#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u9p s PRO 8 N 0.00 0.06 0.01 0.03 0.04 -1.21 -4.83 135.00 129.10 1u9p s PRO 8 Ca 0.00 0.96 0.04 0.00 0.04 0.00 0.00 61.00 62.04 1u9p s PRO 8 Cb 0.00 -1.66 -0.02 0.00 0.04 0.00 0.00 34.50 32.87 1u9p s PRO 8 CO 0.00 -3.10 -0.12 -0.65 0.04 0.00 0.00 177.00 173.16 1u9p s GLN 9 N -4.64 0.91 -0.04 4.56 -0.21 -1.26 -3.10 119.66 115.88 1u9p s GLN 9 Ca 0.67 -0.58 -0.02 0.00 0.02 0.00 0.00 55.36 55.45 1u9p s GLN 9 Cb -0.22 -0.89 0.03 0.00 1.00 0.00 0.00 33.01 32.93 1u9p s GLN 9 CO 0.61 0.23 0.04 0.12 -2.12 0.00 0.00 175.29 174.17 1u9p s PHE 10 N -0.58 0.17 -0.87 0.91 5.36 -0.87 -4.97 117.98 117.13 1u9p s PHE 10 Ca 0.02 0.16 -0.24 0.00 -0.96 0.00 0.00 56.93 55.92 1u9p s PHE 10 Cb -0.06 -0.50 0.05 0.00 -0.34 0.00 0.00 43.02 42.17 1u9p s PHE 10 CO 0.00 -0.20 1.30 1.21 -1.46 0.00 0.00 175.22 176.07 1u9p s ASN 11 N 1.94 6.36 -0.10 6.13 2.47 -1.26 -1.65 114.94 128.82 1u9p s ASN 11 Ca 0.02 -1.12 -0.29 0.00 0.42 0.00 0.00 52.86 51.89 1u9p s ASN 11 Cb -0.12 -2.53 -0.04 0.00 -1.45 0.00 0.00 41.25 37.11 1u9p s ASN 11 CO -0.03 -1.56 1.59 -0.22 -3.72 0.00 0.00 177.10 173.15 1u9p s LEU 12 N 4.86 4.21 -0.45 3.21 2.96 0.10 -4.85 118.68 128.72 1u9p s LEU 12 Ca 0.38 2.03 -0.16 0.00 -0.22 0.00 0.00 54.13 56.16 1u9p s LEU 12 Cb -0.05 -3.53 0.05 0.00 0.50 0.00 0.00 46.19 43.16 1u9p s LEU 12 CO 0.01 -0.97 0.38 -0.60 -1.32 0.00 0.00 176.35 173.86 1u9p s ARG 13 N 4.08 2.99 0.22 1.98 3.52 -1.26 -1.41 118.95 129.07 1u9p s ARG 13 Ca 0.70 -1.20 -0.31 0.00 -0.13 0.00 0.00 55.73 54.79 1u9p s ARG 13 Cb -0.30 -4.08 -0.11 0.00 -1.56 0.00 0.00 34.95 28.91 1u9p s ARG 13 CO 0.27 -0.95 1.57 -0.46 -0.81 0.00 0.00 175.30 174.92 1u9p s TRP 14 N 1.73 2.96 1.00 5.12 -0.11 -0.78 -4.95 118.94 123.91 1u9p s TRP 14 Ca 0.05 0.69 -0.14 0.00 1.22 0.00 0.00 56.10 57.93 1u9p s TRP 14 Cb -0.22 -3.97 0.08 0.00 -1.50 0.00 0.00 33.47 27.86 1u9p s TRP 14 CO 0.08 -3.45 0.46 -0.35 -4.62 0.00 0.00 176.95 169.07 1u9p n PRO 15 N 3.25 -0.76 -3.56 5.86 -0.04 -1.26 -1.66 135.00 136.83 1u9p n PRO 15 Ca 0.11 -0.18 -0.20 0.00 -0.04 0.00 0.00 63.50 63.19 1u9p n PRO 15 Cb 0.38 -1.92 0.06 0.00 -0.04 0.00 0.00 33.50 31.98 1u9p n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u9p n GLY 16 N 1.41 -0.48 3.89 0.55 0.00 -1.26 -2.49 105.19 106.82 1u9p n GLY 16 Ca 0.06 0.20 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 1u9p n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u9p n GLY 17 N -1.40 -0.40 3.98 -0.02 0.00 -1.26 -4.97 105.19 101.12 1u9p n GLY 17 Ca -0.25 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 1u9p n GLY 17 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u9p s GLY 18 N -3.72 1.77 1.16 -0.02 0.00 -0.66 -5.07 107.32 100.78 1u9p s GLY 18 Ca 0.42 -1.51 -0.13 0.00 0.00 0.00 0.00 44.72 43.49 1u9p s GLY 18 CO 0.84 -1.04 1.03 2.56 0.00 0.00 0.00 173.10 176.50 1u9p s PRO 19 N -5.06 -0.85 -0.04 2.90 0.04 -1.26 -4.31 135.00 126.41 1u9p s PRO 19 Ca 0.63 0.69 0.07 0.00 0.04 0.00 0.00 61.00 62.43 1u9p s PRO 19 Cb -0.07 -1.57 -0.01 0.00 0.04 0.00 0.00 34.50 32.88 1u9p s PRO 19 CO 0.43 -3.64 -0.25 -0.65 0.04 0.00 0.00 177.00 172.93 1u9p s GLN 20 N -4.60 2.30 -0.09 4.56 -0.21 -1.26 -1.87 119.66 118.49 1u9p s GLN 20 Ca 0.68 -0.90 0.04 0.00 0.02 0.00 0.00 55.36 55.20 1u9p s GLN 20 Cb -0.23 -2.07 -0.00 0.00 1.00 0.00 0.00 33.01 31.71 1u9p s GLN 20 CO 0.63 0.46 -0.22 -0.06 -2.12 0.00 0.00 175.29 173.98 1u9p s PHE 21 N -0.37 2.35 -0.50 0.91 0.40 -0.50 -4.96 117.98 115.31 1u9p s PHE 21 Ca 0.03 -0.90 -0.23 0.00 -0.60 0.00 0.00 56.93 55.23 1u9p s PHE 21 Cb -0.12 -1.58 0.04 0.00 0.51 0.00 0.00 43.02 41.87 1u9p s PHE 21 CO 0.01 -0.35 0.84 1.21 0.70 0.00 0.00 175.22 177.63 1u9p s ASN 22 N 0.28 6.36 -0.35 1.36 3.84 -1.26 -0.72 114.94 124.44 1u9p s ASN 22 Ca -0.15 -0.30 -0.17 0.00 0.21 0.00 0.00 52.86 52.45 1u9p s ASN 22 Cb -0.17 -2.40 -0.00 0.00 -0.55 0.00 0.00 41.25 38.13 1u9p s ASN 22 CO 0.07 -1.05 0.45 -0.76 -2.79 0.00 0.00 177.10 173.02 1u9p s LEU 23 N 3.51 4.42 -1.14 3.21 1.43 -0.66 -4.94 118.68 124.51 1u9p s LEU 23 Ca 0.29 -0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 53.14 1u9p s LEU 23 Cb -0.13 -2.48 0.26 0.00 0.03 0.00 0.00 46.19 43.86 1u9p s LEU 23 CO 0.20 -0.44 1.25 0.54 0.23 0.00 0.00 176.35 178.13 1u9p n ARG 24 N 5.61 3.63 -4.02 1.70 5.12 -1.26 -2.05 116.66 125.38 1u9p n ARG 24 Ca -0.06 -4.32 -0.22 0.00 -1.93 0.00 0.00 57.85 51.32 1u9p n ARG 24 Cb 0.49 -2.65 -0.04 0.00 -1.16 0.00 0.00 32.46 29.09 1u9p n ARG 24 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1u9p s TRP 25 N -0.86 3.06 0.63 -1.55 0.51 -1.18 -4.93 118.94 114.62 1u9p s TRP 25 Ca 0.34 -0.16 -0.18 0.00 -2.12 0.00 0.00 56.10 53.97 1u9p s TRP 25 Cb -0.06 -1.52 -0.02 0.00 -0.81 0.00 0.00 33.47 31.07 1u9p s TRP 25 CO -0.04 0.42 1.28 -2.14 -0.51 0.00 0.00 176.95 175.97 1u9p s PRO 26 N -3.89 2.64 0.21 4.98 0.02 -1.26 -3.33 135.00 134.37 1u9p s PRO 26 Ca 0.35 2.04 -0.10 0.00 0.02 0.00 0.00 61.00 63.30 1u9p s PRO 26 Cb -0.07 -1.87 0.16 0.00 0.02 0.00 0.00 34.50 32.73 1u9p s PRO 26 CO 0.26 -1.52 1.88 0.00 -0.33 0.00 0.00 177.00 177.28 1u9p h ARG 27 N 0.64 0.96 -0.04 5.54 3.08 -1.97 -2.55 114.38 120.04 1u9p h ARG 27 Ca -0.51 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.47 1u9p h ARG 27 Cb 1.33 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 1u9p h ARG 27 CO 0.54 0.63 -0.06 1.05 -1.07 0.00 0.00 179.97 181.06 1u9p h GLU 28 N 0.98 0.05 -0.01 0.04 9.09 -1.99 -1.24 114.58 121.50 1u9p h GLU 28 Ca 0.27 -0.01 -0.02 0.00 0.05 0.00 0.00 59.36 59.66 1u9p h GLU 28 Cb -0.10 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 26.99 1u9p h GLU 28 CO -0.07 0.12 -0.07 0.28 0.05 0.00 0.00 179.01 179.32 1u9p h VAL 29 N 0.05 1.54 -0.50 -1.06 2.07 -1.83 -2.98 116.25 113.54 1u9p h VAL 29 Ca 0.01 -1.69 -0.05 0.00 0.82 0.00 0.00 66.70 65.79 1u9p h VAL 29 Cb 0.14 2.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 1u9p h VAL 29 CO 0.01 0.45 0.10 0.25 0.02 0.00 0.00 177.57 178.40 1u9p h LEU 30 N -0.61 0.71 -0.89 2.57 5.85 -1.32 -2.32 115.31 119.30 1u9p h LEU 30 Ca -0.01 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 1u9p h LEU 30 Cb 0.77 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1u9p h LEU 30 CO 0.01 0.72 0.29 0.44 -0.34 0.00 0.00 178.44 179.56 1u9p h ASP 31 N 0.73 1.02 -0.71 1.25 3.45 -1.30 -1.97 116.42 118.89 1u9p h ASP 31 Ca 0.16 -0.15 -0.06 0.00 0.43 0.00 0.00 57.03 57.41 1u9p h ASP 31 Cb 0.30 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.78 1u9p h ASP 31 CO 0.00 0.90 0.21 0.25 -1.57 0.00 0.00 179.24 179.04 1u9p h LEU 32 N 1.08 1.05 -1.08 1.55 5.85 -1.30 -2.42 115.31 120.03 1u9p h LEU 32 Ca 0.25 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1u9p h LEU 32 Cb 0.21 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 1u9p h LEU 32 CO -0.02 0.99 0.62 0.58 -0.34 0.00 0.00 178.44 180.26 1u9p h VAL 33 N 1.06 1.14 -0.32 1.05 2.07 -0.85 -2.07 116.25 118.32 1u9p h VAL 33 Ca 0.23 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 1u9p h VAL 33 Cb 0.32 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 1u9p h VAL 33 CO -0.01 0.21 -0.06 0.03 0.02 0.00 0.00 177.57 177.77 1u9p h ARG 34 N 1.17 0.60 -0.32 1.57 3.08 -0.97 -1.99 114.38 117.52 1u9p h ARG 34 Ca 0.38 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 1u9p h ARG 34 Cb 0.05 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1u9p h ARG 34 CO -0.12 0.77 0.19 -0.22 -1.07 0.00 0.00 179.97 179.52 1u9p h LYS 35 N 0.38 0.44 -0.60 0.04 3.64 -1.12 -1.64 116.57 117.72 1u9p h LYS 35 Ca 0.08 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 1u9p h LYS 35 Cb 0.54 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1u9p h LYS 35 CO 0.03 0.35 0.02 0.28 -2.27 0.00 0.00 179.45 177.85 1u9p h VAL 36 N 0.41 1.26 -0.44 2.00 2.07 -1.39 -2.68 116.25 117.49 1u9p h VAL 36 Ca 0.12 -1.13 0.03 0.00 0.82 0.00 0.00 66.70 66.54 1u9p h VAL 36 Cb 0.02 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1u9p h VAL 36 CO -0.02 0.41 0.24 0.00 0.02 0.00 0.00 177.57 178.22 1u9p h ALA 37 N 0.99 0.55 -0.34 1.67 0.00 -1.11 -2.20 119.26 118.82 1u9p h ALA 37 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1u9p h ALA 37 Cb 0.54 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1u9p h ALA 37 CO 0.03 -0.10 0.22 1.49 0.00 0.00 0.00 179.25 180.89 1u9p h GLU 38 N 0.48 0.44 -0.85 0.00 4.81 -1.16 -0.69 114.58 117.62 1u9p h GLU 38 Ca 0.18 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.49 1u9p h GLU 38 Cb 0.05 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.27 1u9p h GLU 38 CO -0.10 0.29 0.55 1.49 -0.73 0.00 0.00 179.01 180.51 1u9p h GLU 39 N 0.46 0.78 -0.01 1.92 4.81 -1.22 -1.45 114.58 119.87 1u9p h GLU 39 Ca 0.13 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1u9p h GLU 39 Cb -0.04 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.16 1u9p h GLU 39 CO -0.03 0.51 -0.10 0.09 -0.73 0.00 0.00 179.01 178.75 1u9p n ASN 40 N -4.52 0.62 -1.00 1.04 3.02 -0.85 -4.92 115.26 108.65 1u9p n ASN 40 Ca 0.15 -0.77 -0.08 0.00 -0.03 0.00 0.00 54.58 53.85 1u9p n ASN 40 Cb 0.34 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 1u9p n ASN 40 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u9p n GLY 41 N 1.25 0.12 3.51 7.41 0.00 -0.55 -5.04 105.19 111.89 1u9p n GLY 41 Ca 0.16 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 1u9p n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u9p s ARG 42 N -4.58 1.73 0.49 1.61 0.52 -0.33 -5.03 118.95 113.35 1u9p s ARG 42 Ca 0.04 -1.92 -0.08 0.00 -0.52 0.00 0.00 55.73 53.25 1u9p s ARG 42 Cb -0.02 -1.38 -0.05 0.00 0.52 0.00 0.00 34.95 34.02 1u9p s ARG 42 CO 0.05 0.02 0.83 -1.54 0.02 0.00 0.00 175.30 174.68 1u9p s SER 43 N -3.55 6.35 0.36 0.23 1.04 -1.26 -4.14 113.70 112.72 1u9p s SER 43 Ca 0.33 1.10 0.03 0.00 0.48 0.00 0.00 55.95 57.89 1u9p s SER 43 Cb 0.05 -2.32 0.67 0.00 0.10 0.00 0.00 66.02 64.52 1u9p s SER 43 CO 0.15 -0.58 1.99 0.58 0.98 0.00 0.00 173.24 176.36 1u9p h VAL 44 N 0.41 1.16 -0.21 5.02 2.07 -1.93 0.14 116.25 122.90 1u9p h VAL 44 Ca -0.46 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1u9p h VAL 44 Cb 1.20 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1u9p h VAL 44 CO 0.62 0.17 0.10 -1.13 0.02 0.00 0.00 177.57 177.36 1u9p h ASN 45 N 0.73 0.28 -0.41 0.57 -1.24 -1.95 -1.12 115.58 112.44 1u9p h ASN 45 Ca 0.19 -0.13 -0.07 0.00 0.71 0.00 0.00 56.30 57.01 1u9p h ASN 45 Cb 0.00 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 38.96 1u9p h ASN 45 CO -0.03 0.33 -0.00 -1.28 -1.29 0.00 0.00 177.43 175.16 1u9p h SER 46 N 0.21 0.71 -0.80 1.15 0.87 -1.75 -2.30 113.55 111.64 1u9p h SER 46 Ca 0.07 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.32 1u9p h SER 46 Cb 0.13 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 1u9p h SER 46 CO -0.01 0.85 0.47 -0.08 -0.53 0.00 0.00 176.83 177.53 1u9p h GLU 47 N 0.56 1.09 -0.29 2.24 4.57 -0.57 0.18 114.58 122.37 1u9p h GLU 47 Ca 0.12 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 1u9p h GLU 47 Cb 0.48 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1u9p h GLU 47 CO 0.02 0.78 0.00 0.82 -1.18 0.00 0.00 179.01 179.45 1u9p h ILE 48 N 1.10 1.26 0.10 2.32 2.04 -1.14 -1.73 117.51 121.46 1u9p h ILE 48 Ca 0.28 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 1u9p h ILE 48 Cb -0.02 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1u9p h ILE 48 CO -0.05 0.30 -0.05 0.22 0.00 0.00 0.00 178.15 178.57 1u9p h TYR 49 N 0.30 -0.13 -0.86 1.37 3.20 -1.19 -0.88 116.97 118.79 1u9p h TYR 49 Ca 0.08 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.10 1u9p h TYR 49 Cb 0.43 0.04 -0.10 0.00 1.54 0.00 0.00 36.73 38.64 1u9p h TYR 49 CO 0.04 -0.05 0.45 1.96 -1.64 0.00 0.00 178.16 178.91 1u9p h GLN 50 N -0.17 0.61 -0.26 1.82 1.08 -0.58 0.44 115.11 118.05 1u9p h GLN 50 Ca -0.01 -0.04 -0.15 0.00 -1.45 0.00 0.00 58.65 57.00 1u9p h GLN 50 Cb 0.14 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1u9p h GLN 50 CO 0.02 0.40 -0.45 0.00 -0.95 0.00 0.00 178.83 177.86 1u9p h ARG 51 N 0.63 0.66 -0.29 1.46 3.08 -0.87 0.40 114.38 119.44 1u9p h ARG 51 Ca 0.47 -0.36 -0.18 0.00 0.07 0.00 0.00 59.98 59.98 1u9p h ARG 51 Cb 0.67 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1u9p h ARG 51 CO -0.37 0.97 -0.52 0.28 -1.07 0.00 0.00 179.97 179.27 1u9p h VAL 52 N 0.53 1.28 0.01 2.04 2.07 -0.18 -0.77 116.25 121.22 1u9p h VAL 52 Ca 0.03 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 65.85 1u9p h VAL 52 Cb 0.99 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1u9p h VAL 52 CO 0.09 0.56 -0.01 -0.03 0.02 0.00 0.00 177.57 178.20 1u9p h MET 53 N 0.64 -0.02 -0.08 1.57 1.85 -0.01 -1.98 114.93 116.90 1u9p h MET 53 Ca 0.02 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.09 1u9p h MET 53 Cb 1.13 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.15 1u9p h MET 53 CO 0.12 -0.01 -0.05 0.93 -0.40 0.00 0.00 176.91 177.50 1u9p h GLU 54 N -0.02 0.12 -0.19 0.39 5.08 -0.13 0.09 114.58 119.91 1u9p h GLU 54 Ca 0.00 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 1u9p h GLU 54 Cb 0.02 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1u9p h GLU 54 CO -0.00 0.17 -0.40 0.66 -1.00 0.00 0.00 179.01 178.44 1u9p h SER 55 N 0.12 0.47 0.73 1.42 4.64 -0.42 0.12 113.55 120.63 1u9p h SER 55 Ca 0.03 -0.20 -0.26 0.00 -0.47 0.00 0.00 61.79 60.89 1u9p h SER 55 Cb 0.16 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1u9p h SER 55 CO 0.01 0.82 -1.21 -0.26 -0.87 0.00 0.00 176.83 175.33 1u9p h PHE 56 N 0.37 0.31 -0.02 4.77 0.04 -0.95 -2.06 116.94 119.40 1u9p h PHE 56 Ca 0.03 -0.22 -0.07 0.00 2.80 0.00 0.00 57.97 60.51 1u9p h PHE 56 Cb 0.87 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.99 1u9p h PHE 56 CO 0.03 1.19 -0.31 -0.22 -0.60 0.00 0.00 178.31 178.39 1u9p h LYS 57 N 0.05 0.03 -0.09 1.51 3.64 -0.81 0.24 116.57 121.14 1u9p h LYS 57 Ca -0.11 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.08 1u9p h LYS 57 Cb 1.91 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.72 1u9p h LYS 57 CO 0.17 0.34 -0.70 -0.22 -2.27 0.00 0.00 179.45 176.77 1u9p h LYS 58 N 0.03 0.42 -0.20 1.90 3.64 -0.64 -2.70 116.57 119.01 1u9p h LYS 58 Ca 0.00 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1u9p h LYS 58 Cb 0.57 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1u9p h LYS 58 CO 0.04 0.96 0.00 0.39 -2.27 0.00 0.00 179.45 178.57 1u9p n GLU 59 N -3.86 1.49 -1.92 1.90 1.02 -0.58 -4.91 120.64 113.79 1u9p n GLU 59 Ca -0.04 -0.76 -0.15 0.00 -0.02 0.00 0.00 57.16 56.19 1u9p n GLU 59 Cb 0.69 -1.20 -0.03 0.00 -0.02 0.00 0.00 31.44 30.88 1u9p n GLU 59 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u9p n GLY 60 N 0.87 0.52 1.01 0.62 0.00 -0.18 -4.89 105.19 103.14 1u9p n GLY 60 Ca 0.09 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.95 1u9p n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u9p n ARG 61 N -2.50 2.35 0.00 1.61 1.74 0.67 -4.78 116.66 115.74 1u9p n ARG 61 Ca -0.17 -2.01 0.00 0.00 -0.77 0.00 0.00 57.85 54.91 1u9p n ARG 61 Cb 0.58 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 1u9p n ARG 61 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1u9p n ILE 62 N 1.29 0.00 -2.92 0.55 2.08 -1.24 -4.93 119.36 114.20 1u9p n ILE 62 Ca 0.17 0.00 -0.19 0.00 0.56 0.00 0.00 62.75 63.29 1u9p n ILE 62 Cb 0.57 -0.11 0.00 0.00 -0.75 0.00 0.00 39.64 39.36 1u9p n ILE 62 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1u9p n GLY 63 N 4.32 -0.50 0.00 7.39 0.00 -1.26 -5.07 105.19 110.07 1u9p n GLY 63 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1u9p n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u9p n GLY 69 N -1.11 2.39 0.00 -0.02 0.00 -1.26 -5.17 105.19 100.03 1u9p n GLY 69 Ca -0.09 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1u9p n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u9p n GLY 70 N 0.00 -0.97 0.00 -0.02 0.00 -1.26 -5.03 105.19 97.91 1u9p n GLY 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1u9p n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u9p n GLY 71 N 0.00 2.86 0.25 -0.02 0.00 -1.26 -4.09 105.19 102.92 1u9p n GLY 71 Ca 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 46.02 45.21 1u9p n GLY 71 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1u9p h ARG 72 N 0.00 0.70 -0.19 1.61 9.65 -1.93 -2.27 114.38 121.95 1u9p h ARG 72 Ca 0.00 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 58.88 1u9p h ARG 72 Cb 0.00 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 28.38 1u9p h ARG 72 CO 0.00 0.47 -0.05 1.49 2.80 0.00 0.00 179.97 184.67 1u9p h GLU 73 N 0.73 -0.01 -0.39 0.20 4.81 -1.99 -2.03 114.58 115.89 1u9p h GLU 73 Ca 0.26 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.42 1u9p h GLU 73 Cb 0.07 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1u9p h GLU 73 CO -0.13 -0.01 -0.06 0.28 -0.73 0.00 0.00 179.01 178.37 1u9p h VAL 74 N -0.01 1.23 0.12 0.32 2.07 -1.92 -2.93 116.25 115.13 1u9p h VAL 74 Ca 0.09 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1u9p h VAL 74 Cb 0.15 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1u9p h VAL 74 CO -0.20 0.34 -0.06 0.25 0.02 0.00 0.00 177.57 177.93 1u9p h LEU 75 N 0.61 -0.13 -1.44 2.57 5.85 -0.91 -1.70 115.31 120.16 1u9p h LEU 75 Ca 0.12 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1u9p h LEU 75 Cb 0.47 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1u9p h LEU 75 CO 0.02 -0.06 0.42 0.44 -0.34 0.00 0.00 178.44 178.93 1u9p h ASP 76 N -0.20 0.61 -0.21 1.25 3.45 -1.32 -2.23 116.42 117.77 1u9p h ASP 76 Ca -0.02 -0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.42 1u9p h ASP 76 Cb 0.16 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 38.78 1u9p h ASP 76 CO 0.03 0.41 0.04 -0.07 -1.57 0.00 0.00 179.24 178.08 1u9p h LEU 77 N 0.71 0.33 -0.99 1.55 4.07 -1.28 -2.75 115.31 116.94 1u9p h LEU 77 Ca 0.27 -0.25 0.03 0.00 0.08 0.00 0.00 57.88 58.01 1u9p h LEU 77 Cb 0.16 -0.09 -0.06 0.00 1.08 0.00 0.00 40.66 41.76 1u9p h LEU 77 CO -0.08 0.49 0.65 -0.37 -1.08 0.00 0.00 178.44 178.05 1u9p h VAL 78 N 0.15 1.18 -0.35 1.22 -1.51 -0.75 -2.29 116.25 113.92 1u9p h VAL 78 Ca 0.07 -0.43 -0.01 0.00 -1.23 0.00 0.00 66.70 65.09 1u9p h VAL 78 Cb 0.30 -0.19 -0.02 0.00 -2.13 0.00 0.00 31.29 29.25 1u9p h VAL 78 CO 0.00 0.23 0.19 0.03 -1.23 0.00 0.00 177.57 176.79 1u9p h ARG 79 N 1.26 0.49 0.17 5.19 3.08 -1.33 -1.92 114.38 121.32 1u9p h ARG 79 Ca 0.39 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 1u9p h ARG 79 Cb -0.02 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1u9p h ARG 79 CO -0.12 0.41 -0.08 -0.22 -1.07 0.00 0.00 179.97 178.89 1u9p h LYS 80 N 0.44 -0.22 -0.57 0.04 3.64 -1.22 -2.82 116.57 115.86 1u9p h LYS 80 Ca 0.12 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1u9p h LYS 80 Cb 0.06 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1u9p h LYS 80 CO -0.02 -0.03 0.27 0.28 -2.27 0.00 0.00 179.45 177.67 1u9p h VAL 81 N -0.36 1.19 -0.44 2.00 2.07 -1.42 -2.16 116.25 117.13 1u9p h VAL 81 Ca -0.02 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1u9p h VAL 81 Cb 0.29 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1u9p h VAL 81 CO 0.04 0.22 0.22 0.00 0.02 0.00 0.00 177.57 178.07 1u9p h ALA 82 N 1.50 0.56 -0.79 1.67 0.00 -1.30 -1.73 119.26 119.17 1u9p h ALA 82 Ca 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1u9p h ALA 82 Cb 0.09 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1u9p h ALA 82 CO -0.03 0.12 0.49 1.49 0.00 0.00 0.00 179.25 181.32 1u9p h GLU 83 N 0.57 1.06 -0.84 0.00 4.81 -1.18 0.39 114.58 119.39 1u9p h GLU 83 Ca 0.15 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1u9p h GLU 83 Cb 0.10 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 1u9p h GLU 83 CO -0.02 0.74 0.48 0.93 -0.73 0.00 0.00 179.01 180.41 1u9p h GLU 84 N 1.08 1.15 -0.00 1.92 5.08 -1.14 -2.58 114.58 120.09 1u9p h GLU 84 Ca 0.28 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1u9p h GLU 84 Cb -0.06 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 28.96 1u9p h GLU 84 CO -0.06 0.83 -0.06 0.09 -1.00 0.00 0.00 179.01 178.81 1u9p n ASN 85 N -4.41 0.14 -0.60 1.42 3.02 -0.67 -4.91 115.26 109.26 1u9p n ASN 85 Ca 0.08 -0.08 -0.05 0.00 -0.03 0.00 0.00 54.58 54.51 1u9p n ASN 85 Cb 0.08 -0.25 -0.00 0.00 -0.61 0.00 0.00 39.78 38.99 1u9p n ASN 85 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u9p n GLY 86 N 1.36 0.17 3.63 7.41 0.00 -0.53 -5.04 105.19 112.20 1u9p n GLY 86 Ca 0.12 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 1u9p n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u9p s ARG 87 N -4.21 2.01 0.49 1.61 0.52 0.02 -5.03 118.95 114.36 1u9p s ARG 87 Ca 0.00 -1.92 -0.05 0.00 -0.52 0.00 0.00 55.73 53.24 1u9p s ARG 87 Cb 0.00 -1.80 -0.03 0.00 0.52 0.00 0.00 34.95 33.63 1u9p s ARG 87 CO 0.00 0.03 0.80 -1.54 0.02 0.00 0.00 175.30 174.62 1u9p s SER 88 N -3.72 6.23 0.34 0.23 1.04 -1.26 -4.06 113.70 112.49 1u9p s SER 88 Ca 0.35 0.94 0.02 0.00 0.48 0.00 0.00 55.95 57.74 1u9p s SER 88 Cb 0.04 -2.24 0.59 0.00 0.10 0.00 0.00 66.02 64.52 1u9p s SER 88 CO 0.19 -0.61 1.97 0.58 0.98 0.00 0.00 173.24 176.35 1u9p h VAL 89 N 0.18 1.18 -0.65 5.02 2.07 -1.92 -1.28 116.25 120.84 1u9p h VAL 89 Ca -0.47 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1u9p h VAL 89 Cb 1.21 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1u9p h VAL 89 CO 0.62 0.19 0.41 0.78 0.02 0.00 0.00 177.57 179.58 1u9p h ASN 90 N 0.84 0.77 -0.05 0.57 4.21 -1.94 -0.80 115.58 119.17 1u9p h ASN 90 Ca 0.22 -0.04 -0.14 0.00 1.21 0.00 0.00 56.30 57.55 1u9p h ASN 90 Cb -0.02 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 36.98 1u9p h ASN 90 CO -0.04 0.58 -0.42 -1.28 -1.29 0.00 0.00 177.43 174.98 1u9p h SER 91 N 0.88 0.62 -0.43 5.81 0.87 -1.80 -2.20 113.55 117.30 1u9p h SER 91 Ca 0.24 -0.28 -0.06 0.00 -1.23 0.00 0.00 61.79 60.45 1u9p h SER 91 Cb -0.06 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 1u9p h SER 91 CO -0.05 0.96 0.03 -0.08 -0.53 0.00 0.00 176.83 177.17 1u9p h GLU 92 N 0.47 0.74 -0.89 2.24 4.57 -0.80 -0.96 114.58 119.96 1u9p h GLU 92 Ca 0.04 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 57.98 1u9p h GLU 92 Cb 0.93 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.41 1u9p h GLU 92 CO 0.08 0.79 0.48 0.82 -1.18 0.00 0.00 179.01 180.01 1u9p h ILE 93 N 0.59 1.26 -0.23 2.32 2.04 -1.04 -2.21 117.51 120.23 1u9p h ILE 93 Ca 0.13 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1u9p h ILE 93 Cb 0.44 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1u9p h ILE 93 CO 0.02 0.29 0.09 0.22 0.00 0.00 0.00 178.15 178.77 1u9p h TYR 94 N 1.25 0.36 -1.00 1.37 5.03 -1.18 -1.12 116.97 121.68 1u9p h TYR 94 Ca 0.31 -0.03 0.05 0.00 2.58 0.00 0.00 58.73 61.65 1u9p h TYR 94 Cb 0.03 -0.11 -0.06 0.00 1.55 0.00 0.00 36.73 38.14 1u9p h TYR 94 CO 0.01 0.39 0.65 1.96 -1.32 0.00 0.00 178.16 179.86 1u9p h GLN 95 N 0.22 1.19 -0.35 1.82 1.08 -0.93 -1.13 115.11 117.01 1u9p h GLN 95 Ca 0.08 -0.07 -0.16 0.00 -1.45 0.00 0.00 58.65 57.04 1u9p h GLN 95 Cb 0.19 -0.27 -0.00 0.00 -0.05 0.00 0.00 27.48 27.34 1u9p h GLN 95 CO -0.01 0.79 -0.42 0.00 -0.95 0.00 0.00 178.83 178.24 1u9p h ARG 96 N 1.22 0.90 -0.35 1.46 3.08 -1.11 -1.25 114.38 118.34 1u9p h ARG 96 Ca 0.42 -0.50 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 1u9p h ARG 96 Cb 0.09 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1u9p h ARG 96 CO -0.15 1.15 -0.08 0.28 -1.07 0.00 0.00 179.97 180.10 1u9p h VAL 97 N 0.71 1.28 -0.47 2.04 2.07 -0.93 -2.17 116.25 118.77 1u9p h VAL 97 Ca 0.05 -1.13 0.04 0.00 0.82 0.00 0.00 66.70 66.47 1u9p h VAL 97 Cb 1.02 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 1u9p h VAL 97 CO 0.10 0.37 0.24 0.24 0.02 0.00 0.00 177.57 178.54 1u9p h MET 98 N 0.45 0.46 -0.85 1.57 2.86 -1.15 -1.61 114.93 116.67 1u9p h MET 98 Ca 0.09 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1u9p h MET 98 Cb 0.58 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.09 1u9p h MET 98 CO 0.03 0.30 0.51 0.93 1.06 0.00 0.00 176.91 179.75 1u9p h GLU 99 N 0.47 1.14 0.00 1.72 4.39 -1.13 -1.41 114.58 119.76 1u9p h GLU 99 Ca 0.20 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.75 1u9p h GLU 99 Cb 0.11 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1u9p h GLU 99 CO -0.14 0.80 -0.27 0.66 -1.16 0.00 0.00 179.01 178.89 1u9p h SER 100 N 1.16 0.00 -0.15 1.42 4.64 -0.65 -0.91 113.55 119.06 1u9p h SER 100 Ca 0.30 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.44 1u9p h SER 100 Cb -0.06 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1u9p h SER 100 CO -0.06 0.27 -0.62 -0.26 -0.87 0.00 0.00 176.83 175.29 1u9p h PHE 101 N 0.00 0.91 -0.23 4.77 0.05 -0.62 -2.32 116.94 119.50 1u9p h PHE 101 Ca -0.00 -0.39 0.01 0.00 3.82 0.00 0.00 57.97 61.40 1u9p h PHE 101 Cb 0.51 -0.14 -0.01 0.00 2.00 0.00 0.00 35.95 38.31 1u9p h PHE 101 CO 0.00 1.19 0.14 0.87 -0.18 0.00 0.00 178.31 180.33 1u9p h LYS 102 N 0.36 0.28 -0.94 1.51 1.57 -0.82 0.18 116.57 118.71 1u9p h LYS 102 Ca -0.04 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.80 1u9p h LYS 102 Cb 1.25 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.43 1u9p h LYS 102 CO 0.13 0.19 0.59 0.87 -0.57 0.00 0.00 179.45 180.66 1u9p h LYS 103 N 0.29 1.03 -0.00 3.15 6.56 -1.17 -1.25 116.57 125.18 1u9p h LYS 103 Ca 0.09 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1u9p h LYS 103 Cb -0.02 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 31.41 1u9p h LYS 103 CO -0.03 0.68 -0.01 0.39 -2.06 0.00 0.00 179.45 178.42 1u9p n GLU 104 N -4.57 1.10 -1.91 3.15 1.02 -0.88 -4.90 120.64 113.66 1u9p n GLU 104 Ca 0.15 -0.21 -0.10 0.00 -0.02 0.00 0.00 57.16 56.98 1u9p n GLU 104 Cb 0.20 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 1u9p n GLU 104 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u9p n GLY 105 N 1.06 0.31 0.02 0.62 0.00 -0.47 -4.91 105.19 101.82 1u9p n GLY 105 Ca 0.22 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.84 1u9p n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u9p n ARG 106 N -2.16 0.10 0.00 1.61 1.74 -0.02 -5.03 116.66 112.90 1u9p n ARG 106 Ca -0.11 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 1u9p n ARG 106 Cb 0.51 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 1u9p n ARG 106 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55