#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 0.12 0.00 5.15 0.11 -1.26 -4.91 120.40 119.61 2ami s VAL 2 Ca 0.00 -0.96 0.00 0.00 -2.93 0.00 0.00 61.98 58.09 2ami s VAL 2 Cb 0.00 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 2ami s VAL 2 CO 0.00 -0.53 0.00 0.61 -3.33 0.00 0.00 175.10 171.85 2ami n GLY 3 N 0.58 1.26 3.66 6.54 0.00 -1.26 -4.90 105.19 111.06 2ami n GLY 3 Ca -0.18 -0.02 -0.52 0.00 0.00 0.00 0.00 46.02 45.30 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 2.48 -4.72 0.99 4.77 -1.26 -4.97 117.00 114.30 2ami n LEU 4 Ca 0.00 1.07 -0.31 0.00 -0.03 0.00 0.00 56.01 56.74 2ami n LEU 4 Cb 0.00 -1.26 0.13 0.00 -2.33 0.00 0.00 43.42 39.96 2ami n LEU 4 CO 0.00 -0.54 0.68 0.42 -1.33 0.00 0.00 177.39 176.62 2ami s THR 5 N 2.07 2.69 0.27 -5.08 -4.23 -1.26 -4.75 115.64 105.34 2ami s THR 5 Ca 0.89 0.22 -0.00 0.00 -1.18 0.00 0.00 61.69 61.62 2ami s THR 5 Cb -0.88 -2.49 0.25 0.00 1.34 0.00 0.00 72.50 70.72 2ami s THR 5 CO 0.51 -0.29 1.78 -0.33 -0.54 0.00 0.00 174.62 175.75 2ami h GLU 6 N -1.53 0.69 0.00 3.99 3.07 -1.99 0.96 114.58 119.78 2ami h GLU 6 Ca -0.44 -0.04 0.03 0.00 -0.50 0.00 0.00 59.36 58.41 2ami h GLU 6 Cb 1.25 -0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 28.97 2ami h GLU 6 CO 0.47 0.46 -0.23 0.93 -1.40 0.00 0.00 179.01 179.24 2ami h GLU 7 N 0.71 -0.35 -0.55 2.33 5.08 -1.99 0.13 114.58 119.95 2ami h GLU 7 Ca 0.47 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.92 2ami h GLU 7 Cb 0.62 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 2ami h GLU 7 CO -0.34 -0.23 0.25 1.96 -1.00 0.00 0.00 179.01 179.66 2ami h GLN 8 N -0.36 0.47 -0.42 2.33 4.20 -1.56 -0.18 115.11 119.59 2ami h GLN 8 Ca 0.06 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.80 2ami h GLN 8 Cb 0.44 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 28.07 2ami h GLN 8 CO -0.20 0.31 0.13 0.87 -0.67 0.00 0.00 178.83 179.27 2ami h LYS 9 N 0.48 0.28 -0.11 1.46 1.57 -0.18 0.65 116.57 120.72 2ami h LYS 9 Ca 0.26 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.05 2ami h LYS 9 Cb 0.22 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 2ami h LYS 9 CO -0.21 0.18 -0.09 1.96 -0.57 0.00 0.00 179.45 180.72 2ami h GLN 10 N 0.29 -0.11 -0.23 3.15 4.20 -0.07 0.18 115.11 122.52 2ami h GLN 10 Ca 0.20 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.97 2ami h GLN 10 Cb 0.20 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.95 2ami h GLN 10 CO -0.22 -0.07 -0.13 0.93 -0.67 0.00 0.00 178.83 178.67 2ami h GLU 11 N -0.11 -0.11 -0.79 1.46 5.08 -0.47 0.64 114.58 120.27 2ami h GLU 11 Ca 0.07 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2ami h GLU 11 Cb 0.22 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 2ami h GLU 11 CO -0.18 -0.07 0.51 0.82 -1.00 0.00 0.00 179.01 179.10 2ami h ILE 12 N -0.11 1.16 0.06 3.13 2.04 -0.54 0.70 117.51 123.94 2ami h ILE 12 Ca 0.13 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2ami h ILE 12 Cb 0.30 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 2ami h ILE 12 CO -0.30 0.19 -0.07 -0.09 0.00 0.00 0.00 178.15 177.88 2ami h ARG 13 N 1.02 -0.15 -0.66 2.37 1.12 0.03 0.12 114.38 118.23 2ami h ARG 13 Ca 0.31 0.01 -0.06 0.00 -1.11 0.00 0.00 59.98 59.13 2ami h ARG 13 Cb -0.05 0.03 -0.03 0.00 -0.01 0.00 0.00 29.97 29.92 2ami h ARG 13 CO -0.09 -0.10 0.20 0.93 -3.11 0.00 0.00 179.97 177.80 2ami h GLU 14 N -0.15 1.03 -0.08 0.20 4.39 -0.36 0.12 114.58 119.73 2ami h GLU 14 Ca 0.01 -0.23 0.03 0.00 0.34 0.00 0.00 59.36 59.51 2ami h GLU 14 Cb 0.15 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 2ami h GLU 14 CO -0.03 0.91 -0.14 0.00 -1.16 0.00 0.00 179.01 178.60 2ami h ALA 15 N 1.08 -0.09 -0.26 3.43 0.00 -0.73 0.19 119.26 122.88 2ami h ALA 15 Ca 0.21 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.22 2ami h ALA 15 Cb 0.31 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 2ami h ALA 15 CO -0.00 -0.60 -0.28 0.35 0.00 0.00 0.00 179.25 178.72 2ami h PHE 16 N -0.19 -0.74 -0.18 0.00 3.57 -0.30 0.23 116.94 119.33 2ami h PHE 16 Ca 0.07 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.67 2ami h PHE 16 Cb 0.29 0.37 -0.06 0.00 2.79 0.00 0.00 35.95 39.34 2ami h PHE 16 CO -0.23 -0.35 -0.22 0.22 -2.23 0.00 0.00 178.31 175.50 2ami h ASP 17 N -0.28 -0.69 -0.05 0.41 1.82 -0.42 0.18 116.42 117.39 2ami h ASP 17 Ca 0.14 0.12 0.03 0.00 -0.39 0.00 0.00 57.03 56.93 2ami h ASP 17 Cb 0.50 0.32 -0.04 0.00 0.68 0.00 0.00 39.33 40.79 2ami h ASP 17 CO -0.42 -0.26 -0.14 0.25 -1.61 0.00 0.00 179.24 177.06 2ami h LEU 18 N -0.25 -0.42 -1.07 2.28 6.46 -0.45 -2.32 115.31 119.54 2ami h LEU 18 Ca 0.12 0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.96 2ami h LEU 18 Cb 0.43 0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 40.50 2ami h LEU 18 CO -0.32 -0.19 0.63 -0.26 -0.62 0.00 0.00 178.44 177.67 2ami h PHE 19 N -0.21 1.19 0.00 1.25 0.04 -0.49 -2.91 116.94 115.82 2ami h PHE 19 Ca 0.07 0.03 -0.54 0.00 2.80 0.00 0.00 57.97 60.32 2ami h PHE 19 Cb 0.30 -0.40 0.02 0.00 2.20 0.00 0.00 35.95 38.07 2ami h PHE 19 CO -0.22 0.74 2.83 -3.47 -0.60 0.00 0.00 178.31 177.59 2ami n ASP 20 N -4.40 4.89 0.14 2.17 2.03 0.58 -4.62 116.55 117.35 2ami n ASP 20 Ca 0.11 -2.52 0.18 0.00 0.52 0.00 0.00 54.79 53.08 2ami n ASP 20 Cb 0.03 -1.26 0.77 0.00 -0.72 0.00 0.00 41.12 39.95 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 3.69 0.51 0.00 5.18 1.35 -1.62 0.12 112.91 122.14 2ami h THR 21 Ca 0.56 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.42 2ami h THR 21 Cb 0.37 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 2ami h THR 21 CO 1.70 0.00 0.00 -0.78 -0.25 0.00 0.00 175.52 176.19 2ami h ASP 22 N 0.00 0.00 -1.00 5.36 3.58 -1.90 -3.47 116.42 119.00 2ami h ASP 22 Ca 0.14 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.26 2ami h ASP 22 Cb 0.73 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 41.66 2ami h ASP 22 CO -0.00 0.00 -0.32 0.61 -2.88 0.00 0.00 179.24 176.65 2ami n GLY 23 N -0.15 1.34 0.04 -0.78 0.00 0.42 -4.87 105.19 101.20 2ami n GLY 23 Ca 0.00 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.68 0.53 0.00 1.61 3.41 -1.26 -4.91 113.62 112.33 2ami n SER 24 Ca -0.17 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2ami n SER 24 Cb 0.55 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 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 1.41 0.64 3.17 5.00 0.00 -1.26 -5.05 105.19 109.09 2ami n GLY 25 Ca 0.05 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.00 -0.49 -0.36 2.61 -4.23 -1.26 -3.63 115.64 106.27 2ami s THR 26 Ca 0.00 0.20 -0.28 0.00 -1.18 0.00 0.00 61.69 60.43 2ami s THR 26 Cb 0.00 -0.57 0.02 0.00 1.34 0.00 0.00 72.50 73.29 2ami s THR 26 CO 0.00 0.08 1.03 -0.63 -0.54 0.00 0.00 174.62 174.56 2ami s ILE 27 N 2.39 4.49 0.56 2.99 1.01 0.24 -4.82 121.20 128.06 2ami s ILE 27 Ca -0.02 1.45 -0.20 0.00 0.00 0.00 0.00 60.65 61.88 2ami s ILE 27 Cb -0.12 -4.41 -0.04 0.00 0.01 0.00 0.00 42.46 37.90 2ami s ILE 27 CO -0.11 -0.58 1.25 -0.62 0.00 0.00 0.00 174.94 174.88 2ami s ASP 28 N 1.87 5.32 0.27 3.58 2.15 -1.26 -0.05 116.67 128.54 2ami s ASP 28 Ca 0.43 2.51 -0.02 0.00 0.43 0.00 0.00 52.55 55.90 2ami s ASP 28 Cb -0.11 -2.61 0.57 0.00 -0.30 0.00 0.00 42.92 40.47 2ami s ASP 28 CO 0.19 -1.52 1.40 0.00 -0.17 0.00 0.00 175.17 175.07 2ami n ALA 29 N -1.27 0.36 -0.12 3.66 0.00 -1.18 -0.10 120.51 121.86 2ami n ALA 29 Ca 0.12 0.97 -0.07 0.00 0.00 0.00 0.00 53.44 54.46 2ami n ALA 29 Cb 0.48 -0.65 0.01 0.00 0.00 0.00 0.00 19.45 19.28 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 -0.79 0.00 1.57 -1.91 0.91 116.57 116.79 2ami h LYS 30 Ca 0.50 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.23 2ami h LYS 30 Cb 0.93 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.10 2ami h LYS 30 CO -0.87 0.29 0.42 0.93 -0.57 0.00 0.00 179.45 179.64 2ami h GLU 31 N 0.45 1.11 -0.40 3.15 5.08 -0.84 0.06 114.58 123.20 2ami h GLU 31 Ca 0.15 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2ami h GLU 31 Cb 0.02 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 2ami h GLU 31 CO -0.08 0.83 0.18 1.25 -1.00 0.00 0.00 179.01 180.19 2ami h LEU 32 N 1.10 0.53 -0.24 1.33 5.85 -0.40 0.14 115.31 123.62 2ami h LEU 32 Ca 0.28 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.90 2ami h LEU 32 Cb 0.06 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 2ami h LEU 32 CO -0.04 0.53 -0.07 0.50 -0.34 0.00 0.00 178.44 179.02 2ami h LYS 33 N 0.50 -0.02 -0.33 1.25 3.11 -0.42 0.13 116.57 120.78 2ami h LYS 33 Ca 0.13 0.00 0.05 0.00 -2.81 0.00 0.00 60.65 58.02 2ami h LYS 33 Cb 0.15 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.34 2ami h LYS 33 CO -0.01 -0.01 0.08 0.28 -2.81 0.00 0.00 179.45 176.97 2ami h VAL 34 N -0.02 0.85 0.02 2.00 2.07 -0.75 0.11 116.25 120.55 2ami h VAL 34 Ca 0.12 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.60 2ami h VAL 34 Cb 0.20 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 2ami h VAL 34 CO -0.26 0.04 -0.29 0.00 0.02 0.00 0.00 177.57 177.08 2ami h ALA 35 N 1.24 -0.43 -0.81 1.67 0.00 0.01 0.16 119.26 121.10 2ami h ALA 35 Ca 0.16 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.13 2ami h ALA 35 Cb 0.16 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 2ami h ALA 35 CO -0.19 -0.81 0.48 0.52 0.00 0.00 0.00 179.25 179.25 2ami h MET 36 N -0.45 0.81 -0.44 0.00 2.86 -0.57 0.18 114.93 117.32 2ami h MET 36 Ca 0.06 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2ami h MET 36 Cb 0.53 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 2ami h MET 36 CO -0.23 0.53 0.27 -0.09 1.06 0.00 0.00 176.91 178.45 2ami h ARG 37 N 0.83 0.59 -0.76 1.72 9.65 0.16 0.75 114.38 127.31 2ami h ARG 37 Ca 0.38 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 59.20 2ami h ARG 37 Cb 0.28 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.69 2ami h ARG 37 CO -0.21 0.42 0.45 0.00 2.80 0.00 0.00 179.97 183.43 2ami h ALA 38 N 1.14 1.36 0.00 2.80 0.00 0.15 0.13 119.26 124.83 2ami h ALA 38 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2ami h ALA 38 Cb -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2ami h ALA 38 CO -0.03 0.55 0.00 1.28 0.00 0.00 0.00 179.25 181.05 2ami n LEU 39 N -4.38 0.00 0.00 0.00 4.77 0.56 -4.84 117.00 113.11 2ami n LEU 39 Ca 0.08 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2ami n LEU 39 Cb 0.07 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2ami n LEU 39 CO 0.37 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2ami n GLY 40 N -0.18 0.63 3.87 -0.72 0.00 0.45 -5.04 105.19 104.20 2ami n GLY 40 Ca 0.10 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 3.44 -0.65 1.61 0.40 0.18 -4.98 117.98 115.99 2ami s PHE 41 Ca 0.00 1.20 -0.10 0.00 -0.60 0.00 0.00 56.93 57.43 2ami s PHE 41 Cb 0.00 -2.88 0.17 0.00 0.51 0.00 0.00 43.02 40.81 2ami s PHE 41 CO 0.00 -0.96 0.53 -1.21 0.70 0.00 0.00 175.22 174.28 2ami s GLU 42 N -5.24 2.94 -1.07 0.44 2.02 -1.26 -4.45 118.70 112.09 2ami s GLU 42 Ca 0.57 -2.22 -0.24 0.00 0.02 0.00 0.00 54.97 53.09 2ami s GLU 42 Cb -0.11 -4.08 -0.09 0.00 0.10 0.00 0.00 34.13 29.95 2ami s GLU 42 CO 0.53 -1.23 1.98 -1.25 0.02 0.00 0.00 175.26 175.31 2ami s PRO 43 N 0.56 2.35 -0.78 0.39 0.04 -1.26 -4.87 135.00 131.41 2ami s PRO 43 Ca 0.13 -0.74 -0.26 0.00 0.04 0.00 0.00 61.00 60.17 2ami s PRO 43 Cb -0.19 -5.14 -0.14 0.00 0.04 0.00 0.00 34.50 29.07 2ami s PRO 43 CO -0.04 -3.96 2.42 0.15 0.04 0.00 0.00 177.00 175.61 2ami s LYS 44 N 6.94 1.59 0.09 4.56 1.02 -1.26 -4.85 119.74 127.83 2ami s LYS 44 Ca 0.71 0.51 -0.17 0.00 0.02 0.00 0.00 55.97 57.05 2ami s LYS 44 Cb -0.04 -4.78 -0.03 0.00 -0.52 0.00 0.00 37.83 32.47 2ami s LYS 44 CO 0.09 -4.46 0.88 1.63 -0.92 0.00 0.00 175.35 172.57 2ami n LYS 45 N 8.82 -0.24 -0.08 1.68 5.02 -1.26 -0.64 118.16 131.46 2ami n LYS 45 Ca 0.47 0.86 -0.08 0.00 -2.02 0.00 0.00 58.31 57.54 2ami n LYS 45 Cb 0.43 -1.26 -0.01 0.00 -0.02 0.00 0.00 35.03 34.17 2ami n LYS 45 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 2ami h GLU 46 N 0.00 0.28 -0.55 1.97 9.09 -1.99 0.15 114.58 123.53 2ami h GLU 46 Ca 0.10 -0.02 -0.08 0.00 0.05 0.00 0.00 59.36 59.41 2ami h GLU 46 Cb 0.24 -0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 27.26 2ami h GLU 46 CO -0.54 0.19 0.04 1.49 0.05 0.00 0.00 179.01 180.24 2ami h GLU 47 N 0.29 0.95 -0.09 1.06 4.57 -1.28 -0.34 114.58 119.74 2ami h GLU 47 Ca 0.12 -0.28 0.03 0.00 -1.18 0.00 0.00 59.36 58.05 2ami h GLU 47 Cb 0.05 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 2ami h GLU 47 CO -0.09 0.94 -0.08 0.82 -1.18 0.00 0.00 179.01 179.41 2ami h ILE 48 N 0.83 0.76 -0.47 2.32 1.08 -0.59 0.40 117.51 121.85 2ami h ILE 48 Ca 0.16 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.63 2ami h ILE 48 Cb 0.49 0.76 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 2ami h ILE 48 CO 0.02 0.00 0.31 0.11 -0.69 0.00 0.00 178.15 177.90 2ami h LYS 49 N -0.10 0.62 0.17 2.37 1.79 -0.42 0.12 116.57 121.12 2ami h LYS 49 Ca 0.07 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.51 2ami h LYS 49 Cb 0.19 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.66 2ami h LYS 49 CO -0.15 0.41 -0.37 0.87 -1.08 0.00 0.00 179.45 179.13 2ami h LYS 50 N 0.63 -0.61 -0.03 3.15 1.57 -0.77 0.54 116.57 121.07 2ami h LYS 50 Ca 0.17 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.03 2ami h LYS 50 Cb -0.07 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 2ami h LYS 50 CO -0.04 -0.41 -0.22 1.98 -0.57 0.00 0.00 179.45 180.19 2ami h MET 51 N -0.63 -0.33 -0.54 3.15 4.05 -0.63 0.55 114.93 120.56 2ami h MET 51 Ca 0.02 0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.57 2ami h MET 51 Cb 0.64 0.07 -0.10 0.00 -0.80 0.00 0.00 31.60 31.42 2ami h MET 51 CO -0.19 -0.22 -0.10 0.82 0.23 0.00 0.00 176.91 177.46 2ami h ILE 52 N -0.34 0.49 -0.41 1.77 2.04 -0.61 0.39 117.51 120.84 2ami h ILE 52 Ca 0.07 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.93 2ami h ILE 52 Cb 0.43 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2ami h ILE 52 CO -0.22 0.01 0.24 0.28 0.00 0.00 0.00 178.15 178.46 2ami h SER 53 N 0.03 0.40 -0.74 1.72 0.02 0.00 0.34 113.55 115.33 2ami h SER 53 Ca 0.27 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.26 2ami h SER 53 Cb 0.41 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 2ami h SER 53 CO -0.53 0.29 0.46 -0.33 -1.14 0.00 0.00 176.83 175.58 2ami h GLU 54 N 0.49 0.85 -0.03 3.45 5.08 0.35 -2.58 114.58 122.19 2ami h GLU 54 Ca 0.16 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.27 2ami h GLU 54 Cb -0.00 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 2ami h GLU 54 CO -0.07 0.56 -0.83 0.82 -1.00 0.00 0.00 179.01 178.49 2ami h ILE 55 N 0.87 1.41 -0.81 3.13 1.08 -0.58 -3.40 117.51 119.21 2ami h ILE 55 Ca 0.31 -2.34 -0.62 0.00 -0.39 0.00 0.00 64.86 61.82 2ami h ILE 55 Cb 0.07 2.29 -0.07 0.00 -3.07 0.00 0.00 36.82 36.03 2ami h ILE 55 CO -0.13 0.70 2.00 -0.62 -0.69 0.00 0.00 178.15 179.41 2ami s ASP 56 N -7.00 6.54 -0.08 1.72 2.15 0.12 -4.67 116.67 115.44 2ami s ASP 56 Ca -0.05 -2.29 -0.19 0.00 0.43 0.00 0.00 52.55 50.45 2ami s ASP 56 Cb 0.10 -2.58 -0.29 0.00 -0.30 0.00 0.00 42.92 39.85 2ami s ASP 56 CO 0.85 -1.49 0.71 0.11 -0.17 0.00 0.00 175.17 175.18 2ami h LYS 57 N 7.99 0.26 0.00 4.34 1.79 -1.79 -3.43 116.57 125.73 2ami h LYS 57 Ca 0.40 -0.45 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 2ami h LYS 57 Cb 0.89 0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.70 2ami h LYS 57 CO 1.42 1.21 -1.09 -0.40 -1.08 0.00 0.00 179.45 179.51 2ami n ASP 58 N -4.04 4.61 0.22 0.86 5.68 -1.26 -4.79 116.55 117.84 2ami n ASP 58 Ca -0.20 0.00 0.16 0.00 -0.50 0.00 0.00 54.79 54.25 2ami n ASP 58 Cb 0.86 0.85 0.75 0.00 -1.14 0.00 0.00 41.12 42.43 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 0.31 0.00 -6.04 6.12 0.00 -1.82 -3.47 103.07 98.17 2ami h GLY 59 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.92 2ami h GLY 59 CO 0.00 0.00 -0.90 -1.26 0.00 0.00 0.00 176.54 174.38 2ami n SER 60 N -2.63 -4.84 0.00 0.19 2.88 -1.26 -1.60 113.62 106.36 2ami n SER 60 Ca -0.01 -0.92 0.00 0.00 -1.33 0.00 0.00 58.87 56.61 2ami n SER 60 Cb 0.14 -3.88 0.00 0.00 -0.75 0.00 0.00 64.21 59.72 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 -1.58 3.32 3.87 0.46 0.00 -1.26 -5.04 105.19 104.96 2ami n GLY 61 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.98 1.82 -0.25 2.61 -4.23 -0.63 -3.10 115.64 108.88 2ami s THR 62 Ca 0.00 -1.52 -0.02 0.00 -1.18 0.00 0.00 61.69 58.97 2ami s THR 62 Cb 0.00 -2.35 0.03 0.00 1.34 0.00 0.00 72.50 71.52 2ami s THR 62 CO 0.00 0.00 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.40 2ami s ILE 63 N -2.72 2.94 0.78 2.99 -1.09 0.93 -4.16 121.20 120.87 2ami s ILE 63 Ca 0.35 -1.02 -0.10 0.00 -2.23 0.00 0.00 60.65 57.64 2ami s ILE 63 Cb -0.01 -2.50 0.06 0.00 -1.58 0.00 0.00 42.46 38.42 2ami s ILE 63 CO 0.21 0.18 1.09 -0.62 -1.23 0.00 0.00 174.94 174.57 2ami s ASP 64 N 1.33 4.43 0.15 3.58 2.15 -1.26 -0.59 116.67 126.45 2ami s ASP 64 Ca 0.00 1.83 -0.21 0.00 0.43 0.00 0.00 52.55 54.60 2ami s ASP 64 Cb -0.17 -2.52 0.02 0.00 -0.30 0.00 0.00 42.92 39.96 2ami s ASP 64 CO -0.04 -2.08 1.65 0.15 -0.17 0.00 0.00 175.17 174.68 2ami h PHE 65 N -1.16 -0.46 -0.56 -5.34 3.57 -1.99 0.52 116.94 111.51 2ami h PHE 65 Ca -0.44 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.12 2ami h PHE 65 Cb 1.23 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 40.18 2ami h PHE 65 CO 0.57 -0.26 0.34 0.93 -2.23 0.00 0.00 178.31 177.67 2ami h GLU 66 N -0.18 0.66 -0.07 1.11 3.07 -1.93 0.16 114.58 117.40 2ami h GLU 66 Ca 0.13 -0.04 0.02 0.00 -0.50 0.00 0.00 59.36 58.98 2ami h GLU 66 Cb 0.38 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 2ami h GLU 66 CO -0.34 0.43 -0.09 0.93 -1.40 0.00 0.00 179.01 178.55 2ami h GLU 67 N 0.68 -0.11 -0.30 2.33 5.08 -1.79 0.61 114.58 121.08 2ami h GLU 67 Ca 0.23 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.63 2ami h GLU 67 Cb 0.02 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 2ami h GLU 67 CO -0.10 -0.08 0.07 0.35 -1.00 0.00 0.00 179.01 178.26 2ami h PHE 68 N -0.12 0.13 -0.49 4.33 3.57 -0.31 0.71 116.94 124.75 2ami h PHE 68 Ca 0.06 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.60 2ami h PHE 68 Cb 0.20 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 2ami h PHE 68 CO -0.18 0.04 0.30 1.25 -2.23 0.00 0.00 178.31 177.48 2ami h LEU 69 N 0.19 0.48 0.18 0.59 5.85 -0.43 0.12 115.31 122.29 2ami h LEU 69 Ca 0.14 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 2ami h LEU 69 Cb 0.13 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 2ami h LEU 69 CO -0.17 0.34 -0.12 0.74 -0.34 0.00 0.00 178.44 178.89 2ami h THR 70 N 0.59 0.75 -0.29 1.05 2.02 -0.39 0.75 112.91 117.38 2ami h THR 70 Ca 0.20 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.44 2ami h THR 70 Cb 0.01 0.75 -0.08 0.00 -1.74 0.00 0.00 68.15 67.09 2ami h THR 70 CO -0.09 0.00 -0.35 -0.03 0.37 0.00 0.00 175.52 175.42 2ami h MET 71 N -0.29 -0.32 -0.19 6.66 1.85 -0.56 0.93 114.93 123.00 2ami h MET 71 Ca -0.01 0.02 0.05 0.00 -0.61 0.00 0.00 59.70 59.14 2ami h MET 71 Cb 0.25 0.07 -0.05 0.00 0.43 0.00 0.00 31.60 32.31 2ami h MET 71 CO 0.01 -0.21 -0.10 1.98 -0.40 0.00 0.00 176.91 178.18 2ami h MET 72 N -0.33 -0.08 -0.51 0.39 -1.53 -0.51 0.12 114.93 112.47 2ami h MET 72 Ca 0.13 0.01 0.07 0.00 -3.44 0.00 0.00 59.70 56.47 2ami h MET 72 Cb 0.56 0.02 -0.06 0.00 -0.55 0.00 0.00 31.60 31.57 2ami h MET 72 CO -0.47 -0.06 0.20 1.15 0.14 0.00 0.00 176.91 177.87 2ami h THR 73 N -0.09 0.85 -0.57 -0.77 2.02 -0.33 0.48 112.91 114.51 2ami h THR 73 Ca 0.11 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 2ami h THR 73 Cb 0.25 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2ami h THR 73 CO -0.25 0.07 0.14 0.00 0.37 0.00 0.00 175.52 175.85 2ami h ALA 74 N 1.33 0.75 -0.21 6.16 0.00 -0.07 -3.15 119.26 124.07 2ami h ALA 74 Ca 0.24 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2ami h ALA 74 Cb 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2ami h ALA 74 CO -0.23 0.46 -0.06 0.87 0.00 0.00 0.00 179.25 180.28 2ami h LYS 75 N 0.82 0.41 0.00 0.00 1.79 -0.36 -3.51 116.57 115.73 2ami h LYS 75 Ca 0.18 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2ami h LYS 75 Cb 0.35 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2ami h LYS 75 CO 0.00 0.67 0.00 -1.33 -1.08 0.00 0.00 179.45 177.71