#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0l n ASP 3 N 0.00 -2.21 -0.11 6.55 9.92 -1.26 -4.88 116.55 124.56 3h0l n ASP 3 Ca 0.00 0.35 -0.10 0.00 -0.53 0.00 0.00 54.79 54.52 3h0l n ASP 3 Cb 0.00 -1.18 -0.02 0.00 -0.64 0.00 0.00 41.12 39.28 3h0l n ASP 3 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3h0l h ARG 4 N -1.37 0.53 -0.76 -1.24 2.43 -2.00 -2.94 114.38 109.03 3h0l h ARG 4 Ca -0.44 -0.11 0.16 0.00 -0.81 0.00 0.00 59.98 58.77 3h0l h ARG 4 Cb 1.29 -0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 30.66 3h0l h ARG 4 CO 0.35 0.56 0.27 1.49 -1.51 0.00 0.00 179.97 181.13 3h0l h GLU 5 N 0.40 0.37 0.11 0.20 4.81 -1.99 -1.19 114.58 117.29 3h0l h GLU 5 Ca 0.11 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3h0l h GLU 5 Cb 0.25 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.55 3h0l h GLU 5 CO -0.00 0.25 -0.05 2.35 -0.73 0.00 0.00 179.01 180.82 3h0l h TRP 6 N 0.38 -0.14 -0.61 0.92 7.01 -1.90 -0.99 115.95 120.62 3h0l h TRP 6 Ca 0.43 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.52 3h0l h TRP 6 Cb 0.70 0.05 -0.07 0.00 -2.10 0.00 0.00 29.16 27.73 3h0l h TRP 6 CO -0.19 0.08 0.24 0.28 -2.79 0.00 0.00 178.44 176.05 3h0l h VAL 7 N -0.34 0.79 -0.45 2.65 2.07 -1.25 0.22 116.25 119.94 3h0l h VAL 7 Ca -0.02 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 3h0l h VAL 7 Cb 0.28 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3h0l h VAL 7 CO 0.03 0.08 -0.06 -0.07 0.02 0.00 0.00 177.57 177.56 3h0l h LEU 8 N 0.43 0.76 -0.21 2.57 3.38 -1.07 -1.03 115.31 120.13 3h0l h LEU 8 Ca 0.31 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3h0l h LEU 8 Cb 0.36 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3h0l h LEU 8 CO -0.29 0.87 -0.10 0.50 0.09 0.00 0.00 178.44 179.50 3h0l h LYS 9 N 0.72 0.44 -0.48 1.13 3.64 -0.23 -1.88 116.57 119.91 3h0l h LYS 9 Ca 0.13 -0.19 -0.09 0.00 -1.27 0.00 0.00 60.65 59.23 3h0l h LYS 9 Cb 0.53 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 3h0l h LYS 9 CO 0.03 0.73 -0.04 0.82 -2.27 0.00 0.00 179.45 178.71 3h0l h ILE 10 N 0.14 1.27 -0.57 2.00 1.08 -0.93 -2.67 117.51 117.82 3h0l h ILE 10 Ca 0.05 -1.13 -0.03 0.00 -0.39 0.00 0.00 64.86 63.35 3h0l h ILE 10 Cb 0.60 1.04 -0.03 0.00 -3.07 0.00 0.00 36.82 35.36 3h0l h ILE 10 CO 0.03 0.39 0.23 0.00 -0.69 0.00 0.00 178.15 178.11 3h0l h ALA 11 N 0.91 1.33 -0.05 1.87 0.00 -1.15 -2.22 119.26 119.95 3h0l h ALA 11 Ca 0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h0l h ALA 11 Cb 0.57 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3h0l h ALA 11 CO 0.03 0.50 0.02 -0.22 0.00 0.00 0.00 179.25 179.59 3h0l h LYS 12 N 0.82 0.07 -0.86 0.00 3.64 -1.16 0.16 116.57 119.24 3h0l h LYS 12 Ca 0.20 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.67 3h0l h LYS 12 Cb 0.16 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 3h0l h LYS 12 CO -0.02 0.15 0.56 -0.07 -2.27 0.00 0.00 179.45 177.80 3h0l h LEU 13 N -0.03 0.73 -1.06 5.20 3.38 -1.12 -1.48 115.31 120.94 3h0l h LEU 13 Ca 0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3h0l h LEU 13 Cb 0.11 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3h0l h LEU 13 CO -0.00 0.43 0.00 0.00 0.09 0.00 0.00 178.44 178.95 3h0l n ALA 14 N -2.42 2.56 -3.70 1.53 0.00 -0.87 -4.97 120.51 112.64 3h0l n ALA 14 Ca 0.15 -0.47 -0.30 0.00 0.00 0.00 0.00 53.44 52.81 3h0l n ALA 14 Cb 0.34 -1.13 0.04 0.00 0.00 0.00 0.00 19.45 18.69 3h0l n ALA 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h0l n ARG 15 N 0.29 -1.58 -4.02 0.00 5.12 -0.13 -5.01 116.66 111.33 3h0l n ARG 15 Ca 0.18 0.46 -0.34 0.00 -1.93 0.00 0.00 57.85 56.23 3h0l n ARG 15 Cb 0.37 -4.22 -0.15 0.00 -1.16 0.00 0.00 32.46 27.31 3h0l n ARG 15 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3h0l s LEU 16 N -6.52 2.54 -0.92 0.55 1.43 0.39 -5.03 118.68 111.13 3h0l s LEU 16 Ca 0.41 -0.58 -0.19 0.00 -1.03 0.00 0.00 54.13 52.74 3h0l s LEU 16 Cb -0.15 -1.60 0.13 0.00 0.03 0.00 0.00 46.19 44.61 3h0l s LEU 16 CO 0.86 -0.02 1.10 -0.70 0.23 0.00 0.00 176.35 177.82 3h0l s GLU 17 N 1.36 3.59 0.25 1.70 2.12 -1.26 -4.38 118.70 122.08 3h0l s GLU 17 Ca 0.05 -1.78 -0.30 0.00 0.36 0.00 0.00 54.97 53.30 3h0l s GLU 17 Cb -0.14 -4.87 -0.10 0.00 0.26 0.00 0.00 34.13 29.28 3h0l s GLU 17 CO -0.08 -1.74 1.36 -0.51 -0.54 0.00 0.00 175.26 173.74 3h0l s LEU 18 N 2.56 4.41 0.53 2.70 1.43 -1.26 -5.01 118.68 124.04 3h0l s LEU 18 Ca 0.31 2.58 -0.18 0.00 -1.03 0.00 0.00 54.13 55.81 3h0l s LEU 18 Cb -0.05 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.47 3h0l s LEU 18 CO -0.09 -0.60 1.04 -0.54 0.23 0.00 0.00 176.35 176.40 3h0l s LYS 19 N -0.64 3.62 0.39 1.70 1.02 -1.26 -4.88 119.74 119.70 3h0l s LYS 19 Ca 0.56 1.28 0.13 0.00 0.02 0.00 0.00 55.97 57.95 3h0l s LYS 19 Cb -0.39 -2.07 0.96 0.00 -0.52 0.00 0.00 37.83 35.80 3h0l s LYS 19 CO 0.44 -0.57 1.88 1.49 -0.92 0.00 0.00 175.35 177.67 3h0l h GLU 20 N 1.09 0.52 -0.86 1.68 4.57 -2.01 0.42 114.58 119.99 3h0l h GLU 20 Ca -0.48 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 57.65 3h0l h GLU 20 Cb 1.22 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.65 3h0l h GLU 20 CO 0.59 0.34 0.46 0.93 -1.18 0.00 0.00 179.01 180.15 3h0l h GLU 21 N 0.53 1.20 -0.24 1.92 3.07 -2.02 -3.18 114.58 115.86 3h0l h GLU 21 Ca 0.43 -0.14 -0.14 0.00 -0.50 0.00 0.00 59.36 59.00 3h0l h GLU 21 Cb 0.87 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 28.54 3h0l h GLU 21 CO -0.17 0.88 -0.40 0.93 -1.40 0.00 0.00 179.01 178.84 3h0l h GLU 22 N 1.20 0.70 -0.84 2.33 5.08 -1.30 -2.87 114.58 118.88 3h0l h GLU 22 Ca 0.30 -0.43 0.15 0.00 -1.00 0.00 0.00 59.36 58.38 3h0l h GLU 22 Cb 0.03 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.23 3h0l h GLU 22 CO -0.05 1.05 0.41 0.82 -1.00 0.00 0.00 179.01 180.25 3h0l h ILE 23 N 0.42 0.70 -0.11 3.13 2.04 -1.42 0.40 117.51 122.66 3h0l h ILE 23 Ca 0.02 -0.20 -0.13 0.00 1.00 0.00 0.00 64.86 65.55 3h0l h ILE 23 Cb 1.00 0.07 0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3h0l h ILE 23 CO 0.09 0.11 -0.44 -0.33 0.00 0.00 0.00 178.15 177.58 3h0l h GLU 24 N 0.58 0.49 -0.33 2.37 5.08 -1.54 -2.48 114.58 118.74 3h0l h GLU 24 Ca 0.46 -0.38 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3h0l h GLU 24 Cb 0.69 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 3h0l h GLU 24 CO -0.38 1.01 -0.04 0.28 -1.00 0.00 0.00 179.01 178.87 3h0l h VAL 25 N 0.08 1.27 0.00 3.13 2.07 -1.24 -2.97 116.25 118.59 3h0l h VAL 25 Ca -0.02 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.44 3h0l h VAL 25 Cb 1.07 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 3h0l h VAL 25 CO 0.09 0.34 0.00 -0.26 0.02 0.00 0.00 177.57 177.77 3h0l h PHE 26 N 0.41 0.00 -0.05 1.57 0.04 -0.26 -1.32 116.94 117.32 3h0l h PHE 26 Ca 0.09 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 3h0l h PHE 26 Cb 0.52 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.66 3h0l h PHE 26 CO 0.04 0.00 0.01 1.96 -0.60 0.00 0.00 178.31 179.72 3h0l h GLN 27 N 0.00 0.08 0.02 1.51 4.20 -1.28 -2.31 115.11 117.34 3h0l h GLN 27 Ca 0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3h0l h GLN 27 Cb 0.43 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3h0l h GLN 27 CO 0.00 0.30 -0.01 -0.22 -0.67 0.00 0.00 178.83 178.23 3h0l h LYS 28 N -0.15 -0.02 -0.26 1.46 3.64 -1.44 -2.75 116.57 117.05 3h0l h LYS 28 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3h0l h LYS 28 Cb 0.26 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3h0l h LYS 28 CO 0.00 0.50 0.16 1.96 -2.27 0.00 0.00 179.45 179.81 3h0l h GLN 29 N -0.56 0.34 -0.23 1.90 4.20 -1.36 -0.89 115.11 118.51 3h0l h GLN 29 Ca -0.00 -0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.55 3h0l h GLN 29 Cb 0.54 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 3h0l h GLN 29 CO 0.00 0.25 -0.40 -0.07 -0.67 0.00 0.00 178.83 177.95 3h0l h LEU 30 N 0.33 0.57 -0.29 1.46 3.38 -1.53 -0.33 115.31 118.90 3h0l h LEU 30 Ca 0.09 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.83 3h0l h LEU 30 Cb -0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3h0l h LEU 30 CO -0.02 0.90 0.15 0.28 0.09 0.00 0.00 178.44 179.85 3h0l h SER 31 N 0.45 0.24 -0.09 -0.43 0.02 -1.32 0.46 113.55 112.87 3h0l h SER 31 Ca 0.04 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3h0l h SER 31 Cb 0.89 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 3h0l h SER 31 CO 0.08 0.18 -0.00 0.44 -1.14 0.00 0.00 176.83 176.38 3h0l h ASP 32 N 0.32 -0.03 -0.74 3.07 3.32 -0.80 -1.21 116.42 120.34 3h0l h ASP 32 Ca 0.12 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 3h0l h ASP 32 Cb 0.02 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3h0l h ASP 32 CO -0.07 -0.00 0.28 0.40 -1.72 0.00 0.00 179.24 178.13 3h0l h ILE 33 N 0.03 1.25 -0.45 0.35 2.04 -0.95 0.98 117.51 120.77 3h0l h ILE 33 Ca 0.04 -0.82 -0.05 0.00 1.00 0.00 0.00 64.86 65.03 3h0l h ILE 33 Cb 0.05 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 3h0l h ILE 33 CO -0.07 0.33 0.07 -0.07 0.00 0.00 0.00 178.15 178.40 3h0l h LEU 34 N 1.09 0.65 -0.35 1.44 4.07 -0.58 -0.33 115.31 121.31 3h0l h LEU 34 Ca 0.25 -0.12 -0.18 0.00 0.08 0.00 0.00 57.88 57.91 3h0l h LEU 34 Cb 0.23 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 41.80 3h0l h LEU 34 CO -0.02 0.67 -0.58 0.44 -1.08 0.00 0.00 178.44 177.88 3h0l h ASP 35 N 0.66 0.87 -0.60 -0.43 3.32 -0.80 -3.18 116.42 116.26 3h0l h ASP 35 Ca 0.14 -0.48 -0.00 0.00 0.02 0.00 0.00 57.03 56.72 3h0l h ASP 35 Cb 0.32 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3h0l h ASP 35 CO 0.00 1.25 0.37 0.15 -1.72 0.00 0.00 179.24 179.30 3h0l h PHE 36 N 0.58 0.79 -0.02 4.55 3.57 0.16 -3.06 116.94 123.52 3h0l h PHE 36 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3h0l h PHE 36 Cb 1.17 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.65 3h0l h PHE 36 CO 0.07 0.53 -0.09 0.44 -2.23 0.00 0.00 178.31 177.02 3h0l n ILE 37 N -4.63 0.00 -2.15 1.41 -5.35 -0.23 -4.60 119.36 103.81 3h0l n ILE 37 Ca 0.04 -0.28 -0.42 0.00 -0.27 0.00 0.00 62.75 61.82 3h0l n ILE 37 Cb 0.05 0.74 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 3h0l n ILE 37 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3h0l n ASP 38 N 0.22 4.63 -0.00 7.28 9.92 -1.16 -4.33 116.55 133.11 3h0l n ASP 38 Ca 0.16 -2.99 0.02 0.00 -0.53 0.00 0.00 54.79 51.44 3h0l n ASP 38 Cb 0.41 -1.56 -0.02 0.00 -0.64 0.00 0.00 41.12 39.31 3h0l n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3h0l n GLN 39 N 5.02 5.88 0.13 -1.24 1.13 -1.26 -4.84 117.38 122.19 3h0l n GLN 39 Ca 0.45 -0.01 0.12 0.00 -1.94 0.00 0.00 57.00 55.62 3h0l n GLN 39 Cb 0.38 -0.66 0.06 0.00 0.11 0.00 0.00 30.24 30.14 3h0l n GLN 39 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3h0l h LEU 40 N 0.01 0.00 -1.39 1.08 3.38 -1.98 -3.30 115.31 113.11 3h0l h LEU 40 Ca 0.00 -0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.13 3h0l h LEU 40 Cb 0.08 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 3h0l h LEU 40 CO 0.00 0.01 0.58 0.11 0.09 0.00 0.00 178.44 179.23 3h0l h LYS 41 N 0.00 0.52 -0.87 1.13 1.57 -1.95 -1.52 116.57 115.45 3h0l h LYS 41 Ca 0.00 -0.03 0.25 0.00 -1.87 0.00 0.00 60.65 59.00 3h0l h LYS 41 Cb 0.98 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.13 3h0l h LYS 41 CO 0.00 0.35 0.62 0.93 -0.57 0.00 0.00 179.45 180.78 3h0l h GLU 42 N 0.54 0.04 -6.15 3.15 5.08 -1.96 -3.42 114.58 111.85 3h0l h GLU 42 Ca 0.47 -0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 58.24 3h0l h GLU 42 Cb 0.97 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 3h0l h GLU 42 CO -0.20 0.03 -0.22 -0.51 -1.00 0.00 0.00 179.01 177.10 3h0l s LEU 43 N -8.64 4.34 -0.30 1.33 1.43 -0.57 -5.06 118.68 111.21 3h0l s LEU 43 Ca -0.05 0.83 -0.22 0.00 -1.03 0.00 0.00 54.13 53.66 3h0l s LEU 43 Cb 0.22 -3.04 -0.00 0.00 0.03 0.00 0.00 46.19 43.39 3h0l s LEU 43 CO 0.77 0.15 0.71 -0.62 0.23 0.00 0.00 176.35 177.59 3h0l s ASP 44 N -1.78 6.59 -0.01 2.29 2.15 -1.26 -4.89 116.67 119.75 3h0l s ASP 44 Ca 0.34 0.57 0.01 0.00 0.43 0.00 0.00 52.55 53.90 3h0l s ASP 44 Cb -0.14 -2.37 0.02 0.00 -0.30 0.00 0.00 42.92 40.13 3h0l s ASP 44 CO 0.18 -0.54 0.80 0.35 -0.17 0.00 0.00 175.17 175.79 3h0l n THR 45 N 5.45 0.57 -1.71 1.71 -2.24 -1.26 -4.86 114.28 111.93 3h0l n THR 45 Ca 0.01 -0.59 -0.42 0.00 -2.27 0.00 0.00 64.05 60.78 3h0l n THR 45 Cb 0.48 0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 3h0l n THR 45 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h0l s GLU 46 N -0.63 4.13 -0.48 -0.78 0.41 -1.26 -2.80 118.70 117.28 3h0l s GLU 46 Ca 0.02 2.61 0.00 0.00 -0.41 0.00 0.00 54.97 57.20 3h0l s GLU 46 Cb 0.02 -3.44 0.00 0.00 -1.78 0.00 0.00 34.13 28.93 3h0l s GLU 46 CO 0.00 -0.82 0.00 0.09 -0.49 0.00 0.00 175.26 174.04 3h0l n ASN 47 N 5.18 -3.56 -4.36 -0.19 3.02 -1.26 -5.03 115.26 109.05 3h0l n ASN 47 Ca 0.17 0.11 -0.34 0.00 -0.03 0.00 0.00 54.58 54.49 3h0l n ASN 47 Cb 0.37 -1.46 -0.14 0.00 -0.61 0.00 0.00 39.78 37.95 3h0l n ASN 47 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3h0l s VAL 48 N -2.16 3.45 0.09 2.41 1.01 -1.12 -5.11 120.40 118.97 3h0l s VAL 48 Ca 0.00 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 3h0l s VAL 48 Cb 0.00 -2.54 -0.06 0.00 0.00 0.00 0.00 36.38 33.78 3h0l s VAL 48 CO 0.00 0.45 1.03 -1.61 0.00 0.00 0.00 175.10 174.97 3h0l s GLU 49 N 1.07 4.61 0.47 2.72 0.41 -1.26 -5.01 118.70 121.70 3h0l s GLU 49 Ca 0.01 1.55 -0.23 0.00 -0.41 0.00 0.00 54.97 55.88 3h0l s GLU 49 Cb -0.15 -3.37 -0.09 0.00 -1.78 0.00 0.00 34.13 28.75 3h0l s GLU 49 CO -0.00 0.06 1.11 -2.30 -0.49 0.00 0.00 175.26 173.64 3h0l n PRO 50 N 3.11 1.48 -1.78 0.39 -0.02 -1.26 -4.88 135.00 132.05 3h0l n PRO 50 Ca 0.04 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 3h0l n PRO 50 Cb 0.49 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 3h0l n PRO 50 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3h0l s TYR 51 N -1.30 2.06 0.10 6.00 5.04 -1.26 -5.03 117.35 122.96 3h0l s TYR 51 Ca 0.65 0.00 0.07 0.00 -2.44 0.00 0.00 57.07 55.36 3h0l s TYR 51 Cb -0.50 -4.12 -0.03 0.00 0.35 0.00 0.00 41.96 37.65 3h0l s TYR 51 CO 0.55 -4.68 -0.19 0.42 -1.34 0.00 0.00 175.55 170.31 3h0l s ILE 52 N 3.08 1.57 0.51 3.14 1.01 -1.26 -5.13 121.20 124.12 3h0l s ILE 52 Ca 0.80 -1.50 -0.21 0.00 0.00 0.00 0.00 60.65 59.74 3h0l s ILE 52 Cb -0.43 -1.45 -0.06 0.00 0.01 0.00 0.00 42.46 40.53 3h0l s ILE 52 CO 0.36 -0.11 1.17 0.00 0.00 0.00 0.00 174.94 176.36 3h0l s GLN 53 N -1.90 3.47 0.35 2.79 -2.07 -1.26 -4.99 119.66 116.04 3h0l s GLN 53 Ca 0.05 1.75 -0.26 0.00 -1.82 0.00 0.00 55.36 55.08 3h0l s GLN 53 Cb -0.10 -2.19 -0.09 0.00 -1.09 0.00 0.00 33.01 29.54 3h0l s GLN 53 CO 0.04 -0.79 1.06 -1.21 -1.32 0.00 0.00 175.29 173.07 3h0l s GLU 54 N -3.01 4.37 -0.12 9.60 2.02 -1.26 -5.05 118.70 125.26 3h0l s GLU 54 Ca 0.69 1.62 -0.24 0.00 0.02 0.00 0.00 54.97 57.06 3h0l s GLU 54 Cb -0.28 -2.82 0.06 0.00 0.10 0.00 0.00 34.13 31.19 3h0l s GLU 54 CO 0.33 0.02 0.59 -0.59 0.02 0.00 0.00 175.26 175.63 3h0l s PHE 55 N -1.45 -0.58 -0.09 1.61 -0.71 -1.26 -5.09 117.98 110.41 3h0l s PHE 55 Ca 0.52 1.20 -0.04 0.00 -1.04 0.00 0.00 56.93 57.57 3h0l s PHE 55 Cb -0.26 0.28 -0.02 0.00 -1.21 0.00 0.00 43.02 41.81 3h0l s PHE 55 CO 0.33 -0.45 0.14 0.93 -1.34 0.00 0.00 175.22 174.83 3h0l h GLU 56 N 4.06 -0.10 -5.91 1.99 4.39 -2.07 -3.48 114.58 113.46 3h0l h GLU 56 Ca -0.28 0.01 -0.51 0.00 0.34 0.00 0.00 59.36 58.91 3h0l h GLU 56 Cb 1.16 0.02 -0.20 0.00 -0.10 0.00 0.00 28.75 29.63 3h0l h GLU 56 CO 0.28 -0.04 -0.80 -1.21 -1.16 0.00 0.00 179.01 176.08 3h0l s GLU 57 N -1.91 1.14 0.06 2.33 2.02 -1.26 -5.11 118.70 115.97 3h0l s GLU 57 Ca -0.02 -1.24 -0.31 0.00 0.02 0.00 0.00 54.97 53.42 3h0l s GLU 57 Cb 0.00 -1.26 -0.08 0.00 0.10 0.00 0.00 34.13 32.89 3h0l s GLU 57 CO 0.06 0.27 1.64 0.99 0.02 0.00 0.00 175.26 178.25 3h0l s THR 58 N -1.62 3.09 -0.10 3.63 2.01 -1.26 -4.95 115.64 116.44 3h0l s THR 58 Ca 0.09 0.52 -0.29 0.00 0.31 0.00 0.00 61.69 62.32 3h0l s THR 58 Cb -0.08 -3.33 -0.07 0.00 0.01 0.00 0.00 72.50 69.02 3h0l s THR 58 CO 0.05 -0.00 2.10 -2.65 -0.69 0.00 0.00 174.62 173.42 3h0l n PRO 59 N 5.67 2.35 -4.40 4.92 -0.02 -1.26 -5.00 135.00 137.25 3h0l n PRO 59 Ca 0.16 0.77 -0.20 0.00 -2.02 0.00 0.00 63.50 62.21 3h0l n PRO 59 Cb 0.41 -3.09 -0.10 0.00 -0.02 0.00 0.00 33.50 30.69 3h0l n PRO 59 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3h0l s MET 60 N 5.43 1.55 -0.00 -0.52 -1.94 -1.26 -5.15 119.30 117.40 3h0l s MET 60 Ca 0.96 -1.84 0.03 0.00 -1.71 0.00 0.00 55.69 53.12 3h0l s MET 60 Cb -0.41 -0.72 -0.01 0.00 2.01 0.00 0.00 34.83 35.70 3h0l s MET 60 CO 0.39 -0.18 -0.09 0.50 -0.01 0.00 0.00 175.02 175.63 3h0l s ARG 61 N -3.91 0.74 0.64 2.03 3.52 -1.26 -5.13 118.95 115.58 3h0l s ARG 61 Ca 0.35 -0.38 -0.17 0.00 -0.13 0.00 0.00 55.73 55.40 3h0l s ARG 61 Cb 0.08 -0.71 -0.01 0.00 -1.56 0.00 0.00 34.95 32.74 3h0l s ARG 61 CO 0.14 0.19 1.20 -1.21 -0.81 0.00 0.00 175.30 174.81 3h0l s GLU 62 N -0.34 2.74 -1.36 5.12 0.41 -1.26 -4.91 118.70 119.11 3h0l s GLU 62 Ca 0.03 1.76 -0.14 0.00 -0.41 0.00 0.00 54.97 56.20 3h0l s GLU 62 Cb -0.04 -1.91 -0.01 0.00 -1.78 0.00 0.00 34.13 30.39 3h0l s GLU 62 CO -0.00 -1.37 2.27 -3.47 -0.49 0.00 0.00 175.26 172.20 3h0l n ASP 63 N -1.97 4.32 -4.01 -0.19 2.03 -1.26 -4.89 116.55 110.58 3h0l n ASP 63 Ca 0.13 -2.76 -0.26 0.00 0.52 0.00 0.00 54.79 52.42 3h0l n ASP 63 Cb 0.50 -1.55 -0.17 0.00 -0.72 0.00 0.00 41.12 39.19 3h0l n ASP 63 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3h0l s GLU 64 N 3.35 1.79 0.29 -0.67 2.02 -1.26 -5.12 118.70 119.10 3h0l s GLU 64 Ca 0.51 -0.42 -0.30 0.00 0.02 0.00 0.00 54.97 54.78 3h0l s GLU 64 Cb 0.14 -1.55 -0.12 0.00 0.10 0.00 0.00 34.13 32.70 3h0l s GLU 64 CO -0.05 -0.04 1.51 -2.30 0.02 0.00 0.00 175.26 174.39 3h0l n PRO 65 N 4.09 2.45 -4.29 0.39 -0.02 -1.26 -5.03 135.00 131.32 3h0l n PRO 65 Ca -0.20 0.87 -0.31 0.00 -2.02 0.00 0.00 63.50 61.83 3h0l n PRO 65 Cb 0.51 -2.59 -0.09 0.00 -0.02 0.00 0.00 33.50 31.31 3h0l n PRO 65 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3h0l s HIS 66 N -0.18 2.95 -0.06 6.00 3.76 -1.26 -5.08 115.29 121.42 3h0l s HIS 66 Ca 0.64 -0.02 -0.36 0.00 -0.15 0.00 0.00 55.06 55.17 3h0l s HIS 66 Cb -0.55 -1.58 -0.14 0.00 1.11 0.00 0.00 32.58 31.42 3h0l s HIS 66 CO 0.51 0.43 1.71 -2.30 -0.85 0.00 0.00 174.74 174.25 3h0l n PRO 67 N 1.13 1.80 -1.12 8.40 -0.02 -1.26 -4.97 135.00 138.97 3h0l n PRO 67 Ca -0.14 0.66 -0.29 0.00 -2.02 0.00 0.00 63.50 61.71 3h0l n PRO 67 Cb 0.52 -2.42 0.16 0.00 -0.02 0.00 0.00 33.50 31.74 3h0l n PRO 67 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3h0l s SER 68 N 2.81 3.01 0.32 2.55 0.01 -1.26 -5.01 113.70 116.12 3h0l s SER 68 Ca 0.90 1.44 -0.28 0.00 1.31 0.00 0.00 55.95 59.32 3h0l s SER 68 Cb -0.81 -2.12 -0.10 0.00 0.21 0.00 0.00 66.02 63.21 3h0l s SER 68 CO 0.51 -2.93 1.19 -0.22 0.41 0.00 0.00 173.24 172.21 3h0l s LEU 69 N -6.39 4.44 0.21 2.44 2.96 -1.26 -4.97 118.68 116.11 3h0l s LEU 69 Ca 0.64 2.44 -0.32 0.00 -0.22 0.00 0.00 54.13 56.68 3h0l s LEU 69 Cb -0.19 -3.70 -0.12 0.00 0.50 0.00 0.00 46.19 42.68 3h0l s LEU 69 CO 0.58 -0.38 1.68 -0.62 -1.32 0.00 0.00 176.35 176.29 3h0l s ASP 70 N -0.77 6.42 0.49 3.68 2.15 -1.26 -4.82 116.67 122.56 3h0l s ASP 70 Ca 0.48 2.83 0.17 0.00 0.43 0.00 0.00 52.55 56.46 3h0l s ASP 70 Cb -0.35 -2.60 1.21 0.00 -0.30 0.00 0.00 42.92 40.88 3h0l s ASP 70 CO 0.45 -0.94 2.07 -0.09 -0.17 0.00 0.00 175.17 176.49 3h0l h ARG 71 N 6.61 0.14 -0.57 4.34 2.43 -1.98 -0.28 114.38 125.06 3h0l h ARG 71 Ca -0.43 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.69 3h0l h ARG 71 Cb 1.20 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 3h0l h ARG 71 CO 0.93 0.09 0.21 1.49 -1.51 0.00 0.00 179.97 181.19 3h0l h GLU 72 N 0.14 0.87 -0.00 0.20 4.81 -1.98 -1.09 114.58 117.53 3h0l h GLU 72 Ca 0.13 -0.17 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 3h0l h GLU 72 Cb 0.34 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3h0l h GLU 72 CO -0.02 0.76 -0.50 0.87 -0.73 0.00 0.00 179.01 179.40 3h0l h LYS 73 N 0.79 0.00 0.00 1.92 1.57 -1.49 0.22 116.57 119.58 3h0l h LYS 73 Ca 0.19 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.85 3h0l h LYS 73 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3h0l h LYS 73 CO -0.01 0.50 -0.55 0.00 -0.57 0.00 0.00 179.45 178.81 3h0l h ALA 74 N 1.50 0.99 0.00 3.86 0.00 -0.84 -3.33 119.26 121.45 3h0l h ALA 74 Ca -0.00 -0.50 -0.19 0.00 0.00 0.00 0.00 54.91 54.21 3h0l h ALA 74 Cb 0.88 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3h0l h ALA 74 CO 0.06 0.69 -2.11 1.28 0.00 0.00 0.00 179.25 179.17 3h0l n LEU 75 N -3.74 0.00 -0.39 0.00 7.99 -0.44 -4.67 117.00 115.75 3h0l n LEU 75 Ca -0.01 0.00 0.32 0.00 -0.01 0.00 0.00 56.01 56.31 3h0l n LEU 75 Cb 0.58 0.26 0.59 0.00 -0.11 0.00 0.00 43.42 44.74 3h0l n LEU 75 CO 0.41 0.26 1.17 0.00 -1.51 0.00 0.00 177.39 177.72 3h0l h MET 76 N 0.00 0.15 -0.00 3.23 -0.00 -0.68 0.25 114.93 117.88 3h0l h MET 76 Ca -0.29 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.40 3h0l h MET 76 Cb 1.62 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 33.18 3h0l h MET 76 CO 0.02 0.10 -0.26 0.09 -0.00 0.00 0.00 176.91 176.85 3h0l n ASN 77 N -4.87 0.26 -4.71 -0.10 3.02 -1.26 -4.93 115.26 102.67 3h0l n ASN 77 Ca 0.35 0.10 -0.42 0.00 -0.03 0.00 0.00 54.58 54.58 3h0l n ASN 77 Cb 1.26 -0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 40.29 3h0l n ASN 77 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h0l s ALA 78 N -2.99 3.81 0.31 5.41 0.00 0.89 -4.90 121.76 124.28 3h0l s ALA 78 Ca 0.13 1.42 0.07 0.00 0.00 0.00 0.00 51.96 53.58 3h0l s ALA 78 Cb 0.18 -3.68 0.84 0.00 0.00 0.00 0.00 23.12 20.46 3h0l s ALA 78 CO 0.62 -0.96 1.70 -1.35 0.00 0.00 0.00 175.76 175.77 3h0l h PRO 79 N 7.40 0.42 -2.92 0.00 0.11 -1.91 -3.41 132.00 131.69 3h0l h PRO 79 Ca -0.43 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.45 3h0l h PRO 79 Cb 1.21 -0.10 -0.31 0.00 0.11 0.00 0.00 31.00 31.91 3h0l h PRO 79 CO 0.94 0.28 -0.49 -2.00 -0.21 0.00 0.00 178.00 176.51 3h0l s GLU 80 N -5.82 0.19 0.11 1.05 2.12 -1.26 -5.10 118.70 109.99 3h0l s GLU 80 Ca -0.11 0.66 0.07 0.00 0.36 0.00 0.00 54.97 55.94 3h0l s GLU 80 Cb 0.27 -0.07 -0.03 0.00 0.26 0.00 0.00 34.13 34.55 3h0l s GLU 80 CO 0.79 -0.22 -0.17 -0.98 -0.54 0.00 0.00 175.26 174.13 3h0l s ARG 81 N 1.84 1.04 -0.17 4.30 1.70 -1.26 -0.73 118.95 125.67 3h0l s ARG 81 Ca -0.04 -1.15 -0.07 0.00 -0.47 0.00 0.00 55.73 53.99 3h0l s ARG 81 Cb -0.11 -1.14 0.07 0.00 -0.57 0.00 0.00 34.95 33.20 3h0l s ARG 81 CO -0.09 0.25 0.37 0.21 -1.08 0.00 0.00 175.30 174.97 3h0l s LYS 82 N -2.12 0.30 -1.23 3.89 2.20 -0.31 -4.91 119.74 117.58 3h0l s LYS 82 Ca 0.06 0.86 -0.01 0.00 -0.36 0.00 0.00 55.97 56.52 3h0l s LYS 82 Cb -0.09 0.11 0.01 0.00 -1.51 0.00 0.00 37.83 36.35 3h0l s LYS 82 CO 0.04 -0.22 0.08 -0.25 -0.36 0.00 0.00 175.35 174.64 3h0l n ASP 83 N 4.92 -4.36 0.00 1.43 8.00 -1.26 -0.62 116.55 124.66 3h0l n ASP 83 Ca -0.14 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.43 3h0l n ASP 83 Cb 0.52 -3.66 0.00 0.00 -0.02 0.00 0.00 41.12 37.95 3h0l n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h0l n GLY 84 N -0.92 0.64 3.66 0.44 0.00 -1.26 -5.07 105.19 102.67 3h0l n GLY 84 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 3h0l n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h0l s PHE 85 N -2.34 2.92 0.29 1.61 0.08 0.21 -5.10 117.98 115.66 3h0l s PHE 85 Ca 0.00 -0.06 -0.28 0.00 0.12 0.00 0.00 56.93 56.71 3h0l s PHE 85 Cb 0.00 -1.51 -0.09 0.00 -0.57 0.00 0.00 43.02 40.85 3h0l s PHE 85 CO 0.00 0.46 1.02 -0.06 -0.10 0.00 0.00 175.22 176.55 3h0l s PHE 86 N -1.28 3.66 -0.14 0.36 0.08 -1.26 -1.16 117.98 118.25 3h0l s PHE 86 Ca 0.24 1.77 0.00 0.00 0.12 0.00 0.00 56.93 59.07 3h0l s PHE 86 Cb -0.12 -3.12 -0.01 0.00 -0.57 0.00 0.00 43.02 39.21 3h0l s PHE 86 CO 0.17 -0.16 -0.15 0.08 -0.10 0.00 0.00 175.22 175.05 3h0l s VAL 87 N -1.31 2.77 0.19 -0.44 1.01 0.09 -4.85 120.40 117.86 3h0l s VAL 87 Ca 0.46 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.73 3h0l s VAL 87 Cb -0.27 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 3h0l s VAL 87 CO 0.34 0.52 -0.03 0.68 0.00 0.00 0.00 175.10 176.61 3h0l s VAL 88 N 0.56 0.98 0.43 2.92 -7.23 -1.26 -4.48 120.40 112.32 3h0l s VAL 88 Ca -0.09 -2.03 -0.26 0.00 -1.81 0.00 0.00 61.98 57.79 3h0l s VAL 88 Cb -0.16 -2.11 -0.09 0.00 0.56 0.00 0.00 36.38 34.58 3h0l s VAL 88 CO 0.04 -0.51 1.42 -0.81 -0.31 0.00 0.00 175.10 174.92 3h0l n PRO 89 N -0.29 2.27 -1.51 4.82 -0.04 -1.26 -4.87 135.00 134.11 3h0l n PRO 89 Ca -0.07 0.81 -0.45 0.00 -0.04 0.00 0.00 63.50 63.74 3h0l n PRO 89 Cb 0.63 -2.60 -0.02 0.00 -0.04 0.00 0.00 33.50 31.48 3h0l n PRO 89 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3h0l n ARG 90 N -0.05 0.83 -4.17 0.54 0.63 -1.26 -5.02 116.66 108.17 3h0l n ARG 90 Ca 0.05 0.29 -0.31 0.00 -0.92 0.00 0.00 57.85 56.96 3h0l n ARG 90 Cb 0.41 -1.55 -0.08 0.00 0.45 0.00 0.00 32.46 31.69 3h0l n ARG 90 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3h0l s VAL 91 N -1.11 4.13 -2.19 5.15 -7.23 -1.26 -5.33 120.40 112.56 3h0l s VAL 91 Ca 0.61 -0.83 0.31 0.00 -1.81 0.00 0.00 61.98 60.26 3h0l s VAL 91 Cb -0.75 -2.93 0.78 0.00 0.56 0.00 0.00 36.38 34.04 3h0l s VAL 91 CO 0.58 0.21 2.05 1.33 -0.31 0.00 0.00 175.10 178.96