#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9i h SER 2 N 0.00 0.02 -4.19 1.61 4.64 -2.14 -3.40 113.55 110.10 2d9i h SER 2 Ca 0.00 0.16 -0.58 0.00 -0.47 0.00 0.00 61.79 60.91 2d9i h SER 2 Cb 0.00 0.22 -0.30 0.00 -0.31 0.00 0.00 62.40 62.01 2d9i h SER 2 CO 0.00 -0.07 -0.84 -0.44 -0.87 0.00 0.00 176.83 174.60 2d9i s SER 3 N -5.20 2.26 0.00 4.97 0.01 -1.26 -5.05 113.70 109.43 2d9i s SER 3 Ca -0.12 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.78 2d9i s SER 3 Cb 0.23 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.06 2d9i s SER 3 CO 0.76 0.21 0.00 0.61 0.41 0.00 0.00 173.24 175.23 2d9i n GLY 4 N 2.81 0.24 2.99 3.44 0.00 -1.26 -5.15 105.19 108.26 2d9i n GLY 4 Ca -0.16 0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 2d9i n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d9i s SER 5 N 1.63 1.39 -0.08 1.61 0.01 -1.26 -5.14 113.70 111.86 2d9i s SER 5 Ca 0.00 -0.22 -0.01 0.00 1.31 0.00 0.00 55.95 57.03 2d9i s SER 5 Cb 0.00 -0.55 -0.03 0.00 0.21 0.00 0.00 66.02 65.65 2d9i s SER 5 CO 0.00 0.03 -0.03 -0.55 0.41 0.00 0.00 173.24 173.10 2d9i s SER 6 N 0.53 4.96 -0.41 2.44 0.15 -1.26 -5.02 113.70 115.09 2d9i s SER 6 Ca -0.09 0.06 -0.37 0.00 0.70 0.00 0.00 55.95 56.24 2d9i s SER 6 Cb -0.13 -1.35 -0.16 0.00 -1.71 0.00 0.00 66.02 62.68 2d9i s SER 6 CO 0.02 0.36 1.46 0.61 1.20 0.00 0.00 173.24 176.89 2d9i n GLY 7 N 2.22 0.05 3.40 9.45 0.00 -1.26 -4.92 105.19 114.14 2d9i n GLY 7 Ca -0.18 0.85 -0.23 0.00 0.00 0.00 0.00 46.02 46.46 2d9i n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2d9i s GLN 8 N 3.33 1.48 -0.16 1.61 -1.52 -1.26 -5.05 119.66 118.09 2d9i s GLN 8 Ca 0.90 -1.59 0.14 0.00 -1.95 0.00 0.00 55.36 52.86 2d9i s GLN 8 Cb -1.22 -1.55 -0.19 0.00 -0.22 0.00 0.00 33.01 29.82 2d9i s GLN 8 CO 0.62 0.30 0.05 0.09 -0.25 0.00 0.00 175.29 176.11 2d9i n ASN 9 N -0.15 1.10 -4.68 5.90 4.13 -1.26 -4.93 115.26 115.37 2d9i n ASN 9 Ca -0.09 -0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.77 2d9i n ASN 9 Cb 0.58 0.88 -0.06 0.00 -1.54 0.00 0.00 39.78 39.65 2d9i n ASN 9 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2d9i s VAL 10 N -2.38 5.09 -0.21 2.41 0.11 -1.26 -3.75 120.40 120.41 2d9i s VAL 10 Ca -0.08 1.06 -0.05 0.00 -2.93 0.00 0.00 61.98 59.97 2d9i s VAL 10 Cb 0.05 -3.88 -0.03 0.00 -1.53 0.00 0.00 36.38 30.99 2d9i s VAL 10 CO 0.65 0.19 0.01 -0.22 -3.33 0.00 0.00 175.10 172.40 2d9i s LEU 11 N 1.45 3.31 -0.39 2.54 2.96 0.96 -4.97 118.68 124.54 2d9i s LEU 11 Ca 0.27 -0.19 -0.22 0.00 -0.22 0.00 0.00 54.13 53.77 2d9i s LEU 11 Cb -0.16 -1.85 0.01 0.00 0.50 0.00 0.00 46.19 44.70 2d9i s LEU 11 CO 0.11 0.06 0.72 1.51 -1.32 0.00 0.00 176.35 177.42 2d9i s ASP 12 N 1.05 6.45 0.05 3.68 1.47 -1.26 -1.42 116.67 126.68 2d9i s ASP 12 Ca 0.02 0.09 0.16 0.00 1.18 0.00 0.00 52.55 54.00 2d9i s ASP 12 Cb -0.14 -2.36 -0.14 0.00 -0.34 0.00 0.00 42.92 39.93 2d9i s ASP 12 CO 0.02 -0.74 0.83 -0.07 0.68 0.00 0.00 175.17 175.89 2d9i h LEU 13 N 9.71 0.00 -9.32 2.11 3.38 0.43 -3.47 115.31 118.15 2d9i h LEU 13 Ca -0.25 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.07 2d9i h LEU 13 Cb 1.10 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.89 2d9i h LEU 13 CO 0.90 0.65 0.81 0.00 0.09 0.00 0.00 178.44 180.89 2d9i n HIS 14 N -2.94 2.06 0.00 1.13 1.44 0.44 -1.88 115.22 115.47 2d9i n HIS 14 Ca -0.10 0.34 0.00 0.00 -2.01 0.00 0.00 57.72 55.95 2d9i n HIS 14 Cb 0.87 -2.51 0.00 0.00 0.12 0.00 0.00 29.99 28.47 2d9i n HIS 14 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2d9i n GLY 15 N 3.61 0.83 3.98 -1.39 0.00 -1.26 -4.98 105.19 105.98 2d9i n GLY 15 Ca 0.21 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 2.93 0.08 0.99 1.43 -0.79 -5.09 118.68 118.24 2d9i s LEU 16 Ca 0.00 -0.26 -0.08 0.00 -1.03 0.00 0.00 54.13 52.75 2d9i s LEU 16 Cb 0.00 -2.03 -0.06 0.00 0.03 0.00 0.00 46.19 44.13 2d9i s LEU 16 CO 0.00 -1.99 0.38 -2.28 0.23 0.00 0.00 176.35 172.68 2d9i s HIS 17 N -3.26 3.56 0.16 0.29 5.65 -1.26 -4.82 115.29 115.61 2d9i s HIS 17 Ca 0.67 0.71 -0.12 0.00 0.25 0.00 0.00 55.06 56.57 2d9i s HIS 17 Cb -0.05 -2.10 0.17 0.00 -1.18 0.00 0.00 32.58 29.42 2d9i s HIS 17 CO 0.46 0.51 1.09 0.28 -0.65 0.00 0.00 174.74 176.43 2d9i n VAL 18 N 0.74 -0.37 -0.05 0.89 0.31 -1.26 0.13 118.33 118.72 2d9i n VAL 18 Ca -0.07 1.65 -0.08 0.00 -0.01 0.00 0.00 64.34 65.83 2d9i n VAL 18 Cb 0.52 -2.18 -0.02 0.00 -0.91 0.00 0.00 33.84 31.25 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 -0.15 0.29 4.52 3.32 -1.93 -2.21 116.42 120.26 2d9i h ASP 19 Ca 0.25 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 2d9i h ASP 19 Cb 0.42 0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 2d9i h ASP 19 CO -0.70 -0.05 -0.17 -0.33 -1.72 0.00 0.00 179.24 176.27 2d9i h GLU 20 N 0.03 -0.42 -0.85 3.56 3.07 0.70 -2.45 114.58 118.22 2d9i h GLU 20 Ca 0.11 0.03 0.19 0.00 -0.50 0.00 0.00 59.36 59.19 2d9i h GLU 20 Cb 0.15 0.10 -0.16 0.00 -0.84 0.00 0.00 28.75 27.99 2d9i h GLU 20 CO -0.20 -0.28 -0.12 0.00 -1.40 0.00 0.00 179.01 177.01 2d9i n ALA 21 N -2.31 0.29 0.27 3.43 0.00 0.08 -0.17 120.51 122.11 2d9i n ALA 21 Ca -0.05 0.92 -0.18 0.00 0.00 0.00 0.00 53.44 54.13 2d9i n ALA 21 Cb 0.18 -0.60 -0.10 0.00 0.00 0.00 0.00 19.45 18.93 2d9i n ALA 21 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2d9i h LEU 22 N 0.00 -1.37 -0.60 0.00 3.38 -1.23 0.37 115.31 115.86 2d9i h LEU 22 Ca 0.45 0.12 0.12 0.00 0.09 0.00 0.00 57.88 58.66 2d9i h LEU 22 Cb 0.79 0.46 -0.10 0.00 0.09 0.00 0.00 40.66 41.90 2d9i h LEU 22 CO -0.84 -0.64 -0.02 -0.33 0.09 0.00 0.00 178.44 176.69 2d9i h GLU 23 N -0.95 0.09 -0.79 1.13 5.08 -0.07 0.30 114.58 119.36 2d9i h GLU 23 Ca -0.05 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2d9i h GLU 23 Cb 0.84 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 2d9i h GLU 23 CO -0.09 0.06 0.36 0.45 -1.00 0.00 0.00 179.01 178.79 2d9i h HIS 24 N 0.10 1.16 -0.74 4.33 3.86 -0.82 -1.44 115.15 121.60 2d9i h HIS 24 Ca 0.31 -0.07 0.06 0.00 -1.16 0.00 0.00 60.37 59.51 2d9i h HIS 24 Cb 0.50 -0.36 -0.05 0.00 1.06 0.00 0.00 27.41 28.57 2d9i h HIS 24 CO -0.38 0.86 0.49 1.25 0.86 0.00 0.00 177.93 181.00 2d9i h LEU 25 N 1.13 0.70 0.03 2.43 5.85 0.18 0.23 115.31 125.85 2d9i h LEU 25 Ca 0.27 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 2d9i h LEU 25 Cb 0.15 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2d9i h LEU 25 CO -0.03 0.46 -0.01 0.24 -0.34 0.00 0.00 178.44 178.75 2d9i h MET 26 N 0.80 -0.04 -0.45 1.25 2.86 -0.79 -1.83 114.93 116.73 2d9i h MET 26 Ca 0.32 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.99 2d9i h MET 26 Cb 0.23 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 2d9i h MET 26 CO -0.10 0.64 0.23 0.00 1.06 0.00 0.00 176.91 178.74 2d9i h ARG 27 N -0.78 0.45 0.00 1.72 2.47 -0.99 -1.68 114.38 115.56 2d9i h ARG 27 Ca -0.00 -0.03 -0.08 0.00 -1.26 0.00 0.00 59.98 58.61 2d9i h ARG 27 Cb 0.70 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.90 2d9i h ARG 27 CO 0.01 0.29 -0.40 -0.39 0.56 0.00 0.00 179.97 180.04 2d9i h VAL 28 N 0.46 1.28 -0.37 2.04 -1.51 -0.65 0.52 116.25 118.02 2d9i h VAL 28 Ca 0.19 -1.36 -0.06 0.00 -1.23 0.00 0.00 66.70 64.23 2d9i h VAL 28 Cb 0.09 1.74 -0.02 0.00 -2.13 0.00 0.00 31.29 30.96 2d9i h VAL 28 CO -0.13 0.39 -0.05 -0.07 -1.23 0.00 0.00 177.57 176.49 2d9i h LEU 29 N 0.00 0.57 0.00 4.19 3.38 -0.43 0.46 115.31 123.48 2d9i h LEU 29 Ca -0.00 -0.13 -0.32 0.00 0.09 0.00 0.00 57.88 57.52 2d9i h LEU 29 Cb 0.70 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 2d9i h LEU 29 CO 0.05 0.67 -2.06 -0.62 0.09 0.00 0.00 178.44 176.57 2d9i n GLU 30 N -4.23 0.66 -0.03 1.13 1.02 -0.88 -3.99 120.64 114.31 2d9i n GLU 30 Ca 0.01 0.11 -0.08 0.00 -0.02 0.00 0.00 57.16 57.19 2d9i n GLU 30 Cb 0.29 -1.64 -0.07 0.00 -0.02 0.00 0.00 31.44 30.00 2d9i n GLU 30 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2d9i h LYS 31 N 0.00 -0.06 -0.02 3.49 1.63 0.11 -3.26 116.57 118.46 2d9i h LYS 31 Ca -0.41 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.41 2d9i h LYS 31 Cb 2.08 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 33.69 2d9i h LYS 31 CO 0.05 0.44 -0.26 0.87 -3.45 0.00 0.00 179.45 177.09 2d9i h LYS 32 N -0.97 -0.30 -0.36 1.90 1.79 -0.26 0.16 116.57 118.54 2d9i h LYS 32 Ca -0.01 0.02 0.10 0.00 -2.18 0.00 0.00 60.65 58.59 2d9i h LYS 32 Cb 0.52 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 2d9i h LYS 32 CO 0.01 -0.20 0.81 0.00 -1.08 0.00 0.00 179.45 178.99 2d9i h THR 33 N -0.31 0.07 -0.29 -0.16 1.03 -1.69 0.37 112.91 111.93 2d9i h THR 33 Ca 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.39 2d9i h THR 33 Cb 0.34 0.27 -0.01 0.00 -1.07 0.00 0.00 68.15 67.68 2d9i h THR 33 CO -0.19 0.00 0.13 -0.08 -0.01 0.00 0.00 175.52 175.37 2d9i h GLU 34 N 0.00 0.42 0.00 0.00 4.57 -0.71 -2.38 114.58 116.49 2d9i h GLU 34 Ca 0.17 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.22 2d9i h GLU 34 Cb 1.78 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 30.29 2d9i h GLU 34 CO -0.00 0.43 -0.29 1.05 -1.18 0.00 0.00 179.01 179.02 2d9i h GLU 35 N 0.32 0.00 -0.38 1.92 4.11 -0.24 -1.41 114.58 118.90 2d9i h GLU 35 Ca 0.10 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.43 2d9i h GLU 35 Cb 0.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2d9i h GLU 35 CO -0.01 0.29 -0.15 0.35 0.07 0.00 0.00 179.01 179.56 2d9i h PHE 36 N 0.00 0.76 0.06 2.06 3.57 -1.14 0.38 116.94 122.63 2d9i h PHE 36 Ca -0.00 -0.14 -0.31 0.00 3.53 0.00 0.00 57.97 61.05 2d9i h PHE 36 Cb 1.09 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 2d9i h PHE 36 CO 0.00 0.80 -1.68 1.63 -2.23 0.00 0.00 178.31 176.83 2d9i n LYS 37 N -4.15 0.66 0.24 1.11 5.02 -0.93 -2.67 118.16 117.44 2d9i n LYS 37 Ca 0.01 0.41 -0.14 0.00 -2.02 0.00 0.00 58.31 56.57 2d9i n LYS 37 Cb 0.38 -1.72 -0.08 0.00 -0.02 0.00 0.00 35.03 33.59 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 -0.47 -0.61 0.00 1.97 4.20 -1.32 -3.40 115.11 115.48 2d9i h GLN 38 Ca -0.40 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.35 2d9i h GLN 38 Cb 1.67 0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.59 2d9i h GLN 38 CO -0.08 -0.30 -0.10 -0.97 -0.67 0.00 0.00 178.83 176.72 2d9i h ASN 39 N -0.94 0.00 0.00 1.46 -1.24 -0.87 -3.50 115.58 110.49 2d9i h ASN 39 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.95 2d9i h ASN 39 Cb 0.59 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.64 2d9i h ASN 39 CO 0.11 0.20 0.00 0.61 -1.29 0.00 0.00 177.43 177.05 2d9i n GLY 40 N 1.79 3.23 0.00 1.57 0.00 0.10 -4.98 105.19 106.89 2d9i n GLY 40 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 4.44 3.78 -0.02 0.00 -1.09 -4.86 105.19 107.44 2d9i n GLY 41 Ca 0.00 -1.16 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 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 1.10 4.29 0.00 1.61 3.01 -1.26 -4.92 119.74 123.57 2d9i s LYS 42 Ca 0.00 1.51 0.15 0.00 -1.01 0.00 0.00 55.97 56.63 2d9i s LYS 42 Cb 0.00 -2.65 0.90 0.00 -1.01 0.00 0.00 37.83 35.07 2d9i s LYS 42 CO 0.00 -0.03 1.36 -0.35 0.51 0.00 0.00 175.35 176.84 2d9i n PRO 43 N 0.17 0.44 -4.61 -1.68 -0.04 -1.26 -4.75 135.00 123.27 2d9i n PRO 43 Ca 0.04 0.03 -0.28 0.00 -0.04 0.00 0.00 63.50 63.24 2d9i n PRO 43 Cb 0.49 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 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 1.86 -0.06 0.54 -0.85 -1.26 -2.81 117.35 112.67 2d9i s TYR 44 Ca 0.22 -1.11 -0.02 0.00 -0.52 0.00 0.00 57.07 55.63 2d9i s TYR 44 Cb 0.11 -1.37 0.04 0.00 0.38 0.00 0.00 41.96 41.12 2d9i s TYR 44 CO 0.19 -0.04 0.10 -1.17 -1.52 0.00 0.00 175.55 173.10 2d9i s LEU 45 N -3.71 0.29 0.10 -3.49 2.96 -0.33 -4.82 118.68 109.67 2d9i s LEU 45 Ca 0.18 0.19 -0.25 0.00 -0.22 0.00 0.00 54.13 54.03 2d9i s LEU 45 Cb 0.03 0.08 -0.07 0.00 0.50 0.00 0.00 46.19 46.73 2d9i s LEU 45 CO 0.10 -0.22 0.76 -0.44 -1.32 0.00 0.00 176.35 175.24 2d9i s SER 46 N 1.91 7.28 -0.09 3.68 0.01 -1.25 -2.39 113.70 122.86 2d9i s SER 46 Ca 0.00 1.53 -0.02 0.00 1.31 0.00 0.00 55.95 58.77 2d9i s SER 46 Cb -0.12 -2.48 0.04 0.00 0.21 0.00 0.00 66.02 63.67 2d9i s SER 46 CO -0.04 0.11 0.04 -0.69 0.41 0.00 0.00 173.24 173.06 2d9i s VAL 47 N -0.55 0.16 -0.50 3.43 1.01 -0.77 -0.03 120.40 123.15 2d9i s VAL 47 Ca 0.37 0.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.28 2d9i s VAL 47 Cb -0.22 -0.46 0.05 0.00 0.00 0.00 0.00 36.38 35.76 2d9i s VAL 47 CO 0.24 0.11 0.63 -0.63 0.00 0.00 0.00 175.10 175.45 2d9i s ILE 48 N 2.05 4.87 0.15 2.22 1.09 -0.51 -0.60 121.20 130.47 2d9i s ILE 48 Ca 0.04 -0.41 -0.10 0.00 -1.10 0.00 0.00 60.65 59.08 2d9i s ILE 48 Cb -0.13 -4.28 -0.04 0.00 -1.06 0.00 0.00 42.46 36.94 2d9i s ILE 48 CO -0.05 -0.78 1.49 0.71 -0.10 0.00 0.00 174.94 176.21 2d9i h THR 49 N 5.86 1.27 0.00 2.92 1.35 -1.89 0.92 112.91 123.34 2d9i h THR 49 Ca -0.27 -1.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 2d9i h THR 49 Cb 1.10 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 2d9i h THR 49 CO 0.95 0.52 0.00 0.61 -0.25 0.00 0.00 175.52 177.36 2d9i n GLY 50 N 0.13 4.18 3.10 5.82 0.00 -1.26 -2.81 105.19 114.35 2d9i n GLY 50 Ca -0.02 -1.32 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 2d9i n GLY 50 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2d9i s ARG 51 N -4.71 0.31 0.00 1.61 6.06 -1.26 -4.90 118.95 116.06 2d9i s ARG 51 Ca 0.00 0.81 0.00 0.00 -2.50 0.00 0.00 55.73 54.04 2d9i s ARG 51 Cb 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 34.95 34.99 2d9i s ARG 51 CO 0.00 -0.40 0.00 0.41 -2.50 0.00 0.00 175.30 172.81 2d9i n GLY 52 N 5.38 -2.75 3.80 8.12 0.00 -1.26 -4.96 105.19 113.53 2d9i n GLY 52 Ca -0.06 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.87 2.50 -0.14 1.61 -0.87 -0.24 -4.93 114.94 110.99 2d9i s ASN 53 Ca 0.00 0.48 -0.11 0.00 -1.57 0.00 0.00 52.86 51.66 2d9i s ASN 53 Cb 0.00 -0.66 -0.04 0.00 -0.02 0.00 0.00 41.25 40.53 2d9i s ASN 53 CO 0.00 -3.14 -0.21 1.57 -2.57 0.00 0.00 177.10 172.76 2d9i n HIS 54 N -4.07 0.64 0.02 2.20 -0.00 -1.26 -3.42 115.22 109.32 2d9i n HIS 54 Ca 0.13 0.28 -0.13 0.00 0.46 0.00 0.00 57.72 58.46 2d9i n HIS 54 Cb 0.59 -0.66 -0.09 0.00 -0.12 0.00 0.00 29.99 29.71 2d9i n HIS 54 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2d9i h SER 55 N -0.92 -0.08 0.54 0.26 0.87 -2.04 -3.33 113.55 108.84 2d9i h SER 55 Ca 0.00 -0.42 -0.03 0.00 -1.23 0.00 0.00 61.79 60.11 2d9i h SER 55 Cb 0.59 0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.58 2d9i h SER 55 CO 0.00 0.40 -0.26 -0.61 -0.53 0.00 0.00 176.83 175.83 2d9i h GLN 56 N -0.59 -0.70 0.00 2.24 5.75 -2.00 -3.50 115.11 116.31 2d9i h GLN 56 Ca -0.01 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 2d9i h GLN 56 Cb 0.50 0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.21 2d9i h GLN 56 CO 0.02 -0.40 0.00 0.41 -2.65 0.00 0.00 178.83 176.21 2d9i n GLY 57 N -0.80 0.12 0.00 2.39 0.00 -1.22 -4.98 105.19 100.70 2d9i n GLY 57 Ca -0.12 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.75 3.76 -0.02 0.00 -1.26 -1.08 105.19 104.84 2d9i n GLY 58 Ca 0.00 0.73 -0.37 0.00 0.00 0.00 0.00 46.02 46.38 2d9i n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d9i s VAL 59 N 0.00 2.82 0.30 1.61 1.01 -1.26 -4.05 120.40 120.82 2d9i s VAL 59 Ca 0.00 0.56 0.02 0.00 0.00 0.00 0.00 61.98 62.56 2d9i s VAL 59 Cb 0.00 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 2d9i s VAL 59 CO 0.00 -0.06 0.30 0.00 0.00 0.00 0.00 175.10 175.34 2d9i s ALA 60 N -1.56 1.31 -1.09 5.51 0.00 -1.26 -5.05 121.76 119.62 2d9i s ALA 60 Ca 0.70 -1.78 0.17 0.00 0.00 0.00 0.00 51.96 51.05 2d9i s ALA 60 Cb -0.30 1.36 0.61 0.00 0.00 0.00 0.00 23.12 24.79 2d9i s ALA 60 CO 0.35 -0.69 1.53 0.54 0.00 0.00 0.00 175.76 177.49 2d9i n ARG 61 N -0.51 3.35 -0.00 0.00 3.00 -1.26 -4.53 116.66 116.71 2d9i n ARG 61 Ca 0.04 -2.70 -0.00 0.00 -0.01 0.00 0.00 57.85 55.18 2d9i n ARG 61 Cb 0.63 -1.73 -0.00 0.00 0.00 0.00 0.00 32.46 31.36 2d9i n ARG 61 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2d9i h ILE 62 N 3.47 0.00 -0.37 0.55 2.04 -1.93 -3.11 117.51 118.15 2d9i h ILE 62 Ca 0.00 -0.15 0.08 0.00 1.00 0.00 0.00 64.86 65.79 2d9i h ILE 62 Cb 1.26 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.26 2d9i h ILE 62 CO 0.16 0.00 -0.15 0.50 0.00 0.00 0.00 178.15 178.65 2d9i h LYS 63 N -0.17 -0.08 -0.28 2.37 3.64 -1.86 -1.40 116.57 118.78 2d9i h LYS 63 Ca -0.00 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 2d9i h LYS 63 Cb 0.01 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.77 2d9i h LYS 63 CO 0.00 -0.05 -0.46 -1.35 -2.27 0.00 0.00 179.45 175.32 2d9i h PRO 64 N -0.08 -0.41 -0.20 1.90 0.11 -1.80 -0.66 132.00 130.85 2d9i h PRO 64 Ca 0.18 0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.36 2d9i h PRO 64 Cb 0.37 0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.54 2d9i h PRO 64 CO -0.43 -0.28 -0.01 0.00 -0.21 0.00 0.00 178.00 177.07 2d9i h ALA 65 N 0.16 0.16 -0.58 -0.75 0.00 -1.41 -2.52 119.26 114.33 2d9i h ALA 65 Ca 0.09 0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.19 2d9i h ALA 65 Cb 0.62 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.42 2d9i h ALA 65 CO -0.50 -0.44 -0.01 0.28 0.00 0.00 0.00 179.25 178.58 2d9i h VAL 66 N 0.05 0.52 -0.44 0.00 2.07 -0.61 -1.15 116.25 116.69 2d9i h VAL 66 Ca 0.10 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.67 2d9i h VAL 66 Cb 0.13 0.40 -0.08 0.00 -1.52 0.00 0.00 31.29 30.22 2d9i h VAL 66 CO -0.18 0.02 -0.08 0.40 0.02 0.00 0.00 177.57 177.75 2d9i h ILE 67 N 0.11 0.58 -0.74 4.57 2.04 -0.70 0.23 117.51 123.60 2d9i h ILE 67 Ca 0.30 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 66.21 2d9i h ILE 67 Cb 0.47 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 2d9i h ILE 67 CO -0.50 0.00 0.43 0.50 0.00 0.00 0.00 178.15 178.58 2d9i h LYS 68 N 0.03 0.75 -0.47 2.37 3.64 -1.03 0.12 116.57 121.97 2d9i h LYS 68 Ca 0.22 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.44 2d9i h LYS 68 Cb 0.33 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 2d9i h LYS 68 CO -0.43 0.50 -0.16 -0.92 -2.27 0.00 0.00 179.45 176.17 2d9i h TYR 69 N 0.77 1.01 0.46 1.91 5.03 -0.49 -2.82 116.97 122.85 2d9i h TYR 69 Ca 0.33 -0.22 -0.02 0.00 2.58 0.00 0.00 58.73 61.40 2d9i h TYR 69 Cb 0.21 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.24 2d9i h TYR 69 CO -0.06 0.99 -0.22 -0.07 -1.32 0.00 0.00 178.16 177.47 2d9i h LEU 70 N 0.80 -0.52 -0.83 2.82 3.38 0.23 -3.08 115.31 118.10 2d9i h LEU 70 Ca 0.12 -0.07 0.19 0.00 0.09 0.00 0.00 57.88 58.21 2d9i h LEU 70 Cb 0.69 0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.46 2d9i h LEU 70 CO 0.05 -0.23 0.28 0.40 0.09 0.00 0.00 178.44 179.04 2d9i h ILE 71 N -0.83 0.48 -0.46 1.22 2.04 -1.03 0.59 117.51 119.53 2d9i h ILE 71 Ca -0.06 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 65.75 2d9i h ILE 71 Cb 0.56 0.12 -0.09 0.00 -0.74 0.00 0.00 36.82 36.67 2d9i h ILE 71 CO 0.10 0.06 -0.47 0.28 0.00 0.00 0.00 178.15 178.12 2d9i h SER 72 N 0.33 -1.59 -0.05 1.72 0.02 -1.41 0.58 113.55 113.16 2d9i h SER 72 Ca 0.49 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.68 2d9i h SER 72 Cb 0.90 0.68 0.00 0.00 0.14 0.00 0.00 62.40 64.12 2d9i h SER 72 CO -0.53 -0.37 0.00 1.41 -1.14 0.00 0.00 176.83 176.20 2d9i n HIS 73 N -5.40 0.06 -3.49 3.45 8.25 -0.62 -4.89 115.22 112.58 2d9i n HIS 73 Ca -0.01 -0.03 -0.20 0.00 -0.26 0.00 0.00 57.72 57.22 2d9i n HIS 73 Cb 0.35 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.54 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 -0.46 -4.48 -4.68 0.41 7.64 0.20 -4.94 113.62 107.31 2d9i n SER 74 Ca 0.14 -0.56 -0.43 0.00 1.01 0.00 0.00 58.87 59.04 2d9i n SER 74 Cb 0.14 -4.93 -0.02 0.00 -1.01 0.00 0.00 64.21 58.38 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 -3.33 3.35 0.20 1.43 0.08 -0.14 -4.97 117.98 114.61 2d9i s PHE 75 Ca 0.33 1.43 -0.30 0.00 0.12 0.00 0.00 56.93 58.51 2d9i s PHE 75 Cb -0.15 -3.29 -0.08 0.00 -0.57 0.00 0.00 43.02 38.94 2d9i s PHE 75 CO 0.71 -0.68 1.09 0.50 -0.10 0.00 0.00 175.22 176.74 2d9i s ARG 76 N 2.31 4.62 0.04 0.44 6.06 -1.26 -4.64 118.95 126.52 2d9i s ARG 76 Ca 0.50 1.72 -0.28 0.00 -2.50 0.00 0.00 55.73 55.18 2d9i s ARG 76 Cb -0.20 -3.26 0.07 0.00 0.06 0.00 0.00 34.95 31.62 2d9i s ARG 76 CO 0.17 0.12 0.66 -0.59 -2.50 0.00 0.00 175.30 173.16 2d9i s PHE 77 N -0.47 -0.60 -0.03 5.12 -0.71 -1.26 -2.27 117.98 117.76 2d9i s PHE 77 Ca 0.48 0.77 -0.01 0.00 -1.04 0.00 0.00 56.93 57.13 2d9i s PHE 77 Cb -0.30 0.48 0.03 0.00 -1.21 0.00 0.00 43.02 42.02 2d9i s PHE 77 CO 0.36 -0.71 0.03 -1.12 -1.34 0.00 0.00 175.22 172.45 2d9i s SER 78 N -1.87 0.42 -0.54 1.98 0.01 -0.70 -5.00 113.70 108.00 2d9i s SER 78 Ca -0.05 0.04 -0.27 0.00 1.31 0.00 0.00 55.95 56.97 2d9i s SER 78 Cb -0.00 -0.11 -0.00 0.00 0.21 0.00 0.00 66.02 66.11 2d9i s SER 78 CO -0.00 -0.16 1.61 -0.70 0.41 0.00 0.00 173.24 174.40 2d9i s GLU 79 N 1.38 3.10 -0.14 12.44 2.12 -1.26 -3.33 118.70 133.01 2d9i s GLU 79 Ca -0.05 0.64 0.11 0.00 0.36 0.00 0.00 54.97 56.02 2d9i s GLU 79 Cb -0.13 -4.22 -0.23 0.00 0.26 0.00 0.00 34.13 29.81 2d9i s GLU 79 CO -0.03 -2.17 0.29 0.44 -0.54 0.00 0.00 175.26 173.25 2d9i n ILE 80 N 7.04 1.54 -4.28 -3.70 -5.35 -1.26 -4.97 119.36 108.38 2d9i n ILE 80 Ca 0.16 -0.77 -0.21 0.00 -0.27 0.00 0.00 62.75 61.65 2d9i n ILE 80 Cb 0.50 -0.96 -0.12 0.00 -1.74 0.00 0.00 39.64 37.32 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 -2.54 1.12 0.00 6.28 1.02 -1.26 -5.01 119.74 119.35 2d9i s LYS 81 Ca -0.13 -1.24 0.10 0.00 0.02 0.00 0.00 55.97 54.73 2d9i s LYS 81 Cb 0.07 -1.22 0.63 0.00 -0.52 0.00 0.00 37.83 36.79 2d9i s LYS 81 CO 0.79 0.26 1.06 -0.35 -0.92 0.00 0.00 175.35 176.20 2d9i n PRO 82 N 0.72 0.49 -0.75 -1.68 -0.04 -1.26 -2.69 135.00 129.80 2d9i n PRO 82 Ca -0.17 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2d9i n PRO 82 Cb 0.55 -1.33 -0.01 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.73 3.18 0.55 0.00 -1.26 -4.92 105.19 103.46 2d9i n GLY 83 Ca 0.08 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.47 0.81 -0.28 0.00 1.43 0.23 -4.14 118.68 114.27 2d9i s LEU 85 Ca -0.00 -0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 52.86 2d9i s LEU 85 Cb 0.02 -0.44 -0.04 0.00 0.03 0.00 0.00 46.19 45.77 2d9i s LEU 85 CO -0.07 -0.15 0.35 -0.75 0.23 0.00 0.00 176.35 175.96 2d9i s LYS 86 N 1.66 3.95 -0.09 1.70 2.20 -1.21 -1.86 119.74 126.09 2d9i s LYS 86 Ca 0.00 -0.06 0.04 0.00 -0.36 0.00 0.00 55.97 55.59 2d9i s LYS 86 Cb -0.13 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.52 2d9i s LYS 86 CO -0.04 -0.30 -0.20 0.08 -0.36 0.00 0.00 175.35 174.53 2d9i s VAL 87 N 2.03 1.76 -0.15 4.02 1.01 -1.00 -1.73 120.40 126.34 2d9i s VAL 87 Ca 0.14 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 2d9i s VAL 87 Cb -0.16 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 2d9i s VAL 87 CO 0.10 0.49 1.08 -0.04 0.00 0.00 0.00 175.10 176.74 2d9i s MET 88 N 0.42 4.33 0.49 2.72 1.00 -0.96 -1.19 119.30 126.11 2d9i s MET 88 Ca -0.17 1.46 -0.22 0.00 0.00 0.00 0.00 55.69 56.76 2d9i s MET 88 Cb -0.17 -3.61 -0.07 0.00 0.00 0.00 0.00 34.83 30.99 2d9i s MET 88 CO 0.07 -0.49 1.17 -0.51 0.00 0.00 0.00 175.02 175.26 2d9i s LEU 89 N 2.64 3.93 -0.23 -0.03 1.43 -1.12 -4.72 118.68 120.57 2d9i s LEU 89 Ca 0.49 2.30 -0.19 0.00 -1.03 0.00 0.00 54.13 55.70 2d9i s LEU 89 Cb -0.19 -4.33 -0.03 0.00 0.03 0.00 0.00 46.19 41.67 2d9i s LEU 89 CO 0.14 -1.04 0.54 -0.54 0.23 0.00 0.00 176.35 175.67 2d9i s LYS 90 N -2.87 4.14 0.28 1.70 -0.14 -1.26 -4.96 119.74 116.64 2d9i s LYS 90 Ca 0.67 0.41 0.01 0.00 -1.36 0.00 0.00 55.97 55.70 2d9i s LYS 90 Cb -0.28 -3.60 0.67 0.00 -1.68 0.00 0.00 37.83 32.94 2d9i s LYS 90 CO 0.33 -0.25 1.67 0.77 -0.76 0.00 0.00 175.35 177.11 2d9i h SER 91 N 7.69 0.11 0.00 2.83 0.02 -1.95 -3.48 113.55 118.78 2d9i h SER 91 Ca -0.31 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2d9i h SER 91 Cb 1.15 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.89 2d9i h SER 91 CO 0.74 -0.08 0.00 0.61 -1.14 0.00 0.00 176.83 176.96 2d9i n GLY 92 N -1.36 0.94 0.16 -3.77 0.00 -1.26 -4.83 105.19 95.07 2d9i n GLY 92 Ca 0.20 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 45.98 2d9i n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d9i h PRO 93 N 0.00 0.00 -7.00 1.61 0.13 -2.06 -3.44 132.00 121.24 2d9i h PRO 93 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 2d9i h PRO 93 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 2d9i h PRO 93 CO 0.00 0.00 0.14 0.45 -0.23 0.00 0.00 178.00 178.36 2d9i s SER 94 N -4.53 6.05 -0.24 1.44 0.15 -1.26 -5.10 113.70 110.21 2d9i s SER 94 Ca 0.03 0.87 -0.14 0.00 0.70 0.00 0.00 55.95 57.41 2d9i s SER 94 Cb 0.09 -2.08 0.07 0.00 -1.71 0.00 0.00 66.02 62.40 2d9i s SER 94 CO 0.42 -0.74 0.59 -0.94 1.20 0.00 0.00 173.24 173.77 2d9i s SER 95 N -4.17 -0.78 0.00 5.45 1.04 -1.26 -4.77 113.70 109.20 2d9i s SER 95 Ca 0.50 1.29 0.00 0.00 0.48 0.00 0.00 55.95 58.21 2d9i s SER 95 Cb -0.10 1.17 0.00 0.00 0.10 0.00 0.00 66.02 67.19 2d9i s SER 95 CO 0.45 -0.22 0.41 0.61 0.98 0.00 0.00 173.24 175.47