#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 3.59 0.19 1.61 0.01 -1.26 -5.04 113.70 112.81 2d9i s SER 2 Ca 0.00 -0.77 -0.12 0.00 1.31 0.00 0.00 55.95 56.37 2d9i s SER 2 Cb 0.00 -0.35 0.12 0.00 0.21 0.00 0.00 66.02 66.00 2d9i s SER 2 CO 0.00 0.14 1.86 0.77 0.41 0.00 0.00 173.24 176.42 2d9i h SER 3 N 3.34 0.75 -3.46 2.44 4.64 -2.05 -3.40 113.55 115.80 2d9i h SER 3 Ca -0.48 -0.02 -0.64 0.00 -0.47 0.00 0.00 61.79 60.19 2d9i h SER 3 Cb 1.20 -0.18 -0.21 0.00 -0.31 0.00 0.00 62.40 62.89 2d9i h SER 3 CO 0.47 0.54 -0.63 -0.83 -0.87 0.00 0.00 176.83 175.51 2d9i s GLY 4 N -2.81 1.77 0.06 -0.77 0.00 -1.26 -4.99 107.32 99.32 2d9i s GLY 4 Ca -0.13 -0.97 -0.16 0.00 0.00 0.00 0.00 44.72 43.47 2d9i s GLY 4 CO 0.76 0.26 1.17 0.23 0.00 0.00 0.00 173.10 175.53 2d9i h SER 5 N 7.48 0.81 -3.03 1.64 0.87 -2.04 -3.45 113.55 115.83 2d9i h SER 5 Ca -0.36 -0.73 -0.63 0.00 -1.23 0.00 0.00 61.79 58.83 2d9i h SER 5 Cb 1.18 -0.25 -0.15 0.00 -0.44 0.00 0.00 62.40 62.74 2d9i h SER 5 CO 0.62 1.43 -0.74 -0.94 -0.53 0.00 0.00 176.83 176.68 2d9i s SER 6 N -7.11 4.13 -0.38 6.23 1.04 -1.26 -5.10 113.70 111.24 2d9i s SER 6 Ca -0.11 -0.62 0.02 0.00 0.48 0.00 0.00 55.95 55.72 2d9i s SER 6 Cb 0.06 -0.65 0.15 0.00 0.10 0.00 0.00 66.02 65.68 2d9i s SER 6 CO 0.89 0.11 0.29 -0.83 0.98 0.00 0.00 173.24 174.68 2d9i s GLY 7 N -2.80 0.84 0.51 7.32 0.00 -1.26 -5.13 107.32 106.80 2d9i s GLY 7 Ca 0.24 -1.97 -0.21 0.00 0.00 0.00 0.00 44.72 42.79 2d9i s GLY 7 CO 0.14 2.21 1.12 1.20 0.00 0.00 0.00 173.10 177.78 2d9i s GLN 8 N 0.70 3.54 -0.11 2.90 -1.52 -1.26 -4.97 119.66 118.94 2d9i s GLN 8 Ca 0.24 1.61 0.11 0.00 -1.95 0.00 0.00 55.36 55.38 2d9i s GLN 8 Cb -0.11 -2.13 -0.16 0.00 -0.22 0.00 0.00 33.01 30.39 2d9i s GLN 8 CO -0.08 -0.70 0.06 -1.71 -0.25 0.00 0.00 175.29 172.62 2d9i n ASN 9 N -1.02 1.96 -4.56 5.90 4.05 -1.26 -4.92 115.26 115.42 2d9i n ASN 9 Ca 0.10 0.00 -0.42 0.00 0.45 0.00 0.00 54.58 54.71 2d9i n ASN 9 Cb 0.50 0.87 -0.07 0.00 1.23 0.00 0.00 39.78 42.31 2d9i n ASN 9 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2d9i s VAL 10 N -2.35 4.94 -0.47 3.44 0.11 -1.24 -0.60 120.40 124.23 2d9i s VAL 10 Ca -0.06 0.41 -0.17 0.00 -2.93 0.00 0.00 61.98 59.23 2d9i s VAL 10 Cb 0.04 -4.04 0.05 0.00 -1.53 0.00 0.00 36.38 30.90 2d9i s VAL 10 CO 0.51 -0.30 0.49 -0.22 -3.33 0.00 0.00 175.10 172.25 2d9i s LEU 11 N 2.57 5.15 -0.34 2.54 2.96 -0.71 -4.92 118.68 125.93 2d9i s LEU 11 Ca 0.21 -0.98 -0.29 0.00 -0.22 0.00 0.00 54.13 52.86 2d9i s LEU 11 Cb -0.15 -2.34 -0.01 0.00 0.50 0.00 0.00 46.19 44.19 2d9i s LEU 11 CO 0.14 -0.72 1.61 1.51 -1.32 0.00 0.00 176.35 177.57 2d9i s ASP 12 N 2.40 6.17 0.00 3.68 -4.77 -1.26 -2.34 116.67 120.55 2d9i s ASP 12 Ca 0.11 1.18 0.17 0.00 -3.30 0.00 0.00 52.55 50.70 2d9i s ASP 12 Cb -0.20 -2.53 -0.02 0.00 -1.09 0.00 0.00 42.92 39.07 2d9i s ASP 12 CO 0.11 -1.51 0.87 0.18 0.70 0.00 0.00 175.17 175.51 2d9i n LEU 13 N 9.33 1.59 -4.70 2.11 4.77 0.80 -4.95 117.00 125.96 2d9i n LEU 13 Ca 0.20 -0.74 -0.44 0.00 -0.03 0.00 0.00 56.01 55.00 2d9i n LEU 13 Cb 0.47 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 2d9i n LEU 13 CO 0.68 0.31 1.20 1.57 -1.33 0.00 0.00 177.39 179.82 2d9i n HIS 14 N -0.23 2.51 0.00 -1.77 -0.00 -0.99 -2.03 115.22 112.72 2d9i n HIS 14 Ca 0.07 0.26 0.00 0.00 0.46 0.00 0.00 57.72 58.51 2d9i n HIS 14 Cb 0.35 -2.56 0.00 0.00 -0.12 0.00 0.00 29.99 27.65 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 2.85 2.64 3.60 1.57 0.00 -1.26 -5.00 105.19 109.58 2d9i n GLY 15 Ca 0.13 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 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 1.99 0.18 0.99 1.43 -0.86 -4.99 118.68 117.41 2d9i s LEU 16 Ca 0.00 1.89 -0.16 0.00 -1.03 0.00 0.00 54.13 54.83 2d9i s LEU 16 Cb 0.00 -4.08 -0.07 0.00 0.03 0.00 0.00 46.19 42.07 2d9i s LEU 16 CO 0.00 -3.55 0.62 -2.28 0.23 0.00 0.00 176.35 171.36 2d9i s HIS 17 N -2.58 3.60 0.18 0.29 5.65 -1.26 -4.80 115.29 116.37 2d9i s HIS 17 Ca 0.67 1.17 -0.09 0.00 0.25 0.00 0.00 55.06 57.07 2d9i s HIS 17 Cb -0.24 -2.46 0.25 0.00 -1.18 0.00 0.00 32.58 28.96 2d9i s HIS 17 CO 0.61 0.38 1.09 0.28 -0.65 0.00 0.00 174.74 176.44 2d9i n VAL 18 N 0.68 -0.33 0.21 0.89 0.31 -1.26 0.80 118.33 119.63 2d9i n VAL 18 Ca -0.04 1.62 -0.15 0.00 -0.01 0.00 0.00 64.34 65.77 2d9i n VAL 18 Cb 0.52 -2.19 -0.08 0.00 -0.91 0.00 0.00 33.84 31.17 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 -0.45 0.16 4.52 3.32 -1.95 -1.71 116.42 120.30 2d9i h ASP 19 Ca 0.29 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.37 2d9i h ASP 19 Cb 0.47 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 2d9i h ASP 19 CO -0.71 -0.30 -0.38 -0.33 -1.72 0.00 0.00 179.24 175.80 2d9i h GLU 20 N -0.49 -0.57 -0.77 3.56 4.39 0.03 0.33 114.58 121.06 2d9i h GLU 20 Ca -0.04 0.04 0.16 0.00 0.34 0.00 0.00 59.36 59.86 2d9i h GLU 20 Cb 0.39 0.13 -0.14 0.00 -0.10 0.00 0.00 28.75 29.03 2d9i h GLU 20 CO 0.05 -0.38 -0.12 0.00 -1.16 0.00 0.00 179.01 177.40 2d9i h ALA 21 N -0.90 0.62 0.55 3.43 0.00 -0.95 0.14 119.26 122.15 2d9i h ALA 21 Ca -0.02 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2d9i h ALA 21 Cb 0.57 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2d9i h ALA 21 CO -0.17 -0.42 -0.35 -0.07 0.00 0.00 0.00 179.25 178.24 2d9i h LEU 22 N 0.03 -0.89 -1.39 0.00 3.38 -0.80 0.46 115.31 116.11 2d9i h LEU 22 Ca 0.39 0.05 0.28 0.00 0.09 0.00 0.00 57.88 58.69 2d9i h LEU 22 Cb 0.64 0.26 -0.09 0.00 0.09 0.00 0.00 40.66 41.56 2d9i h LEU 22 CO -0.75 -0.53 0.68 -0.33 0.09 0.00 0.00 178.44 177.60 2d9i h GLU 23 N -0.84 0.35 -0.05 1.13 5.08 -0.22 0.39 114.58 120.42 2d9i h GLU 23 Ca -0.07 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.05 2d9i h GLU 23 Cb 0.68 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2d9i h GLU 23 CO 0.07 0.23 -0.85 0.45 -1.00 0.00 0.00 179.01 177.90 2d9i h HIS 24 N 0.36 0.67 -0.45 4.33 3.86 -0.29 -1.83 115.15 121.80 2d9i h HIS 24 Ca 0.61 -0.33 -0.05 0.00 -1.16 0.00 0.00 60.37 59.44 2d9i h HIS 24 Cb 1.59 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.94 2d9i h HIS 24 CO -0.00 1.13 0.08 1.25 0.86 0.00 0.00 177.93 181.25 2d9i h LEU 25 N 0.29 0.64 0.15 2.43 5.85 0.42 0.12 115.31 125.21 2d9i h LEU 25 Ca -0.06 -0.11 -0.24 0.00 0.84 0.00 0.00 57.88 58.30 2d9i h LEU 25 Cb 1.47 -0.17 0.03 0.00 0.37 0.00 0.00 40.66 42.36 2d9i h LEU 25 CO 0.15 0.65 -1.05 0.24 -0.34 0.00 0.00 178.44 178.10 2d9i h MET 26 N 0.66 0.44 -0.56 1.25 2.86 -1.22 -2.32 114.93 116.05 2d9i h MET 26 Ca 0.15 -0.68 -0.07 0.00 -2.06 0.00 0.00 59.70 57.04 2d9i h MET 26 Cb 0.29 0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 2d9i h MET 26 CO 0.00 1.31 0.06 0.00 1.06 0.00 0.00 176.91 179.33 2d9i h ARG 27 N -0.08 0.92 0.00 1.72 3.08 -1.18 -2.72 114.38 116.12 2d9i h ARG 27 Ca -0.17 -0.24 -0.16 0.00 0.07 0.00 0.00 59.98 59.48 2d9i h ARG 27 Cb 1.79 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.71 2d9i h ARG 27 CO 0.20 0.88 -0.76 -0.39 -1.07 0.00 0.00 179.97 178.83 2d9i h VAL 28 N 0.86 1.53 -0.48 2.04 -1.51 -0.85 -1.94 116.25 115.91 2d9i h VAL 28 Ca 0.17 -2.61 0.09 0.00 -1.23 0.00 0.00 66.70 63.11 2d9i h VAL 28 Cb 0.43 2.41 -0.03 0.00 -2.13 0.00 0.00 31.29 31.98 2d9i h VAL 28 CO 0.01 0.74 0.33 -0.07 -1.23 0.00 0.00 177.57 177.35 2d9i h LEU 29 N 0.00 0.24 0.02 4.19 3.38 -1.08 0.51 115.31 122.57 2d9i h LEU 29 Ca -0.01 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.61 2d9i h LEU 29 Cb 1.35 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 42.01 2d9i h LEU 29 CO 0.10 0.15 -1.97 -1.84 0.09 0.00 0.00 178.44 174.97 2d9i n GLU 30 N -4.46 0.61 0.30 1.13 0.28 -1.19 -3.19 120.64 114.11 2d9i n GLU 30 Ca 0.07 0.37 0.18 0.00 -0.16 0.00 0.00 57.16 57.62 2d9i n GLU 30 Cb 0.35 -1.62 0.97 0.00 1.43 0.00 0.00 31.44 32.57 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 -0.75 0.00 0.00 3.44 3.64 -1.22 0.24 116.57 121.93 2d9i h LYS 31 Ca -0.52 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.73 2d9i h LYS 31 Cb 1.58 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.38 2d9i h LYS 31 CO -0.24 0.03 -0.77 0.87 -2.27 0.00 0.00 179.45 177.07 2d9i h LYS 32 N 0.00 0.00 0.00 1.90 1.79 -0.15 -3.35 116.57 116.76 2d9i h LYS 32 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2d9i h LYS 32 Cb 0.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 2d9i h LYS 32 CO 0.00 0.92 0.00 0.00 -1.08 0.00 0.00 179.45 179.30 2d9i h THR 33 N -1.00 0.00 -0.81 -0.16 1.03 -1.47 -2.77 112.91 107.73 2d9i h THR 33 Ca -0.21 -0.22 0.03 0.00 -0.01 0.00 0.00 66.41 66.00 2d9i h THR 33 Cb 1.13 1.05 -0.05 0.00 -1.07 0.00 0.00 68.15 69.21 2d9i h THR 33 CO -0.13 0.00 0.52 1.05 -0.01 0.00 0.00 175.52 176.95 2d9i h GLU 34 N 0.00 0.99 0.20 0.00 4.11 -1.08 -2.78 114.58 116.02 2d9i h GLU 34 Ca 0.00 -0.06 -0.32 0.00 0.07 0.00 0.00 59.36 59.05 2d9i h GLU 34 Cb 0.26 -0.22 0.02 0.00 0.50 0.00 0.00 28.75 29.30 2d9i h GLU 34 CO 0.00 0.66 -1.50 0.93 0.07 0.00 0.00 179.01 179.17 2d9i h GLU 35 N 1.02 0.42 0.00 1.06 4.39 -1.68 -3.17 114.58 116.62 2d9i h GLU 35 Ca 0.32 -0.71 0.00 0.00 0.34 0.00 0.00 59.36 59.30 2d9i h GLU 35 Cb -0.01 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2d9i h GLU 35 CO -0.10 1.33 0.38 0.35 -1.16 0.00 0.00 179.01 179.81 2d9i h PHE 36 N 0.11 0.00 0.00 4.33 3.57 -1.41 0.58 116.94 124.12 2d9i h PHE 36 Ca -0.25 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.25 2d9i h PHE 36 Cb 2.10 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.84 2d9i h PHE 36 CO 0.10 0.00 -0.23 1.63 -2.23 0.00 0.00 178.31 177.58 2d9i n LYS 37 N -2.82 0.16 0.04 1.11 5.02 -1.07 -3.09 118.16 117.50 2d9i n LYS 37 Ca -0.02 0.26 -0.11 0.00 -2.02 0.00 0.00 58.31 56.42 2d9i n LYS 37 Cb 0.43 -0.99 -0.05 0.00 -0.02 0.00 0.00 35.03 34.40 2d9i n LYS 37 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 2d9i h GLN 38 N -0.34 -0.12 0.01 1.97 3.07 -1.48 -3.34 115.11 114.88 2d9i h GLN 38 Ca 0.00 0.01 -0.00 0.00 0.09 0.00 0.00 58.65 58.75 2d9i h GLN 38 Cb 0.23 0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.82 2d9i h GLN 38 CO 0.00 -0.08 -0.00 -0.91 0.09 0.00 0.00 178.83 177.92 2d9i h ASN 39 N -0.13 -0.01 0.00 0.06 2.35 -0.14 -3.51 115.58 114.19 2d9i h ASN 39 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2d9i h ASN 39 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2d9i h ASN 39 CO -0.11 0.09 0.00 0.61 -1.65 0.00 0.00 177.43 176.37 2d9i n GLY 40 N 1.81 2.26 0.00 2.83 0.00 -0.60 -5.00 105.19 106.49 2d9i n GLY 40 Ca -0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 0.51 3.03 3.68 -0.02 0.00 -1.22 -4.93 105.19 106.23 2d9i n GLY 41 Ca 0.00 -1.07 -0.46 0.00 0.00 0.00 0.00 46.02 44.49 2d9i n GLY 41 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2d9i n LYS 42 N 0.00 2.25 0.00 1.61 0.00 -1.26 -4.83 118.16 115.93 2d9i n LYS 42 Ca 0.00 0.82 0.08 0.00 -0.00 0.00 0.00 58.31 59.20 2d9i n LYS 42 Cb 0.00 -2.61 0.45 0.00 -0.00 0.00 0.00 35.03 32.86 2d9i n LYS 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2d9i n PRO 43 N 4.19 0.44 -3.97 -1.58 -0.04 -1.26 -4.74 135.00 128.03 2d9i n PRO 43 Ca 0.18 0.03 -0.27 0.00 -0.04 0.00 0.00 63.50 63.39 2d9i n PRO 43 Cb 0.30 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.25 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 -2.10 1.57 -0.17 0.54 -0.85 -1.26 0.13 117.35 115.22 2d9i s TYR 44 Ca 0.22 -0.87 -0.08 0.00 -0.52 0.00 0.00 57.07 55.82 2d9i s TYR 44 Cb 0.11 -1.87 0.07 0.00 0.38 0.00 0.00 41.96 40.64 2d9i s TYR 44 CO 0.19 -0.45 0.38 -1.17 -1.52 0.00 0.00 175.55 172.98 2d9i s LEU 45 N -4.26 -0.22 0.39 -3.49 2.96 0.84 -4.64 118.68 110.26 2d9i s LEU 45 Ca 0.30 0.85 -0.20 0.00 -0.22 0.00 0.00 54.13 54.86 2d9i s LEU 45 Cb -0.02 1.21 -0.10 0.00 0.50 0.00 0.00 46.19 47.77 2d9i s LEU 45 CO 0.19 -0.21 0.90 -0.44 -1.32 0.00 0.00 176.35 175.48 2d9i s SER 46 N 1.85 6.95 -0.11 3.68 0.01 0.23 -1.35 113.70 124.96 2d9i s SER 46 Ca -0.06 1.62 -0.07 0.00 1.31 0.00 0.00 55.95 58.75 2d9i s SER 46 Cb -0.10 -2.51 0.04 0.00 0.21 0.00 0.00 66.02 63.66 2d9i s SER 46 CO -0.12 -0.29 0.28 -0.69 0.41 0.00 0.00 173.24 172.83 2d9i s VAL 47 N -2.07 -0.03 -0.26 3.43 1.01 -0.73 -1.74 120.40 120.01 2d9i s VAL 47 Ca 0.59 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.70 2d9i s VAL 47 Cb -0.10 -0.42 0.07 0.00 0.00 0.00 0.00 36.38 35.93 2d9i s VAL 47 CO 0.15 0.04 -0.06 -0.63 0.00 0.00 0.00 175.10 174.61 2d9i s ILE 48 N 1.03 1.89 -0.09 2.22 1.01 -0.99 0.64 121.20 126.92 2d9i s ILE 48 Ca -0.07 -1.58 -0.23 0.00 0.00 0.00 0.00 60.65 58.77 2d9i s ILE 48 Cb -0.08 -2.14 -0.29 0.00 0.01 0.00 0.00 42.46 39.96 2d9i s ILE 48 CO -0.07 -0.17 0.78 0.71 0.00 0.00 0.00 174.94 176.19 2d9i h THR 49 N 6.70 1.50 -3.19 2.92 1.35 -1.85 0.23 112.91 120.57 2d9i h THR 49 Ca -0.16 -2.45 -0.62 0.00 -0.55 0.00 0.00 66.41 62.62 2d9i h THR 49 Cb 1.05 3.14 -0.35 0.00 -1.73 0.00 0.00 68.15 70.26 2d9i h THR 49 CO 0.45 0.67 -0.85 -0.83 -0.25 0.00 0.00 175.52 174.71 2d9i s GLY 50 N -4.47 1.19 0.07 5.82 0.00 -1.26 -2.33 107.32 106.34 2d9i s GLY 50 Ca -0.17 -0.93 -0.37 0.00 0.00 0.00 0.00 44.72 43.25 2d9i s GLY 50 CO 0.77 0.24 1.57 -0.09 0.00 0.00 0.00 173.10 175.59 2d9i h ARG 51 N 7.60 -1.20 0.00 2.90 9.65 -1.90 -3.43 114.38 128.01 2d9i h ARG 51 Ca -0.35 0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.61 2d9i h ARG 51 Cb 1.17 0.27 0.00 0.00 -1.39 0.00 0.00 29.97 30.02 2d9i h ARG 51 CO 0.53 -0.80 0.00 0.41 2.80 0.00 0.00 179.97 182.91 2d9i n GLY 52 N -1.64 0.09 3.92 2.80 0.00 -1.26 -4.94 105.19 104.16 2d9i n GLY 52 Ca -0.15 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 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 5.09 0.18 1.61 -0.87 -1.26 -4.98 114.94 114.71 2d9i s ASN 53 Ca 0.00 0.62 -0.23 0.00 -1.57 0.00 0.00 52.86 51.68 2d9i s ASN 53 Cb 0.00 -1.38 0.09 0.00 -0.02 0.00 0.00 41.25 39.94 2d9i s ASN 53 CO 0.00 -1.43 1.58 -0.74 -2.57 0.00 0.00 177.10 173.94 2d9i h HIS 54 N -0.51 -1.09 -4.36 2.20 -0.00 -2.02 -3.41 115.15 105.96 2d9i h HIS 54 Ca -0.45 0.08 -0.51 0.00 -0.00 0.00 0.00 60.37 59.49 2d9i h HIS 54 Cb 1.29 0.56 0.07 0.00 -0.00 0.00 0.00 27.41 29.34 2d9i h HIS 54 CO 0.39 -0.40 0.40 -1.12 -0.00 0.00 0.00 177.93 177.20 2d9i s SER 55 N -5.17 5.89 0.02 3.26 0.01 -1.26 -4.95 113.70 111.49 2d9i s SER 55 Ca -0.14 1.44 -0.32 0.00 1.31 0.00 0.00 55.95 58.23 2d9i s SER 55 Cb 0.15 -2.41 -0.11 0.00 0.21 0.00 0.00 66.02 63.86 2d9i s SER 55 CO 0.68 -1.09 1.89 0.00 0.41 0.00 0.00 173.24 175.12 2d9i n GLN 56 N -2.89 2.56 0.00 12.44 0.00 -1.26 -4.70 117.38 123.53 2d9i n GLN 56 Ca 0.06 0.94 0.00 0.00 0.00 0.00 0.00 57.00 58.00 2d9i n GLN 56 Cb 0.54 -2.83 0.00 0.00 0.00 0.00 0.00 30.24 27.95 2d9i n GLN 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2d9i n GLY 57 N 4.36 1.09 0.00 2.61 0.00 -1.26 -4.86 105.19 107.13 2d9i n GLY 57 Ca 0.20 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 0.00 -0.32 0.92 -0.02 0.00 -1.26 -4.67 105.19 99.85 2d9i n GLY 58 Ca 0.00 -1.18 0.08 0.00 0.00 0.00 0.00 46.02 44.92 2d9i n GLY 58 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2d9i n VAL 59 N 9.00 0.68 -0.22 1.61 3.14 -1.26 -4.40 118.33 126.88 2d9i n VAL 59 Ca 0.00 -0.67 0.03 0.00 -2.96 0.00 0.00 64.34 60.74 2d9i n VAL 59 Cb 0.00 0.32 0.13 0.00 -1.06 0.00 0.00 33.84 33.23 2d9i n VAL 59 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2d9i h ALA 60 N 3.90 0.76 -4.64 1.55 0.00 -1.96 -3.45 119.26 115.42 2d9i h ALA 60 Ca 0.00 0.17 -0.39 0.00 0.00 0.00 0.00 54.91 54.69 2d9i h ALA 60 Cb 0.68 0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.74 2d9i h ALA 60 CO 0.01 -0.36 -0.57 0.54 0.00 0.00 0.00 179.25 178.87 2d9i n ARG 61 N -5.21 -4.10 -0.03 0.00 1.74 -1.26 -4.42 116.66 103.37 2d9i n ARG 61 Ca 0.11 0.77 -0.20 0.00 -0.77 0.00 0.00 57.85 57.76 2d9i n ARG 61 Cb 0.39 -5.56 -0.13 0.00 -1.02 0.00 0.00 32.46 26.14 2d9i n ARG 61 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2d9i h ILE 62 N -1.10 1.13 -0.51 0.55 2.04 -1.92 -3.35 117.51 114.36 2d9i h ILE 62 Ca -0.48 -2.33 0.07 0.00 1.00 0.00 0.00 64.86 63.11 2d9i h ILE 62 Cb 1.33 2.70 -0.06 0.00 -0.74 0.00 0.00 36.82 40.06 2d9i h ILE 62 CO 0.55 0.59 0.19 0.50 0.00 0.00 0.00 178.15 179.97 2d9i h LYS 63 N -0.60 0.36 -0.10 2.37 3.64 -1.91 -2.58 116.57 117.74 2d9i h LYS 63 Ca -0.27 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.11 2d9i h LYS 63 Cb 1.52 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 33.22 2d9i h LYS 63 CO -0.02 0.24 -0.29 -1.35 -2.27 0.00 0.00 179.45 175.75 2d9i h PRO 64 N 0.37 -0.28 -0.13 1.90 0.11 -1.98 0.72 132.00 132.70 2d9i h PRO 64 Ca 0.24 0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.42 2d9i h PRO 64 Cb 0.26 0.06 -0.07 0.00 0.11 0.00 0.00 31.00 31.37 2d9i h PRO 64 CO -0.25 -0.19 -0.44 0.00 -0.21 0.00 0.00 178.00 176.92 2d9i h ALA 65 N -0.78 -0.62 -0.39 -0.75 0.00 -1.66 -0.91 119.26 114.14 2d9i h ALA 65 Ca 0.02 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.98 2d9i h ALA 65 Cb 0.35 0.81 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 2d9i h ALA 65 CO -0.25 -0.94 -0.44 0.28 0.00 0.00 0.00 179.25 177.89 2d9i h VAL 66 N -0.50 0.10 -0.94 0.00 2.07 -1.20 0.26 116.25 116.04 2d9i h VAL 66 Ca 0.07 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.78 2d9i h VAL 66 Cb 0.63 0.10 -0.08 0.00 -1.52 0.00 0.00 31.29 30.42 2d9i h VAL 66 CO -0.41 0.00 0.60 0.40 0.02 0.00 0.00 177.57 178.19 2d9i h ILE 67 N -0.35 0.72 -0.29 4.57 2.04 -0.38 0.38 117.51 124.20 2d9i h ILE 67 Ca 0.13 -0.21 -0.13 0.00 1.00 0.00 0.00 64.86 65.65 2d9i h ILE 67 Cb 0.59 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2d9i h ILE 67 CO -0.57 0.11 -0.34 0.50 0.00 0.00 0.00 178.15 177.85 2d9i h LYS 68 N 0.60 0.74 0.00 2.37 3.11 0.67 -2.38 116.57 121.69 2d9i h LYS 68 Ca 0.50 -0.41 -0.11 0.00 -2.81 0.00 0.00 60.65 57.83 2d9i h LYS 68 Cb 0.98 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 32.22 2d9i h LYS 68 CO -0.25 1.04 -0.50 -0.92 -2.81 0.00 0.00 179.45 176.00 2d9i h TYR 69 N 0.49 0.00 0.46 1.91 5.03 0.11 -3.03 116.97 121.95 2d9i h TYR 69 Ca 0.04 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 2d9i h TYR 69 Cb 0.93 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.21 2d9i h TYR 69 CO 0.07 0.50 -0.22 -0.07 -1.32 0.00 0.00 178.16 177.12 2d9i h LEU 70 N 0.00 -0.53 -0.90 2.82 3.38 -0.25 -3.17 115.31 116.66 2d9i h LEU 70 Ca -0.01 -0.06 0.21 0.00 0.09 0.00 0.00 57.88 58.12 2d9i h LEU 70 Cb 0.95 0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.71 2d9i h LEU 70 CO 0.07 -0.11 0.42 0.40 0.09 0.00 0.00 178.44 179.30 2d9i h ILE 71 N -1.08 0.51 -0.13 1.22 2.04 -1.49 0.60 117.51 119.19 2d9i h ILE 71 Ca -0.06 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.69 2d9i h ILE 71 Cb 0.55 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.60 2d9i h ILE 71 CO 0.10 0.08 -0.41 0.28 0.00 0.00 0.00 178.15 178.21 2d9i h SER 72 N 0.44 -1.27 -0.02 1.72 0.02 -1.55 0.27 113.55 113.15 2d9i h SER 72 Ca 0.56 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.68 2d9i h SER 72 Cb 1.03 0.52 0.00 0.00 0.14 0.00 0.00 62.40 64.09 2d9i h SER 72 CO -0.50 -0.42 0.00 1.41 -1.14 0.00 0.00 176.83 176.18 2d9i n HIS 73 N -5.43 0.04 -3.69 3.45 8.25 -0.55 -4.85 115.22 112.43 2d9i n HIS 73 Ca -0.04 -0.02 -0.27 0.00 -0.26 0.00 0.00 57.72 57.13 2d9i n HIS 73 Cb 0.36 -0.02 0.05 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.36 -5.54 -4.61 0.41 7.64 0.95 -4.89 113.62 107.22 2d9i n SER 74 Ca 0.01 -0.62 -0.43 0.00 1.01 0.00 0.00 58.87 58.84 2d9i n SER 74 Cb 0.06 -4.40 -0.02 0.00 -1.01 0.00 0.00 64.21 58.84 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 -3.28 2.50 0.26 1.43 0.08 0.09 -4.97 117.98 114.09 2d9i s PHE 75 Ca 0.60 0.72 -0.29 0.00 0.12 0.00 0.00 56.93 58.07 2d9i s PHE 75 Cb -0.28 -4.23 -0.10 0.00 -0.57 0.00 0.00 43.02 37.84 2d9i s PHE 75 CO 0.74 -1.86 1.27 0.50 -0.10 0.00 0.00 175.22 175.76 2d9i s ARG 76 N 4.72 4.42 0.14 0.44 6.06 -1.26 -4.58 118.95 128.89 2d9i s ARG 76 Ca 0.59 2.08 -0.18 0.00 -2.50 0.00 0.00 55.73 55.71 2d9i s ARG 76 Cb -0.14 -3.14 0.05 0.00 0.06 0.00 0.00 34.95 31.77 2d9i s ARG 76 CO 0.30 -0.15 0.48 -0.59 -2.50 0.00 0.00 175.30 172.84 2d9i s PHE 77 N -0.59 -0.31 -0.11 5.12 -0.71 -1.26 -2.35 117.98 117.77 2d9i s PHE 77 Ca 0.52 0.03 -0.03 0.00 -1.04 0.00 0.00 56.93 56.40 2d9i s PHE 77 Cb -0.37 0.37 0.05 0.00 -1.21 0.00 0.00 43.02 41.86 2d9i s PHE 77 CO 0.44 -0.76 0.12 0.45 -1.34 0.00 0.00 175.22 174.12 2d9i s SER 78 N -2.79 1.37 -0.50 1.98 0.15 -1.04 -5.01 113.70 107.85 2d9i s SER 78 Ca 0.03 -0.06 -0.27 0.00 0.70 0.00 0.00 55.95 56.34 2d9i s SER 78 Cb 0.01 0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.31 2d9i s SER 78 CO -0.12 -0.28 1.81 -0.70 1.20 0.00 0.00 173.24 175.15 2d9i s GLU 79 N 2.22 2.92 -0.04 5.44 2.12 -1.26 -3.80 118.70 126.30 2d9i s GLU 79 Ca 0.04 0.91 0.19 0.00 0.36 0.00 0.00 54.97 56.47 2d9i s GLU 79 Cb -0.13 -4.30 -0.24 0.00 0.26 0.00 0.00 34.13 29.72 2d9i s GLU 79 CO -0.06 -2.36 0.48 0.44 -0.54 0.00 0.00 175.26 173.21 2d9i n ILE 80 N 7.28 0.78 -4.03 -3.70 -5.35 -1.26 -4.97 119.36 108.11 2d9i n ILE 80 Ca 0.21 -0.67 -0.09 0.00 -0.27 0.00 0.00 62.75 61.94 2d9i n ILE 80 Cb 0.50 -0.36 -0.11 0.00 -1.74 0.00 0.00 39.64 37.94 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 -3.03 0.44 0.00 6.28 -0.14 -1.26 -5.02 119.74 117.00 2d9i s LYS 81 Ca -0.07 -0.82 0.11 0.00 -1.36 0.00 0.00 55.97 53.83 2d9i s LYS 81 Cb 0.10 0.08 0.63 0.00 -1.68 0.00 0.00 37.83 36.96 2d9i s LYS 81 CO 0.85 -0.05 1.07 -0.35 -0.76 0.00 0.00 175.35 176.10 2d9i n PRO 82 N 1.11 0.49 -1.39 -1.68 -0.04 -1.26 -2.71 135.00 129.51 2d9i n PRO 82 Ca -0.21 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.26 2d9i n PRO 82 Cb 0.57 -1.34 -0.00 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 0.88 3.36 0.55 0.00 -1.26 -4.92 105.19 103.78 2d9i n GLY 83 Ca 0.08 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.65 0.55 -0.50 0.00 1.43 0.21 -4.23 118.68 114.48 2d9i s LEU 85 Ca -0.09 -0.43 -0.23 0.00 -1.03 0.00 0.00 54.13 52.35 2d9i s LEU 85 Cb -0.02 -0.34 0.04 0.00 0.03 0.00 0.00 46.19 45.90 2d9i s LEU 85 CO 0.02 -0.29 0.85 -0.75 0.23 0.00 0.00 176.35 176.41 2d9i s LYS 86 N 2.05 3.35 -0.23 1.70 2.20 -1.25 -1.78 119.74 125.78 2d9i s LYS 86 Ca 0.02 -0.24 -0.05 0.00 -0.36 0.00 0.00 55.97 55.34 2d9i s LYS 86 Cb -0.15 -4.01 -0.02 0.00 -1.51 0.00 0.00 37.83 32.15 2d9i s LYS 86 CO -0.07 -1.30 0.01 0.08 -0.36 0.00 0.00 175.35 173.71 2d9i s VAL 87 N 3.54 3.82 -0.30 4.02 1.01 -0.45 -2.50 120.40 129.54 2d9i s VAL 87 Ca 0.29 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 2d9i s VAL 87 Cb -0.13 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 2d9i s VAL 87 CO 0.20 0.39 1.54 -0.04 0.00 0.00 0.00 175.10 177.19 2d9i s MET 88 N 1.48 3.69 0.90 2.72 1.00 -0.99 -0.12 119.30 127.98 2d9i s MET 88 Ca 0.05 1.38 -0.10 0.00 0.00 0.00 0.00 55.69 57.02 2d9i s MET 88 Cb -0.15 -4.03 0.13 0.00 0.00 0.00 0.00 34.83 30.79 2d9i s MET 88 CO 0.00 -1.42 1.12 -0.51 0.00 0.00 0.00 175.02 174.21 2d9i s LEU 89 N 5.37 2.69 -0.11 -0.03 1.43 0.36 -4.72 118.68 123.67 2d9i s LEU 89 Ca 0.68 1.99 -0.30 0.00 -1.03 0.00 0.00 54.13 55.47 2d9i s LEU 89 Cb -0.20 -4.42 -0.02 0.00 0.03 0.00 0.00 46.19 41.58 2d9i s LEU 89 CO 0.29 -2.89 1.13 -0.54 0.23 0.00 0.00 176.35 174.57 2d9i s LYS 90 N -4.72 4.34 -0.01 1.70 -0.14 -1.26 -4.83 119.74 114.82 2d9i s LYS 90 Ca 0.65 1.54 -0.05 0.00 -1.36 0.00 0.00 55.97 56.75 2d9i s LYS 90 Cb -0.21 -3.60 0.00 0.00 -1.68 0.00 0.00 37.83 32.34 2d9i s LYS 90 CO 0.58 -0.47 0.10 -1.54 -0.76 0.00 0.00 175.35 173.26 2d9i s SER 91 N 1.39 0.01 0.74 2.83 1.04 -1.26 -5.05 113.70 113.41 2d9i s SER 91 Ca 0.52 -0.11 -0.02 0.00 0.48 0.00 0.00 55.95 56.82 2d9i s SER 91 Cb -0.21 0.20 0.13 0.00 0.10 0.00 0.00 66.02 66.25 2d9i s SER 91 CO 0.17 -0.25 1.02 -0.83 0.98 0.00 0.00 173.24 174.33 2d9i s GLY 92 N -0.93 1.76 -0.10 7.32 0.00 -1.26 -5.02 107.32 109.09 2d9i s GLY 92 Ca -0.10 -1.69 -0.29 0.00 0.00 0.00 0.00 44.72 42.63 2d9i s GLY 92 CO 0.01 -1.11 1.52 2.56 0.00 0.00 0.00 173.10 176.08 2d9i s PRO 93 N -5.20 4.19 0.25 2.90 0.04 -1.26 -5.00 135.00 130.92 2d9i s PRO 93 Ca 0.67 2.00 -0.24 0.00 0.04 0.00 0.00 61.00 63.47 2d9i s PRO 93 Cb -0.05 -3.91 -0.09 0.00 0.04 0.00 0.00 34.50 30.49 2d9i s PRO 93 CO 0.45 -0.81 0.84 0.45 0.04 0.00 0.00 177.00 177.97 2d9i s SER 94 N 2.91 7.30 -0.03 6.66 0.15 -1.26 -5.07 113.70 124.36 2d9i s SER 94 Ca 0.67 1.68 0.01 0.00 0.70 0.00 0.00 55.95 59.01 2d9i s SER 94 Cb -0.29 -2.52 0.02 0.00 -1.71 0.00 0.00 66.02 61.52 2d9i s SER 94 CO 0.25 0.05 -0.03 -0.94 1.20 0.00 0.00 173.24 173.77 2d9i s SER 95 N -1.47 0.68 0.00 5.45 1.04 -1.26 -5.34 113.70 112.79 2d9i s SER 95 Ca 0.44 -0.08 0.27 0.00 0.48 0.00 0.00 55.95 57.06 2d9i s SER 95 Cb -0.20 -0.32 1.62 0.00 0.10 0.00 0.00 66.02 67.23 2d9i s SER 95 CO 0.24 -0.06 1.97 0.61 0.98 0.00 0.00 173.24 176.99