#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 2.84 0.00 8.89 -7.23 -1.26 -4.72 120.40 118.93 2ami s VAL 2 Ca 0.00 0.27 0.00 0.00 -1.81 0.00 0.00 61.98 60.44 2ami s VAL 2 Cb 0.00 -3.05 0.00 0.00 0.56 0.00 0.00 36.38 33.89 2ami s VAL 2 CO 0.00 -0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.04 2ami n GLY 3 N -2.25 -1.09 3.55 2.32 0.00 -1.26 -4.56 105.19 101.90 2ami n GLY 3 Ca 0.07 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 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 3.29 0.86 0.99 1.43 -1.25 -5.00 118.68 119.00 2ami s LEU 4 Ca 0.00 -0.67 -0.11 0.00 -1.03 0.00 0.00 54.13 52.33 2ami s LEU 4 Cb 0.00 -2.56 0.11 0.00 0.03 0.00 0.00 46.19 43.77 2ami s LEU 4 CO 0.00 -1.94 1.11 0.42 0.23 0.00 0.00 176.35 176.17 2ami s THR 5 N 6.60 2.67 0.33 5.49 -4.23 -1.26 -4.75 115.64 120.48 2ami s THR 5 Ca 0.48 0.22 0.04 0.00 -1.18 0.00 0.00 61.69 61.25 2ami s THR 5 Cb -0.06 -2.49 0.30 0.00 1.34 0.00 0.00 72.50 71.59 2ami s THR 5 CO 0.06 -0.28 1.90 -0.08 -0.54 0.00 0.00 174.62 175.68 2ami h GLU 6 N -1.56 0.84 0.13 3.99 4.57 -1.98 0.10 114.58 120.66 2ami h GLU 6 Ca -0.45 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 57.69 2ami h GLU 6 Cb 1.26 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.63 2ami h GLU 6 CO 0.48 0.55 -0.21 0.93 -1.18 0.00 0.00 179.01 179.57 2ami h GLU 7 N 0.86 -0.40 -0.62 1.92 4.39 -2.00 0.12 114.58 118.85 2ami h GLU 7 Ca 0.40 0.03 0.07 0.00 0.34 0.00 0.00 59.36 60.20 2ami h GLU 7 Cb 0.41 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.09 2ami h GLU 7 CO -0.17 -0.26 0.30 1.96 -1.16 0.00 0.00 179.01 179.68 2ami h GLN 8 N -0.41 0.53 -0.75 2.33 4.20 -1.60 -1.37 115.11 118.03 2ami h GLN 8 Ca 0.02 -0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.81 2ami h GLN 8 Cb 0.43 -0.12 -0.08 0.00 0.30 0.00 0.00 27.48 28.00 2ami h GLN 8 CO -0.11 0.35 0.36 -0.22 -0.67 0.00 0.00 178.83 178.55 2ami h LYS 9 N 0.55 0.57 0.21 1.46 3.64 -0.10 0.19 116.57 123.09 2ami h LYS 9 Ca 0.29 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2ami h LYS 9 Cb 0.26 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2ami h LYS 9 CO -0.23 0.38 -0.18 1.96 -2.27 0.00 0.00 179.45 179.11 2ami h GLN 10 N 0.58 -0.39 -0.67 1.90 1.08 0.24 0.40 115.11 118.25 2ami h GLN 10 Ca 0.39 0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.69 2ami h GLN 10 Cb 0.47 0.09 -0.07 0.00 -0.05 0.00 0.00 27.48 27.92 2ami h GLN 10 CO -0.31 -0.26 0.34 0.93 -0.95 0.00 0.00 178.83 178.57 2ami h GLU 11 N -0.40 0.57 -0.46 1.46 4.39 -0.37 0.63 114.58 120.40 2ami h GLU 11 Ca -0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2ami h GLU 11 Cb 0.36 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 2ami h GLU 11 CO -0.02 0.38 0.29 0.82 -1.16 0.00 0.00 179.01 179.32 2ami h ILE 12 N 0.59 1.13 0.09 3.13 2.04 -0.38 0.11 117.51 124.22 2ami h ILE 12 Ca 0.32 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.92 2ami h ILE 12 Cb 0.31 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2ami h ILE 12 CO -0.24 0.13 -0.15 -0.09 0.00 0.00 0.00 178.15 177.80 2ami h ARG 13 N 0.62 -0.28 -0.22 2.37 9.65 0.03 0.15 114.38 126.70 2ami h ARG 13 Ca 0.17 0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.12 2ami h ARG 13 Cb -0.04 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.56 2ami h ARG 13 CO -0.03 -0.19 -0.11 0.93 2.80 0.00 0.00 179.97 183.37 2ami h GLU 14 N -0.30 -0.08 -0.22 0.20 4.39 -0.51 0.79 114.58 118.85 2ami h GLU 14 Ca 0.02 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.77 2ami h GLU 14 Cb 0.31 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 2ami h GLU 14 CO -0.08 -0.05 -0.04 0.00 -1.16 0.00 0.00 179.01 177.68 2ami h ALA 15 N 1.10 0.16 -0.15 3.43 0.00 -0.64 0.21 119.26 123.38 2ami h ALA 15 Ca 0.12 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2ami h ALA 15 Cb 0.26 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 2ami h ALA 15 CO -0.27 -0.46 -0.25 0.35 0.00 0.00 0.00 179.25 178.62 2ami h PHE 16 N 0.02 -0.68 -0.12 0.00 3.57 -0.10 0.85 116.94 120.48 2ami h PHE 16 Ca 0.11 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.67 2ami h PHE 16 Cb 0.16 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 2ami h PHE 16 CO -0.22 -0.34 -0.07 -0.44 -2.23 0.00 0.00 178.31 175.01 2ami h ASP 17 N -0.31 -0.24 0.05 0.41 3.32 -0.45 0.16 116.42 119.36 2ami h ASP 17 Ca 0.11 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.23 2ami h ASP 17 Cb 0.47 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 2ami h ASP 17 CO -0.33 -0.10 -0.14 0.25 -1.72 0.00 0.00 179.24 177.20 2ami h LEU 18 N -0.07 -0.39 -1.07 1.55 6.46 -0.56 -2.58 115.31 118.64 2ami h LEU 18 Ca 0.07 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 2ami h LEU 18 Cb 0.18 0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.22 2ami h LEU 18 CO -0.17 -0.20 0.56 -0.26 -0.62 0.00 0.00 178.44 177.75 2ami h PHE 19 N -0.26 1.15 0.00 1.25 0.04 -0.55 -2.31 116.94 116.26 2ami h PHE 19 Ca 0.03 0.01 -0.41 0.00 2.80 0.00 0.00 57.97 60.40 2ami h PHE 19 Cb 0.29 -0.38 0.01 0.00 2.20 0.00 0.00 35.95 38.07 2ami h PHE 19 CO -0.17 0.74 2.45 -3.47 -0.60 0.00 0.00 178.31 177.27 2ami n ASP 20 N -4.38 5.79 0.13 2.17 2.03 0.54 -4.64 116.55 118.20 2ami n ASP 20 Ca 0.10 -2.37 0.05 0.00 0.52 0.00 0.00 54.79 53.10 2ami n ASP 20 Cb 0.04 -1.21 0.51 0.00 -0.72 0.00 0.00 41.12 39.74 2ami n ASP 20 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2ami h THR 21 N 3.10 1.08 0.00 5.18 2.02 -1.49 0.12 112.91 122.92 2ami h THR 21 Ca 0.54 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.46 2ami h THR 21 Cb 0.36 0.86 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2ami h THR 21 CO 1.33 0.09 -0.10 -0.78 0.37 0.00 0.00 175.52 176.43 2ami h ASP 22 N 0.25 0.00 -1.80 4.18 3.58 -1.88 -3.47 116.42 117.28 2ami h ASP 22 Ca 0.07 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.40 2ami h ASP 22 Cb 0.05 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.13 2ami h ASP 22 CO -0.01 0.10 -0.18 0.61 -2.88 0.00 0.00 179.24 176.88 2ami n GLY 23 N -0.25 0.37 0.00 -0.78 0.00 0.41 -4.94 105.19 100.00 2ami n GLY 23 Ca -0.01 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 0.45 0.00 -0.13 1.61 7.64 -1.26 -4.86 113.62 117.06 2ami n SER 24 Ca -0.03 -1.05 -0.02 0.00 1.01 0.00 0.00 58.87 58.79 2ami n SER 24 Cb 0.53 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.72 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 0.73 0.26 3.53 0.23 0.00 -1.26 -4.90 105.19 103.77 2ami n GLY 25 Ca 0.18 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.34 0.00 -0.44 2.61 -4.23 -1.26 -4.52 115.64 106.46 2ami s THR 26 Ca 0.00 -0.03 -0.23 0.00 -1.18 0.00 0.00 61.69 60.25 2ami s THR 26 Cb 0.00 -0.92 0.02 0.00 1.34 0.00 0.00 72.50 72.94 2ami s THR 26 CO 0.00 -0.02 0.80 -0.63 -0.54 0.00 0.00 174.62 174.23 2ami s ILE 27 N -0.22 4.64 0.57 2.99 1.01 -0.04 -4.73 121.20 125.42 2ami s ILE 27 Ca -0.04 0.55 -0.21 0.00 0.00 0.00 0.00 60.65 60.94 2ami s ILE 27 Cb -0.03 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 2ami s ILE 27 CO 0.04 -0.68 1.33 -0.62 0.00 0.00 0.00 174.94 175.01 2ami s ASP 28 N 2.10 5.16 0.28 3.58 2.15 -1.26 0.06 116.67 128.73 2ami s ASP 28 Ca 0.31 2.71 -0.04 0.00 0.43 0.00 0.00 52.55 55.96 2ami s ASP 28 Cb -0.12 -2.63 0.57 0.00 -0.30 0.00 0.00 42.92 40.44 2ami s ASP 28 CO 0.22 -1.64 1.52 0.00 -0.17 0.00 0.00 175.17 175.10 2ami n ALA 29 N -1.22 0.35 -0.14 3.66 0.00 -0.10 -0.13 120.51 122.93 2ami n ALA 29 Ca 0.12 1.06 -0.07 0.00 0.00 0.00 0.00 53.44 54.54 2ami n ALA 29 Cb 0.46 -0.69 0.01 0.00 0.00 0.00 0.00 19.45 19.23 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 0.52 -0.57 0.00 1.57 -1.90 0.71 116.57 116.90 2ami h LYS 30 Ca 0.52 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.24 2ami h LYS 30 Cb 0.92 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.09 2ami h LYS 30 CO -0.96 0.35 0.25 0.93 -0.57 0.00 0.00 179.45 179.44 2ami h GLU 31 N 0.54 0.82 -0.52 3.15 5.08 -0.85 0.35 114.58 123.15 2ami h GLU 31 Ca 0.17 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2ami h GLU 31 Cb -0.02 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2ami h GLU 31 CO -0.06 0.66 0.03 1.25 -1.00 0.00 0.00 179.01 179.88 2ami h LEU 32 N 0.81 0.87 -0.16 1.33 5.85 0.13 0.15 115.31 124.29 2ami h LEU 32 Ca 0.20 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.65 2ami h LEU 32 Cb 0.13 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2ami h LEU 32 CO -0.02 0.95 0.01 0.50 -0.34 0.00 0.00 178.44 179.54 2ami h LYS 33 N 0.76 0.07 -0.32 1.25 3.11 -0.35 0.11 116.57 121.20 2ami h LYS 33 Ca 0.15 -0.00 0.07 0.00 -2.81 0.00 0.00 60.65 58.06 2ami h LYS 33 Cb 0.48 -0.01 -0.07 0.00 -1.00 0.00 0.00 32.23 31.63 2ami h LYS 33 CO 0.02 0.04 -0.16 0.28 -2.81 0.00 0.00 179.45 176.82 2ami h VAL 34 N 0.07 0.52 0.09 2.00 2.07 -0.71 0.63 116.25 120.91 2ami h VAL 34 Ca 0.07 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.61 2ami h VAL 34 Cb 0.08 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 2ami h VAL 34 CO -0.11 0.00 -0.34 0.00 0.02 0.00 0.00 177.57 177.14 2ami h ALA 35 N 1.12 -0.57 -0.58 1.67 0.00 -0.21 0.94 119.26 121.65 2ami h ALA 35 Ca 0.16 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.11 2ami h ALA 35 Cb 0.36 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 2ami h ALA 35 CO -0.39 -0.88 0.24 0.52 0.00 0.00 0.00 179.25 178.73 2ami h MET 36 N -0.55 0.42 -0.27 0.00 2.07 -0.53 0.21 114.93 116.28 2ami h MET 36 Ca 0.04 -0.03 0.02 0.00 -2.07 0.00 0.00 59.70 57.66 2ami h MET 36 Cb 0.59 -0.10 -0.03 0.00 -1.87 0.00 0.00 31.60 30.20 2ami h MET 36 CO -0.22 0.28 0.11 -0.09 1.07 0.00 0.00 176.91 178.06 2ami h ARG 37 N 0.43 0.24 -0.94 1.72 9.65 -0.28 0.67 114.38 125.88 2ami h ARG 37 Ca 0.28 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 59.19 2ami h ARG 37 Cb 0.31 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 28.78 2ami h ARG 37 CO -0.26 0.16 0.61 0.00 2.80 0.00 0.00 179.97 183.28 2ami h ALA 38 N 1.16 1.41 0.00 2.80 0.00 0.02 1.00 119.26 125.65 2ami h ALA 38 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2ami h ALA 38 Cb 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2ami h ALA 38 CO -0.10 0.49 0.00 1.28 0.00 0.00 0.00 179.25 180.92 2ami n LEU 39 N -4.45 0.00 0.00 0.00 4.77 0.65 -4.86 117.00 113.12 2ami n LEU 39 Ca 0.13 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2ami n LEU 39 Cb 0.12 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2ami n LEU 39 CO 0.34 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2ami n GLY 40 N 0.01 0.59 3.82 -0.72 0.00 0.35 -5.04 105.19 104.20 2ami n GLY 40 Ca 0.12 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 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 3.08 -0.39 1.61 0.40 0.15 -4.99 117.98 115.84 2ami s PHE 41 Ca 0.00 1.28 -0.08 0.00 -0.60 0.00 0.00 56.93 57.53 2ami s PHE 41 Cb 0.00 -2.97 0.07 0.00 0.51 0.00 0.00 43.02 40.64 2ami s PHE 41 CO 0.00 -1.36 0.21 -1.83 0.70 0.00 0.00 175.22 172.94 2ami s GLU 42 N -5.12 2.54 -0.75 0.44 -1.05 -1.26 -4.42 118.70 109.08 2ami s GLU 42 Ca 0.59 -1.42 -0.22 0.00 -0.15 0.00 0.00 54.97 53.76 2ami s GLU 42 Cb -0.14 -3.67 -0.21 0.00 -0.44 0.00 0.00 34.13 29.67 2ami s GLU 42 CO 0.54 -0.89 1.82 -2.30 0.95 0.00 0.00 175.26 175.39 2ami n PRO 43 N 4.85 0.06 -1.89 -4.83 -0.02 -1.26 -4.84 135.00 127.06 2ami n PRO 43 Ca -0.10 -1.29 -0.23 0.00 -2.02 0.00 0.00 63.50 59.86 2ami n PRO 43 Cb 0.43 -3.21 -0.08 0.00 -0.02 0.00 0.00 33.50 30.62 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 7.64 2.02 0.12 -0.52 1.02 -1.26 -4.84 119.74 123.91 2ami s LYS 44 Ca 0.65 -0.80 -0.14 0.00 0.02 0.00 0.00 55.97 55.70 2ami s LYS 44 Cb -0.02 -5.13 0.06 0.00 -0.52 0.00 0.00 37.83 32.23 2ami s LYS 44 CO 0.17 -4.47 0.91 1.63 -0.92 0.00 0.00 175.35 172.66 2ami n LYS 45 N 8.31 -0.19 -0.03 1.68 5.02 -1.26 0.12 118.16 131.80 2ami n LYS 45 Ca 0.43 0.89 -0.08 0.00 -2.02 0.00 0.00 58.31 57.53 2ami n LYS 45 Cb 0.47 -1.32 -0.02 0.00 -0.02 0.00 0.00 35.03 34.13 2ami n LYS 45 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2ami h GLU 46 N 0.00 -0.09 -0.48 1.97 4.81 -1.99 0.80 114.58 119.60 2ami h GLU 46 Ca 0.15 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.28 2ami h GLU 46 Cb 0.30 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2ami h GLU 46 CO -0.57 -0.06 -0.14 0.93 -0.73 0.00 0.00 179.01 178.44 2ami h GLU 47 N -0.09 0.94 0.01 1.92 4.39 -0.72 0.38 114.58 121.41 2ami h GLU 47 Ca 0.10 -0.37 0.03 0.00 0.34 0.00 0.00 59.36 59.46 2ami h GLU 47 Cb 0.25 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 2ami h GLU 47 CO -0.24 1.03 -0.29 0.82 -1.16 0.00 0.00 179.01 179.17 2ami h ILE 48 N 0.78 0.36 0.02 3.13 1.08 -0.76 0.86 117.51 122.99 2ami h ILE 48 Ca 0.12 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.61 2ami h ILE 48 Cb 0.70 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.78 2ami h ILE 48 CO 0.05 0.00 -0.17 0.50 -0.69 0.00 0.00 178.15 177.84 2ami h LYS 49 N -0.45 -0.28 0.12 2.37 3.11 -0.50 0.20 116.57 121.14 2ami h LYS 49 Ca 0.06 0.02 0.02 0.00 -2.81 0.00 0.00 60.65 57.94 2ami h LYS 49 Cb 0.53 0.06 -0.05 0.00 -1.00 0.00 0.00 32.23 31.77 2ami h LYS 49 CO -0.24 -0.19 -0.44 0.87 -2.81 0.00 0.00 179.45 176.65 2ami h LYS 50 N -0.29 -0.65 -0.14 1.90 1.79 -0.74 0.69 116.57 119.12 2ami h LYS 50 Ca 0.05 0.04 0.05 0.00 -2.18 0.00 0.00 60.65 58.61 2ami h LYS 50 Cb 0.35 0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 31.09 2ami h LYS 50 CO -0.15 -0.43 -0.29 1.98 -1.08 0.00 0.00 179.45 179.48 2ami h MET 51 N -0.67 -0.35 -0.44 3.15 4.05 -0.56 0.88 114.93 120.99 2ami h MET 51 Ca 0.02 0.02 0.09 0.00 -0.28 0.00 0.00 59.70 59.55 2ami h MET 51 Cb 0.69 0.08 -0.08 0.00 -0.80 0.00 0.00 31.60 31.49 2ami h MET 51 CO -0.25 -0.23 -0.08 0.82 0.23 0.00 0.00 176.91 177.40 2ami h ILE 52 N -0.36 0.59 -0.31 1.77 2.04 -0.74 0.04 117.51 120.53 2ami h ILE 52 Ca 0.10 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.99 2ami h ILE 52 Cb 0.52 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2ami h ILE 52 CO -0.35 0.00 0.09 0.28 0.00 0.00 0.00 178.15 178.18 2ami h SER 53 N 0.03 0.09 -0.78 1.72 0.02 0.39 0.27 113.55 115.28 2ami h SER 53 Ca 0.21 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.23 2ami h SER 53 Cb 0.32 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.85 2ami h SER 53 CO -0.43 0.08 0.50 -0.33 -1.14 0.00 0.00 176.83 175.52 2ami h GLU 54 N 0.22 0.96 -0.04 3.45 4.39 -0.08 -2.27 114.58 121.21 2ami h GLU 54 Ca 0.14 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.66 2ami h GLU 54 Cb 0.12 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2ami h GLU 54 CO -0.16 0.64 -0.55 0.82 -1.16 0.00 0.00 179.01 178.60 2ami h ILE 55 N 0.99 1.38 -0.28 3.13 1.08 -0.35 -3.40 117.51 120.06 2ami h ILE 55 Ca 0.31 -1.87 -0.48 0.00 -0.39 0.00 0.00 64.86 62.43 2ami h ILE 55 Cb -0.02 1.96 -0.00 0.00 -3.07 0.00 0.00 36.82 35.70 2ami h ILE 55 CO -0.10 0.54 1.63 -0.67 -0.69 0.00 0.00 178.15 178.87 2ami n ASP 56 N -3.90 2.90 0.09 1.72 -0.08 0.89 -4.53 116.55 113.63 2ami n ASP 56 Ca -0.02 -2.70 -0.17 0.00 -1.51 0.00 0.00 54.79 50.39 2ami n ASP 56 Cb 0.57 -1.47 -0.14 0.00 2.34 0.00 0.00 41.12 42.41 2ami n ASP 56 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2ami h LYS 57 N 8.86 0.29 -0.02 -0.67 1.63 -1.81 -3.41 116.57 121.44 2ami h LYS 57 Ca 0.31 -0.50 -0.15 0.00 -0.85 0.00 0.00 60.65 59.46 2ami h LYS 57 Cb 0.82 0.19 -0.23 0.00 -0.60 0.00 0.00 32.23 32.41 2ami h LYS 57 CO 1.55 1.20 -0.57 -0.40 -3.45 0.00 0.00 179.45 177.78 2ami n ASP 58 N -3.52 -0.26 -0.11 4.20 5.75 -1.26 -4.95 116.55 116.40 2ami n ASP 58 Ca -0.13 -2.02 -0.15 0.00 -0.01 0.00 0.00 54.79 52.48 2ami n ASP 58 Cb 1.04 0.10 -0.12 0.00 -1.03 0.00 0.00 41.12 41.11 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 0.02 -0.47 3.95 6.12 0.00 -1.26 -4.70 105.19 108.85 2ami n GLY 59 Ca -0.15 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.08 -3.14 0.00 1.61 3.41 -1.26 -0.98 113.62 110.18 2ami n SER 60 Ca -0.40 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 2ami n SER 60 Cb 0.99 -2.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.44 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 -2.00 1.99 3.76 5.00 0.00 -1.26 -5.02 105.19 107.67 2ami n GLY 61 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.58 2.12 -0.26 2.61 -4.23 -0.15 -0.92 115.64 112.24 2ami s THR 62 Ca 0.00 -1.70 -0.04 0.00 -1.18 0.00 0.00 61.69 58.77 2ami s THR 62 Cb 0.00 -2.82 0.01 0.00 1.34 0.00 0.00 72.50 71.03 2ami s THR 62 CO 0.00 0.00 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.44 2ami s ILE 63 N -2.65 3.37 0.68 2.99 -1.09 0.11 -4.22 121.20 120.39 2ami s ILE 63 Ca 0.37 -0.78 -0.14 0.00 -2.23 0.00 0.00 60.65 57.87 2ami s ILE 63 Cb 0.03 -2.68 0.01 0.00 -1.58 0.00 0.00 42.46 38.24 2ami s ILE 63 CO 0.21 0.21 1.09 -0.62 -1.23 0.00 0.00 174.94 174.60 2ami s ASP 64 N 1.42 5.10 0.25 3.58 2.15 -1.26 -0.86 116.67 127.06 2ami s ASP 64 Ca 0.02 1.90 -0.03 0.00 0.43 0.00 0.00 52.55 54.87 2ami s ASP 64 Cb -0.16 -2.54 0.49 0.00 -0.30 0.00 0.00 42.92 40.41 2ami s ASP 64 CO -0.02 -1.63 1.75 0.15 -0.17 0.00 0.00 175.17 175.25 2ami h PHE 65 N -0.23 0.64 -0.45 -5.34 3.57 -1.99 0.43 116.94 113.57 2ami h PHE 65 Ca -0.46 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.12 2ami h PHE 65 Cb 1.24 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.77 2ami h PHE 65 CO 0.57 0.13 0.22 0.93 -2.23 0.00 0.00 178.31 177.92 2ami h GLU 66 N 0.54 0.42 -0.21 1.11 5.08 -1.98 0.16 114.58 119.70 2ami h GLU 66 Ca 0.43 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.76 2ami h GLU 66 Cb 0.63 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2ami h GLU 66 CO -0.38 0.28 0.09 0.93 -1.00 0.00 0.00 179.01 178.93 2ami h GLU 67 N 0.43 0.31 -0.00 2.33 5.08 -1.58 0.98 114.58 122.14 2ami h GLU 67 Ca 0.19 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 2ami h GLU 67 Cb 0.11 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2ami h GLU 67 CO -0.14 0.37 -0.12 0.35 -1.00 0.00 0.00 179.01 178.47 2ami h PHE 68 N 0.19 -0.30 -0.60 4.33 3.57 -0.61 0.43 116.94 123.95 2ami h PHE 68 Ca 0.07 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.68 2ami h PHE 68 Cb 0.17 0.13 -0.08 0.00 2.79 0.00 0.00 35.95 38.97 2ami h PHE 68 CO -0.01 -0.18 0.18 1.25 -2.23 0.00 0.00 178.31 177.32 2ami h LEU 69 N -0.20 0.11 -0.28 0.59 5.85 -0.58 -0.53 115.31 120.27 2ami h LEU 69 Ca 0.04 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.88 2ami h LEU 69 Cb 0.25 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2ami h LEU 69 CO -0.12 0.07 0.12 0.74 -0.34 0.00 0.00 178.44 178.92 2ami h THR 70 N 0.33 0.97 -0.25 1.05 2.02 0.03 0.24 112.91 117.29 2ami h THR 70 Ca 0.31 -0.09 0.06 0.00 0.77 0.00 0.00 66.41 67.46 2ami h THR 70 Cb 0.42 0.67 -0.06 0.00 -1.74 0.00 0.00 68.15 67.45 2ami h THR 70 CO -0.35 0.05 -0.14 0.24 0.37 0.00 0.00 175.52 175.69 2ami h MET 71 N 0.27 -0.11 -0.85 6.66 2.86 -0.07 0.14 114.93 123.82 2ami h MET 71 Ca 0.12 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2ami h MET 71 Cb 0.06 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 2ami h MET 71 CO -0.10 -0.08 0.53 0.52 1.06 0.00 0.00 176.91 178.85 2ami h MET 72 N -0.12 1.14 -0.51 1.72 2.07 -0.65 -0.67 114.93 117.91 2ami h MET 72 Ca 0.14 -0.09 -0.00 0.00 -2.07 0.00 0.00 59.70 57.67 2ami h MET 72 Cb 0.32 -0.24 -0.02 0.00 -1.87 0.00 0.00 31.60 29.78 2ami h MET 72 CO -0.32 0.79 0.31 1.15 1.07 0.00 0.00 176.91 179.90 2ami h THR 73 N 1.16 1.16 -0.60 2.22 2.02 0.19 0.20 112.91 119.26 2ami h THR 73 Ca 0.31 -0.36 0.01 0.00 0.77 0.00 0.00 66.41 67.14 2ami h THR 73 Cb -0.08 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 2ami h THR 73 CO -0.06 0.16 0.39 0.00 0.37 0.00 0.00 175.52 176.38 2ami h ALA 74 N 1.15 0.76 -0.49 6.16 0.00 -0.22 -2.67 119.26 123.94 2ami h ALA 74 Ca 0.18 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2ami h ALA 74 Cb -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2ami h ALA 74 CO -0.03 0.16 0.04 0.87 0.00 0.00 0.00 179.25 180.28 2ami h LYS 75 N 0.78 0.85 0.00 0.00 1.57 -0.69 -3.51 116.57 115.56 2ami h LYS 75 Ca 0.23 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2ami h LYS 75 Cb -0.05 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2ami h LYS 75 CO -0.07 0.87 0.00 -1.33 -0.57 0.00 0.00 179.45 178.35