#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0m n ASP 3 N 0.00 -0.55 0.16 6.55 9.92 -1.26 -4.88 116.55 126.49 3h0m n ASP 3 Ca 0.00 0.47 -0.14 0.00 -0.53 0.00 0.00 54.79 54.58 3h0m n ASP 3 Cb 0.00 -1.35 -0.08 0.00 -0.64 0.00 0.00 41.12 39.05 3h0m n ASP 3 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3h0m h ARG 4 N -1.25 -0.33 -0.92 -1.24 2.43 -1.99 -2.67 114.38 108.41 3h0m h ARG 4 Ca -0.44 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 58.91 3h0m h ARG 4 Cb 1.30 0.07 -0.16 0.00 -0.42 0.00 0.00 29.97 30.76 3h0m h ARG 4 CO 0.40 -0.17 -0.30 -1.91 -1.51 0.00 0.00 179.97 176.49 3h0m n GLU 5 N -5.21 -0.15 0.06 0.20 2.13 -1.26 -1.36 120.64 115.05 3h0m n GLU 5 Ca -0.10 1.43 -0.11 0.00 0.66 0.00 0.00 57.16 59.05 3h0m n GLU 5 Cb 0.18 -2.13 -0.05 0.00 0.27 0.00 0.00 31.44 29.71 3h0m n GLU 5 CO 0.00 0.00 0.00 2.35 -0.41 0.00 0.00 177.13 179.07 3h0m h TRP 6 N 0.00 -0.35 -0.29 4.31 7.01 -1.89 -1.95 115.95 122.79 3h0m h TRP 6 Ca 0.38 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.44 3h0m h TRP 6 Cb 0.61 0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 27.78 3h0m h TRP 6 CO -0.76 -0.20 -0.02 0.28 -2.79 0.00 0.00 178.44 174.94 3h0m h VAL 7 N -0.23 0.76 -0.49 2.65 2.07 -0.87 -1.73 116.25 118.42 3h0m h VAL 7 Ca 0.04 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 3h0m h VAL 7 Cb 0.29 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3h0m h VAL 7 CO -0.13 0.01 0.28 -0.07 0.02 0.00 0.00 177.57 177.69 3h0m h LEU 8 N 0.06 0.59 -0.49 2.57 3.38 -1.20 -1.19 115.31 119.03 3h0m h LEU 8 Ca 0.14 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3h0m h LEU 8 Cb 0.20 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3h0m h LEU 8 CO -0.26 0.49 0.29 0.50 0.09 0.00 0.00 178.44 179.55 3h0m h LYS 9 N 0.65 0.55 -0.34 1.13 3.64 -1.12 -0.13 116.57 120.95 3h0m h LYS 9 Ca 0.17 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.38 3h0m h LYS 9 Cb 0.02 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3h0m h LYS 9 CO -0.03 0.36 -0.33 0.82 -2.27 0.00 0.00 179.45 178.00 3h0m h ILE 10 N 0.57 1.29 -0.46 2.00 1.08 -1.13 -2.39 117.51 118.47 3h0m h ILE 10 Ca 0.20 -1.51 -0.00 0.00 -0.39 0.00 0.00 64.86 63.16 3h0m h ILE 10 Cb 0.04 1.48 -0.02 0.00 -3.07 0.00 0.00 36.82 35.24 3h0m h ILE 10 CO -0.10 0.49 0.27 0.00 -0.69 0.00 0.00 178.15 178.13 3h0m h ALA 11 N 0.74 0.59 -0.33 1.87 0.00 -0.97 -2.00 119.26 119.15 3h0m h ALA 11 Ca 0.05 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3h0m h ALA 11 Cb 0.92 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3h0m h ALA 11 CO 0.08 0.08 0.10 -0.22 0.00 0.00 0.00 179.25 179.29 3h0m h LYS 12 N 0.61 0.22 -0.03 0.00 3.64 -0.97 0.39 116.57 120.43 3h0m h LYS 12 Ca 0.16 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3h0m h LYS 12 Cb 0.01 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3h0m h LYS 12 CO -0.03 0.15 0.02 -0.07 -2.27 0.00 0.00 179.45 177.25 3h0m h LEU 13 N 0.23 0.02 -1.63 5.20 3.38 -0.95 -1.68 115.31 119.89 3h0m h LEU 13 Ca 0.15 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3h0m h LEU 13 Cb 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3h0m h LEU 13 CO -0.17 0.01 -0.08 0.00 0.09 0.00 0.00 178.44 178.30 3h0m n ALA 14 N -2.54 2.66 -3.48 1.53 0.00 -0.60 -4.98 120.51 113.10 3h0m n ALA 14 Ca -0.02 -0.64 -0.21 0.00 0.00 0.00 0.00 53.44 52.56 3h0m n ALA 14 Cb 0.10 -0.86 0.06 0.00 0.00 0.00 0.00 19.45 18.75 3h0m n ALA 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h0m n ARG 15 N 0.94 -3.23 -4.08 0.00 5.12 0.11 -5.01 116.66 110.51 3h0m n ARG 15 Ca 0.14 0.71 -0.33 0.00 -1.93 0.00 0.00 57.85 56.44 3h0m n ARG 15 Cb 0.54 -5.29 -0.16 0.00 -1.16 0.00 0.00 32.46 26.40 3h0m n ARG 15 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3h0m s LEU 16 N -6.08 2.44 -0.77 0.55 1.43 0.12 -5.02 118.68 111.36 3h0m s LEU 16 Ca 0.29 -0.74 -0.20 0.00 -1.03 0.00 0.00 54.13 52.45 3h0m s LEU 16 Cb -0.06 -1.52 0.10 0.00 0.03 0.00 0.00 46.19 44.73 3h0m s LEU 16 CO 0.78 -0.04 1.00 -0.70 0.23 0.00 0.00 176.35 177.63 3h0m s GLU 17 N 1.28 3.32 0.26 1.70 2.12 -1.26 -4.31 118.70 121.81 3h0m s GLU 17 Ca 0.03 -1.31 -0.30 0.00 0.36 0.00 0.00 54.97 53.75 3h0m s GLU 17 Cb -0.14 -4.54 -0.09 0.00 0.26 0.00 0.00 34.13 29.62 3h0m s GLU 17 CO -0.11 -1.76 1.12 -0.51 -0.54 0.00 0.00 175.26 173.47 3h0m s LEU 18 N 3.27 4.53 0.47 2.70 1.43 -1.26 -5.02 118.68 124.79 3h0m s LEU 18 Ca 0.25 2.28 -0.19 0.00 -1.03 0.00 0.00 54.13 55.44 3h0m s LEU 18 Cb -0.12 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.38 3h0m s LEU 18 CO 0.01 -0.20 0.96 -0.54 0.23 0.00 0.00 176.35 176.81 3h0m s LYS 19 N -1.22 4.09 0.40 1.70 1.02 -1.26 -4.90 119.74 119.57 3h0m s LYS 19 Ca 0.46 1.03 0.16 0.00 0.02 0.00 0.00 55.97 57.64 3h0m s LYS 19 Cb -0.32 -2.17 1.04 0.00 -0.52 0.00 0.00 37.83 35.86 3h0m s LYS 19 CO 0.41 -0.13 1.85 1.49 -0.92 0.00 0.00 175.35 178.04 3h0m h GLU 20 N 1.46 0.44 -0.17 1.68 4.57 -2.01 -0.27 114.58 120.29 3h0m h GLU 20 Ca -0.48 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3h0m h GLU 20 Cb 1.18 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 3h0m h GLU 20 CO 0.61 0.29 0.10 0.93 -1.18 0.00 0.00 179.01 179.77 3h0m h GLU 21 N 0.45 0.21 -0.85 1.92 3.07 -2.01 -3.07 114.58 114.29 3h0m h GLU 21 Ca 0.48 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.31 3h0m h GLU 21 Cb 1.12 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.95 3h0m h GLU 21 CO -0.20 0.14 0.47 0.93 -1.40 0.00 0.00 179.01 178.95 3h0m h GLU 22 N 0.22 1.19 0.25 2.33 5.08 -1.44 -2.66 114.58 119.55 3h0m h GLU 22 Ca 0.06 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3h0m h GLU 22 Cb -0.02 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 28.96 3h0m h GLU 22 CO -0.02 0.87 -0.38 0.82 -1.00 0.00 0.00 179.01 179.30 3h0m h ILE 23 N 1.19 0.22 -0.86 3.13 2.04 -1.36 0.33 117.51 122.20 3h0m h ILE 23 Ca 0.30 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.16 3h0m h ILE 23 Cb 0.02 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.28 3h0m h ILE 23 CO -0.05 0.00 0.54 -0.33 0.00 0.00 0.00 178.15 178.31 3h0m h GLU 24 N -0.70 1.16 0.02 2.37 5.08 -1.46 -1.64 114.58 119.41 3h0m h GLU 24 Ca -0.00 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3h0m h GLU 24 Cb 0.67 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3h0m h GLU 24 CO -0.14 0.80 -0.01 0.28 -1.00 0.00 0.00 179.01 178.94 3h0m h VAL 25 N 1.18 1.27 0.00 3.13 2.07 -1.28 -3.00 116.25 119.62 3h0m h VAL 25 Ca 0.31 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3h0m h VAL 25 Cb -0.08 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3h0m h VAL 25 CO -0.06 0.23 0.00 -0.26 0.02 0.00 0.00 177.57 177.50 3h0m h PHE 26 N -0.41 0.00 -0.17 1.57 0.04 -0.23 -1.39 116.94 116.35 3h0m h PHE 26 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3h0m h PHE 26 Cb 0.39 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 3h0m h PHE 26 CO 0.06 0.00 0.08 1.96 -0.60 0.00 0.00 178.31 179.81 3h0m h GLN 27 N 0.00 0.25 -0.01 1.51 4.20 -1.15 -1.90 115.11 118.01 3h0m h GLN 27 Ca 0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3h0m h GLN 27 Cb 0.40 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3h0m h GLN 27 CO 0.00 0.28 -0.04 -0.22 -0.67 0.00 0.00 178.83 178.18 3h0m h LYS 28 N 0.15 0.04 -0.35 1.46 3.64 -1.43 -2.80 116.57 117.28 3h0m h LYS 28 Ca 0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3h0m h LYS 28 Cb 0.11 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3h0m h LYS 28 CO -0.01 0.70 0.23 1.96 -2.27 0.00 0.00 179.45 180.06 3h0m h GLN 29 N -0.62 0.46 -0.41 1.90 4.20 -1.34 -0.53 115.11 118.77 3h0m h GLN 29 Ca -0.00 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.54 3h0m h GLN 29 Cb 0.71 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 3h0m h GLN 29 CO 0.01 0.30 -0.31 -0.07 -0.67 0.00 0.00 178.83 178.09 3h0m h LEU 30 N 0.47 0.98 -0.44 1.46 3.38 -1.48 -0.03 115.31 119.65 3h0m h LEU 30 Ca 0.13 -0.44 0.09 0.00 0.09 0.00 0.00 57.88 57.75 3h0m h LEU 30 Cb -0.05 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 40.34 3h0m h LEU 30 CO -0.03 1.21 -0.15 0.28 0.09 0.00 0.00 178.44 179.84 3h0m h SER 31 N 0.76 -0.53 0.04 -0.43 0.02 -1.28 0.26 113.55 112.38 3h0m h SER 31 Ca 0.08 0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3h0m h SER 31 Cb 0.89 0.32 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3h0m h SER 31 CO 0.08 -0.19 -0.02 0.44 -1.14 0.00 0.00 176.83 176.00 3h0m h ASP 32 N -0.05 -0.05 -0.52 3.07 3.32 -0.76 -1.51 116.42 119.92 3h0m h ASP 32 Ca 0.21 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 3h0m h ASP 32 Cb 0.38 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 3h0m h ASP 32 CO -0.48 -0.04 0.22 0.40 -1.72 0.00 0.00 179.24 177.63 3h0m h ILE 33 N -0.06 1.20 -0.53 0.35 2.04 -0.69 0.43 117.51 120.26 3h0m h ILE 33 Ca -0.01 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 3h0m h ILE 33 Cb 0.05 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3h0m h ILE 33 CO 0.01 0.25 0.26 -0.07 0.00 0.00 0.00 178.15 178.61 3h0m h LEU 34 N 0.81 0.68 -0.70 1.44 4.07 -0.28 -1.03 115.31 120.30 3h0m h LEU 34 Ca 0.19 -0.12 -0.04 0.00 0.08 0.00 0.00 57.88 57.99 3h0m h LEU 34 Cb 0.16 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.70 3h0m h LEU 34 CO -0.02 0.61 0.27 0.44 -1.08 0.00 0.00 178.44 178.66 3h0m h ASP 35 N 0.71 0.97 -0.97 -0.43 3.32 -0.49 -2.92 116.42 116.61 3h0m h ASP 35 Ca 0.18 -0.18 0.05 0.00 0.02 0.00 0.00 57.03 57.10 3h0m h ASP 35 Cb 0.10 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.34 3h0m h ASP 35 CO -0.02 0.88 0.63 0.15 -1.72 0.00 0.00 179.24 179.15 3h0m h PHE 36 N 1.00 1.17 -0.06 4.55 3.57 0.32 -3.09 116.94 124.40 3h0m h PHE 36 Ca 0.23 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.76 3h0m h PHE 36 Cb 0.22 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.57 3h0m h PHE 36 CO 0.02 0.65 0.00 0.44 -2.23 0.00 0.00 178.31 177.18 3h0m n ILE 37 N -4.49 0.04 -0.99 1.41 -5.35 -0.43 -4.64 119.36 104.90 3h0m n ILE 37 Ca 0.13 -0.50 -0.15 0.00 -0.27 0.00 0.00 62.75 61.97 3h0m n ILE 37 Cb 0.12 1.38 -0.15 0.00 -1.74 0.00 0.00 39.64 39.26 3h0m n ILE 37 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3h0m n ASP 38 N 1.27 5.43 -0.13 7.28 2.03 -1.11 -4.30 116.55 127.03 3h0m n ASP 38 Ca 0.15 -2.45 0.07 0.00 0.52 0.00 0.00 54.79 53.07 3h0m n ASP 38 Cb 0.58 -1.38 -0.04 0.00 -0.72 0.00 0.00 41.12 39.56 3h0m n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h0m n GLN 39 N 2.66 2.27 0.12 -0.67 1.13 -1.26 -4.73 117.38 116.89 3h0m n GLN 39 Ca 0.45 -0.31 0.10 0.00 -1.94 0.00 0.00 57.00 55.30 3h0m n GLN 39 Cb 0.80 -1.16 0.02 0.00 0.11 0.00 0.00 30.24 30.00 3h0m n GLN 39 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3h0m h LEU 40 N 0.66 0.00 -0.90 1.08 3.38 -1.99 -3.33 115.31 114.21 3h0m h LEU 40 Ca 0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 3h0m h LEU 40 Cb 0.38 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.02 3h0m h LEU 40 CO 0.00 0.07 0.46 0.11 0.09 0.00 0.00 178.44 179.17 3h0m h LYS 41 N 0.00 0.54 -0.92 1.13 1.57 -1.95 -2.12 116.57 114.82 3h0m h LYS 41 Ca -0.02 -0.03 0.27 0.00 -1.87 0.00 0.00 60.65 59.00 3h0m h LYS 41 Cb 1.07 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.22 3h0m h LYS 41 CO 0.01 0.36 0.77 0.93 -0.57 0.00 0.00 179.45 180.95 3h0m h GLU 42 N 0.56 0.00 -6.21 3.15 5.08 -1.95 -3.42 114.58 111.79 3h0m h GLU 42 Ca 0.53 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 58.31 3h0m h GLU 42 Cb 0.88 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 3h0m h GLU 42 CO -0.44 0.00 -0.22 -0.51 -1.00 0.00 0.00 179.01 176.85 3h0m s LEU 43 N -7.82 4.29 -0.25 1.33 1.43 -0.80 -5.06 118.68 111.80 3h0m s LEU 43 Ca -0.04 0.80 -0.18 0.00 -1.03 0.00 0.00 54.13 53.68 3h0m s LEU 43 Cb 0.19 -3.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 3h0m s LEU 43 CO 0.68 0.09 0.50 -0.62 0.23 0.00 0.00 176.35 177.23 3h0m s ASP 44 N -2.04 6.44 0.00 2.29 -1.08 -1.26 -4.92 116.67 116.10 3h0m s ASP 44 Ca 0.38 0.53 0.01 0.00 -0.52 0.00 0.00 52.55 52.95 3h0m s ASP 44 Cb -0.13 -2.28 0.01 0.00 -1.46 0.00 0.00 42.92 39.07 3h0m s ASP 44 CO 0.20 -0.26 0.78 1.07 0.52 0.00 0.00 175.17 177.48 3h0m n THR 45 N 5.04 0.52 0.23 1.71 5.66 -1.26 -4.77 114.28 121.40 3h0m n THR 45 Ca -0.05 -0.76 0.09 0.00 -3.05 0.00 0.00 64.05 60.28 3h0m n THR 45 Cb 0.50 0.75 0.55 0.00 -1.55 0.00 0.00 70.33 70.58 3h0m n THR 45 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 3h0m h GLU 46 N 0.12 0.00 -0.29 1.09 4.39 -2.04 -1.99 114.58 115.86 3h0m h GLU 46 Ca 0.00 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.50 3h0m h GLU 46 Cb 0.28 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.78 3h0m h GLU 46 CO 0.00 0.22 -0.52 0.09 -1.16 0.00 0.00 179.01 177.64 3h0m n ASN 47 N -3.77 2.89 -4.30 1.42 3.02 -1.26 -4.98 115.26 108.28 3h0m n ASN 47 Ca -0.02 -3.85 -0.34 0.00 -0.03 0.00 0.00 54.58 50.35 3h0m n ASN 47 Cb 0.32 -0.49 -0.14 0.00 -0.61 0.00 0.00 39.78 38.86 3h0m n ASN 47 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3h0m s VAL 48 N -3.69 3.01 0.11 2.41 1.01 -0.75 -5.11 120.40 117.39 3h0m s VAL 48 Ca 0.43 -0.64 -0.31 0.00 0.00 0.00 0.00 61.98 61.47 3h0m s VAL 48 Cb 0.39 -2.31 -0.07 0.00 0.00 0.00 0.00 36.38 34.39 3h0m s VAL 48 CO -0.03 0.48 1.26 -1.61 0.00 0.00 0.00 175.10 175.20 3h0m s GLU 49 N 1.00 4.41 0.50 2.72 0.41 -1.26 -5.02 118.70 121.46 3h0m s GLU 49 Ca -0.01 1.89 -0.20 0.00 -0.41 0.00 0.00 54.97 56.24 3h0m s GLU 49 Cb -0.15 -3.29 -0.10 0.00 -1.78 0.00 0.00 34.13 28.81 3h0m s GLU 49 CO -0.01 -0.26 0.61 -0.35 -0.49 0.00 0.00 175.26 174.75 3h0m n PRO 50 N 3.52 0.65 -1.95 0.39 -0.04 -1.26 -4.87 135.00 131.44 3h0m n PRO 50 Ca 0.08 0.24 -0.42 0.00 -0.04 0.00 0.00 63.50 63.37 3h0m n PRO 50 Cb 0.45 -1.69 -0.03 0.00 -0.04 0.00 0.00 33.50 32.19 3h0m n PRO 50 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3h0m s TYR 51 N -1.57 2.16 0.04 0.54 5.04 -1.26 -5.03 117.35 117.26 3h0m s TYR 51 Ca 0.66 0.22 0.05 0.00 -2.44 0.00 0.00 57.07 55.57 3h0m s TYR 51 Cb -0.51 -3.95 -0.02 0.00 0.35 0.00 0.00 41.96 37.82 3h0m s TYR 51 CO 0.56 -3.94 -0.16 0.42 -1.34 0.00 0.00 175.55 171.09 3h0m s ILE 52 N 3.35 1.25 0.51 3.14 1.01 -1.26 -5.12 121.20 124.08 3h0m s ILE 52 Ca 0.74 -1.03 -0.22 0.00 0.00 0.00 0.00 60.65 60.15 3h0m s ILE 52 Cb -0.37 -1.11 -0.07 0.00 0.01 0.00 0.00 42.46 40.92 3h0m s ILE 52 CO 0.32 0.07 1.21 0.00 0.00 0.00 0.00 174.94 176.54 3h0m n GLN 53 N 1.93 1.53 -2.65 2.79 10.64 -1.26 -4.94 117.38 125.42 3h0m n GLN 53 Ca -0.18 0.56 -0.39 0.00 -1.83 0.00 0.00 57.00 55.17 3h0m n GLN 53 Cb 0.54 -2.37 -0.05 0.00 -0.86 0.00 0.00 30.24 27.50 3h0m n GLN 53 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 3h0m s GLU 54 N -2.59 4.59 -0.25 2.61 2.56 -1.26 -5.05 118.70 119.31 3h0m s GLU 54 Ca 0.69 1.53 -0.26 0.00 0.00 0.00 0.00 54.97 56.94 3h0m s GLU 54 Cb -0.45 -2.98 0.08 0.00 2.00 0.00 0.00 34.13 32.77 3h0m s GLU 54 CO 0.52 0.25 0.78 -0.59 -0.56 0.00 0.00 175.26 175.66 3h0m s PHE 55 N -1.39 -0.71 -0.09 5.30 -0.71 -1.26 -5.08 117.98 114.04 3h0m s PHE 55 Ca 0.48 1.67 -0.21 0.00 -1.04 0.00 0.00 56.93 57.83 3h0m s PHE 55 Cb -0.25 0.31 -0.28 0.00 -1.21 0.00 0.00 43.02 41.59 3h0m s PHE 55 CO 0.31 -0.37 0.70 0.93 -1.34 0.00 0.00 175.22 175.45 3h0m h GLU 56 N 4.60 0.22 -4.13 1.99 5.08 -2.06 -3.47 114.58 116.81 3h0m h GLU 56 Ca -0.28 -0.37 -0.28 0.00 -1.00 0.00 0.00 59.36 57.43 3h0m h GLU 56 Cb 1.16 0.14 -0.27 0.00 0.50 0.00 0.00 28.75 30.28 3h0m h GLU 56 CO 0.10 1.18 -0.74 -1.21 -1.00 0.00 0.00 179.01 177.34 3h0m s GLU 57 N -2.41 0.29 0.09 2.33 2.02 -1.26 -5.12 118.70 114.64 3h0m s GLU 57 Ca -0.18 -0.21 -0.33 0.00 0.02 0.00 0.00 54.97 54.28 3h0m s GLU 57 Cb 0.02 -0.23 -0.12 0.00 0.10 0.00 0.00 34.13 33.89 3h0m s GLU 57 CO 0.77 0.06 1.74 2.41 0.02 0.00 0.00 175.26 180.26 3h0m n THR 58 N 2.77 0.26 -2.20 3.63 -1.04 -1.26 -4.94 114.28 111.49 3h0m n THR 58 Ca -0.14 -0.05 -0.43 0.00 -2.04 0.00 0.00 64.05 61.40 3h0m n THR 58 Cb 0.58 -1.83 -0.02 0.00 -1.82 0.00 0.00 70.33 67.23 3h0m n THR 58 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3h0m s PRO 59 N 2.27 4.17 0.27 -2.82 0.02 -1.26 -5.02 135.00 132.62 3h0m s PRO 59 Ca 0.83 1.90 0.03 0.00 0.02 0.00 0.00 61.00 63.78 3h0m s PRO 59 Cb -0.61 -3.89 -0.06 0.00 0.02 0.00 0.00 34.50 29.96 3h0m s PRO 59 CO 0.41 -0.83 0.05 -1.64 -0.33 0.00 0.00 177.00 174.66 3h0m s MET 60 N 3.86 1.47 -0.02 5.54 -1.94 -1.26 -5.16 119.30 121.78 3h0m s MET 60 Ca 0.65 -1.79 0.03 0.00 -1.71 0.00 0.00 55.69 52.87 3h0m s MET 60 Cb -0.27 -0.58 -0.00 0.00 2.01 0.00 0.00 34.83 35.99 3h0m s MET 60 CO 0.23 -0.19 -0.11 0.50 -0.01 0.00 0.00 175.02 175.43 3h0m s ARG 61 N -3.93 1.11 0.77 2.03 3.52 -1.26 -5.14 118.95 116.04 3h0m s ARG 61 Ca 0.34 -0.39 -0.15 0.00 -0.13 0.00 0.00 55.73 55.41 3h0m s ARG 61 Cb 0.07 -1.02 0.01 0.00 -1.56 0.00 0.00 34.95 32.45 3h0m s ARG 61 CO 0.13 0.17 0.80 0.39 -0.81 0.00 0.00 175.30 175.98 3h0m n GLU 62 N 3.15 0.27 -2.07 5.12 -0.58 -1.26 -4.89 120.64 120.37 3h0m n GLU 62 Ca -0.17 0.15 -0.41 0.00 -0.42 0.00 0.00 57.16 56.30 3h0m n GLU 62 Cb 0.54 -2.09 -0.00 0.00 -0.57 0.00 0.00 31.44 29.32 3h0m n GLU 62 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3h0m n ASP 63 N -1.52 6.01 -4.18 1.62 2.03 -1.26 -4.92 116.55 114.34 3h0m n ASP 63 Ca 0.11 -3.04 -0.29 0.00 0.52 0.00 0.00 54.79 52.10 3h0m n ASP 63 Cb 0.50 -1.48 -0.16 0.00 -0.72 0.00 0.00 41.12 39.26 3h0m n ASP 63 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3h0m s GLU 64 N 0.51 2.31 0.54 -0.67 2.02 -1.26 -5.13 118.70 117.01 3h0m s GLU 64 Ca 0.47 -0.74 -0.21 0.00 0.02 0.00 0.00 54.97 54.50 3h0m s GLU 64 Cb 0.13 -1.90 -0.05 0.00 0.10 0.00 0.00 34.13 32.41 3h0m s GLU 64 CO -0.04 0.25 1.26 -2.14 0.02 0.00 0.00 175.26 174.61 3h0m s PRO 65 N 0.11 3.26 -0.03 0.39 0.02 -1.26 -5.05 135.00 132.44 3h0m s PRO 65 Ca -0.08 1.99 0.04 0.00 0.02 0.00 0.00 61.00 62.97 3h0m s PRO 65 Cb -0.14 -2.20 -0.00 0.00 0.02 0.00 0.00 34.50 32.17 3h0m s PRO 65 CO 0.04 -1.02 -0.15 -1.01 -0.33 0.00 0.00 177.00 174.53 3h0m s HIS 66 N -1.45 1.44 -0.40 6.54 3.76 -1.26 -5.09 115.29 118.83 3h0m s HIS 66 Ca 0.71 -0.36 -0.42 0.00 -0.15 0.00 0.00 55.06 54.83 3h0m s HIS 66 Cb -0.34 -0.97 -0.17 0.00 1.11 0.00 0.00 32.58 32.21 3h0m s HIS 66 CO 0.40 -0.11 1.83 -2.30 -0.85 0.00 0.00 174.74 173.71 3h0m n PRO 67 N 3.05 0.56 -0.79 8.40 -0.02 -1.26 -4.92 135.00 140.03 3h0m n PRO 67 Ca -0.17 0.19 -0.30 0.00 -2.02 0.00 0.00 63.50 61.20 3h0m n PRO 67 Cb 0.54 -1.84 0.18 0.00 -0.02 0.00 0.00 33.50 32.35 3h0m n PRO 67 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3h0m s SER 68 N 4.31 2.55 0.16 2.55 0.01 -1.26 -4.97 113.70 117.05 3h0m s SER 68 Ca 1.06 1.83 -0.30 0.00 1.31 0.00 0.00 55.95 59.85 3h0m s SER 68 Cb -1.26 -2.41 -0.08 0.00 0.21 0.00 0.00 66.02 62.47 3h0m s SER 68 CO 0.69 -3.27 1.29 -0.22 0.41 0.00 0.00 173.24 172.13 3h0m s LEU 69 N -6.67 4.41 0.28 2.44 2.96 -1.26 -4.96 118.68 115.88 3h0m s LEU 69 Ca 0.66 2.30 -0.30 0.00 -0.22 0.00 0.00 54.13 56.57 3h0m s LEU 69 Cb -0.22 -3.60 -0.13 0.00 0.50 0.00 0.00 46.19 42.74 3h0m s LEU 69 CO 0.60 -0.51 1.40 -0.67 -1.32 0.00 0.00 176.35 175.84 3h0m n ASP 70 N 3.06 2.94 0.24 3.68 2.03 -1.26 -4.77 116.55 122.47 3h0m n ASP 70 Ca 0.07 1.17 0.10 0.00 0.52 0.00 0.00 54.79 56.65 3h0m n ASP 70 Cb 0.44 -1.48 0.61 0.00 -0.72 0.00 0.00 41.12 39.97 3h0m n ASP 70 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3h0m h ARG 71 N 3.71 0.00 -0.25 -0.67 2.43 -1.98 -1.68 114.38 115.94 3h0m h ARG 71 Ca -0.46 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 3h0m h ARG 71 Cb 1.27 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 3h0m h ARG 71 CO 0.72 0.18 0.10 1.49 -1.51 0.00 0.00 179.97 180.94 3h0m h GLU 72 N 0.00 0.37 0.00 0.20 4.81 -1.98 -1.42 114.58 116.56 3h0m h GLU 72 Ca -0.00 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.05 3h0m h GLU 72 Cb 0.42 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 3h0m h GLU 72 CO 0.02 0.42 -0.52 0.87 -0.73 0.00 0.00 179.01 179.07 3h0m h LYS 73 N 0.25 0.00 0.00 1.92 1.57 -1.76 0.52 116.57 119.07 3h0m h LYS 73 Ca 0.08 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 3h0m h LYS 73 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3h0m h LYS 73 CO -0.01 0.52 -0.41 0.00 -0.57 0.00 0.00 179.45 178.98 3h0m h ALA 74 N 1.48 1.12 0.00 3.86 0.00 -1.19 -3.31 119.26 121.22 3h0m h ALA 74 Ca -0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 3h0m h ALA 74 Cb 0.92 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3h0m h ALA 74 CO 0.07 0.51 -1.77 1.28 0.00 0.00 0.00 179.25 179.34 3h0m n LEU 75 N -3.75 0.00 -0.34 0.00 7.99 -0.55 -4.68 117.00 115.67 3h0m n LEU 75 Ca -0.01 0.00 0.25 0.00 -0.01 0.00 0.00 56.01 56.24 3h0m n LEU 75 Cb 0.48 0.04 0.53 0.00 -0.11 0.00 0.00 43.42 44.36 3h0m n LEU 75 CO 0.38 0.04 1.22 0.00 -1.51 0.00 0.00 177.39 177.52 3h0m h MET 76 N 0.00 0.34 -0.00 3.23 -0.00 -0.05 0.15 114.93 118.59 3h0m h MET 76 Ca -0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.63 3h0m h MET 76 Cb 0.87 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 32.39 3h0m h MET 76 CO 0.00 0.22 -0.12 0.09 -0.00 0.00 0.00 176.91 177.11 3h0m n ASN 77 N -4.64 0.34 -4.69 -0.10 3.02 -1.26 -4.93 115.26 103.00 3h0m n ASN 77 Ca 0.27 -0.33 -0.42 0.00 -0.03 0.00 0.00 54.58 54.07 3h0m n ASN 77 Cb 0.96 -0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.97 3h0m n ASN 77 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h0m s ALA 78 N -2.61 3.60 0.41 5.41 0.00 0.53 -4.91 121.76 124.19 3h0m s ALA 78 Ca 0.25 0.95 0.25 0.00 0.00 0.00 0.00 51.96 53.41 3h0m s ALA 78 Cb 0.20 -3.61 1.32 0.00 0.00 0.00 0.00 23.12 21.03 3h0m s ALA 78 CO 0.50 -0.92 1.64 -1.35 0.00 0.00 0.00 175.76 175.64 3h0m h PRO 79 N 7.82 0.15 -2.47 0.00 0.11 -1.91 -3.40 132.00 132.31 3h0m h PRO 79 Ca -0.39 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.64 3h0m h PRO 79 Cb 1.18 -0.03 -0.26 0.00 0.11 0.00 0.00 31.00 32.00 3h0m h PRO 79 CO 0.90 0.10 -0.26 -2.00 -0.21 0.00 0.00 178.00 176.54 3h0m s GLU 80 N -5.41 0.43 0.17 1.05 2.12 -1.26 -5.10 118.70 110.71 3h0m s GLU 80 Ca -0.08 0.97 0.09 0.00 0.36 0.00 0.00 54.97 56.30 3h0m s GLU 80 Cb 0.30 0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.80 3h0m s GLU 80 CO 0.81 -0.19 -0.18 -0.98 -0.54 0.00 0.00 175.26 174.18 3h0m s ARG 81 N 1.87 1.29 -0.22 4.30 1.70 -1.26 -1.07 118.95 125.56 3h0m s ARG 81 Ca -0.07 -1.44 -0.11 0.00 -0.47 0.00 0.00 55.73 53.64 3h0m s ARG 81 Cb -0.09 -1.32 0.08 0.00 -0.57 0.00 0.00 34.95 33.05 3h0m s ARG 81 CO -0.14 0.26 0.52 0.21 -1.08 0.00 0.00 175.30 175.07 3h0m s LYS 82 N -2.90 0.49 -0.80 3.89 2.20 -0.18 -4.89 119.74 117.54 3h0m s LYS 82 Ca 0.17 1.04 -0.04 0.00 -0.36 0.00 0.00 55.97 56.78 3h0m s LYS 82 Cb -0.05 0.20 0.03 0.00 -1.51 0.00 0.00 37.83 36.50 3h0m s LYS 82 CO 0.07 -0.18 0.16 -0.25 -0.36 0.00 0.00 175.35 174.78 3h0m n ASP 83 N 4.64 -2.72 0.00 1.43 8.00 -1.26 -0.21 116.55 126.43 3h0m n ASP 83 Ca -0.18 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.39 3h0m n ASP 83 Cb 0.54 -2.35 0.00 0.00 -0.02 0.00 0.00 41.12 39.30 3h0m n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h0m n GLY 84 N -0.80 0.54 3.62 0.44 0.00 -1.26 -5.08 105.19 102.64 3h0m n GLY 84 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 3h0m n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h0m s PHE 85 N -2.03 2.92 0.31 1.61 0.08 0.70 -5.10 117.98 116.47 3h0m s PHE 85 Ca 0.00 -0.03 -0.29 0.00 0.12 0.00 0.00 56.93 56.74 3h0m s PHE 85 Cb 0.00 -1.60 -0.10 0.00 -0.57 0.00 0.00 43.02 40.75 3h0m s PHE 85 CO 0.00 0.40 1.21 -0.06 -0.10 0.00 0.00 175.22 176.66 3h0m s PHE 86 N -1.05 3.29 -0.08 0.36 0.08 -1.26 -1.01 117.98 118.31 3h0m s PHE 86 Ca 0.18 1.55 0.04 0.00 0.12 0.00 0.00 56.93 58.83 3h0m s PHE 86 Cb -0.11 -3.49 -0.01 0.00 -0.57 0.00 0.00 43.02 38.84 3h0m s PHE 86 CO 0.09 -1.24 -0.22 0.08 -0.10 0.00 0.00 175.22 173.84 3h0m s VAL 87 N -1.17 2.31 0.08 -0.44 1.01 -0.23 -4.85 120.40 117.12 3h0m s VAL 87 Ca 0.47 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 3h0m s VAL 87 Cb -0.36 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 3h0m s VAL 87 CO 0.47 0.56 0.09 0.68 0.00 0.00 0.00 175.10 176.90 3h0m s VAL 88 N -0.04 0.16 0.55 2.92 -7.23 -1.26 -4.50 120.40 111.00 3h0m s VAL 88 Ca -0.06 -1.55 -0.22 0.00 -1.81 0.00 0.00 61.98 58.34 3h0m s VAL 88 Cb -0.15 -1.54 -0.05 0.00 0.56 0.00 0.00 36.38 35.21 3h0m s VAL 88 CO 0.05 -0.75 1.35 -0.81 -0.31 0.00 0.00 175.10 174.63 3h0m n PRO 89 N -0.01 1.66 -1.44 4.82 -0.04 -1.26 -4.85 135.00 133.88 3h0m n PRO 89 Ca -0.13 0.61 -0.43 0.00 -0.04 0.00 0.00 63.50 63.51 3h0m n PRO 89 Cb 0.62 -2.57 -0.01 0.00 -0.04 0.00 0.00 33.50 31.50 3h0m n PRO 89 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3h0m n ARG 90 N -1.06 0.48 -2.48 0.54 0.63 -1.26 -5.03 116.66 108.48 3h0m n ARG 90 Ca 0.11 0.17 -0.12 0.00 -0.92 0.00 0.00 57.85 57.09 3h0m n ARG 90 Cb 0.45 -1.37 0.01 0.00 0.45 0.00 0.00 32.46 32.00 3h0m n ARG 90 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 3h0m n VAL 91 N -0.55 0.00 -0.20 5.15 0.24 -1.26 -5.32 118.33 116.39 3h0m n VAL 91 Ca 0.12 -1.04 0.00 0.00 -2.04 0.00 0.00 64.34 61.38 3h0m n VAL 91 Cb 0.35 -0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 3h0m n VAL 91 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21