#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 2.82 -1.25 1.55 0.24 -1.26 -4.78 118.33 115.65 2ami n VAL 2 Ca 0.00 -1.49 -0.37 0.00 -2.04 0.00 0.00 64.34 60.44 2ami n VAL 2 Cb 0.00 -2.05 -0.03 0.00 -1.47 0.00 0.00 33.84 30.30 2ami n VAL 2 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ami n GLY 3 N 2.81 3.57 3.26 7.63 0.00 -1.26 -4.85 105.19 116.34 2ami n GLY 3 Ca 0.44 -1.31 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 2ami n GLY 3 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ami n LEU 4 N 5.53 4.51 -4.65 0.99 4.77 -1.26 -4.82 117.00 122.06 2ami n LEU 4 Ca 0.55 -3.41 -0.30 0.00 -0.03 0.00 0.00 56.01 52.82 2ami n LEU 4 Cb 0.30 -1.52 0.17 0.00 -2.33 0.00 0.00 43.42 40.04 2ami n LEU 4 CO 0.89 -0.39 0.63 0.42 -1.33 0.00 0.00 177.39 177.61 2ami s THR 5 N 6.20 2.39 0.38 -5.08 -4.23 -1.26 -4.78 115.64 109.26 2ami s THR 5 Ca 0.58 0.13 0.10 0.00 -1.18 0.00 0.00 61.69 61.31 2ami s THR 5 Cb 0.08 -2.39 0.32 0.00 1.34 0.00 0.00 72.50 71.85 2ami s THR 5 CO 0.08 -0.17 1.92 -0.33 -0.54 0.00 0.00 174.62 175.59 2ami h GLU 6 N -1.88 0.60 -0.22 3.99 3.07 -1.99 0.31 114.58 118.47 2ami h GLU 6 Ca -0.51 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.25 2ami h GLU 6 Cb 1.29 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 29.06 2ami h GLU 6 CO 0.50 0.40 -0.14 0.93 -1.40 0.00 0.00 179.01 179.30 2ami h GLU 7 N 0.62 0.48 -0.26 2.33 3.07 -1.97 0.81 114.58 119.67 2ami h GLU 7 Ca 0.36 -0.23 0.05 0.00 -0.50 0.00 0.00 59.36 59.05 2ami h GLU 7 Cb 0.57 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.42 2ami h GLU 7 CO -0.14 0.78 -0.04 1.96 -1.40 0.00 0.00 179.01 180.17 2ami h GLN 8 N 0.18 0.03 -0.35 2.33 7.50 -1.74 0.75 115.11 123.81 2ami h GLN 8 Ca 0.04 -0.00 0.03 0.00 0.50 0.00 0.00 58.65 59.22 2ami h GLN 8 Cb 0.66 -0.01 -0.03 0.00 0.05 0.00 0.00 27.48 28.15 2ami h GLN 8 CO 0.04 0.02 0.15 0.87 -1.50 0.00 0.00 178.83 178.41 2ami h LYS 9 N 0.03 0.31 0.28 1.46 1.57 -0.74 0.45 116.57 119.93 2ami h LYS 9 Ca 0.12 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2ami h LYS 9 Cb 0.18 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 2ami h LYS 9 CO -0.25 0.21 -0.50 1.96 -0.57 0.00 0.00 179.45 180.30 2ami h GLN 10 N 0.32 -0.82 -0.57 3.15 4.20 -0.55 0.46 115.11 121.31 2ami h GLN 10 Ca 0.15 0.06 0.11 0.00 0.06 0.00 0.00 58.65 59.03 2ami h GLN 10 Cb 0.09 0.19 -0.11 0.00 0.30 0.00 0.00 27.48 27.94 2ami h GLN 10 CO -0.13 -0.54 -0.17 0.93 -0.67 0.00 0.00 178.83 178.25 2ami h GLU 11 N -0.85 -0.03 -0.50 1.46 5.08 -0.43 0.18 114.58 119.49 2ami h GLU 11 Ca -0.03 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2ami h GLU 11 Cb 0.80 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 2ami h GLU 11 CO -0.19 -0.02 0.33 0.82 -1.00 0.00 0.00 179.01 178.95 2ami h ILE 12 N -0.03 1.12 -0.43 3.13 2.04 -0.70 0.34 117.51 122.99 2ami h ILE 12 Ca 0.27 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.91 2ami h ILE 12 Cb 0.45 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2ami h ILE 12 CO -0.60 0.12 0.27 -0.09 0.00 0.00 0.00 178.15 177.85 2ami h ARG 13 N 0.67 0.53 -0.04 2.37 1.12 0.97 0.10 114.38 120.10 2ami h ARG 13 Ca 0.19 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.03 2ami h ARG 13 Cb -0.07 -0.12 -0.00 0.00 -0.01 0.00 0.00 29.97 29.77 2ami h ARG 13 CO -0.05 0.35 0.02 0.93 -3.11 0.00 0.00 179.97 178.11 2ami h GLU 14 N 0.55 0.04 -0.39 0.20 3.07 -0.30 0.15 114.58 117.90 2ami h GLU 14 Ca 0.16 -0.00 0.06 0.00 -0.50 0.00 0.00 59.36 59.08 2ami h GLU 14 Cb -0.03 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 27.81 2ami h GLU 14 CO -0.05 0.03 0.07 0.00 -1.40 0.00 0.00 179.01 177.66 2ami h ALA 15 N 1.02 0.42 -0.11 3.43 0.00 -0.74 0.38 119.26 123.67 2ami h ALA 15 Ca 0.02 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2ami h ALA 15 Cb 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2ami h ALA 15 CO -0.01 -0.33 -0.23 0.35 0.00 0.00 0.00 179.25 179.03 2ami h PHE 16 N 0.20 -0.61 -0.22 0.00 3.57 -0.38 -0.12 116.94 119.39 2ami h PHE 16 Ca 0.19 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.77 2ami h PHE 16 Cb 0.23 0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.21 2ami h PHE 16 CO -0.20 -0.31 -0.10 -0.44 -2.23 0.00 0.00 178.31 175.02 2ami h ASP 17 N -0.30 -0.34 0.06 0.41 3.32 -0.17 0.16 116.42 119.56 2ami h ASP 17 Ca 0.09 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.25 2ami h ASP 17 Cb 0.44 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 2ami h ASP 17 CO -0.28 -0.13 -0.19 0.25 -1.72 0.00 0.00 179.24 177.17 2ami h LEU 18 N -0.08 -0.53 -1.22 1.55 6.46 -0.55 -2.40 115.31 118.55 2ami h LEU 18 Ca 0.12 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 2ami h LEU 18 Cb 0.25 0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 2ami h LEU 18 CO -0.27 -0.26 0.37 -0.26 -0.62 0.00 0.00 178.44 177.40 2ami h PHE 19 N -0.34 0.88 0.00 1.25 0.04 -0.61 -2.88 116.94 115.29 2ami h PHE 19 Ca 0.04 -0.01 -0.50 0.00 2.80 0.00 0.00 57.97 60.30 2ami h PHE 19 Cb 0.38 -0.29 0.02 0.00 2.20 0.00 0.00 35.95 38.26 2ami h PHE 19 CO -0.20 0.61 3.04 -3.47 -0.60 0.00 0.00 178.31 177.69 2ami n ASP 20 N -4.38 6.12 -0.18 2.17 2.03 0.54 -4.61 116.55 118.24 2ami n ASP 20 Ca 0.06 -2.43 0.17 0.00 0.52 0.00 0.00 54.79 53.11 2ami n ASP 20 Cb 0.09 -1.27 0.52 0.00 -0.72 0.00 0.00 41.12 39.74 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 3.35 0.76 0.00 5.18 1.35 -1.61 0.99 112.91 122.93 2ami h THR 21 Ca 0.62 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 66.35 2ami h THR 21 Cb 0.23 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 66.99 2ami h THR 21 CO 1.59 0.07 0.00 0.47 -0.25 0.00 0.00 175.52 177.41 2ami n ASP 22 N -4.48 0.00 -3.18 5.36 8.00 -1.26 -4.89 116.55 116.11 2ami n ASP 22 Ca 0.15 -1.15 -0.20 0.00 0.71 0.00 0.00 54.79 54.30 2ami n ASP 22 Cb 0.57 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.67 2ami n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ami n GLY 23 N 0.37 -0.48 0.90 0.44 0.00 0.34 -4.81 105.19 101.95 2ami n GLY 23 Ca 0.08 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.12 2.63 -1.38 1.61 7.64 -1.26 -4.89 113.62 115.85 2ami n SER 24 Ca -0.03 -1.97 -0.17 0.00 1.01 0.00 0.00 58.87 57.72 2ami n SER 24 Cb 0.54 -0.30 -0.07 0.00 -1.01 0.00 0.00 64.21 63.37 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 1.30 1.60 3.58 0.23 0.00 -1.26 -4.91 105.19 105.74 2ami n GLY 25 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.42 -0.00 -0.35 2.61 -4.23 -1.26 -4.27 115.64 105.71 2ami s THR 26 Ca 0.00 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.29 2ami s THR 26 Cb 0.00 -0.94 0.01 0.00 1.34 0.00 0.00 72.50 72.91 2ami s THR 26 CO 0.00 0.00 0.75 -0.63 -0.54 0.00 0.00 174.62 174.20 2ami s ILE 27 N 0.78 4.78 0.52 2.99 1.01 0.11 -4.77 121.20 126.62 2ami s ILE 27 Ca -0.03 0.86 -0.22 0.00 0.00 0.00 0.00 60.65 61.26 2ami s ILE 27 Cb -0.05 -4.16 -0.06 0.00 0.01 0.00 0.00 42.46 38.20 2ami s ILE 27 CO -0.06 -0.37 1.31 -0.62 0.00 0.00 0.00 174.94 175.21 2ami s ASP 28 N 1.79 5.52 0.32 3.58 -1.08 -1.26 0.11 116.67 125.66 2ami s ASP 28 Ca 0.30 2.66 0.05 0.00 -0.52 0.00 0.00 52.55 55.04 2ami s ASP 28 Cb -0.14 -2.63 0.86 0.00 -1.46 0.00 0.00 42.92 39.56 2ami s ASP 28 CO 0.16 -1.39 1.56 0.00 0.52 0.00 0.00 175.17 176.02 2ami n ALA 29 N -0.84 0.60 -0.11 3.66 0.00 -0.42 -0.02 120.51 123.38 2ami n ALA 29 Ca 0.09 1.06 -0.08 0.00 0.00 0.00 0.00 53.44 54.51 2ami n ALA 29 Cb 0.46 -0.82 -0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 0.44 -0.81 0.00 1.57 -1.90 0.83 116.57 116.69 2ami h LYS 30 Ca 0.65 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.39 2ami h LYS 30 Cb 1.41 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.59 2ami h LYS 30 CO -0.91 0.29 0.47 0.93 -0.57 0.00 0.00 179.45 179.66 2ami h GLU 31 N 0.45 1.11 -0.59 3.15 5.08 -0.78 0.23 114.58 123.22 2ami h GLU 31 Ca 0.14 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2ami h GLU 31 Cb -0.02 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 28.97 2ami h GLU 31 CO -0.05 0.79 0.30 1.25 -1.00 0.00 0.00 179.01 180.29 2ami h LEU 32 N 1.12 0.77 -0.43 1.33 5.85 -0.18 0.17 115.31 123.95 2ami h LEU 32 Ca 0.29 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.92 2ami h LEU 32 Cb -0.02 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 2ami h LEU 32 CO -0.05 0.67 0.24 0.50 -0.34 0.00 0.00 178.44 179.46 2ami h LYS 33 N 0.81 0.47 -0.50 1.25 3.64 -0.03 0.12 116.57 122.32 2ami h LYS 33 Ca 0.21 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 2ami h LYS 33 Cb 0.10 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 2ami h LYS 33 CO -0.03 0.31 0.25 0.28 -2.27 0.00 0.00 179.45 177.99 2ami h VAL 34 N 0.48 0.96 -0.05 2.00 2.07 -0.67 0.96 116.25 122.01 2ami h VAL 34 Ca 0.17 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.56 2ami h VAL 34 Cb 0.04 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 2ami h VAL 34 CO -0.10 0.09 -0.18 0.00 0.02 0.00 0.00 177.57 177.41 2ami h ALA 35 N 1.27 -0.18 -0.80 1.67 0.00 0.11 0.10 119.26 121.43 2ami h ALA 35 Ca 0.22 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2ami h ALA 35 Cb 0.12 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2ami h ALA 35 CO -0.15 -0.66 0.52 0.52 0.00 0.00 0.00 179.25 179.48 2ami h MET 36 N -0.26 0.99 -0.25 0.00 2.07 -0.52 0.22 114.93 117.17 2ami h MET 36 Ca 0.07 -0.06 0.05 0.00 -2.07 0.00 0.00 59.70 57.69 2ami h MET 36 Cb 0.36 -0.22 -0.05 0.00 -1.87 0.00 0.00 31.60 29.82 2ami h MET 36 CO -0.20 0.65 -0.04 -0.09 1.07 0.00 0.00 176.91 178.30 2ami h ARG 37 N 1.02 0.02 -0.84 1.72 9.65 -0.27 0.44 114.38 126.12 2ami h ARG 37 Ca 0.31 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.19 2ami h ARG 37 Cb -0.02 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.51 2ami h ARG 37 CO -0.10 0.02 0.50 0.00 2.80 0.00 0.00 179.97 183.19 2ami h ALA 38 N 1.24 1.31 0.00 2.80 0.00 0.24 0.39 119.26 125.25 2ami h ALA 38 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2ami h ALA 38 Cb 0.18 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2ami h ALA 38 CO -0.24 0.59 0.00 1.28 0.00 0.00 0.00 179.25 180.88 2ami n LEU 39 N -4.37 0.00 -0.57 0.00 4.77 0.68 -4.86 117.00 112.64 2ami n LEU 39 Ca 0.09 0.12 -0.06 0.00 -0.03 0.00 0.00 56.01 56.14 2ami n LEU 39 Cb 0.06 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 2ami n LEU 39 CO 0.38 -0.07 -0.07 0.61 -1.33 0.00 0.00 177.39 176.91 2ami n GLY 40 N -0.13 0.45 3.89 -0.72 0.00 0.13 -5.04 105.19 103.77 2ami n GLY 40 Ca 0.09 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.26 3.25 -0.39 1.61 0.40 0.07 -5.01 117.98 115.64 2ami s PHE 41 Ca 0.00 0.95 -0.09 0.00 -0.60 0.00 0.00 56.93 57.19 2ami s PHE 41 Cb 0.00 -3.11 0.06 0.00 0.51 0.00 0.00 43.02 40.48 2ami s PHE 41 CO 0.00 -1.25 0.21 -1.83 0.70 0.00 0.00 175.22 173.05 2ami s GLU 42 N -5.36 2.63 -0.38 0.44 -1.05 -1.26 -4.52 118.70 109.20 2ami s GLU 42 Ca 0.58 -1.33 -0.28 0.00 -0.15 0.00 0.00 54.97 53.80 2ami s GLU 42 Cb -0.11 -3.69 -0.31 0.00 -0.44 0.00 0.00 34.13 29.58 2ami s GLU 42 CO 0.51 -0.84 1.72 -2.30 0.95 0.00 0.00 175.26 175.30 2ami n PRO 43 N 4.90 0.03 -1.95 -4.83 -0.02 -1.26 -4.88 135.00 126.99 2ami n PRO 43 Ca -0.11 -1.19 -0.33 0.00 -2.02 0.00 0.00 63.50 59.86 2ami n PRO 43 Cb 0.44 -2.92 -0.04 0.00 -0.02 0.00 0.00 33.50 30.96 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 7.36 2.47 0.09 -0.52 1.02 -1.26 -4.87 119.74 124.02 2ami s LYS 44 Ca 0.70 0.42 -0.17 0.00 0.02 0.00 0.00 55.97 56.94 2ami s LYS 44 Cb 0.07 -4.64 -0.04 0.00 -0.52 0.00 0.00 37.83 32.70 2ami s LYS 44 CO 0.27 -3.12 0.85 1.17 -0.92 0.00 0.00 175.35 173.61 2ami n LYS 45 N 9.04 -0.24 0.21 1.68 4.81 -1.26 -0.62 118.16 131.79 2ami n LYS 45 Ca 0.30 0.84 -0.15 0.00 -0.87 0.00 0.00 58.31 58.43 2ami n LYS 45 Cb 0.50 -1.23 -0.07 0.00 0.02 0.00 0.00 35.03 34.25 2ami n LYS 45 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2ami h GLU 46 N 0.00 -0.57 -0.83 1.64 4.22 -1.99 0.14 114.58 117.19 2ami h GLU 46 Ca 0.09 0.04 0.01 0.00 0.08 0.00 0.00 59.36 59.57 2ami h GLU 46 Cb 0.22 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 2ami h GLU 46 CO -0.51 -0.38 0.54 0.93 -2.18 0.00 0.00 179.01 177.42 2ami h GLU 47 N -0.59 1.09 0.28 1.92 3.07 -1.50 0.84 114.58 119.69 2ami h GLU 47 Ca -0.03 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 2ami h GLU 47 Cb 0.51 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 2ami h GLU 47 CO 0.00 0.73 -0.31 0.82 -1.40 0.00 0.00 179.01 178.85 2ami h ILE 48 N 1.12 0.36 -0.47 3.13 1.08 -0.61 0.77 117.51 122.89 2ami h ILE 48 Ca 0.30 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.81 2ami h ILE 48 Cb -0.12 0.36 -0.04 0.00 -3.07 0.00 0.00 36.82 33.95 2ami h ILE 48 CO -0.06 0.00 0.24 0.11 -0.69 0.00 0.00 178.15 177.75 2ami h LYS 49 N -0.63 0.47 0.37 2.37 1.57 -0.48 0.55 116.57 120.79 2ami h LYS 49 Ca -0.01 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2ami h LYS 49 Cb 0.58 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 2ami h LYS 49 CO -0.07 0.31 -0.42 -0.22 -0.57 0.00 0.00 179.45 178.48 2ami h LYS 50 N 0.48 -0.79 -0.02 3.15 1.63 -0.66 0.55 116.57 120.93 2ami h LYS 50 Ca 0.20 0.05 0.03 0.00 -0.85 0.00 0.00 60.65 60.09 2ami h LYS 50 Cb 0.10 0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 31.86 2ami h LYS 50 CO -0.13 -0.52 -0.23 1.98 -3.45 0.00 0.00 179.45 177.09 2ami h MET 51 N -0.82 -0.34 -0.42 1.90 4.05 -0.55 0.78 114.93 119.53 2ami h MET 51 Ca -0.03 0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.50 2ami h MET 51 Cb 0.74 0.08 -0.08 0.00 -0.80 0.00 0.00 31.60 31.54 2ami h MET 51 CO -0.09 -0.23 -0.12 0.82 0.23 0.00 0.00 176.91 177.52 2ami h ILE 52 N -0.35 0.55 -0.62 1.77 2.04 -0.78 -0.20 117.51 119.91 2ami h ILE 52 Ca 0.07 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.95 2ami h ILE 52 Cb 0.44 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 2ami h ILE 52 CO -0.22 0.00 0.38 0.28 0.00 0.00 0.00 178.15 178.59 2ami h SER 53 N -0.02 0.62 -1.01 1.72 0.02 -0.04 0.38 113.55 115.23 2ami h SER 53 Ca 0.20 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 2ami h SER 53 Cb 0.33 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.69 2ami h SER 53 CO -0.44 0.43 0.66 -0.33 -1.14 0.00 0.00 176.83 176.02 2ami h GLU 54 N 0.75 1.29 0.11 3.45 5.08 0.24 -2.97 114.58 122.54 2ami h GLU 54 Ca 0.25 -0.08 -0.27 0.00 -1.00 0.00 0.00 59.36 58.26 2ami h GLU 54 Cb 0.03 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 2ami h GLU 54 CO -0.11 0.86 -1.27 0.82 -1.00 0.00 0.00 179.01 178.31 2ami h ILE 55 N 1.33 1.46 -1.85 3.13 1.08 -0.46 -3.43 117.51 118.79 2ami h ILE 55 Ca 0.38 -3.06 -0.67 0.00 -0.39 0.00 0.00 64.86 61.12 2ami h ILE 55 Cb -0.10 2.91 -0.14 0.00 -3.07 0.00 0.00 36.82 36.41 2ami h ILE 55 CO -0.10 0.89 1.23 -0.62 -0.69 0.00 0.00 178.15 178.86 2ami s ASP 56 N -7.07 6.68 -0.20 1.72 2.15 0.13 -4.74 116.67 115.33 2ami s ASP 56 Ca -0.04 -2.05 -0.17 0.00 0.43 0.00 0.00 52.55 50.72 2ami s ASP 56 Cb 0.07 -2.47 -0.20 0.00 -0.30 0.00 0.00 42.92 40.03 2ami s ASP 56 CO 0.87 -1.16 0.18 0.29 -0.17 0.00 0.00 175.17 175.18 2ami n LYS 57 N 7.27 0.61 -0.05 4.34 4.76 -1.26 -4.69 118.16 129.14 2ami n LYS 57 Ca 0.31 0.47 -0.04 0.00 -2.87 0.00 0.00 58.31 56.18 2ami n LYS 57 Cb 0.48 -1.71 -0.09 0.00 -1.84 0.00 0.00 35.03 31.88 2ami n LYS 57 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2ami n ASP 58 N -4.19 2.30 0.15 4.39 5.68 -1.26 -4.72 116.55 118.90 2ami n ASP 58 Ca -0.35 0.00 0.17 0.00 -0.50 0.00 0.00 54.79 54.11 2ami n ASP 58 Cb 0.79 0.85 0.77 0.00 -1.14 0.00 0.00 41.12 42.39 2ami n ASP 58 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2ami h GLY 59 N 2.16 0.00 -6.20 6.12 0.00 -1.84 -3.47 103.07 99.84 2ami h GLY 59 Ca -0.27 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.64 2ami h GLY 59 CO 0.01 0.00 -0.92 1.44 0.00 0.00 0.00 176.54 177.07 2ami n SER 60 N -4.02 -4.59 0.00 0.19 7.64 -1.26 -1.22 113.62 110.36 2ami n SER 60 Ca 0.03 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 58.93 2ami n SER 60 Cb 0.39 -3.49 0.00 0.00 -1.01 0.00 0.00 64.21 60.10 2ami n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ami n GLY 61 N -1.68 3.40 3.89 0.23 0.00 -1.26 -5.04 105.19 104.73 2ami n GLY 61 Ca -0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 2ami n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ami n THR 62 N -1.72 0.00 -4.07 2.61 -2.24 -0.36 -1.29 114.28 107.20 2ami n THR 62 Ca 0.00 -2.17 -0.32 0.00 -2.27 0.00 0.00 64.05 59.29 2ami n THR 62 Cb 0.00 -0.10 -0.16 0.00 -2.10 0.00 0.00 70.33 67.96 2ami n THR 62 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2ami s ILE 63 N -2.76 1.83 0.67 2.28 -1.09 0.12 -4.24 121.20 118.01 2ami s ILE 63 Ca 0.37 -0.81 -0.12 0.00 -2.23 0.00 0.00 60.65 57.86 2ami s ILE 63 Cb -0.03 -1.69 -0.00 0.00 -1.58 0.00 0.00 42.46 39.16 2ami s ILE 63 CO 0.24 0.48 1.06 -0.62 -1.23 0.00 0.00 174.94 174.87 2ami s ASP 64 N 1.38 5.49 0.21 3.58 2.15 -1.26 -0.71 116.67 127.50 2ami s ASP 64 Ca 0.05 1.66 -0.11 0.00 0.43 0.00 0.00 52.55 54.58 2ami s ASP 64 Cb -0.13 -2.50 0.28 0.00 -0.30 0.00 0.00 42.92 40.27 2ami s ASP 64 CO -0.12 -1.37 1.68 0.15 -0.17 0.00 0.00 175.17 175.35 2ami h PHE 65 N -0.45 0.08 -0.53 -5.34 3.57 -1.99 0.80 116.94 113.08 2ami h PHE 65 Ca -0.44 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.13 2ami h PHE 65 Cb 1.21 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.97 2ami h PHE 65 CO 0.61 -0.10 0.30 0.93 -2.23 0.00 0.00 178.31 177.82 2ami h GLU 66 N 0.18 0.57 -0.29 1.11 5.08 -1.96 0.16 114.58 119.43 2ami h GLU 66 Ca 0.31 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 2ami h GLU 66 Cb 0.48 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2ami h GLU 66 CO -0.45 0.37 0.13 0.93 -1.00 0.00 0.00 179.01 178.99 2ami h GLU 67 N 0.58 0.43 -0.20 2.33 5.08 -1.64 0.46 114.58 121.63 2ami h GLU 67 Ca 0.22 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2ami h GLU 67 Cb 0.07 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2ami h GLU 67 CO -0.12 0.43 0.07 0.35 -1.00 0.00 0.00 179.01 178.73 2ami h PHE 68 N 0.33 0.12 -0.29 4.33 3.57 -0.37 0.54 116.94 125.17 2ami h PHE 68 Ca 0.10 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.66 2ami h PHE 68 Cb 0.15 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 2ami h PHE 68 CO -0.01 0.06 0.01 1.25 -2.23 0.00 0.00 178.31 177.39 2ami h LEU 69 N 0.16 -0.09 -0.22 0.59 5.85 -0.53 0.25 115.31 121.31 2ami h LEU 69 Ca 0.09 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.91 2ami h LEU 69 Cb 0.06 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 2ami h LEU 69 CO -0.09 -0.01 -0.03 0.74 -0.34 0.00 0.00 178.44 178.71 2ami h THR 70 N 0.10 0.80 -0.00 1.05 2.02 -0.39 0.16 112.91 116.65 2ami h THR 70 Ca 0.14 -0.01 0.03 0.00 0.77 0.00 0.00 66.41 67.34 2ami h THR 70 Cb 0.18 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 2ami h THR 70 CO -0.23 0.01 -0.24 -0.03 0.37 0.00 0.00 175.52 175.40 2ami h MET 71 N 0.03 -0.36 -0.30 6.66 1.85 -0.42 0.74 114.93 123.11 2ami h MET 71 Ca 0.11 0.02 0.03 0.00 -0.61 0.00 0.00 59.70 59.25 2ami h MET 71 Cb 0.15 0.08 -0.03 0.00 0.43 0.00 0.00 31.60 32.23 2ami h MET 71 CO -0.21 -0.24 0.11 0.52 -0.40 0.00 0.00 176.91 176.69 2ami h MET 72 N -0.38 0.24 -0.52 0.39 2.07 -0.62 0.15 114.93 116.27 2ami h MET 72 Ca 0.06 -0.01 0.09 0.00 -2.07 0.00 0.00 59.70 57.76 2ami h MET 72 Cb 0.46 -0.05 -0.07 0.00 -1.87 0.00 0.00 31.60 30.07 2ami h MET 72 CO -0.22 0.16 0.12 1.15 1.07 0.00 0.00 176.91 179.19 2ami h THR 73 N 0.25 0.73 -0.06 2.22 2.02 -0.30 0.11 112.91 117.87 2ami h THR 73 Ca 0.13 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.23 2ami h THR 73 Cb 0.10 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2ami h THR 73 CO -0.13 0.05 0.02 0.00 0.37 0.00 0.00 175.52 175.83 2ami h ALA 74 N 1.39 0.06 0.13 6.16 0.00 -0.25 -3.29 119.26 123.46 2ami h ALA 74 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2ami h ALA 74 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2ami h ALA 74 CO -0.32 -0.45 -0.06 0.87 0.00 0.00 0.00 179.25 179.29 2ami h LYS 75 N 0.05 -0.16 0.00 0.00 1.57 -0.19 -3.51 116.57 114.32 2ami h LYS 75 Ca 0.02 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2ami h LYS 75 Cb 0.01 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2ami h LYS 75 CO -0.02 0.11 0.00 -1.33 -0.57 0.00 0.00 179.45 177.64