#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ami n VAL 2 N 0.00-10.10 0.00 1.55 0.31 -1.26 -3.50 118.33 105.33 2ami n VAL 2 Ca 0.00 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 2ami n VAL 2 Cb 0.00 -6.90 0.00 0.00 -0.91 0.00 0.00 33.84 26.03 2ami n VAL 2 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ami n GLY 3 N -1.73 1.36 3.57 2.92 0.00 -1.26 -4.80 105.19 105.24 2ami n GLY 3 Ca -0.01 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 3.20 1.00 0.99 1.43 -1.23 -4.97 118.68 119.10 2ami s LEU 4 Ca 0.00 -1.04 -0.11 0.00 -1.03 0.00 0.00 54.13 51.94 2ami s LEU 4 Cb 0.00 -2.57 0.19 0.00 0.03 0.00 0.00 46.19 43.84 2ami s LEU 4 CO 0.00 -2.64 1.09 0.42 0.23 0.00 0.00 176.35 175.45 2ami s THR 5 N 9.56 2.24 0.22 5.49 -4.23 -1.26 -0.47 115.64 127.19 2ami s THR 5 Ca 0.67 0.08 -0.09 0.00 -1.18 0.00 0.00 61.69 61.17 2ami s THR 5 Cb -0.04 -2.25 0.20 0.00 1.34 0.00 0.00 72.50 71.75 2ami s THR 5 CO 0.02 -0.10 1.68 -0.33 -0.54 0.00 0.00 174.62 175.35 2ami h GLU 6 N -2.05 0.21 -0.72 3.99 4.39 -1.93 0.25 114.58 118.73 2ami h GLU 6 Ca -0.52 -0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.27 2ami h GLU 6 Cb 1.30 -0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 29.78 2ami h GLU 6 CO 0.48 0.14 -0.44 0.93 -1.16 0.00 0.00 179.01 178.97 2ami h GLU 7 N 0.22 -0.14 -0.66 2.33 3.07 -1.99 0.17 114.58 117.57 2ami h GLU 7 Ca 0.35 0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 59.14 2ami h GLU 7 Cb 0.56 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.48 2ami h GLU 7 CO -0.48 -0.10 0.10 1.96 -1.40 0.00 0.00 179.01 179.10 2ami h GLN 8 N -0.15 1.10 -0.91 2.33 4.20 -0.92 -0.45 115.11 120.30 2ami h GLN 8 Ca 0.22 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 2ami h GLN 8 Cb 0.55 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 2ami h GLN 8 CO -0.78 1.01 0.56 0.87 -0.67 0.00 0.00 178.83 179.82 2ami h LYS 9 N 1.03 1.24 0.02 1.46 1.57 0.09 0.15 116.57 122.13 2ami h LYS 9 Ca 0.20 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2ami h LYS 9 Cb 0.45 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2ami h LYS 9 CO 0.01 0.86 -0.10 1.96 -0.57 0.00 0.00 179.45 181.61 2ami h GLN 10 N 1.26 -0.18 -0.47 3.15 4.20 -0.14 0.86 115.11 123.79 2ami h GLN 10 Ca 0.33 0.01 0.08 0.00 0.06 0.00 0.00 58.65 59.13 2ami h GLN 10 Cb -0.07 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.68 2ami h GLN 10 CO -0.06 -0.12 0.05 0.93 -0.67 0.00 0.00 178.83 178.96 2ami h GLU 11 N -0.19 0.17 -0.45 1.46 5.08 -0.45 0.11 114.58 120.31 2ami h GLU 11 Ca 0.03 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2ami h GLU 11 Cb 0.22 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2ami h GLU 11 CO -0.08 0.11 0.24 0.82 -1.00 0.00 0.00 179.01 179.09 2ami h ILE 12 N 0.17 0.99 -0.37 3.13 2.04 -0.45 0.58 117.51 123.60 2ami h ILE 12 Ca 0.23 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.93 2ami h ILE 12 Cb 0.33 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2ami h ILE 12 CO -0.34 0.09 0.23 -0.09 0.00 0.00 0.00 178.15 178.04 2ami h ARG 13 N 0.47 0.49 0.07 2.37 9.65 0.17 0.14 114.38 127.75 2ami h ARG 13 Ca 0.19 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 59.05 2ami h ARG 13 Cb 0.08 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.53 2ami h ARG 13 CO -0.12 0.35 -0.13 0.93 2.80 0.00 0.00 179.97 183.80 2ami h GLU 14 N 0.49 -0.24 -0.22 0.20 5.08 -0.38 0.11 114.58 119.61 2ami h GLU 14 Ca 0.13 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 2ami h GLU 14 Cb -0.03 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 2ami h GLU 14 CO -0.03 -0.16 -0.07 0.00 -1.00 0.00 0.00 179.01 177.75 2ami h ALA 15 N 0.64 0.13 -0.14 3.43 0.00 -0.73 0.09 119.26 122.68 2ami h ALA 15 Ca 0.02 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.07 2ami h ALA 15 Cb 0.27 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 2ami h ALA 15 CO -0.07 -0.49 -0.32 0.35 0.00 0.00 0.00 179.25 178.72 2ami h PHE 16 N -0.02 -0.87 -0.29 0.00 3.57 -0.40 0.36 116.94 119.29 2ami h PHE 16 Ca 0.11 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.70 2ami h PHE 16 Cb 0.19 0.40 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 2ami h PHE 16 CO -0.25 -0.39 -0.01 0.22 -2.23 0.00 0.00 178.31 175.65 2ami h ASP 17 N -0.39 -0.14 0.01 0.41 3.58 -0.40 0.18 116.42 119.67 2ami h ASP 17 Ca 0.10 0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.64 2ami h ASP 17 Cb 0.54 0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.69 2ami h ASP 17 CO -0.36 -0.04 -0.16 0.25 -2.88 0.00 0.00 179.24 176.05 2ami h LEU 18 N 0.07 -0.48 -0.74 2.28 6.46 -0.48 -2.62 115.31 119.80 2ami h LEU 18 Ca 0.14 0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.97 2ami h LEU 18 Cb 0.19 0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.28 2ami h LEU 18 CO -0.25 -0.23 0.49 -0.26 -0.62 0.00 0.00 178.44 177.57 2ami h PHE 19 N -0.27 0.94 0.00 1.25 0.04 -0.50 -3.07 116.94 115.33 2ami h PHE 19 Ca 0.05 0.02 -0.58 0.00 2.80 0.00 0.00 57.97 60.26 2ami h PHE 19 Cb 0.34 -0.32 0.02 0.00 2.20 0.00 0.00 35.95 38.19 2ami h PHE 19 CO -0.21 0.60 2.89 -3.47 -0.60 0.00 0.00 178.31 177.51 2ami n ASP 20 N -4.56 4.85 0.23 2.17 2.03 0.58 -4.66 116.55 117.19 2ami n ASP 20 Ca 0.07 -2.57 0.18 0.00 0.52 0.00 0.00 54.79 52.99 2ami n ASP 20 Cb 0.02 -1.31 0.87 0.00 -0.72 0.00 0.00 41.12 39.98 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 3.74 0.37 0.00 5.18 1.35 -1.63 0.14 112.91 122.06 2ami h THR 21 Ca 0.57 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 66.38 2ami h THR 21 Cb 0.42 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 2ami h THR 21 CO 1.74 0.00 -0.21 -0.78 -0.25 0.00 0.00 175.52 176.03 2ami h ASP 22 N 0.00 0.00 0.00 5.36 3.58 -1.89 -3.47 116.42 119.99 2ami h ASP 22 Ca 0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2ami h ASP 22 Cb 0.48 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2ami h ASP 22 CO -0.00 0.21 0.00 0.61 -2.88 0.00 0.00 179.24 177.18 2ami n GLY 23 N 0.30 2.81 1.85 -0.78 0.00 0.50 -4.91 105.19 104.96 2ami n GLY 23 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 2ami n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ami n SER 24 N 0.00 5.61 -2.06 1.61 7.64 -1.26 -4.73 113.62 120.43 2ami n SER 24 Ca 0.00 -2.62 -0.12 0.00 1.01 0.00 0.00 58.87 57.14 2ami n SER 24 Cb 0.00 -1.23 -0.02 0.00 -1.01 0.00 0.00 64.21 61.94 2ami n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ami n GLY 25 N 1.61 0.08 3.18 0.23 0.00 -1.26 -4.92 105.19 104.11 2ami n GLY 25 Ca 0.25 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.40 -0.43 -0.45 2.61 -4.23 -1.26 -3.30 115.64 106.18 2ami s THR 26 Ca 0.00 0.19 -0.28 0.00 -1.18 0.00 0.00 61.69 60.41 2ami s THR 26 Cb 0.00 -0.57 0.03 0.00 1.34 0.00 0.00 72.50 73.30 2ami s THR 26 CO 0.00 0.08 1.10 -0.63 -0.54 0.00 0.00 174.62 174.63 2ami s ILE 27 N 2.25 4.29 0.55 2.99 1.01 0.21 -4.78 121.20 127.73 2ami s ILE 27 Ca -0.03 1.24 -0.21 0.00 0.00 0.00 0.00 60.65 61.65 2ami s ILE 27 Cb -0.11 -4.55 -0.04 0.00 0.01 0.00 0.00 42.46 37.76 2ami s ILE 27 CO -0.11 -0.90 1.29 -0.62 0.00 0.00 0.00 174.94 174.59 2ami s ASP 28 N 2.31 5.31 0.29 3.58 -1.08 -1.26 -0.56 116.67 125.26 2ami s ASP 28 Ca 0.46 2.59 0.01 0.00 -0.52 0.00 0.00 52.55 55.09 2ami s ASP 28 Cb -0.08 -2.62 0.70 0.00 -1.46 0.00 0.00 42.92 39.46 2ami s ASP 28 CO 0.28 -1.53 1.48 0.00 0.52 0.00 0.00 175.17 175.93 2ami n ALA 29 N -1.17 0.46 -0.05 3.66 0.00 0.34 -0.19 120.51 123.56 2ami n ALA 29 Ca 0.11 1.01 -0.10 0.00 0.00 0.00 0.00 53.44 54.47 2ami n ALA 29 Cb 0.47 -0.73 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 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 0.24 -0.79 0.00 1.57 -1.91 0.12 116.57 115.80 2ami h LYS 30 Ca 0.56 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.32 2ami h LYS 30 Cb 1.15 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.37 2ami h LYS 30 CO -0.89 0.16 0.46 0.93 -0.57 0.00 0.00 179.45 179.53 2ami h GLU 31 N 0.25 1.09 -0.46 3.15 5.08 -0.91 0.19 114.58 122.97 2ami h GLU 31 Ca 0.08 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2ami h GLU 31 Cb 0.00 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 2ami h GLU 31 CO -0.04 0.78 0.17 1.25 -1.00 0.00 0.00 179.01 180.18 2ami h LEU 32 N 1.09 0.64 -0.24 1.33 5.85 -0.53 0.99 115.31 124.43 2ami h LEU 32 Ca 0.28 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.86 2ami h LEU 32 Cb -0.01 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 2ami h LEU 32 CO -0.05 0.65 0.01 0.50 -0.34 0.00 0.00 178.44 179.21 2ami h LYS 33 N 0.60 0.09 -0.35 1.25 3.64 -0.32 0.12 116.57 121.60 2ami h LYS 33 Ca 0.15 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.59 2ami h LYS 33 Cb 0.21 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.96 2ami h LYS 33 CO -0.01 0.06 -0.01 0.28 -2.27 0.00 0.00 179.45 177.50 2ami h VAL 34 N 0.09 0.73 0.12 2.00 2.07 -0.69 0.65 116.25 121.22 2ami h VAL 34 Ca 0.12 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.62 2ami h VAL 34 Cb 0.14 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 2ami h VAL 34 CO -0.19 0.02 -0.37 0.00 0.02 0.00 0.00 177.57 177.05 2ami h ALA 35 N 1.31 -0.64 -0.68 1.67 0.00 -0.09 0.57 119.26 121.40 2ami h ALA 35 Ca 0.17 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.09 2ami h ALA 35 Cb 0.24 0.61 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 2ami h ALA 35 CO -0.29 -0.92 0.37 0.52 0.00 0.00 0.00 179.25 178.92 2ami h MET 36 N -0.60 0.64 0.04 0.00 2.07 -0.53 0.19 114.93 116.75 2ami h MET 36 Ca 0.03 -0.04 0.01 0.00 -2.07 0.00 0.00 59.70 57.63 2ami h MET 36 Cb 0.63 -0.14 -0.02 0.00 -1.87 0.00 0.00 31.60 30.20 2ami h MET 36 CO -0.21 0.42 -0.10 -0.09 1.07 0.00 0.00 176.91 178.00 2ami h ARG 37 N 0.66 -0.18 -0.89 1.72 9.65 -0.43 0.62 114.38 125.53 2ami h ARG 37 Ca 0.32 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.27 2ami h ARG 37 Cb 0.25 0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 28.80 2ami h ARG 37 CO -0.21 -0.12 0.55 0.00 2.80 0.00 0.00 179.97 182.99 2ami h ALA 38 N 0.75 1.23 0.00 2.80 0.00 -0.22 0.94 119.26 124.76 2ami h ALA 38 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2ami h ALA 38 Cb 0.21 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2ami h ALA 38 CO -0.06 0.29 0.00 1.28 0.00 0.00 0.00 179.25 180.76 2ami n LEU 39 N -4.61 0.12 0.00 0.00 4.77 0.62 -4.88 117.00 113.03 2ami n LEU 39 Ca 0.13 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 2ami n LEU 39 Cb 0.19 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 2ami n LEU 39 CO 0.31 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.60 2ami n GLY 40 N -0.36 0.92 3.79 -0.72 0.00 0.32 -5.05 105.19 104.10 2ami n GLY 40 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.01 2.71 -0.70 1.61 0.40 0.09 -4.98 117.98 115.10 2ami s PHE 41 Ca 0.00 1.14 -0.11 0.00 -0.60 0.00 0.00 56.93 57.36 2ami s PHE 41 Cb 0.00 -3.16 0.18 0.00 0.51 0.00 0.00 43.02 40.56 2ami s PHE 41 CO 0.00 -1.93 0.60 -1.21 0.70 0.00 0.00 175.22 173.38 2ami s GLU 42 N -5.13 3.13 -1.20 0.44 2.02 -1.26 -4.41 118.70 112.29 2ami s GLU 42 Ca 0.61 -2.31 -0.20 0.00 0.02 0.00 0.00 54.97 53.09 2ami s GLU 42 Cb -0.15 -4.17 -0.03 0.00 0.10 0.00 0.00 34.13 29.88 2ami s GLU 42 CO 0.55 -1.25 1.90 -0.35 0.02 0.00 0.00 175.26 176.13 2ami n PRO 43 N 4.10 2.30 -1.59 0.39 -0.04 -1.26 -4.89 135.00 134.00 2ami n PRO 43 Ca 0.07 -2.67 -0.30 0.00 -0.04 0.00 0.00 63.50 60.55 2ami n PRO 43 Cb 0.43 -3.47 -0.04 0.00 -0.04 0.00 0.00 33.50 30.38 2ami n PRO 43 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2ami s LYS 44 N 5.04 2.00 0.15 0.54 1.02 -1.26 -4.85 119.74 122.38 2ami s LYS 44 Ca 0.59 1.12 -0.07 0.00 0.02 0.00 0.00 55.97 57.63 2ami s LYS 44 Cb 0.05 -4.63 0.21 0.00 -0.52 0.00 0.00 37.83 32.94 2ami s LYS 44 CO 0.09 -3.55 0.92 1.17 -0.92 0.00 0.00 175.35 173.05 2ami n LYS 45 N 8.97 -0.09 0.30 1.68 4.81 -1.26 -0.82 118.16 131.75 2ami n LYS 45 Ca 0.39 0.91 -0.17 0.00 -0.87 0.00 0.00 58.31 58.57 2ami n LYS 45 Cb 0.52 -1.36 -0.08 0.00 0.02 0.00 0.00 35.03 34.13 2ami n LYS 45 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 2ami h GLU 46 N 0.00 -0.76 -0.62 1.64 9.09 -1.99 0.17 114.58 122.11 2ami h GLU 46 Ca 0.24 0.05 -0.03 0.00 0.05 0.00 0.00 59.36 59.68 2ami h GLU 46 Cb 0.39 0.17 -0.03 0.00 -1.65 0.00 0.00 28.75 27.64 2ami h GLU 46 CO -0.60 -0.51 0.28 0.93 0.05 0.00 0.00 179.01 179.16 2ami h GLU 47 N -0.79 0.90 -0.15 1.06 3.07 -1.37 -1.41 114.58 115.88 2ami h GLU 47 Ca -0.06 -0.14 0.02 0.00 -0.50 0.00 0.00 59.36 58.68 2ami h GLU 47 Cb 0.65 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 2ami h GLU 47 CO 0.06 0.74 0.03 0.82 -1.40 0.00 0.00 179.01 179.26 2ami h ILE 48 N 0.85 0.93 -0.26 3.13 1.08 -0.86 0.59 117.51 122.96 2ami h ILE 48 Ca 0.21 -0.03 0.03 0.00 -0.39 0.00 0.00 64.86 64.68 2ami h ILE 48 Cb 0.15 0.83 -0.03 0.00 -3.07 0.00 0.00 36.82 34.70 2ami h ILE 48 CO -0.02 0.02 0.08 0.50 -0.69 0.00 0.00 178.15 178.03 2ami h LYS 49 N 0.09 0.19 0.21 2.37 3.64 -0.44 0.11 116.57 122.73 2ami h LYS 49 Ca 0.07 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2ami h LYS 49 Cb 0.06 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 2ami h LYS 49 CO -0.09 0.12 -0.41 -0.22 -2.27 0.00 0.00 179.45 176.58 2ami h LYS 50 N 0.19 -0.67 0.02 1.90 3.11 -0.81 0.69 116.57 121.00 2ami h LYS 50 Ca 0.12 0.05 0.03 0.00 -2.81 0.00 0.00 60.65 58.03 2ami h LYS 50 Cb 0.09 0.15 -0.04 0.00 -1.00 0.00 0.00 32.23 31.43 2ami h LYS 50 CO -0.13 -0.45 -0.25 1.98 -2.81 0.00 0.00 179.45 177.79 2ami h MET 51 N -0.70 -0.38 -0.63 1.90 4.05 -0.68 -0.48 114.93 118.01 2ami h MET 51 Ca 0.00 0.03 0.13 0.00 -0.28 0.00 0.00 59.70 59.58 2ami h MET 51 Cb 0.69 0.09 -0.10 0.00 -0.80 0.00 0.00 31.60 31.48 2ami h MET 51 CO -0.18 -0.26 0.08 0.82 0.23 0.00 0.00 176.91 177.60 2ami h ILE 52 N -0.40 0.55 -0.67 1.77 2.04 -0.61 -0.19 117.51 119.99 2ami h ILE 52 Ca 0.06 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2ami h ILE 52 Cb 0.47 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2ami h ILE 52 CO -0.21 0.04 0.34 0.28 0.00 0.00 0.00 178.15 178.59 2ami h SER 53 N 0.19 0.87 -0.32 1.72 0.02 0.03 0.33 113.55 116.40 2ami h SER 53 Ca 0.33 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.17 2ami h SER 53 Cb 0.53 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 2ami h SER 53 CO -0.48 0.74 0.19 -0.33 -1.14 0.00 0.00 176.83 175.81 2ami h GLU 54 N 0.93 0.37 -0.13 3.45 4.39 0.15 -3.03 114.58 120.71 2ami h GLU 54 Ca 0.23 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.75 2ami h GLU 54 Cb 0.10 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2ami h GLU 54 CO -0.03 0.25 -0.58 0.82 -1.16 0.00 0.00 179.01 178.30 2ami h ILE 55 N 0.38 1.35 -2.03 3.13 1.08 -0.70 -3.40 117.51 117.33 2ami h ILE 55 Ca 0.12 -1.89 -0.64 0.00 -0.39 0.00 0.00 64.86 62.06 2ami h ILE 55 Cb -0.01 1.89 -0.14 0.00 -3.07 0.00 0.00 36.82 35.49 2ami h ILE 55 CO -0.05 0.57 1.02 -0.62 -0.69 0.00 0.00 178.15 178.38 2ami s ASP 56 N -6.92 6.48 0.63 1.72 2.15 0.11 -4.87 116.67 115.97 2ami s ASP 56 Ca -0.06 -1.57 0.31 0.00 0.43 0.00 0.00 52.55 51.66 2ami s ASP 56 Cb 0.11 -2.47 1.67 0.00 -0.30 0.00 0.00 42.92 41.94 2ami s ASP 56 CO 0.82 -1.32 2.00 0.50 -0.17 0.00 0.00 175.17 177.00 2ami h LYS 57 N 9.35 0.00 0.00 4.34 1.63 -1.78 0.47 116.57 130.58 2ami h LYS 57 Ca 0.07 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 2ami h LYS 57 Cb 1.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.66 2ami h LYS 57 CO 1.23 0.00 -0.91 -0.25 -3.45 0.00 0.00 179.45 176.08 2ami n ASP 58 N -3.36 0.63 -2.27 4.20 8.00 -1.26 -4.97 116.55 117.51 2ami n ASP 58 Ca 0.01 -0.15 -0.16 0.00 0.71 0.00 0.00 54.79 55.20 2ami n ASP 58 Cb 0.41 0.63 -0.02 0.00 -0.02 0.00 0.00 41.12 42.12 2ami n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ami n GLY 59 N 1.37 -0.19 0.33 0.44 0.00 0.15 -4.86 105.19 102.43 2ami n GLY 59 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.72 1.21 -0.44 1.61 3.41 -1.26 -4.93 113.62 111.50 2ami n SER 60 Ca -0.18 -1.11 -0.00 0.00 -0.26 0.00 0.00 58.87 57.32 2ami n SER 60 Cb 0.62 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 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 1.29 0.85 2.78 5.00 0.00 -1.26 -4.98 105.19 108.87 2ami n GLY 61 Ca 0.14 -0.71 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.84 -0.07 -0.45 2.61 -4.23 -1.26 -0.51 115.64 108.90 2ami s THR 62 Ca 0.00 0.24 -0.18 0.00 -1.18 0.00 0.00 61.69 60.57 2ami s THR 62 Cb -0.00 -0.11 0.03 0.00 1.34 0.00 0.00 72.50 73.76 2ami s THR 62 CO 0.00 0.10 0.52 -0.63 -0.54 0.00 0.00 174.62 174.08 2ami s ILE 63 N 1.24 4.99 0.75 2.99 -1.09 0.28 -4.66 121.20 125.70 2ami s ILE 63 Ca -0.07 -0.32 -0.11 0.00 -2.23 0.00 0.00 60.65 57.92 2ami s ILE 63 Cb -0.13 -4.14 0.04 0.00 -1.58 0.00 0.00 42.46 36.66 2ami s ILE 63 CO -0.03 -0.56 1.09 -0.62 -1.23 0.00 0.00 174.94 173.59 2ami s ASP 64 N 2.09 4.71 0.16 3.58 -1.08 -1.26 -0.62 116.67 124.25 2ami s ASP 64 Ca 0.15 1.81 -0.19 0.00 -0.52 0.00 0.00 52.55 53.79 2ami s ASP 64 Cb -0.17 -2.52 0.08 0.00 -1.46 0.00 0.00 42.92 38.85 2ami s ASP 64 CO 0.14 -1.90 1.65 0.15 0.52 0.00 0.00 175.17 175.73 2ami h PHE 65 N -0.94 -0.40 -0.57 -5.34 3.57 -1.97 0.53 116.94 111.83 2ami h PHE 65 Ca -0.44 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.19 2ami h PHE 65 Cb 1.23 0.23 -0.07 0.00 2.79 0.00 0.00 35.95 40.13 2ami h PHE 65 CO 0.58 -0.24 0.18 0.93 -2.23 0.00 0.00 178.31 177.53 2ami h GLU 66 N -0.10 0.33 -0.20 1.11 3.07 -1.93 0.14 114.58 117.01 2ami h GLU 66 Ca 0.18 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.01 2ami h GLU 66 Cb 0.38 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 2ami h GLU 66 CO -0.43 0.22 0.10 0.93 -1.40 0.00 0.00 179.01 178.43 2ami h GLU 67 N 0.34 0.29 -0.01 2.33 5.08 -1.62 0.41 114.58 121.41 2ami h GLU 67 Ca 0.29 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.63 2ami h GLU 67 Cb 0.36 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 2ami h GLU 67 CO -0.31 0.32 -0.21 0.35 -1.00 0.00 0.00 179.01 178.16 2ami h PHE 68 N 0.20 -0.55 -0.47 4.33 3.57 -0.28 0.71 116.94 124.45 2ami h PHE 68 Ca 0.07 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.65 2ami h PHE 68 Cb 0.13 0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.05 2ami h PHE 68 CO -0.02 -0.29 0.15 1.25 -2.23 0.00 0.00 178.31 177.16 2ami h LEU 69 N -0.33 0.13 -0.15 0.59 5.85 -0.54 0.89 115.31 121.76 2ami h LEU 69 Ca 0.06 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.87 2ami h LEU 69 Cb 0.41 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2ami h LEU 69 CO -0.20 0.10 -0.01 0.74 -0.34 0.00 0.00 178.44 178.73 2ami h THR 70 N 0.31 0.88 -0.03 1.05 2.02 -0.45 0.10 112.91 116.79 2ami h THR 70 Ca 0.23 -0.01 0.03 0.00 0.77 0.00 0.00 66.41 67.43 2ami h THR 70 Cb 0.25 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 2ami h THR 70 CO -0.25 0.01 -0.18 -0.03 0.37 0.00 0.00 175.52 175.43 2ami h MET 71 N 0.03 -0.28 -0.26 6.66 1.85 -0.14 0.14 114.93 122.94 2ami h MET 71 Ca 0.07 0.02 0.06 0.00 -0.61 0.00 0.00 59.70 59.24 2ami h MET 71 Cb 0.09 0.06 -0.06 0.00 0.43 0.00 0.00 31.60 32.13 2ami h MET 71 CO -0.13 -0.18 -0.12 0.52 -0.40 0.00 0.00 176.91 176.60 2ami h MET 72 N -0.29 -0.07 -0.47 0.39 2.07 -0.58 -0.05 114.93 115.93 2ami h MET 72 Ca 0.06 0.00 0.07 0.00 -2.07 0.00 0.00 59.70 57.77 2ami h MET 72 Cb 0.37 0.02 -0.06 0.00 -1.87 0.00 0.00 31.60 30.06 2ami h MET 72 CO -0.19 -0.05 0.14 1.15 1.07 0.00 0.00 176.91 179.03 2ami h THR 73 N -0.08 0.80 -0.75 2.22 2.02 -0.30 0.11 112.91 116.94 2ami h THR 73 Ca 0.14 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.22 2ami h THR 73 Cb 0.28 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 2ami h THR 73 CO -0.31 0.05 0.49 0.00 0.37 0.00 0.00 175.52 176.12 2ami h ALA 74 N 1.33 0.95 -0.06 6.16 0.00 -0.03 -2.64 119.26 124.98 2ami h ALA 74 Ca 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2ami h ALA 74 Cb 0.26 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2ami h ALA 74 CO -0.26 0.37 0.02 0.87 0.00 0.00 0.00 179.25 180.25 2ami h LYS 75 N 1.02 0.09 0.00 0.00 1.57 -0.35 -3.51 116.57 115.38 2ami h LYS 75 Ca 0.27 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2ami h LYS 75 Cb -0.11 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.19 2ami h LYS 75 CO -0.06 0.28 0.00 0.00 -0.57 0.00 0.00 179.45 179.10