#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 -1.53 -0.11 6.55 8.00 -1.26 -4.88 116.55 123.32 3h0l n ASP 3 Ca 0.00 0.33 -0.10 0.00 0.71 0.00 0.00 54.79 55.72 3h0l n ASP 3 Cb 0.00 -1.26 -0.03 0.00 -0.02 0.00 0.00 41.12 39.81 3h0l n ASP 3 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3h0l h ARG 4 N -1.68 0.54 -0.78 -1.24 2.43 -2.00 -2.89 114.38 108.77 3h0l h ARG 4 Ca -0.44 -0.15 0.16 0.00 -0.81 0.00 0.00 59.98 58.75 3h0l h ARG 4 Cb 1.28 -0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 30.66 3h0l h ARG 4 CO 0.36 0.64 0.27 1.49 -1.51 0.00 0.00 179.97 181.22 3h0l h GLU 5 N 0.37 0.35 0.30 0.20 4.81 -1.99 -1.07 114.58 117.55 3h0l h GLU 5 Ca 0.10 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3h0l h GLU 5 Cb 0.36 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3h0l h GLU 5 CO 0.01 0.23 -0.14 2.35 -0.73 0.00 0.00 179.01 180.73 3h0l h TRP 6 N 0.36 -0.37 -0.60 0.92 7.01 -1.90 -1.43 115.95 119.95 3h0l h TRP 6 Ca 0.44 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.53 3h0l h TRP 6 Cb 0.74 0.12 -0.07 0.00 -2.10 0.00 0.00 29.16 27.86 3h0l h TRP 6 CO -0.20 -0.15 0.22 0.28 -2.79 0.00 0.00 178.44 175.79 3h0l h VAL 7 N -0.52 0.77 -0.61 2.65 2.07 -1.22 -0.48 116.25 118.91 3h0l h VAL 7 Ca -0.04 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 3h0l h VAL 7 Cb 0.39 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3h0l h VAL 7 CO 0.07 0.07 0.16 -0.07 0.02 0.00 0.00 177.57 177.82 3h0l h LEU 8 N 0.40 0.87 -0.15 2.57 3.38 -1.12 -0.45 115.31 120.80 3h0l h LEU 8 Ca 0.30 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3h0l h LEU 8 Cb 0.37 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3h0l h LEU 8 CO -0.30 0.84 -0.03 0.50 0.09 0.00 0.00 178.44 179.53 3h0l h LYS 9 N 0.90 0.29 -0.44 1.13 3.64 -0.44 -1.88 116.57 119.75 3h0l h LYS 9 Ca 0.20 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 3h0l h LYS 9 Cb 0.30 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3h0l h LYS 9 CO -0.00 0.55 0.03 0.82 -2.27 0.00 0.00 179.45 178.58 3h0l h ILE 10 N -0.00 1.26 -0.56 2.00 1.08 -1.05 -2.40 117.51 117.84 3h0l h ILE 10 Ca 0.04 -0.99 0.01 0.00 -0.39 0.00 0.00 64.86 63.53 3h0l h ILE 10 Cb 0.44 1.03 -0.03 0.00 -3.07 0.00 0.00 36.82 35.19 3h0l h ILE 10 CO 0.01 0.34 0.37 0.00 -0.69 0.00 0.00 178.15 178.18 3h0l h ALA 11 N 0.92 1.60 -0.14 1.87 0.00 -1.06 -2.00 119.26 120.45 3h0l h ALA 11 Ca 0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3h0l h ALA 11 Cb 0.45 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3h0l h ALA 11 CO 0.02 0.37 -0.06 -0.22 0.00 0.00 0.00 179.25 179.36 3h0l h LYS 12 N 0.76 0.29 -0.89 0.00 3.64 -1.04 0.18 116.57 119.50 3h0l h LYS 12 Ca 0.20 -0.12 0.13 0.00 -1.27 0.00 0.00 60.65 59.59 3h0l h LYS 12 Cb -0.09 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.65 3h0l h LYS 12 CO -0.04 0.60 0.57 -0.07 -2.27 0.00 0.00 179.45 178.24 3h0l h LEU 13 N -0.04 0.71 -0.80 5.20 3.38 -1.05 -1.31 115.31 121.41 3h0l h LEU 13 Ca 0.03 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3h0l h LEU 13 Cb 0.51 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3h0l h LEU 13 CO 0.02 0.38 -0.20 0.00 0.09 0.00 0.00 178.44 178.73 3h0l n ALA 14 N -2.42 2.96 -3.32 1.53 0.00 -0.79 -4.97 120.51 113.51 3h0l n ALA 14 Ca 0.17 -0.47 -0.16 0.00 0.00 0.00 0.00 53.44 52.98 3h0l n ALA 14 Cb 0.41 -1.07 0.08 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.19 -5.20 -4.00 0.00 5.12 0.14 -5.02 116.66 107.50 3h0l n ARG 15 Ca 0.14 0.82 -0.34 0.00 -1.93 0.00 0.00 57.85 56.54 3h0l n ARG 15 Cb 0.38 -5.71 -0.15 0.00 -1.16 0.00 0.00 32.46 25.82 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 -5.94 2.79 -0.91 0.55 1.43 0.40 -5.03 118.68 111.97 3h0l s LEU 16 Ca 0.12 -0.70 -0.19 0.00 -1.03 0.00 0.00 54.13 52.33 3h0l s LEU 16 Cb -0.02 -1.62 0.13 0.00 0.03 0.00 0.00 46.19 44.71 3h0l s LEU 16 CO 0.70 -0.06 1.11 -0.70 0.23 0.00 0.00 176.35 177.63 3h0l s GLU 17 N 1.34 3.58 0.29 1.70 2.12 -1.26 -4.41 118.70 122.06 3h0l s GLU 17 Ca 0.03 -1.74 -0.29 0.00 0.36 0.00 0.00 54.97 53.32 3h0l s GLU 17 Cb -0.15 -4.87 -0.10 0.00 0.26 0.00 0.00 34.13 29.27 3h0l s GLU 17 CO -0.07 -1.76 1.30 -0.51 -0.54 0.00 0.00 175.26 173.68 3h0l s LEU 18 N 2.67 4.44 0.48 2.70 1.43 -1.26 -5.01 118.68 124.12 3h0l s LEU 18 Ca 0.32 2.57 -0.20 0.00 -1.03 0.00 0.00 54.13 55.79 3h0l s LEU 18 Cb -0.06 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.44 3h0l s LEU 18 CO -0.09 -0.50 1.00 -0.54 0.23 0.00 0.00 176.35 176.45 3h0l s LYS 19 N -1.23 3.96 0.48 1.70 1.02 -1.26 -4.88 119.74 119.54 3h0l s LYS 19 Ca 0.51 1.19 0.19 0.00 0.02 0.00 0.00 55.97 57.88 3h0l s LYS 19 Cb -0.38 -2.13 1.21 0.00 -0.52 0.00 0.00 37.83 36.01 3h0l s LYS 19 CO 0.47 -0.27 1.99 1.49 -0.92 0.00 0.00 175.35 178.11 3h0l h GLU 20 N 1.51 0.19 -0.74 1.68 4.57 -2.01 0.76 114.58 120.55 3h0l h GLU 20 Ca -0.49 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3h0l h GLU 20 Cb 1.20 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.71 3h0l h GLU 20 CO 0.60 0.13 0.45 0.93 -1.18 0.00 0.00 179.01 179.94 3h0l h GLU 21 N 0.20 1.00 -0.16 1.92 3.07 -2.01 -3.20 114.58 115.39 3h0l h GLU 21 Ca 0.26 -0.08 -0.08 0.00 -0.50 0.00 0.00 59.36 58.95 3h0l h GLU 21 Cb 0.76 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.45 3h0l h GLU 21 CO -0.05 0.70 -0.23 0.93 -1.40 0.00 0.00 179.01 178.97 3h0l h GLU 22 N 1.01 0.44 -0.93 2.33 5.08 -1.24 -2.77 114.58 118.51 3h0l h GLU 22 Ca 0.27 -0.26 0.21 0.00 -1.00 0.00 0.00 59.36 58.58 3h0l h GLU 22 Cb -0.05 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.10 3h0l h GLU 22 CO -0.05 0.84 0.48 0.82 -1.00 0.00 0.00 179.01 180.10 3h0l h ILE 23 N 0.08 0.57 0.00 3.13 2.04 -1.44 0.36 117.51 122.25 3h0l h ILE 23 Ca 0.02 -0.18 -0.19 0.00 1.00 0.00 0.00 64.86 65.50 3h0l h ILE 23 Cb 0.79 -0.01 0.02 0.00 -0.74 0.00 0.00 36.82 36.87 3h0l h ILE 23 CO 0.05 0.10 -0.75 -0.33 0.00 0.00 0.00 178.15 177.23 3h0l h GLU 24 N 0.54 0.50 -0.27 2.37 5.08 -1.54 -2.70 114.58 118.56 3h0l h GLU 24 Ca 0.57 -0.54 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3h0l h GLU 24 Cb 1.01 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3h0l h GLU 24 CO -0.46 1.18 0.04 0.28 -1.00 0.00 0.00 179.01 179.04 3h0l h VAL 25 N 0.05 1.23 0.00 3.13 2.07 -1.15 -3.02 116.25 118.56 3h0l h VAL 25 Ca -0.09 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3h0l h VAL 25 Cb 1.44 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 3h0l h VAL 25 CO 0.15 0.26 0.00 -0.26 0.02 0.00 0.00 177.57 177.74 3h0l h PHE 26 N 0.26 0.00 0.22 1.57 0.04 -0.37 -1.24 116.94 117.41 3h0l h PHE 26 Ca 0.08 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 3h0l h PHE 26 Cb 0.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.50 3h0l h PHE 26 CO 0.02 0.00 -0.10 1.96 -0.60 0.00 0.00 178.31 179.59 3h0l h GLN 27 N 0.00 -0.28 -0.08 1.51 4.20 -1.35 -1.92 115.11 117.19 3h0l h GLN 27 Ca 0.00 0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 3h0l h GLN 27 Cb 0.45 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.30 3h0l h GLN 27 CO 0.00 -0.08 -0.26 -0.22 -0.67 0.00 0.00 178.83 177.60 3h0l h LYS 28 N -0.43 0.32 -0.39 1.46 3.64 -1.45 -2.77 116.57 116.94 3h0l h LYS 28 Ca -0.03 -0.24 0.03 0.00 -1.27 0.00 0.00 60.65 59.14 3h0l h LYS 28 Cb 0.33 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 3h0l h LYS 28 CO 0.05 0.86 0.20 1.96 -2.27 0.00 0.00 179.45 180.25 3h0l h GLN 29 N -0.17 0.40 -0.33 1.90 4.20 -1.35 -0.48 115.11 119.29 3h0l h GLN 29 Ca -0.01 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.51 3h0l h GLN 29 Cb 0.89 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.58 3h0l h GLN 29 CO 0.06 0.26 -0.45 -0.07 -0.67 0.00 0.00 178.83 177.96 3h0l h LEU 30 N 0.41 0.92 -0.45 1.46 3.38 -1.44 -0.84 115.31 118.75 3h0l h LEU 30 Ca 0.16 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 57.74 3h0l h LEU 30 Cb 0.06 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3h0l h LEU 30 CO -0.11 1.23 0.20 0.28 0.09 0.00 0.00 178.44 180.13 3h0l h SER 31 N 0.68 0.25 -0.03 -0.43 0.02 -1.31 0.21 113.55 112.94 3h0l h SER 31 Ca 0.04 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3h0l h SER 31 Cb 1.03 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 3h0l h SER 31 CO 0.10 0.18 -0.07 0.44 -1.14 0.00 0.00 176.83 176.35 3h0l h ASP 32 N 0.39 -0.20 -0.73 3.07 5.19 -0.84 -1.66 116.42 121.65 3h0l h ASP 32 Ca 0.21 0.04 -0.06 0.00 -0.62 0.00 0.00 57.03 56.59 3h0l h ASP 32 Cb 0.16 0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.73 3h0l h ASP 32 CO -0.18 -0.10 0.22 0.40 -3.12 0.00 0.00 179.24 176.47 3h0l h ILE 33 N -0.10 1.26 -0.36 0.35 2.04 -0.86 0.28 117.51 120.12 3h0l h ILE 33 Ca 0.04 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 3h0l h ILE 33 Cb 0.15 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 3h0l h ILE 33 CO -0.09 0.36 0.12 -0.07 0.00 0.00 0.00 178.15 178.47 3h0l h LEU 34 N 1.10 0.47 -0.14 1.44 4.07 -0.41 -0.01 115.31 121.82 3h0l h LEU 34 Ca 0.24 -0.05 -0.23 0.00 0.08 0.00 0.00 57.88 57.92 3h0l h LEU 34 Cb 0.32 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 41.94 3h0l h LEU 34 CO -0.01 0.45 -0.99 0.44 -1.08 0.00 0.00 178.44 177.25 3h0l h ASP 35 N 0.51 0.45 -0.39 -0.43 3.32 -0.70 -3.15 116.42 116.03 3h0l h ASP 35 Ca 0.13 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 3h0l h ASP 35 Cb 0.14 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3h0l h ASP 35 CO -0.01 1.20 0.24 0.15 -1.72 0.00 0.00 179.24 179.11 3h0l h PHE 36 N 0.17 0.51 -0.01 4.55 3.57 0.50 -3.07 116.94 123.16 3h0l h PHE 36 Ca -0.08 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.42 3h0l h PHE 36 Cb 1.64 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.21 3h0l h PHE 36 CO 0.05 0.36 -0.17 0.44 -2.23 0.00 0.00 178.31 176.76 3h0l n ILE 37 N -4.78 0.00 -1.56 1.41 -5.35 -0.11 -4.56 119.36 104.41 3h0l n ILE 37 Ca 0.00 -0.20 -0.40 0.00 -0.27 0.00 0.00 62.75 61.89 3h0l n ILE 37 Cb 0.05 0.54 -0.02 0.00 -1.74 0.00 0.00 39.64 38.47 3h0l n ILE 37 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3h0l n ASP 38 N -0.23 7.16 -0.03 7.28 2.03 -1.16 -4.30 116.55 127.29 3h0l n ASP 38 Ca 0.14 -2.74 0.02 0.00 0.52 0.00 0.00 54.79 52.74 3h0l n ASP 38 Cb 0.37 -1.56 -0.02 0.00 -0.72 0.00 0.00 41.12 39.19 3h0l n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h0l n GLN 39 N 4.06 4.67 0.19 -0.67 1.13 -1.26 -4.82 117.38 120.69 3h0l n GLN 39 Ca 0.67 -0.10 0.10 0.00 -1.94 0.00 0.00 57.00 55.74 3h0l n GLN 39 Cb 0.28 -0.78 0.13 0.00 0.11 0.00 0.00 30.24 29.98 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 0.13 0.00 -1.63 1.08 3.38 -1.98 -3.29 115.31 113.00 3h0l h LEU 40 Ca 0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 3h0l h LEU 40 Cb 0.13 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3h0l h LEU 40 CO 0.00 0.08 0.51 0.11 0.09 0.00 0.00 178.44 179.23 3h0l h LYS 41 N 0.00 0.35 -0.32 1.13 1.57 -1.95 -1.11 116.57 116.24 3h0l h LYS 41 Ca -0.00 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.85 3h0l h LYS 41 Cb 1.06 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 3h0l h LYS 41 CO 0.01 0.23 0.25 0.93 -0.57 0.00 0.00 179.45 180.29 3h0l h GLU 42 N 0.36 0.00 -6.34 3.15 5.08 -1.96 -3.42 114.58 111.45 3h0l h GLU 42 Ca 0.37 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.18 3h0l h GLU 42 Cb 0.94 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 3h0l h GLU 42 CO -0.11 0.00 -0.03 -0.51 -1.00 0.00 0.00 179.01 177.36 3h0l s LEU 43 N -8.61 4.40 -0.22 1.33 1.43 -0.42 -5.05 118.68 111.54 3h0l s LEU 43 Ca -0.05 1.20 -0.21 0.00 -1.03 0.00 0.00 54.13 54.05 3h0l s LEU 43 Cb 0.18 -3.20 -0.02 0.00 0.03 0.00 0.00 46.19 43.18 3h0l s LEU 43 CO 0.68 0.15 0.63 -0.62 0.23 0.00 0.00 176.35 177.42 3h0l s ASP 44 N -1.50 6.64 0.00 2.29 2.15 -1.26 -4.90 116.67 120.09 3h0l s ASP 44 Ca 0.36 0.79 0.00 0.00 0.43 0.00 0.00 52.55 54.12 3h0l s ASP 44 Cb -0.17 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 3h0l s ASP 44 CO 0.19 -0.32 0.39 0.35 -0.17 0.00 0.00 175.17 175.62 3h0l n THR 45 N 4.90 0.11 -1.69 1.71 -2.24 -1.26 -4.87 114.28 110.94 3h0l n THR 45 Ca -0.01 -0.14 -0.52 0.00 -2.27 0.00 0.00 64.05 61.11 3h0l n THR 45 Cb 0.49 1.27 -0.06 0.00 -2.10 0.00 0.00 70.33 69.94 3h0l n THR 45 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3h0l n GLU 46 N -0.05 1.72 -0.94 -0.78 4.71 -1.26 -2.46 120.64 121.58 3h0l n GLU 46 Ca 0.00 0.63 0.00 0.00 -0.01 0.00 0.00 57.16 57.78 3h0l n GLU 46 Cb 0.36 -2.40 0.00 0.00 -1.01 0.00 0.00 31.44 28.39 3h0l n GLU 46 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3h0l n ASN 47 N 5.74 -2.81 -4.36 1.62 3.02 -1.26 -5.05 115.26 112.17 3h0l n ASN 47 Ca 0.24 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.45 3h0l n ASN 47 Cb 0.22 -0.47 -0.14 0.00 -0.61 0.00 0.00 39.78 38.78 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 -2.00 3.06 0.08 2.41 1.01 -1.03 -5.12 120.40 118.81 3h0l s VAL 48 Ca 0.00 -0.65 -0.26 0.00 0.00 0.00 0.00 61.98 61.07 3h0l s VAL 48 Cb 0.00 -2.29 -0.06 0.00 0.00 0.00 0.00 36.38 34.02 3h0l s VAL 48 CO 0.00 0.51 0.81 -1.61 0.00 0.00 0.00 175.10 174.82 3h0l s GLU 49 N 0.50 4.56 0.42 2.72 0.41 -1.26 -5.02 118.70 121.03 3h0l s GLU 49 Ca -0.09 1.17 -0.25 0.00 -0.41 0.00 0.00 54.97 55.40 3h0l s GLU 49 Cb -0.16 -3.35 -0.10 0.00 -1.78 0.00 0.00 34.13 28.74 3h0l s GLU 49 CO 0.04 0.33 1.07 -0.35 -0.49 0.00 0.00 175.26 175.86 3h0l n PRO 50 N 2.55 1.47 -1.76 0.39 -0.04 -1.26 -4.88 135.00 131.48 3h0l n PRO 50 Ca -0.02 0.53 -0.42 0.00 -0.04 0.00 0.00 63.50 63.55 3h0l n PRO 50 Cb 0.50 -2.12 -0.03 0.00 -0.04 0.00 0.00 33.50 31.81 3h0l n PRO 50 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3h0l s TYR 51 N -1.25 2.27 0.08 0.54 5.04 -1.26 -5.03 117.35 117.73 3h0l s TYR 51 Ca 0.63 0.08 0.05 0.00 -2.44 0.00 0.00 57.07 55.39 3h0l s TYR 51 Cb -0.55 -4.13 -0.03 0.00 0.35 0.00 0.00 41.96 37.60 3h0l s TYR 51 CO 0.57 -4.61 -0.13 0.42 -1.34 0.00 0.00 175.55 170.46 3h0l s ILE 52 N 2.58 1.07 0.49 3.14 1.01 -1.26 -5.13 121.20 123.10 3h0l s ILE 52 Ca 0.79 -1.35 -0.22 0.00 0.00 0.00 0.00 60.65 59.87 3h0l s ILE 52 Cb -0.45 -1.10 -0.07 0.00 0.01 0.00 0.00 42.46 40.86 3h0l s ILE 52 CO 0.35 -0.28 1.19 0.00 0.00 0.00 0.00 174.94 176.20 3h0l s GLN 53 N -1.89 3.57 0.35 2.79 -2.07 -1.26 -4.99 119.66 116.15 3h0l s GLN 53 Ca -0.01 1.83 -0.27 0.00 -1.82 0.00 0.00 55.36 55.09 3h0l s GLN 53 Cb -0.09 -2.31 -0.09 0.00 -1.09 0.00 0.00 33.01 29.43 3h0l s GLN 53 CO 0.02 -0.73 1.20 -2.00 -1.32 0.00 0.00 175.29 172.46 3h0l s GLU 54 N -2.83 4.27 -0.15 9.60 2.12 -1.26 -5.04 118.70 125.39 3h0l s GLU 54 Ca 0.67 1.96 -0.28 0.00 0.36 0.00 0.00 54.97 57.67 3h0l s GLU 54 Cb -0.30 -2.91 0.07 0.00 0.26 0.00 0.00 34.13 31.25 3h0l s GLU 54 CO 0.36 -0.17 0.71 -0.59 -0.54 0.00 0.00 175.26 175.02 3h0l s PHE 55 N -1.27 -0.71 -0.13 5.30 -0.71 -1.26 -5.09 117.98 114.10 3h0l s PHE 55 Ca 0.52 1.49 -0.13 0.00 -1.04 0.00 0.00 56.93 57.76 3h0l s PHE 55 Cb -0.34 0.35 -0.11 0.00 -1.21 0.00 0.00 43.02 41.71 3h0l s PHE 55 CO 0.44 -0.50 0.25 1.49 -1.34 0.00 0.00 175.22 175.56 3h0l h GLU 56 N 3.91 0.00 -6.24 1.99 4.57 -2.07 -3.47 114.58 113.27 3h0l h GLU 56 Ca -0.28 0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 57.33 3h0l h GLU 56 Cb 1.15 0.00 -0.20 0.00 -0.16 0.00 0.00 28.75 29.54 3h0l h GLU 56 CO 0.23 0.45 -0.82 -1.21 -1.18 0.00 0.00 179.01 176.48 3h0l s GLU 57 N -1.97 1.25 0.04 1.92 2.02 -1.26 -5.10 118.70 115.59 3h0l s GLU 57 Ca -0.12 -1.30 -0.30 0.00 0.02 0.00 0.00 54.97 53.27 3h0l s GLU 57 Cb 0.00 -1.49 -0.08 0.00 0.10 0.00 0.00 34.13 32.66 3h0l s GLU 57 CO 0.33 0.33 1.79 0.99 0.02 0.00 0.00 175.26 178.72 3h0l s THR 58 N -1.47 3.09 -0.04 3.63 2.01 -1.26 -4.95 115.64 116.64 3h0l s THR 58 Ca 0.12 0.31 -0.29 0.00 0.31 0.00 0.00 61.69 62.13 3h0l s THR 58 Cb -0.08 -3.20 -0.08 0.00 0.01 0.00 0.00 72.50 69.15 3h0l s THR 58 CO 0.06 -0.02 2.02 -2.16 -0.69 0.00 0.00 174.62 173.83 3h0l s PRO 59 N 3.65 3.85 0.28 4.92 0.04 -1.26 -5.00 135.00 141.48 3h0l s PRO 59 Ca 0.80 2.41 0.04 0.00 0.04 0.00 0.00 61.00 64.30 3h0l s PRO 59 Cb -0.40 -4.21 -0.06 0.00 0.04 0.00 0.00 34.50 29.87 3h0l s PRO 59 CO 0.35 -1.28 0.02 -1.64 0.04 0.00 0.00 177.00 174.49 3h0l s MET 60 N 4.98 1.52 0.01 4.56 -1.94 -1.26 -5.15 119.30 122.01 3h0l s MET 60 Ca 0.91 -1.80 0.03 0.00 -1.71 0.00 0.00 55.69 53.12 3h0l s MET 60 Cb -0.39 -0.82 -0.01 0.00 2.01 0.00 0.00 34.83 35.61 3h0l s MET 60 CO 0.39 -0.12 -0.11 0.50 -0.01 0.00 0.00 175.02 175.68 3h0l s ARG 61 N -3.85 0.80 0.61 2.03 3.52 -1.26 -5.13 118.95 115.66 3h0l s ARG 61 Ca 0.32 -0.50 -0.18 0.00 -0.13 0.00 0.00 55.73 55.24 3h0l s ARG 61 Cb 0.07 -0.77 -0.03 0.00 -1.56 0.00 0.00 34.95 32.66 3h0l s ARG 61 CO 0.12 0.20 1.20 -1.21 -0.81 0.00 0.00 175.30 174.80 3h0l s GLU 62 N -0.61 2.92 -1.48 5.12 0.41 -1.26 -4.91 118.70 118.89 3h0l s GLU 62 Ca 0.02 1.78 -0.12 0.00 -0.41 0.00 0.00 54.97 56.24 3h0l s GLU 62 Cb -0.05 -1.93 0.03 0.00 -1.78 0.00 0.00 34.13 30.39 3h0l s GLU 62 CO 0.00 -1.24 2.39 -3.47 -0.49 0.00 0.00 175.26 172.45 3h0l n ASP 63 N -1.72 5.49 -4.09 -0.19 2.03 -1.26 -4.87 116.55 111.93 3h0l n ASP 63 Ca 0.13 -2.82 -0.30 0.00 0.52 0.00 0.00 54.79 52.33 3h0l n ASP 63 Cb 0.50 -1.60 -0.17 0.00 -0.72 0.00 0.00 41.12 39.14 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 2.38 2.45 0.24 -0.67 2.02 -1.26 -5.12 118.70 118.73 3h0l s GLU 64 Ca 0.52 -0.65 -0.31 0.00 0.02 0.00 0.00 54.97 54.55 3h0l s GLU 64 Cb 0.15 -2.03 -0.14 0.00 0.10 0.00 0.00 34.13 32.21 3h0l s GLU 64 CO -0.07 -0.03 1.29 -2.30 0.02 0.00 0.00 175.26 174.17 3h0l n PRO 65 N 4.11 1.75 -4.27 0.39 -0.02 -1.26 -5.03 135.00 130.66 3h0l n PRO 65 Ca -0.19 0.62 -0.31 0.00 -2.02 0.00 0.00 63.50 61.59 3h0l n PRO 65 Cb 0.51 -2.20 -0.09 0.00 -0.02 0.00 0.00 33.50 31.70 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 -0.28 2.97 -0.04 6.00 3.76 -1.26 -5.07 115.29 121.36 3h0l s HIS 66 Ca 0.67 -0.01 -0.35 0.00 -0.15 0.00 0.00 55.06 55.23 3h0l s HIS 66 Cb -0.70 -1.59 -0.13 0.00 1.11 0.00 0.00 32.58 31.28 3h0l s HIS 66 CO 0.52 0.44 1.79 -2.30 -0.85 0.00 0.00 174.74 174.34 3h0l n PRO 67 N 1.08 2.07 -0.90 8.40 -0.02 -1.26 -4.96 135.00 139.40 3h0l n PRO 67 Ca -0.13 0.75 -0.29 0.00 -2.02 0.00 0.00 63.50 61.81 3h0l n PRO 67 Cb 0.52 -2.56 0.20 0.00 -0.02 0.00 0.00 33.50 31.64 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 3.21 2.06 0.33 2.55 0.01 -1.26 -5.01 113.70 115.59 3h0l s SER 68 Ca 0.90 1.40 -0.28 0.00 1.31 0.00 0.00 55.95 59.28 3h0l s SER 68 Cb -0.73 -2.10 -0.09 0.00 0.21 0.00 0.00 66.02 63.31 3h0l s SER 68 CO 0.49 -3.51 1.12 -0.22 0.41 0.00 0.00 173.24 171.53 3h0l s LEU 69 N -6.75 4.40 0.19 2.44 2.96 -1.26 -4.98 118.68 115.68 3h0l s LEU 69 Ca 0.66 2.29 -0.32 0.00 -0.22 0.00 0.00 54.13 56.54 3h0l s LEU 69 Cb -0.21 -3.80 -0.12 0.00 0.50 0.00 0.00 46.19 42.56 3h0l s LEU 69 CO 0.60 -0.34 1.73 -0.67 -1.32 0.00 0.00 176.35 176.35 3h0l n ASP 70 N 0.72 3.89 -0.02 3.68 2.03 -1.26 -4.84 116.55 120.76 3h0l n ASP 70 Ca 0.01 1.05 0.15 0.00 0.52 0.00 0.00 54.79 56.52 3h0l n ASP 70 Cb 0.46 -1.55 0.59 0.00 -0.72 0.00 0.00 41.12 39.89 3h0l n ASP 70 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3h0l h ARG 71 N 6.95 0.20 -0.45 -0.67 2.43 -1.98 -0.34 114.38 120.52 3h0l h ARG 71 Ca -0.44 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.67 3h0l h ARG 71 Cb 1.21 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 3h0l h ARG 71 CO 0.95 0.13 0.10 1.49 -1.51 0.00 0.00 179.97 181.13 3h0l h GLU 72 N 0.20 0.72 -0.05 0.20 4.81 -1.98 -1.08 114.58 117.40 3h0l h GLU 72 Ca 0.24 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 3h0l h GLU 72 Cb 0.68 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3h0l h GLU 72 CO -0.04 0.73 -0.39 0.87 -0.73 0.00 0.00 179.01 179.45 3h0l h LYS 73 N 0.60 0.11 0.00 1.92 1.57 -1.55 0.13 116.57 119.34 3h0l h LYS 73 Ca 0.14 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 3h0l h LYS 73 Cb 0.34 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3h0l h LYS 73 CO 0.00 0.48 -0.43 0.00 -0.57 0.00 0.00 179.45 178.93 3h0l h ALA 74 N 1.51 1.04 0.00 3.86 0.00 -0.81 -3.33 119.26 121.54 3h0l h ALA 74 Ca 0.01 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 3h0l h ALA 74 Cb 0.73 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3h0l h ALA 74 CO 0.05 0.54 -1.89 1.28 0.00 0.00 0.00 179.25 179.24 3h0l n LEU 75 N -3.67 0.00 -0.41 0.00 7.99 -0.44 -4.68 117.00 115.79 3h0l n LEU 75 Ca -0.01 0.00 0.34 0.00 -0.01 0.00 0.00 56.01 56.33 3h0l n LEU 75 Cb 0.52 0.17 0.61 0.00 -0.11 0.00 0.00 43.42 44.61 3h0l n LEU 75 CO 0.38 0.17 1.21 0.00 -1.51 0.00 0.00 177.39 177.64 3h0l h MET 76 N 0.00 0.14 -0.01 3.23 -0.00 -0.85 0.27 114.93 117.71 3h0l h MET 76 Ca -0.18 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.51 3h0l h MET 76 Cb 1.28 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.85 3h0l h MET 76 CO 0.01 0.09 -0.21 0.09 -0.00 0.00 0.00 176.91 176.89 3h0l n ASN 77 N -4.75 0.74 -4.69 -0.10 3.02 -1.26 -4.92 115.26 103.29 3h0l n ASN 77 Ca 0.35 -0.68 -0.42 0.00 -0.03 0.00 0.00 54.58 53.80 3h0l n ASN 77 Cb 1.31 0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 40.49 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 -2.54 3.67 0.31 5.41 0.00 0.96 -4.91 121.76 124.66 3h0l s ALA 78 Ca 0.25 1.17 0.07 0.00 0.00 0.00 0.00 51.96 53.45 3h0l s ALA 78 Cb 0.19 -3.69 0.84 0.00 0.00 0.00 0.00 23.12 20.47 3h0l s ALA 78 CO 0.52 -1.09 1.67 -1.35 0.00 0.00 0.00 175.76 175.50 3h0l h PRO 79 N 8.31 0.29 -2.98 0.00 0.11 -1.91 -3.41 132.00 132.42 3h0l h PRO 79 Ca -0.42 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.48 3h0l h PRO 79 Cb 1.20 -0.07 -0.30 0.00 0.11 0.00 0.00 31.00 31.94 3h0l h PRO 79 CO 0.93 0.19 -0.47 -2.00 -0.21 0.00 0.00 178.00 176.44 3h0l s GLU 80 N -5.83 0.22 0.10 1.05 2.12 -1.26 -5.10 118.70 110.00 3h0l s GLU 80 Ca -0.11 0.57 0.05 0.00 0.36 0.00 0.00 54.97 55.84 3h0l s GLU 80 Cb 0.27 -0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.52 3h0l s GLU 80 CO 0.78 -0.17 -0.12 -0.98 -0.54 0.00 0.00 175.26 174.22 3h0l s ARG 81 N 1.38 0.91 -0.22 4.30 1.70 -1.26 -0.96 118.95 124.79 3h0l s ARG 81 Ca -0.08 -1.15 -0.09 0.00 -0.47 0.00 0.00 55.73 53.94 3h0l s ARG 81 Cb -0.10 -0.74 0.09 0.00 -0.57 0.00 0.00 34.95 33.63 3h0l s ARG 81 CO -0.09 0.14 0.48 0.21 -1.08 0.00 0.00 175.30 174.96 3h0l s LYS 82 N -2.53 0.42 -1.20 3.89 2.20 -0.14 -4.90 119.74 117.48 3h0l s LYS 82 Ca 0.05 1.07 0.00 0.00 -0.36 0.00 0.00 55.97 56.74 3h0l s LYS 82 Cb -0.05 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 3h0l s LYS 82 CO 0.02 -0.21 0.00 -0.25 -0.36 0.00 0.00 175.35 174.54 3h0l n ASP 83 N 5.06 -4.26 0.00 1.43 8.00 -1.26 -0.71 116.55 124.81 3h0l n ASP 83 Ca -0.13 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.53 3h0l n ASP 83 Cb 0.51 -3.62 0.00 0.00 -0.02 0.00 0.00 41.12 38.00 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 -0.83 0.60 3.77 0.44 0.00 -1.26 -5.08 105.19 102.83 3h0l n GLY 84 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.38 3.20 0.25 1.61 0.08 0.11 -5.09 117.98 115.75 3h0l s PHE 85 Ca 0.00 0.11 -0.30 0.00 0.12 0.00 0.00 56.93 56.86 3h0l s PHE 85 Cb 0.00 -1.65 -0.09 0.00 -0.57 0.00 0.00 43.02 40.71 3h0l s PHE 85 CO 0.00 0.52 1.04 -0.06 -0.10 0.00 0.00 175.22 176.62 3h0l s PHE 86 N -1.32 3.74 -0.11 0.36 0.08 -1.26 -0.96 117.98 118.50 3h0l s PHE 86 Ca 0.27 1.77 0.01 0.00 0.12 0.00 0.00 56.93 59.11 3h0l s PHE 86 Cb -0.12 -3.17 -0.01 0.00 -0.57 0.00 0.00 43.02 39.15 3h0l s PHE 86 CO 0.19 -0.17 -0.16 0.08 -0.10 0.00 0.00 175.22 175.07 3h0l s VAL 87 N -1.01 2.83 0.15 -0.44 1.01 -0.14 -4.86 120.40 117.94 3h0l s VAL 87 Ca 0.44 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.67 3h0l s VAL 87 Cb -0.29 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3h0l s VAL 87 CO 0.37 0.54 0.01 0.68 0.00 0.00 0.00 175.10 176.69 3h0l s VAL 88 N 0.16 0.51 0.48 2.92 -7.23 -1.26 -4.49 120.40 111.49 3h0l s VAL 88 Ca -0.09 -1.95 -0.24 0.00 -1.81 0.00 0.00 61.98 57.90 3h0l s VAL 88 Cb -0.15 -2.01 -0.07 0.00 0.56 0.00 0.00 36.38 34.70 3h0l s VAL 88 CO 0.05 -0.55 1.40 -2.16 -0.31 0.00 0.00 175.10 173.53 3h0l s PRO 89 N -3.94 3.52 0.39 4.82 0.04 -1.26 -4.88 135.00 133.69 3h0l s PRO 89 Ca 0.22 2.35 -0.25 0.00 0.04 0.00 0.00 61.00 63.36 3h0l s PRO 89 Cb 0.06 -2.53 -0.12 0.00 0.04 0.00 0.00 34.50 31.96 3h0l s PRO 89 CO 0.02 -0.93 0.89 -2.13 0.04 0.00 0.00 177.00 174.89 3h0l n ARG 90 N -0.45 1.14 -4.22 4.56 0.63 -1.26 -5.02 116.66 112.03 3h0l n ARG 90 Ca 0.07 0.41 -0.28 0.00 -0.92 0.00 0.00 57.85 57.12 3h0l n ARG 90 Cb 0.43 -1.86 -0.09 0.00 0.45 0.00 0.00 32.46 31.39 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 -1.28 3.50 -2.29 5.15 -7.23 -1.26 -5.33 120.40 111.67 3h0l s VAL 91 Ca 0.63 -1.36 0.30 0.00 -1.81 0.00 0.00 61.98 59.74 3h0l s VAL 91 Cb -0.60 -2.69 0.70 0.00 0.56 0.00 0.00 36.38 34.35 3h0l s VAL 91 CO 0.57 0.01 1.95 0.55 -0.31 0.00 0.00 175.10 177.88