#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hgy h PRO 7 N 0.00 -0.09 -0.77 1.09 0.13 -2.06 -2.08 132.00 128.23 3hgy h PRO 7 Ca 0.00 0.01 0.05 0.00 -0.87 0.00 0.00 66.00 65.19 3hgy h PRO 7 Cb 0.00 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.09 3hgy h PRO 7 CO 0.00 -0.06 0.47 0.77 -0.23 0.00 0.00 178.00 178.95 3hgy h SER 8 N -0.09 0.73 -0.43 1.44 0.02 -2.05 -0.82 113.55 112.35 3hgy h SER 8 Ca 0.26 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.24 3hgy h SER 8 Cb 0.49 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 3hgy h SER 8 CO -0.62 0.48 0.26 1.56 -1.14 0.00 0.00 176.83 177.37 3hgy h GLN 9 N 0.87 0.51 -0.89 3.45 4.20 -1.95 -2.00 115.11 119.31 3hgy h GLN 9 Ca 0.33 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 3hgy h GLN 9 Cb 0.13 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 3hgy h GLN 9 CO -0.16 0.34 0.52 0.87 -0.67 0.00 0.00 178.83 179.73 3hgy h LYS 10 N 0.53 1.22 0.40 1.46 1.57 -0.65 0.16 116.57 121.26 3hgy h LYS 10 Ca 0.17 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3hgy h LYS 10 Cb -0.00 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.06 3hgy h LYS 10 CO -0.07 0.87 -0.22 0.28 -0.57 0.00 0.00 179.45 179.74 3hgy h VAL 11 N 1.23 0.55 -0.76 0.50 2.07 -0.84 -1.03 116.25 117.98 3hgy h VAL 11 Ca 0.32 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.88 3hgy h VAL 11 Cb -0.02 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 3hgy h VAL 11 CO -0.06 0.00 0.47 -0.07 0.02 0.00 0.00 177.57 177.93 3hgy h LEU 12 N -0.57 0.75 -1.41 2.57 3.38 -1.14 -0.36 115.31 118.53 3hgy h LEU 12 Ca -0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3hgy h LEU 12 Cb 0.46 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3hgy h LEU 12 CO 0.07 0.51 0.27 0.00 0.09 0.00 0.00 178.44 179.38 3hgy h ALA 13 N 1.34 1.55 -0.25 1.53 0.00 -0.45 -0.39 119.26 122.59 3hgy h ALA 13 Ca 0.32 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 3hgy h ALA 13 Cb 0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3hgy h ALA 13 CO -0.14 0.38 -0.40 -0.09 0.00 0.00 0.00 179.25 179.00 3hgy h ARG 14 N 0.68 0.72 -0.76 0.00 2.43 0.21 -2.51 114.38 115.15 3hgy h ARG 14 Ca 0.18 -0.44 0.07 0.00 -0.81 0.00 0.00 59.98 58.98 3hgy h ARG 14 Cb 0.01 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.55 3hgy h ARG 14 CO -0.03 1.06 0.44 1.96 -1.51 0.00 0.00 179.97 181.88 3hgy h GLN 15 N 0.45 0.75 -0.07 0.20 4.20 -0.76 -1.56 115.11 118.32 3hgy h GLN 15 Ca 0.02 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3hgy h GLN 15 Cb 1.00 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.60 3hgy h GLN 15 CO 0.09 0.50 -0.01 0.93 -0.67 0.00 0.00 178.83 179.67 3hgy h GLU 16 N 0.78 0.09 -0.11 1.46 4.39 -0.89 -2.45 114.58 117.85 3hgy h GLU 16 Ca 0.35 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 60.01 3hgy h GLU 16 Cb 0.25 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3hgy h GLU 16 CO -0.21 0.11 -0.04 -0.22 -1.16 0.00 0.00 179.01 177.50 3hgy h LYS 17 N 0.09 0.22 -0.07 2.33 1.63 -0.86 -1.97 116.57 117.94 3hgy h LYS 17 Ca 0.02 -0.09 0.02 0.00 -0.85 0.00 0.00 60.65 59.75 3hgy h LYS 17 Cb 0.08 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 3hgy h LYS 17 CO 0.00 0.55 -0.05 0.82 -3.45 0.00 0.00 179.45 177.33 3hgy h ILE 18 N -0.13 0.85 -0.19 2.00 1.08 -1.26 0.38 117.51 120.24 3hgy h ILE 18 Ca 0.03 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.51 3hgy h ILE 18 Cb 0.48 0.85 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 3hgy h ILE 18 CO 0.01 0.00 0.08 0.11 -0.69 0.00 0.00 178.15 177.66 3hgy h LYS 19 N -0.06 0.17 -0.54 2.37 1.57 -1.50 -0.22 116.57 118.36 3hgy h LYS 19 Ca 0.05 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3hgy h LYS 19 Cb 0.12 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 3hgy h LYS 19 CO -0.11 0.11 0.30 0.00 -0.57 0.00 0.00 179.45 179.19 3hgy h ALA 20 N 1.11 0.70 -0.33 3.86 0.00 -1.20 0.14 119.26 123.53 3hgy h ALA 20 Ca 0.08 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3hgy h ALA 20 Cb 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3hgy h ALA 20 CO -0.07 -0.02 0.18 0.28 0.00 0.00 0.00 179.25 179.62 3hgy h VAL 21 N 0.58 1.02 -0.61 0.00 2.07 -0.77 -1.69 116.25 116.84 3hgy h VAL 21 Ca 0.23 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.63 3hgy h VAL 21 Cb 0.10 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3hgy h VAL 21 CO -0.14 0.07 0.39 0.00 0.02 0.00 0.00 177.57 177.91 3hgy h ALA 22 N 1.16 0.77 -0.13 1.67 0.00 -0.16 -1.10 119.26 121.46 3hgy h ALA 22 Ca 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hgy h ALA 22 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hgy h ALA 22 CO -0.07 0.22 0.05 1.25 0.00 0.00 0.00 179.25 180.70 3hgy h LEU 23 N 0.82 0.18 -0.63 0.00 5.85 -0.67 0.12 115.31 121.00 3hgy h LEU 23 Ca 0.22 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.82 3hgy h LEU 23 Cb -0.07 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 3hgy h LEU 23 CO -0.05 0.31 0.33 -0.08 -0.34 0.00 0.00 178.44 178.62 3hgy h GLU 24 N 0.04 0.59 -0.57 1.25 4.57 -1.06 -0.59 114.58 118.81 3hgy h GLU 24 Ca 0.04 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 3hgy h GLU 24 Cb 0.19 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 3hgy h GLU 24 CO -0.00 0.39 0.13 -0.07 -1.18 0.00 0.00 179.01 178.28 3hgy h LEU 25 N 0.61 0.83 -1.30 1.64 3.38 -0.98 0.43 115.31 119.92 3hgy h LEU 25 Ca 0.29 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3hgy h LEU 25 Cb 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3hgy h LEU 25 CO -0.19 0.82 -0.09 -0.26 0.09 0.00 0.00 178.44 178.80 3hgy h PHE 26 N 0.85 0.38 0.14 1.13 0.04 0.21 -0.54 116.94 119.14 3hgy h PHE 26 Ca 0.18 -0.04 -0.33 0.00 2.80 0.00 0.00 57.97 60.58 3hgy h PHE 26 Cb 0.32 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.36 3hgy h PHE 26 CO 0.02 0.46 -1.65 -0.07 -0.60 0.00 0.00 178.31 176.46 3hgy h LEU 27 N 0.34 0.46 0.00 1.54 3.38 -0.49 -2.88 115.31 117.67 3hgy h LEU 27 Ca 0.07 -0.69 -0.08 0.00 0.09 0.00 0.00 57.88 57.27 3hgy h LEU 27 Cb 0.38 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3hgy h LEU 27 CO 0.02 1.58 -0.66 0.71 0.09 0.00 0.00 178.44 180.19 3hgy h THR 28 N 0.08 0.49 0.09 0.22 1.35 -0.96 -3.41 112.91 110.78 3hgy h THR 28 Ca -0.29 -1.54 -0.26 0.00 -0.55 0.00 0.00 66.41 63.77 3hgy h THR 28 Cb 2.05 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 69.57 3hgy h THR 28 CO 0.16 0.17 -1.17 0.50 -0.25 0.00 0.00 175.52 174.92 3hgy h LYS 29 N -1.00 0.20 0.00 4.72 3.64 -1.29 -3.50 116.57 119.33 3hgy h LYS 29 Ca -0.12 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 3hgy h LYS 29 Cb 0.77 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3hgy h LYS 29 CO -0.07 1.16 0.00 0.41 -2.27 0.00 0.00 179.45 178.68 3hgy n GLY 30 N 1.48 3.04 0.32 5.01 0.00 -0.90 -4.72 105.19 109.41 3hgy n GLY 30 Ca -0.06 -1.62 -0.06 0.00 0.00 0.00 0.00 46.02 44.28 3hgy n GLY 30 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3hgy h TYR 31 N 0.00 1.11 0.00 1.61 3.20 -1.81 -2.55 116.97 118.53 3hgy h TYR 31 Ca 0.00 -0.08 -0.19 0.00 3.14 0.00 0.00 58.73 61.60 3hgy h TYR 31 Cb 0.00 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 37.92 3hgy h TYR 31 CO 0.00 0.84 -0.86 1.96 -1.64 0.00 0.00 178.16 178.46 3hgy h GLN 32 N 1.06 0.16 0.00 1.82 1.08 -1.93 -3.18 115.11 114.12 3hgy h GLN 32 Ca 0.25 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 3hgy h GLN 32 Cb 0.19 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3hgy h GLN 32 CO -0.02 0.92 -0.61 -1.91 -0.95 0.00 0.00 178.83 176.26 3hgy n GLU 33 N -3.65 0.21 -2.64 1.46 4.07 -1.21 -4.79 120.64 114.10 3hgy n GLU 33 Ca -0.03 0.05 -0.42 0.00 -0.06 0.00 0.00 57.16 56.70 3hgy n GLU 33 Cb 0.80 -1.62 -0.03 0.00 -0.06 0.00 0.00 31.44 30.53 3hgy n GLU 33 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 3hgy s THR 34 N -3.12 4.67 0.31 6.31 2.01 -0.97 -5.03 115.64 119.83 3hgy s THR 34 Ca 0.07 1.94 0.08 0.00 0.31 0.00 0.00 61.69 64.09 3hgy s THR 34 Cb 0.15 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 3hgy s THR 34 CO 0.72 0.05 0.20 -0.94 -0.69 0.00 0.00 174.62 173.96 3hgy s SER 35 N 1.13 5.10 0.28 3.53 1.04 -1.26 -4.97 113.70 118.55 3hgy s SER 35 Ca 0.51 -0.53 -0.02 0.00 0.48 0.00 0.00 55.95 56.39 3hgy s SER 35 Cb -0.21 -0.99 0.60 0.00 0.10 0.00 0.00 66.02 65.52 3hgy s SER 35 CO 0.22 -0.23 1.62 0.25 0.98 0.00 0.00 173.24 176.08 3hgy h LEU 36 N 1.45 -0.31 -0.70 2.42 5.85 -1.96 -1.62 115.31 120.43 3hgy h LEU 36 Ca -0.45 0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 3hgy h LEU 36 Cb 1.25 0.37 -0.03 0.00 0.37 0.00 0.00 40.66 42.62 3hgy h LEU 36 CO 0.60 -0.23 0.23 -1.28 -0.34 0.00 0.00 178.44 177.42 3hgy h SER 37 N 0.10 1.02 -0.94 1.25 0.87 -1.99 0.26 113.55 114.13 3hgy h SER 37 Ca 0.50 -0.20 0.19 0.00 -1.23 0.00 0.00 61.79 61.05 3hgy h SER 37 Cb 0.97 -0.27 -0.11 0.00 -0.44 0.00 0.00 62.40 62.56 3hgy h SER 37 CO -0.75 0.95 0.51 0.44 -0.53 0.00 0.00 176.83 177.46 3hgy h ASP 38 N 1.03 0.61 -0.15 6.23 5.19 -1.69 0.14 116.42 127.77 3hgy h ASP 38 Ca 0.23 0.11 -0.16 0.00 -0.62 0.00 0.00 57.03 56.59 3hgy h ASP 38 Cb 0.29 0.02 0.01 0.00 0.18 0.00 0.00 39.33 39.82 3hgy h ASP 38 CO -0.01 0.19 -0.54 0.40 -3.12 0.00 0.00 179.24 176.16 3hgy h ILE 39 N 0.63 1.33 -0.26 0.35 2.04 -0.39 -2.88 117.51 118.33 3hgy h ILE 39 Ca 0.55 -1.80 -0.00 0.00 1.00 0.00 0.00 64.86 64.60 3hgy h ILE 39 Cb 0.89 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 3hgy h ILE 39 CO -0.42 0.56 0.15 0.40 0.00 0.00 0.00 178.15 178.84 3hgy h ILE 40 N 0.30 1.11 -0.01 -0.67 2.04 -0.82 -2.31 117.51 117.15 3hgy h ILE 40 Ca -0.02 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.58 3hgy h ILE 40 Cb 1.17 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 38.02 3hgy h ILE 40 CO 0.11 0.11 -0.43 0.50 0.00 0.00 0.00 178.15 178.45 3hgy h LYS 41 N 0.32 -0.56 0.00 2.37 3.64 -0.76 -1.56 116.57 120.03 3hgy h LYS 41 Ca 0.09 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3hgy h LYS 41 Cb 0.05 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3hgy h LYS 41 CO -0.02 -0.37 0.00 1.28 -2.27 0.00 0.00 179.45 178.07 3hgy n LEU 42 N -5.45 0.31 0.15 5.20 4.32 -1.09 -1.16 117.00 119.27 3hgy n LEU 42 Ca -0.06 0.55 0.12 0.00 -0.02 0.00 0.00 56.01 56.61 3hgy n LEU 42 Cb 0.37 -0.48 0.22 0.00 -1.62 0.00 0.00 43.42 41.92 3hgy n LEU 42 CO 0.15 -0.23 0.67 0.28 -1.22 0.00 0.00 177.39 177.05 3hgy h SER 43 N 0.00 0.00 0.00 -1.43 0.02 -0.80 -3.50 113.55 107.84 3hgy h SER 43 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3hgy h SER 43 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3hgy h SER 43 CO 0.00 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 3hgy n GLY 44 N 1.21 -0.09 1.18 -3.77 0.00 -0.31 -3.16 105.19 100.25 3hgy n GLY 44 Ca 0.04 -0.99 -0.03 0.00 0.00 0.00 0.00 46.02 45.04 3hgy n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hgy n GLY 45 N 0.00 2.39 1.54 -0.02 0.00 -1.26 -2.71 105.19 105.13 3hgy n GLY 45 Ca 0.00 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.77 3hgy n GLY 45 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hgy n SER 46 N 0.09 5.00 0.00 1.61 2.88 -1.19 -4.76 113.62 117.25 3hgy n SER 46 Ca 0.14 -2.83 0.00 0.00 -1.33 0.00 0.00 58.87 54.86 3hgy n SER 46 Cb 0.72 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 3hgy n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hgy n TYR 47 N 0.44 0.00 -3.18 0.66 4.19 -1.10 -4.93 117.16 113.23 3hgy n TYR 47 Ca 0.25 0.00 -0.20 0.00 3.31 0.00 0.00 57.90 61.26 3hgy n TYR 47 Cb 1.04 0.00 0.02 0.00 0.49 0.00 0.00 39.34 40.89 3hgy n TYR 47 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 3hgy n SER 48 N -0.28 -6.66 -3.35 2.98 7.64 -1.26 -4.58 113.62 108.12 3hgy n SER 48 Ca 0.00 0.30 -0.28 0.00 1.01 0.00 0.00 58.87 59.90 3hgy n SER 48 Cb 0.00 -3.14 0.03 0.00 -1.01 0.00 0.00 64.21 60.09 3hgy n SER 48 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3hgy n ASN 49 N 0.09 -6.05 -2.77 6.43 3.02 -1.26 -5.03 115.26 109.70 3hgy n ASN 49 Ca -0.00 0.07 -0.09 0.00 -0.03 0.00 0.00 54.58 54.53 3hgy n ASN 49 Cb 0.52 -2.18 -0.02 0.00 -0.61 0.00 0.00 39.78 37.50 3hgy n ASN 49 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3hgy n ILE 50 N 0.09 0.00 -3.81 2.41 -5.35 -1.26 -5.14 119.36 106.30 3hgy n ILE 50 Ca -0.05 -0.67 -0.29 0.00 -0.27 0.00 0.00 62.75 61.48 3hgy n ILE 50 Cb 0.61 0.03 -0.16 0.00 -1.74 0.00 0.00 39.64 38.38 3hgy n ILE 50 CO 0.00 0.00 0.00 -0.72 -1.76 0.00 0.00 176.55 174.07 3hgy s TYR 51 N -1.36 1.67 0.00 4.28 -0.85 -1.26 -4.62 117.35 115.21 3hgy s TYR 51 Ca 0.02 -1.38 0.00 0.00 -0.52 0.00 0.00 57.07 55.18 3hgy s TYR 51 Cb -0.00 -1.40 0.00 0.00 0.38 0.00 0.00 41.96 40.94 3hgy s TYR 51 CO 0.01 -0.73 0.00 -3.47 -1.52 0.00 0.00 175.55 169.84 3hgy n ASP 52 N 4.87 0.00 -0.48 -0.18 2.03 -1.26 -4.88 116.55 116.64 3hgy n ASP 52 Ca -0.08 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.30 3hgy n ASP 52 Cb 0.45 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 41.01 3hgy n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hgy n GLY 53 N 0.00 3.72 2.57 0.27 0.00 -1.26 -4.77 105.19 105.72 3hgy n GLY 53 Ca 0.00 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 3hgy n GLY 53 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hgy n PHE 54 N -0.46 2.65 -0.52 1.61 0.99 -1.26 -2.83 117.46 117.65 3hgy n PHE 54 Ca 0.14 -2.74 0.00 0.00 -0.00 0.00 0.00 57.45 54.85 3hgy n PHE 54 Cb 0.60 -1.64 0.00 0.00 -1.00 0.00 0.00 39.48 37.44 3hgy n PHE 54 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3hgy n LYS 55 N 1.33 -0.14 -3.47 -1.08 5.02 -1.26 -4.52 118.16 114.03 3hgy n LYS 55 Ca 0.55 -0.20 -0.10 0.00 -2.02 0.00 0.00 58.31 56.55 3hgy n LYS 55 Cb 0.26 -0.67 -0.02 0.00 -0.02 0.00 0.00 35.03 34.57 3hgy n LYS 55 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3hgy s SER 56 N -0.04 -0.45 0.40 4.39 1.04 -1.26 -5.06 113.70 112.73 3hgy s SER 56 Ca 0.00 0.02 0.21 0.00 0.48 0.00 0.00 55.95 56.66 3hgy s SER 56 Cb 0.00 0.47 0.67 0.00 0.10 0.00 0.00 66.02 67.26 3hgy s SER 56 CO 0.00 -0.75 1.72 0.07 0.98 0.00 0.00 173.24 175.26 3hgy h LYS 57 N 2.03 0.00 -0.30 4.02 2.10 -1.94 -2.89 116.57 119.58 3hgy h LYS 57 Ca -0.27 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.30 3hgy h LYS 57 Cb 1.26 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.59 3hgy h LYS 57 CO 0.34 0.30 -0.13 0.93 -2.00 0.00 0.00 179.45 178.89 3hgy h GLU 58 N 0.00 0.61 -0.46 0.07 3.07 -1.97 -2.21 114.58 113.69 3hgy h GLU 58 Ca -0.00 -0.26 0.07 0.00 -0.50 0.00 0.00 59.36 58.67 3hgy h GLU 58 Cb 0.92 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.75 3hgy h GLU 58 CO 0.04 0.83 0.11 0.78 -1.40 0.00 0.00 179.01 179.38 3hgy h GLY 59 N 0.37 0.57 0.86 -3.84 0.00 -1.69 -1.49 103.07 97.84 3hgy h GLY 59 Ca 0.07 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.39 3hgy h GLY 59 CO 0.04 -0.03 0.63 1.41 0.00 0.00 0.00 176.54 178.59 3hgy h LEU 60 N 0.26 1.05 -0.52 3.11 3.38 -1.35 -0.79 115.31 120.45 3hgy h LEU 60 Ca 0.22 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3hgy h LEU 60 Cb 0.27 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3hgy h LEU 60 CO -0.27 0.71 0.27 0.15 0.09 0.00 0.00 178.44 179.39 3hgy h PHE 61 N 1.21 0.72 0.00 1.13 3.57 -0.93 -1.61 116.94 121.03 3hgy h PHE 61 Ca 0.39 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.77 3hgy h PHE 61 Cb 0.03 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 3hgy h PHE 61 CO -0.01 0.54 -0.50 0.74 -2.23 0.00 0.00 178.31 176.85 3hgy h PHE 62 N 0.69 0.00 -0.16 0.41 -1.00 -0.79 -2.21 116.94 113.88 3hgy h PHE 62 Ca 0.18 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.90 3hgy h PHE 62 Cb 0.07 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 3hgy h PHE 62 CO -0.01 0.50 -0.17 0.93 -1.61 0.00 0.00 178.31 177.95 3hgy h GLU 63 N 0.00 0.27 -0.35 1.51 4.39 -0.79 -0.98 114.58 118.63 3hgy h GLU 63 Ca -0.00 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 3hgy h GLU 63 Cb 1.17 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 3hgy h GLU 63 CO 0.06 0.44 -0.19 0.82 -1.16 0.00 0.00 179.01 178.99 3hgy h ILE 64 N 0.25 1.29 -0.40 3.13 2.04 -0.86 -3.09 117.51 119.88 3hgy h ILE 64 Ca 0.05 -1.32 -0.09 0.00 1.00 0.00 0.00 64.86 64.50 3hgy h ILE 64 Cb 0.45 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 3hgy h ILE 64 CO 0.03 0.43 -0.11 -0.07 0.00 0.00 0.00 178.15 178.43 3hgy h LEU 65 N 0.52 0.69 -0.48 1.44 3.38 -0.93 -1.48 115.31 118.45 3hgy h LEU 65 Ca 0.07 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 57.93 3hgy h LEU 65 Cb 0.74 -0.19 -0.10 0.00 0.09 0.00 0.00 40.66 41.20 3hgy h LEU 65 CO 0.06 0.83 -0.38 0.44 0.09 0.00 0.00 178.44 179.47 3hgy h ASP 66 N 0.64 -1.29 -0.95 -0.43 3.32 -1.23 0.31 116.42 116.79 3hgy h ASP 66 Ca 0.11 0.22 0.05 0.00 0.02 0.00 0.00 57.03 57.43 3hgy h ASP 66 Cb 0.56 0.60 -0.06 0.00 0.22 0.00 0.00 39.33 40.65 3hgy h ASP 66 CO 0.04 -0.34 0.61 0.44 -1.72 0.00 0.00 179.24 178.27 3hgy h ASP 67 N -0.25 0.99 -0.10 6.45 3.32 -1.21 0.13 116.42 125.75 3hgy h ASP 67 Ca 0.18 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.01 3hgy h ASP 67 Cb 0.56 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.92 3hgy h ASP 67 CO -0.62 0.65 -0.82 0.40 -1.72 0.00 0.00 179.24 177.13 3hgy h ILE 68 N 1.14 1.29 -0.54 0.35 2.04 -0.69 0.06 117.51 121.17 3hgy h ILE 68 Ca 0.40 -2.04 -0.07 0.00 1.00 0.00 0.00 64.86 64.15 3hgy h ILE 68 Cb 0.10 2.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 3hgy h ILE 68 CO -0.15 0.64 0.07 0.00 0.00 0.00 0.00 178.15 178.71 3hgy h LYS 70 N 0.78 1.18 -0.70 0.00 3.64 -0.89 -0.90 116.57 119.68 3hgy h LYS 70 Ca 0.16 -0.22 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 3hgy h LYS 70 Cb 0.43 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 3hgy h LYS 70 CO 0.01 0.96 0.27 -0.22 -2.27 0.00 0.00 179.45 178.20 3hgy h LYS 71 N 1.14 1.05 -0.25 1.90 1.63 -0.37 -2.86 116.57 118.81 3hgy h LYS 71 Ca 0.26 -0.20 -0.19 0.00 -0.85 0.00 0.00 60.65 59.68 3hgy h LYS 71 Cb 0.23 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 3hgy h LYS 71 CO -0.02 0.88 -0.58 0.45 -3.45 0.00 0.00 179.45 176.73 3hgy h HIS 72 N 1.00 1.06 -0.13 1.91 3.86 -0.23 -2.73 115.15 119.88 3hgy h HIS 72 Ca 0.23 -0.40 0.05 0.00 -1.16 0.00 0.00 60.37 59.09 3hgy h HIS 72 Cb 0.22 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 28.44 3hgy h HIS 72 CO 0.02 1.22 -0.32 0.35 0.86 0.00 0.00 177.93 180.06 3hgy h PHE 73 N 0.59 -0.88 -0.09 2.45 3.57 -1.21 0.16 116.94 121.53 3hgy h PHE 73 Ca -0.00 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.58 3hgy h PHE 73 Cb 1.19 0.41 -0.05 0.00 2.79 0.00 0.00 35.95 40.29 3hgy h PHE 73 CO 0.08 -0.40 -0.23 1.25 -2.23 0.00 0.00 178.31 176.78 3hgy h HIS 74 N -0.40 -0.62 -0.66 0.41 2.76 -1.53 0.54 115.15 115.65 3hgy h HIS 74 Ca 0.10 0.03 0.13 0.00 -2.20 0.00 0.00 60.37 58.43 3hgy h HIS 74 Cb 0.55 0.29 -0.10 0.00 1.55 0.00 0.00 27.41 29.69 3hgy h HIS 74 CO -0.41 -0.32 0.11 1.25 -1.30 0.00 0.00 177.93 177.27 3hgy h LEU 75 N -0.32 -0.06 -0.09 0.26 6.46 -1.21 0.32 115.31 120.67 3hgy h LEU 75 Ca 0.09 0.14 -0.23 0.00 -0.12 0.00 0.00 57.88 57.75 3hgy h LEU 75 Cb 0.45 0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.57 3hgy h LEU 75 CO -0.27 -0.04 -1.03 0.40 -0.62 0.00 0.00 178.44 176.88 3hgy h ILE 76 N 0.23 1.50 -0.04 4.05 2.04 -0.52 -2.83 117.51 121.94 3hgy h ILE 76 Ca 0.36 -2.82 -0.01 0.00 1.00 0.00 0.00 64.86 63.39 3hgy h ILE 76 Cb 0.57 2.66 -0.00 0.00 -0.74 0.00 0.00 36.82 39.32 3hgy h ILE 76 CO -0.48 0.82 -0.00 0.22 0.00 0.00 0.00 178.15 178.71 3hgy h TYR 77 N 0.11 0.07 -0.57 1.37 5.03 -0.53 -2.63 116.97 119.82 3hgy h TYR 77 Ca -0.08 -0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.32 3hgy h TYR 77 Cb 1.71 -0.02 -0.08 0.00 1.55 0.00 0.00 36.73 39.89 3hgy h TYR 77 CO 0.04 0.38 0.10 1.03 -1.32 0.00 0.00 178.16 178.39 3hgy h SER 78 N -0.25 -0.04 0.34 -2.11 0.87 -1.01 -1.84 113.55 109.51 3hgy h SER 78 Ca 0.01 0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.61 3hgy h SER 78 Cb 0.35 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 3hgy h SER 78 CO 0.00 -0.00 -0.34 0.11 -0.53 0.00 0.00 176.83 176.07 3hgy h LYS 79 N 0.23 0.00 0.12 2.24 1.79 -1.50 -2.83 116.57 116.63 3hgy h LYS 79 Ca 0.30 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.76 3hgy h LYS 79 Cb 0.44 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 3hgy h LYS 79 CO -0.40 0.34 -0.06 1.79 -1.08 0.00 0.00 179.45 180.05 3hgy h THR 80 N 0.00 0.92 0.00 -0.16 1.35 -1.00 -3.28 112.91 110.74 3hgy h THR 80 Ca -0.00 -1.28 -0.00 0.00 -0.55 0.00 0.00 66.41 64.58 3hgy h THR 80 Cb 0.60 1.59 -0.00 0.00 -1.73 0.00 0.00 68.15 68.62 3hgy h THR 80 CO 0.04 0.26 -0.00 0.06 -0.25 0.00 0.00 175.52 175.63 3hgy h GLN 81 N -0.88 0.00 -3.95 4.72 3.07 -1.41 -3.31 115.11 113.36 3hgy h GLN 81 Ca -0.02 0.00 -0.54 0.00 0.09 0.00 0.00 58.65 58.18 3hgy h GLN 81 Cb 0.54 0.00 0.03 0.00 0.08 0.00 0.00 27.48 28.13 3hgy h GLN 81 CO 0.03 0.00 2.56 0.39 0.09 0.00 0.00 178.83 181.90 3hgy n GLU 82 N -3.12 1.94 0.00 0.06 -0.58 -1.07 -4.04 120.64 113.83 3hgy n GLU 82 Ca -0.02 -1.75 0.00 0.00 -0.42 0.00 0.00 57.16 54.96 3hgy n GLU 82 Cb 0.11 -2.75 0.00 0.00 -0.57 0.00 0.00 31.44 28.23 3hgy n GLU 82 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 3hgy n ILE 83 N 5.08 0.00 0.00 -3.67 -5.35 -1.25 -5.01 119.36 109.17 3hgy n ILE 83 Ca 0.49 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.97 3hgy n ILE 83 Cb 0.28 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.92 3hgy n ILE 83 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 3hgy n LYS 84 N -1.99 0.00 0.00 6.28 3.00 -1.26 -4.93 118.16 119.26 3hgy n LYS 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3hgy n LYS 84 Cb 0.03 -2.56 0.00 0.00 0.00 0.00 0.00 35.03 32.50 3hgy n LYS 84 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3hgy n ASN 85 N 0.00 0.00 -3.55 3.14 3.02 -1.26 -5.11 115.26 111.50 3hgy n ASN 85 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.39 3hgy n ASN 85 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 3hgy n ASN 85 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3hgy s GLY 86 N 0.00 -0.50 0.50 7.41 0.00 -1.26 -5.16 107.32 108.30 3hgy s GLY 86 Ca 0.00 0.96 -0.23 0.00 0.00 0.00 0.00 44.72 45.46 3hgy s GLY 86 CO 0.00 0.64 1.30 -0.51 0.00 0.00 0.00 173.10 174.53 3hgy s THR 87 N -1.76 2.43 0.38 0.90 -4.23 -1.26 -4.82 115.64 107.27 3hgy s THR 87 Ca -0.09 0.33 0.16 0.00 -1.18 0.00 0.00 61.69 60.92 3hgy s THR 87 Cb -0.01 -3.17 0.37 0.00 1.34 0.00 0.00 72.50 71.03 3hgy s THR 87 CO 0.04 0.01 1.76 0.25 -0.54 0.00 0.00 174.62 176.14 3hgy h LEU 88 N 1.86 0.51 0.11 4.79 5.85 -2.01 -0.61 115.31 125.80 3hgy h LEU 88 Ca -0.50 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.34 3hgy h LEU 88 Cb 1.28 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.28 3hgy h LEU 88 CO 0.59 0.09 -0.42 0.50 -0.34 0.00 0.00 178.44 178.85 3hgy h LYS 89 N 0.44 -0.63 -0.85 1.25 3.64 -1.99 0.11 116.57 118.55 3hgy h LYS 89 Ca 0.61 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 60.11 3hgy h LYS 89 Cb 1.45 0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 33.35 3hgy h LYS 89 CO -0.35 -0.42 0.55 0.93 -2.27 0.00 0.00 179.45 177.90 3hgy h GLU 90 N -0.65 0.88 0.05 1.90 5.08 -1.51 -2.07 114.58 118.27 3hgy h GLU 90 Ca 0.02 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3hgy h GLU 90 Cb 0.68 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3hgy h GLU 90 CO -0.25 0.59 -0.02 0.82 -1.00 0.00 0.00 179.01 179.14 3hgy h ILE 91 N 0.91 1.29 -0.56 3.13 2.04 -0.54 -1.62 117.51 122.16 3hgy h ILE 91 Ca 0.37 -1.30 0.11 0.00 1.00 0.00 0.00 64.86 65.05 3hgy h ILE 91 Cb 0.27 2.12 -0.09 0.00 -0.74 0.00 0.00 36.82 38.38 3hgy h ILE 91 CO -0.14 0.32 0.00 -0.07 0.00 0.00 0.00 178.15 178.26 3hgy h LEU 92 N -0.67 -0.24 -0.34 1.44 4.07 -0.79 -0.57 115.31 118.22 3hgy h LEU 92 Ca -0.01 0.14 -0.19 0.00 0.08 0.00 0.00 57.88 57.90 3hgy h LEU 92 Cb 0.57 0.24 -0.00 0.00 1.08 0.00 0.00 40.66 42.55 3hgy h LEU 92 CO 0.01 -0.09 -0.77 0.71 -1.08 0.00 0.00 178.44 177.22 3hgy h THR 93 N 0.12 1.37 -0.36 0.22 1.35 -1.37 0.27 112.91 114.52 3hgy h THR 93 Ca 0.29 -2.18 -0.01 0.00 -0.55 0.00 0.00 66.41 63.96 3hgy h THR 93 Cb 0.45 2.15 -0.02 0.00 -1.73 0.00 0.00 68.15 69.01 3hgy h THR 93 CO -0.47 0.66 0.19 -1.28 -0.25 0.00 0.00 175.52 174.36 3hgy h SER 94 N 0.29 0.45 -0.37 5.36 0.87 -1.06 -0.03 113.55 119.07 3hgy h SER 94 Ca -0.04 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 3hgy h SER 94 Cb 1.36 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.19 3hgy h SER 94 CO 0.13 0.41 0.20 0.15 -0.53 0.00 0.00 176.83 177.20 3hgy h PHE 95 N 0.45 0.50 -0.34 2.24 3.57 -0.99 -3.10 116.94 119.26 3hgy h PHE 95 Ca 0.12 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.65 3hgy h PHE 95 Cb 0.07 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.58 3hgy h PHE 95 CO -0.03 0.38 -0.42 0.78 -2.23 0.00 0.00 178.31 176.80 3hgy h GLY 96 N 0.47 -1.26 0.10 2.40 0.00 0.06 -1.30 103.07 103.54 3hgy h GLY 96 Ca 0.13 0.76 0.13 0.00 0.00 0.00 0.00 47.33 48.36 3hgy h GLY 96 CO -0.02 -0.27 0.18 1.41 0.00 0.00 0.00 176.54 177.83 3hgy h LEU 97 N -0.27 0.06 -0.15 3.11 3.38 -1.03 0.58 115.31 120.99 3hgy h LEU 97 Ca 0.06 0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 3hgy h LEU 97 Cb 0.43 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3hgy h LEU 97 CO -0.47 0.02 -0.24 0.00 0.09 0.00 0.00 178.44 177.84 3hgy h ALA 98 N 1.53 0.24 0.52 1.53 0.00 -1.42 -2.21 119.26 119.45 3hgy h ALA 98 Ca 0.36 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3hgy h ALA 98 Cb 0.57 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.32 3hgy h ALA 98 CO -0.43 0.21 -0.25 0.35 0.00 0.00 0.00 179.25 179.13 3hgy h PHE 99 N 0.06 -0.64 -0.52 0.00 3.57 -0.67 -2.60 116.94 116.14 3hgy h PHE 99 Ca 0.01 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.55 3hgy h PHE 99 Cb 0.82 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 3hgy h PHE 99 CO 0.09 -0.37 0.35 0.97 -2.23 0.00 0.00 178.31 177.12 3hgy h ILE 100 N -0.77 1.00 -0.44 1.41 2.10 -0.99 -1.97 117.51 117.85 3hgy h ILE 100 Ca -0.07 -0.17 -0.11 0.00 1.08 0.00 0.00 64.86 65.59 3hgy h ILE 100 Cb 0.57 0.45 -0.02 0.00 -1.09 0.00 0.00 36.82 36.73 3hgy h ILE 100 CO 0.12 0.09 -0.15 -0.08 -1.08 0.00 0.00 178.15 177.05 3hgy h GLU 101 N 0.51 0.84 -0.18 2.19 4.81 -1.21 -2.53 114.58 119.00 3hgy h GLU 101 Ca 0.22 -0.31 -0.11 0.00 -0.13 0.00 0.00 59.36 59.03 3hgy h GLU 101 Cb 0.24 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3hgy h GLU 101 CO -0.06 0.94 -0.37 0.82 -0.73 0.00 0.00 179.01 179.61 3hgy h ILE 102 N 0.75 1.30 -0.00 2.32 2.04 -0.98 -2.94 117.51 120.00 3hgy h ILE 102 Ca 0.12 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.51 3hgy h ILE 102 Cb 0.66 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 3hgy h ILE 102 CO 0.05 0.45 -0.02 0.49 0.00 0.00 0.00 178.15 179.12 3hgy n PHE 103 N -4.05 0.00 -1.55 1.37 3.01 -0.98 -3.29 117.46 111.97 3hgy n PHE 103 Ca -0.01 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.26 3hgy n PHE 103 Cb 0.47 -0.19 0.12 0.00 -0.01 0.00 0.00 39.48 39.87 3hgy n PHE 103 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3hgy n ASN 104 N -1.13 4.52 -4.47 4.37 3.02 -1.05 -4.76 115.26 115.75 3hgy n ASN 104 Ca 0.17 -3.77 -0.32 0.00 -0.03 0.00 0.00 54.58 50.63 3hgy n ASN 104 Cb 0.22 -0.67 -0.13 0.00 -0.61 0.00 0.00 39.78 38.59 3hgy n ASN 104 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3hgy s GLN 105 N -3.49 2.41 0.53 3.52 -1.52 -1.21 -4.87 119.66 115.04 3hgy s GLN 105 Ca 0.53 -0.76 0.32 0.00 -1.95 0.00 0.00 55.36 53.50 3hgy s GLN 105 Cb 0.44 -2.34 1.48 0.00 -0.22 0.00 0.00 33.01 32.37 3hgy s GLN 105 CO 0.02 0.61 1.87 -1.35 -0.25 0.00 0.00 175.29 176.18 3hgy h PRO 106 N 5.16 0.03 0.04 2.91 0.11 -1.92 -1.59 132.00 136.73 3hgy h PRO 106 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hgy h PRO 106 Cb 1.15 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hgy h PRO 106 CO 0.50 0.02 -0.04 0.93 -0.21 0.00 0.00 178.00 179.20 3hgy h GLU 107 N 0.03 -0.09 -0.92 1.05 3.07 -1.94 -1.79 114.58 113.98 3hgy h GLU 107 Ca 0.46 0.01 0.18 0.00 -0.50 0.00 0.00 59.36 59.51 3hgy h GLU 107 Cb 1.82 0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 29.67 3hgy h GLU 107 CO -0.02 -0.06 0.59 0.00 -1.40 0.00 0.00 179.01 178.13 3hgy h ALA 108 N 0.87 1.95 0.02 3.43 0.00 -1.52 -2.06 119.26 121.95 3hgy h ALA 108 Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hgy h ALA 108 Cb 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hgy h ALA 108 CO -0.01 -0.24 -0.01 0.28 0.00 0.00 0.00 179.25 179.27 3hgy h VAL 109 N 0.59 1.41 -0.44 0.00 2.07 -1.49 -2.49 116.25 115.90 3hgy h VAL 109 Ca 0.49 -1.35 0.08 0.00 0.82 0.00 0.00 66.70 66.73 3hgy h VAL 109 Cb 0.95 2.31 -0.07 0.00 -1.52 0.00 0.00 31.29 32.96 3hgy h VAL 109 CO -0.23 0.34 0.05 0.00 0.02 0.00 0.00 177.57 177.76 3hgy h ALA 110 N 0.34 0.46 -0.37 1.67 0.00 -0.94 -0.40 119.26 120.02 3hgy h ALA 110 Ca -0.00 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3hgy h ALA 110 Cb 0.58 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3hgy h ALA 110 CO 0.00 -0.35 -0.12 0.74 0.00 0.00 0.00 179.25 179.53 3hgy h PHE 111 N 0.18 0.71 -0.62 0.00 0.05 -1.52 -2.72 116.94 113.02 3hgy h PHE 111 Ca 0.22 -0.12 0.10 0.00 3.82 0.00 0.00 57.97 61.99 3hgy h PHE 111 Cb 0.30 -0.19 -0.07 0.00 2.00 0.00 0.00 35.95 37.99 3hgy h PHE 111 CO -0.24 0.74 0.22 0.78 -0.18 0.00 0.00 178.31 179.63 3hgy h GLY 112 N 0.97 0.86 1.35 -1.45 0.00 -0.71 -1.06 103.07 103.03 3hgy h GLY 112 Ca 0.10 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 3hgy h GLY 112 CO 0.03 -0.03 0.13 0.50 0.00 0.00 0.00 176.54 177.17 3hgy h LYS 113 N 0.39 0.82 -0.21 4.80 1.57 -0.83 -2.02 116.57 121.11 3hgy h LYS 113 Ca 0.31 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 3hgy h LYS 113 Cb 0.40 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3hgy h LYS 113 CO -0.32 0.74 0.07 0.82 -0.57 0.00 0.00 179.45 180.19 3hgy h ILE 114 N 0.79 1.18 0.71 1.86 2.04 -1.11 -2.40 117.51 120.58 3hgy h ILE 114 Ca 0.17 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 3hgy h ILE 114 Cb 0.29 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3hgy h ILE 114 CO -0.00 0.18 -0.43 0.40 0.00 0.00 0.00 178.15 178.29 3hgy h ILE 115 N 0.17 0.13 -0.96 -0.67 2.04 -0.98 -2.91 117.51 114.32 3hgy h ILE 115 Ca 0.07 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.14 3hgy h ILE 115 Cb 0.21 0.13 -0.08 0.00 -0.74 0.00 0.00 36.82 36.34 3hgy h ILE 115 CO -0.00 0.00 0.62 1.88 0.00 0.00 0.00 178.15 180.65 3hgy h TYR 116 N -1.08 0.65 0.00 1.37 0.99 -1.44 -1.65 116.97 115.81 3hgy h TYR 116 Ca -0.09 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.66 3hgy h TYR 116 Cb 0.87 -0.20 0.00 0.00 1.00 0.00 0.00 36.73 38.40 3hgy h TYR 116 CO -0.10 0.14 0.00 -1.13 -0.00 0.00 0.00 178.16 177.07 3hgy n SER 117 N -4.57 0.48 -1.19 3.88 3.41 -0.90 -2.73 113.62 112.00 3hgy n SER 117 Ca 0.21 0.63 0.07 0.00 -0.26 0.00 0.00 58.87 59.52 3hgy n SER 117 Cb 0.72 -0.73 0.25 0.00 -0.26 0.00 0.00 64.21 64.19 3hgy n SER 117 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hgy n GLN 118 N -2.05 2.89 0.27 4.33 6.02 -0.62 -4.40 117.38 123.82 3hgy n GLN 118 Ca 0.02 -2.00 0.12 0.00 -0.01 0.00 0.00 57.00 55.14 3hgy n GLN 118 Cb 0.18 -1.69 0.76 0.00 1.02 0.00 0.00 30.24 30.51 3hgy n GLN 118 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 3hgy h VAL 119 N 2.88 0.63 -0.02 5.09 3.04 -1.66 -1.91 116.25 124.30 3hgy h VAL 119 Ca 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 3hgy h VAL 119 Cb 1.08 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 3hgy h VAL 119 CO 0.16 0.08 -0.39 -1.22 -1.01 0.00 0.00 177.57 175.20 3hgy n TYR 120 N -3.81 0.00 -1.60 3.17 4.02 -1.26 -4.99 117.16 112.69 3hgy n TYR 120 Ca -0.02 0.00 -0.65 0.00 -0.01 0.00 0.00 57.90 57.22 3hgy n TYR 120 Cb 0.18 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.40 3hgy n TYR 120 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3hgy n ASP 121 N 0.06 1.15 -0.37 7.72 2.03 -0.72 -4.87 116.55 121.56 3hgy n ASP 121 Ca 0.09 1.02 0.13 0.00 0.52 0.00 0.00 54.79 56.55 3hgy n ASP 121 Cb 0.43 -0.91 0.56 0.00 -0.72 0.00 0.00 41.12 40.49 3hgy n ASP 121 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3hgy n LYS 122 N 5.17 1.50 -0.02 -0.67 4.81 -1.26 -3.46 118.16 124.23 3hgy n LYS 122 Ca 0.38 -0.73 0.12 0.00 -0.87 0.00 0.00 58.31 57.21 3hgy n LYS 122 Cb -0.04 -1.44 0.16 0.00 0.02 0.00 0.00 35.03 33.72 3hgy n LYS 122 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3hgy n ASP 123 N -0.09 2.88 -2.08 3.14 8.00 -1.26 -4.99 116.55 122.15 3hgy n ASP 123 Ca 0.19 -1.95 -0.13 0.00 0.71 0.00 0.00 54.79 53.61 3hgy n ASP 123 Cb 0.27 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.33 3hgy n ASP 123 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hgy n ARG 124 N 1.24 -1.90 -0.24 -1.24 1.74 -1.22 -4.79 116.66 110.25 3hgy n ARG 124 Ca 0.15 0.66 0.14 0.00 -0.77 0.00 0.00 57.85 58.02 3hgy n ARG 124 Cb 0.57 -5.14 0.42 0.00 -1.02 0.00 0.00 32.46 27.30 3hgy n ARG 124 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3hgy h HIS 125 N 0.00 0.70 -0.13 -1.55 3.86 -1.94 -1.42 115.15 114.67 3hgy h HIS 125 Ca -0.29 0.02 -0.20 0.00 -1.16 0.00 0.00 60.37 58.74 3hgy h HIS 125 Cb 1.09 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 29.34 3hgy h HIS 125 CO 0.58 0.25 -0.73 1.25 0.86 0.00 0.00 177.93 180.15 3hgy h LEU 126 N 0.59 0.72 -0.05 2.43 5.85 -1.95 -1.55 115.31 121.34 3hgy h LEU 126 Ca 0.43 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3hgy h LEU 126 Cb 0.81 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 3hgy h LEU 126 CO -0.18 1.23 -0.03 0.00 -0.34 0.00 0.00 178.44 179.11 3hgy h ALA 127 N 0.76 0.07 -0.40 1.25 0.00 -1.79 -0.08 119.26 119.08 3hgy h ALA 127 Ca -0.03 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.72 3hgy h ALA 127 Cb 1.33 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 3hgy h ALA 127 CO 0.14 -0.18 -0.28 -0.91 0.00 0.00 0.00 179.25 178.03 3hgy h ASN 128 N -0.30 -0.93 -0.39 0.00 2.35 -1.32 0.21 115.58 115.20 3hgy h ASN 128 Ca 0.01 0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.95 3hgy h ASN 128 Cb 0.48 0.45 -0.02 0.00 0.05 0.00 0.00 38.32 39.28 3hgy h ASN 128 CO 0.01 -0.29 0.25 -0.25 -1.65 0.00 0.00 177.43 175.50 3hgy h TRP 129 N -0.21 0.47 -0.45 1.19 7.01 -1.13 0.53 115.95 123.37 3hgy h TRP 129 Ca 0.18 0.01 -0.07 0.00 2.11 0.00 0.00 58.89 61.12 3hgy h TRP 129 Cb 0.50 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.39 3hgy h TRP 129 CO -0.50 0.29 -0.01 0.82 -2.79 0.00 0.00 178.44 176.25 3hgy h ILE 130 N 0.51 1.26 0.00 2.65 2.04 -0.73 -2.43 117.51 120.81 3hgy h ILE 130 Ca 0.15 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.92 3hgy h ILE 130 Cb -0.03 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 3hgy h ILE 130 CO -0.05 0.36 -0.17 -0.08 0.00 0.00 0.00 178.15 178.22 3hgy h GLU 131 N 0.64 0.00 -0.39 2.37 4.81 -0.20 -2.91 114.58 118.89 3hgy h GLU 131 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3hgy h GLU 131 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3hgy h GLU 131 CO 0.02 0.17 0.00 0.09 -0.73 0.00 0.00 179.01 178.56 3hgy n ASN 132 N -3.78 3.50 -0.07 1.04 3.02 0.14 -4.49 115.26 114.64 3hgy n ASN 132 Ca -0.02 -2.00 0.01 0.00 -0.03 0.00 0.00 54.58 52.55 3hgy n ASN 132 Cb 0.27 -0.25 0.02 0.00 -0.61 0.00 0.00 39.78 39.20 3hgy n ASN 132 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hgy n ASN 133 N 1.52 1.01 -0.32 6.41 3.02 -0.94 -4.84 115.26 121.12 3hgy n ASN 133 Ca 0.20 -1.73 0.23 0.00 -0.03 0.00 0.00 54.58 53.25 3hgy n ASN 133 Cb 0.61 -0.07 0.45 0.00 -0.61 0.00 0.00 39.78 40.16 3hgy n ASN 133 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3hgy h GLN 134 N 0.00 0.15 0.00 3.52 1.08 -1.77 0.39 115.11 118.47 3hgy h GLN 134 Ca 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3hgy h GLN 134 Cb 0.86 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 3hgy h GLN 134 CO 0.00 0.10 0.00 -0.56 -0.95 0.00 0.00 178.83 177.42 3hgy h GLN 135 N 0.15 0.00 -0.06 1.46 -0.00 -1.93 -3.05 115.11 111.68 3hgy h GLN 135 Ca 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.37 3hgy h GLN 135 Cb 1.70 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.18 3hgy h GLN 135 CO -0.71 0.00 0.00 0.09 -0.00 0.00 0.00 178.83 178.21 3hgy n ASN 136 N -2.87 3.02 -4.87 0.06 3.02 0.14 -4.94 115.26 108.81 3hgy n ASN 136 Ca -0.02 -1.99 -0.33 0.00 -0.03 0.00 0.00 54.58 52.21 3hgy n ASN 136 Cb 0.10 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.20 3hgy n ASN 136 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3hgy s PHE 137 N -1.95 3.49 -0.31 3.10 0.08 -1.16 -4.78 117.98 116.46 3hgy s PHE 137 Ca 0.29 0.80 0.23 0.00 0.12 0.00 0.00 56.93 58.38 3hgy s PHE 137 Cb 0.20 -2.19 1.11 0.00 -0.57 0.00 0.00 43.02 41.58 3hgy s PHE 137 CO 0.30 0.38 1.71 0.66 -0.10 0.00 0.00 175.22 178.17 3hgy h SER 138 N 2.96 0.00 -0.49 1.36 4.64 -1.92 -1.73 113.55 118.37 3hgy h SER 138 Ca -0.47 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 3hgy h SER 138 Cb 1.18 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 3hgy h SER 138 CO 0.69 0.00 0.27 0.10 -0.87 0.00 0.00 176.83 177.02 3hgy h TYR 139 N 0.00 0.69 -0.88 4.77 -0.00 -1.93 -2.58 116.97 117.03 3hgy h TYR 139 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 58.73 58.77 3hgy h TYR 139 Cb 0.20 -0.22 -0.05 0.00 0.00 0.00 0.00 36.73 36.65 3hgy h TYR 139 CO 0.00 0.49 0.58 -0.91 -0.00 0.00 0.00 178.16 178.32 3hgy h ASN 140 N 0.71 0.93 -0.28 0.10 2.35 -1.64 -1.83 115.58 115.93 3hgy h ASN 140 Ca 0.18 -0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.99 3hgy h ASN 140 Cb 0.03 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.14 3hgy h ASN 140 CO -0.03 0.62 -0.11 0.40 -1.65 0.00 0.00 177.43 176.66 3hgy h ILE 141 N 1.07 0.63 0.23 2.81 2.04 -1.66 0.30 117.51 122.93 3hgy h ILE 141 Ca 0.36 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.21 3hgy h ILE 141 Cb 0.09 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3hgy h ILE 141 CO -0.12 0.00 -0.11 -0.07 0.00 0.00 0.00 178.15 177.85 3hgy h LEU 142 N -0.07 -0.27 -1.52 1.44 3.38 -1.52 -1.92 115.31 114.84 3hgy h LEU 142 Ca 0.14 -0.08 0.44 0.00 0.09 0.00 0.00 57.88 58.47 3hgy h LEU 142 Cb 0.28 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 40.98 3hgy h LEU 142 CO -0.32 -0.09 0.92 -0.03 0.09 0.00 0.00 178.44 179.00 3hgy h MET 143 N -0.43 0.08 -0.38 1.13 4.05 -1.13 -0.27 114.93 117.98 3hgy h MET 143 Ca -0.03 -0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.27 3hgy h MET 143 Cb 0.33 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 3hgy h MET 143 CO 0.05 0.06 -0.19 0.78 0.23 0.00 0.00 176.91 177.83 3hgy h GLY 144 N 0.09 0.87 1.70 1.39 0.00 -0.13 -3.19 103.07 103.79 3hgy h GLY 144 Ca 0.81 -0.79 -0.16 0.00 0.00 0.00 0.00 47.33 47.19 3hgy h GLY 144 CO -0.33 0.72 -0.63 0.74 0.00 0.00 0.00 176.54 177.03 3hgy h PHE 145 N 0.60 0.40 -0.12 5.60 -1.00 -0.81 -3.30 116.94 118.31 3hgy h PHE 145 Ca 0.08 -0.16 -0.00 0.00 2.81 0.00 0.00 57.97 60.70 3hgy h PHE 145 Cb 0.75 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 40.23 3hgy h PHE 145 CO 0.06 0.85 0.06 0.74 -1.61 0.00 0.00 178.31 178.41 3hgy h PHE 146 N 0.22 0.17 -0.98 -0.55 0.04 -1.42 -2.83 116.94 111.59 3hgy h PHE 146 Ca -0.01 -0.01 0.15 0.00 2.80 0.00 0.00 57.97 60.90 3hgy h PHE 146 Cb 1.16 -0.05 -0.09 0.00 2.20 0.00 0.00 35.95 39.17 3hgy h PHE 146 CO 0.03 0.21 0.60 0.87 -0.60 0.00 0.00 178.31 179.41 3hgy h LYS 147 N 0.08 0.85 -0.10 1.51 1.57 -1.63 -2.65 116.57 116.19 3hgy h LYS 147 Ca 0.04 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 3hgy h LYS 147 Cb 0.10 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 3hgy h LYS 147 CO -0.01 0.56 -0.50 1.96 -0.57 0.00 0.00 179.45 180.89 3hgy h GLN 148 N 0.87 0.27 -6.51 3.15 4.20 -1.59 -3.44 115.11 112.06 3hgy h GLN 148 Ca 0.52 -0.15 -0.60 0.00 0.06 0.00 0.00 58.65 58.47 3hgy h GLN 148 Cb 0.64 0.01 0.08 0.00 0.30 0.00 0.00 27.48 28.51 3hgy h GLN 148 CO -0.31 0.71 0.52 1.04 -0.67 0.00 0.00 178.83 180.11 3hgy n GLN 149 N -3.95 1.79 -2.23 1.46 1.13 -1.00 -4.84 117.38 109.74 3hgy n GLN 149 Ca -0.02 0.64 -0.32 0.00 -1.94 0.00 0.00 57.00 55.35 3hgy n GLN 149 Cb 0.55 -2.25 -0.04 0.00 0.11 0.00 0.00 30.24 28.61 3hgy n GLN 149 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3hgy s ASN 150 N 0.21 5.60 -0.28 1.08 2.47 -1.26 -4.75 114.94 118.01 3hgy s ASN 150 Ca 0.70 -1.56 -0.20 0.00 0.42 0.00 0.00 52.86 52.22 3hgy s ASN 150 Cb -0.71 -2.58 0.08 0.00 -1.45 0.00 0.00 41.25 36.59 3hgy s ASN 150 CO 0.50 -2.43 0.72 0.21 -3.72 0.00 0.00 177.10 172.38 3hgy s ASN 151 N 6.23 -0.84 0.09 -4.21 2.47 -1.26 -5.07 114.94 112.34 3hgy s ASN 151 Ca 0.63 1.46 -0.25 0.00 0.42 0.00 0.00 52.86 55.12 3hgy s ASN 151 Cb -0.01 1.41 -0.15 0.00 -1.45 0.00 0.00 41.25 41.04 3hgy s ASN 151 CO 0.06 -0.24 1.71 -1.28 -3.72 0.00 0.00 177.10 173.63 3hgy h SER 152 N 6.08 -0.18 0.16 -4.21 0.87 -1.99 -2.77 113.55 111.52 3hgy h SER 152 Ca -0.29 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 3hgy h SER 152 Cb 1.20 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 3hgy h SER 152 CO 0.11 -0.12 -0.08 0.22 -0.53 0.00 0.00 176.83 176.44 3hgy h TYR 153 N -0.20 -0.20 -0.87 2.24 3.20 -1.98 -0.94 116.97 118.23 3hgy h TYR 153 Ca -0.02 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.88 3hgy h TYR 153 Cb 0.16 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.45 3hgy h TYR 153 CO -0.08 0.16 0.57 0.52 -1.64 0.00 0.00 178.16 177.70 3hgy h MET 154 N -0.60 1.07 -0.07 1.82 2.86 -1.89 0.84 114.93 118.97 3hgy h MET 154 Ca -0.02 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 3hgy h MET 154 Cb 0.45 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 3hgy h MET 154 CO 0.04 0.71 -0.10 -0.22 1.06 0.00 0.00 176.91 178.39 3hgy h LYS 155 N 1.10 0.19 -0.65 1.72 3.64 -1.49 -2.55 116.57 118.52 3hgy h LYS 155 Ca 0.34 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 3hgy h LYS 155 Cb -0.00 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 3hgy h LYS 155 CO -0.10 0.68 0.26 0.87 -2.27 0.00 0.00 179.45 178.89 3hgy h LYS 156 N -0.28 0.95 -0.46 1.90 1.79 -0.73 -3.20 116.57 116.54 3hgy h LYS 156 Ca 0.01 -0.15 -0.14 0.00 -2.18 0.00 0.00 60.65 58.18 3hgy h LYS 156 Cb 0.66 -0.16 -0.08 0.00 -1.58 0.00 0.00 32.23 31.07 3hgy h LYS 156 CO 0.02 0.78 0.08 0.09 -1.08 0.00 0.00 179.45 179.35 3hgy n ASN 157 N -4.31 3.76 -0.17 0.86 5.03 0.25 -4.79 115.26 115.89 3hgy n ASN 157 Ca 0.06 -3.32 -0.05 0.00 0.87 0.00 0.00 54.58 52.14 3hgy n ASN 157 Cb 0.17 -0.64 0.05 0.00 -1.02 0.00 0.00 39.78 38.34 3hgy n ASN 157 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hgy h ALA 158 N 1.79 0.65 -0.70 5.41 0.00 -1.45 -0.46 119.26 124.50 3hgy h ALA 158 Ca 0.17 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3hgy h ALA 158 Cb 1.83 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 3hgy h ALA 158 CO 0.46 -0.06 0.22 1.49 0.00 0.00 0.00 179.25 181.35 3hgy h GLU 159 N 0.53 1.08 -0.30 0.00 4.81 -1.87 -1.87 114.58 116.96 3hgy h GLU 159 Ca 0.22 -0.22 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 3hgy h GLU 159 Cb 0.10 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3hgy h GLU 159 CO -0.14 0.92 -0.15 -0.22 -0.73 0.00 0.00 179.01 178.69 3hgy h LYS 160 N 1.04 0.64 -0.58 1.92 3.64 -1.71 -2.10 116.57 119.42 3hgy h LYS 160 Ca 0.23 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 3hgy h LYS 160 Cb 0.29 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 3hgy h LYS 160 CO -0.01 0.87 0.16 -0.07 -2.27 0.00 0.00 179.45 178.13 3hgy h LEU 161 N 0.39 0.82 0.13 5.20 3.38 -1.05 0.58 115.31 124.77 3hgy h LEU 161 Ca 0.07 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3hgy h LEU 161 Cb 0.68 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3hgy h LEU 161 CO 0.05 0.79 -0.13 0.00 0.09 0.00 0.00 178.44 179.23 3hgy h ALA 162 N 1.32 -0.26 -0.26 1.53 0.00 -1.33 0.17 119.26 120.44 3hgy h ALA 162 Ca 0.19 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3hgy h ALA 162 Cb 0.27 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3hgy h ALA 162 CO -0.01 -0.67 -0.22 0.28 0.00 0.00 0.00 179.25 178.64 3hgy h VAL 163 N -0.29 1.26 0.17 0.00 2.07 -0.86 -2.16 116.25 116.43 3hgy h VAL 163 Ca 0.00 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 3hgy h VAL 163 Cb 0.28 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3hgy h VAL 163 CO -0.04 0.38 -0.08 0.25 0.02 0.00 0.00 177.57 178.10 3hgy h LEU 164 N 0.42 -0.20 -0.40 2.57 5.85 -0.67 -2.15 115.31 120.74 3hgy h LEU 164 Ca 0.07 -0.33 0.07 0.00 0.84 0.00 0.00 57.88 58.53 3hgy h LEU 164 Cb 0.62 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 3hgy h LEU 164 CO 0.04 0.28 0.03 0.15 -0.34 0.00 0.00 178.44 178.61 3hgy h PHE 165 N -0.75 0.04 -0.68 1.25 3.57 -0.83 -1.58 116.94 117.97 3hgy h PHE 165 Ca -0.02 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.60 3hgy h PHE 165 Cb 0.51 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.23 3hgy h PHE 165 CO 0.07 -0.04 0.32 0.00 -2.23 0.00 0.00 178.31 176.42 3hgy h THR 167 N 0.55 1.21 -0.70 0.00 2.02 -0.77 0.31 112.91 115.53 3hgy h THR 167 Ca 0.33 -0.64 0.06 0.00 0.77 0.00 0.00 66.41 66.93 3hgy h THR 167 Cb 0.36 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 3hgy h THR 167 CO -0.27 0.24 0.46 0.24 0.37 0.00 0.00 175.52 176.55 3hgy h MET 168 N 0.59 0.71 -0.09 6.66 2.07 -1.18 0.24 114.93 123.92 3hgy h MET 168 Ca 0.15 -0.04 -0.22 0.00 -2.07 0.00 0.00 59.70 57.52 3hgy h MET 168 Cb 0.20 -0.16 0.01 0.00 -1.87 0.00 0.00 31.60 29.78 3hgy h MET 168 CO -0.01 0.47 -0.78 -0.07 1.07 0.00 0.00 176.91 177.58 3hgy h LEU 169 N 0.73 0.85 0.00 1.22 3.38 -0.87 -3.40 115.31 117.21 3hgy h LEU 169 Ca 0.30 -0.67 -0.36 0.00 0.09 0.00 0.00 57.88 57.24 3hgy h LEU 169 Cb 0.25 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 3hgy h LEU 169 CO -0.10 1.39 -2.32 1.17 0.09 0.00 0.00 178.44 178.68 3hgy n LYS 170 N -3.99 0.68 -4.09 1.13 4.81 0.05 -4.95 118.16 111.80 3hgy n LYS 170 Ca -0.09 0.02 -0.30 0.00 -0.87 0.00 0.00 58.31 57.08 3hgy n LYS 170 Cb 0.75 -1.55 -0.07 0.00 0.02 0.00 0.00 35.03 34.18 3hgy n LYS 170 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3hgy s GLU 171 N -2.50 2.73 -0.07 1.64 0.41 0.81 -2.62 118.70 119.10 3hgy s GLU 171 Ca -0.09 -0.78 0.15 0.00 -0.41 0.00 0.00 54.97 53.83 3hgy s GLU 171 Cb 0.06 -2.63 0.56 0.00 -1.78 0.00 0.00 34.13 30.34 3hgy s GLU 171 CO 0.83 0.54 1.44 -0.35 -0.49 0.00 0.00 175.26 177.23 3hgy n PRO 172 N 0.40 2.99 -0.11 0.39 -0.04 -1.26 -4.64 135.00 132.72 3hgy n PRO 172 Ca -0.09 -2.22 -0.09 0.00 -0.04 0.00 0.00 63.50 61.06 3hgy n PRO 172 Cb 0.52 -1.70 -0.01 0.00 -0.04 0.00 0.00 33.50 32.27 3hgy n PRO 172 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3hgy h TYR 173 N 3.27 0.47 -0.01 0.54 -1.99 -1.92 -1.86 116.97 115.48 3hgy h TYR 173 Ca 0.00 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 3hgy h TYR 173 Cb 1.11 -0.15 -0.00 0.00 2.00 0.00 0.00 36.73 39.69 3hgy h TYR 173 CO 0.56 0.39 -0.00 1.25 -0.00 0.00 0.00 178.16 180.37 3hgy h HIS 174 N 0.42 0.02 -0.60 4.88 2.76 -1.86 0.46 115.15 121.22 3hgy h HIS 174 Ca 0.12 -0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.40 3hgy h HIS 174 Cb 0.08 -0.00 -0.12 0.00 1.55 0.00 0.00 27.41 28.92 3hgy h HIS 174 CO -0.02 0.32 -0.23 1.25 -1.30 0.00 0.00 177.93 177.95 3hgy h HIS 175 N -0.29 -0.57 -0.21 5.26 6.17 -1.82 0.11 115.15 123.79 3hgy h HIS 175 Ca 0.00 0.06 -0.14 0.00 0.71 0.00 0.00 60.37 61.01 3hgy h HIS 175 Cb 0.31 0.34 -0.01 0.00 2.52 0.00 0.00 27.41 30.58 3hgy h HIS 175 CO 0.03 -0.32 -0.44 -0.07 0.71 0.00 0.00 177.93 177.84 3hgy h LEU 176 N -0.08 0.56 -0.81 0.26 3.38 -1.09 -1.34 115.31 116.19 3hgy h LEU 176 Ca 0.27 -0.26 0.12 0.00 0.09 0.00 0.00 57.88 58.10 3hgy h LEU 176 Cb 0.51 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 3hgy h LEU 176 CO -0.66 0.93 0.43 0.78 0.09 0.00 0.00 178.44 180.01 3hgy h ASN 177 N 0.43 0.56 0.02 -0.43 2.35 0.13 -2.55 115.58 116.08 3hgy h ASN 177 Ca 0.03 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3hgy h ASN 177 Cb 0.94 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.28 3hgy h ASN 177 CO 0.08 0.28 -0.01 0.58 -1.65 0.00 0.00 177.43 176.72 3hgy h VAL 178 N 0.67 1.45 -0.15 2.81 2.07 -0.33 -2.66 116.25 120.11 3hgy h VAL 178 Ca 0.42 -1.92 -0.03 0.00 0.82 0.00 0.00 66.70 65.99 3hgy h VAL 178 Cb 0.50 2.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.93 3hgy h VAL 178 CO -0.31 0.46 -0.03 -0.07 0.02 0.00 0.00 177.57 177.65 3hgy h LEU 179 N -0.92 0.29 -2.55 2.57 3.38 -1.33 -3.38 115.31 113.38 3hgy h LEU 179 Ca -0.00 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3hgy h LEU 179 Cb 0.77 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3hgy h LEU 179 CO 0.00 0.58 0.00 2.30 0.09 0.00 0.00 178.44 181.41 3hgy n ILE 180 N -4.70 0.78 -1.61 1.22 -5.35 -0.98 -5.00 119.36 103.72 3hgy n ILE 180 Ca -0.05 -0.84 -0.12 0.00 -0.27 0.00 0.00 62.75 61.47 3hgy n ILE 180 Cb 0.25 0.62 -0.04 0.00 -1.74 0.00 0.00 39.64 38.74 3hgy n ILE 180 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3hgy n ASN 181 N -0.39 -4.20 -4.42 7.28 3.02 -1.00 -4.98 115.26 110.56 3hgy n ASN 181 Ca 0.00 0.20 -0.38 0.00 -0.03 0.00 0.00 54.58 54.37 3hgy n ASN 181 Cb 0.25 -2.94 0.03 0.00 -0.61 0.00 0.00 39.78 36.51 3hgy n ASN 181 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hgy n ALA 182 N 0.37 -1.57 -1.72 5.41 0.00 -1.12 -4.94 120.51 116.95 3hgy n ALA 182 Ca -0.12 -0.03 -0.35 0.00 0.00 0.00 0.00 53.44 52.93 3hgy n ALA 182 Cb 0.45 -1.74 0.03 0.00 0.00 0.00 0.00 19.45 18.19 3hgy n ALA 182 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3hgy s PRO 183 N -1.87 2.99 0.80 0.00 0.02 -1.26 -4.49 135.00 131.18 3hgy s PRO 183 Ca 0.66 1.75 -0.11 0.00 0.02 0.00 0.00 61.00 63.32 3hgy s PRO 183 Cb -0.45 -1.94 0.07 0.00 0.02 0.00 0.00 34.50 32.20 3hgy s PRO 183 CO 0.57 -1.17 1.09 -0.51 -0.33 0.00 0.00 177.00 176.65 3hgy s LEU 184 N -4.12 2.62 0.08 -5.54 1.43 -1.26 -4.91 118.68 106.97 3hgy s LEU 184 Ca 0.76 1.34 -0.28 0.00 -1.03 0.00 0.00 54.13 54.91 3hgy s LEU 184 Cb -0.28 -3.96 -0.05 0.00 0.03 0.00 0.00 46.19 41.92 3hgy s LEU 184 CO 0.33 -1.97 0.90 -0.54 0.23 0.00 0.00 176.35 175.30 3hgy s LYS 185 N -5.14 4.62 0.93 1.70 1.02 -1.26 -5.08 119.74 116.53 3hgy s LYS 185 Ca 0.61 1.32 -0.12 0.00 0.02 0.00 0.00 55.97 57.79 3hgy s LYS 185 Cb -0.15 -3.38 0.15 0.00 -0.52 0.00 0.00 37.83 33.94 3hgy s LYS 185 CO 0.54 0.21 1.10 0.54 -0.92 0.00 0.00 175.35 176.82 3hgy s ASN 186 N 0.08 3.20 0.47 2.83 2.20 -1.26 -4.77 114.94 117.68 3hgy s ASN 186 Ca 0.44 1.26 0.16 0.00 -0.94 0.00 0.00 52.86 53.79 3hgy s ASN 186 Cb -0.22 -1.93 1.14 0.00 -2.00 0.00 0.00 41.25 38.24 3hgy s ASN 186 CO 0.27 -2.78 2.02 0.11 -2.94 0.00 0.00 177.10 173.78 3hgy h LYS 187 N -1.65 0.25 -0.37 3.55 1.57 -1.99 -1.12 116.57 116.81 3hgy h LYS 187 Ca -0.52 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.13 3hgy h LYS 187 Cb 1.31 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 3hgy h LYS 187 CO 0.57 0.16 -0.21 -0.22 -0.57 0.00 0.00 179.45 179.18 3hgy h LYS 188 N 0.25 0.80 -0.68 3.15 1.63 -1.99 -1.60 116.57 118.14 3hgy h LYS 188 Ca 0.22 -0.37 -0.08 0.00 -0.85 0.00 0.00 60.65 59.57 3hgy h LYS 188 Cb 0.52 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 3hgy h LYS 188 CO -0.04 0.99 0.13 0.93 -3.45 0.00 0.00 179.45 178.01 3hgy h GLU 189 N 0.60 1.12 0.23 1.90 5.08 -1.68 0.63 114.58 122.45 3hgy h GLU 189 Ca 0.08 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3hgy h GLU 189 Cb 0.77 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 3hgy h GLU 189 CO 0.06 1.01 -0.35 1.96 -1.00 0.00 0.00 179.01 180.69 3hgy h GLN 190 N 1.04 -0.63 0.27 2.33 4.20 -1.07 -0.72 115.11 120.53 3hgy h GLN 190 Ca 0.21 0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 3hgy h GLN 190 Cb 0.42 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 3hgy h GLN 190 CO 0.01 -0.42 -0.24 -0.22 -0.67 0.00 0.00 178.83 177.30 3hgy h LYS 191 N -0.65 -0.50 -0.51 1.46 1.63 -1.20 -1.13 116.57 115.67 3hgy h LYS 191 Ca 0.00 0.03 0.10 0.00 -0.85 0.00 0.00 60.65 59.94 3hgy h LYS 191 Cb 0.64 0.11 -0.10 0.00 -0.60 0.00 0.00 32.23 32.28 3hgy h LYS 191 CO -0.14 -0.34 -0.24 0.93 -3.45 0.00 0.00 179.45 176.21 3hgy h GLU 192 N -0.52 -0.12 -0.23 1.90 5.08 -0.80 -1.69 114.58 118.20 3hgy h GLU 192 Ca -0.01 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 3hgy h GLU 192 Cb 0.47 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3hgy h GLU 192 CO -0.03 -0.08 -0.22 1.25 -1.00 0.00 0.00 179.01 178.93 3hgy h HIS 193 N -0.12 0.45 0.16 4.33 2.76 -0.95 -1.77 115.15 120.01 3hgy h HIS 193 Ca 0.23 -0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 3hgy h HIS 193 Cb 0.49 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.34 3hgy h HIS 193 CO -0.52 0.60 -0.08 0.28 -1.30 0.00 0.00 177.93 176.91 3hgy h VAL 194 N 0.37 0.90 -0.74 5.26 2.07 -0.35 -2.26 116.25 121.50 3hgy h VAL 194 Ca 0.06 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 3hgy h VAL 194 Cb 0.59 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 3hgy h VAL 194 CO 0.04 0.06 0.44 -0.33 0.02 0.00 0.00 177.57 177.81 3hgy h GLU 195 N -0.35 1.01 0.64 1.57 5.08 -1.22 -0.10 114.58 121.21 3hgy h GLU 195 Ca -0.02 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3hgy h GLU 195 Cb 0.27 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3hgy h GLU 195 CO 0.04 0.71 -0.50 0.35 -1.00 0.00 0.00 179.01 178.60 3hgy h PHE 196 N 1.02 -1.36 -0.46 4.33 3.04 -1.32 -0.82 116.94 121.37 3hgy h PHE 196 Ca 0.27 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.25 3hgy h PHE 196 Cb -0.04 0.51 -0.04 0.00 2.56 0.00 0.00 35.95 38.95 3hgy h PHE 196 CO 0.00 -0.71 0.23 0.28 -2.02 0.00 0.00 178.31 176.10 3hgy h VAL 197 N -1.11 0.96 -0.66 1.41 2.07 -1.13 -2.11 116.25 115.69 3hgy h VAL 197 Ca -0.08 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.29 3hgy h VAL 197 Cb 0.92 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3hgy h VAL 197 CO 0.02 0.08 0.43 0.58 0.02 0.00 0.00 177.57 178.70 3hgy h VAL 198 N 0.45 1.15 0.09 2.57 2.07 -0.93 -0.40 116.25 121.25 3hgy h VAL 198 Ca 0.20 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 3hgy h VAL 198 Cb 0.11 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3hgy h VAL 198 CO -0.14 0.16 -0.04 -1.13 0.02 0.00 0.00 177.57 176.44 3hgy h ASN 199 N 0.87 -0.10 -0.67 0.57 -1.24 -0.47 -2.10 115.58 112.44 3hgy h ASN 199 Ca 0.24 -0.26 0.03 0.00 0.71 0.00 0.00 56.30 57.02 3hgy h ASN 199 Cb -0.07 0.03 -0.04 0.00 0.73 0.00 0.00 38.32 38.97 3hgy h ASN 199 CO -0.06 0.22 0.44 0.58 -1.29 0.00 0.00 177.43 177.32 3hgy h VAL 200 N -0.42 1.11 -0.25 2.57 2.07 -1.40 0.29 116.25 120.23 3hgy h VAL 200 Ca -0.01 -0.28 -0.14 0.00 0.82 0.00 0.00 66.70 67.08 3hgy h VAL 200 Cb 0.36 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3hgy h VAL 200 CO 0.02 0.15 -0.41 0.15 0.02 0.00 0.00 177.57 177.50 3hgy h PHE 201 N 0.83 0.89 0.16 1.57 3.57 -1.00 -1.76 116.94 121.19 3hgy h PHE 201 Ca 0.26 -0.31 -0.29 0.00 3.53 0.00 0.00 57.97 61.16 3hgy h PHE 201 Cb 0.02 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 38.60 3hgy h PHE 201 CO -0.00 1.08 -1.42 -0.07 -2.23 0.00 0.00 178.31 175.67 3hgy h LEU 202 N 0.45 0.52 0.00 0.59 3.38 -1.23 -3.43 115.31 115.58 3hgy h LEU 202 Ca 0.02 -0.90 -0.00 0.00 0.09 0.00 0.00 57.88 57.09 3hgy h LEU 202 Cb 1.00 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 3hgy h LEU 202 CO 0.09 1.64 -1.11 0.59 0.09 0.00 0.00 178.44 179.74 3hgy n ASN 203 N -3.84 4.47 -0.47 -0.43 3.02 0.10 -5.11 115.26 113.00 3hgy n ASN 203 Ca -0.22 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.39 3hgy n ASN 203 Cb 0.96 1.06 -0.02 0.00 -0.61 0.00 0.00 39.78 41.17 3hgy n ASN 203 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hgy n GLY 204 N 2.41 -1.93 0.13 7.41 0.00 -0.66 -4.43 105.19 108.11 3hgy n GLY 204 Ca -0.01 -1.39 0.02 0.00 0.00 0.00 0.00 46.02 44.65 3hgy n GLY 204 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3hgy n ILE 205 N -2.73 0.09 0.00 -0.61 -5.35 -1.26 -2.95 119.36 106.55 3hgy n ILE 205 Ca -0.01 -0.09 0.08 0.00 -0.27 0.00 0.00 62.75 62.46 3hgy n ILE 205 Cb 0.22 0.02 0.27 0.00 -1.74 0.00 0.00 39.64 38.40 3hgy n ILE 205 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3hgy n ASN 206 N -0.33 3.54 -0.35 7.28 3.02 -1.26 -5.20 115.26 121.95 3hgy n ASN 206 Ca 0.04 -2.25 0.15 0.00 -0.03 0.00 0.00 54.58 52.49 3hgy n ASN 206 Cb 0.07 -0.47 0.64 0.00 -0.61 0.00 0.00 39.78 39.41 3hgy n ASN 206 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10