 178.18 3khe h LEU 21 N 0.00 0.54 -0.93 5.20 5.85 -1.94 0.14 115.31 124.16 3khe h LEU 21 Ca -0.01 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 3khe h LEU 21 Cb 1.19 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 3khe h LEU 21 CO 0.08 0.88 0.44 0.00 -0.34 0.00 0.00 178.44 179.51 3khe h ALA 22 N 0.67 1.18 0.14 1.25 0.00 -1.89 0.47 119.26 121.08 3khe h ALA 22 Ca 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3khe h ALA 22 Cb 0.72 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3khe h ALA 22 CO 0.05 0.65 -0.07 0.37 0.00 0.00 0.00 179.25 180.25 3khe h GLN 23 N 1.20 -0.18 -0.80 0.00 4.15 -0.91 -1.40 115.11 117.17 3khe h GLN 23 Ca 0.30 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.73 3khe h GLN 23 Cb 0.06 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.75 3khe h GLN 23 CO -0.04 -0.04 0.51 0.00 -1.93 0.00 0.00 178.83 177.33 3khe h ALA 24 N 0.57 1.39 -0.13 3.38 0.00 -0.52 -2.34 119.26 121.60 3khe h ALA 24 Ca -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3khe h ALA 24 Cb 0.22 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3khe h ALA 24 CO 0.03 0.55 0.05 0.00 0.00 0.00 0.00 179.25 179.87 3khe h ALA 25 N 1.47 0.18 -0.51 0.00 0.00 -0.59 -1.77 119.26 118.04 3khe h ALA 25 Ca 0.29 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3khe h ALA 25 Cb -0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3khe h ALA 25 CO -0.06 -0.22 -0.00 0.52 0.00 0.00 0.00 179.25 179.49 3khe h MET 26 N 0.05 0.90 -0.23 0.00 2.07 -1.18 -1.43 114.93 115.11 3khe h MET 26 Ca 0.04 -0.29 -0.13 0.00 -2.07 0.00 0.00 59.70 57.26 3khe h MET 26 Cb 0.20 -0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 29.84 3khe h MET 26 CO -0.00 0.93 -0.39 1.25 1.07 0.00 0.00 176.91 179.77 3khe h LEU 27 N 0.77 0.55 -0.19 1.22 5.85 -1.34 0.68 115.31 122.84 3khe h LEU 27 Ca 0.14 -0.24 -0.11 0.00 0.84 0.00 0.00 57.88 58.51 3khe h LEU 27 Cb 0.52 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 3khe h LEU 27 CO 0.03 0.88 -0.33 0.15 -0.34 0.00 0.00 178.44 178.83 3khe h PHE 28 N 0.43 0.70 -0.17 1.25 3.57 -1.09 0.11 116.94 121.75 3khe h PHE 28 Ca 0.04 -0.24 -0.01 0.00 3.53 0.00 0.00 57.97 61.29 3khe h PHE 28 Cb 0.87 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 3khe h PHE 28 CO 0.03 0.97 0.07 0.52 -2.23 0.00 0.00 178.31 177.68 3khe h MET 29 N 0.23 0.26 -0.01 1.11 2.86 -1.14 -1.22 114.93 117.01 3khe h MET 29 Ca 0.01 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 3khe h MET 29 Cb 0.92 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 3khe h MET 29 CO 0.07 0.32 -0.40 0.78 1.06 0.00 0.00 176.91 178.75 3khe h GLY 30 N 0.13 0.03 0.30 8.32 0.00 -0.62 -2.36 103.07 108.87 3khe h GLY 30 Ca 0.06 -0.03 -0.35 0.00 0.00 0.00 0.00 47.33 47.01 3khe h GLY 30 CO -0.01 0.02 -2.20 -1.14 0.00 0.00 0.00 176.54 173.21 3khe n SER 31 N -4.06 0.82 -0.02 0.19 3.41 0.01 -4.48 113.62 109.49 3khe n SER 31 Ca -0.02 0.09 -0.01 0.00 -0.26 0.00 0.00 58.87 58.68 3khe n SER 31 Cb 0.43 0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.61 3khe n SER 31 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3khe n LYS 32 N -3.00 2.03 0.00 4.33 4.76 -0.46 -4.80 118.16 121.02 3khe n LYS 32 Ca -0.32 -0.02 0.07 0.00 -2.87 0.00 0.00 58.31 55.18 3khe n LYS 32 Cb 1.09 -1.15 0.03 0.00 -1.84 0.00 0.00 35.03 33.16 3khe n LYS 32 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3khe n LEU 33 N -2.04 1.93 -4.90 -0.35 4.77 -0.90 -4.95 117.00 110.56 3khe n LEU 33 Ca -0.07 -0.89 -0.32 0.00 -0.03 0.00 0.00 56.01 54.70 3khe n LEU 33 Cb 0.51 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 3khe n LEU 33 CO 0.13 0.36 -0.00 0.42 -1.33 0.00 0.00 177.39 176.96 3khe s THR 34 N -1.48 5.21 0.34 -5.08 -4.23 -1.15 -5.02 115.64 104.22 3khe s THR 34 Ca 0.15 0.02 -0.09 0.00 -1.18 0.00 0.00 61.69 60.59 3khe s THR 34 Cb 0.12 -3.62 -0.06 0.00 1.34 0.00 0.00 72.50 70.28 3khe s THR 34 CO 0.27 0.10 0.67 0.42 -0.54 0.00 0.00 174.62 175.55 3khe s THR 35 N -1.58 4.86 0.42 3.99 -4.23 -1.26 -4.97 115.64 112.86 3khe s THR 35 Ca 0.38 0.48 0.14 0.00 -1.18 0.00 0.00 61.69 61.51 3khe s THR 35 Cb -0.12 -3.70 0.15 0.00 1.34 0.00 0.00 72.50 70.16 3khe s THR 35 CO 0.24 -0.36 1.92 -0.07 -0.54 0.00 0.00 174.62 175.81 3khe h LEU 36 N 1.68 0.01 -0.02 4.79 3.38 -1.98 -2.49 115.31 120.68 3khe h LEU 36 Ca -0.47 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.52 3khe h LEU 36 Cb 1.18 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 3khe h LEU 36 CO 0.65 0.26 -0.11 -0.08 0.09 0.00 0.00 178.44 179.26 3khe h GLU 37 N 0.01 -0.17 -0.19 1.13 4.57 -2.00 -1.69 114.58 116.24 3khe h GLU 37 Ca -0.00 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.25 3khe h GLU 37 Cb 0.46 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 3khe h GLU 37 CO 0.03 -0.11 0.16 0.93 -1.18 0.00 0.00 179.01 178.84 3khe h GLU 38 N -0.17 0.00 -0.53 1.92 5.08 -1.87 -2.74 114.58 116.27 3khe h GLU 38 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3khe h GLU 38 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3khe h GLU 38 CO -0.12 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.14 3khe n THR 39 N -4.22 1.35 0.06 1.13 -2.24 -0.89 -4.70 114.28 104.76 3khe n THR 39 Ca 0.02 -1.14 0.02 0.00 -2.27 0.00 0.00 64.05 60.67 3khe n THR 39 Cb 0.29 0.33 0.36 0.00 -2.10 0.00 0.00 70.33 69.21 3khe n THR 39 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3khe h LYS 40 N 3.20 0.39 -0.37 -0.78 2.10 -1.00 -0.57 116.57 119.53 3khe h LYS 40 Ca 0.00 -0.08 -0.13 0.00 -2.00 0.00 0.00 60.65 58.44 3khe h LYS 40 Cb 1.07 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.33 3khe h LYS 40 CO 0.08 0.44 -0.31 1.49 -2.00 0.00 0.00 179.45 179.16 3khe h GLU 41 N 0.37 0.80 -0.61 0.07 4.81 -1.85 -2.52 114.58 115.66 3khe h GLU 41 Ca 0.08 -0.37 -0.05 0.00 -0.13 0.00 0.00 59.36 58.90 3khe h GLU 41 Cb 0.31 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 3khe h GLU 41 CO 0.01 0.99 0.19 -0.07 -0.73 0.00 0.00 179.01 179.41 3khe h LEU 42 N 0.67 0.85 -0.69 1.64 3.38 -1.71 -2.20 115.31 117.25 3khe h LEU 42 Ca 0.08 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3khe h LEU 42 Cb 0.85 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 3khe h LEU 42 CO 0.07 0.80 0.45 0.74 0.09 0.00 0.00 178.44 180.59 3khe h THR 43 N 0.89 1.14 -0.58 0.22 2.02 -0.85 0.42 112.91 116.18 3khe h THR 43 Ca 0.20 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 3khe h THR 43 Cb 0.25 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 3khe h THR 43 CO -0.01 0.16 0.32 1.56 0.37 0.00 0.00 175.52 177.93 3khe h GLN 44 N 0.90 0.80 -0.14 6.66 4.20 -1.15 -0.79 115.11 125.59 3khe h GLN 44 Ca 0.26 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 3khe h GLN 44 Cb -0.05 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 3khe h GLN 44 CO -0.08 0.61 0.02 0.82 -0.67 0.00 0.00 178.83 179.53 3khe h ILE 45 N 0.78 1.22 -0.62 2.54 2.04 -1.01 -2.59 117.51 119.87 3khe h ILE 45 Ca 0.20 -0.71 0.11 0.00 1.00 0.00 0.00 64.86 65.46 3khe h ILE 45 Cb 0.04 1.42 -0.08 0.00 -0.74 0.00 0.00 36.82 37.45 3khe h ILE 45 CO -0.03 0.21 0.17 0.15 0.00 0.00 0.00 178.15 178.65 3khe h PHE 46 N 0.02 0.28 -0.41 1.37 3.57 -0.73 -1.50 116.94 119.53 3khe h PHE 46 Ca 0.04 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.58 3khe h PHE 46 Cb 0.30 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 3khe h PHE 46 CO 0.02 0.01 0.27 0.00 -2.23 0.00 0.00 178.31 176.38 3khe h ARG 47 N 0.31 0.54 -0.05 1.11 3.08 -1.02 0.68 114.38 119.03 3khe h ARG 47 Ca 0.32 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 60.20 3khe h ARG 47 Cb 0.47 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3khe h ARG 47 CO -0.38 0.35 -0.60 -0.56 -1.07 0.00 0.00 179.97 177.71 3khe h GLN 48 N 0.55 0.18 0.00 0.04 3.07 -0.89 -3.04 115.11 115.02 3khe h GLN 48 Ca 0.15 -0.12 -0.22 0.00 0.09 0.00 0.00 58.65 58.56 3khe h GLN 48 Cb -0.05 0.02 -0.00 0.00 0.08 0.00 0.00 27.48 27.52 3khe h GLN 48 CO -0.03 0.72 -0.92 -0.07 0.09 0.00 0.00 178.83 178.62 3khe h LEU 49 N 0.13 0.43 -7.65 0.06 3.38 -0.76 -3.41 115.31 107.49 3khe h LEU 49 Ca -0.01 -0.35 -0.70 0.00 0.09 0.00 0.00 57.88 56.92 3khe h LEU 49 Cb 1.09 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.61 3khe h LEU 49 CO 0.09 1.15 2.08 -0.67 0.09 0.00 0.00 178.44 181.18 3khe n ASP 50 N -3.71 4.93 -0.21 -0.43 2.03 0.17 -4.80 116.55 114.52 3khe n ASP 50 Ca -0.06 -2.93 -0.02 0.00 0.52 0.00 0.00 54.79 52.30 3khe n ASP 50 Cb 0.83 -1.69 0.09 0.00 -0.72 0.00 0.00 41.12 39.62 3khe n ASP 50 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 3khe h ASN 51 N 7.30 0.47 -0.21 1.67 -1.24 -1.82 -1.21 115.58 120.54 3khe h ASN 51 Ca 0.43 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.47 3khe h ASN 51 Cb 0.85 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.84 3khe h ASN 51 CO 1.45 0.30 0.00 -0.46 -1.29 0.00 0.00 177.43 177.43 3khe n ASN 52 N -4.84 1.49 -3.99 1.15 6.94 -1.26 -4.99 115.26 109.76 3khe n ASN 52 Ca 0.08 -1.80 -0.31 0.00 -0.02 0.00 0.00 54.58 52.53 3khe n ASN 52 Cb 0.18 -0.13 0.01 0.00 -2.36 0.00 0.00 39.78 37.47 3khe n ASN 52 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3khe n GLY 53 N 1.04 -0.44 0.60 4.83 0.00 -0.46 -4.92 105.19 105.84 3khe n GLY 53 Ca 0.14 0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.38 3khe n GLY 53 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3khe n ASP 54 N -2.81 2.87 0.00 1.61 5.75 -1.26 -4.98 116.55 117.72 3khe n ASP 54 Ca -0.01 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 3khe n ASP 54 Cb 0.54 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 3khe n ASP 54 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3khe n GLY 55 N 0.46 0.50 3.24 6.12 0.00 -1.26 -5.05 105.19 109.20 3khe n GLY 55 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 3khe n GLY 55 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3khe s GLN 56 N -0.90 0.54 -0.24 1.61 -2.07 -1.26 -1.39 119.66 115.95 3khe s GLN 56 Ca 0.00 0.13 -0.10 0.00 -1.82 0.00 0.00 55.36 53.57 3khe s GLN 56 Cb 0.00 0.25 -0.05 0.00 -1.09 0.00 0.00 33.01 32.12 3khe s GLN 56 CO 0.00 -0.12 0.16 -0.51 -1.32 0.00 0.00 175.29 173.50 3khe s LEU 57 N -0.60 4.10 0.59 2.60 1.43 0.42 -4.91 118.68 122.31 3khe s LEU 57 Ca -0.07 0.10 0.10 0.00 -1.03 0.00 0.00 54.13 53.23 3khe s LEU 57 Cb -0.04 -2.10 0.09 0.00 0.03 0.00 0.00 46.19 44.17 3khe s LEU 57 CO 0.02 0.06 0.80 1.51 0.23 0.00 0.00 176.35 178.98 3khe s ASP 58 N 1.07 5.01 0.19 2.29 1.47 -1.26 -1.63 116.67 123.80 3khe s ASP 58 Ca 0.07 -0.93 -0.12 0.00 1.18 0.00 0.00 52.55 52.75 3khe s ASP 58 Cb -0.14 0.43 0.15 0.00 -0.34 0.00 0.00 42.92 43.03 3khe s ASP 58 CO 0.05 -1.40 1.79 -0.09 0.68 0.00 0.00 175.17 176.19 3khe h ARG 59 N 0.15 0.53 -0.69 2.11 2.43 -1.99 -1.60 114.38 115.31 3khe h ARG 59 Ca -0.29 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 58.79 3khe h ARG 59 Cb 1.29 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 3khe h ARG 59 CO 0.41 0.35 0.20 0.87 -1.51 0.00 0.00 179.97 180.29 3khe h LYS 60 N 0.55 1.08 -0.63 0.20 1.57 -1.98 -0.65 116.57 116.70 3khe h LYS 60 Ca 0.24 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3khe h LYS 60 Cb 0.13 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3khe h LYS 60 CO -0.16 0.94 0.40 0.93 -0.57 0.00 0.00 179.45 180.99 3khe h GLU 61 N 1.04 0.85 -0.21 3.15 5.08 -1.67 0.31 114.58 123.13 3khe h GLU 61 Ca 0.22 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.36 3khe h GLU 61 Cb 0.32 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3khe h GLU 61 CO -0.00 0.59 -0.50 -0.07 -1.00 0.00 0.00 179.01 178.02 3khe h LEU 62 N 0.86 0.80 -0.10 1.33 3.38 -0.84 -1.52 115.31 119.22 3khe h LEU 62 Ca 0.23 -0.57 0.03 0.00 0.09 0.00 0.00 57.88 57.67 3khe h LEU 62 Cb -0.06 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 3khe h LEU 62 CO -0.05 1.22 -0.12 0.40 0.09 0.00 0.00 178.44 179.98 3khe h ILE 63 N 0.41 0.67 -0.59 1.22 2.04 -0.81 -2.34 117.51 118.10 3khe h ILE 63 Ca -0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 3khe h ILE 63 Cb 1.11 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 3khe h ILE 63 CO 0.11 0.00 0.40 -0.33 0.00 0.00 0.00 178.15 178.33 3khe h GLU 64 N -0.16 0.50 -0.24 2.37 4.39 -0.22 -1.72 114.58 119.51 3khe h GLU 64 Ca 0.08 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.78 3khe h GLU 64 Cb 0.27 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 3khe h GLU 64 CO -0.20 0.33 0.02 0.78 -1.16 0.00 0.00 179.01 178.79 3khe h GLY 65 N 0.52 0.25 0.83 -3.84 0.00 -0.73 0.73 103.07 100.82 3khe h GLY 65 Ca 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 3khe h GLY 65 CO -0.08 -0.03 0.02 -0.97 0.00 0.00 0.00 176.54 175.49 3khe h TYR 66 N 0.11 0.34 -0.55 5.60 -1.99 -1.22 -1.36 116.97 117.90 3khe h TYR 66 Ca 0.11 -0.05 -0.02 0.00 2.00 0.00 0.00 58.73 60.77 3khe h TYR 66 Cb 0.13 -0.09 -0.03 0.00 2.00 0.00 0.00 36.73 38.74 3khe h TYR 66 CO -0.17 0.48 0.26 0.00 -0.00 0.00 0.00 178.16 178.73 3khe h ARG 67 N 0.10 0.77 -0.46 4.88 3.08 -1.12 -2.14 114.38 119.48 3khe h ARG 67 Ca 0.06 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 3khe h ARG 67 Cb 0.33 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3khe h ARG 67 CO 0.01 0.61 -0.11 -0.22 -1.07 0.00 0.00 179.97 179.19 3khe h LYS 68 N 0.77 0.89 0.41 0.04 1.63 0.58 -2.66 116.57 118.23 3khe h LYS 68 Ca 0.19 -0.34 -0.01 0.00 -0.85 0.00 0.00 60.65 59.65 3khe h LYS 68 Cb 0.10 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 3khe h LYS 68 CO -0.02 0.98 -0.50 -0.07 -3.45 0.00 0.00 179.45 176.39 3khe h LEU 69 N 0.73 -1.41 -1.67 5.20 3.38 -0.72 -2.85 115.31 117.97 3khe h LEU 69 Ca 0.12 0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.26 3khe h LEU 69 Cb 0.65 0.48 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 3khe h LEU 69 CO 0.04 -0.63 0.30 0.24 0.09 0.00 0.00 178.44 178.48 3khe h MET 70 N -0.94 0.40 -5.56 1.13 2.86 -1.45 -3.52 114.93 107.86 3khe h MET 70 Ca -0.05 -0.02 -0.60 0.00 -2.06 0.00 0.00 59.70 56.97 3khe h MET 70 Cb 0.83 -0.09 -0.10 0.00 0.06 0.00 0.00 31.60 32.30 3khe h MET 70 CO -0.11 0.27 -0.05 -0.65 1.06 0.00 0.00 176.91 177.42 3khe s GLN 71 N -5.39 4.21 0.00 1.72 -0.21 -1.01 -5.13 119.66 113.86 3khe s GLN 71 Ca -0.08 0.42 0.00 0.00 0.02 0.00 0.00 55.36 55.72 3khe s GLN 71 Cb 0.18 -3.54 0.00 0.00 1.00 0.00 0.00 33.01 30.65 3khe s GLN 71 CO 0.73 -0.11 0.00 0.28 -2.12 0.00 0.00 175.29 174.08 3khe n VAL 77 N 4.42 0.00 -0.92 1.09 0.31 -1.26 -5.02 118.33 116.95 3khe n VAL 77 Ca -0.05 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.94 3khe n VAL 77 Cb 0.51 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.53 3khe n VAL 77 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3khe n SER 78 N 0.00 -2.39 -0.05 4.52 2.88 -1.26 -4.75 113.62 112.58 3khe n SER 78 Ca 0.00 0.37 0.03 0.00 -1.33 0.00 0.00 58.87 57.94 3khe n SER 78 Cb 0.00 -1.15 0.38 0.00 -0.75 0.00 0.00 64.21 62.68 3khe n SER 78 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3khe h ASP 79 N -1.23 0.56 0.47 -3.46 3.32 -2.06 -1.50 116.42 112.52 3khe h ASP 79 Ca -0.44 -0.02 -0.26 0.00 0.02 0.00 0.00 57.03 56.34 3khe h ASP 79 Cb 1.30 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 40.72 3khe h ASP 79 CO 0.35 0.42 -1.12 -0.07 -1.72 0.00 0.00 179.24 177.10 3khe h LEU 80 N 0.66 0.50 -0.41 1.55 3.38 -1.99 -2.56 115.31 116.44 3khe h LEU 80 Ca 0.18 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 3khe h LEU 80 Cb -0.05 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3khe h LEU 80 CO -0.04 1.32 0.23 0.44 0.09 0.00 0.00 178.44 180.48 3khe h ASP 81 N 0.15 0.51 -0.28 -0.43 3.32 -1.88 -0.35 116.42 117.46 3khe h ASP 81 Ca -0.12 -0.08 0.06 0.00 0.02 0.00 0.00 57.03 56.92 3khe h ASP 81 Cb 1.80 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 41.14 3khe h ASP 81 CO 0.19 0.44 -0.34 0.28 -1.72 0.00 0.00 179.24 178.09 3khe h SER 82 N 0.53 -1.11 0.03 6.45 0.02 -1.29 0.53 113.55 118.71 3khe h SER 82 Ca 0.15 0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 61.24 3khe h SER 82 Cb 0.04 0.49 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 3khe h SER 82 CO -0.02 -0.35 -0.09 0.77 -1.14 0.00 0.00 176.83 176.00 3khe h SER 83 N -0.33 0.14 -0.49 3.07 4.64 -1.39 0.78 113.55 119.97 3khe h SER 83 Ca 0.13 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.36 3khe h SER 83 Cb 0.55 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 3khe h SER 83 CO -0.46 0.25 0.04 -0.61 -0.87 0.00 0.00 176.83 175.18 3khe h GLN 84 N 0.15 0.85 -0.49 4.77 5.75 0.52 -1.92 115.11 124.74 3khe h GLN 84 Ca 0.03 -0.25 -0.02 0.00 -0.15 0.00 0.00 58.65 58.27 3khe h GLN 84 Cb 0.26 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 3khe h GLN 84 CO 0.01 0.86 0.23 0.82 -2.65 0.00 0.00 178.83 178.11 3khe h ILE 85 N 0.71 1.19 -0.91 2.39 2.04 0.66 -0.93 117.51 122.67 3khe h ILE 85 Ca 0.14 -0.55 0.15 0.00 1.00 0.00 0.00 64.86 65.60 3khe h ILE 85 Cb 0.46 0.65 -0.09 0.00 -0.74 0.00 0.00 36.82 37.09 3khe h ILE 85 CO 0.02 0.21 0.51 -0.33 0.00 0.00 0.00 178.15 178.56 3khe h GLU 86 N 0.65 0.71 -0.52 2.37 4.39 -0.80 -1.90 114.58 119.47 3khe h GLU 86 Ca 0.17 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.73 3khe h GLU 86 Cb 0.12 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 3khe h GLU 86 CO -0.02 0.47 -0.04 0.00 -1.16 0.00 0.00 179.01 178.26 3khe h ALA 87 N 1.57 0.71 -0.92 3.43 0.00 -0.47 -2.25 119.26 121.32 3khe h ALA 87 Ca 0.49 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3khe h ALA 87 Cb 0.66 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3khe h ALA 87 CO -0.34 0.57 0.55 0.93 0.00 0.00 0.00 179.25 180.96 3khe h GLU 88 N 0.82 1.26 -0.00 0.00 4.39 -0.45 -2.60 114.58 118.00 3khe h GLU 88 Ca 0.14 -0.12 -0.24 0.00 0.34 0.00 0.00 59.36 59.49 3khe h GLU 88 Cb 0.58 -0.26 0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3khe h GLU 88 CO 0.03 0.88 -0.96 0.28 -1.16 0.00 0.00 179.01 178.08 3khe h VAL 89 N 1.28 1.37 -0.46 3.13 2.07 -1.32 -1.39 116.25 120.93 3khe h VAL 89 Ca 0.33 -2.38 0.04 0.00 0.82 0.00 0.00 66.70 65.51 3khe h VAL 89 Cb -0.05 2.39 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 3khe h VAL 89 CO -0.06 0.72 0.22 0.44 0.02 0.00 0.00 177.57 178.91 3khe h ASP 90 N 0.28 0.32 -0.51 0.57 3.32 -1.33 0.28 116.42 119.34 3khe h ASP 90 Ca -0.09 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.88 3khe h ASP 90 Cb 1.60 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 41.10 3khe h ASP 90 CO 0.17 0.23 -0.10 -0.74 -1.72 0.00 0.00 179.24 177.08 3khe h HIS 91 N 0.45 1.08 -0.49 4.55 2.76 -1.33 -2.65 115.15 119.51 3khe h HIS 91 Ca 0.20 -0.22 0.06 0.00 -2.20 0.00 0.00 60.37 58.21 3khe h HIS 91 Cb 0.11 -0.27 -0.05 0.00 1.55 0.00 0.00 27.41 28.75 3khe h HIS 91 CO -0.11 1.02 0.19 0.82 -1.30 0.00 0.00 177.93 178.55 3khe h ILE 92 N 0.83 0.85 0.00 6.26 2.04 -0.45 -0.29 117.51 126.74 3khe h ILE 92 Ca 0.13 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 3khe h ILE 92 Cb 0.65 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3khe h ILE 92 CO 0.05 0.07 -0.07 -0.07 0.00 0.00 0.00 178.15 178.12 3khe h LEU 93 N 0.37 0.00 0.00 1.44 3.38 -0.29 0.14 115.31 120.35 3khe h LEU 93 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3khe h LEU 93 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3khe h LEU 93 CO -0.23 0.07 -1.17 0.00 0.09 0.00 0.00 178.44 177.21 3khe n GLN 94 N -3.24 0.20 -0.12 1.13 -0.00 -0.84 -3.99 117.38 110.52 3khe n GLN 94 Ca -0.00 -0.04 -0.25 0.00 -0.00 0.00 0.00 57.00 56.71 3khe n GLN 94 Cb 0.31 -1.53 -0.09 0.00 -0.00 0.00 0.00 30.24 28.93 3khe n GLN 94 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3khe n SER 95 N -1.76 1.75 0.03 2.61 2.88 -0.18 -4.76 113.62 114.19 3khe n SER 95 Ca 0.02 0.26 -0.02 0.00 -1.33 0.00 0.00 58.87 57.79 3khe n SER 95 Cb 0.40 -0.68 -0.09 0.00 -0.75 0.00 0.00 64.21 63.10 3khe n SER 95 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3khe h VAL 96 N -0.79 0.68 -0.87 2.46 2.07 -0.95 -3.41 116.25 115.43 3khe h VAL 96 Ca -0.61 -2.25 -0.60 0.00 0.82 0.00 0.00 66.70 64.06 3khe h VAL 96 Cb 1.56 2.20 -0.08 0.00 -1.52 0.00 0.00 31.29 33.45 3khe h VAL 96 CO -0.35 0.39 1.81 -0.62 0.02 0.00 0.00 177.57 178.82 3khe s ASP 97 N -5.97 6.45 0.27 0.57 2.15 -1.20 -4.78 116.67 114.15 3khe s ASP 97 Ca -0.02 -2.00 -0.02 0.00 0.43 0.00 0.00 52.55 50.94 3khe s ASP 97 Cb 0.08 -2.58 0.35 0.00 -0.30 0.00 0.00 42.92 40.48 3khe s ASP 97 CO 0.81 -1.57 1.80 -0.26 -0.17 0.00 0.00 175.17 175.78 3khe h PHE 98 N 8.62 0.89 -0.01 -5.34 0.04 -1.88 -2.89 116.94 116.36 3khe h PHE 98 Ca 0.34 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 61.01 3khe h PHE 98 Cb 0.92 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.82 3khe h PHE 98 CO 1.35 0.76 -0.08 -0.40 -0.60 0.00 0.00 178.31 179.34 3khe n ASP 99 N -4.26 0.88 -2.45 2.17 5.75 -1.26 -4.94 116.55 112.45 3khe n ASP 99 Ca 0.04 -1.05 -0.17 0.00 -0.01 0.00 0.00 54.79 53.59 3khe n ASP 99 Cb 0.25 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.37 3khe n ASP 99 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 3khe n ARG 100 N -0.48 -4.21 0.00 0.11 1.85 -1.09 -4.92 116.66 107.91 3khe n ARG 100 Ca 0.17 0.68 0.11 0.00 -1.00 0.00 0.00 57.85 57.82 3khe n ARG 100 Cb 0.29 -5.10 0.07 0.00 -1.05 0.00 0.00 32.46 26.68 3khe n ARG 100 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3khe n ASN 101 N -1.58 1.84 0.00 2.89 6.94 -1.26 -4.97 115.26 119.13 3khe n ASN 101 Ca -0.07 -1.40 0.00 0.00 -0.02 0.00 0.00 54.58 53.09 3khe n ASN 101 Cb 0.58 0.41 0.00 0.00 -2.36 0.00 0.00 39.78 38.41 3khe n ASN 101 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3khe n GLY 102 N 1.40 0.65 3.26 4.83 0.00 -1.26 -5.06 105.19 109.01 3khe n GLY 102 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 3khe n GLY 102 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3khe s TYR 103 N -2.59 1.35 -0.48 1.61 2.02 -1.26 -4.59 117.35 113.41 3khe s TYR 103 Ca 0.00 -0.67 -0.16 0.00 -0.37 0.00 0.00 57.07 55.87 3khe s TYR 103 Cb 0.00 -0.68 0.06 0.00 -0.40 0.00 0.00 41.96 40.94 3khe s TYR 103 CO 0.00 0.13 0.45 0.42 -1.57 0.00 0.00 175.55 174.99 3khe s ILE 104 N -2.90 5.14 0.69 2.71 -1.09 -0.65 -4.72 121.20 120.38 3khe s ILE 104 Ca 0.15 -0.87 -0.14 0.00 -2.23 0.00 0.00 60.65 57.56 3khe s ILE 104 Cb -0.00 -4.16 0.01 0.00 -1.58 0.00 0.00 42.46 36.73 3khe s ILE 104 CO 0.02 -0.62 1.10 -1.61 -1.23 0.00 0.00 174.94 172.60 3khe s GLU 105 N 1.92 2.67 0.19 2.79 8.01 -1.26 -0.43 118.70 132.59 3khe s GLU 105 Ca 0.07 1.30 -0.21 0.00 0.01 0.00 0.00 54.97 56.14 3khe s GLU 105 Cb -0.22 -1.94 0.10 0.00 -4.31 0.00 0.00 34.13 27.76 3khe s GLU 105 CO 0.08 -1.34 1.44 0.98 0.01 0.00 0.00 175.26 176.44 3khe n TYR 106 N -2.74 -0.15 0.11 1.61 9.36 -0.49 -0.86 117.16 124.00 3khe n TYR 106 Ca 0.10 1.15 -0.03 0.00 3.32 0.00 0.00 57.90 62.44 3khe n TYR 106 Cb 0.52 -0.73 0.16 0.00 -0.63 0.00 0.00 39.34 38.66 3khe n TYR 106 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3khe h SER 107 N 0.00 0.13 -0.18 2.98 4.64 -1.92 0.16 113.55 119.36 3khe h SER 107 Ca 0.25 -0.07 0.01 0.00 -0.47 0.00 0.00 61.79 61.51 3khe h SER 107 Cb 0.48 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 3khe h SER 107 CO -0.90 0.69 0.08 -0.33 -0.87 0.00 0.00 176.83 175.50 3khe h GLU 108 N 0.08 0.17 -0.21 4.77 5.08 -1.69 -1.70 114.58 121.08 3khe h GLU 108 Ca -0.01 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3khe h GLU 108 Cb 1.08 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 3khe h GLU 108 CO 0.08 0.11 -0.02 0.35 -1.00 0.00 0.00 179.01 178.53 3khe h PHE 109 N 0.17 -0.05 -0.63 4.33 3.57 -0.21 -2.54 116.94 121.58 3khe h PHE 109 Ca 0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3khe h PHE 109 Cb 0.03 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 3khe h PHE 109 CO -0.10 -0.06 0.41 0.28 -2.23 0.00 0.00 178.31 176.62 3khe h VAL 110 N 0.04 1.17 -0.27 1.41 2.07 -0.70 -0.56 116.25 119.40 3khe h VAL 110 Ca 0.10 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.33 3khe h VAL 110 Cb 0.14 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3khe h VAL 110 CO -0.19 0.16 0.09 0.74 0.02 0.00 0.00 177.57 178.40 3khe h THR 111 N 0.86 0.93 -0.17 2.57 2.02 -1.15 -0.86 112.91 117.10 3khe h THR 111 Ca 0.23 -0.07 -0.20 0.00 0.77 0.00 0.00 66.41 67.14 3khe h THR 111 Cb -0.09 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3khe h THR 111 CO -0.05 0.04 -0.70 0.58 0.37 0.00 0.00 175.52 175.76 3khe h VAL 112 N 0.21 1.30 0.00 3.16 2.07 -1.27 -3.33 116.25 118.39 3khe h VAL 112 Ca 0.12 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 65.70 3khe h VAL 112 Cb 0.09 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 3khe h VAL 112 CO -0.13 0.61 -0.56 0.00 0.02 0.00 0.00 177.57 177.52 3khe s MET 114 N -3.26 4.56 -0.31 0.00 1.75 -0.35 -4.93 119.30 116.75 3khe s MET 114 Ca 0.04 1.89 -0.42 0.00 -1.25 0.00 0.00 55.69 55.96 3khe s MET 114 Cb 0.09 -3.18 -0.17 0.00 2.84 0.00 0.00 34.83 34.41 3khe s MET 114 CO 0.73 0.07 1.69 -3.47 -0.65 0.00 0.00 175.02 173.39 3khe n ASP 115 N 1.42 2.07 0.24 1.11 -0.08 -1.26 -4.86 116.55 115.19 3khe n ASP 115 Ca 0.00 1.10 0.13 0.00 -1.51 0.00 0.00 54.79 54.52 3khe n ASP 115 Cb 0.44 -1.08 0.49 0.00 2.34 0.00 0.00 41.12 43.31 3khe n ASP 115 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3khe h LYS 116 N 6.59 0.00 -0.24 -0.67 1.79 -1.92 -0.78 116.57 121.34 3khe h LYS 116 Ca -0.46 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 57.95 3khe h LYS 116 Cb 1.33 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.97 3khe h LYS 116 CO 0.96 0.11 -0.13 0.37 -1.08 0.00 0.00 179.45 179.68 3khe h GLN 117 N 0.00 0.39 0.10 3.15 5.75 -1.93 -0.94 115.11 121.64 3khe h GLN 117 Ca -0.00 -0.11 -0.31 0.00 -0.15 0.00 0.00 58.65 58.09 3khe h GLN 117 Cb 0.72 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 3khe h GLN 117 CO 0.01 0.53 -1.57 1.25 -2.65 0.00 0.00 178.83 176.41 3khe h LEU 118 N 0.37 0.35 -0.19 -2.39 7.12 -1.78 -3.36 115.31 115.43 3khe h LEU 118 Ca 0.07 -0.51 -0.02 0.00 0.13 0.00 0.00 57.88 57.55 3khe h LEU 118 Cb 0.46 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.47 3khe h LEU 118 CO 0.03 1.43 0.03 0.25 -0.13 0.00 0.00 178.44 180.04 3khe h LEU 119 N 0.06 0.31 -5.04 2.25 5.85 -1.08 -3.33 115.31 114.33 3khe h LEU 119 Ca -0.25 -0.27 -0.62 0.00 0.84 0.00 0.00 57.88 57.58 3khe h LEU 119 Cb 2.01 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.91 3khe h LEU 119 CO 0.15 0.50 2.62 0.18 -0.34 0.00 0.00 178.44 181.55 3khe n LEU 120 N -4.74 7.94 -4.83 2.25 4.32 -0.37 -4.76 117.00 116.82 3khe n LEU 120 Ca -0.04 -4.36 -0.31 0.00 -0.02 0.00 0.00 56.01 51.27 3khe n LEU 120 Cb 0.20 -1.45 0.03 0.00 -1.62 0.00 0.00 43.42 40.57 3khe n LEU 120 CO 0.36 2.00 0.71 -0.94 -1.22 0.00 0.00 177.39 178.31 3khe s SER 121 N 1.44 5.68 0.21 -1.43 1.04 -1.25 -4.86 113.70 114.53 3khe s SER 121 Ca 0.64 1.58 -0.08 0.00 0.48 0.00 0.00 55.95 58.57 3khe s SER 121 Cb 0.21 -2.49 0.15 0.00 0.10 0.00 0.00 66.02 63.99 3khe s SER 121 CO -0.08 -1.24 1.73 0.03 0.98 0.00 0.00 173.24 174.66 3khe h ARG 122 N -0.48 1.12 -0.29 4.02 3.08 -1.91 0.40 114.38 120.33 3khe h ARG 122 Ca -0.44 -0.26 0.03 0.00 0.07 0.00 0.00 59.98 59.37 3khe h ARG 122 Cb 1.20 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 31.08 3khe h ARG 122 CO 0.58 0.98 0.11 0.93 -1.07 0.00 0.00 179.97 181.50 3khe h GLU 123 N 1.06 0.23 -0.50 0.04 3.07 -1.97 -0.84 114.58 115.68 3khe h GLU 123 Ca 0.22 -0.01 -0.13 0.00 -0.50 0.00 0.00 59.36 58.94 3khe h GLU 123 Cb 0.37 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 3khe h GLU 123 CO 0.00 0.15 -0.19 0.00 -1.40 0.00 0.00 179.01 177.58 3khe h ARG 124 N 0.24 1.01 -0.72 2.33 3.08 -1.69 -0.47 114.38 118.16 3khe h ARG 124 Ca 0.13 -0.41 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 3khe h ARG 124 Cb 0.09 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 3khe h ARG 124 CO -0.12 1.09 0.43 -0.07 -1.07 0.00 0.00 179.97 180.23 3khe h LEU 125 N 0.87 0.87 -0.12 3.04 3.38 -0.84 -0.02 115.31 122.49 3khe h LEU 125 Ca 0.12 -0.07 -0.23 0.00 0.09 0.00 0.00 57.88 57.79 3khe h LEU 125 Cb 0.76 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3khe h LEU 125 CO 0.06 0.68 -1.00 0.25 0.09 0.00 0.00 178.44 178.52 3khe h LEU 126 N 0.98 0.49 -0.06 1.67 5.85 -0.93 -0.21 115.31 123.09 3khe h LEU 126 Ca 0.26 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 3khe h LEU 126 Cb -0.03 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 3khe h LEU 126 CO -0.05 1.23 0.01 0.00 -0.34 0.00 0.00 178.44 179.30 3khe h ALA 127 N 0.73 0.09 -0.40 1.25 0.00 -0.91 -1.89 119.26 118.13 3khe h ALA 127 Ca -0.09 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.75 3khe h ALA 127 Cb 1.65 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.35 3khe h ALA 127 CO 0.17 -0.27 -0.00 0.00 0.00 0.00 0.00 179.25 179.14 3khe h ALA 128 N 0.77 0.36 -0.40 0.00 0.00 -0.77 -1.44 119.26 117.79 3khe h ALA 128 Ca 0.02 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.12 3khe h ALA 128 Cb 0.27 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.17 3khe h ALA 128 CO 0.00 -0.39 -0.34 0.35 0.00 0.00 0.00 179.25 178.87 3khe h PHE 129 N 0.10 -0.94 -0.02 0.00 3.57 -0.91 -1.02 116.94 117.73 3khe h PHE 129 Ca 0.19 0.06 -0.11 0.00 3.53 0.00 0.00 57.97 61.65 3khe h PHE 129 Cb 0.28 0.47 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 3khe h PHE 129 CO -0.27 -0.39 -0.49 1.96 -2.23 0.00 0.00 178.31 176.89 3khe h GLN 130 N -0.26 0.04 -0.23 1.11 4.20 -0.94 0.11 115.11 119.14 3khe h GLN 130 Ca 0.17 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.76 3khe h GLN 130 Cb 0.55 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 3khe h GLN 130 CO -0.54 0.52 -0.28 1.96 -0.67 0.00 0.00 178.83 179.82 3khe h GLN 131 N 0.03 0.44 0.11 1.46 1.08 -0.32 -3.19 115.11 114.72 3khe h GLN 131 Ca -0.00 -0.17 -0.30 0.00 -1.45 0.00 0.00 58.65 56.72 3khe h GLN 131 Cb 0.88 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.28 3khe h GLN 131 CO 0.07 0.69 -1.48 0.74 -0.95 0.00 0.00 178.83 177.89 3khe h PHE 132 N 0.39 0.43 0.00 2.96 0.04 -0.72 -3.33 116.94 116.71 3khe h PHE 132 Ca 0.05 -0.32 -0.63 0.00 2.80 0.00 0.00 57.97 59.87 3khe h PHE 132 Cb 0.70 -0.02 0.01 0.00 2.20 0.00 0.00 35.95 38.84 3khe h PHE 132 CO 0.02 1.35 2.78 -3.47 -0.60 0.00 0.00 178.31 178.39 3khe n ASP 133 N -3.45 3.91 0.29 2.17 2.03 0.35 -4.81 116.55 117.04 3khe n ASP 133 Ca -0.15 -2.67 0.16 0.00 0.52 0.00 0.00 54.79 52.65 3khe n ASP 133 Cb 1.04 -1.34 0.85 0.00 -0.72 0.00 0.00 41.12 40.95 3khe n ASP 133 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3khe h SER 134 N 6.76 0.00 -0.28 1.67 4.64 -1.74 -1.50 113.55 123.09 3khe h SER 134 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 3khe h SER 134 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3khe h SER 134 CO 1.85 0.06 0.00 -0.90 -0.87 0.00 0.00 176.83 176.97 3khe n ASP 135 N -3.51 2.29 -2.47 4.97 5.75 -1.26 -4.95 116.55 117.38 3khe n ASP 135 Ca -0.02 -1.85 -0.17 0.00 -0.01 0.00 0.00 54.79 52.74 3khe n ASP 135 Cb 0.19 -0.18 -0.01 0.00 -1.03 0.00 0.00 41.12 40.09 3khe n ASP 135 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3khe n GLY 136 N 1.25 -0.50 0.08 6.12 0.00 -0.57 -4.88 105.19 106.69 3khe n GLY 136 Ca 0.17 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.31 3khe n GLY 136 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3khe n SER 137 N -1.95 0.47 0.00 1.61 3.41 -1.26 -4.88 113.62 111.02 3khe n SER 137 Ca -0.19 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 3khe n SER 137 Cb 0.65 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 3khe n SER 137 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3khe n GLY 138 N 0.50 0.83 3.07 5.00 0.00 -1.26 -5.02 105.19 108.30 3khe n GLY 138 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 3khe n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khe s LYS 139 N -0.50 0.30 -0.17 1.61 1.02 -1.26 -4.10 119.74 116.63 3khe s LYS 139 Ca 0.00 0.05 -0.16 0.00 0.02 0.00 0.00 55.97 55.88 3khe s LYS 139 Cb 0.00 0.13 -0.04 0.00 -0.52 0.00 0.00 37.83 37.40 3khe s LYS 139 CO 0.00 -0.05 0.38 0.42 -0.92 0.00 0.00 175.35 175.18 3khe s ILE 140 N -0.37 5.23 0.44 2.17 1.01 0.40 -4.86 121.20 125.23 3khe s ILE 140 Ca -0.05 0.71 0.07 0.00 0.00 0.00 0.00 60.65 61.39 3khe s ILE 140 Cb -0.03 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 3khe s ILE 140 CO 0.01 0.31 0.39 0.42 0.00 0.00 0.00 174.94 176.07 3khe s THR 141 N 0.88 2.47 0.17 2.92 -4.23 -1.26 -1.20 115.64 115.39 3khe s THR 141 Ca 0.20 -1.37 -0.16 0.00 -1.18 0.00 0.00 61.69 59.17 3khe s THR 141 Cb -0.14 -2.84 0.10 0.00 1.34 0.00 0.00 72.50 70.96 3khe s THR 141 CO 0.07 0.00 1.67 -1.13 -0.54 0.00 0.00 174.62 174.69 3khe h ASN 142 N 0.98 -0.34 -0.89 3.99 -0.73 -1.98 -1.31 115.58 115.30 3khe h ASN 142 Ca -0.40 0.12 0.08 0.00 1.87 0.00 0.00 56.30 57.97 3khe h ASN 142 Cb 1.27 0.24 -0.06 0.00 0.27 0.00 0.00 38.32 40.04 3khe h ASN 142 CO 0.57 -0.12 0.58 -0.33 -0.37 0.00 0.00 177.43 177.76 3khe h GLU 143 N 0.02 0.91 -0.03 6.67 3.07 -1.96 -0.02 114.58 123.24 3khe h GLU 143 Ca 0.21 -0.05 -0.24 0.00 -0.50 0.00 0.00 59.36 58.77 3khe h GLU 143 Cb 0.31 -0.21 0.01 0.00 -0.84 0.00 0.00 28.75 28.03 3khe h GLU 143 CO -0.42 0.60 -0.94 0.93 -1.40 0.00 0.00 179.01 177.79 3khe h GLU 144 N 0.94 0.58 -0.55 2.33 5.08 -1.70 -0.85 114.58 120.41 3khe h GLU 144 Ca 0.40 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3khe h GLU 144 Cb 0.31 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 3khe h GLU 144 CO -0.16 1.20 0.36 1.25 -1.00 0.00 0.00 179.01 180.66 3khe h LEU 145 N 0.35 0.64 -0.46 1.33 5.85 -0.10 -3.02 115.31 119.90 3khe h LEU 145 Ca -0.09 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.69 3khe h LEU 145 Cb 1.57 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 42.37 3khe h LEU 145 CO 0.18 0.47 0.05 1.23 -0.34 0.00 0.00 178.44 180.03 3khe h GLY 146 N 0.75 0.52 -0.12 3.75 0.00 -0.80 -1.85 103.07 105.32 3khe h GLY 146 Ca 0.20 0.01 0.25 0.00 0.00 0.00 0.00 47.33 47.80 3khe h GLY 146 CO -0.04 -0.09 0.64 -0.09 0.00 0.00 0.00 176.54 176.95 3khe h ARG 147 N 0.17 0.48 0.00 4.80 2.43 -0.58 0.10 114.38 121.79 3khe h ARG 147 Ca 0.23 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 3khe h ARG 147 Cb 0.32 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3khe h ARG 147 CO -0.34 0.32 -0.12 -0.07 -1.51 0.00 0.00 179.97 178.25 3khe h LEU 148 N 0.50 0.00 -3.25 3.80 3.38 -1.34 -2.45 115.31 115.95 3khe h LEU 148 Ca 0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.58 3khe h LEU 148 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 3khe h LEU 148 CO -0.37 0.12 0.00 0.49 0.09 0.00 0.00 178.44 178.77 3khe n PHE 149 N -3.64 1.07 -1.20 1.13 3.72 0.25 -4.95 117.46 113.83 3khe n PHE 149 Ca -0.02 -0.80 -0.07 0.00 -0.05 0.00 0.00 57.45 56.52 3khe n PHE 149 Cb 0.24 -0.30 -0.03 0.00 -0.94 0.00 0.00 39.48 38.45 3khe n PHE 149 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3khe n GLY 150 N -0.14 0.87 3.48 1.37 0.00 -0.92 -5.02 105.19 104.82 3khe n GLY 150 Ca 0.21 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 3khe n GLY 150 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3khe s VAL 151 N -2.06 2.06 -0.10 1.61 -7.23 -0.60 -4.97 120.40 109.12 3khe s VAL 151 Ca 0.00 -2.22 0.21 0.00 -1.81 0.00 0.00 61.98 58.16 3khe s VAL 151 Cb 0.00 -2.46 0.20 0.00 0.56 0.00 0.00 36.38 34.67 3khe s VAL 151 CO 0.00 -0.31 1.64 0.71 -0.31 0.00 0.00 175.10 176.83 3khe h THR 152 N 2.20 0.54 -3.02 5.32 1.35 -1.90 -2.34 112.91 115.06 3khe h THR 152 Ca -0.41 -1.50 -0.00 0.00 -0.55 0.00 0.00 66.41 63.95 3khe h THR 152 Cb 1.24 2.06 -0.11 0.00 -1.73 0.00 0.00 68.15 69.62 3khe h THR 152 CO 0.67 0.27 0.20 -1.83 -0.25 0.00 0.00 175.52 174.58 3khe s GLU 153 N -3.29 1.38 0.32 4.72 -1.05 -1.26 -4.40 118.70 115.11 3khe s GLU 153 Ca 0.03 -0.59 0.03 0.00 -0.15 0.00 0.00 54.97 54.30 3khe s GLU 153 Cb 0.08 0.59 -0.02 0.00 -0.44 0.00 0.00 34.13 34.34 3khe s GLU 153 CO 0.68 -0.61 0.48 0.14 0.95 0.00 0.00 175.26 176.90 3khe s VAL 154 N -3.79 4.85 0.79 1.83 -7.23 -1.26 -4.80 120.40 110.79 3khe s VAL 154 Ca 0.03 -0.76 -0.12 0.00 -1.81 0.00 0.00 61.98 59.33 3khe s VAL 154 Cb -0.02 -3.74 0.07 0.00 0.56 0.00 0.00 36.38 33.25 3khe s VAL 154 CO -0.09 -0.38 1.12 1.51 -0.31 0.00 0.00 175.10 176.95 3khe s ASP 155 N -4.06 4.60 0.25 4.85 1.47 -1.26 -4.81 116.67 117.72 3khe s ASP 155 Ca 0.40 1.12 -0.05 0.00 1.18 0.00 0.00 52.55 55.19 3khe s ASP 155 Cb -0.09 -1.81 0.28 0.00 -0.34 0.00 0.00 42.92 40.96 3khe s ASP 155 CO 0.33 -1.88 1.90 0.44 0.68 0.00 0.00 175.17 176.64 3khe h ASP 156 N -1.03 1.09 -0.51 2.11 3.32 -1.99 -2.00 116.42 117.42 3khe h ASP 156 Ca -0.47 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 56.42 3khe h ASP 156 Cb 1.28 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 3khe h ASP 156 CO 0.62 0.83 -0.08 -0.08 -1.72 0.00 0.00 179.24 178.82 3khe h GLU 157 N 1.25 0.94 0.23 3.56 4.81 -1.98 0.61 114.58 124.00 3khe h GLU 157 Ca 0.33 -0.34 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3khe h GLU 157 Cb -0.05 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 3khe h GLU 157 CO -0.06 1.00 -0.27 1.15 -0.73 0.00 0.00 179.01 180.10 3khe h THR 158 N 0.81 0.42 -0.52 0.32 2.02 -1.85 -1.41 112.91 112.70 3khe h THR 158 Ca 0.13 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.24 3khe h THR 158 Cb 0.63 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3khe h THR 158 CO 0.04 0.00 0.04 -0.25 0.37 0.00 0.00 175.52 175.72 3khe h TRP 159 N -0.55 0.90 -0.79 3.16 -0.00 -1.18 -2.62 115.95 114.86 3khe h TRP 159 Ca 0.00 -0.12 0.08 0.00 -0.00 0.00 0.00 58.89 58.85 3khe h TRP 159 Cb 0.52 -0.25 -0.06 0.00 -0.00 0.00 0.00 29.16 29.37 3khe h TRP 159 CO -0.19 0.80 0.46 1.25 -0.00 0.00 0.00 178.44 180.76 3khe h HIS 160 N 0.80 0.85 -0.72 2.65 2.76 -0.58 -0.56 115.15 120.35 3khe h HIS 160 Ca 0.16 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.36 3khe h HIS 160 Cb 0.42 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 29.08 3khe h HIS 160 CO 0.02 0.39 0.47 1.96 -1.30 0.00 0.00 177.93 179.47 3khe h GLN 161 N 0.82 0.95 -0.04 5.26 4.20 -0.88 -0.90 115.11 124.51 3khe h GLN 161 Ca 0.37 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.96 3khe h GLN 161 Cb 0.26 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3khe h GLN 161 CO -0.21 0.64 -0.17 0.28 -0.67 0.00 0.00 178.83 178.69 3khe h VAL 162 N 0.98 1.47 -0.59 -0.54 2.07 -1.05 -3.19 116.25 115.39 3khe h VAL 162 Ca 0.26 -1.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 3khe h VAL 162 Cb -0.10 2.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 3khe h VAL 162 CO -0.06 0.45 0.28 -0.07 0.02 0.00 0.00 177.57 178.20 3khe h LEU 163 N -0.37 0.74 -1.18 2.57 3.38 -0.92 -2.64 115.31 116.88 3khe h LEU 163 Ca -0.01 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 3khe h LEU 163 Cb 0.82 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3khe h LEU 163 CO 0.04 0.63 -0.33 0.06 0.09 0.00 0.00 178.44 178.93 3khe h GLN 164 N 0.82 0.14 0.00 1.13 3.07 -1.21 0.16 115.11 119.22 3khe h GLN 164 Ca 0.21 -0.05 -0.15 0.00 0.09 0.00 0.00 58.65 58.75 3khe h GLN 164 Cb 0.08 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.61 3khe h GLN 164 CO -0.03 0.46 -0.70 0.93 0.09 0.00 0.00 178.83 179.58 3khe h GLU 165 N 0.12 0.00 0.00 0.06 5.08 -1.47 -3.43 114.58 114.94 3khe h GLU 165 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3khe h GLU 165 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3khe h GLU 165 CO 0.05 0.70 0.00 0.00 -1.00 0.00 0.00 179.01 178.76 3khe n ASP 167 N 0.00 4.64 0.23 0.00 2.03 0.53 -4.73 116.55 119.25 3khe n ASP 167 Ca 0.00 -2.95 0.09 0.00 0.52 0.00 0.00 54.79 52.44 3khe n ASP 167 Cb 0.24 -1.62 0.55 0.00 -0.72 0.00 0.00 41.12 39.57 3khe n ASP 167 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 3khe h LYS 168 N 6.44 0.00 -0.23 -0.67 2.10 -1.91 -1.34 116.57 120.96 3khe h LYS 168 Ca 0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.11 3khe h LYS 168 Cb 0.72 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.05 3khe h LYS 168 CO 1.63 0.23 0.00 0.27 -2.00 0.00 0.00 179.45 179.57 3khe n ASN 169 N -3.75 2.57 -3.04 7.07 6.94 -1.26 -4.97 115.26 118.81 3khe n ASN 169 Ca -0.01 -1.85 -0.22 0.00 -0.02 0.00 0.00 54.58 52.47 3khe n ASN 169 Cb 0.33 -0.14 0.04 0.00 -2.36 0.00 0.00 39.78 37.65 3khe n ASN 169 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3khe n ASN 170 N 0.93 -6.11 -0.98 0.53 3.02 -0.51 -4.89 115.26 107.26 3khe n ASN 170 Ca 0.17 -0.32 0.11 0.00 -0.03 0.00 0.00 54.58 54.51 3khe n ASN 170 Cb 0.48 -4.89 0.16 0.00 -0.61 0.00 0.00 39.78 34.91 3khe n ASN 170 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3khe n ASP 171 N -2.51 3.10 0.00 6.41 5.75 -1.26 -4.96 116.55 123.08 3khe n ASP 171 Ca -0.09 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 3khe n ASP 171 Cb 0.61 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 3khe n ASP 171 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3khe n GLY 172 N 1.28 0.76 3.17 6.12 0.00 -1.26 -5.02 105.19 110.25 3khe n GLY 172 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 3khe n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3khe s GLU 173 N -0.20 0.84 -0.34 1.61 2.02 -1.26 -4.69 118.70 116.67 3khe s GLU 173 Ca 0.00 -1.34 -0.07 0.00 0.02 0.00 0.00 54.97 53.59 3khe s GLU 173 Cb 0.00 -0.20 0.04 0.00 0.10 0.00 0.00 34.13 34.07 3khe s GLU 173 CO 0.00 -0.02 0.11 0.08 0.02 0.00 0.00 175.26 175.45 3khe s VAL 174 N -3.63 3.81 0.76 2.63 1.01 -0.34 -4.79 120.40 119.84 3khe s VAL 174 Ca 0.12 -1.14 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 3khe s VAL 174 Cb 0.05 -3.16 0.11 0.00 0.00 0.00 0.00 36.38 33.38 3khe s VAL 174 CO -0.05 -0.19 1.07 1.51 0.00 0.00 0.00 175.10 177.44 3khe s ASP 175 N 1.43 4.28 0.22 3.32 1.47 -1.26 -0.45 116.67 125.68 3khe s ASP 175 Ca -0.01 0.11 -0.09 0.00 1.18 0.00 0.00 52.55 53.74 3khe s ASP 175 Cb -0.20 -0.54 0.19 0.00 -0.34 0.00 0.00 42.92 42.03 3khe s ASP 175 CO 0.03 -1.93 1.89 0.15 0.68 0.00 0.00 175.17 175.98 3khe h PHE 176 N -0.79 1.07 -0.54 2.11 3.57 -1.99 0.36 116.94 120.73 3khe h PHE 176 Ca -0.42 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.04 3khe h PHE 176 Cb 1.28 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 3khe h PHE 176 CO -0.20 0.69 0.10 0.93 -2.23 0.00 0.00 178.31 177.61 3khe h GLU 177 N 1.14 0.88 -0.56 1.11 3.07 -1.95 0.01 114.58 118.29 3khe h GLU 177 Ca 0.30 -0.23 -0.04 0.00 -0.50 0.00 0.00 59.36 58.90 3khe h GLU 177 Cb -0.10 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.68 3khe h GLU 177 CO -0.06 0.85 0.19 0.93 -1.40 0.00 0.00 179.01 179.52 3khe h GLU 178 N 0.77 0.85 -0.51 2.33 5.08 -1.77 -2.05 114.58 119.29 3khe h GLU 178 Ca 0.17 -0.17 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3khe h GLU 178 Cb 0.38 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 3khe h GLU 178 CO 0.01 0.76 0.30 0.35 -1.00 0.00 0.00 179.01 179.43 3khe h PHE 179 N 0.77 0.56 -0.41 4.33 3.57 0.60 -0.56 116.94 125.81 3khe h PHE 179 Ca 0.18 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 3khe h PHE 179 Cb 0.25 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 3khe h PHE 179 CO 0.01 0.31 0.15 0.28 -2.23 0.00 0.00 178.31 176.83 3khe h VAL 180 N 0.59 1.21 -0.92 1.41 2.07 -0.94 -2.33 116.25 117.34 3khe h VAL 180 Ca 0.21 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3khe h VAL 180 Cb 0.03 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 3khe h VAL 180 CO -0.10 0.23 0.55 -0.08 0.02 0.00 0.00 177.57 178.20 3khe h GLU 181 N 0.51 1.25 -0.41 1.57 4.57 -1.16 0.15 114.58 121.06 3khe h GLU 181 Ca 0.13 -0.12 0.07 0.00 -1.18 0.00 0.00 59.36 58.27 3khe h GLU 181 Cb 0.22 -0.26 -0.06 0.00 -0.16 0.00 0.00 28.75 28.49 3khe h GLU 181 CO -0.01 0.88 0.03 1.98 -1.18 0.00 0.00 179.01 180.71 3khe h MET 182 N 1.27 0.14 -0.11 1.92 4.05 -0.78 -2.01 114.93 119.42 3khe h MET 182 Ca 0.33 -0.01 -0.17 0.00 -0.28 0.00 0.00 59.70 59.57 3khe h MET 182 Cb -0.05 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.71 3khe h MET 182 CO -0.06 0.09 -0.64 0.52 0.23 0.00 0.00 176.91 177.05 3khe h MET 183 N 0.15 0.41 -0.81 0.39 2.86 -0.96 -1.96 114.93 115.01 3khe h MET 183 Ca 0.20 -0.30 0.06 0.00 -2.06 0.00 0.00 59.70 57.61 3khe h MET 183 Cb 0.27 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.92 3khe h MET 183 CO -0.30 0.92 0.49 1.96 1.06 0.00 0.00 176.91 181.03 3khe h GLN 184 N 0.30 0.85 -0.16 1.72 4.20 -0.36 -0.68 115.11 120.98 3khe h GLN 184 Ca -0.01 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 3khe h GLN 184 Cb 1.19 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.78 3khe h GLN 184 CO 0.11 0.56 -0.33 0.87 -0.67 0.00 0.00 178.83 179.37 3khe h LYS 185 N 0.88 0.50 -0.70 1.46 1.57 -1.25 0.60 116.57 119.62 3khe h LYS 185 Ca 0.36 -0.33 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3khe h LYS 185 Cb 0.20 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 3khe h LYS 185 CO -0.18 0.94 0.45 0.82 -0.57 0.00 0.00 179.45 180.91 3khe h ILE 186 N 0.13 1.13 -0.02 1.86 1.08 -1.23 -3.14 117.51 117.32 3khe h ILE 186 Ca 0.00 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 3khe h ILE 186 Cb 0.93 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 3khe h ILE 186 CO 0.07 0.16 -0.31 0.00 -0.69 0.00 0.00 178.15 177.38 3khe n ASP 188 N 0.39 -4.96 -3.86 0.00 2.03 0.13 -4.95 116.55 105.33 3khe n ASP 188 Ca 0.11 -1.01 -0.11 0.00 0.52 0.00 0.00 54.79 54.30 3khe n ASP 188 Cb 0.50 -3.40 -0.11 0.00 -0.72 0.00 0.00 41.12 37.39 3khe n ASP 188 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3khe s VAL 189 N -3.50 0.05 -0.24 5.18 0.11 -0.76 -5.05 120.40 116.20 3khe s VAL 189 Ca 0.44 -0.43 -0.13 0.00 -2.93 0.00 0.00 61.98 58.93 3khe s VAL 189 Cb -0.15 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 3khe s VAL 189 CO 0.86 -0.24 0.27 -0.54 -3.33 0.00 0.00 175.10 172.13 3khe s LYS 190 N -0.80 4.08 0.00 1.54 3.01 -1.26 -4.51 119.74 121.80 3khe s LYS 190 Ca -0.09 -0.08 0.27 0.00 -1.01 0.00 0.00 55.97 55.07 3khe s LYS 190 Cb -0.05 -3.57 0.83 0.00 -1.01 0.00 0.00 37.83 34.03 3khe s LYS 190 CO 0.01 -0.06 1.62 0.28 0.51 0.00 0.00 175.35 177.71