#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ami s VAL 2 N 0.00 2.88 -2.71 5.15 -7.23 -1.26 -4.92 120.40 112.31 2ami s VAL 2 Ca 0.00 0.88 0.00 0.00 -1.81 0.00 0.00 61.98 61.05 2ami s VAL 2 Cb 0.00 -3.56 0.00 0.00 0.56 0.00 0.00 36.38 33.38 2ami s VAL 2 CO 0.00 0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.60 2ami n GLY 3 N 0.86 -0.54 3.34 2.32 0.00 -1.26 -5.09 105.19 104.82 2ami n GLY 3 Ca 0.00 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 2ami n GLY 3 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ami s LEU 4 N 0.00 5.56 1.03 0.99 1.43 -1.26 -5.01 118.68 121.42 2ami s LEU 4 Ca 0.00 -1.45 -0.12 0.00 -1.03 0.00 0.00 54.13 51.53 2ami s LEU 4 Cb 0.00 -2.12 0.21 0.00 0.03 0.00 0.00 46.19 44.30 2ami s LEU 4 CO 0.00 -0.64 1.07 0.42 0.23 0.00 0.00 176.35 177.43 2ami s THR 5 N 1.56 2.21 0.22 5.49 -4.23 -1.26 -4.75 115.64 114.88 2ami s THR 5 Ca 0.04 0.07 -0.08 0.00 -1.18 0.00 0.00 61.69 60.53 2ami s THR 5 Cb -0.25 -2.31 0.16 0.00 1.34 0.00 0.00 72.50 71.45 2ami s THR 5 CO 0.05 -0.09 1.73 -0.08 -0.54 0.00 0.00 174.62 175.69 2ami h GLU 6 N -2.11 0.37 -0.06 3.99 4.81 -1.98 0.31 114.58 119.91 2ami h GLU 6 Ca -0.54 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 58.70 2ami h GLU 6 Cb 1.31 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.55 2ami h GLU 6 CO 0.51 0.25 -0.40 0.93 -0.73 0.00 0.00 179.01 179.57 2ami h GLU 7 N 0.38 -0.50 -0.69 1.92 5.08 -1.99 0.15 114.58 118.94 2ami h GLU 7 Ca 0.33 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.82 2ami h GLU 7 Cb 0.45 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.74 2ami h GLU 7 CO -0.35 -0.33 0.33 1.96 -1.00 0.00 0.00 179.01 179.62 2ami h GLN 8 N -0.52 0.55 -0.92 2.33 4.20 -1.73 0.39 115.11 119.41 2ami h GLN 8 Ca 0.06 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 2ami h GLN 8 Cb 0.63 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 2ami h GLN 8 CO -0.34 0.36 0.56 0.87 -0.67 0.00 0.00 178.83 179.60 2ami h LYS 9 N 0.56 1.24 -0.04 1.46 1.57 -0.08 0.12 116.57 121.41 2ami h LYS 9 Ca 0.34 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2ami h LYS 9 Cb 0.37 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 2ami h LYS 9 CO -0.27 0.86 0.02 1.96 -0.57 0.00 0.00 179.45 181.45 2ami h GLN 10 N 1.26 0.05 -0.40 3.15 1.08 0.63 0.61 115.11 121.49 2ami h GLN 10 Ca 0.33 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.60 2ami h GLN 10 Cb -0.06 -0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.29 2ami h GLN 10 CO -0.06 0.12 -0.00 0.93 -0.95 0.00 0.00 178.83 178.87 2ami h GLU 11 N -0.04 0.10 -0.58 1.46 5.08 -0.50 0.67 114.58 120.78 2ami h GLU 11 Ca 0.01 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2ami h GLU 11 Cb 0.09 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 2ami h GLU 11 CO -0.00 0.07 0.32 0.82 -1.00 0.00 0.00 179.01 179.21 2ami h ILE 12 N 0.10 0.99 0.13 3.13 2.04 -0.57 0.85 117.51 124.18 2ami h ILE 12 Ca 0.20 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2ami h ILE 12 Cb 0.28 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 2ami h ILE 12 CO -0.33 0.11 -0.09 -0.09 0.00 0.00 0.00 178.15 177.75 2ami h ARG 13 N 0.61 -0.21 -0.35 2.37 9.65 0.24 0.11 114.38 126.80 2ami h ARG 13 Ca 0.25 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 59.18 2ami h ARG 13 Cb 0.12 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.71 2ami h ARG 13 CO -0.15 -0.14 0.15 0.93 2.80 0.00 0.00 179.97 183.56 2ami h GLU 14 N -0.22 0.31 -0.10 0.20 4.39 -0.55 0.73 114.58 119.33 2ami h GLU 14 Ca -0.01 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.72 2ami h GLU 14 Cb 0.19 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.72 2ami h GLU 14 CO 0.00 0.20 -0.20 0.00 -1.16 0.00 0.00 179.01 177.85 2ami h ALA 15 N 1.21 -0.17 -0.17 3.43 0.00 -0.68 0.28 119.26 123.15 2ami h ALA 15 Ca 0.15 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.15 2ami h ALA 15 Cb 0.10 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 2ami h ALA 15 CO -0.13 -0.66 -0.32 0.35 0.00 0.00 0.00 179.25 178.48 2ami h PHE 16 N -0.27 -0.87 -0.26 0.00 3.04 -0.22 0.77 116.94 119.13 2ami h PHE 16 Ca 0.09 0.04 0.05 0.00 3.98 0.00 0.00 57.97 62.13 2ami h PHE 16 Cb 0.40 0.41 -0.05 0.00 2.56 0.00 0.00 35.95 39.27 2ami h PHE 16 CO -0.30 -0.39 -0.04 0.22 -2.02 0.00 0.00 178.31 175.78 2ami h ASP 17 N -0.37 -0.20 0.13 0.41 1.82 -0.46 0.98 116.42 118.73 2ami h ASP 17 Ca 0.11 0.07 0.01 0.00 -0.39 0.00 0.00 57.03 56.83 2ami h ASP 17 Cb 0.54 0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.67 2ami h ASP 17 CO -0.38 -0.07 -0.19 0.25 -1.61 0.00 0.00 179.24 177.25 2ami h LEU 18 N 0.02 -0.52 -1.57 2.28 6.46 -0.61 -2.80 115.31 118.58 2ami h LEU 18 Ca 0.12 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.96 2ami h LEU 18 Cb 0.18 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 2ami h LEU 18 CO -0.25 -0.27 0.31 -0.26 -0.62 0.00 0.00 178.44 177.35 2ami h PHE 19 N -0.38 0.55 0.00 1.25 0.04 -0.17 -2.68 116.94 115.55 2ami h PHE 19 Ca 0.02 0.01 -0.39 0.00 2.80 0.00 0.00 57.97 60.41 2ami h PHE 19 Cb 0.38 -0.19 0.01 0.00 2.20 0.00 0.00 35.95 38.36 2ami h PHE 19 CO -0.17 0.34 2.42 -3.47 -0.60 0.00 0.00 178.31 176.83 2ami n ASP 20 N -4.47 5.38 -0.30 2.17 2.03 0.28 -4.62 116.55 117.02 2ami n ASP 20 Ca 0.05 -2.34 0.09 0.00 0.52 0.00 0.00 54.79 53.11 2ami n ASP 20 Cb 0.10 -1.15 0.31 0.00 -0.72 0.00 0.00 41.12 39.66 2ami n ASP 20 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2ami h THR 21 N 3.20 0.91 0.00 5.18 1.35 -1.65 0.90 112.91 122.80 2ami h THR 21 Ca 0.51 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 66.07 2ami h THR 21 Cb 0.31 -0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.71 2ami h THR 21 CO 1.33 0.15 0.00 0.44 -0.25 0.00 0.00 175.52 177.20 2ami h ASP 22 N 0.85 0.00 -3.07 5.36 3.32 -1.90 -3.46 116.42 117.52 2ami h ASP 22 Ca 0.45 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 57.15 2ami h ASP 22 Cb 0.54 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.10 2ami h ASP 22 CO -0.21 0.00 -0.48 0.61 -1.72 0.00 0.00 179.24 177.44 2ami n GLY 23 N -0.51 -0.34 0.14 2.75 0.00 0.31 -4.90 105.19 102.65 2ami n GLY 23 Ca -0.01 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.05 2ami n GLY 23 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ami h SER 24 N -0.51 0.00 0.00 1.61 4.64 -1.90 -3.47 113.55 113.93 2ami h SER 24 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2ami h SER 24 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2ami h SER 24 CO 0.49 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.06 2ami n GLY 25 N 0.61 2.55 3.73 -0.77 0.00 -1.26 -4.97 105.19 105.08 2ami n GLY 25 Ca 0.03 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 2ami n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ami s THR 26 N -0.77 4.43 -0.18 2.61 -4.23 -1.26 -4.50 115.64 111.74 2ami s THR 26 Ca 0.00 -0.51 -0.29 0.00 -1.18 0.00 0.00 61.69 59.71 2ami s THR 26 Cb 0.00 -3.00 -0.00 0.00 1.34 0.00 0.00 72.50 70.83 2ami s THR 26 CO 0.00 0.36 1.13 -0.63 -0.54 0.00 0.00 174.62 174.94 2ami s ILE 27 N -1.14 4.52 0.50 2.99 1.01 0.22 -4.79 121.20 124.52 2ami s ILE 27 Ca 0.21 1.83 -0.22 0.00 0.00 0.00 0.00 60.65 62.47 2ami s ILE 27 Cb -0.12 -4.18 -0.06 0.00 0.01 0.00 0.00 42.46 38.11 2ami s ILE 27 CO 0.12 -0.13 1.25 -0.62 0.00 0.00 0.00 174.94 175.56 2ami s ASP 28 N 1.48 5.74 0.27 3.58 -1.08 -1.26 -0.24 116.67 125.15 2ami s ASP 28 Ca 0.49 2.50 -0.05 0.00 -0.52 0.00 0.00 52.55 54.98 2ami s ASP 28 Cb -0.18 -2.62 0.53 0.00 -1.46 0.00 0.00 42.92 39.19 2ami s ASP 28 CO 0.11 -1.23 1.48 0.00 0.52 0.00 0.00 175.17 176.06 2ami n ALA 29 N -0.77 0.31 -0.16 3.66 0.00 -0.29 -0.23 120.51 123.03 2ami n ALA 29 Ca 0.09 1.03 -0.08 0.00 0.00 0.00 0.00 53.44 54.49 2ami n ALA 29 Cb 0.47 -0.66 0.01 0.00 0.00 0.00 0.00 19.45 19.27 2ami n ALA 29 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2ami h LYS 30 N 0.00 0.63 -0.75 0.00 1.57 -1.91 0.45 116.57 116.57 2ami h LYS 30 Ca 0.49 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 2ami h LYS 30 Cb 0.85 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.98 2ami h LYS 30 CO -0.95 0.45 0.48 0.93 -0.57 0.00 0.00 179.45 179.80 2ami h GLU 31 N 0.63 1.00 -0.62 3.15 5.08 -0.94 0.45 114.58 123.32 2ami h GLU 31 Ca 0.17 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2ami h GLU 31 Cb -0.02 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 2ami h GLU 31 CO -0.03 0.67 0.34 1.25 -1.00 0.00 0.00 179.01 180.24 2ami h LEU 32 N 1.02 0.78 -0.28 1.33 5.85 -0.41 0.21 115.31 123.82 2ami h LEU 32 Ca 0.27 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.91 2ami h LEU 32 Cb -0.09 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 2ami h LEU 32 CO -0.06 0.65 0.15 0.50 -0.34 0.00 0.00 178.44 179.34 2ami h LYS 33 N 0.84 0.30 -0.80 1.25 3.64 -0.27 0.11 116.57 121.65 2ami h LYS 33 Ca 0.22 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.64 2ami h LYS 33 Cb 0.05 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.74 2ami h LYS 33 CO -0.03 0.20 0.49 0.28 -2.27 0.00 0.00 179.45 178.11 2ami h VAL 34 N 0.31 1.04 0.34 2.00 2.07 -0.70 0.38 116.25 121.69 2ami h VAL 34 Ca 0.11 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2ami h VAL 34 Cb 0.02 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 2ami h VAL 34 CO -0.06 0.16 -0.26 0.00 0.02 0.00 0.00 177.57 177.43 2ami h ALA 35 N 1.38 -0.60 -0.40 1.67 0.00 0.48 0.14 119.26 121.93 2ami h ALA 35 Ca 0.34 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.20 2ami h ALA 35 Cb 0.15 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2ami h ALA 35 CO -0.16 -0.86 0.14 0.52 0.00 0.00 0.00 179.25 178.89 2ami h MET 36 N -0.61 0.30 -0.26 0.00 2.07 -0.64 0.21 114.93 116.00 2ami h MET 36 Ca -0.03 -0.02 0.06 0.00 -2.07 0.00 0.00 59.70 57.65 2ami h MET 36 Cb 0.53 -0.07 -0.08 0.00 -1.87 0.00 0.00 31.60 30.11 2ami h MET 36 CO -0.00 0.20 -0.34 -0.09 1.07 0.00 0.00 176.91 177.75 2ami h ARG 37 N 0.31 -0.33 -0.95 1.72 9.65 -0.67 0.40 114.38 124.50 2ami h ARG 37 Ca 0.19 0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.12 2ami h ARG 37 Cb 0.17 0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.77 2ami h ARG 37 CO -0.19 -0.22 0.63 0.00 2.80 0.00 0.00 179.97 182.99 2ami h ALA 38 N 0.54 1.37 0.00 2.80 0.00 0.06 0.74 119.26 124.77 2ami h ALA 38 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2ami h ALA 38 Cb 0.55 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2ami h ALA 38 CO -0.44 0.54 0.00 1.28 0.00 0.00 0.00 179.25 180.63 2ami n LEU 39 N -4.43 0.00 0.00 0.00 4.77 0.67 -4.84 117.00 113.17 2ami n LEU 39 Ca 0.12 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 2ami n LEU 39 Cb 0.08 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2ami n LEU 39 CO 0.35 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 2ami n GLY 40 N -0.44 0.84 3.83 -0.72 0.00 0.25 -5.05 105.19 103.90 2ami n GLY 40 Ca 0.04 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 2ami n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ami s PHE 41 N -2.00 2.89 -0.45 1.61 0.40 0.05 -4.99 117.98 115.49 2ami s PHE 41 Ca 0.00 1.05 -0.02 0.00 -0.60 0.00 0.00 56.93 57.36 2ami s PHE 41 Cb 0.00 -3.18 0.12 0.00 0.51 0.00 0.00 43.02 40.47 2ami s PHE 41 CO 0.00 -1.74 0.24 -1.21 0.70 0.00 0.00 175.22 173.21 2ami s GLU 42 N -5.25 2.08 -0.84 0.44 2.02 -1.26 -4.39 118.70 111.50 2ami s GLU 42 Ca 0.61 -1.98 -0.21 0.00 0.02 0.00 0.00 54.97 53.40 2ami s GLU 42 Cb -0.13 -3.59 -0.19 0.00 0.10 0.00 0.00 34.13 30.32 2ami s GLU 42 CO 0.53 -1.09 2.25 -2.30 0.02 0.00 0.00 175.26 174.68 2ami n PRO 43 N 4.32 0.35 -1.90 0.39 -0.02 -1.26 -4.85 135.00 132.02 2ami n PRO 43 Ca 0.00 -0.73 -0.23 0.00 -2.02 0.00 0.00 63.50 60.52 2ami n PRO 43 Cb 0.40 -2.99 -0.08 0.00 -0.02 0.00 0.00 33.50 30.82 2ami n PRO 43 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2ami s LYS 44 N 8.26 2.07 0.10 -0.52 -0.14 -1.26 -4.85 119.74 123.40 2ami s LYS 44 Ca 0.96 -0.72 -0.15 0.00 -1.36 0.00 0.00 55.97 54.70 2ami s LYS 44 Cb -0.28 -5.11 0.01 0.00 -1.68 0.00 0.00 37.83 30.77 2ami s LYS 44 CO 0.20 -4.36 0.85 1.17 -0.76 0.00 0.00 175.35 172.44 2ami n LYS 45 N 8.37 -0.21 0.09 1.68 4.81 -1.26 -0.67 118.16 130.96 2ami n LYS 45 Ca 0.43 0.83 -0.13 0.00 -0.87 0.00 0.00 58.31 58.57 2ami n LYS 45 Cb 0.46 -1.23 -0.08 0.00 0.02 0.00 0.00 35.03 34.21 2ami n LYS 45 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2ami h GLU 46 N 0.00 -0.16 -0.54 1.64 4.39 -1.99 0.84 114.58 118.76 2ami h GLU 46 Ca 0.11 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.83 2ami h GLU 46 Cb 0.25 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 2ami h GLU 46 CO -0.52 -0.00 0.35 0.93 -1.16 0.00 0.00 179.01 178.60 2ami h GLU 47 N -0.28 0.70 -0.03 2.33 3.07 -1.57 -0.30 114.58 118.50 2ami h GLU 47 Ca -0.02 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 58.84 2ami h GLU 47 Cb 0.22 -0.16 -0.05 0.00 -0.84 0.00 0.00 28.75 27.93 2ami h GLU 47 CO 0.03 0.46 -0.29 0.82 -1.40 0.00 0.00 179.01 178.63 2ami h ILE 48 N 0.72 0.36 -0.26 3.13 1.08 -0.65 0.82 117.51 122.70 2ami h ILE 48 Ca 0.20 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.70 2ami h ILE 48 Cb -0.07 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.01 2ami h ILE 48 CO -0.05 0.00 0.08 0.11 -0.69 0.00 0.00 178.15 177.60 2ami h LYS 49 N -0.41 0.19 0.21 2.37 1.79 -0.47 0.61 116.57 120.86 2ami h LYS 49 Ca 0.07 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.54 2ami h LYS 49 Cb 0.52 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.09 2ami h LYS 49 CO -0.27 0.13 -0.29 0.87 -1.08 0.00 0.00 179.45 178.81 2ami h LYS 50 N 0.20 -0.54 0.03 3.15 1.57 -0.74 0.35 116.57 120.57 2ami h LYS 50 Ca 0.12 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 2ami h LYS 50 Cb 0.09 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.48 2ami h LYS 50 CO -0.13 -0.36 -0.31 1.98 -0.57 0.00 0.00 179.45 180.05 2ami h MET 51 N -0.56 -0.46 -0.52 3.15 4.05 -0.59 0.73 114.93 120.72 2ami h MET 51 Ca 0.01 0.03 0.11 0.00 -0.28 0.00 0.00 59.70 59.56 2ami h MET 51 Cb 0.55 0.11 -0.10 0.00 -0.80 0.00 0.00 31.60 31.35 2ami h MET 51 CO -0.11 -0.31 -0.16 0.82 0.23 0.00 0.00 176.91 177.38 2ami h ILE 52 N -0.48 0.43 -0.23 1.77 2.04 -0.72 0.44 117.51 120.75 2ami h ILE 52 Ca 0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.93 2ami h ILE 52 Cb 0.56 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2ami h ILE 52 CO -0.25 0.00 0.10 0.28 0.00 0.00 0.00 178.15 178.28 2ami h SER 53 N -0.03 0.13 -0.80 1.72 0.02 -0.10 0.27 113.55 114.76 2ami h SER 53 Ca 0.25 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.26 2ami h SER 53 Cb 0.42 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.90 2ami h SER 53 CO -0.56 0.11 0.50 -0.33 -1.14 0.00 0.00 176.83 175.40 2ami h GLU 54 N 0.21 0.91 -0.05 3.45 5.08 0.23 -2.38 114.58 122.03 2ami h GLU 54 Ca 0.10 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.22 2ami h GLU 54 Cb 0.05 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 2ami h GLU 54 CO -0.09 0.60 -0.77 0.82 -1.00 0.00 0.00 179.01 178.58 2ami h ILE 55 N 0.94 1.40 -0.39 3.13 1.08 -0.58 -3.39 117.51 119.70 2ami h ILE 55 Ca 0.33 -2.25 -0.62 0.00 -0.39 0.00 0.00 64.86 61.94 2ami h ILE 55 Cb 0.09 2.20 -0.04 0.00 -3.07 0.00 0.00 36.82 36.00 2ami h ILE 55 CO -0.14 0.67 2.28 -0.67 -0.69 0.00 0.00 178.15 179.60 2ami n ASP 56 N -3.80 3.88 0.29 1.72 -0.08 0.93 -4.81 116.55 114.68 2ami n ASP 56 Ca -0.04 -2.82 0.18 0.00 -1.51 0.00 0.00 54.79 50.60 2ami n ASP 56 Cb 0.73 -1.62 0.94 0.00 2.34 0.00 0.00 41.12 43.51 2ami n ASP 56 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2ami h LYS 57 N 7.57 0.00 -0.25 -0.67 1.79 -1.76 0.36 116.57 123.60 2ami h LYS 57 Ca 0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.91 2ami h LYS 57 Cb 0.78 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 2ami h LYS 57 CO 1.62 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 179.59 2ami n ASP 58 N -3.25 2.66 -4.01 0.86 5.75 -1.26 -5.00 116.55 112.31 2ami n ASP 58 Ca -0.01 -1.82 -0.32 0.00 -0.01 0.00 0.00 54.79 52.64 2ami n ASP 58 Cb 0.29 -0.16 0.01 0.00 -1.03 0.00 0.00 41.12 40.22 2ami n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ami n GLY 59 N 0.66 -0.46 0.11 6.12 0.00 0.11 -4.87 105.19 106.86 2ami n GLY 59 Ca 0.11 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.43 2ami n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ami n SER 60 N -2.79 0.82 0.00 1.61 3.41 -1.26 -4.88 113.62 110.52 2ami n SER 60 Ca 0.02 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 2ami n SER 60 Cb 0.53 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 2ami n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ami n GLY 61 N 1.10 0.65 3.11 5.00 0.00 -1.26 -5.05 105.19 108.74 2ami n GLY 61 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 2ami n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ami s THR 62 N -2.05 0.35 -0.22 2.61 -4.23 -1.26 -1.14 115.64 109.70 2ami s THR 62 Ca 0.00 -1.78 -0.04 0.00 -1.18 0.00 0.00 61.69 58.69 2ami s THR 62 Cb 0.00 -1.48 -0.01 0.00 1.34 0.00 0.00 72.50 72.35 2ami s THR 62 CO 0.00 -0.92 -0.04 -0.63 -0.54 0.00 0.00 174.62 172.49 2ami s ILE 63 N -3.65 3.44 0.55 2.99 -1.09 0.66 -4.66 121.20 119.45 2ami s ILE 63 Ca 0.07 -0.47 -0.17 0.00 -2.23 0.00 0.00 60.65 57.85 2ami s ILE 63 Cb 0.06 -2.57 -0.06 0.00 -1.58 0.00 0.00 42.46 38.31 2ami s ILE 63 CO -0.08 0.42 1.03 -0.62 -1.23 0.00 0.00 174.94 174.46 2ami s ASP 64 N 1.45 6.16 0.26 3.58 2.15 -1.26 -0.61 116.67 128.40 2ami s ASP 64 Ca 0.05 1.74 -0.01 0.00 0.43 0.00 0.00 52.55 54.77 2ami s ASP 64 Cb -0.14 -2.53 0.56 0.00 -0.30 0.00 0.00 42.92 40.50 2ami s ASP 64 CO -0.03 -0.91 1.73 0.15 -0.17 0.00 0.00 175.17 175.95 2ami h PHE 65 N 0.77 0.62 -0.42 -5.34 3.57 -1.99 0.98 116.94 115.13 2ami h PHE 65 Ca -0.47 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.06 2ami h PHE 65 Cb 1.21 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 2ami h PHE 65 CO 0.60 0.07 0.25 0.93 -2.23 0.00 0.00 178.31 177.93 2ami h GLU 66 N 0.48 0.57 -0.27 1.11 5.08 -1.98 0.15 114.58 119.72 2ami h GLU 66 Ca 0.47 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 2ami h GLU 66 Cb 0.76 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2ami h GLU 66 CO -0.43 0.42 0.14 0.93 -1.00 0.00 0.00 179.01 179.07 2ami h GLU 67 N 0.55 0.39 -0.14 2.33 5.08 -1.50 0.54 114.58 121.83 2ami h GLU 67 Ca 0.15 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 2ami h GLU 67 Cb 0.00 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2ami h GLU 67 CO -0.03 0.37 -0.06 0.35 -1.00 0.00 0.00 179.01 178.64 2ami h PHE 68 N 0.32 -0.15 -0.60 4.33 3.57 -0.62 0.80 116.94 124.60 2ami h PHE 68 Ca 0.10 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.65 2ami h PHE 68 Cb 0.10 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 2ami h PHE 68 CO -0.02 -0.10 0.34 1.25 -2.23 0.00 0.00 178.31 177.54 2ami h LEU 69 N -0.05 0.52 -0.07 0.59 5.85 -0.49 0.98 115.31 122.64 2ami h LEU 69 Ca 0.08 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2ami h LEU 69 Cb 0.16 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2ami h LEU 69 CO -0.18 0.35 -0.02 0.74 -0.34 0.00 0.00 178.44 178.99 2ami h THR 70 N 0.65 0.92 -0.48 1.05 2.02 -0.37 0.12 112.91 116.82 2ami h THR 70 Ca 0.26 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.50 2ami h THR 70 Cb 0.11 0.92 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 2ami h THR 70 CO -0.14 0.00 0.15 -0.03 0.37 0.00 0.00 175.52 175.86 2ami h MET 71 N -0.01 0.30 0.30 6.66 1.85 -0.25 0.15 114.93 123.93 2ami h MET 71 Ca 0.03 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.11 2ami h MET 71 Cb 0.06 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.00 2ami h MET 71 CO -0.07 0.20 -0.32 0.52 -0.40 0.00 0.00 176.91 176.83 2ami h MET 72 N 0.31 -0.64 -0.98 0.39 2.07 -0.55 -2.85 114.93 112.68 2ami h MET 72 Ca 0.23 0.04 0.16 0.00 -2.07 0.00 0.00 59.70 58.06 2ami h MET 72 Cb 0.26 0.14 -0.09 0.00 -1.87 0.00 0.00 31.60 30.05 2ami h MET 72 CO -0.26 -0.42 0.61 1.15 1.07 0.00 0.00 176.91 179.06 2ami h THR 73 N -0.66 0.80 -0.86 2.22 2.02 0.03 0.19 112.91 116.66 2ami h THR 73 Ca -0.01 -0.28 0.07 0.00 0.77 0.00 0.00 66.41 66.95 2ami h THR 73 Cb 0.61 -0.09 -0.06 0.00 -1.74 0.00 0.00 68.15 66.88 2ami h THR 73 CO -0.07 0.15 0.56 0.00 0.37 0.00 0.00 175.52 176.52 2ami h ALA 74 N 1.60 1.57 0.00 6.16 0.00 -0.51 -3.00 119.26 125.08 2ami h ALA 74 Ca 0.52 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.37 2ami h ALA 74 Cb 0.75 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2ami h ALA 74 CO -0.30 0.30 -0.22 0.87 0.00 0.00 0.00 179.25 179.90 2ami h LYS 75 N 0.95 0.01 0.00 0.00 1.57 -0.81 -3.51 116.57 114.78 2ami h LYS 75 Ca 0.37 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 2ami h LYS 75 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2ami h LYS 75 CO -0.14 1.01 0.00 0.00 -0.57 0.00 0.00 179.45 179.75