#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 1.50 0.47 1.55 0.11 -1.26 -4.89 120.40 117.88 2ami s VAL 2 Ca 0.00 0.00 0.34 0.00 -2.93 0.00 0.00 61.98 59.39 2ami s VAL 2 Cb 0.00 -2.45 0.53 0.00 -1.53 0.00 0.00 36.38 32.94 2ami s VAL 2 CO 0.00 0.00 1.64 1.23 -3.33 0.00 0.00 175.10 174.64 2ami h GLY 3 N -2.76 0.95 -7.27 6.54 0.00 -1.93 -3.22 103.07 95.38 2ami h GLY 3 Ca -0.43 -0.09 -0.58 0.00 0.00 0.00 0.00 47.33 46.23 2ami h GLY 3 CO 0.30 -0.28 0.79 1.08 0.00 0.00 0.00 176.54 178.44 2ami s LEU 4 N -9.09 3.77 1.09 3.11 1.43 -1.26 -5.02 118.68 112.71 2ami s LEU 4 Ca -0.07 -0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 52.27 2ami s LEU 4 Cb 0.28 -2.56 0.24 0.00 0.03 0.00 0.00 46.19 44.19 2ami s LEU 4 CO 0.83 -1.60 1.06 0.42 0.23 0.00 0.00 176.35 177.29 2ami s THR 5 N 4.84 2.07 0.22 5.49 -4.23 -1.22 -4.70 115.64 118.11 2ami s THR 5 Ca 0.30 0.02 -0.08 0.00 -1.18 0.00 0.00 61.69 60.75 2ami s THR 5 Cb -0.12 -2.26 0.18 0.00 1.34 0.00 0.00 72.50 71.64 2ami s THR 5 CO 0.14 -0.03 1.72 -0.33 -0.54 0.00 0.00 174.62 175.58 2ami h GLU 6 N -2.29 0.34 0.05 3.99 5.08 -1.97 0.10 114.58 119.89 2ami h GLU 6 Ca -0.58 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 57.79 2ami h GLU 6 Cb 1.33 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 2ami h GLU 6 CO 0.53 0.23 -0.33 0.93 -1.00 0.00 0.00 179.01 179.36 2ami h GLU 7 N 0.35 -0.50 -0.68 2.33 4.39 -1.99 0.14 114.58 118.62 2ami h GLU 7 Ca 0.34 0.03 0.08 0.00 0.34 0.00 0.00 59.36 60.16 2ami h GLU 7 Cb 0.50 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 29.19 2ami h GLU 7 CO -0.38 -0.33 0.34 1.96 -1.16 0.00 0.00 179.01 179.43 2ami h GLN 8 N -0.52 0.57 -0.93 2.33 4.20 -1.72 -0.48 115.11 118.56 2ami h GLN 8 Ca 0.05 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.73 2ami h GLN 8 Cb 0.58 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.19 2ami h GLN 8 CO -0.24 0.38 0.62 0.87 -0.67 0.00 0.00 178.83 179.78 2ami h LYS 9 N 0.59 1.23 0.02 1.46 1.57 0.08 0.13 116.57 121.66 2ami h LYS 9 Ca 0.33 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2ami h LYS 9 Cb 0.33 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2ami h LYS 9 CO -0.25 0.81 -0.01 1.96 -0.57 0.00 0.00 179.45 181.39 2ami h GLN 10 N 1.27 -0.03 -0.35 3.15 1.08 0.53 0.12 115.11 120.88 2ami h GLN 10 Ca 0.34 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.61 2ami h GLN 10 Cb -0.15 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.23 2ami h GLN 10 CO -0.07 0.08 -0.05 0.93 -0.95 0.00 0.00 178.83 178.77 2ami h GLU 11 N -0.14 0.03 -0.83 1.46 5.08 -0.68 0.23 114.58 119.74 2ami h GLU 11 Ca -0.00 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2ami h GLU 11 Cb 0.13 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2ami h GLU 11 CO 0.01 0.02 0.50 0.82 -1.00 0.00 0.00 179.01 179.36 2ami h ILE 12 N 0.04 1.23 -0.25 3.13 2.04 -0.56 0.62 117.51 123.75 2ami h ILE 12 Ca 0.17 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 2ami h ILE 12 Cb 0.25 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 2ami h ILE 12 CO -0.33 0.24 0.13 -0.09 0.00 0.00 0.00 178.15 178.09 2ami h ARG 13 N 1.13 0.36 0.18 2.37 9.65 0.01 0.16 114.38 128.24 2ami h ARG 13 Ca 0.30 -0.05 0.01 0.00 -1.10 0.00 0.00 59.98 59.14 2ami h ARG 13 Cb -0.04 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.44 2ami h ARG 13 CO -0.06 0.34 -0.27 1.49 2.80 0.00 0.00 179.97 184.28 2ami h GLU 14 N 0.28 -0.49 -0.37 0.20 4.22 -0.51 0.35 114.58 118.26 2ami h GLU 14 Ca 0.09 0.03 0.07 0.00 0.08 0.00 0.00 59.36 59.63 2ami h GLU 14 Cb 0.10 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 2ami h GLU 14 CO -0.01 -0.33 -0.02 0.00 -2.18 0.00 0.00 179.01 176.47 2ami h ALA 15 N 0.18 0.31 -0.01 2.92 0.00 -0.79 0.01 119.26 121.87 2ami h ALA 15 Ca 0.01 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2ami h ALA 15 Cb 0.51 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 2ami h ALA 15 CO -0.11 -0.41 -0.36 0.35 0.00 0.00 0.00 179.25 178.71 2ami h PHE 16 N 0.07 -1.00 -0.28 0.00 3.57 -0.34 0.11 116.94 119.07 2ami h PHE 16 Ca 0.18 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.77 2ami h PHE 16 Cb 0.26 0.44 -0.05 0.00 2.79 0.00 0.00 35.95 39.39 2ami h PHE 16 CO -0.27 -0.45 -0.07 0.22 -2.23 0.00 0.00 178.31 175.51 2ami h ASP 17 N -0.51 -0.25 0.14 0.41 3.58 -0.45 0.13 116.42 119.47 2ami h ASP 17 Ca 0.06 0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.60 2ami h ASP 17 Cb 0.60 0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.79 2ami h ASP 17 CO -0.29 -0.09 -0.22 0.25 -2.88 0.00 0.00 179.24 176.00 2ami h LEU 18 N 0.00 -0.62 -1.47 2.28 6.46 -0.61 -2.58 115.31 118.77 2ami h LEU 18 Ca 0.13 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 2ami h LEU 18 Cb 0.20 0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.34 2ami h LEU 18 CO -0.28 -0.31 0.33 -0.26 -0.62 0.00 0.00 178.44 177.29 2ami h PHE 19 N -0.43 0.65 0.00 1.25 0.04 -0.37 -2.76 116.94 115.32 2ami h PHE 19 Ca 0.02 0.01 -0.37 0.00 2.80 0.00 0.00 57.97 60.43 2ami h PHE 19 Cb 0.44 -0.22 0.01 0.00 2.20 0.00 0.00 35.95 38.38 2ami h PHE 19 CO -0.20 0.42 2.34 -3.47 -0.60 0.00 0.00 178.31 176.81 2ami n ASP 20 N -4.45 5.09 -0.24 2.17 2.03 0.41 -4.61 116.55 116.95 2ami n ASP 20 Ca 0.05 -2.31 0.10 0.00 0.52 0.00 0.00 54.79 53.14 2ami n ASP 20 Cb 0.06 -1.11 0.36 0.00 -0.72 0.00 0.00 41.12 39.71 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 3.23 0.91 0.00 5.18 1.35 -1.63 0.82 112.91 122.77 2ami h THR 21 Ca 0.48 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 66.09 2ami h THR 21 Cb 0.29 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 66.82 2ami h THR 21 CO 1.31 0.13 0.00 0.44 -0.25 0.00 0.00 175.52 177.16 2ami h ASP 22 N 0.73 0.00 -2.53 5.36 3.32 -1.90 -3.46 116.42 117.94 2ami h ASP 22 Ca 0.40 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 57.14 2ami h ASP 22 Cb 0.54 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 2ami h ASP 22 CO -0.17 0.00 -0.42 0.61 -1.72 0.00 0.00 179.24 177.54 2ami n GLY 23 N -0.51 -0.27 0.23 2.75 0.00 0.28 -4.89 105.19 102.77 2ami n GLY 23 Ca -0.00 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 45.91 2ami n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ami n SER 24 N -1.13 0.68 -0.29 1.61 3.41 -1.26 -4.87 113.62 111.76 2ami n SER 24 Ca -0.17 -1.63 -0.04 0.00 -0.26 0.00 0.00 58.87 56.77 2ami n SER 24 Cb 0.63 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 2ami n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ami n GLY 25 N 0.88 0.42 3.50 5.00 0.00 -1.26 -4.89 105.19 108.84 2ami n GLY 25 Ca 0.13 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.45 -0.00 -0.33 2.61 -4.23 -1.26 -4.40 115.64 106.59 2ami s THR 26 Ca 0.00 0.02 -0.25 0.00 -1.18 0.00 0.00 61.69 60.28 2ami s THR 26 Cb 0.00 -0.84 0.01 0.00 1.34 0.00 0.00 72.50 73.01 2ami s THR 26 CO 0.00 0.01 0.86 -0.63 -0.54 0.00 0.00 174.62 174.32 2ami s ILE 27 N 0.89 4.70 0.46 2.99 1.01 0.19 -4.80 121.20 126.65 2ami s ILE 27 Ca -0.05 1.25 -0.24 0.00 0.00 0.00 0.00 60.65 61.61 2ami s ILE 27 Cb -0.05 -4.23 -0.07 0.00 0.01 0.00 0.00 42.46 38.11 2ami s ILE 27 CO -0.08 -0.36 1.32 -0.62 0.00 0.00 0.00 174.94 175.21 2ami s ASP 28 N 1.69 5.92 0.30 3.58 -1.08 -1.26 -0.05 116.67 125.77 2ami s ASP 28 Ca 0.36 2.69 0.03 0.00 -0.52 0.00 0.00 52.55 55.10 2ami s ASP 28 Cb -0.13 -2.64 0.76 0.00 -1.46 0.00 0.00 42.92 39.45 2ami s ASP 28 CO 0.14 -1.12 1.51 0.00 0.52 0.00 0.00 175.17 176.22 2ami n ALA 29 N -0.34 0.51 0.04 3.66 0.00 -0.31 -0.24 120.51 123.82 2ami n ALA 29 Ca 0.06 1.03 -0.10 0.00 0.00 0.00 0.00 53.44 54.43 2ami n ALA 29 Cb 0.44 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.26 -0.92 0.00 1.57 -1.91 -0.08 116.57 114.97 2ami h LYS 30 Ca 0.59 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.44 2ami h LYS 30 Cb 1.24 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.55 2ami h LYS 30 CO -0.90 -0.17 0.60 0.93 -0.57 0.00 0.00 179.45 179.34 2ami h GLU 31 N -0.27 1.08 -0.29 3.15 5.08 -0.94 -0.89 114.58 121.49 2ami h GLU 31 Ca 0.07 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2ami h GLU 31 Cb 0.37 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2ami h GLU 31 CO -0.21 0.71 0.04 1.25 -1.00 0.00 0.00 179.01 179.81 2ami h LEU 32 N 1.11 0.47 -0.92 1.33 5.85 -0.08 0.19 115.31 123.25 2ami h LEU 32 Ca 0.38 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2ami h LEU 32 Cb 0.09 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2ami h LEU 32 CO -0.13 0.62 0.39 0.07 -0.34 0.00 0.00 178.44 179.05 2ami h LYS 33 N 0.30 1.17 -0.18 1.25 2.10 -0.64 0.72 116.57 121.28 2ami h LYS 33 Ca 0.09 -0.17 0.04 0.00 -2.00 0.00 0.00 60.65 58.61 2ami h LYS 33 Cb 0.35 -0.21 -0.04 0.00 -0.90 0.00 0.00 32.23 31.43 2ami h LYS 33 CO 0.01 0.90 -0.07 0.28 -2.00 0.00 0.00 179.45 178.56 2ami h VAL 34 N 1.16 0.76 -0.10 0.07 2.07 -0.96 0.74 116.25 119.99 2ami h VAL 34 Ca 0.28 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.84 2ami h VAL 34 Cb 0.11 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 2ami h VAL 34 CO -0.04 0.00 -0.21 0.00 0.02 0.00 0.00 177.57 177.34 2ami h ALA 35 N 1.13 -0.19 -0.82 1.67 0.00 -0.02 0.55 119.26 121.59 2ami h ALA 35 Ca 0.09 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2ami h ALA 35 Cb 0.18 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 2ami h ALA 35 CO -0.21 -0.68 0.50 0.52 0.00 0.00 0.00 179.25 179.38 2ami h MET 36 N -0.28 0.90 0.05 0.00 2.07 -0.65 0.22 114.93 117.23 2ami h MET 36 Ca 0.09 -0.05 0.03 0.00 -2.07 0.00 0.00 59.70 57.69 2ami h MET 36 Cb 0.42 -0.20 -0.05 0.00 -1.87 0.00 0.00 31.60 29.90 2ami h MET 36 CO -0.27 0.59 -0.36 0.00 1.07 0.00 0.00 176.91 177.95 2ami h ARG 37 N 0.92 -0.52 -0.95 1.72 2.47 0.03 0.42 114.38 118.47 2ami h ARG 37 Ca 0.35 0.04 0.08 0.00 -1.26 0.00 0.00 59.98 59.19 2ami h ARG 37 Cb 0.15 0.12 -0.07 0.00 -1.65 0.00 0.00 29.97 28.53 2ami h ARG 37 CO -0.17 -0.35 0.61 0.00 0.56 0.00 0.00 179.97 180.63 2ami h ALA 38 N 0.09 1.50 0.00 0.04 0.00 -0.04 0.34 119.26 121.18 2ami h ALA 38 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2ami h ALA 38 Cb 0.61 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2ami h ALA 38 CO -0.25 0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.61 2ami n LEU 39 N -4.51 0.00 0.00 0.00 4.77 0.68 -4.88 117.00 113.06 2ami n LEU 39 Ca 0.15 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 2ami n LEU 39 Cb 0.23 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2ami n LEU 39 CO 0.32 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 2ami n GLY 40 N 0.09 0.79 3.50 -0.72 0.00 0.11 -5.04 105.19 103.91 2ami n GLY 40 Ca 0.07 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 2ami n GLY 40 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ami n PHE 41 N -2.55 -3.94 -3.95 1.61 3.01 0.05 -5.01 117.46 106.68 2ami n PHE 41 Ca 0.00 -1.04 -0.31 0.00 1.01 0.00 0.00 57.45 57.11 2ami n PHE 41 Cb 0.07 -1.00 -0.15 0.00 -0.01 0.00 0.00 39.48 38.38 2ami n PHE 41 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2ami s GLU 42 N -5.58 1.44 0.00 -1.08 2.12 -1.26 -4.72 118.70 109.61 2ami s GLU 42 Ca 0.69 -1.50 -0.30 0.00 0.36 0.00 0.00 54.97 54.21 2ami s GLU 42 Cb -0.04 -2.82 -0.37 0.00 0.26 0.00 0.00 34.13 31.16 2ami s GLU 42 CO 0.50 -0.85 1.58 -2.30 -0.54 0.00 0.00 175.26 173.65 2ami n PRO 43 N 4.46 0.00 -1.94 4.30 -0.02 -1.26 -4.85 135.00 135.69 2ami n PRO 43 Ca -0.02 -0.99 -0.24 0.00 -2.02 0.00 0.00 63.50 60.24 2ami n PRO 43 Cb 0.42 -2.49 -0.06 0.00 -0.02 0.00 0.00 33.50 31.36 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 6.95 2.31 0.17 -0.52 1.02 -1.26 -4.85 119.74 123.56 2ami s LYS 44 Ca 0.67 -0.21 -0.04 0.00 0.02 0.00 0.00 55.97 56.42 2ami s LYS 44 Cb 0.15 -5.02 0.32 0.00 -0.52 0.00 0.00 37.83 32.75 2ami s LYS 44 CO 0.34 -3.72 0.95 0.36 -0.92 0.00 0.00 175.35 172.36 2ami n LYS 45 N 8.78 -0.05 -0.03 1.68 2.85 -1.26 0.13 118.16 130.25 2ami n LYS 45 Ca 0.42 0.94 -0.11 0.00 -1.05 0.00 0.00 58.31 58.51 2ami n LYS 45 Cb 0.46 -1.42 -0.04 0.00 -0.65 0.00 0.00 35.03 33.38 2ami n LYS 45 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2ami h GLU 46 N 0.00 0.22 -0.35 -1.58 5.08 -1.99 0.94 114.58 116.90 2ami h GLU 46 Ca 0.31 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.54 2ami h GLU 46 Cb 0.51 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2ami h GLU 46 CO -0.61 0.20 -0.19 0.93 -1.00 0.00 0.00 179.01 178.33 2ami h GLU 47 N 0.19 0.76 0.14 2.33 4.39 -0.71 0.01 114.58 121.68 2ami h GLU 47 Ca 0.06 -0.34 0.02 0.00 0.34 0.00 0.00 59.36 59.44 2ami h GLU 47 Cb 0.03 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 2ami h GLU 47 CO -0.01 0.95 -0.43 0.82 -1.16 0.00 0.00 179.01 179.19 2ami h ILE 48 N 0.54 0.15 -0.19 3.13 1.08 -0.91 0.48 117.51 121.80 2ami h ILE 48 Ca 0.08 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.59 2ami h ILE 48 Cb 0.74 0.15 -0.05 0.00 -3.07 0.00 0.00 36.82 34.59 2ami h ILE 48 CO 0.06 0.00 -0.11 0.50 -0.69 0.00 0.00 178.15 177.90 2ami h LYS 49 N -0.67 -0.10 0.28 2.37 3.64 -0.64 0.89 116.57 122.33 2ami h LYS 49 Ca 0.02 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2ami h LYS 49 Cb 0.69 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 2ami h LYS 49 CO -0.24 -0.07 -0.43 -0.22 -2.27 0.00 0.00 179.45 176.23 2ami h LYS 50 N -0.11 -0.74 0.11 1.90 1.63 -0.79 0.53 116.57 119.10 2ami h LYS 50 Ca 0.11 0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.97 2ami h LYS 50 Cb 0.27 0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 2ami h LYS 50 CO -0.25 -0.49 -0.18 1.98 -3.45 0.00 0.00 179.45 177.05 2ami h MET 51 N -0.77 -0.34 -0.50 1.90 4.05 -0.63 0.19 114.93 118.84 2ami h MET 51 Ca -0.01 0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.53 2ami h MET 51 Cb 0.73 0.08 -0.09 0.00 -0.80 0.00 0.00 31.60 31.51 2ami h MET 51 CO -0.15 -0.23 -0.11 0.82 0.23 0.00 0.00 176.91 177.48 2ami h ILE 52 N -0.35 0.51 -0.23 1.77 2.04 -0.71 0.65 117.51 121.19 2ami h ILE 52 Ca 0.02 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.90 2ami h ILE 52 Cb 0.37 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 2ami h ILE 52 CO -0.10 0.00 0.09 0.28 0.00 0.00 0.00 178.15 178.43 2ami h SER 53 N 0.01 0.11 -0.56 1.72 0.02 -0.20 0.35 113.55 115.02 2ami h SER 53 Ca 0.24 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.25 2ami h SER 53 Cb 0.37 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 2ami h SER 53 CO -0.50 0.09 0.31 -0.33 -1.14 0.00 0.00 176.83 175.26 2ami h GLU 54 N 0.20 0.58 -0.10 3.45 5.08 0.07 -2.39 114.58 121.47 2ami h GLU 54 Ca 0.10 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 2ami h GLU 54 Cb 0.06 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2ami h GLU 54 CO -0.10 0.38 -0.59 0.82 -1.00 0.00 0.00 179.01 178.53 2ami h ILE 55 N 0.60 1.37 0.00 3.13 1.08 -0.58 -3.37 117.51 119.74 2ami h ILE 55 Ca 0.24 -1.92 -0.68 0.00 -0.39 0.00 0.00 64.86 62.10 2ami h ILE 55 Cb 0.10 1.94 0.00 0.00 -3.07 0.00 0.00 36.82 35.79 2ami h ILE 55 CO -0.14 0.57 2.78 -0.67 -0.69 0.00 0.00 178.15 180.00 2ami n ASP 56 N -3.90 3.33 -0.30 1.72 2.03 0.12 -4.66 116.55 114.88 2ami n ASP 56 Ca -0.03 -2.76 -0.04 0.00 0.52 0.00 0.00 54.79 52.48 2ami n ASP 56 Cb 0.61 -1.42 0.08 0.00 -0.72 0.00 0.00 41.12 39.67 2ami n ASP 56 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2ami h LYS 57 N 6.82 1.08 0.00 -0.67 1.63 -1.75 -3.42 116.57 120.26 2ami h LYS 57 Ca 0.51 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.24 2ami h LYS 57 Cb 0.65 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 2ami h LYS 57 CO 1.92 0.71 0.00 -0.40 -3.45 0.00 0.00 179.45 178.23 2ami n ASP 58 N -4.52 0.00 0.11 4.20 5.75 -1.26 -4.92 116.55 115.91 2ami n ASP 58 Ca 0.08 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.94 2ami n ASP 58 Cb 0.02 0.00 0.39 0.00 -1.03 0.00 0.00 41.12 40.50 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 0.28 -0.75 3.53 6.12 0.00 -1.26 -4.89 105.19 108.23 2ami n GLY 59 Ca 0.00 0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 2ami n GLY 59 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ami n SER 60 N -2.01 -5.92 0.00 1.61 7.64 -1.26 -1.73 113.62 111.96 2ami n SER 60 Ca -0.01 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.14 2ami n SER 60 Cb 0.02 -3.46 0.00 0.00 -1.01 0.00 0.00 64.21 59.77 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 -1.69 3.14 3.86 0.23 0.00 -1.26 -5.02 105.19 104.45 2ami n GLY 61 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.49 3.05 -0.22 2.61 -4.23 -0.70 -1.17 115.64 112.48 2ami s THR 62 Ca 0.00 -1.36 0.02 0.00 -1.18 0.00 0.00 61.69 59.17 2ami s THR 62 Cb 0.00 -3.08 0.05 0.00 1.34 0.00 0.00 72.50 70.81 2ami s THR 62 CO 0.00 -0.08 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.24 2ami s ILE 63 N -2.40 2.01 0.73 2.99 -1.09 0.93 -4.07 121.20 120.31 2ami s ILE 63 Ca 0.45 -1.31 -0.11 0.00 -2.23 0.00 0.00 60.65 57.45 2ami s ILE 63 Cb -0.04 -2.04 0.03 0.00 -1.58 0.00 0.00 42.46 38.83 2ami s ILE 63 CO 0.27 0.17 1.08 -0.62 -1.23 0.00 0.00 174.94 174.61 2ami s ASP 64 N 1.22 4.88 0.25 3.58 2.15 -1.26 -0.63 116.67 126.86 2ami s ASP 64 Ca -0.03 1.78 -0.02 0.00 0.43 0.00 0.00 52.55 54.70 2ami s ASP 64 Cb -0.17 -2.52 0.51 0.00 -0.30 0.00 0.00 42.92 40.44 2ami s ASP 64 CO -0.08 -1.78 1.73 0.15 -0.17 0.00 0.00 175.17 175.02 2ami h PHE 65 N -0.83 0.56 -0.15 -5.34 3.57 -1.99 0.10 116.94 112.86 2ami h PHE 65 Ca -0.44 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2ami h PHE 65 Cb 1.23 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 2ami h PHE 65 CO 0.59 0.06 0.10 0.93 -2.23 0.00 0.00 178.31 177.76 2ami h GLU 66 N 0.46 0.20 -0.26 1.11 5.08 -1.97 0.16 114.58 119.36 2ami h GLU 66 Ca 0.44 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 2ami h GLU 66 Cb 0.70 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2ami h GLU 66 CO -0.42 0.13 0.17 0.93 -1.00 0.00 0.00 179.01 178.82 2ami h GLU 67 N 0.20 0.34 -0.12 2.33 5.08 -1.61 0.11 114.58 120.90 2ami h GLU 67 Ca 0.06 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2ami h GLU 67 Cb -0.02 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2ami h GLU 67 CO -0.02 0.23 -0.06 0.35 -1.00 0.00 0.00 179.01 178.52 2ami h PHE 68 N 0.34 -0.13 -0.62 4.33 3.57 -0.59 0.11 116.94 123.95 2ami h PHE 68 Ca 0.09 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.63 2ami h PHE 68 Cb -0.03 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 2ami h PHE 68 CO -0.06 -0.09 0.38 1.25 -2.23 0.00 0.00 178.31 177.56 2ami h LEU 69 N -0.04 0.62 -0.18 0.59 6.46 -0.45 0.21 115.31 122.51 2ami h LEU 69 Ca 0.07 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.86 2ami h LEU 69 Cb 0.15 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 39.92 2ami h LEU 69 CO -0.15 0.43 -0.01 0.74 -0.62 0.00 0.00 178.44 178.83 2ami h THR 70 N 0.74 0.86 -0.31 1.05 2.02 -0.19 0.23 112.91 117.31 2ami h THR 70 Ca 0.25 -0.02 0.07 0.00 0.77 0.00 0.00 66.41 67.48 2ami h THR 70 Cb 0.02 0.81 -0.07 0.00 -1.74 0.00 0.00 68.15 67.17 2ami h THR 70 CO -0.10 0.01 -0.13 -0.03 0.37 0.00 0.00 175.52 175.63 2ami h MET 71 N 0.05 -0.08 -0.79 6.66 1.85 -0.45 0.68 114.93 122.85 2ami h MET 71 Ca 0.09 0.01 0.02 0.00 -0.61 0.00 0.00 59.70 59.20 2ami h MET 71 Cb 0.11 0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.12 2ami h MET 71 CO -0.16 -0.05 0.52 0.52 -0.40 0.00 0.00 176.91 177.34 2ami h MET 72 N -0.08 1.01 -0.25 0.39 2.07 -0.26 -0.00 114.93 117.80 2ami h MET 72 Ca 0.16 -0.06 0.01 0.00 -2.07 0.00 0.00 59.70 57.73 2ami h MET 72 Cb 0.32 -0.23 -0.02 0.00 -1.87 0.00 0.00 31.60 29.81 2ami h MET 72 CO -0.36 0.67 0.15 1.15 1.07 0.00 0.00 176.91 179.59 2ami h THR 73 N 1.04 1.04 -0.52 2.22 2.02 0.10 0.21 112.91 119.01 2ami h THR 73 Ca 0.30 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.38 2ami h THR 73 Cb -0.07 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 2ami h THR 73 CO -0.08 0.06 0.33 0.00 0.37 0.00 0.00 175.52 176.20 2ami h ALA 74 N 1.11 0.66 -0.30 6.16 0.00 -0.22 -2.87 119.26 123.80 2ami h ALA 74 Ca 0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2ami h ALA 74 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2ami h ALA 74 CO -0.04 0.07 -0.00 0.87 0.00 0.00 0.00 179.25 180.15 2ami h LYS 75 N 0.67 0.53 0.00 0.00 1.79 -0.73 -3.51 116.57 115.32 2ami h LYS 75 Ca 0.19 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2ami h LYS 75 Cb -0.05 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 2ami h LYS 75 CO -0.06 0.68 0.00 -0.12 -1.08 0.00 0.00 179.45 178.87