#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 2.44 0.00 8.89 0.24 -1.26 -3.11 118.33 125.54 2ami n VAL 2 Ca 0.00 -1.80 0.00 0.00 -2.04 0.00 0.00 64.34 60.50 2ami n VAL 2 Cb 0.00 -2.31 0.00 0.00 -1.47 0.00 0.00 33.84 30.06 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 4.13 -0.66 3.40 7.63 0.00 -1.26 -4.99 105.19 113.44 2ami n GLY 3 Ca 0.50 0.28 -0.37 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 4.21 -4.64 0.99 4.77 -1.25 -4.84 117.00 116.25 2ami n LEU 4 Ca 0.00 -3.45 -0.29 0.00 -0.03 0.00 0.00 56.01 52.24 2ami n LEU 4 Cb 0.00 -1.62 0.18 0.00 -2.33 0.00 0.00 43.42 39.65 2ami n LEU 4 CO 0.00 -0.67 0.62 0.42 -1.33 0.00 0.00 177.39 176.43 2ami s THR 5 N 7.13 2.30 0.24 -5.08 -4.23 -1.18 -0.86 115.64 113.97 2ami s THR 5 Ca 0.60 0.10 -0.04 0.00 -1.18 0.00 0.00 61.69 61.17 2ami s THR 5 Cb 0.05 -2.38 0.21 0.00 1.34 0.00 0.00 72.50 71.72 2ami s THR 5 CO 0.09 -0.13 1.78 -0.33 -0.54 0.00 0.00 174.62 175.50 2ami h GLU 6 N -1.97 0.65 -0.26 3.99 4.39 -1.92 0.23 114.58 119.68 2ami h GLU 6 Ca -0.53 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.17 2ami h GLU 6 Cb 1.30 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.77 2ami h GLU 6 CO 0.52 0.43 0.01 0.93 -1.16 0.00 0.00 179.01 179.74 2ami h GLU 7 N 0.67 0.09 -0.28 2.33 3.07 -1.97 0.21 114.58 118.70 2ami h GLU 7 Ca 0.40 -0.01 0.05 0.00 -0.50 0.00 0.00 59.36 59.30 2ami h GLU 7 Cb 0.46 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.31 2ami h GLU 7 CO -0.30 0.06 0.02 1.96 -1.40 0.00 0.00 179.01 179.36 2ami h GLN 8 N 0.10 0.11 -0.68 2.33 1.08 -1.59 0.04 115.11 116.50 2ami h GLN 8 Ca 0.12 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.39 2ami h GLN 8 Cb 0.15 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.50 2ami h GLN 8 CO -0.20 0.07 0.35 0.87 -0.95 0.00 0.00 178.83 178.98 2ami h LYS 9 N 0.11 0.61 0.14 1.46 1.57 -0.20 0.11 116.57 120.38 2ami h LYS 9 Ca 0.13 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2ami h LYS 9 Cb 0.16 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2ami h LYS 9 CO -0.21 0.40 -0.16 1.96 -0.57 0.00 0.00 179.45 180.87 2ami h GLN 10 N 0.63 -0.33 -0.42 3.15 4.20 -0.09 0.11 115.11 122.36 2ami h GLN 10 Ca 0.32 0.02 0.05 0.00 0.06 0.00 0.00 58.65 59.10 2ami h GLN 10 Cb 0.27 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.08 2ami h GLN 10 CO -0.22 -0.22 0.16 0.93 -0.67 0.00 0.00 178.83 178.80 2ami h GLU 11 N -0.35 0.33 -0.51 1.46 4.39 -0.40 0.11 114.58 119.60 2ami h GLU 11 Ca 0.01 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.76 2ami h GLU 11 Cb 0.34 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.86 2ami h GLU 11 CO -0.06 0.22 0.20 0.82 -1.16 0.00 0.00 179.01 179.03 2ami h ILE 12 N 0.34 0.85 -0.32 3.13 2.04 -0.53 0.61 117.51 123.63 2ami h ILE 12 Ca 0.19 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 2ami h ILE 12 Cb 0.16 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2ami h ILE 12 CO -0.18 0.07 0.17 -0.09 0.00 0.00 0.00 178.15 178.12 2ami h ARG 13 N 0.40 0.45 -0.11 2.37 9.65 0.13 0.93 114.38 128.19 2ami h ARG 13 Ca 0.24 -0.06 0.04 0.00 -1.10 0.00 0.00 59.98 59.10 2ami h ARG 13 Cb 0.24 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.70 2ami h ARG 13 CO -0.23 0.39 -0.12 0.93 2.80 0.00 0.00 179.97 183.74 2ami h GLU 14 N 0.39 -0.15 -0.19 0.20 5.08 -0.29 0.81 114.58 120.43 2ami h GLU 14 Ca 0.11 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 2ami h GLU 14 Cb 0.08 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 2ami h GLU 14 CO -0.02 -0.10 -0.10 0.00 -1.00 0.00 0.00 179.01 177.79 2ami h ALA 15 N 0.91 0.05 -0.04 3.43 0.00 -0.70 0.54 119.26 123.46 2ami h ALA 15 Ca 0.08 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2ami h ALA 15 Cb 0.27 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2ami h ALA 15 CO -0.20 -0.53 -0.40 0.35 0.00 0.00 0.00 179.25 178.46 2ami h PHE 16 N -0.09 -1.19 -0.60 0.00 3.57 -0.39 -0.38 116.94 117.86 2ami h PHE 16 Ca 0.11 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.75 2ami h PHE 16 Cb 0.25 0.52 -0.08 0.00 2.79 0.00 0.00 35.95 39.43 2ami h PHE 16 CO -0.26 -0.42 0.18 -0.44 -2.23 0.00 0.00 178.31 175.14 2ami h ASP 17 N -0.48 0.12 0.11 0.41 3.32 -0.56 0.16 116.42 119.50 2ami h ASP 17 Ca 0.01 0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.17 2ami h ASP 17 Cb 0.53 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 2ami h ASP 17 CO -0.29 0.07 -0.19 0.25 -1.72 0.00 0.00 179.24 177.36 2ami h LEU 18 N 0.33 -0.53 -1.06 1.55 6.46 -0.54 -2.58 115.31 118.93 2ami h LEU 18 Ca 0.31 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 58.11 2ami h LEU 18 Cb 0.43 0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.53 2ami h LEU 18 CO -0.35 -0.27 0.30 -0.26 -0.62 0.00 0.00 178.44 177.24 2ami h PHE 19 N -0.37 0.97 0.00 1.25 0.04 -0.18 -3.16 116.94 115.49 2ami h PHE 19 Ca 0.03 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2ami h PHE 19 Cb 0.38 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.23 2ami h PHE 19 CO -0.19 0.72 0.00 -3.47 -0.60 0.00 0.00 178.31 174.77 2ami n ASP 20 N -4.33 1.56 -0.32 2.17 2.03 0.48 -4.60 116.55 113.55 2ami n ASP 20 Ca 0.06 -1.09 -0.08 0.00 0.52 0.00 0.00 54.79 54.20 2ami n ASP 20 Cb 0.15 -0.27 -0.08 0.00 -0.72 0.00 0.00 41.12 40.20 2ami n ASP 20 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2ami n THR 21 N 0.69 -0.51 -0.03 5.18 -2.24 -1.20 -0.78 114.28 115.39 2ami n THR 21 Ca 0.00 2.12 0.03 0.00 -2.27 0.00 0.00 64.05 63.93 2ami n THR 21 Cb 0.26 -2.65 -0.15 0.00 -2.10 0.00 0.00 70.33 65.69 2ami n THR 21 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2ami n ASP 22 N -4.73 0.11 -0.28 3.42 2.03 -1.26 -4.36 116.55 111.48 2ami n ASP 22 Ca 0.02 0.05 0.17 0.00 0.52 0.00 0.00 54.79 55.54 2ami n ASP 22 Cb 0.20 1.42 0.45 0.00 -0.72 0.00 0.00 41.12 42.47 2ami n ASP 22 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2ami h GLY 23 N 3.97 1.17 -7.04 0.27 0.00 -1.60 -3.46 103.07 96.39 2ami h GLY 23 Ca -0.21 -0.25 -0.60 0.00 0.00 0.00 0.00 47.33 46.27 2ami h GLY 23 CO 0.01 -0.02 -0.93 -1.26 0.00 0.00 0.00 176.54 174.35 2ami n SER 24 N -4.59 0.34 0.00 0.19 2.88 0.04 -1.34 113.62 111.15 2ami n SER 24 Ca 0.21 -1.23 0.00 0.00 -1.33 0.00 0.00 58.87 56.51 2ami n SER 24 Cb 0.65 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 2ami n SER 24 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ami n GLY 25 N -2.22 4.06 2.79 0.46 0.00 -1.26 -5.10 105.19 103.93 2ami n GLY 25 Ca -0.23 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 0.29 -0.04 2.61 -4.23 -0.45 -4.24 115.64 109.57 2ami s THR 26 Ca 0.00 0.12 -0.30 0.00 -1.18 0.00 0.00 61.69 60.33 2ami s THR 26 Cb 0.00 -0.43 -0.04 0.00 1.34 0.00 0.00 72.50 73.37 2ami s THR 26 CO 0.00 0.22 1.36 -0.63 -0.54 0.00 0.00 174.62 175.03 2ami s ILE 27 N 1.62 3.91 0.43 2.99 1.01 0.23 -4.26 121.20 127.13 2ami s ILE 27 Ca -0.01 1.23 -0.23 0.00 0.00 0.00 0.00 60.65 61.65 2ami s ILE 27 Cb -0.13 -3.79 -0.09 0.00 0.01 0.00 0.00 42.46 38.46 2ami s ILE 27 CO -0.03 -0.03 1.05 -0.62 0.00 0.00 0.00 174.94 175.31 2ami s ASP 28 N 1.94 6.57 0.24 3.58 -1.08 -1.26 -0.41 116.67 126.25 2ami s ASP 28 Ca 0.62 2.01 -0.04 0.00 -0.52 0.00 0.00 52.55 54.62 2ami s ASP 28 Cb -0.29 -2.58 0.45 0.00 -1.46 0.00 0.00 42.92 39.04 2ami s ASP 28 CO 0.24 -0.62 1.28 0.00 0.52 0.00 0.00 175.17 176.59 2ami n ALA 29 N -0.42 0.26 0.09 3.66 0.00 -1.26 -0.68 120.51 122.16 2ami n ALA 29 Ca 0.07 0.90 -0.12 0.00 0.00 0.00 0.00 53.44 54.28 2ami n ALA 29 Cb 0.51 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.46 -0.86 0.00 1.57 -1.97 0.97 116.57 115.83 2ami h LYS 30 Ca 0.42 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.28 2ami h LYS 30 Cb 0.72 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 33.08 2ami h LYS 30 CO -0.82 -0.30 0.54 0.93 -0.57 0.00 0.00 179.45 179.22 2ami h GLU 31 N -0.47 0.99 -0.25 3.15 5.08 -1.23 0.06 114.58 121.92 2ami h GLU 31 Ca 0.05 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2ami h GLU 31 Cb 0.53 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2ami h GLU 31 CO -0.21 0.65 0.08 1.25 -1.00 0.00 0.00 179.01 179.79 2ami h LEU 32 N 1.02 0.35 -1.07 1.33 5.85 -0.35 0.92 115.31 123.36 2ami h LEU 32 Ca 0.36 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 2ami h LEU 32 Cb 0.10 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2ami h LEU 32 CO -0.15 0.45 0.05 0.07 -0.34 0.00 0.00 178.44 178.53 2ami h LYS 33 N 0.24 0.71 -0.25 1.25 2.10 -0.41 0.60 116.57 120.81 2ami h LYS 33 Ca 0.08 -0.16 0.03 0.00 -2.00 0.00 0.00 60.65 58.60 2ami h LYS 33 Cb 0.22 -0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 31.42 2ami h LYS 33 CO -0.00 0.69 0.08 0.28 -2.00 0.00 0.00 179.45 178.50 2ami h VAL 34 N 0.68 0.93 0.11 0.07 2.07 -0.71 0.17 116.25 119.57 2ami h VAL 34 Ca 0.14 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.62 2ami h VAL 34 Cb 0.35 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2ami h VAL 34 CO 0.01 0.04 -0.26 0.00 0.02 0.00 0.00 177.57 177.37 2ami h ALA 35 N 1.15 -0.44 -0.59 1.67 0.00 -0.16 0.46 119.26 121.36 2ami h ALA 35 Ca 0.11 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.07 2ami h ALA 35 Cb 0.08 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 2ami h ALA 35 CO -0.11 -0.80 0.21 0.52 0.00 0.00 0.00 179.25 179.07 2ami h MET 36 N -0.47 0.37 -0.20 0.00 2.07 -0.73 0.11 114.93 116.09 2ami h MET 36 Ca 0.03 -0.02 0.03 0.00 -2.07 0.00 0.00 59.70 57.67 2ami h MET 36 Cb 0.50 -0.08 -0.03 0.00 -1.87 0.00 0.00 31.60 30.11 2ami h MET 36 CO -0.16 0.25 0.01 -0.09 1.07 0.00 0.00 176.91 177.99 2ami h ARG 37 N 0.39 0.08 -1.00 1.72 9.65 -0.16 0.50 114.38 125.55 2ami h ARG 37 Ca 0.30 -0.00 0.06 0.00 -1.10 0.00 0.00 59.98 59.24 2ami h ARG 37 Cb 0.37 -0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 28.86 2ami h ARG 37 CO -0.31 0.05 0.65 0.00 2.80 0.00 0.00 179.97 183.16 2ami h ALA 38 N 1.16 1.38 0.00 2.80 0.00 -0.17 0.11 119.26 124.54 2ami h ALA 38 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2ami h ALA 38 Cb 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2ami h ALA 38 CO -0.14 0.45 0.00 1.28 0.00 0.00 0.00 179.25 180.83 2ami n LEU 39 N -4.50 0.00 0.00 0.00 4.77 0.32 -4.87 117.00 112.72 2ami n LEU 39 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2ami n LEU 39 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2ami n LEU 39 CO 0.32 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2ami n GLY 40 N 0.17 0.47 3.81 -0.72 0.00 0.37 -5.03 105.19 104.27 2ami n GLY 40 Ca 0.11 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 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 2.76 -0.38 1.61 0.40 0.07 -4.99 117.98 115.45 2ami s PHE 41 Ca 0.00 0.99 -0.06 0.00 -0.60 0.00 0.00 56.93 57.25 2ami s PHE 41 Cb 0.00 -3.26 0.07 0.00 0.51 0.00 0.00 43.02 40.34 2ami s PHE 41 CO 0.00 -1.95 0.18 -1.21 0.70 0.00 0.00 175.22 172.94 2ami s GLU 42 N -5.26 2.48 -0.15 0.44 2.02 -1.26 -4.46 118.70 112.50 2ami s GLU 42 Ca 0.62 -1.43 -0.26 0.00 0.02 0.00 0.00 54.97 53.92 2ami s GLU 42 Cb -0.14 -3.59 -0.30 0.00 0.10 0.00 0.00 34.13 30.20 2ami s GLU 42 CO 0.53 -0.86 1.51 -2.30 0.02 0.00 0.00 175.26 174.15 2ami n PRO 43 N 4.80 0.01 -1.99 0.39 -0.02 -1.26 -4.85 135.00 132.08 2ami n PRO 43 Ca -0.10 -0.94 -0.25 0.00 -2.02 0.00 0.00 63.50 60.19 2ami n PRO 43 Cb 0.43 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.38 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 6.65 2.35 0.13 -0.52 1.02 -1.26 -4.84 119.74 123.27 2ami s LYS 44 Ca 0.60 -0.60 -0.10 0.00 0.02 0.00 0.00 55.97 55.89 2ami s LYS 44 Cb 0.10 -5.11 0.13 0.00 -0.52 0.00 0.00 37.83 32.43 2ami s LYS 44 CO 0.27 -3.87 0.87 1.17 -0.92 0.00 0.00 175.35 172.87 2ami n LYS 45 N 8.57 -0.14 -0.02 1.68 4.81 -1.26 -0.07 118.16 131.74 2ami n LYS 45 Ca 0.43 0.86 -0.10 0.00 -0.87 0.00 0.00 58.31 58.62 2ami n LYS 45 Cb 0.46 -1.27 -0.04 0.00 0.02 0.00 0.00 35.03 34.20 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 0.17 -0.48 1.64 3.07 -1.99 0.90 114.58 117.88 2ami h GLU 46 Ca 0.19 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.99 2ami h GLU 46 Cb 0.33 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 2ami h GLU 46 CO -0.55 0.11 0.12 0.93 -1.40 0.00 0.00 179.01 178.21 2ami h GLU 47 N 0.17 0.77 -0.09 2.33 5.08 -0.88 -0.41 114.58 121.54 2ami h GLU 47 Ca 0.05 -0.19 0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2ami h GLU 47 Cb -0.01 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 2ami h GLU 47 CO -0.02 0.75 -0.20 0.82 -1.00 0.00 0.00 179.01 179.35 2ami h ILE 48 N 0.65 0.50 -0.28 3.13 1.08 -0.61 0.93 117.51 122.90 2ami h ILE 48 Ca 0.15 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.65 2ami h ILE 48 Cb 0.33 0.50 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 2ami h ILE 48 CO 0.00 0.00 0.11 0.11 -0.69 0.00 0.00 178.15 177.68 2ami h LYS 49 N -0.28 0.24 0.08 2.37 1.57 -0.62 0.72 116.57 120.65 2ami h LYS 49 Ca 0.09 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2ami h LYS 49 Cb 0.40 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 2ami h LYS 49 CO -0.25 0.16 -0.29 -0.22 -0.57 0.00 0.00 179.45 178.27 2ami h LYS 50 N 0.25 -0.47 0.04 3.15 3.11 -0.66 0.09 116.57 122.08 2ami h LYS 50 Ca 0.12 0.03 0.02 0.00 -2.81 0.00 0.00 60.65 58.02 2ami h LYS 50 Cb 0.08 0.11 -0.03 0.00 -1.00 0.00 0.00 32.23 31.39 2ami h LYS 50 CO -0.11 -0.31 -0.17 1.98 -2.81 0.00 0.00 179.45 178.03 2ami h MET 51 N -0.48 -0.28 -0.60 1.90 4.05 -0.56 -0.08 114.93 118.87 2ami h MET 51 Ca 0.04 0.02 0.12 0.00 -0.28 0.00 0.00 59.70 59.60 2ami h MET 51 Cb 0.53 0.06 -0.11 0.00 -0.80 0.00 0.00 31.60 31.29 2ami h MET 51 CO -0.20 -0.19 -0.11 0.82 0.23 0.00 0.00 176.91 177.46 2ami h ILE 52 N -0.29 0.42 -0.10 1.77 2.04 -0.63 0.12 117.51 120.84 2ami h ILE 52 Ca 0.04 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.90 2ami h ILE 52 Cb 0.34 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2ami h ILE 52 CO -0.13 0.00 0.03 0.28 0.00 0.00 0.00 178.15 178.34 2ami h SER 53 N 0.02 0.03 -0.65 1.72 0.02 -0.19 0.28 113.55 114.78 2ami h SER 53 Ca 0.29 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.32 2ami h SER 53 Cb 0.46 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.95 2ami h SER 53 CO -0.59 0.03 0.35 -0.33 -1.14 0.00 0.00 176.83 175.15 2ami h GLU 54 N 0.08 0.63 -0.14 3.45 5.08 0.10 -2.50 114.58 121.28 2ami h GLU 54 Ca 0.04 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 2ami h GLU 54 Cb 0.03 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2ami h GLU 54 CO -0.05 0.42 -0.58 0.82 -1.00 0.00 0.00 179.01 178.62 2ami h ILE 55 N 0.65 1.34 0.00 3.13 1.08 -0.45 -3.37 117.51 119.89 2ami h ILE 55 Ca 0.29 -1.87 -0.69 0.00 -0.39 0.00 0.00 64.86 62.20 2ami h ILE 55 Cb 0.19 1.86 -0.02 0.00 -3.07 0.00 0.00 36.82 35.79 2ami h ILE 55 CO -0.19 0.57 3.21 -0.67 -0.69 0.00 0.00 178.15 180.39 2ami n ASP 56 N -3.93 4.73 -0.29 1.72 2.03 0.95 -4.74 116.55 117.01 2ami n ASP 56 Ca -0.03 -2.77 0.28 0.00 0.52 0.00 0.00 54.79 52.79 2ami n ASP 56 Cb 0.61 -1.60 0.63 0.00 -0.72 0.00 0.00 41.12 40.04 2ami n ASP 56 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2ami h LYS 57 N 5.94 0.19 0.00 -0.67 1.79 -1.76 0.10 116.57 122.15 2ami h LYS 57 Ca 0.62 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.08 2ami h LYS 57 Cb 0.57 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2ami h LYS 57 CO 1.87 0.12 -0.65 0.38 -1.08 0.00 0.00 179.45 180.10 2ami h ASP 58 N 0.19 0.00 0.00 0.86 3.04 -1.93 -3.48 116.42 115.10 2ami h ASP 58 Ca 0.55 -0.08 0.00 0.00 -3.24 0.00 0.00 57.03 54.26 2ami h ASP 58 Cb 1.79 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.08 2ami h ASP 58 CO -0.14 0.04 0.00 0.61 -2.04 0.00 0.00 179.24 177.71 2ami n GLY 59 N 1.23 0.45 1.49 7.15 0.00 0.36 -4.92 105.19 110.94 2ami n GLY 59 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2ami n GLY 59 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ami n SER 60 N -0.13 5.13 -2.46 1.61 2.88 -1.26 -4.76 113.62 114.62 2ami n SER 60 Ca 0.00 -2.36 -0.06 0.00 -1.33 0.00 0.00 58.87 55.12 2ami n SER 60 Cb 0.07 -1.08 -0.00 0.00 -0.75 0.00 0.00 64.21 62.45 2ami n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ami n GLY 61 N 1.47 -0.49 3.45 0.46 0.00 -1.26 -4.88 105.19 103.94 2ami n GLY 61 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.27 0.03 -0.45 2.61 -4.23 -1.26 -4.42 115.64 105.65 2ami s THR 62 Ca 0.00 -0.44 -0.14 0.00 -1.18 0.00 0.00 61.69 59.93 2ami s THR 62 Cb 0.00 -1.27 0.06 0.00 1.34 0.00 0.00 72.50 72.63 2ami s THR 62 CO 0.00 -0.12 0.34 -0.63 -0.54 0.00 0.00 174.62 173.67 2ami s ILE 63 N -3.81 5.06 0.71 2.99 -1.09 0.45 -4.72 121.20 120.79 2ami s ILE 63 Ca 0.04 -1.01 -0.15 0.00 -2.23 0.00 0.00 60.65 57.31 2ami s ILE 63 Cb -0.01 -3.97 0.03 0.00 -1.58 0.00 0.00 42.46 36.93 2ami s ILE 63 CO -0.09 -0.49 1.16 -0.62 -1.23 0.00 0.00 174.94 173.68 2ami s ASP 64 N 2.27 4.55 0.22 3.58 2.15 -1.26 -0.60 116.67 127.58 2ami s ASP 64 Ca 0.04 2.19 -0.15 0.00 0.43 0.00 0.00 52.55 55.05 2ami s ASP 64 Cb -0.23 -2.57 0.26 0.00 -0.30 0.00 0.00 42.92 40.08 2ami s ASP 64 CO 0.07 -2.02 1.58 0.15 -0.17 0.00 0.00 175.17 174.78 2ami h PHE 65 N -0.23 -0.71 -0.29 -5.34 3.57 -1.99 0.11 116.94 112.06 2ami h PHE 65 Ca -0.47 0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.05 2ami h PHE 65 Cb 1.27 0.43 -0.02 0.00 2.79 0.00 0.00 35.95 40.42 2ami h PHE 65 CO 0.51 -0.37 -0.05 0.93 -2.23 0.00 0.00 178.31 177.09 2ami h GLU 66 N -0.05 0.47 -0.38 1.11 4.39 -1.96 0.18 114.58 118.33 2ami h GLU 66 Ca 0.33 -0.11 -0.10 0.00 0.34 0.00 0.00 59.36 59.82 2ami h GLU 66 Cb 0.58 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2ami h GLU 66 CO -0.81 0.54 -0.14 0.93 -1.16 0.00 0.00 179.01 178.36 2ami h GLU 67 N 0.44 0.77 -0.45 2.33 5.08 -1.30 0.99 114.58 122.46 2ami h GLU 67 Ca 0.09 -0.32 0.02 0.00 -1.00 0.00 0.00 59.36 58.15 2ami h GLU 67 Cb 0.38 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2ami h GLU 67 CO 0.02 0.93 0.27 0.35 -1.00 0.00 0.00 179.01 179.58 2ami h PHE 68 N 0.57 0.51 -0.45 4.33 3.57 -0.25 0.72 116.94 125.95 2ami h PHE 68 Ca 0.09 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.68 2ami h PHE 68 Cb 0.68 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.19 2ami h PHE 68 CO 0.05 0.30 0.08 1.25 -2.23 0.00 0.00 178.31 177.77 2ami h LEU 69 N 0.55 -0.01 -0.14 0.59 6.46 -0.42 0.86 115.31 123.20 2ami h LEU 69 Ca 0.17 0.08 0.02 0.00 -0.12 0.00 0.00 57.88 58.04 2ami h LEU 69 Cb -0.01 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 2ami h LEU 69 CO -0.07 0.03 0.02 0.74 -0.62 0.00 0.00 178.44 178.53 2ami h THR 70 N 0.21 0.92 -0.09 1.05 2.02 -0.20 0.13 112.91 116.96 2ami h THR 70 Ca 0.22 -0.03 0.04 0.00 0.77 0.00 0.00 66.41 67.42 2ami h THR 70 Cb 0.29 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 2ami h THR 70 CO -0.30 0.01 -0.19 -0.03 0.37 0.00 0.00 175.52 175.38 2ami h MET 71 N 0.07 -0.26 -0.32 6.66 1.85 -0.20 0.65 114.93 123.39 2ami h MET 71 Ca 0.07 0.02 0.06 0.00 -0.61 0.00 0.00 59.70 59.23 2ami h MET 71 Cb 0.07 0.06 -0.05 0.00 0.43 0.00 0.00 31.60 32.10 2ami h MET 71 CO -0.10 -0.17 -0.00 0.52 -0.40 0.00 0.00 176.91 176.76 2ami h MET 72 N -0.26 0.09 -0.45 0.39 2.07 -0.56 0.62 114.93 116.82 2ami h MET 72 Ca 0.09 -0.01 0.08 0.00 -2.07 0.00 0.00 59.70 57.79 2ami h MET 72 Cb 0.39 -0.02 -0.07 0.00 -1.87 0.00 0.00 31.60 30.03 2ami h MET 72 CO -0.24 0.06 0.06 1.15 1.07 0.00 0.00 176.91 179.00 2ami h THR 73 N 0.09 0.72 -0.69 2.22 2.02 -0.26 0.14 112.91 117.15 2ami h THR 73 Ca 0.15 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 2ami h THR 73 Cb 0.21 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 2ami h THR 73 CO -0.26 0.03 0.32 0.00 0.37 0.00 0.00 175.52 175.98 2ami h ALA 74 N 1.36 0.89 -0.27 6.16 0.00 -0.07 -3.10 119.26 124.23 2ami h ALA 74 Ca 0.22 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2ami h ALA 74 Cb 0.30 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2ami h ALA 74 CO -0.32 0.47 -0.15 0.87 0.00 0.00 0.00 179.25 180.12 2ami h LYS 75 N 0.97 0.58 0.00 0.00 1.57 -0.25 -3.51 116.57 115.93 2ami h LYS 75 Ca 0.24 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2ami h LYS 75 Cb 0.15 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2ami h LYS 75 CO -0.03 0.83 0.00 -1.33 -0.57 0.00 0.00 179.45 178.36