#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9i n SER 2 N 0.00 -0.02 -3.86 1.61 2.88 -1.26 -2.41 113.62 110.56 2d9i n SER 2 Ca 0.00 0.66 -0.30 0.00 -1.33 0.00 0.00 58.87 57.90 2d9i n SER 2 Cb 0.00 -1.34 0.02 0.00 -0.75 0.00 0.00 64.21 62.13 2d9i n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2d9i n SER 3 N -1.15 -4.63 -4.04 -3.46 3.41 -1.26 -4.94 113.62 97.55 2d9i n SER 3 Ca 0.12 -0.74 -0.32 0.00 -0.26 0.00 0.00 58.87 57.68 2d9i n SER 3 Cb 0.49 -3.71 -0.15 0.00 -0.26 0.00 0.00 64.21 60.58 2d9i n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2d9i s GLY 4 N -3.21 1.85 -1.44 5.00 0.00 -1.01 -4.75 107.32 103.76 2d9i s GLY 4 Ca 0.64 -2.29 -0.09 0.00 0.00 0.00 0.00 44.72 42.98 2d9i s GLY 4 CO 0.79 0.84 0.90 1.44 0.00 0.00 0.00 173.10 177.06 2d9i n SER 5 N 4.32 -3.61 -3.78 1.64 7.64 -1.26 -4.91 113.62 113.66 2d9i n SER 5 Ca -0.02 -0.78 -0.14 0.00 1.01 0.00 0.00 58.87 58.94 2d9i n SER 5 Cb 0.42 -4.01 -0.15 0.00 -1.01 0.00 0.00 64.21 59.45 2d9i n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d9i s SER 6 N -3.69 0.01 0.00 6.43 0.01 -1.26 -4.96 113.70 110.24 2d9i s SER 6 Ca 0.43 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.80 2d9i s SER 6 Cb -0.21 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.03 2d9i s SER 6 CO 0.82 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.96 2d9i n GLY 7 N 4.03 0.69 3.37 3.44 0.00 -1.26 -4.89 105.19 110.56 2d9i n GLY 7 Ca -0.25 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 2d9i n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2d9i s GLN 8 N 0.00 2.63 0.33 1.61 -2.07 -1.26 -5.01 119.66 115.89 2d9i s GLN 8 Ca 0.00 -0.79 0.12 0.00 -1.82 0.00 0.00 55.36 52.87 2d9i s GLN 8 Cb 0.00 -2.31 1.00 0.00 -1.09 0.00 0.00 33.01 30.61 2d9i s GLN 8 CO 0.00 0.46 1.69 -2.95 -1.32 0.00 0.00 175.29 173.17 2d9i h ASN 9 N 5.85 0.57 -3.61 12.60 7.08 -1.97 -3.34 115.58 132.76 2d9i h ASN 9 Ca -0.37 0.17 -0.66 0.00 -3.08 0.00 0.00 56.30 52.36 2d9i h ASN 9 Cb 1.17 0.10 -0.16 0.00 -2.08 0.00 0.00 38.32 37.34 2d9i h ASN 9 CO 0.50 -0.04 -0.14 0.54 -2.08 0.00 0.00 177.43 176.21 2d9i s VAL 10 N -5.72 5.06 -0.24 6.14 0.11 -1.26 -2.24 120.40 122.26 2d9i s VAL 10 Ca -0.10 0.14 -0.10 0.00 -2.93 0.00 0.00 61.98 58.98 2d9i s VAL 10 Cb 0.29 -3.94 -0.05 0.00 -1.53 0.00 0.00 36.38 31.15 2d9i s VAL 10 CO 0.79 -0.23 0.16 -0.22 -3.33 0.00 0.00 175.10 172.28 2d9i s LEU 11 N 2.26 4.07 -0.20 2.54 2.96 0.05 -4.94 118.68 125.41 2d9i s LEU 11 Ca 0.16 0.08 -0.19 0.00 -0.22 0.00 0.00 54.13 53.96 2d9i s LEU 11 Cb -0.16 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 2d9i s LEU 11 CO 0.13 0.05 0.56 1.51 -1.32 0.00 0.00 176.35 177.28 2d9i s ASP 12 N 1.16 6.59 0.00 3.68 1.47 -1.26 -1.16 116.67 127.14 2d9i s ASP 12 Ca 0.07 0.72 0.16 0.00 1.18 0.00 0.00 52.55 54.68 2d9i s ASP 12 Cb -0.14 -2.31 -0.16 0.00 -0.34 0.00 0.00 42.92 39.97 2d9i s ASP 12 CO 0.05 -0.22 0.72 0.18 0.68 0.00 0.00 175.17 176.58 2d9i n LEU 13 N 4.96 0.88 -4.73 2.11 4.77 0.75 -4.95 117.00 120.79 2d9i n LEU 13 Ca -0.03 -0.53 -0.42 0.00 -0.03 0.00 0.00 56.01 54.99 2d9i n LEU 13 Cb 0.50 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 2d9i n LEU 13 CO 0.42 0.21 1.33 1.57 -1.33 0.00 0.00 177.39 179.60 2d9i n HIS 14 N -1.23 2.78 0.00 -1.77 -0.00 -1.18 -2.32 115.22 111.50 2d9i n HIS 14 Ca 0.04 0.10 0.00 0.00 0.46 0.00 0.00 57.72 58.32 2d9i n HIS 14 Cb 0.27 -2.65 0.00 0.00 -0.12 0.00 0.00 29.99 27.49 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 3.42 3.10 3.75 1.57 0.00 -1.26 -5.05 105.19 110.72 2d9i n GLY 15 Ca 0.14 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 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 1.90 0.19 0.99 1.43 -0.98 -5.04 118.68 117.17 2d9i s LEU 16 Ca 0.00 1.07 -0.14 0.00 -1.03 0.00 0.00 54.13 54.03 2d9i s LEU 16 Cb 0.00 -3.36 -0.07 0.00 0.03 0.00 0.00 46.19 42.78 2d9i s LEU 16 CO 0.00 -2.73 0.59 -2.28 0.23 0.00 0.00 176.35 172.16 2d9i s HIS 17 N -3.15 3.55 0.04 0.29 5.65 -1.26 -4.83 115.29 115.58 2d9i s HIS 17 Ca 0.64 1.08 -0.08 0.00 0.25 0.00 0.00 55.06 56.94 2d9i s HIS 17 Cb -0.16 -2.39 -0.02 0.00 -1.18 0.00 0.00 32.58 28.83 2d9i s HIS 17 CO 0.55 0.35 0.97 0.28 -0.65 0.00 0.00 174.74 176.24 2d9i n VAL 18 N 0.49 -0.18 -0.27 0.89 0.31 -1.26 0.44 118.33 118.75 2d9i n VAL 18 Ca -0.03 1.48 0.07 0.00 -0.01 0.00 0.00 64.34 65.85 2d9i n VAL 18 Cb 0.52 -1.91 0.19 0.00 -0.91 0.00 0.00 33.84 31.73 2d9i n VAL 18 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 2d9i h ASP 19 N 0.00 -0.27 0.90 4.52 2.03 -1.96 -1.29 116.42 120.35 2d9i h ASP 19 Ca 0.04 0.20 -0.04 0.00 -0.73 0.00 0.00 57.03 56.50 2d9i h ASP 19 Cb 0.11 0.33 0.00 0.00 -0.83 0.00 0.00 39.33 38.94 2d9i h ASP 19 CO -0.25 -0.17 -0.47 -0.33 -1.03 0.00 0.00 179.24 176.98 2d9i h GLU 20 N 0.13 -1.22 -0.86 4.15 3.07 -0.40 -2.67 114.58 116.78 2d9i h GLU 20 Ca 0.45 0.08 0.20 0.00 -0.50 0.00 0.00 59.36 59.59 2d9i h GLU 20 Cb 0.82 0.28 -0.16 0.00 -0.84 0.00 0.00 28.75 28.85 2d9i h GLU 20 CO -0.67 -0.81 -0.08 0.00 -1.40 0.00 0.00 179.01 176.05 2d9i h ALA 21 N -1.32 0.80 0.15 3.43 0.00 0.42 -0.38 119.26 122.37 2d9i h ALA 21 Ca -0.12 0.31 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2d9i h ALA 21 Cb 0.98 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 2d9i h ALA 21 CO 0.17 -0.45 -0.49 -0.07 0.00 0.00 0.00 179.25 178.42 2d9i h LEU 22 N 0.04 -1.44 -0.67 0.00 3.38 -1.10 0.11 115.31 115.63 2d9i h LEU 22 Ca 0.46 0.15 0.13 0.00 0.09 0.00 0.00 57.88 58.72 2d9i h LEU 22 Cb 0.82 0.53 -0.10 0.00 0.09 0.00 0.00 40.66 42.00 2d9i h LEU 22 CO -0.83 -0.54 0.14 -0.33 0.09 0.00 0.00 178.44 176.97 2d9i h GLU 23 N -0.74 0.25 -0.07 1.13 4.39 -0.77 -1.30 114.58 117.47 2d9i h GLU 23 Ca 0.00 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.70 2d9i h GLU 23 Cb 0.74 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2d9i h GLU 23 CO -0.25 0.16 -0.01 0.45 -1.16 0.00 0.00 179.01 178.20 2d9i h HIS 24 N 0.25 -0.02 0.02 4.33 3.86 -0.57 0.57 115.15 123.60 2d9i h HIS 24 Ca 0.36 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.59 2d9i h HIS 24 Cb 0.58 0.02 -0.04 0.00 1.06 0.00 0.00 27.41 29.03 2d9i h HIS 24 CO -0.27 -0.02 -0.41 1.25 0.86 0.00 0.00 177.93 179.35 2d9i h LEU 25 N 0.01 -1.25 -0.52 2.43 5.85 0.31 0.19 115.31 122.34 2d9i h LEU 25 Ca 0.03 0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.96 2d9i h LEU 25 Cb 0.04 0.47 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 2d9i h LEU 25 CO -0.06 -0.40 0.21 0.00 -0.34 0.00 0.00 178.44 177.84 2d9i h MET 26 N -0.53 0.39 0.25 1.25 -0.00 -1.33 0.80 114.93 115.76 2d9i h MET 26 Ca 0.01 -0.02 0.01 0.00 -0.00 0.00 0.00 59.70 59.69 2d9i h MET 26 Cb 0.55 -0.09 -0.04 0.00 -0.00 0.00 0.00 31.60 32.03 2d9i h MET 26 CO -0.26 0.26 -0.49 0.00 -0.00 0.00 0.00 176.91 176.42 2d9i h ARG 27 N 0.40 -0.78 0.00 -0.10 2.47 -0.30 -1.87 114.38 114.20 2d9i h ARG 27 Ca 0.25 0.05 -0.06 0.00 -1.26 0.00 0.00 59.98 58.96 2d9i h ARG 27 Cb 0.25 0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.74 2d9i h ARG 27 CO -0.24 -0.52 -0.29 -0.39 0.56 0.00 0.00 179.97 179.09 2d9i h VAL 28 N -0.81 0.89 -0.14 2.04 -1.51 -0.37 -2.66 116.25 113.69 2d9i h VAL 28 Ca -0.02 -1.13 0.04 0.00 -1.23 0.00 0.00 66.70 64.36 2d9i h VAL 28 Cb 0.77 1.67 -0.01 0.00 -2.13 0.00 0.00 31.29 31.60 2d9i h VAL 28 CO -0.20 0.29 0.21 -0.07 -1.23 0.00 0.00 177.57 176.57 2d9i h LEU 29 N 0.00 0.00 0.00 4.19 3.38 0.15 0.18 115.31 123.20 2d9i h LEU 29 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2d9i h LEU 29 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2d9i h LEU 29 CO 0.04 0.00 -0.48 1.21 0.09 0.00 0.00 178.44 179.30 2d9i n GLU 30 N -3.57 0.30 -0.26 1.13 2.13 -1.02 -3.93 120.64 115.42 2d9i n GLU 30 Ca 0.01 0.25 0.32 0.00 0.66 0.00 0.00 57.16 58.40 2d9i n GLU 30 Cb 0.32 -1.17 0.74 0.00 0.27 0.00 0.00 31.44 31.60 2d9i n GLU 30 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2d9i h LYS 31 N -0.60 0.00 0.29 5.31 1.63 -1.50 -0.35 116.57 121.34 2d9i h LYS 31 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2d9i h LYS 31 Cb 0.48 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 2d9i h LYS 31 CO 0.00 0.00 -0.14 0.87 -3.45 0.00 0.00 179.45 176.73 2d9i h LYS 32 N 0.00 -0.37 -0.34 1.90 1.79 -0.85 -3.14 116.57 115.56 2d9i h LYS 32 Ca 0.50 0.03 0.10 0.00 -2.18 0.00 0.00 60.65 59.10 2d9i h LYS 32 Cb 2.02 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 32.74 2d9i h LYS 32 CO -0.01 -0.25 0.32 0.00 -1.08 0.00 0.00 179.45 178.43 2d9i h THR 33 N -0.52 0.54 0.16 -0.16 1.03 -1.51 -2.60 112.91 109.84 2d9i h THR 33 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.36 2d9i h THR 33 Cb 0.29 0.76 -0.02 0.00 -1.07 0.00 0.00 68.15 68.11 2d9i h THR 33 CO 0.06 0.00 -0.33 -0.33 -0.01 0.00 0.00 175.52 174.92 2d9i h GLU 34 N 0.00 -0.51 -0.82 0.00 4.39 -1.04 -1.37 114.58 115.23 2d9i h GLU 34 Ca 0.16 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.87 2d9i h GLU 34 Cb 0.79 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.52 2d9i h GLU 34 CO -0.00 -0.34 0.39 0.93 -1.16 0.00 0.00 179.01 178.83 2d9i h GLU 35 N -0.53 1.18 -0.99 2.33 4.39 -1.48 0.21 114.58 119.71 2d9i h GLU 35 Ca -0.02 -0.18 0.24 0.00 0.34 0.00 0.00 59.36 59.75 2d9i h GLU 35 Cb 0.50 -0.21 -0.08 0.00 -0.10 0.00 0.00 28.75 28.86 2d9i h GLU 35 CO -0.13 0.91 0.65 0.35 -1.16 0.00 0.00 179.01 179.63 2d9i h PHE 36 N 1.17 0.58 0.00 4.33 3.57 -1.15 0.89 116.94 126.32 2d9i h PHE 36 Ca 0.28 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.56 2d9i h PHE 36 Cb 0.12 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 2d9i h PHE 36 CO 0.01 0.10 -1.46 1.63 -2.23 0.00 0.00 178.31 176.36 2d9i n LYS 37 N -4.55 0.55 0.27 1.11 5.02 -0.55 -2.79 118.16 117.23 2d9i n LYS 37 Ca 0.22 0.47 -0.16 0.00 -2.02 0.00 0.00 58.31 56.83 2d9i n LYS 37 Cb 0.81 -1.66 -0.08 0.00 -0.02 0.00 0.00 35.03 34.08 2d9i n LYS 37 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2d9i h GLN 38 N -1.00 -0.76 0.00 1.97 1.08 -0.31 -3.39 115.11 112.70 2d9i h GLN 38 Ca -0.37 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 2d9i h GLN 38 Cb 1.25 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.86 2d9i h GLN 38 CO -0.22 -0.51 -0.14 -1.71 -0.95 0.00 0.00 178.83 175.30 2d9i n ASN 39 N -5.47 0.41 0.00 1.46 5.15 0.27 -5.05 115.26 112.03 2d9i n ASN 39 Ca -0.11 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 54.13 2d9i n ASN 39 Cb 0.36 -0.57 0.00 0.00 -0.53 0.00 0.00 39.78 39.04 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 1.66 4.08 0.00 8.20 0.00 0.12 -4.97 105.19 114.27 2d9i n GLY 40 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.17 2.12 3.73 -0.02 0.00 -1.12 -4.70 105.19 105.04 2d9i n GLY 41 Ca 0.00 -0.75 -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 0.47 4.58 0.00 1.61 1.02 -1.26 -4.91 119.74 121.25 2d9i s LYS 42 Ca 0.00 1.69 0.15 0.00 0.02 0.00 0.00 55.97 57.83 2d9i s LYS 42 Cb 0.00 -3.30 0.87 0.00 -0.52 0.00 0.00 37.83 34.88 2d9i s LYS 42 CO 0.00 0.03 1.29 -0.35 -0.92 0.00 0.00 175.35 175.41 2d9i n PRO 43 N 2.69 0.49 -4.38 -1.68 -0.04 -1.26 -4.73 135.00 126.09 2d9i n PRO 43 Ca 0.04 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.30 2d9i n PRO 43 Cb 0.47 -1.47 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 2d9i n PRO 43 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2d9i s TYR 44 N -2.00 1.77 0.05 0.54 1.13 -1.26 0.64 117.35 118.23 2d9i s TYR 44 Ca 0.22 -0.73 0.05 0.00 -1.41 0.00 0.00 57.07 55.20 2d9i s TYR 44 Cb 0.10 -0.97 -0.03 0.00 -1.10 0.00 0.00 41.96 39.96 2d9i s TYR 44 CO 0.17 0.21 -0.13 -1.17 -2.51 0.00 0.00 175.55 172.12 2d9i s LEU 45 N -3.37 2.23 -0.03 -3.49 2.96 0.74 -4.84 118.68 112.88 2d9i s LEU 45 Ca 0.27 -0.54 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 2d9i s LEU 45 Cb 0.03 -0.49 -0.03 0.00 0.50 0.00 0.00 46.19 46.20 2d9i s LEU 45 CO 0.09 -0.05 -0.01 -0.44 -1.32 0.00 0.00 176.35 174.63 2d9i s SER 46 N -1.46 5.11 -0.13 3.68 0.01 -0.95 -0.67 113.70 119.29 2d9i s SER 46 Ca -0.02 0.04 -0.04 0.00 1.31 0.00 0.00 55.95 57.24 2d9i s SER 46 Cb -0.09 -1.36 0.06 0.00 0.21 0.00 0.00 66.02 64.84 2d9i s SER 46 CO 0.02 0.32 0.14 -0.69 0.41 0.00 0.00 173.24 173.44 2d9i s VAL 47 N -1.00 -0.21 -0.44 3.43 1.01 -0.12 -0.77 120.40 122.29 2d9i s VAL 47 Ca 0.17 0.11 -0.15 0.00 0.00 0.00 0.00 61.98 62.11 2d9i s VAL 47 Cb -0.11 -0.45 0.05 0.00 0.00 0.00 0.00 36.38 35.87 2d9i s VAL 47 CO 0.07 -0.05 0.35 -0.63 0.00 0.00 0.00 175.10 174.84 2d9i s ILE 48 N 2.25 5.16 -0.16 2.22 1.01 -0.31 -0.69 121.20 130.67 2d9i s ILE 48 Ca 0.04 -0.94 -0.07 0.00 0.00 0.00 0.00 60.65 59.67 2d9i s ILE 48 Cb -0.14 -4.01 -0.23 0.00 0.01 0.00 0.00 42.46 38.09 2d9i s ILE 48 CO -0.08 -0.47 0.22 0.35 0.00 0.00 0.00 174.94 174.96 2d9i n THR 49 N 5.16 1.69 -0.05 2.92 -2.24 -1.00 -0.18 114.28 120.59 2d9i n THR 49 Ca -0.12 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 2d9i n THR 49 Cb 0.45 -1.73 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 2d9i n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2d9i n GLY 50 N 1.94 0.57 0.06 3.38 0.00 -1.20 -3.42 105.19 106.51 2d9i n GLY 50 Ca -0.35 -0.98 -0.04 0.00 0.00 0.00 0.00 46.02 44.65 2d9i n GLY 50 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2d9i h ARG 51 N 0.00 0.00 0.00 1.61 2.43 -1.83 -3.38 114.38 113.21 2d9i h ARG 51 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2d9i h ARG 51 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2d9i h ARG 51 CO 0.00 0.24 0.00 0.41 -1.51 0.00 0.00 179.97 179.11 2d9i n GLY 52 N 1.72 0.00 0.36 2.80 0.00 -1.26 -3.30 105.19 105.51 2d9i n GLY 52 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 2d9i n GLY 52 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2d9i h ASN 53 N 0.00 -0.75 0.03 1.61 -0.73 -1.92 -3.37 115.58 110.45 2d9i h ASN 53 Ca 0.00 0.03 -0.11 0.00 1.87 0.00 0.00 56.30 58.09 2d9i h ASN 53 Cb 0.00 0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.78 2d9i h ASN 53 CO 0.00 -0.46 -0.55 -0.74 -0.37 0.00 0.00 177.43 175.31 2d9i h HIS 54 N -1.04 0.12 -2.39 0.67 2.76 -1.99 -3.45 115.15 109.83 2d9i h HIS 54 Ca -0.09 -0.09 -0.54 0.00 -2.20 0.00 0.00 60.37 57.45 2d9i h HIS 54 Cb 0.68 -0.00 0.03 0.00 1.55 0.00 0.00 27.41 29.67 2d9i h HIS 54 CO 0.04 1.21 1.13 -1.13 -1.30 0.00 0.00 177.93 177.88 2d9i n SER 55 N -4.43 3.97 -4.87 3.26 3.41 -1.26 -4.97 113.62 108.74 2d9i n SER 55 Ca -0.17 0.97 -0.33 0.00 -0.26 0.00 0.00 58.87 59.07 2d9i n SER 55 Cb 0.62 -1.52 -0.05 0.00 -0.26 0.00 0.00 64.21 63.00 2d9i n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d9i s GLN 56 N 3.27 3.84 -1.73 4.33 1.03 -1.26 -4.26 119.66 124.87 2d9i s GLN 56 Ca 0.85 0.30 -0.16 0.00 0.04 0.00 0.00 55.36 56.38 2d9i s GLN 56 Cb -0.50 -2.81 0.16 0.00 0.03 0.00 0.00 33.01 29.89 2d9i s GLN 56 CO 0.40 0.42 0.41 0.41 -2.54 0.00 0.00 175.29 174.39 2d9i n GLY 57 N 0.35 -0.31 3.22 2.60 0.00 -1.26 -4.90 105.19 104.90 2d9i n GLY 57 Ca -0.03 0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 2d9i n GLY 57 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2d9i s GLY 58 N -3.52 -0.25 0.06 -0.02 0.00 -1.26 -5.16 107.32 97.16 2d9i s GLY 58 Ca 0.57 1.02 0.09 0.00 0.00 0.00 0.00 44.72 46.40 2d9i s GLY 58 CO 0.99 0.95 -0.25 0.54 0.00 0.00 0.00 173.10 175.33 2d9i s VAL 59 N 0.40 2.25 -0.12 1.40 0.11 -1.26 -4.56 120.40 118.62 2d9i s VAL 59 Ca -0.02 -1.41 -0.24 0.00 -2.93 0.00 0.00 61.98 57.39 2d9i s VAL 59 Cb -0.04 -1.90 -0.03 0.00 -1.53 0.00 0.00 36.38 32.88 2d9i s VAL 59 CO -0.02 0.33 0.73 0.00 -3.33 0.00 0.00 175.10 172.81 2d9i s ALA 60 N -0.86 3.43 -0.94 1.54 0.00 -1.21 -4.93 121.76 118.79 2d9i s ALA 60 Ca 0.12 0.03 0.07 0.00 0.00 0.00 0.00 51.96 52.18 2d9i s ALA 60 Cb -0.10 -3.05 0.33 0.00 0.00 0.00 0.00 23.12 20.31 2d9i s ALA 60 CO 0.03 -0.36 1.07 -2.13 0.00 0.00 0.00 175.76 174.37 2d9i n ARG 61 N 4.46 2.48 -0.05 0.00 0.63 -1.26 -4.01 116.66 118.90 2d9i n ARG 61 Ca 0.01 -1.30 -0.20 0.00 -0.92 0.00 0.00 57.85 55.44 2d9i n ARG 61 Cb 0.50 -1.71 -0.13 0.00 0.45 0.00 0.00 32.46 31.57 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 1.72 1.08 -0.72 5.15 2.04 -1.92 -3.37 117.51 121.50 2d9i h ILE 62 Ca 0.00 -2.30 0.15 0.00 1.00 0.00 0.00 64.86 63.71 2d9i h ILE 62 Cb 0.99 2.61 -0.10 0.00 -0.74 0.00 0.00 36.82 39.58 2d9i h ILE 62 CO 0.17 0.54 0.21 0.50 0.00 0.00 0.00 178.15 179.57 2d9i h LYS 63 N -0.68 0.31 -0.15 2.37 3.11 -1.90 -2.64 116.57 116.99 2d9i h LYS 63 Ca -0.28 -0.02 0.03 0.00 -2.81 0.00 0.00 60.65 57.57 2d9i h LYS 63 Cb 1.47 -0.07 -0.05 0.00 -1.00 0.00 0.00 32.23 32.58 2d9i h LYS 63 CO -0.06 0.20 -0.41 -1.35 -2.81 0.00 0.00 179.45 175.02 2d9i h PRO 64 N 0.32 -0.40 -0.19 1.90 0.11 -1.81 -2.24 132.00 129.69 2d9i h PRO 64 Ca 0.40 0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.57 2d9i h PRO 64 Cb 0.65 0.09 -0.07 0.00 0.11 0.00 0.00 31.00 31.78 2d9i h PRO 64 CO -0.46 -0.26 -0.51 0.00 -0.21 0.00 0.00 178.00 176.55 2d9i h ALA 65 N -0.53 -0.79 -0.96 -0.75 0.00 -1.63 -2.02 119.26 112.58 2d9i h ALA 65 Ca 0.03 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.03 2d9i h ALA 65 Cb 0.50 0.98 -0.14 0.00 0.00 0.00 0.00 17.79 19.13 2d9i h ALA 65 CO -0.36 -1.04 -0.46 0.28 0.00 0.00 0.00 179.25 177.67 2d9i n VAL 66 N -5.43 -0.57 -0.32 0.00 0.31 -1.06 0.91 118.33 112.17 2d9i n VAL 66 Ca -0.05 2.28 0.07 0.00 -0.01 0.00 0.00 64.34 66.63 2d9i n VAL 66 Cb 0.37 -2.92 0.23 0.00 -0.91 0.00 0.00 33.84 30.60 2d9i n VAL 66 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2d9i h ILE 67 N 0.00 0.82 -0.74 2.52 2.04 -0.79 0.44 117.51 121.80 2d9i h ILE 67 Ca 0.25 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 2d9i h ILE 67 Cb 0.49 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 2d9i h ILE 67 CO -0.93 0.14 0.38 0.50 0.00 0.00 0.00 178.15 178.24 2d9i h LYS 68 N 0.79 1.04 -0.18 2.37 3.64 0.12 -1.44 116.57 122.91 2d9i h LYS 68 Ca 0.47 -0.13 -0.12 0.00 -1.27 0.00 0.00 60.65 59.60 2d9i h LYS 68 Cb 0.57 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2d9i h LYS 68 CO -0.31 0.78 -0.35 -0.92 -2.27 0.00 0.00 179.45 176.38 2d9i h TYR 69 N 1.04 0.70 0.70 1.91 5.03 0.70 -2.95 116.97 124.11 2d9i h TYR 69 Ca 0.26 -0.25 -0.03 0.00 2.58 0.00 0.00 58.73 61.28 2d9i h TYR 69 Cb 0.07 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.22 2d9i h TYR 69 CO 0.01 0.99 -0.40 -0.07 -1.32 0.00 0.00 178.16 177.37 2d9i h LEU 70 N 0.21 -1.00 -0.91 2.82 3.38 -0.74 -2.68 115.31 116.39 2d9i h LEU 70 Ca 0.01 0.05 0.22 0.00 0.09 0.00 0.00 57.88 58.25 2d9i h LEU 70 Cb 0.95 0.28 -0.12 0.00 0.09 0.00 0.00 40.66 41.86 2d9i h LEU 70 CO 0.08 -0.64 0.43 0.40 0.09 0.00 0.00 178.44 178.80 2d9i h ILE 71 N -1.03 0.50 -0.04 1.22 2.04 -1.36 0.23 117.51 119.06 2d9i h ILE 71 Ca -0.09 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.65 2d9i h ILE 71 Cb 0.82 0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 2d9i h ILE 71 CO 0.11 0.08 -0.28 -1.28 0.00 0.00 0.00 178.15 176.78 2d9i h SER 72 N 0.44 -0.85 -0.12 1.72 0.87 -1.29 0.73 113.55 115.06 2d9i h SER 72 Ca 0.57 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 61.25 2d9i h SER 72 Cb 1.07 0.35 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 2d9i h SER 72 CO -0.51 -0.34 0.00 1.41 -0.53 0.00 0.00 176.83 176.86 2d9i n HIS 73 N -5.39 0.31 -3.79 2.24 8.25 -0.39 -4.86 115.22 111.59 2d9i n HIS 73 Ca -0.04 -0.12 -0.25 0.00 -0.26 0.00 0.00 57.72 57.05 2d9i n HIS 73 Cb 0.30 -0.11 0.03 0.00 1.12 0.00 0.00 29.99 31.33 2d9i n HIS 73 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2d9i n SER 74 N 0.04 -2.59 -4.80 0.41 7.64 0.25 -4.95 113.62 109.62 2d9i n SER 74 Ca 0.05 -0.80 -0.37 0.00 1.01 0.00 0.00 58.87 58.75 2d9i n SER 74 Cb 0.31 -3.98 -0.06 0.00 -1.01 0.00 0.00 64.21 59.47 2d9i n SER 74 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2d9i s PHE 75 N -3.54 3.75 -0.07 1.43 0.08 0.69 -4.97 117.98 115.35 2d9i s PHE 75 Ca 0.26 1.47 -0.05 0.00 0.12 0.00 0.00 56.93 58.73 2d9i s PHE 75 Cb -0.13 -2.67 -0.04 0.00 -0.57 0.00 0.00 43.02 39.61 2d9i s PHE 75 CO 0.82 0.41 0.16 0.50 -0.10 0.00 0.00 175.22 177.01 2d9i s ARG 76 N -1.63 3.43 0.01 0.44 6.06 -1.26 -4.48 118.95 121.53 2d9i s ARG 76 Ca 0.40 -0.21 -0.28 0.00 -2.50 0.00 0.00 55.73 53.13 2d9i s ARG 76 Cb -0.19 -3.15 0.07 0.00 0.06 0.00 0.00 34.95 31.74 2d9i s ARG 76 CO 0.23 0.73 0.65 -0.59 -2.50 0.00 0.00 175.30 173.82 2d9i s PHE 77 N -1.15 -0.62 -0.03 5.12 -0.71 -1.26 -2.43 117.98 116.91 2d9i s PHE 77 Ca 0.20 0.89 0.01 0.00 -1.04 0.00 0.00 56.93 56.99 2d9i s PHE 77 Cb -0.12 0.44 0.02 0.00 -1.21 0.00 0.00 43.02 42.16 2d9i s PHE 77 CO 0.10 -0.67 -0.01 -1.12 -1.34 0.00 0.00 175.22 172.18 2d9i s SER 78 N -1.63 0.45 -0.59 1.98 0.01 -0.97 -4.99 113.70 107.96 2d9i s SER 78 Ca -0.08 -0.04 -0.28 0.00 1.31 0.00 0.00 55.95 56.87 2d9i s SER 78 Cb -0.00 -0.22 0.02 0.00 0.21 0.00 0.00 66.02 66.03 2d9i s SER 78 CO 0.04 -0.08 1.31 -0.70 0.41 0.00 0.00 173.24 174.21 2d9i s GLU 79 N 0.87 3.38 -0.02 12.44 2.12 -1.26 -3.49 118.70 132.74 2d9i s GLU 79 Ca -0.09 0.29 0.17 0.00 0.36 0.00 0.00 54.97 55.71 2d9i s GLU 79 Cb -0.12 -4.08 -0.26 0.00 0.26 0.00 0.00 34.13 29.92 2d9i s GLU 79 CO -0.01 -1.85 0.39 0.44 -0.54 0.00 0.00 175.26 173.68 2d9i n ILE 80 N 6.73 0.00 -4.11 -3.70 -5.35 -1.26 -5.00 119.36 106.67 2d9i n ILE 80 Ca 0.10 -0.38 -0.13 0.00 -0.27 0.00 0.00 62.75 62.07 2d9i n ILE 80 Cb 0.49 0.14 -0.11 0.00 -1.74 0.00 0.00 39.64 38.42 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 -3.17 0.66 -1.18 6.28 -0.14 -1.26 -5.05 119.74 115.88 2d9i s LYS 81 Ca -0.06 -0.96 -0.23 0.00 -1.36 0.00 0.00 55.97 53.37 2d9i s LYS 81 Cb 0.11 -0.34 -0.09 0.00 -1.68 0.00 0.00 37.83 35.82 2d9i s LYS 81 CO 0.71 0.05 1.93 -0.35 -0.76 0.00 0.00 175.35 176.93 2d9i n PRO 82 N 0.98 1.61 0.00 -1.68 -0.04 -1.26 -2.14 135.00 132.47 2d9i n PRO 82 Ca -0.19 -2.45 0.00 0.00 -0.04 0.00 0.00 63.50 60.81 2d9i n PRO 82 Cb 0.56 -3.71 0.00 0.00 -0.04 0.00 0.00 33.50 30.32 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 5.74 1.11 3.92 0.55 0.00 -1.26 -4.56 105.19 110.69 2d9i n GLY 83 Ca 0.45 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.24 0.33 -0.43 0.00 1.43 0.13 -4.43 118.68 112.48 2d9i s LEU 85 Ca 0.34 -0.27 -0.15 0.00 -1.03 0.00 0.00 54.13 53.01 2d9i s LEU 85 Cb -0.11 -0.24 0.04 0.00 0.03 0.00 0.00 46.19 45.91 2d9i s LEU 85 CO 0.28 -0.29 0.33 -0.75 0.23 0.00 0.00 176.35 176.15 2d9i s LYS 86 N 2.12 2.97 -0.24 1.70 2.20 -1.23 -0.94 119.74 126.32 2d9i s LYS 86 Ca 0.03 -1.14 -0.08 0.00 -0.36 0.00 0.00 55.97 54.43 2d9i s LYS 86 Cb -0.14 -4.03 -0.04 0.00 -1.51 0.00 0.00 37.83 32.11 2d9i s LYS 86 CO -0.06 -0.85 0.10 0.08 -0.36 0.00 0.00 175.35 174.26 2d9i s VAL 87 N 1.66 4.64 -0.14 4.02 1.01 0.15 -2.30 120.40 129.45 2d9i s VAL 87 Ca 0.05 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.67 2d9i s VAL 87 Cb -0.21 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 2d9i s VAL 87 CO 0.09 0.35 1.17 -0.04 0.00 0.00 0.00 175.10 176.67 2d9i s MET 88 N 1.37 4.29 0.38 2.72 1.00 -1.02 -0.18 119.30 127.87 2d9i s MET 88 Ca 0.06 1.58 -0.24 0.00 0.00 0.00 0.00 55.69 57.08 2d9i s MET 88 Cb -0.15 -3.66 -0.09 0.00 0.00 0.00 0.00 34.83 30.93 2d9i s MET 88 CO 0.05 -0.57 1.01 -0.51 0.00 0.00 0.00 175.02 174.99 2d9i s LEU 89 N 2.91 4.18 0.11 -0.03 1.43 0.21 -4.60 118.68 122.88 2d9i s LEU 89 Ca 0.52 1.94 0.05 0.00 -1.03 0.00 0.00 54.13 55.61 2d9i s LEU 89 Cb -0.21 -4.17 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 2d9i s LEU 89 CO 0.15 -0.35 -0.12 -1.59 0.23 0.00 0.00 176.35 174.67 2d9i s LYS 90 N -2.44 0.93 0.02 1.70 0.00 -1.26 -4.83 119.74 113.86 2d9i s LYS 90 Ca 0.56 -1.20 -0.30 0.00 0.00 0.00 0.00 55.97 55.03 2d9i s LYS 90 Cb -0.20 -0.70 -0.09 0.00 0.00 0.00 0.00 37.83 36.84 2d9i s LYS 90 CO 0.25 0.12 1.96 0.45 0.00 0.00 0.00 175.35 178.13 2d9i s SER 91 N -2.46 6.43 -0.08 0.03 0.15 -1.26 -4.98 113.70 111.53 2d9i s SER 91 Ca 0.07 2.62 0.01 0.00 0.70 0.00 0.00 55.95 59.35 2d9i s SER 91 Cb -0.04 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.72 2d9i s SER 91 CO 0.01 -1.08 -0.09 -0.83 1.20 0.00 0.00 173.24 172.46 2d9i s GLY 92 N 4.51 1.65 -0.63 9.45 0.00 -1.26 -5.06 107.32 115.99 2d9i s GLY 92 Ca 0.88 -0.90 -0.26 0.00 0.00 0.00 0.00 44.72 44.44 2d9i s GLY 92 CO 0.41 -0.56 1.87 2.56 0.00 0.00 0.00 173.10 177.38 2d9i s PRO 93 N -0.52 2.62 -0.03 2.90 0.04 -1.26 -4.95 135.00 133.79 2d9i s PRO 93 Ca 0.08 0.57 0.01 0.00 0.04 0.00 0.00 61.00 61.69 2d9i s PRO 93 Cb -0.12 -4.43 0.02 0.00 0.04 0.00 0.00 34.50 30.01 2d9i s PRO 93 CO 0.02 -2.77 -0.04 0.45 0.04 0.00 0.00 177.00 174.69 2d9i s SER 94 N 8.13 0.80 0.15 6.66 0.15 -1.26 -5.04 113.70 123.29 2d9i s SER 94 Ca 0.68 -0.11 -0.17 0.00 0.70 0.00 0.00 55.95 57.05 2d9i s SER 94 Cb -0.12 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 63.86 2d9i s SER 94 CO 0.20 -0.03 1.81 0.28 1.20 0.00 0.00 173.24 176.70 2d9i h SER 95 N 6.89 0.41 0.00 5.45 0.02 -2.09 -3.56 113.55 120.67 2d9i h SER 95 Ca -0.37 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2d9i h SER 95 Cb 1.16 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2d9i h SER 95 CO 0.48 0.30 0.00 0.61 -1.14 0.00 0.00 176.83 177.08