#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 -0.75 0.18 1.61 0.87 -2.08 -3.22 113.55 110.16 2d9i h SER 2 Ca 0.00 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 2d9i h SER 2 Cb 0.00 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2d9i h SER 2 CO 0.00 -0.38 -0.09 0.28 -0.53 0.00 0.00 176.83 176.12 2d9i h SER 3 N -0.53 -0.21 0.00 6.23 0.02 -2.11 -3.48 113.55 113.47 2d9i h SER 3 Ca 0.01 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2d9i h SER 3 Cb 0.52 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2d9i h SER 3 CO -0.10 0.31 0.00 0.61 -1.14 0.00 0.00 176.83 176.51 2d9i n GLY 4 N 0.43 1.40 3.91 -3.77 0.00 -1.22 -5.18 105.19 100.76 2d9i n GLY 4 Ca -0.08 0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 4.91 -0.36 1.61 0.01 -1.26 -5.01 113.70 113.60 2d9i s SER 5 Ca 0.00 -0.93 -0.28 0.00 1.31 0.00 0.00 55.95 56.04 2d9i s SER 5 Cb 0.00 -0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.14 2d9i s SER 5 CO 0.00 -0.91 1.07 -0.55 0.41 0.00 0.00 173.24 173.26 2d9i s SER 6 N -4.26 6.83 0.24 2.44 0.15 -1.26 -4.93 113.70 112.91 2d9i s SER 6 Ca 0.45 0.85 0.09 0.00 0.70 0.00 0.00 55.95 58.05 2d9i s SER 6 Cb -0.03 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 2d9i s SER 6 CO 0.27 -0.96 -0.04 -0.83 1.20 0.00 0.00 173.24 172.88 2d9i s GLY 7 N 1.86 1.69 -0.14 9.45 0.00 -1.26 -5.12 107.32 113.81 2d9i s GLY 7 Ca 0.45 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.56 2d9i s GLY 7 CO 0.19 -1.66 -0.13 1.62 0.00 0.00 0.00 173.10 173.13 2d9i s GLN 8 N -3.40 2.14 0.31 2.90 2.00 -1.26 -5.00 119.66 117.36 2d9i s GLN 8 Ca 0.29 -0.52 0.18 0.00 -2.00 0.00 0.00 55.36 53.31 2d9i s GLN 8 Cb -0.07 -2.03 1.15 0.00 0.80 0.00 0.00 33.01 32.86 2d9i s GLN 8 CO 0.18 -0.25 1.35 0.09 -0.50 0.00 0.00 175.29 176.15 2d9i n ASN 9 N 4.80 0.30 -4.69 6.67 4.13 -1.26 -4.00 115.26 121.20 2d9i n ASN 9 Ca -0.16 1.41 -0.39 0.00 1.68 0.00 0.00 54.58 57.12 2d9i n ASN 9 Cb 0.50 -0.69 -0.05 0.00 -1.54 0.00 0.00 39.78 37.99 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 -5.30 5.07 -0.28 2.41 0.11 -1.26 -3.77 120.40 117.38 2d9i s VAL 10 Ca -0.08 1.22 -0.08 0.00 -2.93 0.00 0.00 61.98 60.11 2d9i s VAL 10 Cb 0.29 -3.95 -0.01 0.00 -1.53 0.00 0.00 36.38 31.18 2d9i s VAL 10 CO 0.66 0.20 0.10 -0.22 -3.33 0.00 0.00 175.10 172.52 2d9i s LEU 11 N 1.27 3.77 -0.56 2.54 2.96 -0.17 -5.00 118.68 123.49 2d9i s LEU 11 Ca 0.31 -0.43 -0.28 0.00 -0.22 0.00 0.00 54.13 53.51 2d9i s LEU 11 Cb -0.16 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.62 2d9i s LEU 11 CO 0.13 -0.13 1.15 1.51 -1.32 0.00 0.00 176.35 177.69 2d9i s ASP 12 N 1.59 6.45 0.00 3.68 -4.77 -1.26 -2.61 116.67 119.75 2d9i s ASP 12 Ca 0.05 0.08 0.05 0.00 -3.30 0.00 0.00 52.55 49.43 2d9i s ASP 12 Cb -0.16 -2.54 -0.24 0.00 -1.09 0.00 0.00 42.92 38.89 2d9i s ASP 12 CO 0.04 -1.42 0.83 -0.07 0.70 0.00 0.00 175.17 175.26 2d9i h LEU 13 N 11.70 0.15 -9.28 2.11 3.38 -1.10 -3.47 115.31 118.80 2d9i h LEU 13 Ca -0.25 -0.24 -0.65 0.00 0.09 0.00 0.00 57.88 56.83 2d9i h LEU 13 Cb 1.06 -0.05 0.03 0.00 0.09 0.00 0.00 40.66 41.79 2d9i h LEU 13 CO 1.16 1.20 0.90 0.00 0.09 0.00 0.00 178.44 181.80 2d9i n HIS 14 N -3.27 2.13 0.00 1.13 1.44 -0.71 -1.80 115.22 114.15 2d9i n HIS 14 Ca -0.14 0.29 0.00 0.00 -2.01 0.00 0.00 57.72 55.85 2d9i n HIS 14 Cb 1.02 -2.54 0.00 0.00 0.12 0.00 0.00 29.99 28.60 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 3.90 1.19 3.96 -1.39 0.00 -1.26 -5.07 105.19 106.53 2d9i n GLY 15 Ca 0.22 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 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 2.89 0.08 0.99 1.43 -0.74 -5.08 118.68 118.25 2d9i s LEU 16 Ca 0.00 -0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 52.95 2d9i s LEU 16 Cb 0.00 -2.33 -0.06 0.00 0.03 0.00 0.00 46.19 43.83 2d9i s LEU 16 CO 0.00 -2.00 0.44 -2.28 0.23 0.00 0.00 176.35 172.74 2d9i s HIS 17 N -3.34 3.63 0.15 0.29 5.65 -1.26 -4.81 115.29 115.59 2d9i s HIS 17 Ca 0.67 0.91 -0.15 0.00 0.25 0.00 0.00 55.06 56.74 2d9i s HIS 17 Cb -0.06 -2.25 0.11 0.00 -1.18 0.00 0.00 32.58 29.20 2d9i s HIS 17 CO 0.46 0.52 1.09 0.28 -0.65 0.00 0.00 174.74 176.44 2d9i n VAL 18 N 1.09 -0.40 -0.10 0.89 0.31 -1.26 0.13 118.33 118.99 2d9i n VAL 18 Ca -0.09 1.66 -0.06 0.00 -0.01 0.00 0.00 64.34 65.84 2d9i n VAL 18 Cb 0.52 -2.15 0.00 0.00 -0.91 0.00 0.00 33.84 31.31 2d9i n VAL 18 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2d9i h ASP 19 N 0.00 -0.31 0.65 4.52 1.82 -1.96 -0.26 116.42 120.88 2d9i h ASP 19 Ca 0.21 0.10 -0.03 0.00 -0.39 0.00 0.00 57.03 56.92 2d9i h ASP 19 Cb 0.38 0.21 0.01 0.00 0.68 0.00 0.00 39.33 40.61 2d9i h ASP 19 CO -0.69 -0.11 -0.31 -0.33 -1.61 0.00 0.00 179.24 176.20 2d9i h GLU 20 N 0.01 -0.84 -0.74 0.28 4.39 0.65 -2.08 114.58 116.25 2d9i h GLU 20 Ca 0.17 0.06 0.16 0.00 0.34 0.00 0.00 59.36 60.08 2d9i h GLU 20 Cb 0.25 0.19 -0.13 0.00 -0.10 0.00 0.00 28.75 28.96 2d9i h GLU 20 CO -0.35 -0.53 -0.06 0.00 -1.16 0.00 0.00 179.01 176.91 2d9i h ALA 21 N -0.69 0.67 0.54 3.43 0.00 -0.14 0.33 119.26 123.39 2d9i h ALA 21 Ca -0.09 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2d9i h ALA 21 Cb 0.70 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2d9i h ALA 21 CO 0.15 -0.42 -0.34 -0.07 0.00 0.00 0.00 179.25 178.56 2d9i h LEU 22 N 0.06 -0.86 -1.01 0.00 3.38 -0.96 0.19 115.31 116.11 2d9i h LEU 22 Ca 0.39 0.05 0.29 0.00 0.09 0.00 0.00 57.88 58.70 2d9i h LEU 22 Cb 0.65 0.25 -0.14 0.00 0.09 0.00 0.00 40.66 41.51 2d9i h LEU 22 CO -0.69 -0.52 0.58 -0.33 0.09 0.00 0.00 178.44 177.58 2d9i h GLU 23 N -0.82 0.42 -0.25 1.13 5.08 -0.75 0.23 114.58 119.61 2d9i h GLU 23 Ca -0.07 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 2d9i h GLU 23 Cb 0.66 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2d9i h GLU 23 CO 0.07 0.27 -0.15 0.45 -1.00 0.00 0.00 179.01 178.65 2d9i h HIS 24 N 0.43 0.64 -0.62 4.33 3.86 -0.59 -1.99 115.15 121.21 2d9i h HIS 24 Ca 0.70 -0.17 0.14 0.00 -1.16 0.00 0.00 60.37 59.88 2d9i h HIS 24 Cb 1.50 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 29.79 2d9i h HIS 24 CO -0.01 0.82 0.43 1.25 0.86 0.00 0.00 177.93 181.29 2d9i h LEU 25 N 0.27 0.19 0.06 2.43 5.85 0.26 0.63 115.31 124.99 2d9i h LEU 25 Ca 0.05 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 2d9i h LEU 25 Cb 0.67 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.67 2d9i h LEU 25 CO 0.04 0.10 -0.03 0.24 -0.34 0.00 0.00 178.44 178.46 2d9i h MET 26 N 0.21 -0.07 -0.88 1.25 2.86 -1.19 -2.16 114.93 114.95 2d9i h MET 26 Ca 0.30 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 58.13 2d9i h MET 26 Cb 0.88 0.02 -0.11 0.00 0.06 0.00 0.00 31.60 32.45 2d9i h MET 26 CO -0.06 0.10 0.42 0.00 1.06 0.00 0.00 176.91 178.44 2d9i h ARG 27 N -1.01 0.50 -0.15 1.72 3.08 -1.07 0.99 114.38 118.44 2d9i h ARG 27 Ca -0.01 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 59.85 2d9i h ARG 27 Cb 0.21 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2d9i h ARG 27 CO 0.01 0.33 -0.58 -0.39 -1.07 0.00 0.00 179.97 178.27 2d9i h VAL 28 N 0.51 1.34 -0.52 2.04 -1.51 -1.01 0.12 116.25 117.23 2d9i h VAL 28 Ca 0.52 -1.86 0.10 0.00 -1.23 0.00 0.00 66.70 64.22 2d9i h VAL 28 Cb 0.88 1.85 -0.03 0.00 -2.13 0.00 0.00 31.29 31.85 2d9i h VAL 28 CO -0.45 0.57 0.35 -0.07 -1.23 0.00 0.00 177.57 176.75 2d9i h LEU 29 N 0.37 0.26 0.00 4.19 3.38 -0.12 0.47 115.31 123.86 2d9i h LEU 29 Ca 0.00 0.01 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 2d9i h LEU 29 Cb 1.12 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.77 2d9i h LEU 29 CO 0.11 0.16 -2.03 -1.84 0.09 0.00 0.00 178.44 174.93 2d9i n GLU 30 N -4.46 0.58 -0.13 1.13 0.28 -0.93 -3.80 120.64 113.31 2d9i n GLU 30 Ca 0.08 0.39 0.08 0.00 -0.16 0.00 0.00 57.16 57.55 2d9i n GLU 30 Cb 0.38 -1.60 0.41 0.00 1.43 0.00 0.00 31.44 32.06 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 -0.98 0.60 0.40 3.44 1.63 -0.67 0.45 116.57 121.45 2d9i h LYS 31 Ca -0.56 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.18 2d9i h LYS 31 Cb 1.50 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 33.00 2d9i h LYS 31 CO -0.33 0.40 -0.19 0.87 -3.45 0.00 0.00 179.45 176.74 2d9i h LYS 32 N 0.62 -0.52 -0.51 1.90 1.79 -0.25 -3.25 116.57 116.36 2d9i h LYS 32 Ca 0.29 0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.82 2d9i h LYS 32 Cb 0.33 0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 31.07 2d9i h LYS 32 CO -0.09 -0.34 0.34 0.00 -1.08 0.00 0.00 179.45 178.27 2d9i h THR 33 N -0.74 1.06 -1.10 -0.16 1.03 -1.63 -2.37 112.91 109.00 2d9i h THR 33 Ca -0.05 -0.20 0.40 0.00 -0.01 0.00 0.00 66.41 66.55 2d9i h THR 33 Cb 0.41 0.43 -0.16 0.00 -1.07 0.00 0.00 68.15 67.76 2d9i h THR 33 CO 0.09 0.11 0.64 -0.33 -0.01 0.00 0.00 175.52 176.02 2d9i h GLU 34 N 0.58 0.10 0.19 0.00 5.08 -0.11 0.56 114.58 120.98 2d9i h GLU 34 Ca 0.20 -0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 58.26 2d9i h GLU 34 Cb 0.09 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.34 2d9i h GLU 34 CO -0.05 0.06 -1.36 0.93 -1.00 0.00 0.00 179.01 177.59 2d9i h GLU 35 N 0.10 0.41 -0.33 2.33 4.39 -1.52 -3.31 114.58 116.65 2d9i h GLU 35 Ca 0.82 -0.70 0.02 0.00 0.34 0.00 0.00 59.36 59.84 2d9i h GLU 35 Cb 2.22 0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 31.12 2d9i h GLU 35 CO -0.63 1.34 0.22 0.35 -1.16 0.00 0.00 179.01 179.13 2d9i h PHE 36 N -0.06 0.34 0.51 4.33 3.57 -0.09 2.07 116.94 127.62 2d9i h PHE 36 Ca -0.25 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.24 2d9i h PHE 36 Cb 1.97 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 40.59 2d9i h PHE 36 CO 0.14 0.21 -0.32 0.87 -2.23 0.00 0.00 178.31 176.97 2d9i h LYS 37 N 0.36 -0.77 0.00 1.11 1.57 -0.45 -3.01 116.57 115.38 2d9i h LYS 37 Ca 0.13 0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.82 2d9i h LYS 37 Cb 0.08 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2d9i h LYS 37 CO -0.03 -0.51 -1.32 0.94 -0.57 0.00 0.00 179.45 177.96 2d9i n GLN 38 N -5.46 0.53 0.10 3.15 7.27 -1.05 -4.74 117.38 117.19 2d9i n GLN 38 Ca -0.12 0.32 -0.04 0.00 0.07 0.00 0.00 57.00 57.24 2d9i n GLN 38 Cb 0.35 -1.53 -0.02 0.00 2.41 0.00 0.00 30.24 31.45 2d9i n GLN 38 CO 0.00 0.00 0.00 -0.97 0.07 0.00 0.00 177.06 176.16 2d9i h ASN 39 N -1.00 -0.22 -4.45 1.69 -1.24 0.28 -3.50 115.58 107.14 2d9i h ASN 39 Ca -0.21 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.81 2d9i h ASN 39 Cb 1.09 0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.20 2d9i h ASN 39 CO -0.13 -0.14 0.00 0.61 -1.29 0.00 0.00 177.43 176.48 2d9i n GLY 40 N -0.75 2.44 0.00 1.57 0.00 0.17 -4.90 105.19 103.72 2d9i n GLY 40 Ca -0.03 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.55 0.26 3.73 -0.02 0.00 -1.26 -3.88 105.19 102.45 2d9i n GLY 41 Ca 0.00 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.00 4.61 0.00 1.61 3.01 -1.26 -4.91 119.74 120.80 2d9i s LYS 42 Ca 0.00 1.55 0.11 0.00 -1.01 0.00 0.00 55.97 56.62 2d9i s LYS 42 Cb 0.00 -3.37 0.64 0.00 -1.01 0.00 0.00 37.83 34.09 2d9i s LYS 42 CO 0.00 0.07 1.08 -0.35 0.51 0.00 0.00 175.35 176.66 2d9i n PRO 43 N 3.06 0.49 -4.35 -1.68 -0.04 -1.26 -4.72 135.00 126.49 2d9i n PRO 43 Ca 0.04 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.32 2d9i n PRO 43 Cb 0.48 -1.34 -0.10 0.00 -0.04 0.00 0.00 33.50 32.50 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 1.64 -0.07 0.54 1.13 -1.26 0.33 117.35 117.66 2d9i s TYR 44 Ca 0.16 -0.84 0.02 0.00 -1.41 0.00 0.00 57.07 54.99 2d9i s TYR 44 Cb 0.07 -0.94 0.02 0.00 -1.10 0.00 0.00 41.96 40.01 2d9i s TYR 44 CO 0.12 0.06 -0.10 -1.17 -2.51 0.00 0.00 175.55 171.95 2d9i s LEU 45 N -3.33 1.54 -0.12 -3.49 2.96 -0.62 -4.80 118.68 110.82 2d9i s LEU 45 Ca 0.28 -0.27 -0.25 0.00 -0.22 0.00 0.00 54.13 53.66 2d9i s LEU 45 Cb 0.05 -0.76 -0.02 0.00 0.50 0.00 0.00 46.19 45.96 2d9i s LEU 45 CO 0.09 0.00 0.82 -0.44 -1.32 0.00 0.00 176.35 175.50 2d9i s SER 46 N 0.82 7.02 -0.07 3.68 0.01 -1.25 -2.99 113.70 120.92 2d9i s SER 46 Ca -0.12 1.24 0.03 0.00 1.31 0.00 0.00 55.95 58.42 2d9i s SER 46 Cb -0.15 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2d9i s SER 46 CO 0.02 -0.31 -0.17 -0.69 0.41 0.00 0.00 173.24 172.50 2d9i s VAL 47 N 1.67 1.47 -0.26 3.43 1.01 -0.91 -1.00 120.40 125.81 2d9i s VAL 47 Ca 0.40 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.71 2d9i s VAL 47 Cb -0.17 -1.29 0.06 0.00 0.00 0.00 0.00 36.38 34.97 2d9i s VAL 47 CO 0.16 0.43 -0.10 -0.63 0.00 0.00 0.00 175.10 174.95 2d9i s ILE 48 N 0.37 2.25 -0.18 2.22 1.01 -1.07 -0.13 121.20 125.66 2d9i s ILE 48 Ca -0.12 -1.59 -0.08 0.00 0.00 0.00 0.00 60.65 58.85 2d9i s ILE 48 Cb -0.15 -2.31 -0.22 0.00 0.01 0.00 0.00 42.46 39.79 2d9i s ILE 48 CO 0.05 -0.02 0.14 0.35 0.00 0.00 0.00 174.94 175.45 2d9i n THR 49 N 4.45 1.65 -4.68 2.92 -2.24 -1.24 -0.48 114.28 114.67 2d9i n THR 49 Ca -0.14 -0.50 -0.30 0.00 -2.27 0.00 0.00 64.05 60.84 2d9i n THR 49 Cb 0.42 -1.73 -0.07 0.00 -2.10 0.00 0.00 70.33 66.85 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 1.89 3.52 3.28 3.38 0.00 -1.23 -3.44 105.19 112.58 2d9i n GLY 50 Ca -0.37 -2.31 -0.21 0.00 0.00 0.00 0.00 46.02 43.13 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 -3.71 1.12 0.09 1.61 3.00 -1.26 -4.73 118.95 115.08 2d9i s ARG 51 Ca 0.04 -1.26 -0.18 0.00 -1.00 0.00 0.00 55.73 53.33 2d9i s ARG 51 Cb 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 34.95 33.73 2d9i s ARG 51 CO 0.03 0.25 0.96 0.41 0.00 0.00 0.00 175.30 176.95 2d9i n GLY 52 N 0.66 -1.69 3.72 8.12 0.00 -1.26 -4.18 105.19 110.56 2d9i n GLY 52 Ca -0.16 0.73 -0.42 0.00 0.00 0.00 0.00 46.02 46.17 2d9i n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d9i s ASN 53 N -5.15 6.72 -0.13 1.61 4.22 -1.26 -4.91 114.94 116.05 2d9i s ASN 53 Ca -0.07 2.46 0.11 0.00 -2.14 0.00 0.00 52.86 53.22 2d9i s ASN 53 Cb 0.07 -2.59 -0.16 0.00 1.28 0.00 0.00 41.25 39.84 2d9i s ASN 53 CO 0.37 -0.72 0.03 0.00 -2.04 0.00 0.00 177.10 174.74 2d9i n HIS 54 N 3.81 0.00 -0.31 1.54 1.44 -1.26 -4.55 115.22 115.89 2d9i n HIS 54 Ca 0.12 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.98 2d9i n HIS 54 Cb 0.41 -0.66 0.33 0.00 0.12 0.00 0.00 29.99 30.19 2d9i n HIS 54 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2d9i h SER 55 N 0.00 0.22 -1.55 4.39 4.64 -1.95 0.27 113.55 119.57 2d9i h SER 55 Ca -0.36 0.18 0.50 0.00 -0.47 0.00 0.00 61.79 61.64 2d9i h SER 55 Cb 1.81 0.20 -0.12 0.00 -0.31 0.00 0.00 62.40 63.98 2d9i h SER 55 CO 0.02 -0.10 1.04 0.00 -0.87 0.00 0.00 176.83 176.92 2d9i n GLN 56 N -5.13 -0.02 0.00 4.77 10.64 -1.26 -4.32 117.38 122.05 2d9i n GLN 56 Ca 0.24 1.17 0.00 0.00 -1.83 0.00 0.00 57.00 56.58 2d9i n GLN 56 Cb 0.74 -2.43 0.00 0.00 -0.86 0.00 0.00 30.24 27.69 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 -1.64 -0.25 0.00 2.61 0.00 0.77 -5.11 105.19 101.57 2d9i n GLY 57 Ca 0.41 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 1.03 2.18 3.90 -0.02 0.00 -0.14 -5.08 105.19 107.06 2d9i n GLY 58 Ca 0.00 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 2d9i n GLY 58 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2d9i s VAL 59 N 0.00 5.21 -0.02 1.61 -7.23 -1.26 -5.01 120.40 113.69 2d9i s VAL 59 Ca 0.00 0.01 0.03 0.00 -1.81 0.00 0.00 61.98 60.21 2d9i s VAL 59 Cb 0.00 -3.62 -0.00 0.00 0.56 0.00 0.00 36.38 33.32 2d9i s VAL 59 CO 0.00 0.11 -0.10 0.00 -0.31 0.00 0.00 175.10 174.80 2d9i s ALA 60 N -1.58 0.91 -0.69 1.32 0.00 -1.26 -5.01 121.76 115.44 2d9i s ALA 60 Ca 0.38 -0.41 0.06 0.00 0.00 0.00 0.00 51.96 52.00 2d9i s ALA 60 Cb -0.12 -0.29 0.10 0.00 0.00 0.00 0.00 23.12 22.81 2d9i s ALA 60 CO 0.24 0.18 0.88 -2.13 0.00 0.00 0.00 175.76 174.92 2d9i n ARG 61 N 3.08 1.09 -0.03 0.00 0.63 -1.26 -4.60 116.66 115.57 2d9i n ARG 61 Ca -0.16 -1.25 -0.01 0.00 -0.92 0.00 0.00 57.85 55.51 2d9i n ARG 61 Cb 0.55 -1.13 -0.00 0.00 0.45 0.00 0.00 32.46 32.32 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 1.21 0.00 -0.59 5.15 2.04 -1.95 -3.27 117.51 120.11 2d9i h ILE 62 Ca 0.00 -0.49 0.12 0.00 1.00 0.00 0.00 64.86 65.49 2d9i h ILE 62 Cb 0.41 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.38 2d9i h ILE 62 CO 0.00 0.00 -0.11 0.50 0.00 0.00 0.00 178.15 178.54 2d9i h LYS 63 N -0.49 0.02 -0.20 2.37 3.11 -1.90 -2.08 116.57 117.40 2d9i h LYS 63 Ca 0.00 -0.00 0.03 0.00 -2.81 0.00 0.00 60.65 57.87 2d9i h LYS 63 Cb 0.08 -0.01 -0.07 0.00 -1.00 0.00 0.00 32.23 31.24 2d9i h LYS 63 CO 0.00 0.02 -0.55 -1.35 -2.81 0.00 0.00 179.45 174.76 2d9i h PRO 64 N 0.02 -0.52 -0.21 1.90 0.11 -1.81 -1.77 132.00 129.72 2d9i h PRO 64 Ca 0.29 0.04 0.06 0.00 0.11 0.00 0.00 66.00 66.49 2d9i h PRO 64 Cb 0.45 0.12 -0.06 0.00 0.11 0.00 0.00 31.00 31.61 2d9i h PRO 64 CO -0.58 -0.35 -0.21 0.00 -0.21 0.00 0.00 178.00 176.64 2d9i h ALA 65 N -0.24 -0.10 -0.77 -0.75 0.00 -1.49 -1.88 119.26 114.04 2d9i h ALA 65 Ca 0.04 0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.20 2d9i h ALA 65 Cb 0.66 0.45 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 2d9i h ALA 65 CO -0.48 -0.64 -0.03 0.28 0.00 0.00 0.00 179.25 178.37 2d9i h VAL 66 N -0.23 0.30 -0.85 0.00 2.07 -0.87 0.29 116.25 116.96 2d9i h VAL 66 Ca 0.13 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.72 2d9i h VAL 66 Cb 0.42 0.22 -0.08 0.00 -1.52 0.00 0.00 31.29 30.34 2d9i h VAL 66 CO -0.35 0.01 0.50 0.40 0.02 0.00 0.00 177.57 178.15 2d9i h ILE 67 N 0.07 0.91 -0.57 4.57 2.04 -0.50 0.24 117.51 124.27 2d9i h ILE 67 Ca 0.41 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.95 2d9i h ILE 67 Cb 0.72 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 2d9i h ILE 67 CO -0.70 0.15 0.18 0.50 0.00 0.00 0.00 178.15 178.28 2d9i h LYS 68 N 0.82 0.88 -0.34 2.37 3.64 -0.21 -2.21 116.57 121.51 2d9i h LYS 68 Ca 0.41 -0.19 -0.10 0.00 -1.27 0.00 0.00 60.65 59.51 2d9i h LYS 68 Cb 0.39 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2d9i h LYS 68 CO -0.25 0.79 -0.17 -0.92 -2.27 0.00 0.00 179.45 176.63 2d9i h TYR 69 N 0.80 0.84 0.49 1.91 5.03 -0.26 -2.43 116.97 123.34 2d9i h TYR 69 Ca 0.18 -0.21 -0.02 0.00 2.58 0.00 0.00 58.73 61.27 2d9i h TYR 69 Cb 0.28 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.35 2d9i h TYR 69 CO 0.02 0.93 -0.41 -0.07 -1.32 0.00 0.00 178.16 177.31 2d9i h LEU 70 N 0.51 -1.11 -0.79 2.82 3.38 -0.42 -2.58 115.31 117.12 2d9i h LEU 70 Ca 0.08 0.08 0.14 0.00 0.09 0.00 0.00 57.88 58.27 2d9i h LEU 70 Cb 0.72 0.35 -0.10 0.00 0.09 0.00 0.00 40.66 41.72 2d9i h LEU 70 CO 0.05 -0.57 0.35 0.40 0.09 0.00 0.00 178.44 178.76 2d9i h ILE 71 N -0.88 0.68 -1.01 1.22 2.04 -1.47 0.43 117.51 118.52 2d9i h ILE 71 Ca -0.06 -0.17 0.23 0.00 1.00 0.00 0.00 64.86 65.85 2d9i h ILE 71 Cb 0.74 0.13 -0.11 0.00 -0.74 0.00 0.00 36.82 36.85 2d9i h ILE 71 CO -0.01 0.09 0.62 0.28 0.00 0.00 0.00 178.15 179.13 2d9i h SER 72 N 0.50 0.64 -0.03 1.72 0.02 -1.11 0.38 113.55 115.67 2d9i h SER 72 Ca 0.43 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 2d9i h SER 72 Cb 0.65 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2d9i h SER 72 CO -0.39 0.16 -0.11 1.41 -1.14 0.00 0.00 176.83 176.76 2d9i n HIS 73 N -4.75 0.00 -3.02 3.45 8.25 0.03 -4.97 115.22 114.21 2d9i n HIS 73 Ca 0.25 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.58 2d9i n HIS 73 Cb 0.72 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.88 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 0.99 -3.20 -4.69 0.41 2.88 0.13 -4.98 113.62 105.15 2d9i n SER 74 Ca 0.12 -0.36 -0.42 0.00 -1.33 0.00 0.00 58.87 56.89 2d9i n SER 74 Cb 0.55 -3.35 -0.03 0.00 -0.75 0.00 0.00 64.21 60.63 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 -3.21 3.53 0.16 0.66 0.08 0.06 -4.96 117.98 114.30 2d9i s PHE 75 Ca 0.16 1.45 -0.30 0.00 0.12 0.00 0.00 56.93 58.36 2d9i s PHE 75 Cb -0.07 -3.05 -0.07 0.00 -0.57 0.00 0.00 43.02 39.25 2d9i s PHE 75 CO 0.45 -0.13 1.16 0.50 -0.10 0.00 0.00 175.22 177.10 2d9i s ARG 76 N 1.63 4.52 0.09 0.44 6.06 -1.26 -4.63 118.95 125.80 2d9i s ARG 76 Ca 0.44 1.80 -0.26 0.00 -2.50 0.00 0.00 55.73 55.21 2d9i s ARG 76 Cb -0.18 -3.27 0.08 0.00 0.06 0.00 0.00 34.95 31.64 2d9i s ARG 76 CO 0.18 -0.05 0.83 -0.59 -2.50 0.00 0.00 175.30 173.18 2d9i s PHE 77 N 0.02 -0.32 -0.17 5.12 -0.71 -1.26 -1.46 117.98 119.20 2d9i s PHE 77 Ca 0.52 0.11 -0.07 0.00 -1.04 0.00 0.00 56.93 56.45 2d9i s PHE 77 Cb -0.31 0.58 0.07 0.00 -1.21 0.00 0.00 43.02 42.16 2d9i s PHE 77 CO 0.35 -0.73 0.37 -1.12 -1.34 0.00 0.00 175.22 172.75 2d9i s SER 78 N -2.68 -0.20 -0.51 1.98 0.01 -0.34 -5.00 113.70 106.96 2d9i s SER 78 Ca 0.06 0.85 -0.27 0.00 1.31 0.00 0.00 55.95 57.90 2d9i s SER 78 Cb -0.01 0.98 -0.01 0.00 0.21 0.00 0.00 66.02 67.19 2d9i s SER 78 CO -0.06 -0.22 1.76 -0.70 0.41 0.00 0.00 173.24 174.43 2d9i s GLU 79 N 2.14 2.97 -0.08 12.44 2.12 -1.26 -3.48 118.70 133.55 2d9i s GLU 79 Ca -0.04 0.84 0.17 0.00 0.36 0.00 0.00 54.97 56.29 2d9i s GLU 79 Cb -0.11 -4.28 -0.23 0.00 0.26 0.00 0.00 34.13 29.77 2d9i s GLU 79 CO -0.12 -2.32 0.44 0.44 -0.54 0.00 0.00 175.26 173.17 2d9i n ILE 80 N 7.21 1.28 -4.16 -3.70 -5.35 -1.26 -4.97 119.36 108.43 2d9i n ILE 80 Ca 0.20 -0.77 -0.15 0.00 -0.27 0.00 0.00 62.75 61.76 2d9i n ILE 80 Cb 0.50 -0.64 -0.11 0.00 -1.74 0.00 0.00 39.64 37.65 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 -2.71 0.79 0.00 6.28 -0.14 -1.25 -5.02 119.74 117.70 2d9i s LYS 81 Ca -0.07 -1.06 0.09 0.00 -1.36 0.00 0.00 55.97 53.58 2d9i s LYS 81 Cb 0.08 -0.54 0.55 0.00 -1.68 0.00 0.00 37.83 36.24 2d9i s LYS 81 CO 0.83 0.09 1.00 -0.35 -0.76 0.00 0.00 175.35 176.16 2d9i n PRO 82 N 0.84 0.49 -0.71 -1.68 -0.04 -1.26 -2.71 135.00 129.92 2d9i n PRO 82 Ca -0.18 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2d9i n PRO 82 Cb 0.57 -1.30 -0.01 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.75 3.10 0.55 0.00 -1.26 -4.89 105.19 103.42 2d9i n GLY 83 Ca 0.07 -0.12 -0.12 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 0.73 2.78 -0.45 0.00 1.43 0.81 -3.74 118.68 120.25 2d9i s LEU 85 Ca -0.05 -0.40 -0.17 0.00 -1.03 0.00 0.00 54.13 52.49 2d9i s LEU 85 Cb -0.06 -1.68 0.04 0.00 0.03 0.00 0.00 46.19 44.52 2d9i s LEU 85 CO -0.04 0.03 0.43 -0.75 0.23 0.00 0.00 176.35 176.24 2d9i s LYS 86 N 1.17 3.04 -0.27 1.70 2.47 -1.23 -2.15 119.74 124.47 2d9i s LYS 86 Ca 0.02 -1.01 -0.03 0.00 -1.56 0.00 0.00 55.97 53.38 2d9i s LYS 86 Cb -0.14 -4.04 0.03 0.00 -1.46 0.00 0.00 37.83 32.21 2d9i s LYS 86 CO -0.02 -0.94 -0.01 0.08 0.16 0.00 0.00 175.35 174.62 2d9i s VAL 87 N 1.97 3.20 0.17 4.02 1.01 -1.16 -1.19 120.40 128.42 2d9i s VAL 87 Ca 0.09 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 2d9i s VAL 87 Cb -0.20 -2.69 -0.08 0.00 0.00 0.00 0.00 36.38 33.42 2d9i s VAL 87 CO 0.10 0.09 1.25 -0.04 0.00 0.00 0.00 175.10 176.50 2d9i s MET 88 N 1.36 4.44 -0.06 2.72 1.00 -0.54 -1.58 119.30 126.64 2d9i s MET 88 Ca -0.00 1.93 -0.30 0.00 0.00 0.00 0.00 55.69 57.32 2d9i s MET 88 Cb -0.18 -3.24 -0.04 0.00 0.00 0.00 0.00 34.83 31.37 2d9i s MET 88 CO -0.02 -0.19 1.42 -0.51 0.00 0.00 0.00 175.02 175.72 2d9i s LEU 89 N 0.09 4.28 -0.06 -0.03 1.43 0.15 -4.54 118.68 120.01 2d9i s LEU 89 Ca 0.56 2.02 -0.05 0.00 -1.03 0.00 0.00 54.13 55.63 2d9i s LEU 89 Cb -0.34 -3.55 -0.28 0.00 0.03 0.00 0.00 46.19 42.06 2d9i s LEU 89 CO 0.36 -0.77 0.62 0.07 0.23 0.00 0.00 176.35 176.86 2d9i h LYS 90 N 8.33 0.27 -6.13 1.70 2.10 -1.93 -3.46 116.57 117.45 2d9i h LYS 90 Ca -0.35 -0.46 -0.43 0.00 -2.00 0.00 0.00 60.65 57.40 2d9i h LYS 90 Cb 1.16 0.17 0.03 0.00 -0.90 0.00 0.00 32.23 32.69 2d9i h LYS 90 CO 0.93 1.14 -0.79 -1.13 -2.00 0.00 0.00 179.45 177.60 2d9i n SER 91 N -3.46 -3.10 -2.75 7.07 3.41 -1.26 -4.94 113.62 108.60 2d9i n SER 91 Ca -0.24 -0.77 -0.05 0.00 -0.26 0.00 0.00 58.87 57.55 2d9i n SER 91 Cb 1.06 -4.14 0.03 0.00 -0.26 0.00 0.00 64.21 60.90 2d9i n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d9i n GLY 92 N -1.64 -0.48 3.67 5.00 0.00 -1.26 -5.13 105.19 105.35 2d9i n GLY 92 Ca -0.14 0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 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 0.78 4.21 -0.01 1.61 0.04 -1.26 -5.01 135.00 135.36 2d9i s PRO 93 Ca 0.30 2.01 -0.01 0.00 0.04 0.00 0.00 61.00 63.34 2d9i s PRO 93 Cb 0.10 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.80 2d9i s PRO 93 CO -0.13 -0.76 0.02 -1.12 0.04 0.00 0.00 177.00 175.05 2d9i s SER 94 N 2.70 -0.02 -0.21 6.66 0.01 -1.26 -5.14 113.70 116.45 2d9i s SER 94 Ca 0.67 0.05 0.02 0.00 1.31 0.00 0.00 55.95 57.99 2d9i s SER 94 Cb -0.30 0.04 0.04 0.00 0.21 0.00 0.00 66.02 66.01 2d9i s SER 94 CO 0.25 -0.02 -0.15 -0.55 0.41 0.00 0.00 173.24 173.18 2d9i s SER 95 N 0.10 3.56 0.00 2.44 0.15 -1.26 -5.13 113.70 113.55 2d9i s SER 95 Ca -0.01 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 55.73 2d9i s SER 95 Cb -0.01 -1.45 0.00 0.00 -1.71 0.00 0.00 66.02 62.85 2d9i s SER 95 CO -0.00 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.96