#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1us6 n GLU 2 N 0.00 1.00 -4.09 3.17 4.71 -1.26 -4.88 120.64 119.29 1us6 n GLU 2 Ca 0.00 0.35 -0.29 0.00 -0.01 0.00 0.00 57.16 57.21 1us6 n GLU 2 Cb 0.00 -1.65 -0.07 0.00 -1.01 0.00 0.00 31.44 28.71 1us6 n GLU 2 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1us6 s LEU 3 N 1.05 3.66 -0.15 -4.62 0.20 -1.26 -1.72 118.68 115.83 1us6 s LEU 3 Ca 0.60 -0.13 -0.11 0.00 0.69 0.00 0.00 54.13 55.19 1us6 s LEU 3 Cb -0.73 -2.33 -0.06 0.00 -0.43 0.00 0.00 46.19 42.63 1us6 s LEU 3 CO 0.59 0.14 -0.25 1.21 -0.29 0.00 0.00 176.35 177.75 1us6 n GLU 4 N 0.23 0.39 -3.72 1.98 4.07 -0.38 -4.41 120.64 118.81 1us6 n GLU 4 Ca -0.09 0.16 -0.22 0.00 -0.06 0.00 0.00 57.16 56.95 1us6 n GLU 4 Cb 0.53 -1.17 -0.18 0.00 -0.06 0.00 0.00 31.44 30.56 1us6 n GLU 4 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1us6 s ASP 5 N -6.35 1.52 0.81 4.31 3.68 -1.07 -5.00 116.67 114.58 1us6 s ASP 5 Ca -0.24 -0.09 -0.09 0.00 2.13 0.00 0.00 52.55 54.26 1us6 s ASP 5 Cb 0.07 -0.31 0.13 0.00 -1.45 0.00 0.00 42.92 41.35 1us6 s ASP 5 CO 0.32 -0.23 1.13 0.00 0.13 0.00 0.00 175.17 176.52 1us6 s ALA 6 N 2.06 2.91 -0.00 3.66 0.00 -1.26 -1.04 121.76 128.09 1us6 s ALA 6 Ca 0.04 -1.19 -0.00 0.00 0.00 0.00 0.00 51.96 50.82 1us6 s ALA 6 Cb -0.13 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.44 1us6 s ALA 6 CO -0.05 -1.77 0.00 0.09 0.00 0.00 0.00 175.76 174.03 1us6 n ASN 7 N -3.24 -6.82 -4.82 0.00 3.02 -1.26 -4.87 115.26 97.28 1us6 n ASN 7 Ca 0.12 0.53 -0.35 0.00 -0.03 0.00 0.00 54.58 54.86 1us6 n ASN 7 Cb 0.60 -1.57 -0.07 0.00 -0.61 0.00 0.00 39.78 38.14 1us6 n ASN 7 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1us6 s VAL 8 N -0.76 5.02 -1.07 2.41 1.01 -1.26 -5.00 120.40 120.76 1us6 s VAL 8 Ca -0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 61.98 61.64 1us6 s VAL 8 Cb 0.00 -3.24 -0.07 0.00 0.00 0.00 0.00 36.38 33.07 1us6 s VAL 8 CO 0.00 0.47 2.00 0.35 0.00 0.00 0.00 175.10 177.93 1us6 n THR 9 N 1.55 2.49 -1.63 3.92 -2.24 -1.26 -4.90 114.28 112.22 1us6 n THR 9 Ca -0.16 -2.27 -0.44 0.00 -2.27 0.00 0.00 64.05 58.92 1us6 n THR 9 Cb 0.54 -2.39 -0.01 0.00 -2.10 0.00 0.00 70.33 66.36 1us6 n THR 9 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1us6 n LYS 10 N 7.00 1.65 -3.26 -0.78 5.02 -1.26 -5.02 118.16 121.51 1us6 n LYS 10 Ca 0.50 0.58 -0.05 0.00 -2.02 0.00 0.00 58.31 57.31 1us6 n LYS 10 Cb 0.41 -2.03 -0.04 0.00 -0.02 0.00 0.00 35.03 33.35 1us6 n LYS 10 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1us6 s LYS 11 N -1.69 0.45 -0.31 1.97 2.47 -1.26 -5.06 119.74 116.32 1us6 s LYS 11 Ca 0.57 0.32 -0.29 0.00 -1.56 0.00 0.00 55.97 55.01 1us6 s LYS 11 Cb -0.65 -0.14 -0.02 0.00 -1.46 0.00 0.00 37.83 35.57 1us6 s LYS 11 CO 0.61 -0.98 1.67 0.08 0.16 0.00 0.00 175.35 176.89 1us6 s VAL 12 N 2.63 3.62 -0.12 4.02 1.01 -1.26 -4.10 120.40 126.21 1us6 s VAL 12 Ca 0.11 0.65 0.20 0.00 0.00 0.00 0.00 61.98 62.93 1us6 s VAL 12 Cb -0.12 -3.77 -0.26 0.00 0.00 0.00 0.00 36.38 32.23 1us6 s VAL 12 CO -0.27 -0.44 0.39 -0.62 0.00 0.00 0.00 175.10 174.16 1us6 n GLU 13 N 8.14 0.66 -3.89 2.72 1.02 -1.26 -4.75 120.64 123.28 1us6 n GLU 13 Ca 0.20 -0.06 -0.31 0.00 -0.02 0.00 0.00 57.16 56.98 1us6 n GLU 13 Cb 0.46 -1.57 -0.13 0.00 -0.02 0.00 0.00 31.44 30.18 1us6 n GLU 13 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1us6 s LEU 14 N -5.10 4.55 0.28 -4.62 1.43 -1.26 -5.00 118.68 108.96 1us6 s LEU 14 Ca -0.08 -3.06 0.01 0.00 -1.03 0.00 0.00 54.13 49.98 1us6 s LEU 14 Cb 0.10 -1.69 0.67 0.00 0.03 0.00 0.00 46.19 45.31 1us6 s LEU 14 CO 0.86 -0.25 1.65 -0.09 0.23 0.00 0.00 176.35 178.76 1us6 h ARG 15 N 6.51 0.21 0.00 1.70 2.43 -2.00 -1.67 114.38 121.56 1us6 h ARG 15 Ca -0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1us6 h ARG 15 Cb 0.89 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1us6 h ARG 15 CO 0.70 0.14 0.00 -1.35 -1.51 0.00 0.00 179.97 177.95 1us6 h PRO 16 N 0.22 0.00 0.00 0.20 0.11 -2.01 -2.23 132.00 128.28 1us6 h PRO 16 Ca 0.53 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.63 1us6 h PRO 16 Cb 1.05 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1us6 h PRO 16 CO -0.64 0.00 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.02 1us6 h LEU 17 N 0.00 0.00 0.34 2.35 4.07 -1.73 -2.23 115.31 118.11 1us6 h LEU 17 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 1us6 h LEU 17 Cb 0.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1us6 h LEU 17 CO 0.00 0.06 -0.17 0.40 -1.08 0.00 0.00 178.44 177.66 1us6 h ILE 18 N 0.00 0.67 -0.81 1.22 2.04 -1.59 -2.04 117.51 116.99 1us6 h ILE 18 Ca -0.00 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1us6 h ILE 18 Cb 0.64 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 1us6 h ILE 18 CO 0.01 0.08 0.46 1.23 0.00 0.00 0.00 178.15 179.92 1us6 h GLY 19 N -0.69 1.20 1.35 5.37 0.00 -1.70 -1.11 103.07 107.48 1us6 h GLY 19 Ca -0.05 -0.53 0.03 0.00 0.00 0.00 0.00 47.33 46.78 1us6 h GLY 19 CO 0.08 0.51 0.38 1.41 0.00 0.00 0.00 176.54 178.91 1us6 h LEU 20 N 1.12 0.58 -1.23 3.11 3.38 -1.34 -2.71 115.31 118.23 1us6 h LEU 20 Ca 0.29 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1us6 h LEU 20 Cb 0.01 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1us6 h LEU 20 CO -0.05 0.41 -0.24 0.35 0.09 0.00 0.00 178.44 179.00 1us6 n THR 21 N -4.46 0.00 -1.90 0.22 -2.24 -0.77 -4.88 114.28 100.24 1us6 n THR 21 Ca 0.06 -0.38 -0.42 0.00 -2.27 0.00 0.00 64.05 61.04 1us6 n THR 21 Cb 0.12 1.28 -0.03 0.00 -2.10 0.00 0.00 70.33 69.60 1us6 n THR 21 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1us6 s ARG 22 N -1.90 4.20 0.00 -0.78 6.06 -0.44 -1.98 118.95 124.11 1us6 s ARG 22 Ca 0.18 2.39 0.00 0.00 -2.50 0.00 0.00 55.73 55.79 1us6 s ARG 22 Cb 0.15 -3.32 0.00 0.00 0.06 0.00 0.00 34.95 31.84 1us6 s ARG 22 CO 0.38 -0.67 0.00 0.41 -2.50 0.00 0.00 175.30 172.91 1us6 n GLY 23 N 3.88 1.32 3.76 8.12 0.00 -1.26 -5.01 105.19 116.00 1us6 n GLY 23 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1us6 n GLY 23 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1us6 s LEU 24 N 0.00 3.84 0.36 0.99 1.43 -0.84 -4.94 118.68 119.52 1us6 s LEU 24 Ca 0.00 2.48 -0.28 0.00 -1.03 0.00 0.00 54.13 55.30 1us6 s LEU 24 Cb 0.00 -4.38 -0.12 0.00 0.03 0.00 0.00 46.19 41.72 1us6 s LEU 24 CO 0.00 -1.36 1.37 -2.65 0.23 0.00 0.00 176.35 173.94 1us6 n PRO 25 N -1.04 2.34 -0.23 1.29 -0.02 -1.26 -4.82 135.00 131.25 1us6 n PRO 25 Ca 0.10 0.82 0.04 0.00 -2.02 0.00 0.00 63.50 62.44 1us6 n PRO 25 Cb 0.48 -2.46 0.16 0.00 -0.02 0.00 0.00 33.50 31.66 1us6 n PRO 25 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1us6 h PRO 26 N 2.69 0.31 -0.16 0.52 0.11 -1.99 0.09 132.00 133.57 1us6 h PRO 26 Ca -0.48 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.66 1us6 h PRO 26 Cb 1.27 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1us6 h PRO 26 CO 0.63 0.20 0.12 1.15 -0.21 0.00 0.00 178.00 179.89 1us6 h THR 27 N 0.32 0.91 0.04 -1.15 2.02 -1.99 -1.03 112.91 112.02 1us6 h THR 27 Ca 0.38 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 67.34 1us6 h THR 27 Cb 0.61 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1us6 h THR 27 CO -0.45 0.00 -1.01 0.44 0.37 0.00 0.00 175.52 174.88 1us6 h ASP 28 N 0.00 0.21 -0.54 4.18 3.32 -1.33 -1.29 116.42 120.97 1us6 h ASP 28 Ca 0.08 -0.20 -0.12 0.00 0.02 0.00 0.00 57.03 56.81 1us6 h ASP 28 Cb 0.32 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1us6 h ASP 28 CO -0.00 1.09 -0.13 0.25 -1.72 0.00 0.00 179.24 178.73 1us6 h LEU 29 N 0.06 1.05 -0.55 1.55 5.85 -1.10 -0.28 115.31 121.89 1us6 h LEU 29 Ca -0.06 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1us6 h LEU 29 Cb 1.70 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.42 1us6 h LEU 29 CO 0.15 1.16 0.32 -0.33 -0.34 0.00 0.00 178.44 179.40 1us6 h GLU 30 N 0.92 0.75 -0.15 1.25 5.08 -1.12 -1.09 114.58 120.22 1us6 h GLU 30 Ca 0.14 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1us6 h GLU 30 Cb 0.70 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1us6 h GLU 30 CO 0.05 0.56 0.07 1.15 -1.00 0.00 0.00 179.01 179.85 1us6 h THR 31 N 0.73 1.11 -0.91 1.13 2.02 -0.90 0.21 112.91 116.31 1us6 h THR 31 Ca 0.19 -0.32 0.06 0.00 0.77 0.00 0.00 66.41 67.11 1us6 h THR 31 Cb 0.02 1.06 -0.06 0.00 -1.74 0.00 0.00 68.15 67.43 1us6 h THR 31 CO -0.03 0.10 0.58 0.40 0.37 0.00 0.00 175.52 176.94 1us6 h ILE 32 N 0.12 1.08 -0.11 3.11 2.04 -0.76 -1.35 117.51 121.63 1us6 h ILE 32 Ca 0.05 -0.36 -0.12 0.00 1.00 0.00 0.00 64.86 65.43 1us6 h ILE 32 Cb 0.10 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 1us6 h ILE 32 CO -0.01 0.19 -0.39 0.74 0.00 0.00 0.00 178.15 178.69 1us6 h THR 33 N 1.06 1.38 -0.70 -0.27 2.02 -0.50 -0.81 112.91 115.09 1us6 h THR 33 Ca 0.39 -1.71 0.03 0.00 0.77 0.00 0.00 66.41 65.89 1us6 h THR 33 Cb 0.13 2.15 -0.05 0.00 -1.74 0.00 0.00 68.15 68.65 1us6 h THR 33 CO -0.16 0.51 0.43 0.40 0.37 0.00 0.00 175.52 177.07 1us6 h ILE 34 N 0.05 1.08 -0.65 3.11 2.04 -0.47 0.55 117.51 123.21 1us6 h ILE 34 Ca -0.02 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 1us6 h ILE 34 Cb 1.02 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1us6 h ILE 34 CO 0.08 0.15 0.30 0.44 0.00 0.00 0.00 178.15 179.13 1us6 h ASP 35 N 0.84 0.84 -0.16 1.72 3.45 -1.16 -1.40 116.42 120.54 1us6 h ASP 35 Ca 0.29 -0.09 -0.04 0.00 0.43 0.00 0.00 57.03 57.61 1us6 h ASP 35 Cb 0.05 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.59 1us6 h ASP 35 CO -0.12 0.72 -0.01 0.00 -1.57 0.00 0.00 179.24 178.26 1us6 h ALA 36 N 1.41 1.48 -0.24 3.45 0.00 0.39 -0.72 119.26 125.03 1us6 h ALA 36 Ca 0.23 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1us6 h ALA 36 Cb 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1us6 h ALA 36 CO -0.03 0.37 -0.13 0.82 0.00 0.00 0.00 179.25 180.28 1us6 h ILE 37 N 0.40 1.30 -0.68 0.00 2.04 0.10 0.49 117.51 121.17 1us6 h ILE 37 Ca 0.09 -1.22 -0.06 0.00 1.00 0.00 0.00 64.86 64.67 1us6 h ILE 37 Cb 0.28 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 1us6 h ILE 37 CO 0.01 0.38 0.18 0.03 0.00 0.00 0.00 178.15 178.75 1us6 h ARG 38 N 0.22 1.06 -0.68 2.37 3.08 -1.07 -0.17 114.38 119.18 1us6 h ARG 38 Ca 0.05 -0.23 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 1us6 h ARG 38 Cb 0.64 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1us6 h ARG 38 CO 0.04 0.92 0.14 1.15 -1.07 0.00 0.00 179.97 181.15 1us6 h THR 39 N 1.01 1.26 -0.18 2.04 2.02 -0.87 -1.98 112.91 116.21 1us6 h THR 39 Ca 0.22 -1.00 0.05 0.00 0.77 0.00 0.00 66.41 66.45 1us6 h THR 39 Cb 0.33 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 67.28 1us6 h THR 39 CO -0.00 0.38 -0.16 -0.74 0.37 0.00 0.00 175.52 175.36 1us6 h HIS 40 N 1.04 -0.41 -0.65 3.16 -0.00 0.78 0.58 115.15 119.65 1us6 h HIS 40 Ca 0.21 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.57 1us6 h HIS 40 Cb 0.40 0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 27.99 1us6 h HIS 40 CO 0.03 -0.23 0.26 0.00 -0.00 0.00 0.00 177.93 177.99 1us6 h ARG 41 N -0.18 0.94 -0.43 5.26 3.08 -0.63 -1.38 114.38 121.03 1us6 h ARG 41 Ca 0.11 -0.15 -0.15 0.00 0.07 0.00 0.00 59.98 59.87 1us6 h ARG 41 Cb 0.35 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1us6 h ARG 41 CO -0.29 0.76 -0.31 -0.09 -1.07 0.00 0.00 179.97 178.98 1us6 h ARG 42 N 0.93 0.97 -0.67 0.04 9.65 -1.03 -1.91 114.38 122.36 1us6 h ARG 42 Ca 0.22 -0.46 -0.06 0.00 -1.10 0.00 0.00 59.98 58.58 1us6 h ARG 42 Cb 0.17 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.71 1us6 h ARG 42 CO -0.02 1.13 0.19 -0.07 2.80 0.00 0.00 179.97 184.00 1us6 h LEU 43 N 0.81 0.99 -0.25 3.80 3.38 -0.30 -1.08 115.31 122.65 1us6 h LEU 43 Ca 0.09 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1us6 h LEU 43 Cb 0.89 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1us6 h LEU 43 CO 0.08 0.93 0.08 0.58 0.09 0.00 0.00 178.44 180.21 1us6 h VAL 44 N 1.01 1.19 -0.76 1.22 2.07 -1.17 -2.20 116.25 117.60 1us6 h VAL 44 Ca 0.22 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1us6 h VAL 44 Cb 0.32 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1us6 h VAL 44 CO -0.00 0.20 0.47 -0.08 0.02 0.00 0.00 177.57 178.17 1us6 h GLU 45 N 0.25 1.03 -0.05 1.57 4.81 -1.14 -0.15 114.58 120.88 1us6 h GLU 45 Ca 0.08 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1us6 h GLU 45 Cb 0.22 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1us6 h GLU 45 CO -0.00 0.71 0.02 -0.22 -0.73 0.00 0.00 179.01 178.79 1us6 h LYS 46 N 1.04 0.08 -0.43 1.92 3.64 -1.09 -1.08 116.57 120.65 1us6 h LYS 46 Ca 0.27 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.66 1us6 h LYS 46 Cb -0.06 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1us6 h LYS 46 CO -0.05 0.21 0.26 0.00 -2.27 0.00 0.00 179.45 177.60 1us6 h ALA 47 N 0.86 0.54 -0.17 5.00 0.00 -1.08 -0.58 119.26 123.82 1us6 h ALA 47 Ca 0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1us6 h ALA 47 Cb 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1us6 h ALA 47 CO -0.00 -0.06 -0.27 -0.44 0.00 0.00 0.00 179.25 178.48 1us6 h ASP 48 N 0.52 0.32 -0.13 0.00 3.32 -0.87 -1.03 116.42 118.55 1us6 h ASP 48 Ca 0.17 -0.10 -0.23 0.00 0.02 0.00 0.00 57.03 56.88 1us6 h ASP 48 Cb -0.00 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.47 1us6 h ASP 48 CO -0.07 0.59 -0.82 -0.33 -1.72 0.00 0.00 179.24 176.89 1us6 h GLU 49 N 0.29 0.79 -0.49 3.56 4.39 -0.82 -1.67 114.58 120.63 1us6 h GLU 49 Ca 0.04 -0.67 -0.04 0.00 0.34 0.00 0.00 59.36 59.03 1us6 h GLU 49 Cb 0.63 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 1us6 h GLU 49 CO 0.05 1.27 0.15 -0.07 -1.16 0.00 0.00 179.01 179.24 1us6 h LEU 50 N 0.53 0.72 -1.19 1.33 3.38 -0.85 -1.36 115.31 117.86 1us6 h LEU 50 Ca -0.06 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.76 1us6 h LEU 50 Cb 1.45 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.96 1us6 h LEU 50 CO 0.17 0.74 0.57 0.15 0.09 0.00 0.00 178.44 180.15 1us6 h PHE 51 N 0.66 1.00 0.00 1.13 3.57 -1.02 -2.44 116.94 119.84 1us6 h PHE 51 Ca 0.16 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.56 1us6 h PHE 51 Cb 0.28 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 1us6 h PHE 51 CO 0.02 0.53 -0.57 1.96 -2.23 0.00 0.00 178.31 178.02 1us6 h GLN 52 N 0.99 0.00 -0.00 1.11 1.08 -0.81 -3.10 115.11 114.38 1us6 h GLN 52 Ca 0.37 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 1us6 h GLN 52 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1us6 h GLN 52 CO -0.13 0.57 -0.12 0.00 -0.95 0.00 0.00 178.83 178.19 1us6 n ALA 53 N -2.36 2.75 -1.76 3.87 0.00 -0.56 -4.84 120.51 117.61 1us6 n ALA 53 Ca -0.01 -0.24 -0.37 0.00 0.00 0.00 0.00 53.44 52.83 1us6 n ALA 53 Cb 0.62 -1.35 0.02 0.00 0.00 0.00 0.00 19.45 18.74 1us6 n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1us6 s LEU 54 N -2.61 3.86 0.45 0.00 1.43 -1.00 -4.95 118.68 115.86 1us6 s LEU 54 Ca 0.25 2.43 -0.25 0.00 -1.03 0.00 0.00 54.13 55.53 1us6 s LEU 54 Cb 0.20 -4.38 -0.08 0.00 0.03 0.00 0.00 46.19 41.96 1us6 s LEU 54 CO 0.50 -1.29 1.39 -2.84 0.23 0.00 0.00 176.35 174.34 1us6 s PRO 55 N -2.97 3.71 0.46 1.29 0.02 -1.26 -4.82 135.00 131.43 1us6 s PRO 55 Ca 0.70 2.33 0.23 0.00 0.02 0.00 0.00 61.00 64.29 1us6 s PRO 55 Cb -0.32 -2.64 1.24 0.00 0.02 0.00 0.00 34.50 32.80 1us6 s PRO 55 CO 0.37 -0.77 1.85 0.93 -0.33 0.00 0.00 177.00 179.05 1us6 h GLU 56 N 2.34 0.24 -0.04 5.54 4.39 -1.93 0.58 114.58 125.69 1us6 h GLU 56 Ca -0.51 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.19 1us6 h GLU 56 Cb 1.26 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1us6 h GLU 56 CO 0.61 0.16 0.06 1.79 -1.16 0.00 0.00 179.01 180.48 1us6 h THR 57 N 0.25 0.38 0.18 1.13 1.35 -1.97 -2.92 112.91 111.32 1us6 h THR 57 Ca 0.49 0.00 -0.31 0.00 -0.55 0.00 0.00 66.41 66.04 1us6 h THR 57 Cb 1.47 0.94 0.03 0.00 -1.73 0.00 0.00 68.15 68.87 1us6 h THR 57 CO -0.14 0.00 -1.31 1.88 -0.25 0.00 0.00 175.52 175.70 1us6 h TYR 58 N 0.00 0.97 0.03 4.73 -1.99 -0.05 0.56 116.97 121.22 1us6 h TYR 58 Ca 0.02 -0.66 0.00 0.00 2.00 0.00 0.00 58.73 60.10 1us6 h TYR 58 Cb 0.15 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 38.81 1us6 h TYR 58 CO 0.00 1.50 -0.05 0.87 -0.00 0.00 0.00 178.16 180.48 1us6 h LYS 59 N 0.17 -0.10 0.00 4.88 1.57 -1.54 -2.91 116.57 118.63 1us6 h LYS 59 Ca -0.22 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1us6 h LYS 59 Cb 2.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.34 1us6 h LYS 59 CO 0.25 -0.07 0.00 1.79 -0.57 0.00 0.00 179.45 180.85 1us6 h THR 60 N -0.10 0.00 0.00 -0.16 1.35 -1.64 -3.46 112.91 108.90 1us6 h THR 60 Ca 0.01 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1us6 h THR 60 Cb 0.11 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1us6 h THR 60 CO -0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.85 1us6 n GLY 61 N -0.05 2.55 0.42 5.82 0.00 -1.10 -4.95 105.19 107.89 1us6 n GLY 61 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1us6 n GLY 61 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1us6 h GLN 62 N 2.77 -0.21 -6.30 1.61 4.15 -1.43 -3.42 115.11 112.28 1us6 h GLN 62 Ca 0.00 0.01 -0.46 0.00 0.77 0.00 0.00 58.65 58.98 1us6 h GLN 62 Cb 0.00 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 1us6 h GLN 62 CO 0.00 -0.14 -0.34 0.00 -1.93 0.00 0.00 178.83 176.42 1us6 s ALA 63 N -5.68 4.22 -0.18 3.38 0.00 0.18 -4.99 121.76 118.69 1us6 s ALA 63 Ca -0.14 -1.69 -0.35 0.00 0.00 0.00 0.00 51.96 49.78 1us6 s ALA 63 Cb 0.11 -1.37 0.14 0.00 0.00 0.00 0.00 23.12 22.00 1us6 s ALA 63 CO 0.64 -0.17 1.29 0.00 0.00 0.00 0.00 175.76 177.52 1us6 n GLY 65 N -0.17 -1.13 0.00 0.00 0.00 -1.26 -5.10 105.19 97.52 1us6 n GLY 65 Ca -0.01 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1us6 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1us6 n GLY 66 N -0.80 2.38 0.17 -0.02 0.00 -1.26 -4.53 105.19 101.14 1us6 n GLY 66 Ca 0.00 -1.84 -0.05 0.00 0.00 0.00 0.00 46.02 44.13 1us6 n GLY 66 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1us6 h PRO 67 N 0.00 -0.03 -0.74 1.61 0.11 -2.00 0.07 132.00 131.02 1us6 h PRO 67 Ca 0.00 0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.28 1us6 h PRO 67 Cb 0.00 0.01 -0.12 0.00 0.11 0.00 0.00 31.00 31.00 1us6 h PRO 67 CO 0.00 -0.02 0.13 0.37 -0.21 0.00 0.00 178.00 178.27 1us6 h GLN 68 N -0.03 0.20 -0.60 1.05 4.15 -2.00 3.29 115.11 121.17 1us6 h GLN 68 Ca 0.06 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1us6 h GLN 68 Cb 0.18 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 1us6 h GLN 68 CO -0.34 0.13 0.33 1.25 -1.93 0.00 0.00 178.83 178.28 1us6 h HIS 69 N 0.21 0.83 -0.81 3.99 2.76 -1.61 -2.26 115.15 118.25 1us6 h HIS 69 Ca 0.42 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.55 1us6 h HIS 69 Cb 0.74 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 29.39 1us6 h HIS 69 CO -0.31 0.59 0.44 0.82 -1.30 0.00 0.00 177.93 178.18 1us6 h ILE 70 N 0.82 1.24 -0.84 6.26 2.04 0.78 0.17 117.51 127.98 1us6 h ILE 70 Ca 0.21 -0.60 0.03 0.00 1.00 0.00 0.00 64.86 65.50 1us6 h ILE 70 Cb 0.04 0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 36.23 1us6 h ILE 70 CO -0.03 0.27 0.54 0.03 0.00 0.00 0.00 178.15 178.96 1us6 h ARG 71 N 1.13 1.04 -0.11 2.37 3.08 0.12 0.16 114.38 122.16 1us6 h ARG 71 Ca 0.28 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 1us6 h ARG 71 Cb 0.04 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 1us6 h ARG 71 CO -0.05 0.69 0.06 -0.92 -1.07 0.00 0.00 179.97 178.68 1us6 h TYR 72 N 1.07 0.16 -0.67 3.04 3.20 -0.79 -0.77 116.97 122.20 1us6 h TYR 72 Ca 0.33 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.20 1us6 h TYR 72 Cb -0.03 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 1us6 h TYR 72 CO -0.02 0.20 0.44 0.82 -1.64 0.00 0.00 178.16 177.96 1us6 h ILE 73 N 0.07 1.18 -0.70 1.81 1.08 -0.47 0.25 117.51 120.72 1us6 h ILE 73 Ca 0.04 -0.33 -0.00 0.00 -0.39 0.00 0.00 64.86 64.17 1us6 h ILE 73 Cb 0.10 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.01 1us6 h ILE 73 CO -0.01 0.17 0.42 -0.33 -0.69 0.00 0.00 178.15 177.72 1us6 h GLU 74 N 0.91 0.95 -0.45 2.37 5.08 -0.59 0.69 114.58 123.55 1us6 h GLU 74 Ca 0.25 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1us6 h GLU 74 Cb -0.09 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 28.94 1us6 h GLU 74 CO -0.05 0.68 -0.05 0.00 -1.00 0.00 0.00 179.01 178.59 1us6 h ALA 75 N 1.22 1.07 -0.35 3.43 0.00 -0.52 -1.74 119.26 122.37 1us6 h ALA 75 Ca 0.25 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1us6 h ALA 75 Cb -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1us6 h ALA 75 CO -0.05 0.58 -0.28 0.77 0.00 0.00 0.00 179.25 180.27 1us6 h SER 76 N 0.71 0.75 -0.23 0.00 0.02 -0.29 -1.29 113.55 113.22 1us6 h SER 76 Ca 0.13 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1us6 h SER 76 Cb 0.50 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1us6 h SER 76 CO 0.03 0.99 0.15 0.40 -1.14 0.00 0.00 176.83 177.25 1us6 h ILE 77 N 0.63 1.05 -0.17 3.27 2.04 -0.57 0.13 117.51 123.89 1us6 h ILE 77 Ca 0.08 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1us6 h ILE 77 Cb 0.79 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 1us6 h ILE 77 CO 0.06 0.06 -0.13 -0.08 0.00 0.00 0.00 178.15 178.06 1us6 h GLU 78 N 0.30 -0.13 -0.27 2.37 4.81 -1.10 0.29 114.58 120.85 1us6 h GLU 78 Ca 0.09 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 1us6 h GLU 78 Cb -0.03 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1us6 h GLU 78 CO -0.02 -0.09 -0.02 1.98 -0.73 0.00 0.00 179.01 180.13 1us6 h MET 79 N -0.13 0.06 -0.45 1.92 4.05 -1.01 -0.41 114.93 118.96 1us6 h MET 79 Ca 0.10 -0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.41 1us6 h MET 79 Cb 0.29 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.06 1us6 h MET 79 CO -0.25 0.04 -0.16 0.45 0.23 0.00 0.00 176.91 177.22 1us6 h HIS 80 N 0.06 0.95 -0.14 1.39 3.86 -0.23 -0.97 115.15 120.07 1us6 h HIS 80 Ca 0.13 -0.20 -0.02 0.00 -1.16 0.00 0.00 60.37 59.12 1us6 h HIS 80 Cb 0.17 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 1us6 h HIS 80 CO -0.22 0.95 0.02 0.00 0.86 0.00 0.00 177.93 179.54 1us6 h ALA 81 N 1.06 0.19 -0.41 2.45 0.00 -0.84 -2.35 119.26 119.36 1us6 h ALA 81 Ca 0.11 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1us6 h ALA 81 Cb 0.68 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1us6 h ALA 81 CO 0.05 -0.15 -0.00 0.37 0.00 0.00 0.00 179.25 179.51 1us6 h GLN 82 N 0.01 0.66 -0.49 0.00 -0.00 -0.93 -2.43 115.11 111.93 1us6 h GLN 82 Ca 0.04 -0.16 0.02 0.00 -0.00 0.00 0.00 58.65 58.56 1us6 h GLN 82 Cb 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 27.48 27.67 1us6 h GLN 82 CO 0.00 0.68 0.33 1.98 0.00 0.00 0.00 178.83 181.82 1us6 h MET 83 N 0.62 0.57 -0.64 1.69 4.05 -0.95 -0.33 114.93 119.93 1us6 h MET 83 Ca 0.13 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.52 1us6 h MET 83 Cb 0.40 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.03 1us6 h MET 83 CO 0.01 0.37 0.42 1.03 0.23 0.00 0.00 176.91 178.98 1us6 h SER 84 N 0.58 0.72 -0.37 1.39 0.87 -0.93 0.15 113.55 115.96 1us6 h SER 84 Ca 0.19 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 1us6 h SER 84 Cb 0.06 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 1us6 h SER 84 CO -0.05 0.52 0.08 0.00 -0.53 0.00 0.00 176.83 176.85 1us6 h ALA 85 N 1.24 0.49 -0.52 6.23 0.00 -1.24 -2.11 119.26 123.35 1us6 h ALA 85 Ca 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1us6 h ALA 85 Cb -0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1us6 h ALA 85 CO -0.06 0.18 0.24 1.25 0.00 0.00 0.00 179.25 180.86 1us6 h LEU 86 N 0.46 0.70 -1.13 0.00 5.85 -0.64 0.83 115.31 121.37 1us6 h LEU 86 Ca 0.12 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.73 1us6 h LEU 86 Cb 0.32 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1us6 h LEU 86 CO 0.00 0.65 0.59 0.78 -0.34 0.00 0.00 178.44 180.12 1us6 h ASN 87 N 0.70 0.97 -0.36 1.25 -0.26 -0.65 -0.81 115.58 116.42 1us6 h ASN 87 Ca 0.18 -0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.87 1us6 h ASN 87 Cb 0.14 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.16 1us6 h ASN 87 CO -0.02 0.67 0.09 0.74 -1.06 0.00 0.00 177.43 177.85 1us6 h THR 88 N 1.13 1.23 -0.47 2.81 2.02 -0.64 -1.09 112.91 117.89 1us6 h THR 88 Ca 0.35 -0.77 0.02 0.00 0.77 0.00 0.00 66.41 66.79 1us6 h THR 88 Cb 0.00 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 1us6 h THR 88 CO -0.10 0.26 0.28 -0.07 0.37 0.00 0.00 175.52 176.26 1us6 h LEU 89 N 0.44 0.45 -0.92 2.58 3.38 -0.26 -1.27 115.31 119.70 1us6 h LEU 89 Ca 0.11 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.18 1us6 h LEU 89 Cb 0.31 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 1us6 h LEU 89 CO 0.00 0.32 0.57 1.88 0.09 0.00 0.00 178.44 181.30 1us6 h TYR 90 N 0.56 1.04 -0.55 1.13 0.99 -0.67 0.17 116.97 119.64 1us6 h TYR 90 Ca 0.19 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.94 1us6 h TYR 90 Cb 0.02 -0.33 -0.03 0.00 1.00 0.00 0.00 36.73 37.40 1us6 h TYR 90 CO -0.07 0.46 0.28 0.77 -0.00 0.00 0.00 178.16 179.60 1us6 h SER 91 N 0.96 0.70 -0.23 3.88 0.02 -0.24 0.31 113.55 118.96 1us6 h SER 91 Ca 0.44 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 61.20 1us6 h SER 91 Cb 0.34 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1us6 h SER 91 CO -0.23 0.61 -0.15 0.40 -1.14 0.00 0.00 176.83 176.32 1us6 h ILE 92 N 0.74 1.31 -0.64 3.27 2.04 -0.73 -3.08 117.51 120.42 1us6 h ILE 92 Ca 0.19 -1.27 -0.06 0.00 1.00 0.00 0.00 64.86 64.73 1us6 h ILE 92 Cb 0.08 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1us6 h ILE 92 CO -0.03 0.39 0.18 -0.07 0.00 0.00 0.00 178.15 178.62 1us6 h LEU 93 N 0.22 0.94 0.00 1.44 3.38 -0.57 -3.48 115.31 117.25 1us6 h LEU 93 Ca 0.05 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1us6 h LEU 93 Cb 0.67 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1us6 h LEU 93 CO 0.04 0.91 0.00 0.61 0.09 0.00 0.00 178.44 180.10 1us6 n GLY 94 N -0.69 1.85 3.44 0.83 0.00 0.11 -5.04 105.19 105.68 1us6 n GLY 94 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1us6 n GLY 94 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1us6 s PHE 95 N -2.51 0.84 -0.25 1.61 -0.12 -1.23 -4.18 117.98 112.15 1us6 s PHE 95 Ca 0.00 -1.11 -0.08 0.00 -0.05 0.00 0.00 56.93 55.69 1us6 s PHE 95 Cb 0.00 -0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 42.22 1us6 s PHE 95 CO 0.00 -0.93 0.10 0.42 -0.05 0.00 0.00 175.22 174.75 1us6 s ILE 96 N -3.76 4.53 0.59 -4.49 1.01 -0.21 -4.72 121.20 114.15 1us6 s ILE 96 Ca 0.30 -0.10 -0.18 0.00 0.00 0.00 0.00 60.65 60.68 1us6 s ILE 96 Cb 0.02 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 1us6 s ILE 96 CO 0.14 0.32 1.11 -2.84 0.00 0.00 0.00 174.94 173.67 1us6 s PRO 97 N 1.63 3.17 -0.10 2.79 0.02 -1.26 -1.25 135.00 140.00 1us6 s PRO 97 Ca 0.06 1.48 -0.23 0.00 0.02 0.00 0.00 61.00 62.34 1us6 s PRO 97 Cb -0.15 -1.99 -0.03 0.00 0.02 0.00 0.00 34.50 32.34 1us6 s PRO 97 CO 0.05 -0.97 0.68 0.21 -0.33 0.00 0.00 177.00 176.64 1us6 s LYS 98 N -3.65 4.38 0.20 5.54 2.20 -0.70 -4.40 119.74 123.31 1us6 s LYS 98 Ca 0.70 0.80 0.00 0.00 -0.36 0.00 0.00 55.97 57.11 1us6 s LYS 98 Cb -0.22 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.63 1us6 s LYS 98 CO 0.33 -0.01 0.00 0.28 -0.36 0.00 0.00 175.35 175.58 1us6 n VAL 99 N 4.01 0.03 0.00 4.02 0.31 -1.26 -4.87 118.33 120.56 1us6 n VAL 99 Ca -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1us6 n VAL 99 Cb 0.51 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 1us6 n VAL 99 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03