#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9i s SER 2 N 0.00 5.40 0.30 1.61 0.15 -1.26 -4.98 113.70 114.92 2d9i s SER 2 Ca 0.00 0.03 0.14 0.00 0.70 0.00 0.00 55.95 56.81 2d9i s SER 2 Cb 0.00 -1.91 1.02 0.00 -1.71 0.00 0.00 66.02 63.42 2d9i s SER 2 CO 0.00 0.18 1.35 -1.20 1.20 0.00 0.00 173.24 174.77 2d9i n SER 3 N 3.51 0.19 -4.04 5.45 7.64 -1.26 -2.08 113.62 123.03 2d9i n SER 3 Ca -0.17 1.44 -0.34 0.00 1.01 0.00 0.00 58.87 60.81 2d9i n SER 3 Cb 0.52 -0.65 -0.08 0.00 -1.01 0.00 0.00 64.21 62.99 2d9i n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2d9i s GLY 4 N -4.29 2.99 -0.09 0.23 0.00 -1.26 -5.04 107.32 99.86 2d9i s GLY 4 Ca -0.09 -3.79 0.02 0.00 0.00 0.00 0.00 44.72 40.86 2d9i s GLY 4 CO 0.67 1.15 -0.14 -0.45 0.00 0.00 0.00 173.10 174.33 2d9i s SER 5 N -0.49 2.23 0.10 1.64 0.15 -0.89 -5.13 113.70 111.32 2d9i s SER 5 Ca 0.26 -0.38 -0.22 0.00 0.70 0.00 0.00 55.95 56.31 2d9i s SER 5 Cb -0.08 -1.00 0.06 0.00 -1.71 0.00 0.00 66.02 63.29 2d9i s SER 5 CO -0.13 0.02 0.54 -0.94 1.20 0.00 0.00 173.24 173.93 2d9i s SER 6 N 0.86 -0.46 0.46 5.45 1.04 -1.26 -5.04 113.70 114.75 2d9i s SER 6 Ca -0.10 0.04 -0.24 0.00 0.48 0.00 0.00 55.95 56.12 2d9i s SER 6 Cb -0.15 0.54 -0.07 0.00 0.10 0.00 0.00 66.02 66.43 2d9i s SER 6 CO 0.01 -0.84 1.35 -0.83 0.98 0.00 0.00 173.24 173.90 2d9i s GLY 7 N -2.41 2.90 -0.35 7.32 0.00 -1.26 -4.98 107.32 108.54 2d9i s GLY 7 Ca -0.01 1.31 -0.15 0.00 0.00 0.00 0.00 44.72 45.87 2d9i s GLY 7 CO -0.08 1.88 0.35 1.20 0.00 0.00 0.00 173.10 176.46 2d9i s GLN 8 N -2.52 3.53 0.35 2.90 -1.52 -1.26 -4.95 119.66 116.19 2d9i s GLN 8 Ca 0.63 -0.46 0.06 0.00 -1.95 0.00 0.00 55.36 53.64 2d9i s GLN 8 Cb -0.40 -3.81 0.65 0.00 -0.22 0.00 0.00 33.01 29.23 2d9i s GLN 8 CO 0.50 -0.53 1.87 -0.91 -0.25 0.00 0.00 175.29 175.97 2d9i h ASN 9 N 8.48 0.39 -3.59 5.90 4.21 -1.93 -3.40 115.58 125.64 2d9i h ASN 9 Ca -0.30 -0.08 -0.64 0.00 1.21 0.00 0.00 56.30 56.49 2d9i h ASN 9 Cb 1.14 -0.10 -0.15 0.00 -1.12 0.00 0.00 38.32 38.10 2d9i h ASN 9 CO 0.69 0.51 0.04 0.54 -1.29 0.00 0.00 177.43 177.93 2d9i s VAL 10 N -4.82 4.95 -0.28 2.81 0.11 -1.26 -2.74 120.40 119.17 2d9i s VAL 10 Ca -0.07 0.39 -0.11 0.00 -2.93 0.00 0.00 61.98 59.26 2d9i s VAL 10 Cb 0.15 -4.04 -0.05 0.00 -1.53 0.00 0.00 36.38 30.91 2d9i s VAL 10 CO 0.76 -0.31 0.20 -0.22 -3.33 0.00 0.00 175.10 172.20 2d9i s LEU 11 N 2.56 4.02 -0.60 2.54 2.96 0.83 -4.94 118.68 126.05 2d9i s LEU 11 Ca 0.21 0.00 -0.24 0.00 -0.22 0.00 0.00 54.13 53.88 2d9i s LEU 11 Cb -0.15 -2.13 0.05 0.00 0.50 0.00 0.00 46.19 44.46 2d9i s LEU 11 CO 0.15 -0.05 0.99 1.51 -1.32 0.00 0.00 176.35 177.62 2d9i s ASP 12 N 1.74 6.29 0.09 3.68 -4.77 -1.26 -1.60 116.67 120.84 2d9i s ASP 12 Ca 0.07 -0.50 0.11 0.00 -3.30 0.00 0.00 52.55 48.93 2d9i s ASP 12 Cb -0.16 -2.45 -0.17 0.00 -1.09 0.00 0.00 42.92 39.05 2d9i s ASP 12 CO 0.11 -1.35 1.10 -0.07 0.70 0.00 0.00 175.17 175.65 2d9i h LEU 13 N 11.31 0.00 -9.38 2.11 3.38 -0.80 -3.46 115.31 118.47 2d9i h LEU 13 Ca -0.27 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.08 2d9i h LEU 13 Cb 1.07 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.86 2d9i h LEU 13 CO 1.14 0.89 0.84 1.57 0.09 0.00 0.00 178.44 182.96 2d9i n HIS 14 N -3.21 2.17 0.00 1.13 -0.00 -0.18 -2.01 115.22 113.12 2d9i n HIS 14 Ca -0.05 0.26 0.00 0.00 0.46 0.00 0.00 57.72 58.39 2d9i n HIS 14 Cb 0.93 -2.54 0.00 0.00 -0.12 0.00 0.00 29.99 28.26 2d9i n HIS 14 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2d9i n GLY 15 N 3.63 2.06 3.93 1.57 0.00 -1.26 -5.05 105.19 110.06 2d9i n GLY 15 Ca 0.19 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 2d9i n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d9i s LEU 16 N 0.00 2.75 0.15 0.99 1.43 -0.85 -5.06 118.68 118.09 2d9i s LEU 16 Ca 0.00 0.33 -0.18 0.00 -1.03 0.00 0.00 54.13 53.24 2d9i s LEU 16 Cb 0.00 -2.70 -0.07 0.00 0.03 0.00 0.00 46.19 43.45 2d9i s LEU 16 CO 0.00 -2.06 0.62 -2.28 0.23 0.00 0.00 176.35 172.86 2d9i s HIS 17 N -3.50 3.70 0.14 0.29 5.65 -1.26 -4.79 115.29 115.52 2d9i s HIS 17 Ca 0.66 1.26 -0.18 0.00 0.25 0.00 0.00 55.06 57.05 2d9i s HIS 17 Cb -0.08 -2.51 0.05 0.00 -1.18 0.00 0.00 32.58 28.87 2d9i s HIS 17 CO 0.48 0.46 1.10 0.28 -0.65 0.00 0.00 174.74 176.41 2d9i n VAL 18 N 1.11 -0.43 -0.23 0.89 0.31 -1.26 0.17 118.33 118.89 2d9i n VAL 18 Ca -0.06 1.70 0.01 0.00 -0.01 0.00 0.00 64.34 65.98 2d9i n VAL 18 Cb 0.51 -2.17 0.12 0.00 -0.91 0.00 0.00 33.84 31.39 2d9i n VAL 18 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2d9i h ASP 19 N 0.00 0.38 0.73 4.52 5.19 -1.96 -0.89 116.42 124.38 2d9i h ASP 19 Ca 0.18 0.06 -0.04 0.00 -0.62 0.00 0.00 57.03 56.62 2d9i h ASP 19 Cb 0.36 0.01 0.01 0.00 0.18 0.00 0.00 39.33 39.88 2d9i h ASP 19 CO -0.69 0.22 -0.35 -0.33 -3.12 0.00 0.00 179.24 174.97 2d9i h GLU 20 N 0.53 -0.94 -0.72 3.56 5.08 0.14 -2.24 114.58 120.00 2d9i h GLU 20 Ca 0.33 0.06 0.14 0.00 -1.00 0.00 0.00 59.36 58.89 2d9i h GLU 20 Cb 0.36 0.21 -0.14 0.00 0.50 0.00 0.00 28.75 29.69 2d9i h GLU 20 CO -0.28 -0.63 -0.23 0.00 -1.00 0.00 0.00 179.01 176.88 2d9i h ALA 21 N -1.44 0.34 0.24 3.43 0.00 -0.47 0.09 119.26 121.45 2d9i h ALA 21 Ca -0.10 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2d9i h ALA 21 Cb 0.75 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 2d9i h ALA 21 CO 0.16 -0.49 -0.52 -0.07 0.00 0.00 0.00 179.25 178.33 2d9i h LEU 22 N -0.04 -1.53 -0.69 0.00 3.38 -1.15 0.39 115.31 115.66 2d9i h LEU 22 Ca 0.33 0.15 0.14 0.00 0.09 0.00 0.00 57.88 58.59 2d9i h LEU 22 Cb 0.55 0.55 -0.10 0.00 0.09 0.00 0.00 40.66 41.75 2d9i h LEU 22 CO -0.76 -0.59 0.16 -0.33 0.09 0.00 0.00 178.44 177.01 2d9i h GLU 23 N -0.83 0.26 -0.73 1.13 4.39 -0.66 0.48 114.58 118.62 2d9i h GLU 23 Ca -0.02 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 2d9i h GLU 23 Cb 0.80 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.35 2d9i h GLU 23 CO -0.22 0.18 0.27 0.45 -1.16 0.00 0.00 179.01 178.52 2d9i h HIS 24 N 0.27 1.13 -0.68 4.33 3.86 -0.38 0.32 115.15 124.00 2d9i h HIS 24 Ca 0.38 -0.09 0.06 0.00 -1.16 0.00 0.00 60.37 59.56 2d9i h HIS 24 Cb 0.62 -0.34 -0.04 0.00 1.06 0.00 0.00 27.41 28.72 2d9i h HIS 24 CO -0.26 0.88 0.45 1.25 0.86 0.00 0.00 177.93 181.11 2d9i h LEU 25 N 1.08 0.63 0.07 2.43 5.85 0.20 -0.09 115.31 125.47 2d9i h LEU 25 Ca 0.24 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.83 2d9i h LEU 25 Cb 0.25 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2d9i h LEU 25 CO -0.02 0.41 -0.67 0.24 -0.34 0.00 0.00 178.44 178.07 2d9i h MET 26 N 0.72 0.15 -0.67 1.25 2.86 -0.91 -1.91 114.93 116.42 2d9i h MET 26 Ca 0.29 -0.25 0.13 0.00 -2.06 0.00 0.00 59.70 57.81 2d9i h MET 26 Cb 0.23 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 2d9i h MET 26 CO -0.09 1.12 0.45 0.00 1.06 0.00 0.00 176.91 179.45 2d9i h ARG 27 N -0.66 0.38 0.04 1.72 2.47 -0.69 -1.17 114.38 116.46 2d9i h ARG 27 Ca -0.14 -0.02 -0.28 0.00 -1.26 0.00 0.00 59.98 58.27 2d9i h ARG 27 Cb 1.39 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 29.59 2d9i h ARG 27 CO 0.04 0.25 -1.55 -0.39 0.56 0.00 0.00 179.97 178.88 2d9i h VAL 28 N 0.39 1.07 0.00 2.04 -1.51 -1.12 -3.07 116.25 114.05 2d9i h VAL 28 Ca 0.32 -2.84 0.00 0.00 -1.23 0.00 0.00 66.70 62.95 2d9i h VAL 28 Cb 0.71 2.59 0.00 0.00 -2.13 0.00 0.00 31.29 32.46 2d9i h VAL 28 CO -0.09 0.69 0.00 -0.07 -1.23 0.00 0.00 177.57 176.87 2d9i h LEU 29 N 0.02 0.00 0.02 4.19 3.38 -0.38 0.68 115.31 123.22 2d9i h LEU 29 Ca -0.23 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.36 2d9i h LEU 29 Cb 1.97 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.66 2d9i h LEU 29 CO 0.11 0.00 -2.14 -1.84 0.09 0.00 0.00 178.44 174.65 2d9i n GLU 30 N -2.97 0.63 -0.04 1.13 0.28 -0.85 -4.10 120.64 114.72 2d9i n GLU 30 Ca -0.02 0.30 -0.13 0.00 -0.16 0.00 0.00 57.16 57.15 2d9i n GLU 30 Cb 0.13 -1.60 -0.11 0.00 1.43 0.00 0.00 31.44 31.30 2d9i n GLU 30 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 2d9i h LYS 31 N -0.53 0.00 -1.04 3.44 1.63 -1.41 -1.78 116.57 116.88 2d9i h LYS 31 Ca -0.54 -0.00 0.27 0.00 -0.85 0.00 0.00 60.65 59.53 2d9i h LYS 31 Cb 1.71 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 33.24 2d9i h LYS 31 CO -0.19 0.69 0.66 0.87 -3.45 0.00 0.00 179.45 178.03 2d9i h LYS 32 N -0.69 0.40 0.00 1.90 1.79 0.13 0.62 116.57 120.72 2d9i h LYS 32 Ca -0.00 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 2d9i h LYS 32 Cb 0.69 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.25 2d9i h LYS 32 CO 0.00 0.27 -0.66 0.00 -1.08 0.00 0.00 179.45 177.98 2d9i h THR 33 N 0.41 0.13 0.28 -0.16 1.03 -1.70 -3.10 112.91 109.80 2d9i h THR 33 Ca 0.61 -1.22 -0.01 0.00 -0.01 0.00 0.00 66.41 65.78 2d9i h THR 33 Cb 1.50 1.81 0.00 0.00 -1.07 0.00 0.00 68.15 70.39 2d9i h THR 33 CO -0.33 0.07 -0.13 -0.33 -0.01 0.00 0.00 175.52 174.79 2d9i h GLU 34 N 0.00 -0.36 0.00 0.00 4.39 0.12 -2.77 114.58 115.96 2d9i h GLU 34 Ca -0.02 0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2d9i h GLU 34 Cb 1.10 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 2d9i h GLU 34 CO 0.01 -0.08 -0.30 0.93 -1.16 0.00 0.00 179.01 178.42 2d9i h GLU 35 N -0.63 0.00 -0.74 2.33 5.08 -1.55 -1.50 114.58 117.58 2d9i h GLU 35 Ca -0.04 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2d9i h GLU 35 Cb 0.45 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2d9i h GLU 35 CO 0.06 0.30 0.35 0.35 -1.00 0.00 0.00 179.01 179.07 2d9i h PHE 36 N 0.00 1.06 0.08 4.33 3.57 -1.45 0.13 116.94 124.66 2d9i h PHE 36 Ca -0.00 -0.05 -0.31 0.00 3.53 0.00 0.00 57.97 61.14 2d9i h PHE 36 Cb 0.89 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 2d9i h PHE 36 CO 0.00 0.78 -1.69 0.87 -2.23 0.00 0.00 178.31 176.04 2d9i h LYS 37 N 1.06 0.17 0.45 1.11 1.57 -1.42 -2.77 116.57 116.74 2d9i h LYS 37 Ca 0.26 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2d9i h LYS 37 Cb 0.12 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2d9i h LYS 37 CO -0.03 1.14 -0.36 1.96 -0.57 0.00 0.00 179.45 181.59 2d9i h GLN 38 N -0.34 -0.77 0.00 3.15 1.08 -1.27 -3.40 115.11 113.56 2d9i h GLN 38 Ca -0.39 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.87 2d9i h GLN 38 Cb 1.75 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 29.36 2d9i h GLN 38 CO -0.02 -0.52 -0.17 -1.71 -0.95 0.00 0.00 178.83 175.46 2d9i n ASN 39 N -5.48 0.37 0.00 1.46 5.15 -0.06 -5.07 115.26 111.63 2d9i n ASN 39 Ca -0.11 0.13 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 2d9i n ASN 39 Cb 0.37 -0.55 0.00 0.00 -0.53 0.00 0.00 39.78 39.07 2d9i n ASN 39 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2d9i n GLY 40 N 1.55 3.89 0.00 8.20 0.00 -0.64 -5.00 105.19 113.18 2d9i n GLY 40 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2d9i n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d9i n GLY 41 N -0.04 2.26 3.75 -0.02 0.00 -1.14 -4.81 105.19 105.18 2d9i n GLY 41 Ca 0.00 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 2d9i n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d9i s LYS 42 N 0.49 4.59 0.54 1.61 1.02 -1.26 -4.93 119.74 121.80 2d9i s LYS 42 Ca 0.00 1.83 0.34 0.00 0.02 0.00 0.00 55.97 58.15 2d9i s LYS 42 Cb 0.00 -3.20 1.40 0.00 -0.52 0.00 0.00 37.83 35.50 2d9i s LYS 42 CO 0.00 0.12 1.99 -1.00 -0.92 0.00 0.00 175.35 175.54 2d9i h PRO 43 N 4.23 0.00 -5.96 -1.68 0.13 -1.97 -3.45 132.00 123.30 2d9i h PRO 43 Ca -0.46 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.12 2d9i h PRO 43 Cb 1.21 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 2d9i h PRO 43 CO 0.69 0.00 -0.48 1.52 -0.23 0.00 0.00 178.00 179.50 2d9i s TYR 44 N -3.67 2.63 -0.03 1.56 -0.85 -1.26 0.35 117.35 116.07 2d9i s TYR 44 Ca 0.01 -0.56 0.01 0.00 -0.52 0.00 0.00 57.07 56.01 2d9i s TYR 44 Cb 0.09 -1.98 0.02 0.00 0.38 0.00 0.00 41.96 40.48 2d9i s TYR 44 CO 0.53 0.14 -0.01 -1.17 -1.52 0.00 0.00 175.55 173.52 2d9i s LEU 45 N -3.94 1.24 0.16 -3.49 2.96 0.10 -4.80 118.68 110.90 2d9i s LEU 45 Ca 0.42 -0.05 -0.21 0.00 -0.22 0.00 0.00 54.13 54.08 2d9i s LEU 45 Cb 0.02 -0.27 -0.08 0.00 0.50 0.00 0.00 46.19 46.37 2d9i s LEU 45 CO 0.23 -0.08 0.67 -0.44 -1.32 0.00 0.00 176.35 175.41 2d9i s SER 46 N 0.95 7.12 -0.14 3.68 0.01 -1.11 -1.47 113.70 122.74 2d9i s SER 46 Ca -0.10 1.40 -0.05 0.00 1.31 0.00 0.00 55.95 58.51 2d9i s SER 46 Cb -0.14 -2.41 0.07 0.00 0.21 0.00 0.00 66.02 63.76 2d9i s SER 46 CO -0.01 0.16 0.28 -0.69 0.41 0.00 0.00 173.24 173.39 2d9i s VAL 47 N -1.30 -0.44 -0.38 3.43 1.01 0.05 -0.12 120.40 122.66 2d9i s VAL 47 Ca 0.36 0.24 -0.15 0.00 0.00 0.00 0.00 61.98 62.44 2d9i s VAL 47 Cb -0.19 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.71 2d9i s VAL 47 CO 0.22 0.09 0.33 -0.63 0.00 0.00 0.00 175.10 175.10 2d9i s ILE 48 N 2.44 5.21 -0.16 2.22 1.09 -0.63 0.37 121.20 131.75 2d9i s ILE 48 Ca 0.02 -0.32 -0.15 0.00 -1.10 0.00 0.00 60.65 59.10 2d9i s ILE 48 Cb -0.12 -3.87 -0.23 0.00 -1.06 0.00 0.00 42.46 37.17 2d9i s ILE 48 CO -0.09 -0.20 0.33 0.71 -0.10 0.00 0.00 174.94 175.59 2d9i h THR 49 N 5.59 0.83 -1.38 2.92 1.35 -1.88 0.30 112.91 120.64 2d9i h THR 49 Ca -0.29 -2.28 0.13 0.00 -0.55 0.00 0.00 66.41 63.43 2d9i h THR 49 Cb 1.13 2.42 -0.24 0.00 -1.73 0.00 0.00 68.15 69.73 2d9i h THR 49 CO 0.71 0.61 0.18 -0.83 -0.25 0.00 0.00 175.52 175.94 2d9i s GLY 50 N -5.15 -0.28 0.20 5.82 0.00 -1.26 -3.15 107.32 103.49 2d9i s GLY 50 Ca -0.25 2.90 -0.09 0.00 0.00 0.00 0.00 44.72 47.28 2d9i s GLY 50 CO 0.69 3.00 1.72 3.21 0.00 0.00 0.00 173.10 181.72 2d9i h ARG 51 N 7.23 1.12 0.00 2.90 -0.00 -1.84 -3.33 114.38 120.45 2d9i h ARG 51 Ca -0.20 -0.26 0.00 0.00 -0.50 0.00 0.00 59.98 59.02 2d9i h ARG 51 Cb 1.14 -0.15 0.00 0.00 0.00 0.00 0.00 29.97 30.96 2d9i h ARG 51 CO 0.12 0.98 0.00 0.41 0.00 0.00 0.00 179.97 181.47 2d9i n GLY 52 N -0.68 2.92 3.64 0.04 0.00 -1.26 -4.40 105.19 105.45 2d9i n GLY 52 Ca 0.05 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 2d9i n GLY 52 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2d9i s ASN 53 N 0.00 3.54 0.12 1.61 0.01 -1.26 -5.06 114.94 113.91 2d9i s ASN 53 Ca 0.00 -1.60 -0.16 0.00 -0.71 0.00 0.00 52.86 50.39 2d9i s ASN 53 Cb 0.00 0.35 -0.02 0.00 0.41 0.00 0.00 41.25 41.99 2d9i s ASN 53 CO 0.00 -0.81 1.62 -0.74 -1.51 0.00 0.00 177.10 175.66 2d9i h HIS 54 N 1.60 0.65 -4.17 2.20 -0.00 -2.00 -3.44 115.15 109.99 2d9i h HIS 54 Ca -0.41 -0.08 -0.54 0.00 -0.00 0.00 0.00 60.37 59.34 2d9i h HIS 54 Cb 1.29 -0.18 0.17 0.00 -0.00 0.00 0.00 27.41 28.68 2d9i h HIS 54 CO 1.34 0.64 0.41 -1.54 -0.00 0.00 0.00 177.93 178.79 2d9i s SER 55 N -5.99 4.09 -0.09 3.26 1.04 -1.26 -4.96 113.70 109.79 2d9i s SER 55 Ca -0.13 2.45 0.06 0.00 0.48 0.00 0.00 55.95 58.81 2d9i s SER 55 Cb 0.10 -2.60 -0.24 0.00 0.10 0.00 0.00 66.02 63.38 2d9i s SER 55 CO 0.77 -2.34 0.47 0.00 0.98 0.00 0.00 173.24 173.12 2d9i n GLN 56 N -2.67 0.68 -1.24 4.02 10.64 -1.26 -4.93 117.38 122.61 2d9i n GLN 56 Ca 0.14 0.25 -0.38 0.00 -1.83 0.00 0.00 57.00 55.19 2d9i n GLN 56 Cb 0.50 -1.73 0.03 0.00 -0.86 0.00 0.00 30.24 28.18 2d9i n GLN 56 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2d9i n GLY 57 N 1.75 -2.81 2.85 2.61 0.00 -1.26 -4.56 105.19 103.77 2d9i n GLY 57 Ca -0.24 -0.33 -0.52 0.00 0.00 0.00 0.00 46.02 44.93 2d9i n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d9i n GLY 58 N 2.36 0.05 0.05 -0.02 0.00 -1.26 -4.86 105.19 101.51 2d9i n GLY 58 Ca 0.07 0.84 -0.02 0.00 0.00 0.00 0.00 46.02 46.91 2d9i n GLY 58 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2d9i h VAL 59 N 4.58 0.00 -4.26 1.61 2.07 -1.92 -3.48 116.25 114.85 2d9i h VAL 59 Ca -0.25 -0.78 -0.56 0.00 0.82 0.00 0.00 66.70 65.93 2d9i h VAL 59 Cb 1.11 0.00 -0.28 0.00 -1.52 0.00 0.00 31.29 30.60 2d9i h VAL 59 CO 0.81 0.00 -0.84 0.00 0.02 0.00 0.00 177.57 177.57 2d9i s ALA 60 N -2.73 1.59 -1.68 1.67 0.00 -1.26 -5.02 121.76 114.32 2d9i s ALA 60 Ca -0.07 -0.90 0.19 0.00 0.00 0.00 0.00 51.96 51.18 2d9i s ALA 60 Cb 0.01 -0.35 0.54 0.00 0.00 0.00 0.00 23.12 23.32 2d9i s ALA 60 CO 0.10 0.37 1.45 -2.13 0.00 0.00 0.00 175.76 175.55 2d9i n ARG 61 N 2.26 2.75 -0.07 0.00 0.63 -1.26 -4.49 116.66 116.48 2d9i n ARG 61 Ca -0.16 -2.47 -0.11 0.00 -0.92 0.00 0.00 57.85 54.19 2d9i n ARG 61 Cb 0.54 -1.48 -0.08 0.00 0.45 0.00 0.00 32.46 31.88 2d9i n ARG 61 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2d9i h ILE 62 N 3.64 0.97 -0.84 5.15 2.04 -1.94 -3.35 117.51 123.18 2d9i h ILE 62 Ca 0.00 -1.82 0.19 0.00 1.00 0.00 0.00 64.86 64.23 2d9i h ILE 62 Cb 0.91 1.92 -0.15 0.00 -0.74 0.00 0.00 36.82 38.76 2d9i h ILE 62 CO 0.00 0.33 -0.08 0.50 0.00 0.00 0.00 178.15 178.90 2d9i h LYS 63 N -1.00 0.04 -0.32 2.37 3.64 -1.89 -0.54 116.57 118.86 2d9i h LYS 63 Ca -0.07 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.37 2d9i h LYS 63 Cb 0.75 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.48 2d9i h LYS 63 CO -0.04 0.03 -0.43 -1.35 -2.27 0.00 0.00 179.45 175.39 2d9i h PRO 64 N 0.04 -0.36 0.46 1.90 0.11 -1.83 0.17 132.00 132.49 2d9i h PRO 64 Ca 0.45 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.56 2d9i h PRO 64 Cb 0.79 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2d9i h PRO 64 CO -0.81 -0.24 -0.22 0.00 -0.21 0.00 0.00 178.00 176.52 2d9i h ALA 65 N 0.33 -0.62 -0.78 -0.75 0.00 -1.33 -2.34 119.26 113.77 2d9i h ALA 65 Ca 0.12 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 55.04 2d9i h ALA 65 Cb 0.59 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.49 2d9i h ALA 65 CO -0.52 -0.78 0.08 0.28 0.00 0.00 0.00 179.25 178.31 2d9i h VAL 66 N -0.77 0.35 -0.43 0.00 2.07 -0.88 0.54 116.25 117.14 2d9i h VAL 66 Ca -0.06 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2d9i h VAL 66 Cb 0.55 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 2d9i h VAL 66 CO 0.10 0.03 0.14 0.40 0.02 0.00 0.00 177.57 178.26 2d9i h ILE 67 N 0.15 1.17 -0.14 4.57 2.04 -0.57 0.13 117.51 124.86 2d9i h ILE 67 Ca 0.45 -0.58 -0.18 0.00 1.00 0.00 0.00 64.86 65.55 2d9i h ILE 67 Cb 0.81 0.70 0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2d9i h ILE 67 CO -0.65 0.22 -0.61 0.50 0.00 0.00 0.00 178.15 177.62 2d9i h LYS 68 N 0.61 0.66 -0.39 2.37 3.64 0.45 -2.67 116.57 121.23 2d9i h LYS 68 Ca 0.15 -0.52 -0.13 0.00 -1.27 0.00 0.00 60.65 58.88 2d9i h LYS 68 Cb 0.17 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2d9i h LYS 68 CO -0.01 1.14 -0.25 -0.92 -2.27 0.00 0.00 179.45 177.14 2d9i h TYR 69 N 0.34 1.01 0.85 1.91 5.03 -0.19 -2.01 116.97 123.91 2d9i h TYR 69 Ca -0.04 -0.27 -0.04 0.00 2.58 0.00 0.00 58.73 60.96 2d9i h TYR 69 Cb 1.24 -0.22 0.01 0.00 1.55 0.00 0.00 36.73 39.30 2d9i h TYR 69 CO 0.10 1.06 -0.43 -0.07 -1.32 0.00 0.00 178.16 177.49 2d9i h LEU 70 N 0.67 -1.04 -0.94 2.82 3.38 -0.79 -2.27 115.31 117.13 2d9i h LEU 70 Ca 0.08 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.19 2d9i h LEU 70 Cb 0.83 0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.78 2d9i h LEU 70 CO 0.07 -0.72 0.58 0.40 0.09 0.00 0.00 178.44 178.86 2d9i h ILE 71 N -1.18 0.97 -0.29 1.22 2.04 -1.54 0.24 117.51 118.97 2d9i h ILE 71 Ca -0.12 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.47 2d9i h ILE 71 Cb 0.91 -0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 2d9i h ILE 71 CO 0.18 0.18 -0.11 -1.28 0.00 0.00 0.00 178.15 177.11 2d9i h SER 72 N 0.98 -0.39 -0.15 1.72 0.87 -1.16 0.16 113.55 115.59 2d9i h SER 72 Ca 0.44 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 61.11 2d9i h SER 72 Cb 0.35 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2d9i h SER 72 CO -0.23 -0.14 0.00 1.41 -0.53 0.00 0.00 176.83 177.34 2d9i n HIS 73 N -5.29 0.31 -3.77 2.24 8.25 -0.84 -4.88 115.22 111.24 2d9i n HIS 73 Ca 0.00 -0.13 -0.24 0.00 -0.26 0.00 0.00 57.72 57.09 2d9i n HIS 73 Cb 0.20 -0.07 0.03 0.00 1.12 0.00 0.00 29.99 31.27 2d9i n HIS 73 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2d9i n SER 74 N 0.04 -2.38 -4.75 0.41 2.88 0.57 -4.94 113.62 105.45 2d9i n SER 74 Ca 0.06 -0.81 -0.40 0.00 -1.33 0.00 0.00 58.87 56.40 2d9i n SER 74 Cb 0.26 -4.00 -0.05 0.00 -0.75 0.00 0.00 64.21 59.67 2d9i n SER 74 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2d9i s PHE 75 N -3.56 3.71 -0.18 0.66 0.08 0.76 -4.99 117.98 114.46 2d9i s PHE 75 Ca 0.22 1.38 -0.24 0.00 0.12 0.00 0.00 56.93 58.41 2d9i s PHE 75 Cb -0.11 -2.76 -0.02 0.00 -0.57 0.00 0.00 43.02 39.56 2d9i s PHE 75 CO 0.82 0.28 0.79 0.50 -0.10 0.00 0.00 175.22 177.51 2d9i s ARG 76 N -0.01 4.27 0.04 0.44 3.52 -1.26 -4.56 118.95 121.40 2d9i s ARG 76 Ca 0.36 0.94 -0.13 0.00 -0.13 0.00 0.00 55.73 56.77 2d9i s ARG 76 Cb -0.20 -3.58 0.02 0.00 -1.56 0.00 0.00 34.95 29.63 2d9i s ARG 76 CO 0.21 -0.32 0.28 -0.59 -0.81 0.00 0.00 175.30 174.07 2d9i s PHE 77 N 2.15 -0.08 -0.02 5.12 -0.71 -1.26 -0.50 117.98 122.69 2d9i s PHE 77 Ca 0.36 -0.07 0.01 0.00 -1.04 0.00 0.00 56.93 56.19 2d9i s PHE 77 Cb -0.16 0.07 0.01 0.00 -1.21 0.00 0.00 43.02 41.73 2d9i s PHE 77 CO 0.12 -0.49 -0.02 -1.12 -1.34 0.00 0.00 175.22 172.36 2d9i s SER 78 N -2.07 0.46 -0.56 1.98 0.01 -0.75 -5.02 113.70 107.76 2d9i s SER 78 Ca -0.05 -0.06 -0.24 0.00 1.31 0.00 0.00 55.95 56.92 2d9i s SER 78 Cb -0.01 -0.14 0.05 0.00 0.21 0.00 0.00 66.02 66.13 2d9i s SER 78 CO -0.03 -0.01 0.93 -0.70 0.41 0.00 0.00 173.24 173.83 2d9i s GLU 79 N 0.38 3.28 -0.01 12.44 -6.30 -1.26 -3.27 118.70 123.96 2d9i s GLU 79 Ca -0.04 -0.39 0.20 0.00 -2.50 0.00 0.00 54.97 52.25 2d9i s GLU 79 Cb -0.07 -4.08 -0.23 0.00 0.00 0.00 0.00 34.13 29.75 2d9i s GLU 79 CO -0.01 -1.52 0.55 0.44 0.02 0.00 0.00 175.26 174.74 2d9i n ILE 80 N 6.12 0.57 -4.02 -3.70 -5.35 -1.26 -4.97 119.36 106.75 2d9i n ILE 80 Ca 0.00 -0.61 -0.09 0.00 -0.27 0.00 0.00 62.75 61.79 2d9i n ILE 80 Cb 0.47 -0.27 -0.11 0.00 -1.74 0.00 0.00 39.64 38.00 2d9i n ILE 80 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2d9i s LYS 81 N -3.19 0.42 0.00 6.28 -0.14 -1.26 -5.02 119.74 116.83 2d9i s LYS 81 Ca -0.06 -0.81 0.10 0.00 -1.36 0.00 0.00 55.97 53.83 2d9i s LYS 81 Cb 0.11 0.11 0.61 0.00 -1.68 0.00 0.00 37.83 36.98 2d9i s LYS 81 CO 0.86 -0.06 1.05 -0.35 -0.76 0.00 0.00 175.35 176.08 2d9i n PRO 82 N 1.12 0.49 -0.99 -1.68 -0.04 -1.26 -2.71 135.00 129.92 2d9i n PRO 82 Ca -0.21 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.25 2d9i n PRO 82 Cb 0.57 -1.32 -0.01 0.00 -0.04 0.00 0.00 33.50 32.69 2d9i n PRO 82 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2d9i n GLY 83 N -0.02 0.76 3.19 0.55 0.00 -1.25 -4.69 105.19 103.73 2d9i n GLY 83 Ca 0.08 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 2d9i n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d9i s LEU 85 N 0.03 1.43 -0.35 0.00 1.43 0.16 -4.02 118.68 117.36 2d9i s LEU 85 Ca -0.01 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.58 2d9i s LEU 85 Cb -0.02 -1.00 0.01 0.00 0.03 0.00 0.00 46.19 45.20 2d9i s LEU 85 CO 0.01 -0.08 0.21 -0.75 0.23 0.00 0.00 176.35 175.96 2d9i s LYS 86 N 1.57 3.15 -0.23 1.70 2.20 -1.20 -0.77 119.74 126.16 2d9i s LYS 86 Ca 0.04 -0.87 -0.06 0.00 -0.36 0.00 0.00 55.97 54.73 2d9i s LYS 86 Cb -0.13 -3.73 -0.02 0.00 -1.51 0.00 0.00 37.83 32.44 2d9i s LYS 86 CO -0.09 -0.56 0.02 0.08 -0.36 0.00 0.00 175.35 174.44 2d9i s VAL 87 N 1.63 3.96 -0.32 4.02 1.01 -0.54 -1.80 120.40 128.35 2d9i s VAL 87 Ca 0.04 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 2d9i s VAL 87 Cb -0.18 -2.82 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 2d9i s VAL 87 CO 0.08 0.39 1.42 -0.04 0.00 0.00 0.00 175.10 176.95 2d9i s MET 88 N 1.39 3.75 -0.33 2.72 1.00 0.34 -0.73 119.30 127.46 2d9i s MET 88 Ca 0.05 1.24 -0.28 0.00 0.00 0.00 0.00 55.69 56.70 2d9i s MET 88 Cb -0.15 -3.97 -0.05 0.00 0.00 0.00 0.00 34.83 30.67 2d9i s MET 88 CO 0.01 -1.33 2.15 -0.51 0.00 0.00 0.00 175.02 175.34 2d9i s LEU 89 N 5.00 3.43 0.20 -0.03 1.43 0.15 -4.52 118.68 124.34 2d9i s LEU 89 Ca 0.62 1.49 -0.32 0.00 -1.03 0.00 0.00 54.13 54.89 2d9i s LEU 89 Cb -0.18 -3.23 -0.12 0.00 0.03 0.00 0.00 46.19 42.69 2d9i s LEU 89 CO 0.28 -2.14 1.68 0.29 0.23 0.00 0.00 176.35 176.69 2d9i n LYS 90 N 8.78 2.63 -0.06 1.70 5.02 -1.26 -4.85 118.16 130.12 2d9i n LYS 90 Ca 0.29 0.95 -0.12 0.00 -2.02 0.00 0.00 58.31 57.41 2d9i n LYS 90 Cb 0.48 -2.77 -0.11 0.00 -0.02 0.00 0.00 35.03 32.60 2d9i n LYS 90 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2d9i h SER 91 N 6.46 -0.01 0.00 4.39 0.02 -1.95 -3.50 113.55 118.96 2d9i h SER 91 Ca -0.44 -0.82 0.00 0.00 -0.84 0.00 0.00 61.79 59.70 2d9i h SER 91 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2d9i h SER 91 CO 0.93 0.87 0.00 0.61 -1.14 0.00 0.00 176.83 178.10 2d9i n GLY 92 N 1.47 3.44 3.55 -3.77 0.00 -1.26 -5.09 105.19 103.53 2d9i n GLY 92 Ca -0.09 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 2d9i n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d9i s PRO 93 N 2.40 2.64 0.50 1.61 0.04 -1.26 -4.97 135.00 135.96 2d9i s PRO 93 Ca 0.00 0.63 0.07 0.00 0.04 0.00 0.00 61.00 61.74 2d9i s PRO 93 Cb 0.00 -4.39 0.02 0.00 0.04 0.00 0.00 34.50 30.18 2d9i s PRO 93 CO 0.00 -2.72 0.46 -1.54 0.04 0.00 0.00 177.00 173.24 2d9i s SER 94 N 8.08 4.87 -0.13 6.66 1.04 -1.26 -5.08 113.70 127.88 2d9i s SER 94 Ca 0.68 -0.98 -0.11 0.00 0.48 0.00 0.00 55.95 56.02 2d9i s SER 94 Cb -0.13 0.00 -0.08 0.00 0.10 0.00 0.00 66.02 65.91 2d9i s SER 94 CO 0.21 -0.96 0.10 -1.28 0.98 0.00 0.00 173.24 172.29 2d9i h SER 95 N 0.77 0.00 0.00 7.02 0.87 -2.04 -3.55 113.55 116.62 2d9i h SER 95 Ca -0.37 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 59.95 2d9i h SER 95 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2d9i h SER 95 CO 0.55 0.80 0.00 0.61 -0.53 0.00 0.00 176.83 178.25