#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hen s LEU 2 N 0.00 3.69 0.95 0.99 1.02 -1.26 -5.08 118.68 118.98 3hen s LEU 2 Ca 0.00 1.38 -0.12 0.00 0.02 0.00 0.00 54.13 55.41 3hen s LEU 2 Cb 0.00 -4.30 0.16 0.00 0.02 0.00 0.00 46.19 42.06 3hen s LEU 2 CO 0.00 -0.53 1.09 -0.94 0.02 0.00 0.00 176.35 176.00 3hen s SER 3 N -3.17 3.07 0.25 2.29 1.04 -1.26 -4.85 113.70 111.07 3hen s SER 3 Ca 0.56 1.33 -0.06 0.00 0.48 0.00 0.00 55.95 58.25 3hen s SER 3 Cb -0.10 -2.00 0.27 0.00 0.10 0.00 0.00 66.02 64.29 3hen s SER 3 CO 0.32 -2.87 1.92 0.44 0.98 0.00 0.00 173.24 174.04 3hen h ASP 4 N -1.71 1.14 0.51 7.02 3.32 -1.99 -0.89 116.42 123.82 3hen h ASP 4 Ca -0.52 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 56.35 3hen h ASP 4 Cb 1.31 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 3hen h ASP 4 CO 0.56 0.84 -0.64 1.23 -1.72 0.00 0.00 179.24 179.51 3hen h GLY 5 N 1.34 0.14 0.76 2.75 0.00 -1.99 -0.58 103.07 105.49 3hen h GLY 5 Ca 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 3hen h GLY 5 CO -0.08 0.17 0.01 0.83 0.00 0.00 0.00 176.54 177.47 3hen h GLU 6 N 0.09 0.13 -0.93 4.80 5.08 -1.85 -2.13 114.58 119.78 3hen h GLU 6 Ca -0.01 -0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.40 3hen h GLU 6 Cb 1.15 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.32 3hen h GLU 6 CO 0.09 0.37 0.60 -1.49 -1.00 0.00 0.00 179.01 177.59 3hen h TRP 7 N -0.12 1.04 -0.21 4.33 4.06 -0.99 -2.19 115.95 121.86 3hen h TRP 7 Ca 0.02 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.00 3hen h TRP 7 Cb 0.31 -0.34 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 3hen h TRP 7 CO 0.02 0.49 0.14 0.37 -3.56 0.00 0.00 178.44 175.90 3hen h GLN 8 N 0.97 0.27 -0.82 0.49 5.75 -0.87 0.89 115.11 121.80 3hen h GLN 8 Ca 0.43 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.94 3hen h GLN 8 Cb 0.35 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.79 3hen h GLN 8 CO -0.18 0.19 0.53 1.96 -2.65 0.00 0.00 178.83 178.67 3hen h GLN 9 N 0.28 1.01 -0.09 1.69 4.20 -1.18 0.10 115.11 121.11 3hen h GLN 9 Ca 0.08 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3hen h GLN 9 Cb -0.02 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.53 3hen h GLN 9 CO -0.02 0.67 0.06 0.28 -0.67 0.00 0.00 178.83 179.15 3hen h VAL 10 N 1.04 1.04 -0.02 -0.54 2.07 -1.03 -2.22 116.25 116.59 3hen h VAL 10 Ca 0.32 -0.11 -0.16 0.00 0.82 0.00 0.00 66.70 67.57 3hen h VAL 10 Cb -0.02 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3hen h VAL 10 CO -0.10 0.04 -0.72 -0.07 0.02 0.00 0.00 177.57 176.74 3hen h LEU 11 N 0.10 0.18 0.63 2.57 3.38 -0.55 -1.24 115.31 120.38 3hen h LEU 11 Ca 0.03 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3hen h LEU 11 Cb 0.02 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.72 3hen h LEU 11 CO -0.01 0.84 -0.30 -1.13 0.09 0.00 0.00 178.44 177.93 3hen h ASN 12 N 0.10 -0.72 -0.31 -0.43 -1.24 -0.80 -1.14 115.58 111.04 3hen h ASN 12 Ca -0.02 0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.00 3hen h ASN 12 Cb 1.27 0.19 -0.02 0.00 0.73 0.00 0.00 38.32 40.49 3hen h ASN 12 CO 0.11 -0.51 0.15 1.62 -1.29 0.00 0.00 177.43 177.50 3hen h VAL 13 N -0.85 1.14 -0.68 2.57 3.04 -1.37 -2.56 116.25 117.53 3hen h VAL 13 Ca -0.09 -0.44 0.03 0.00 -1.01 0.00 0.00 66.70 65.20 3hen h VAL 13 Cb 0.65 0.71 -0.04 0.00 -2.01 0.00 0.00 31.29 30.60 3hen h VAL 13 CO 0.14 0.17 0.45 -0.25 -1.01 0.00 0.00 177.57 177.07 3hen h TRP 14 N 0.51 0.79 -1.01 3.17 2.91 -0.82 -2.23 115.95 119.27 3hen h TRP 14 Ca 0.13 0.02 0.25 0.00 1.13 0.00 0.00 58.89 60.41 3hen h TRP 14 Cb 0.10 -0.27 -0.09 0.00 -0.51 0.00 0.00 29.16 28.40 3hen h TRP 14 CO 0.00 0.47 0.65 0.78 -1.03 0.00 0.00 178.44 179.31 3hen h GLY 15 N 0.83 1.26 2.00 2.65 0.00 -0.78 0.22 103.07 109.24 3hen h GLY 15 Ca 0.27 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 3hen h GLY 15 CO -0.07 -0.11 -0.35 0.50 0.00 0.00 0.00 176.54 176.51 3hen h LYS 16 N 0.45 0.00 -0.52 4.80 1.79 -1.51 -2.73 116.57 118.85 3hen h LYS 16 Ca 0.58 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.97 3hen h LYS 16 Cb 1.37 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.00 3hen h LYS 16 CO -0.30 0.35 0.02 0.28 -1.08 0.00 0.00 179.45 178.72 3hen h VAL 17 N 0.00 1.25 -0.22 0.50 2.07 -0.95 -3.32 116.25 115.58 3hen h VAL 17 Ca -0.00 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 3hen h VAL 17 Cb 0.67 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3hen h VAL 17 CO 0.05 0.36 -0.07 -0.33 0.02 0.00 0.00 177.57 177.60 3hen h GLU 18 N 0.81 0.34 0.00 1.57 4.39 -1.30 -1.95 114.58 118.43 3hen h GLU 18 Ca 0.16 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.79 3hen h GLU 18 Cb 0.46 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 3hen h GLU 18 CO 0.02 0.42 0.00 0.00 -1.16 0.00 0.00 179.01 178.29 3hen n ALA 19 N -2.49 1.27 -2.74 3.43 0.00 -1.25 -4.11 120.51 114.63 3hen n ALA 19 Ca 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 53.44 53.41 3hen n ALA 19 Cb 0.25 -1.17 0.04 0.00 0.00 0.00 0.00 19.45 18.56 3hen n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hen n ASP 20 N -1.74 -2.81 -0.04 0.00 2.03 -0.76 -5.04 116.55 108.19 3hen n ASP 20 Ca 0.01 -2.91 -0.11 0.00 0.52 0.00 0.00 54.79 52.29 3hen n ASP 20 Cb 0.08 1.64 -0.05 0.00 -0.72 0.00 0.00 41.12 42.07 3hen n ASP 20 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3hen h ILE 21 N 3.34 1.16 -0.81 5.18 1.08 -1.65 -2.13 117.51 123.69 3hen h ILE 21 Ca -0.09 -0.48 0.04 0.00 -0.39 0.00 0.00 64.86 63.93 3hen h ILE 21 Cb 1.08 1.20 -0.05 0.00 -3.07 0.00 0.00 36.82 35.98 3hen h ILE 21 CO 0.16 0.15 0.51 0.00 -0.69 0.00 0.00 178.15 178.28 3hen h ALA 22 N 0.89 1.07 -0.34 1.87 0.00 -1.90 -0.18 119.26 120.68 3hen h ALA 22 Ca 0.05 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3hen h ALA 22 Cb 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3hen h ALA 22 CO -0.00 0.30 0.00 0.78 0.00 0.00 0.00 179.25 180.33 3hen h GLY 23 N 0.98 0.64 0.88 0.00 0.00 -1.91 -1.47 103.07 102.18 3hen h GLY 23 Ca 0.33 -0.47 0.03 0.00 0.00 0.00 0.00 47.33 47.22 3hen h GLY 23 CO -0.13 0.44 0.54 0.45 0.00 0.00 0.00 176.54 177.83 3hen h HIS 24 N 0.40 1.01 -0.80 5.60 -0.00 -1.20 -2.71 115.15 117.45 3hen h HIS 24 Ca 0.10 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 3hen h HIS 24 Cb 0.45 -0.33 -0.04 0.00 -0.00 0.00 0.00 27.41 27.49 3hen h HIS 24 CO 0.04 0.58 0.45 0.78 -0.00 0.00 0.00 177.93 179.77 3hen h GLY 25 N 1.05 1.19 0.74 2.45 0.00 -0.67 -0.59 103.07 107.24 3hen h GLY 25 Ca 0.33 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 3hen h GLY 25 CO -0.11 0.51 -0.08 1.46 0.00 0.00 0.00 176.54 178.31 3hen h GLN 26 N 1.11 0.31 -0.63 4.80 4.20 -1.25 -2.40 115.11 121.26 3hen h GLN 26 Ca 0.28 -0.14 0.05 0.00 0.06 0.00 0.00 58.65 58.90 3hen h GLN 26 Cb 0.02 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 3hen h GLN 26 CO -0.05 0.65 0.36 0.93 -0.67 0.00 0.00 178.83 180.05 3hen h GLU 27 N -0.03 0.65 -0.12 1.46 5.08 -1.27 -1.62 114.58 118.73 3hen h GLU 27 Ca 0.03 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3hen h GLU 27 Cb 0.57 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3hen h GLU 27 CO 0.02 0.43 -0.03 0.28 -1.00 0.00 0.00 179.01 178.72 3hen h VAL 28 N 0.67 0.88 -0.52 3.13 2.07 -1.08 -1.56 116.25 119.84 3hen h VAL 28 Ca 0.27 -0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.74 3hen h VAL 28 Cb 0.14 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3hen h VAL 28 CO -0.16 0.00 0.13 -0.07 0.02 0.00 0.00 177.57 177.49 3hen h LEU 29 N 0.00 0.79 -0.70 2.57 3.38 -1.25 -1.11 115.31 119.00 3hen h LEU 29 Ca 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3hen h LEU 29 Cb 0.09 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3hen h LEU 29 CO -0.12 0.81 0.41 0.40 0.09 0.00 0.00 178.44 180.03 3hen h ILE 30 N 0.72 1.21 -0.22 1.22 2.04 -1.24 0.13 117.51 121.37 3hen h ILE 30 Ca 0.16 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.56 3hen h ILE 30 Cb 0.33 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3hen h ILE 30 CO 0.00 0.22 0.10 -0.09 0.00 0.00 0.00 178.15 178.38 3hen h ARG 31 N 0.95 0.22 -0.07 2.37 9.65 -1.04 -0.60 114.38 125.86 3hen h ARG 31 Ca 0.25 -0.01 0.03 0.00 -1.10 0.00 0.00 59.98 59.15 3hen h ARG 31 Cb -0.01 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.49 3hen h ARG 31 CO -0.04 0.15 -0.15 1.25 2.80 0.00 0.00 179.97 183.97 3hen h LEU 32 N 0.23 -0.44 -0.82 3.80 5.85 -0.58 -0.67 115.31 122.67 3hen h LEU 32 Ca 0.09 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.77 3hen h LEU 32 Cb 0.03 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3hen h LEU 32 CO -0.07 -0.20 -0.40 -0.26 -0.34 0.00 0.00 178.44 177.18 3hen h PHE 33 N -0.21 0.46 0.02 1.25 0.04 -0.93 0.15 116.94 117.72 3hen h PHE 33 Ca 0.07 -0.13 -0.27 0.00 2.80 0.00 0.00 57.97 60.44 3hen h PHE 33 Cb 0.31 -0.10 0.02 0.00 2.20 0.00 0.00 35.95 38.38 3hen h PHE 33 CO -0.24 0.74 -1.07 1.79 -0.60 0.00 0.00 178.31 178.93 3hen h THR 34 N 0.33 1.28 -0.15 -1.55 1.35 -1.06 -2.84 112.91 110.27 3hen h THR 34 Ca 0.03 -2.27 -0.16 0.00 -0.55 0.00 0.00 66.41 63.46 3hen h THR 34 Cb 0.85 2.42 -0.01 0.00 -1.73 0.00 0.00 68.15 69.68 3hen h THR 34 CO 0.07 0.70 -0.57 1.23 -0.25 0.00 0.00 175.52 176.70 3hen h GLY 35 N 0.38 0.51 -6.31 5.82 0.00 -1.14 -3.40 103.07 98.94 3hen h GLY 35 Ca -0.14 -0.60 -0.59 0.00 0.00 0.00 0.00 47.33 46.00 3hen h GLY 35 CO 0.21 0.54 -0.99 1.42 0.00 0.00 0.00 176.54 177.72 3hen n HIS 36 N -3.93 -0.74 -0.21 5.60 8.25 0.04 -5.01 115.22 119.21 3hen n HIS 36 Ca -0.03 -3.37 0.28 0.00 -0.26 0.00 0.00 57.72 54.34 3hen n HIS 36 Cb 0.61 0.14 0.69 0.00 1.12 0.00 0.00 29.99 32.55 3hen n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3hen h PRO 37 N 5.33 0.07 0.00 -0.41 0.11 -1.71 -1.76 132.00 133.62 3hen h PRO 37 Ca 0.23 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.33 3hen h PRO 37 Cb 0.90 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 3hen h PRO 37 CO 0.40 0.04 -0.02 1.05 -0.21 0.00 0.00 178.00 179.26 3hen h GLU 38 N 0.07 0.00 -0.02 1.05 9.09 -1.93 -2.20 114.58 120.64 3hen h GLU 38 Ca 0.46 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.80 3hen h GLU 38 Cb 1.72 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.80 3hen h GLU 38 CO -0.04 0.02 -0.34 1.79 0.05 0.00 0.00 179.01 180.49 3hen h THR 39 N 0.00 1.25 0.00 -1.06 1.35 -1.65 -2.69 112.91 110.11 3hen h THR 39 Ca -0.00 -1.21 -0.06 0.00 -0.55 0.00 0.00 66.41 64.59 3hen h THR 39 Cb 0.06 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 68.10 3hen h THR 39 CO 0.00 0.35 -0.30 0.25 -0.25 0.00 0.00 175.52 175.57 3hen h LEU 40 N 0.03 0.00 -2.87 3.87 5.85 -1.57 -2.63 115.31 117.98 3hen h LEU 40 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hen h LEU 40 Cb 0.62 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 3hen h LEU 40 CO 0.05 0.30 0.02 -0.33 -0.34 0.00 0.00 178.44 178.14 3hen h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.61 -1.81 114.58 117.49 3hen h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hen h GLU 41 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3hen h GLU 41 CO 0.04 0.00 0.00 0.87 -1.00 0.00 0.00 179.01 178.92 3hen h LYS 42 N 0.00 0.00 -3.81 2.33 1.79 -1.64 -3.41 116.57 111.83 3hen h LYS 42 Ca 0.00 0.00 -0.79 0.00 -2.18 0.00 0.00 60.65 57.69 3hen h LYS 42 Cb 0.05 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 30.44 3hen h LYS 42 CO -0.00 0.00 0.09 -0.06 -1.08 0.00 0.00 179.45 178.40 3hen s PHE 43 N -3.20 3.77 0.43 -1.35 0.40 -0.68 -4.92 117.98 112.42 3hen s PHE 43 Ca 0.08 -2.05 0.14 0.00 -0.60 0.00 0.00 56.93 54.50 3hen s PHE 43 Cb 0.11 -3.79 1.02 0.00 0.51 0.00 0.00 43.02 40.86 3hen s PHE 43 CO 0.54 -0.98 1.95 -0.44 0.70 0.00 0.00 175.22 176.99 3hen h ASP 44 N 7.70 0.40 0.20 1.36 3.32 -1.85 0.62 116.42 128.17 3hen h ASP 44 Ca 0.11 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 3hen h ASP 44 Cb 1.03 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 3hen h ASP 44 CO 0.76 0.23 -0.19 0.11 -1.72 0.00 0.00 179.24 178.42 3hen h LYS 45 N 0.44 0.00 0.00 3.56 1.57 -1.96 -3.35 116.57 116.83 3hen h LYS 45 Ca 0.33 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.08 3hen h LYS 45 Cb 0.68 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.93 3hen h LYS 45 CO -0.10 0.19 -0.46 1.97 -0.57 0.00 0.00 179.45 180.48 3hen n PHE 46 N -4.29 0.00 0.27 -1.35 1.16 -0.54 -4.82 117.46 107.89 3hen n PHE 46 Ca -0.02 -0.09 0.08 0.00 -1.87 0.00 0.00 57.45 55.55 3hen n PHE 46 Cb 0.25 0.02 0.39 0.00 -1.61 0.00 0.00 39.48 38.54 3hen n PHE 46 CO 0.00 0.00 0.00 0.36 -1.87 0.00 0.00 176.76 175.25 3hen n LYS 47 N 0.07 0.10 0.20 3.97 2.85 0.10 -2.10 118.16 123.35 3hen n LYS 47 Ca -0.00 0.47 0.09 0.00 -1.05 0.00 0.00 58.31 57.81 3hen n LYS 47 Cb 0.72 -1.76 0.19 0.00 -0.65 0.00 0.00 35.03 33.54 3hen n LYS 47 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 3hen h HIS 48 N 0.00 0.00 -4.00 5.58 2.07 -1.86 -3.46 115.15 113.48 3hen h HIS 48 Ca 0.00 0.00 -0.54 0.00 -2.85 0.00 0.00 60.37 56.98 3hen h HIS 48 Cb 0.17 0.00 0.11 0.00 2.57 0.00 0.00 27.41 30.26 3hen h HIS 48 CO 0.00 0.19 0.64 -0.51 -3.07 0.00 0.00 177.93 175.18 3hen s LEU 49 N -6.35 4.04 0.00 6.12 1.43 -0.89 -4.98 118.68 118.04 3hen s LEU 49 Ca 0.05 2.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.93 3hen s LEU 49 Cb 0.07 -4.06 0.00 0.00 0.03 0.00 0.00 46.19 42.23 3hen s LEU 49 CO 0.68 -1.23 0.00 0.29 0.23 0.00 0.00 176.35 176.32 3hen n LYS 50 N -0.43 2.73 -4.46 1.70 5.02 -1.26 -5.07 118.16 116.39 3hen n LYS 50 Ca 0.07 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.13 3hen n LYS 50 Cb 0.44 -0.98 -0.10 0.00 -0.02 0.00 0.00 35.03 34.36 3hen n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3hen s THR 51 N -1.96 2.14 0.25 -0.18 -4.23 -1.26 -5.05 115.64 105.34 3hen s THR 51 Ca 0.00 -2.27 -0.03 0.00 -1.18 0.00 0.00 61.69 58.20 3hen s THR 51 Cb 0.00 -2.36 0.10 0.00 1.34 0.00 0.00 72.50 71.59 3hen s THR 51 CO 0.00 -0.37 1.74 -0.08 -0.54 0.00 0.00 174.62 175.36 3hen h GLU 52 N 2.27 0.83 -0.92 3.99 4.81 -1.99 -1.35 114.58 122.23 3hen h GLU 52 Ca -0.40 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 58.60 3hen h GLU 52 Cb 1.25 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 3hen h GLU 52 CO 0.64 0.84 0.61 0.00 -0.73 0.00 0.00 179.01 180.37 3hen h ALA 53 N 1.21 1.16 -0.39 2.92 0.00 -1.99 0.21 119.26 122.38 3hen h ALA 53 Ca 0.15 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3hen h ALA 53 Cb 0.48 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3hen h ALA 53 CO 0.02 0.56 0.14 0.93 0.00 0.00 0.00 179.25 180.90 3hen h GLU 54 N 1.24 0.59 -0.46 0.00 5.08 -1.88 -1.97 114.58 117.19 3hen h GLU 54 Ca 0.34 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.61 3hen h GLU 54 Cb -0.14 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 28.98 3hen h GLU 54 CO -0.07 0.58 0.25 0.52 -1.00 0.00 0.00 179.01 179.28 3hen h MET 55 N 0.48 0.48 -0.39 2.33 2.86 -0.80 -1.50 114.93 118.40 3hen h MET 55 Ca 0.13 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 3hen h MET 55 Cb 0.22 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 3hen h MET 55 CO -0.01 0.32 0.05 0.87 1.06 0.00 0.00 176.91 179.20 3hen h LYS 56 N 0.49 0.59 0.00 1.72 1.57 -0.90 -2.56 116.57 117.48 3hen h LYS 56 Ca 0.19 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3hen h LYS 56 Cb 0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3hen h LYS 56 CO -0.12 0.57 -0.18 0.00 -0.57 0.00 0.00 179.45 179.15 3hen h ALA 57 N 1.49 0.98 -2.12 3.86 0.00 -1.15 -3.46 119.26 118.87 3hen h ALA 57 Ca 0.13 -0.17 -0.56 0.00 0.00 0.00 0.00 54.91 54.31 3hen h ALA 57 Cb 0.28 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3hen h ALA 57 CO 0.00 0.23 1.00 0.45 0.00 0.00 0.00 179.25 180.93 3hen s SER 58 N -6.12 6.72 0.12 0.00 0.15 -0.58 -4.93 113.70 109.06 3hen s SER 58 Ca 0.02 1.72 -0.14 0.00 0.70 0.00 0.00 55.95 58.25 3hen s SER 58 Cb 0.09 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.83 3hen s SER 58 CO 0.63 -0.95 1.52 -0.33 1.20 0.00 0.00 173.24 175.31 3hen h GLU 59 N 9.21 0.74 -0.48 5.44 4.39 -1.89 -2.54 114.58 129.45 3hen h GLU 59 Ca -0.31 -0.29 0.08 0.00 0.34 0.00 0.00 59.36 59.18 3hen h GLU 59 Cb 1.13 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.68 3hen h GLU 59 CO 0.98 0.89 0.11 -0.44 -1.16 0.00 0.00 179.01 179.39 3hen h ASP 60 N 0.54 0.04 -0.41 1.42 3.32 -1.97 -1.25 116.42 118.10 3hen h ASP 60 Ca 0.09 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 3hen h ASP 60 Cb 0.62 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 3hen h ASP 60 CO 0.04 0.05 0.25 0.25 -1.72 0.00 0.00 179.24 178.11 3hen h LEU 61 N 0.25 0.49 -0.92 1.55 6.46 -1.88 -1.34 115.31 119.92 3hen h LEU 61 Ca 0.24 -0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.91 3hen h LEU 61 Cb 0.30 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.07 3hen h LEU 61 CO -0.29 0.40 0.30 0.50 -0.62 0.00 0.00 178.44 178.72 3hen h LYS 62 N 0.55 1.08 -0.51 1.25 3.64 -1.12 -0.59 116.57 120.87 3hen h LYS 62 Ca 0.15 -0.18 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 3hen h LYS 62 Cb -0.01 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 3hen h LYS 62 CO -0.03 0.87 -0.10 0.87 -2.27 0.00 0.00 179.45 178.80 3hen h LYS 63 N 1.06 0.96 -0.35 1.90 1.57 -1.02 -1.64 116.57 119.04 3hen h LYS 63 Ca 0.25 -0.35 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 3hen h LYS 63 Cb 0.19 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3hen h LYS 63 CO -0.02 1.02 0.02 0.28 -0.57 0.00 0.00 179.45 180.18 3hen h VAL 64 N 0.82 1.25 -0.82 0.50 2.07 -0.99 -1.83 116.25 117.24 3hen h VAL 64 Ca 0.13 -0.93 0.09 0.00 0.82 0.00 0.00 66.70 66.81 3hen h VAL 64 Cb 0.65 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 3hen h VAL 64 CO 0.04 0.31 0.54 1.23 0.02 0.00 0.00 177.57 179.71 3hen h GLY 65 N 0.43 1.12 0.90 2.17 0.00 -1.02 -1.44 103.07 105.23 3hen h GLY 65 Ca 0.10 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 3hen h GLY 65 CO 0.01 0.19 -0.14 -0.84 0.00 0.00 0.00 176.54 175.76 3hen h THR 66 N 0.79 1.30 -0.50 4.70 2.02 -1.03 -2.35 112.91 117.84 3hen h THR 66 Ca 0.38 -1.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.31 3hen h THR 66 Cb 0.42 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 3hen h THR 66 CO -0.15 0.39 0.29 0.03 0.37 0.00 0.00 175.52 176.46 3hen h ARG 67 N 0.34 0.69 0.42 6.66 3.08 -0.76 -1.44 114.38 123.36 3hen h ARG 67 Ca 0.06 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3hen h ARG 67 Cb 0.67 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3hen h ARG 67 CO 0.04 0.51 -0.20 0.28 -1.07 0.00 0.00 179.97 179.54 3hen h VAL 68 N 0.67 0.59 -0.09 2.04 2.07 -1.29 -1.96 116.25 118.28 3hen h VAL 68 Ca 0.18 -0.07 -0.10 0.00 0.82 0.00 0.00 66.70 67.53 3hen h VAL 68 Cb 0.01 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3hen h VAL 68 CO -0.03 0.01 -0.41 -0.07 0.02 0.00 0.00 177.57 177.09 3hen h LEU 69 N -0.60 0.20 -0.17 2.57 3.38 -1.41 -1.46 115.31 117.82 3hen h LEU 69 Ca -0.06 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3hen h LEU 69 Cb 0.45 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3hen h LEU 69 CO 0.09 0.59 0.04 0.74 0.09 0.00 0.00 178.44 179.99 3hen h THR 70 N 0.16 1.20 -0.68 0.22 2.02 -1.21 -0.57 112.91 114.06 3hen h THR 70 Ca 0.01 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 3hen h THR 70 Cb 0.79 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.48 3hen h THR 70 CO 0.06 0.20 0.35 0.00 0.37 0.00 0.00 175.52 176.50 3hen h ALA 71 N 0.84 0.88 -0.18 6.16 0.00 -1.26 -1.69 119.26 124.00 3hen h ALA 71 Ca 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3hen h ALA 71 Cb 0.27 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hen h ALA 71 CO 0.00 0.41 0.09 1.25 0.00 0.00 0.00 179.25 181.00 3hen h LEU 72 N 0.94 0.24 -0.70 0.00 5.85 -1.15 -2.20 115.31 118.28 3hen h LEU 72 Ca 0.24 -0.13 0.15 0.00 0.84 0.00 0.00 57.88 58.98 3hen h LEU 72 Cb 0.08 -0.06 -0.11 0.00 0.37 0.00 0.00 40.66 40.93 3hen h LEU 72 CO -0.03 0.30 0.11 1.23 -0.34 0.00 0.00 178.44 179.71 3hen h GLY 73 N 0.16 0.91 0.52 3.75 0.00 -1.04 0.31 103.07 107.67 3hen h GLY 73 Ca 0.06 0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.47 3hen h GLY 73 CO -0.01 -0.21 0.19 -1.33 0.00 0.00 0.00 176.54 175.18 3hen h GLY 74 N 0.21 0.69 0.83 4.60 0.00 -1.16 -1.73 103.07 106.51 3hen h GLY 74 Ca 0.39 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 3hen h GLY 74 CO -0.53 0.01 0.03 -2.22 0.00 0.00 0.00 176.54 173.83 3hen h ILE 75 N 0.37 1.22 -0.81 2.60 2.04 -0.70 -3.22 117.51 119.00 3hen h ILE 75 Ca 0.25 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 3hen h ILE 75 Cb 0.26 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 3hen h ILE 75 CO -0.25 0.22 0.42 -0.07 0.00 0.00 0.00 178.15 178.46 3hen h LEU 76 N 0.09 1.04 -2.38 1.44 3.38 -0.82 -2.28 115.31 115.77 3hen h LEU 76 Ca 0.06 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hen h LEU 76 Cb 0.30 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3hen h LEU 76 CO 0.00 0.86 -0.01 0.11 0.09 0.00 0.00 178.44 179.49 3hen h LYS 77 N 1.15 0.00 0.00 1.13 1.57 -1.33 -1.34 116.57 117.75 3hen h LYS 77 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3hen h LYS 77 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3hen h LYS 77 CO -0.04 0.01 -0.01 1.63 -0.57 0.00 0.00 179.45 180.47 3hen n LYS 78 N -3.15 0.15 -3.65 3.15 4.76 -0.86 -4.94 118.16 113.62 3hen n LYS 78 Ca -0.02 0.12 -0.24 0.00 -2.87 0.00 0.00 58.31 55.30 3hen n LYS 78 Cb 0.16 -1.67 0.07 0.00 -1.84 0.00 0.00 35.03 31.75 3hen n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3hen n LYS 79 N -1.93 -6.96 0.00 1.97 5.02 -0.51 -1.61 118.16 114.14 3hen n LYS 79 Ca 0.06 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 3hen n LYS 79 Cb 0.39 -5.74 0.00 0.00 -0.02 0.00 0.00 35.03 29.66 3hen n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hen n GLY 80 N -1.75 3.29 2.46 0.72 0.00 -1.26 -4.94 105.19 103.71 3hen n GLY 80 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 3hen n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hen n HIS 81 N -1.72 2.54 -1.29 1.61 8.25 -0.63 -4.67 115.22 119.31 3hen n HIS 81 Ca 0.00 -2.82 0.01 0.00 -0.26 0.00 0.00 57.72 54.65 3hen n HIS 81 Cb 0.00 -1.88 0.21 0.00 1.12 0.00 0.00 29.99 29.44 3hen n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3hen n HIS 82 N 1.86 0.89 -0.15 4.41 1.44 -1.26 -4.77 115.22 117.64 3hen n HIS 82 Ca 0.64 -1.34 -0.05 0.00 -2.01 0.00 0.00 57.72 54.96 3hen n HIS 82 Cb 0.26 -0.40 0.13 0.00 0.12 0.00 0.00 29.99 30.10 3hen n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 3hen h GLU 83 N 1.13 0.89 -0.42 -1.40 4.22 -1.99 -1.04 114.58 115.97 3hen h GLU 83 Ca 0.13 -0.23 -0.05 0.00 0.08 0.00 0.00 59.36 59.29 3hen h GLU 83 Cb 1.51 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 3hen h GLU 83 CO 0.29 0.85 0.05 0.00 -2.18 0.00 0.00 179.01 178.01 3hen h ALA 84 N 1.22 1.30 0.05 2.92 0.00 -2.01 -2.31 119.26 120.44 3hen h ALA 84 Ca 0.17 -0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 3hen h ALA 84 Cb 0.41 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hen h ALA 84 CO 0.01 0.48 -1.04 0.93 0.00 0.00 0.00 179.25 179.64 3hen h GLU 85 N 0.62 0.26 0.01 0.00 3.07 -1.79 -3.33 114.58 113.42 3hen h GLU 85 Ca 0.13 -0.34 -0.19 0.00 -0.50 0.00 0.00 59.36 58.46 3hen h GLU 85 Cb 0.32 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 3hen h GLU 85 CO 0.01 1.09 -0.88 1.25 -1.40 0.00 0.00 179.01 179.08 3hen h LEU 86 N 0.11 0.17 -0.36 1.33 5.85 -1.05 -3.35 115.31 118.01 3hen h LEU 86 Ca -0.08 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.56 3hen h LEU 86 Cb 1.72 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.61 3hen h LEU 86 CO 0.17 0.96 -0.48 0.11 -0.34 0.00 0.00 178.44 178.86 3hen h LYS 87 N 0.07 -0.37 0.00 1.25 1.57 -1.52 0.26 116.57 117.81 3hen h LYS 87 Ca -0.03 0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3hen h LYS 87 Cb 1.52 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.91 3hen h LYS 87 CO 0.13 -0.25 -0.26 -1.00 -0.57 0.00 0.00 179.45 177.50 3hen h PRO 88 N -0.39 0.00 -0.05 3.15 0.13 -1.77 -2.43 132.00 130.64 3hen h PRO 88 Ca 0.10 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.21 3hen h PRO 88 Cb 0.60 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 3hen h PRO 88 CO -0.56 0.26 -0.08 1.25 -0.23 0.00 0.00 178.00 178.64 3hen h LEU 89 N 0.00 0.16 -0.57 1.56 5.85 -1.53 -2.07 115.31 118.71 3hen h LEU 89 Ca -0.00 -0.54 0.06 0.00 0.84 0.00 0.00 57.88 58.24 3hen h LEU 89 Cb 0.52 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 3hen h LEU 89 CO 0.03 0.66 0.29 0.00 -0.34 0.00 0.00 178.44 179.08 3hen h ALA 90 N 0.50 0.74 0.14 1.25 0.00 -0.92 -2.20 119.26 118.77 3hen h ALA 90 Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hen h ALA 90 Cb 0.63 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hen h ALA 90 CO 0.02 -0.06 -0.09 0.37 0.00 0.00 0.00 179.25 179.48 3hen h GLN 91 N 0.54 -0.22 -0.35 0.00 5.75 -1.33 -1.38 115.11 118.12 3hen h GLN 91 Ca 0.26 0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 58.67 3hen h GLN 91 Cb 0.18 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 3hen h GLN 91 CO -0.18 -0.15 -0.20 0.66 -2.65 0.00 0.00 178.83 176.30 3hen h SER 92 N -0.23 0.67 1.27 -0.69 4.64 -1.29 -2.60 113.55 115.32 3hen h SER 92 Ca -0.01 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3hen h SER 92 Cb 0.20 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3hen h SER 92 CO 0.00 0.87 0.00 1.41 -0.87 0.00 0.00 176.83 178.24 3hen n HIS 93 N -4.13 0.55 0.90 4.77 8.25 -0.83 -1.41 115.22 123.32 3hen n HIS 93 Ca 0.00 0.16 0.10 0.00 -0.26 0.00 0.00 57.72 57.73 3hen n HIS 93 Cb 0.40 -0.76 -0.10 0.00 1.12 0.00 0.00 29.99 30.65 3hen n HIS 93 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hen n ALA 94 N -1.67 4.49 0.03 -1.41 0.00 -0.53 -1.57 120.51 119.85 3hen n ALA 94 Ca 0.06 -0.57 -0.00 0.00 0.00 0.00 0.00 53.44 52.93 3hen n ALA 94 Cb 0.39 -0.79 -0.00 0.00 0.00 0.00 0.00 19.45 19.05 3hen n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hen n THR 95 N -1.58 0.74 0.09 0.00 -2.24 -1.00 -4.68 114.28 105.61 3hen n THR 95 Ca 0.03 0.24 -0.09 0.00 -2.27 0.00 0.00 64.05 61.97 3hen n THR 95 Cb 0.35 -1.37 -0.06 0.00 -2.10 0.00 0.00 70.33 67.15 3hen n THR 95 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3hen h LYS 96 N -0.02 -0.30 0.00 -0.78 1.63 -1.64 -3.39 116.57 112.07 3hen h LYS 96 Ca 0.00 0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 59.72 3hen h LYS 96 Cb 0.02 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 3hen h LYS 96 CO 0.00 0.01 -1.25 0.72 -3.45 0.00 0.00 179.45 175.48 3hen n HIS 97 N -4.98 0.97 -3.54 1.91 -0.00 -0.50 -5.03 115.22 104.06 3hen n HIS 97 Ca -0.07 0.31 -0.18 0.00 -0.00 0.00 0.00 57.72 57.78 3hen n HIS 97 Cb 0.22 -1.03 0.01 0.00 -0.00 0.00 0.00 29.99 29.19 3hen n HIS 97 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3hen n LYS 98 N -2.79 -1.37 -3.46 -0.41 4.76 -0.87 -4.94 118.16 109.07 3hen n LYS 98 Ca -0.06 0.93 -0.43 0.00 -2.87 0.00 0.00 58.31 55.88 3hen n LYS 98 Cb 0.72 -3.80 -0.09 0.00 -1.84 0.00 0.00 35.03 30.01 3hen n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3hen s ILE 99 N -3.10 5.12 0.71 -0.18 -1.09 -0.61 -5.03 121.20 117.03 3hen s ILE 99 Ca 0.11 -0.85 -0.16 0.00 -2.23 0.00 0.00 60.65 57.52 3hen s ILE 99 Cb -0.04 -3.93 0.02 0.00 -1.58 0.00 0.00 42.46 36.93 3hen s ILE 99 CO 0.84 -0.40 1.16 -2.65 -1.23 0.00 0.00 174.94 172.67 3hen n PRO 100 N 5.14 0.66 -0.12 2.79 -0.02 -1.26 -4.86 135.00 137.33 3hen n PRO 100 Ca -0.11 0.29 0.05 0.00 -2.02 0.00 0.00 63.50 61.70 3hen n PRO 100 Cb 0.46 -2.40 0.37 0.00 -0.02 0.00 0.00 33.50 31.90 3hen n PRO 100 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3hen h ILE 101 N -0.11 1.07 -0.95 4.25 1.08 -1.05 -1.45 117.51 120.35 3hen h ILE 101 Ca -0.48 -0.24 0.10 0.00 -0.39 0.00 0.00 64.86 63.85 3hen h ILE 101 Cb 1.33 0.30 -0.07 0.00 -3.07 0.00 0.00 36.82 35.31 3hen h ILE 101 CO 0.49 0.13 0.61 0.50 -0.69 0.00 0.00 178.15 179.19 3hen h LYS 102 N 0.71 0.92 0.00 2.37 3.64 -1.90 -1.30 116.57 121.02 3hen h LYS 102 Ca 0.25 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.46 3hen h LYS 102 Cb 0.10 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3hen h LYS 102 CO -0.07 0.61 -0.51 1.88 -2.27 0.00 0.00 179.45 179.09 3hen h TYR 103 N 0.95 0.00 -0.08 1.91 -1.99 -1.61 -1.12 116.97 115.03 3hen h TYR 103 Ca 0.45 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 61.06 3hen h TYR 103 Cb 0.42 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.14 3hen h TYR 103 CO -0.00 0.51 -0.49 -0.07 -0.00 0.00 0.00 178.16 178.11 3hen h LEU 104 N 0.00 0.23 -0.19 3.88 3.38 -1.17 -1.45 115.31 119.99 3hen h LEU 104 Ca -0.01 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3hen h LEU 104 Cb 0.91 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3hen h LEU 104 CO 0.07 0.68 0.10 -0.08 0.09 0.00 0.00 178.44 179.31 3hen h GLU 105 N 0.17 0.26 -0.50 1.13 4.81 -0.65 -2.01 114.58 117.79 3hen h GLU 105 Ca 0.01 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.28 3hen h GLU 105 Cb 0.93 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.20 3hen h GLU 105 CO 0.07 0.26 0.14 0.74 -0.73 0.00 0.00 179.01 179.49 3hen h PHE 106 N 0.20 0.24 -0.11 0.92 0.04 -0.89 -2.31 116.94 115.03 3hen h PHE 106 Ca 0.07 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.75 3hen h PHE 106 Cb 0.07 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 3hen h PHE 106 CO -0.04 0.04 -0.44 0.97 -0.60 0.00 0.00 178.31 178.25 3hen h ILE 107 N 0.29 1.32 -0.31 -0.55 2.10 -1.22 -1.81 117.51 117.33 3hen h ILE 107 Ca 0.25 -1.58 0.04 0.00 1.08 0.00 0.00 64.86 64.64 3hen h ILE 107 Cb 0.31 1.72 -0.04 0.00 -1.09 0.00 0.00 36.82 37.72 3hen h ILE 107 CO -0.29 0.47 0.09 0.28 -1.08 0.00 0.00 178.15 177.62 3hen h SER 108 N 0.20 0.08 -0.47 2.19 0.02 -1.06 -1.03 113.55 113.48 3hen h SER 108 Ca 0.02 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3hen h SER 108 Cb 0.86 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.41 3hen h SER 108 CO 0.07 0.08 0.21 0.44 -1.14 0.00 0.00 176.83 176.49 3hen h ASP 109 N 0.22 0.68 -0.67 3.07 3.32 -1.23 -1.77 116.42 120.03 3hen h ASP 109 Ca 0.14 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 3hen h ASP 109 Cb 0.12 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3hen h ASP 109 CO -0.16 0.61 0.21 0.00 -1.72 0.00 0.00 179.24 178.19 3hen h ALA 110 N 1.49 0.87 -0.06 3.45 0.00 -0.79 -0.84 119.26 123.39 3hen h ALA 110 Ca 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hen h ALA 110 Cb 0.15 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3hen h ALA 110 CO -0.02 0.55 0.01 0.82 0.00 0.00 0.00 179.25 180.61 3hen h ILE 111 N 0.97 1.21 -0.47 0.00 2.04 -0.76 -1.29 117.51 119.21 3hen h ILE 111 Ca 0.22 -0.63 0.03 0.00 1.00 0.00 0.00 64.86 65.48 3hen h ILE 111 Cb 0.29 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 3hen h ILE 111 CO -0.01 0.17 0.25 0.40 0.00 0.00 0.00 178.15 178.97 3hen h ILE 112 N -0.14 1.00 -0.58 -0.67 2.04 -1.24 -1.25 117.51 116.66 3hen h ILE 112 Ca 0.02 -0.17 0.08 0.00 1.00 0.00 0.00 64.86 65.78 3hen h ILE 112 Cb 0.27 0.45 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 3hen h ILE 112 CO 0.00 0.09 0.25 -0.74 0.00 0.00 0.00 178.15 177.76 3hen h HIS 113 N 0.51 0.45 -0.51 1.37 2.76 -1.03 -2.00 115.15 116.69 3hen h HIS 113 Ca 0.20 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.27 3hen h HIS 113 Cb 0.07 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 3hen h HIS 113 CO -0.09 0.16 -0.17 0.28 -1.30 0.00 0.00 177.93 176.81 3hen h VAL 114 N 0.46 1.27 -0.75 5.26 2.07 -0.74 -1.31 116.25 122.51 3hen h VAL 114 Ca 0.28 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 3hen h VAL 114 Cb 0.29 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3hen h VAL 114 CO -0.25 0.47 0.27 -0.07 0.02 0.00 0.00 177.57 178.00 3hen h LEU 115 N 0.89 1.07 -0.46 2.57 3.38 -1.11 -0.91 115.31 120.74 3hen h LEU 115 Ca 0.12 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 3hen h LEU 115 Cb 0.75 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3hen h LEU 115 CO 0.06 0.97 -0.34 -0.74 0.09 0.00 0.00 178.44 178.48 3hen h HIS 116 N 1.11 1.07 -0.37 1.13 2.76 -1.19 -0.19 115.15 119.47 3hen h HIS 116 Ca 0.25 -0.30 -0.14 0.00 -2.20 0.00 0.00 60.37 57.97 3hen h HIS 116 Cb 0.26 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 3hen h HIS 116 CO 0.02 1.11 -0.34 1.03 -1.30 0.00 0.00 177.93 178.45 3hen h SER 117 N 0.75 0.89 0.24 3.26 0.87 -0.96 -3.10 113.55 115.49 3hen h SER 117 Ca 0.07 -0.38 -0.33 0.00 -1.23 0.00 0.00 61.79 59.91 3hen h SER 117 Cb 0.92 -0.25 -0.06 0.00 -0.44 0.00 0.00 62.40 62.58 3hen h SER 117 CO 0.09 1.14 -2.05 0.29 -0.53 0.00 0.00 176.83 175.77 3hen n LYS 118 N -4.06 0.67 -2.96 2.24 5.02 -0.37 -4.60 118.16 114.09 3hen n LYS 118 Ca -0.01 0.17 -0.20 0.00 -2.02 0.00 0.00 58.31 56.24 3hen n LYS 118 Cb 0.51 -1.66 -0.02 0.00 -0.02 0.00 0.00 35.03 33.84 3hen n LYS 118 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3hen n HIS 119 N -2.98 1.77 0.12 2.13 8.25 -0.09 -4.93 115.22 119.48 3hen n HIS 119 Ca -0.26 -3.63 0.08 0.00 -0.26 0.00 0.00 57.72 53.66 3hen n HIS 119 Cb 1.09 -0.40 0.56 0.00 1.12 0.00 0.00 29.99 32.36 3hen n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3hen h PRO 120 N 2.95 0.21 0.00 -0.41 0.13 -1.70 -1.01 132.00 132.18 3hen h PRO 120 Ca 0.10 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3hen h PRO 120 Cb 0.87 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3hen h PRO 120 CO 0.63 0.14 0.00 0.41 -0.23 0.00 0.00 178.00 178.94 3hen n GLY 121 N -1.53 -1.37 0.77 1.56 0.00 -1.26 -1.53 105.19 101.83 3hen n GLY 121 Ca 0.01 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.08 3hen n GLY 121 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hen n ASP 122 N -1.82 3.44 -2.92 1.61 9.92 -0.42 -4.76 116.55 121.60 3hen n ASP 122 Ca 0.05 -2.56 -0.13 0.00 -0.53 0.00 0.00 54.79 51.62 3hen n ASP 122 Cb 0.29 -0.40 0.04 0.00 -0.64 0.00 0.00 41.12 40.41 3hen n ASP 122 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 3hen n PHE 123 N -0.06 -1.65 -1.41 1.24 7.35 -0.58 -4.36 117.46 117.99 3hen n PHE 123 Ca 0.17 -2.81 -0.19 0.00 -0.76 0.00 0.00 57.45 53.86 3hen n PHE 123 Cb 0.68 0.80 0.14 0.00 0.35 0.00 0.00 39.48 41.45 3hen n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hen n GLY 124 N 0.35 -1.68 0.26 7.13 0.00 -1.22 -4.64 105.19 105.40 3hen n GLY 124 Ca 0.14 -1.64 0.03 0.00 0.00 0.00 0.00 46.02 44.55 3hen n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hen h ALA 125 N -2.01 0.67 -0.23 4.61 0.00 -1.99 -0.42 119.26 119.88 3hen h ALA 125 Ca -0.27 0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 3hen h ALA 125 Cb 0.76 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3hen h ALA 125 CO 0.19 -0.42 -0.57 -0.44 0.00 0.00 0.00 179.25 178.00 3hen h ASP 126 N 0.08 0.81 -0.26 0.00 3.32 -2.00 -2.50 116.42 115.87 3hen h ASP 126 Ca 0.38 -0.45 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 3hen h ASP 126 Cb 0.63 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 3hen h ASP 126 CO -0.65 1.21 -0.12 0.00 -1.72 0.00 0.00 179.24 177.96 3hen h ALA 127 N 0.80 1.09 -0.56 3.45 0.00 -1.66 -1.51 119.26 120.88 3hen h ALA 127 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.63 3hen h ALA 127 Cb 1.16 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3hen h ALA 127 CO 0.12 0.56 0.36 1.96 0.00 0.00 0.00 179.25 182.25 3hen h GLN 128 N 0.61 0.70 -0.39 0.00 4.20 -1.00 -0.70 115.11 118.52 3hen h GLN 128 Ca 0.11 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 3hen h GLN 128 Cb 0.55 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 3hen h GLN 128 CO 0.03 0.46 -0.14 0.78 -0.67 0.00 0.00 178.83 179.29 3hen h GLY 129 N 0.72 0.77 0.95 3.46 0.00 -1.18 -0.59 103.07 107.20 3hen h GLY 129 Ca 0.21 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 3hen h GLY 129 CO -0.07 0.54 0.11 0.00 0.00 0.00 0.00 176.54 177.12 3hen h ALA 130 N 1.20 0.26 -0.61 3.60 0.00 -1.02 -1.78 119.26 120.91 3hen h ALA 130 Ca 0.11 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3hen h ALA 130 Cb 0.60 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3hen h ALA 130 CO 0.04 -0.21 0.04 1.98 0.00 0.00 0.00 179.25 181.10 3hen h MET 131 N 0.22 1.04 -0.63 0.00 -1.53 -1.01 -1.57 114.93 111.43 3hen h MET 131 Ca 0.07 -0.30 0.08 0.00 -3.44 0.00 0.00 59.70 56.11 3hen h MET 131 Cb 0.06 -0.11 -0.06 0.00 -0.55 0.00 0.00 31.60 30.94 3hen h MET 131 CO -0.01 0.99 0.30 1.15 0.14 0.00 0.00 176.91 179.48 3hen h THR 132 N 0.96 0.87 -0.43 -0.77 2.02 -1.00 -1.04 112.91 113.51 3hen h THR 132 Ca 0.18 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 3hen h THR 132 Cb 0.50 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3hen h THR 132 CO 0.02 0.10 0.04 0.11 0.37 0.00 0.00 175.52 176.16 3hen h LYS 133 N 0.54 0.73 -0.42 6.66 1.57 -0.98 -1.41 116.57 123.25 3hen h LYS 133 Ca 0.30 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3hen h LYS 133 Cb 0.29 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3hen h LYS 133 CO -0.24 0.78 0.27 0.00 -0.57 0.00 0.00 179.45 179.69 3hen h ALA 134 N 0.92 0.54 -0.03 3.86 0.00 -1.05 -1.68 119.26 121.82 3hen h ALA 134 Ca 0.13 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3hen h ALA 134 Cb 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hen h ALA 134 CO 0.01 0.01 -0.43 -0.07 0.00 0.00 0.00 179.25 178.78 3hen h LEU 135 N 0.57 0.06 -0.58 0.00 3.38 -1.16 -1.94 115.31 115.64 3hen h LEU 135 Ca 0.15 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3hen h LEU 135 Cb -0.04 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3hen h LEU 135 CO -0.03 0.48 0.21 -0.33 0.09 0.00 0.00 178.44 178.87 3hen h GLU 136 N 0.05 0.88 -0.22 1.13 5.08 -1.10 -1.96 114.58 118.44 3hen h GLU 136 Ca 0.00 -0.17 0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3hen h GLU 136 Cb 0.78 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 3hen h GLU 136 CO 0.06 0.77 -0.12 1.25 -1.00 0.00 0.00 179.01 179.97 3hen h LEU 137 N 0.81 -0.39 0.07 1.33 5.85 -1.18 0.01 115.31 121.81 3hen h LEU 137 Ca 0.19 0.09 0.03 0.00 0.84 0.00 0.00 57.88 59.03 3hen h LEU 137 Cb 0.23 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 3hen h LEU 137 CO -0.01 -0.15 -0.33 0.15 -0.34 0.00 0.00 178.44 177.76 3hen h PHE 138 N -0.09 -0.89 -0.78 1.25 3.57 -1.19 -0.98 116.94 117.82 3hen h PHE 138 Ca 0.12 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.68 3hen h PHE 138 Cb 0.28 0.38 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 3hen h PHE 138 CO -0.28 -0.43 0.49 0.00 -2.23 0.00 0.00 178.31 175.86 3hen h ARG 139 N -0.52 0.92 -0.37 1.11 3.08 -1.16 -1.60 114.38 115.84 3hen h ARG 139 Ca 0.04 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3hen h ARG 139 Cb 0.57 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 3hen h ARG 139 CO -0.22 0.61 0.21 -0.97 -1.07 0.00 0.00 179.97 178.53 3hen h ASN 140 N 0.94 0.45 -0.30 7.04 -1.24 -0.80 0.30 115.58 121.97 3hen h ASN 140 Ca 0.32 -0.07 -0.13 0.00 0.71 0.00 0.00 56.30 57.13 3hen h ASN 140 Cb 0.05 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 3hen h ASN 140 CO -0.13 0.39 -0.30 0.44 -1.29 0.00 0.00 177.43 176.54 3hen h ASP 141 N 0.47 0.85 -0.47 1.15 3.32 -1.00 -2.07 116.42 118.66 3hen h ASP 141 Ca 0.13 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.84 3hen h ASP 141 Cb 0.03 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3hen h ASP 141 CO -0.02 1.08 0.30 0.40 -1.72 0.00 0.00 179.24 179.28 3hen h ILE 142 N 0.69 1.13 -0.90 0.35 1.08 -1.19 -2.73 117.51 115.94 3hen h ILE 142 Ca 0.08 -0.25 0.06 0.00 -0.39 0.00 0.00 64.86 64.35 3hen h ILE 142 Cb 0.84 0.46 -0.06 0.00 -3.07 0.00 0.00 36.82 34.99 3hen h ILE 142 CO 0.07 0.13 0.59 0.00 -0.69 0.00 0.00 178.15 178.25 3hen h ALA 143 N 1.16 1.49 -0.81 1.87 0.00 -0.86 0.11 119.26 122.22 3hen h ALA 143 Ca 0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3hen h ALA 143 Cb -0.05 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 3hen h ALA 143 CO -0.04 0.39 0.37 0.00 0.00 0.00 0.00 179.25 179.97 3hen h ALA 144 N 1.50 1.04 -0.31 0.00 0.00 -1.21 -2.53 119.26 117.76 3hen h ALA 144 Ca 0.38 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 3hen h ALA 144 Cb 0.14 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3hen h ALA 144 CO -0.13 0.63 -0.50 0.87 0.00 0.00 0.00 179.25 180.11 3hen h LYS 145 N 1.15 0.88 -0.76 0.00 1.79 -1.04 -3.16 116.57 115.43 3hen h LYS 145 Ca 0.27 -0.53 0.17 0.00 -2.18 0.00 0.00 60.65 58.39 3hen h LYS 145 Cb 0.15 0.05 -0.12 0.00 -1.58 0.00 0.00 32.23 30.73 3hen h LYS 145 CO -0.03 1.17 0.09 1.88 -1.08 0.00 0.00 179.45 181.47 3hen h TYR 146 N 0.68 0.10 -0.18 -1.35 -1.99 -0.50 -0.76 116.97 112.97 3hen h TYR 146 Ca 0.03 0.05 0.04 0.00 2.00 0.00 0.00 58.73 60.85 3hen h TYR 146 Cb 1.11 0.07 -0.04 0.00 2.00 0.00 0.00 36.73 39.87 3hen h TYR 146 CO 0.07 -0.19 -0.07 -0.22 -0.00 0.00 0.00 178.16 177.75 3hen h LYS 147 N 0.16 -0.03 -0.53 4.88 1.63 -1.42 -0.72 116.57 120.54 3hen h LYS 147 Ca 0.43 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.23 3hen h LYS 147 Cb 0.76 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.37 3hen h LYS 147 CO -0.61 -0.02 0.32 0.93 -3.45 0.00 0.00 179.45 176.62 3hen h GLU 148 N -0.03 0.72 0.00 1.90 5.08 -1.45 -1.56 114.58 119.24 3hen h GLU 148 Ca 0.09 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3hen h GLU 148 Cb 0.18 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3hen h GLU 148 CO -0.21 0.52 0.00 1.28 -1.00 0.00 0.00 179.01 179.60 3hen n LEU 149 N -4.67 0.00 0.00 1.33 4.77 -0.35 -4.90 117.00 113.18 3hen n LEU 149 Ca 0.03 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3hen n LEU 149 Cb 0.05 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3hen n LEU 149 CO 0.36 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3hen n GLY 150 N 0.38 0.55 3.24 -0.72 0.00 -0.39 -5.01 105.19 103.24 3hen n GLY 150 Ca 0.10 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 3hen n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hen s PHE 151 N -2.00 3.12 -0.77 1.61 5.36 -0.51 -5.04 117.98 119.76 3hen s PHE 151 Ca 0.00 -1.42 -0.26 0.00 -0.96 0.00 0.00 56.93 54.29 3hen s PHE 151 Cb 0.00 -2.13 0.04 0.00 -0.34 0.00 0.00 43.02 40.59 3hen s PHE 151 CO 0.00 -0.69 1.25 -1.14 -1.46 0.00 0.00 175.22 173.18 3hen s GLN 152 N 1.37 3.24 0.00 10.12 2.00 -1.26 -4.10 119.66 131.02 3hen s GLN 152 Ca 0.00 -0.47 0.32 0.00 -2.00 0.00 0.00 55.36 53.21 3hen s GLN 152 Cb -0.17 -4.35 1.84 0.00 0.80 0.00 0.00 33.01 31.13 3hen s GLN 152 CO -0.02 -2.10 2.19 0.41 -0.50 0.00 0.00 175.29 175.27