#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d86 n SER 2 N 0.00 1.22 -4.59 1.61 2.88 -1.26 -4.94 113.62 108.54 2d86 n SER 2 Ca 0.00 0.98 -0.40 0.00 -1.33 0.00 0.00 58.87 58.12 2d86 n SER 2 Cb 0.00 -1.37 -0.08 0.00 -0.75 0.00 0.00 64.21 62.01 2d86 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2d86 s SER 3 N -0.85 6.35 0.00 -3.46 1.04 -1.26 -4.95 113.70 110.58 2d86 s SER 3 Ca 0.66 0.24 0.00 0.00 0.48 0.00 0.00 55.95 57.33 2d86 s SER 3 Cb -0.51 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.35 2d86 s SER 3 CO 0.55 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 175.03 2d86 n GLY 4 N 4.62 3.86 2.49 7.32 0.00 -1.26 -5.00 105.19 117.23 2d86 n GLY 4 Ca -0.05 -1.59 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 2d86 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d86 n SER 5 N 0.00 3.08 -4.59 1.61 7.64 -1.26 -5.06 113.62 115.04 2d86 n SER 5 Ca 0.00 -2.92 -0.41 0.00 1.01 0.00 0.00 58.87 56.55 2d86 n SER 5 Cb 0.00 -0.44 -0.03 0.00 -1.01 0.00 0.00 64.21 62.73 2d86 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d86 s SER 6 N -3.60 5.21 0.00 6.43 0.15 -1.26 -4.66 113.70 115.97 2d86 s SER 6 Ca 0.38 1.69 0.00 0.00 0.70 0.00 0.00 55.95 58.71 2d86 s SER 6 Cb 0.38 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 2d86 s SER 6 CO -0.02 -2.18 0.00 0.61 1.20 0.00 0.00 173.24 172.84 2d86 n GLY 7 N 5.82 0.05 3.27 9.45 0.00 -1.26 -4.84 105.19 117.68 2d86 n GLY 7 Ca 0.31 -1.84 -0.44 0.00 0.00 0.00 0.00 46.02 44.05 2d86 n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2d86 s MET 8 N -1.72 2.93 0.85 1.61 -2.45 -1.26 -5.06 119.30 114.19 2d86 s MET 8 Ca 0.00 -1.91 -0.15 0.00 -1.25 0.00 0.00 55.69 52.38 2d86 s MET 8 Cb 0.00 -4.19 -0.04 0.00 1.25 0.00 0.00 34.83 31.85 2d86 s MET 8 CO 0.00 -1.28 0.15 0.39 1.05 0.00 0.00 175.02 175.33 2d86 n GLU 9 N 4.83 0.00 0.27 4.11 -0.58 -1.26 -4.86 120.64 123.15 2d86 n GLU 9 Ca -0.06 0.03 0.16 0.00 -0.42 0.00 0.00 57.16 56.88 2d86 n GLU 9 Cb 0.41 -1.60 0.67 0.00 -0.57 0.00 0.00 31.44 30.36 2d86 n GLU 9 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2d86 h PRO 10 N -0.90 0.00 -0.39 3.49 0.13 -2.01 -2.96 132.00 129.35 2d86 h PRO 10 Ca -0.44 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.62 2d86 h PRO 10 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 2d86 h PRO 10 CO 0.35 0.04 -0.05 0.11 -0.23 0.00 0.00 178.00 178.23 2d86 h TRP 11 N 0.00 0.69 -0.87 1.56 5.08 -1.99 -2.41 115.95 118.01 2d86 h TRP 11 Ca -0.00 -0.10 0.01 0.00 1.08 0.00 0.00 58.89 59.88 2d86 h TRP 11 Cb 0.52 -0.19 -0.04 0.00 -3.00 0.00 0.00 29.16 26.45 2d86 h TRP 11 CO 0.00 0.69 0.58 0.87 -1.28 0.00 0.00 178.44 179.29 2d86 h LYS 12 N 0.61 1.14 -0.01 0.12 1.79 -1.87 -2.14 116.57 116.21 2d86 h LYS 12 Ca 0.12 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2d86 h LYS 12 Cb 0.46 -0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 30.85 2d86 h LYS 12 CO 0.02 0.75 -0.00 1.96 -1.08 0.00 0.00 179.45 181.10 2d86 h GLN 13 N 1.17 0.02 -0.46 3.15 4.20 -1.63 -3.25 115.11 118.30 2d86 h GLN 13 Ca 0.32 -0.01 0.09 0.00 0.06 0.00 0.00 58.65 59.12 2d86 h GLN 13 Cb -0.12 -0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.56 2d86 h GLN 13 CO -0.08 0.44 -0.20 0.00 -0.67 0.00 0.00 178.83 178.32 2d86 n ALA 15 N -2.94 0.57 0.40 0.00 0.00 -0.82 0.39 120.51 118.12 2d86 n ALA 15 Ca 0.03 0.80 -0.18 0.00 0.00 0.00 0.00 53.44 54.09 2d86 n ALA 15 Cb 0.30 -0.68 -0.09 0.00 0.00 0.00 0.00 19.45 18.99 2d86 n ALA 15 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2d86 h GLN 16 N 0.00 -0.98 -0.94 0.00 1.08 -1.27 -2.39 115.11 110.61 2d86 h GLN 16 Ca 0.55 0.07 0.26 0.00 -1.45 0.00 0.00 58.65 58.07 2d86 h GLN 16 Cb 1.30 0.22 -0.14 0.00 -0.05 0.00 0.00 27.48 28.82 2d86 h GLN 16 CO -0.65 -0.64 0.43 2.35 -0.95 0.00 0.00 178.83 179.37 2d86 h TRP 17 N -1.13 0.71 0.34 2.96 7.01 -0.08 0.14 115.95 125.91 2d86 h TRP 17 Ca -0.10 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 60.92 2d86 h TRP 17 Cb 0.80 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.70 2d86 h TRP 17 CO -0.01 -0.11 -0.16 -0.07 -2.79 0.00 0.00 178.44 175.30 2d86 h LEU 18 N 0.35 -0.39 -1.19 0.65 3.38 -1.14 0.40 115.31 117.37 2d86 h LEU 18 Ca 0.62 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.72 2d86 h LEU 18 Cb 1.28 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 42.06 2d86 h LEU 18 CO -0.58 -0.27 0.59 0.40 0.09 0.00 0.00 178.44 178.66 2d86 h ILE 19 N -0.46 0.91 0.00 1.22 2.04 -0.50 -0.56 117.51 120.16 2d86 h ILE 19 Ca -0.05 -0.29 -0.19 0.00 1.00 0.00 0.00 64.86 65.34 2d86 h ILE 19 Cb 0.35 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 2d86 h ILE 19 CO 0.08 0.15 -0.86 0.45 0.00 0.00 0.00 178.15 177.97 2d86 h HIS 20 N 0.84 0.18 0.00 1.37 3.86 -0.84 -3.01 115.15 117.56 2d86 h HIS 20 Ca 0.44 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 2d86 h HIS 20 Cb 0.53 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.98 2d86 h HIS 20 CO -0.00 0.92 0.00 0.00 0.86 0.00 0.00 177.93 179.71 2d86 n LYS 22 N -0.98 -3.98 0.00 0.00 4.76 -1.05 -4.79 118.16 112.12 2d86 n LYS 22 Ca 0.13 0.47 0.00 0.00 -2.87 0.00 0.00 58.31 56.04 2d86 n LYS 22 Cb 0.06 -4.38 0.00 0.00 -1.84 0.00 0.00 35.03 28.87 2d86 n LYS 22 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2d86 n VAL 23 N -3.19 0.00 -4.13 -0.18 0.24 -1.00 -4.98 118.33 105.09 2d86 n VAL 23 Ca -0.10 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.05 2d86 n VAL 23 Cb 0.57 -0.69 -0.12 0.00 -1.47 0.00 0.00 33.84 32.13 2d86 n VAL 23 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2d86 s LEU 24 N -3.43 2.24 0.96 1.34 1.43 -1.24 -4.98 118.68 115.01 2d86 s LEU 24 Ca 0.00 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.45 2d86 s LEU 24 Cb 0.00 -0.31 0.16 0.00 0.03 0.00 0.00 46.19 46.07 2d86 s LEU 24 CO 0.00 -0.13 1.09 -2.16 0.23 0.00 0.00 176.35 175.38 2d86 s PRO 25 N -1.50 0.76 0.18 1.29 0.04 -1.26 -4.22 135.00 130.29 2d86 s PRO 25 Ca -0.06 0.64 -0.01 0.00 0.04 0.00 0.00 61.00 61.62 2d86 s PRO 25 Cb -0.09 -1.77 0.06 0.00 0.04 0.00 0.00 34.50 32.74 2d86 s PRO 25 CO 0.01 -2.54 1.43 1.79 0.04 0.00 0.00 177.00 177.73 2d86 h THR 26 N -1.76 1.39 -0.71 1.26 1.35 -2.01 -3.14 112.91 109.29 2d86 h THR 26 Ca -0.52 -2.21 -0.28 0.00 -0.55 0.00 0.00 66.41 62.85 2d86 h THR 26 Cb 1.31 2.17 -0.17 0.00 -1.73 0.00 0.00 68.15 69.73 2d86 h THR 26 CO 0.56 0.66 0.31 0.59 -0.25 0.00 0.00 175.52 177.39 2d86 n ASN 27 N -3.81 4.04 -3.39 5.36 4.13 -1.26 -4.87 115.26 115.46 2d86 n ASN 27 Ca -0.04 -3.42 -0.15 0.00 1.68 0.00 0.00 54.58 52.65 2d86 n ASN 27 Cb 0.72 -0.74 0.15 0.00 -1.54 0.00 0.00 39.78 38.37 2d86 n ASN 27 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 2d86 n HIS 28 N -0.65 -2.51 0.07 3.10 -0.00 -1.19 -4.84 115.22 109.20 2d86 n HIS 28 Ca 0.44 -0.15 -0.09 0.00 0.46 0.00 0.00 57.72 58.38 2d86 n HIS 28 Cb 1.38 -1.14 -0.13 0.00 -0.12 0.00 0.00 29.99 29.98 2d86 n HIS 28 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 2d86 h ARG 29 N 0.00 0.07 0.00 1.57 0.11 -1.95 -3.20 114.38 110.98 2d86 h ARG 29 Ca -0.20 -0.12 0.00 0.00 0.10 0.00 0.00 59.98 59.76 2d86 h ARG 29 Cb 0.66 0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.79 2d86 h ARG 29 CO 0.12 1.05 0.00 -0.39 0.10 0.00 0.00 179.97 180.85 2d86 h VAL 30 N 0.02 0.00 0.00 0.08 -1.51 -1.91 -2.40 116.25 110.53 2d86 h VAL 30 Ca -0.05 -0.36 -0.09 0.00 -1.23 0.00 0.00 66.70 64.98 2d86 h VAL 30 Cb 1.83 1.25 -0.01 0.00 -2.13 0.00 0.00 31.29 32.22 2d86 h VAL 30 CO 0.15 0.00 -0.86 0.71 -1.23 0.00 0.00 177.57 176.34 2d86 h THR 31 N 0.00 0.44 -3.27 7.19 1.35 -1.88 -3.45 112.91 113.28 2d86 h THR 31 Ca 0.00 -1.71 -0.56 0.00 -0.55 0.00 0.00 66.41 63.59 2d86 h THR 31 Cb 0.40 2.03 0.19 0.00 -1.73 0.00 0.00 68.15 69.04 2d86 h THR 31 CO 0.00 0.25 -0.41 0.79 -0.25 0.00 0.00 175.52 175.89 2d86 n TRP 32 N -2.97 -0.87 0.06 4.73 7.02 -0.90 -4.88 117.44 119.61 2d86 n TRP 32 Ca -0.02 0.33 -0.02 0.00 -1.02 0.00 0.00 57.50 56.77 2d86 n TRP 32 Cb 0.70 -1.90 0.23 0.00 -2.42 0.00 0.00 31.31 27.93 2d86 n TRP 32 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 2d86 h ASP 33 N -0.59 0.37 -0.64 -0.99 3.32 -1.91 -2.72 116.42 113.26 2d86 h ASP 33 Ca -0.45 -0.13 -0.35 0.00 0.02 0.00 0.00 57.03 56.12 2d86 h ASP 33 Cb 1.34 -0.10 -0.20 0.00 0.22 0.00 0.00 39.33 40.59 2d86 h ASP 33 CO 0.41 0.66 0.45 -1.20 -1.72 0.00 0.00 179.24 177.84 2d86 n SER 34 N -4.10 4.13 -4.90 6.45 7.64 -1.26 -4.92 113.62 116.66 2d86 n SER 34 Ca -0.01 -3.08 -0.32 0.00 1.01 0.00 0.00 58.87 56.47 2d86 n SER 34 Cb 0.42 -0.78 -0.05 0.00 -1.01 0.00 0.00 64.21 62.79 2d86 n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d86 s ALA 35 N -2.17 3.83 0.07 -0.43 0.00 -1.03 -5.07 121.76 116.96 2d86 s ALA 35 Ca 0.37 -0.60 -0.03 0.00 0.00 0.00 0.00 51.96 51.71 2d86 s ALA 35 Cb 0.31 -2.08 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 2d86 s ALA 35 CO 0.06 0.69 0.04 -0.65 0.00 0.00 0.00 175.76 175.89 2d86 s GLN 36 N -2.39 0.70 0.24 0.00 -0.21 -1.26 -5.02 119.66 111.72 2d86 s GLN 36 Ca 0.37 -1.16 0.07 0.00 0.02 0.00 0.00 55.36 54.65 2d86 s GLN 36 Cb -0.13 0.25 0.72 0.00 1.00 0.00 0.00 33.01 34.85 2d86 s GLN 36 CO 0.23 -0.17 1.12 1.33 -2.12 0.00 0.00 175.29 175.68 2d86 n VAL 37 N 0.04 -0.30 0.03 1.09 0.24 -1.26 0.63 118.33 118.81 2d86 n VAL 37 Ca -0.14 1.51 -0.14 0.00 -2.04 0.00 0.00 64.34 63.54 2d86 n VAL 37 Cb 0.62 -2.31 -0.08 0.00 -1.47 0.00 0.00 33.84 30.60 2d86 n VAL 37 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 2d86 h PHE 38 N 0.00 -1.33 -1.00 6.34 3.04 -1.96 0.36 116.94 122.40 2d86 h PHE 38 Ca 0.50 0.05 0.12 0.00 3.98 0.00 0.00 57.97 62.63 2d86 h PHE 38 Cb 1.19 0.59 -0.14 0.00 2.56 0.00 0.00 35.95 40.15 2d86 h PHE 38 CO -0.21 -0.52 -0.48 -0.25 -2.02 0.00 0.00 178.31 174.83 2d86 n ASP 39 N -5.45 -0.84 0.16 0.41 9.92 0.20 0.11 116.55 121.06 2d86 n ASP 39 Ca -0.06 1.76 0.02 0.00 -0.53 0.00 0.00 54.79 55.98 2d86 n ASP 39 Cb 0.38 -0.32 0.34 0.00 -0.64 0.00 0.00 41.12 40.88 2d86 n ASP 39 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2d86 h LEU 40 N 0.00 0.08 -1.09 0.64 5.85 -1.42 -2.37 115.31 117.00 2d86 h LEU 40 Ca 0.26 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 2d86 h LEU 40 Cb 0.51 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2d86 h LEU 40 CO -0.97 0.42 -0.31 0.00 -0.34 0.00 0.00 178.44 177.25 2d86 h ALA 41 N 1.58 1.05 0.09 1.25 0.00 0.50 -3.20 119.26 120.54 2d86 h ALA 41 Ca 0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2d86 h ALA 41 Cb 0.64 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2d86 h ALA 41 CO 0.05 0.39 -0.04 1.96 0.00 0.00 0.00 179.25 181.60 2d86 h GLN 42 N 0.00 -0.12 -0.60 0.00 4.20 0.91 0.29 115.11 119.79 2d86 h GLN 42 Ca -0.00 0.01 0.18 0.00 0.06 0.00 0.00 58.65 58.89 2d86 h GLN 42 Cb 0.79 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 2d86 h GLN 42 CO 0.04 -0.08 1.00 0.00 -0.67 0.00 0.00 178.83 179.12 2d86 h THR 43 N -0.66 0.05 0.00 -0.54 1.03 -1.59 1.08 112.91 112.28 2d86 h THR 43 Ca -0.01 0.00 -0.32 0.00 -0.01 0.00 0.00 66.41 66.06 2d86 h THR 43 Cb 0.10 0.13 -0.06 0.00 -1.07 0.00 0.00 68.15 67.25 2d86 h THR 43 CO 0.02 0.00 -2.22 0.18 -0.01 0.00 0.00 175.52 173.49 2d86 n LEU 44 N -3.07 0.35 -0.33 0.00 4.77 -1.21 -4.46 117.00 113.05 2d86 n LEU 44 Ca 0.13 -0.01 0.32 0.00 -0.03 0.00 0.00 56.01 56.42 2d86 n LEU 44 Cb 1.19 0.29 0.59 0.00 -2.33 0.00 0.00 43.42 43.16 2d86 n LEU 44 CO 0.17 0.49 1.07 -0.09 -1.33 0.00 0.00 177.39 177.69 2d86 h ARG 45 N 0.00 0.01 -0.10 3.23 2.43 0.51 0.68 114.38 121.13 2d86 h ARG 45 Ca -0.48 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.71 2d86 h ARG 45 Cb 2.05 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.58 2d86 h ARG 45 CO 0.01 0.01 -0.02 0.38 -1.51 0.00 0.00 179.97 178.84 2d86 h ASP 46 N 0.01 -0.07 0.00 -3.80 2.03 -1.77 -3.41 116.42 109.41 2d86 h ASP 46 Ca 0.85 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 57.18 2d86 h ASP 46 Cb 2.26 0.05 0.00 0.00 -0.83 0.00 0.00 39.33 40.81 2d86 h ASP 46 CO -0.75 -0.02 0.00 0.61 -1.03 0.00 0.00 179.24 178.04 2d86 n GLY 47 N -1.14 1.69 0.10 7.15 0.00 0.24 -4.21 105.19 109.01 2d86 n GLY 47 Ca -0.05 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 2d86 n GLY 47 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2d86 n VAL 48 N -1.41 1.11 -0.03 1.61 0.31 -1.26 -3.69 118.33 114.97 2d86 n VAL 48 Ca 0.00 -0.45 -0.13 0.00 -0.01 0.00 0.00 64.34 63.75 2d86 n VAL 48 Cb 0.03 -1.12 -0.11 0.00 -0.91 0.00 0.00 33.84 31.73 2d86 n VAL 48 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2d86 h LEU 49 N 0.00 -0.02 -0.82 7.52 5.85 -1.88 -3.28 115.31 122.67 2d86 h LEU 49 Ca -0.43 -0.66 0.12 0.00 0.84 0.00 0.00 57.88 57.75 2d86 h LEU 49 Cb 1.71 0.01 -0.13 0.00 0.37 0.00 0.00 40.66 42.61 2d86 h LEU 49 CO -0.06 0.67 -0.33 0.18 -0.34 0.00 0.00 178.44 178.56 2d86 n LEU 50 N -4.77 -0.56 -0.30 2.25 4.77 -1.26 0.18 117.00 117.31 2d86 n LEU 50 Ca -0.09 1.44 0.04 0.00 -0.03 0.00 0.00 56.01 57.37 2d86 n LEU 50 Cb 0.34 -0.32 0.18 0.00 -2.33 0.00 0.00 43.42 41.29 2d86 n LEU 50 CO 0.32 -1.28 1.14 0.00 -1.33 0.00 0.00 177.39 176.24 2d86 h GLN 52 N 0.79 0.29 -0.88 0.00 4.20 0.18 -2.79 115.11 116.89 2d86 h GLN 52 Ca 0.41 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 59.19 2d86 h GLN 52 Cb 0.40 -0.06 -0.11 0.00 0.30 0.00 0.00 27.48 28.01 2d86 h GLN 52 CO -0.26 0.19 -0.51 -0.11 -0.67 0.00 0.00 178.83 177.47 2d86 n LEU 53 N -5.02 -0.91 -0.10 1.46 7.94 -0.68 0.14 117.00 119.85 2d86 n LEU 53 Ca 0.02 1.56 -0.07 0.00 -1.11 0.00 0.00 56.01 56.41 2d86 n LEU 53 Cb 0.15 -0.21 0.00 0.00 0.53 0.00 0.00 43.42 43.89 2d86 n LEU 53 CO 0.26 -1.28 0.97 -0.07 -1.11 0.00 0.00 177.39 176.17 2d86 h LEU 54 N 0.00 0.25 -2.06 -1.96 3.38 -1.58 -1.01 115.31 112.32 2d86 h LEU 54 Ca 0.15 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.24 2d86 h LEU 54 Cb 0.37 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2d86 h LEU 54 CO -0.83 0.18 0.35 0.78 0.09 0.00 0.00 178.44 179.01 2d86 h ASN 55 N 0.35 0.00 0.06 -0.43 2.35 -0.04 0.24 115.58 118.11 2d86 h ASN 55 Ca 0.14 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.77 2d86 h ASN 55 Cb 0.05 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.44 2d86 h ASN 55 CO -0.10 0.00 -0.50 0.78 -1.65 0.00 0.00 177.43 175.96 2d86 h ASN 56 N 0.00 0.33 0.30 5.81 2.35 0.63 -3.38 115.58 121.63 2d86 h ASN 56 Ca 0.17 -0.90 -0.01 0.00 -0.55 0.00 0.00 56.30 55.01 2d86 h ASN 56 Cb 0.86 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.13 2d86 h ASN 56 CO -0.00 1.20 -0.14 -0.07 -1.65 0.00 0.00 177.43 176.77 2d86 h LEU 57 N -0.49 -0.34 -9.42 1.61 3.38 -0.59 -3.46 115.31 106.01 2d86 h LEU 57 Ca -0.08 -0.20 -0.58 0.00 0.09 0.00 0.00 57.88 57.11 2d86 h LEU 57 Cb 1.34 0.09 -0.12 0.00 0.09 0.00 0.00 40.66 42.06 2d86 h LEU 57 CO 0.10 0.07 -0.69 -0.60 0.09 0.00 0.00 178.44 177.40 2d86 s ARG 58 N -4.35 2.09 0.15 1.13 3.52 0.73 -4.90 118.95 117.33 2d86 s ARG 58 Ca -0.14 -1.47 -0.08 0.00 -0.13 0.00 0.00 55.73 53.92 2d86 s ARG 58 Cb 0.02 -2.07 -0.06 0.00 -1.56 0.00 0.00 34.95 31.28 2d86 s ARG 58 CO 0.51 0.37 0.43 0.00 -0.81 0.00 0.00 175.30 175.81 2d86 s ALA 59 N -2.23 3.71 -1.54 6.12 0.00 -1.26 -4.03 121.76 122.53 2d86 s ALA 59 Ca 0.30 -0.43 -0.05 0.00 0.00 0.00 0.00 51.96 51.78 2d86 s ALA 59 Cb -0.07 -2.26 0.01 0.00 0.00 0.00 0.00 23.12 20.81 2d86 s ALA 59 CO 0.18 0.60 0.52 0.72 0.00 0.00 0.00 175.76 177.77 2d86 n HIS 60 N 0.23 -1.84 0.05 0.00 8.25 -1.26 -4.90 115.22 115.75 2d86 n HIS 60 Ca -0.03 0.45 -0.20 0.00 -0.26 0.00 0.00 57.72 57.68 2d86 n HIS 60 Cb 0.52 -4.24 -0.15 0.00 1.12 0.00 0.00 29.99 27.24 2d86 n HIS 60 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2d86 h SER 61 N -1.17 0.47 -3.16 0.41 0.02 -1.88 -3.46 113.55 104.78 2d86 h SER 61 Ca -0.51 -0.94 -0.18 0.00 -0.84 0.00 0.00 61.79 59.32 2d86 h SER 61 Cb 1.36 -0.15 -0.30 0.00 0.14 0.00 0.00 62.40 63.45 2d86 h SER 61 CO 0.56 1.42 -0.45 -0.63 -1.14 0.00 0.00 176.83 176.59 2d86 s ILE 62 N -2.44 -0.16 -0.56 3.27 1.01 -1.26 -4.80 121.20 116.27 2d86 s ILE 62 Ca -0.14 0.17 -0.28 0.00 0.00 0.00 0.00 60.65 60.40 2d86 s ILE 62 Cb 0.01 -0.46 0.02 0.00 0.01 0.00 0.00 42.46 42.04 2d86 s ILE 62 CO 0.83 0.07 1.32 0.21 0.00 0.00 0.00 174.94 177.36 2d86 s ASN 63 N 1.64 6.28 0.47 3.58 2.47 -1.26 -4.87 114.94 123.25 2d86 s ASN 63 Ca -0.06 0.25 0.32 0.00 0.42 0.00 0.00 52.86 53.79 2d86 s ASN 63 Cb -0.10 -2.55 1.44 0.00 -1.45 0.00 0.00 41.25 38.59 2d86 s ASN 63 CO -0.10 -1.59 1.67 -0.07 -3.72 0.00 0.00 177.10 173.29 2d86 h LEU 64 N 12.52 0.20 -0.81 3.21 3.38 -1.99 1.05 115.31 132.86 2d86 h LEU 64 Ca -0.26 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 2d86 h LEU 64 Cb 1.08 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 2d86 h LEU 64 CO 1.18 -0.08 0.18 0.11 0.09 0.00 0.00 178.44 179.92 2d86 h LYS 65 N 0.11 1.07 0.00 1.13 1.79 -2.03 -2.37 116.57 116.27 2d86 h LYS 65 Ca 0.76 -0.24 -0.02 0.00 -2.18 0.00 0.00 60.65 58.97 2d86 h LYS 65 Cb 2.54 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 33.04 2d86 h LYS 65 CO -0.26 0.94 -0.08 0.93 -1.08 0.00 0.00 179.45 179.89 2d86 h GLU 66 N 1.02 0.00 -5.67 3.15 4.39 0.77 -3.42 114.58 114.82 2d86 h GLU 66 Ca 0.22 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 59.25 2d86 h GLU 66 Cb 0.34 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.91 2d86 h GLU 66 CO -0.00 0.08 -0.49 0.96 -1.16 0.00 0.00 179.01 178.40 2d86 s ILE 67 N -4.87 5.41 -0.54 3.13 -4.36 -0.89 -5.00 121.20 114.08 2d86 s ILE 67 Ca -0.05 0.16 -0.28 0.00 -0.26 0.00 0.00 60.65 60.22 2d86 s ILE 67 Cb 0.16 -3.36 0.01 0.00 1.25 0.00 0.00 42.46 40.53 2d86 s ILE 67 CO 0.68 0.61 1.40 0.20 0.24 0.00 0.00 174.94 178.07 2d86 s ASN 68 N -1.05 6.17 0.12 4.36 0.01 -1.26 -4.88 114.94 118.41 2d86 s ASN 68 Ca 0.15 0.35 -0.30 0.00 -0.71 0.00 0.00 52.86 52.35 2d86 s ASN 68 Cb -0.12 -2.55 -0.06 0.00 0.41 0.00 0.00 41.25 38.93 2d86 s ASN 68 CO 0.04 -1.66 0.98 -0.76 -1.51 0.00 0.00 177.10 174.19 2d86 s LEU 69 N 5.93 4.50 -0.65 0.60 1.43 -1.26 -3.95 118.68 125.28 2d86 s LEU 69 Ca 0.53 1.83 -0.02 0.00 -1.03 0.00 0.00 54.13 55.45 2d86 s LEU 69 Cb -0.11 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 2d86 s LEU 69 CO 0.26 -0.08 0.55 -1.14 0.23 0.00 0.00 176.35 176.17 2d86 n ARG 70 N 2.71 -2.58 0.00 1.70 0.63 -1.26 -4.90 116.66 112.96 2d86 n ARG 70 Ca 0.02 0.49 0.07 0.00 -0.92 0.00 0.00 57.85 57.52 2d86 n ARG 70 Cb 0.49 -4.22 0.39 0.00 0.45 0.00 0.00 32.46 29.57 2d86 n ARG 70 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2d86 n PRO 71 N -2.65 0.27 -4.24 -0.14 -0.04 -1.25 -4.86 135.00 122.09 2d86 n PRO 71 Ca -0.10 0.11 -0.37 0.00 -0.04 0.00 0.00 63.50 63.10 2d86 n PRO 71 Cb 0.58 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 2d86 n PRO 71 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2d86 n GLN 72 N -1.22 -3.02 -3.29 0.54 6.02 -1.26 -0.13 117.38 115.02 2d86 n GLN 72 Ca 0.08 0.36 -0.17 0.00 -0.01 0.00 0.00 57.00 57.26 2d86 n GLN 72 Cb 0.10 -5.09 0.07 0.00 1.02 0.00 0.00 30.24 26.34 2d86 n GLN 72 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2d86 n MET 73 N -4.36 -6.03 -3.01 -1.09 2.81 -1.26 -4.95 117.12 99.22 2d86 n MET 73 Ca 0.08 0.70 -0.44 0.00 -1.81 0.00 0.00 57.70 56.23 2d86 n MET 73 Cb 0.49 -5.31 -0.04 0.00 -0.71 0.00 0.00 33.22 27.64 2d86 n MET 73 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2d86 s SER 74 N -3.74 6.18 0.14 7.83 0.01 0.82 -4.94 113.70 120.00 2d86 s SER 74 Ca 0.22 -1.23 -0.18 0.00 1.31 0.00 0.00 55.95 56.07 2d86 s SER 74 Cb -0.10 -2.35 0.06 0.00 0.21 0.00 0.00 66.02 63.84 2d86 s SER 74 CO 0.61 -1.23 1.12 1.67 0.41 0.00 0.00 173.24 175.82 2d86 n GLN 75 N 6.85 -0.25 -0.05 12.44 7.27 -1.26 0.10 117.38 142.48 2d86 n GLN 75 Ca -0.07 1.10 -0.10 0.00 0.07 0.00 0.00 57.00 58.00 2d86 n GLN 75 Cb 0.44 -1.63 -0.04 0.00 2.41 0.00 0.00 30.24 31.42 2d86 n GLN 75 CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.06 177.48 2d86 h PHE 76 N 0.00 -1.06 0.30 3.69 3.57 -1.98 0.03 116.94 121.49 2d86 h PHE 76 Ca 0.18 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 2d86 h PHE 76 Cb 0.36 0.50 0.00 0.00 2.79 0.00 0.00 35.95 39.61 2d86 h PHE 76 CO -0.69 -0.43 -0.14 -0.07 -2.23 0.00 0.00 178.31 174.74 2d86 h LEU 77 N -0.38 -0.34 -0.73 0.59 3.38 -0.41 -2.83 115.31 114.59 2d86 h LEU 77 Ca 0.12 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.19 2d86 h LEU 77 Cb 0.58 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.32 2d86 h LEU 77 CO -0.46 -0.17 -0.36 0.00 0.09 0.00 0.00 178.44 177.54 2d86 h LEU 79 N 0.00 -1.24 0.06 0.00 3.38 -1.06 -0.22 115.31 116.23 2d86 h LEU 79 Ca 0.18 0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.34 2d86 h LEU 79 Cb 0.36 0.50 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 2d86 h LEU 79 CO -0.70 -0.42 -0.30 0.50 0.09 0.00 0.00 178.44 177.61 2d86 h LYS 80 N -0.50 -0.46 -0.06 1.13 3.11 0.06 -2.82 116.57 117.03 2d86 h LYS 80 Ca 0.07 0.03 0.01 0.00 -2.81 0.00 0.00 60.65 57.95 2d86 h LYS 80 Cb 0.62 0.11 -0.03 0.00 -1.00 0.00 0.00 32.23 31.93 2d86 h LYS 80 CO -0.36 -0.31 -0.21 -0.91 -2.81 0.00 0.00 179.45 174.85 2d86 h ASN 81 N -0.48 -0.67 -0.72 4.20 4.21 -0.18 -1.90 115.58 120.04 2d86 h ASN 81 Ca 0.05 0.08 0.13 0.00 1.21 0.00 0.00 56.30 57.77 2d86 h ASN 81 Cb 0.54 0.26 -0.13 0.00 -1.12 0.00 0.00 38.32 37.88 2d86 h ASN 81 CO -0.21 -0.19 -0.23 -0.38 -1.29 0.00 0.00 177.43 175.13 2d86 n ILE 82 N -3.68 -0.34 0.00 2.81 5.41 -0.13 0.94 119.36 124.37 2d86 n ILE 82 Ca -0.02 1.67 -0.10 0.00 1.00 0.00 0.00 62.75 65.30 2d86 n ILE 82 Cb 0.15 -2.26 -0.03 0.00 -0.71 0.00 0.00 39.64 36.78 2d86 n ILE 82 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2d86 h ARG 83 N 0.00 -0.31 -1.00 0.38 3.08 -1.10 -1.46 114.38 113.97 2d86 h ARG 83 Ca 0.30 0.02 0.37 0.00 0.07 0.00 0.00 59.98 60.74 2d86 h ARG 83 Cb 0.48 0.07 -0.18 0.00 0.08 0.00 0.00 29.97 30.42 2d86 h ARG 83 CO -0.73 -0.21 0.36 1.15 -1.07 0.00 0.00 179.97 179.47 2d86 h THR 84 N -0.32 0.01 0.23 2.04 2.02 0.10 -0.49 112.91 116.49 2d86 h THR 84 Ca 0.10 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 2d86 h THR 84 Cb 0.47 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 2d86 h THR 84 CO -0.31 0.00 -0.11 0.15 0.37 0.00 0.00 175.52 175.62 2d86 h PHE 85 N 0.00 -0.28 -1.52 3.16 3.57 -1.11 -2.92 116.94 117.85 2d86 h PHE 85 Ca 0.76 -0.01 0.44 0.00 3.53 0.00 0.00 57.97 62.70 2d86 h PHE 85 Cb 1.89 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 40.66 2d86 h PHE 85 CO -0.19 -0.18 1.19 -0.07 -2.23 0.00 0.00 178.31 176.84 2d86 h LEU 86 N -0.36 0.00 0.51 0.59 3.38 -1.02 0.20 115.31 118.61 2d86 h LEU 86 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2d86 h LEU 86 Cb 0.23 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.99 2d86 h LEU 86 CO 0.05 0.00 -0.25 0.74 0.09 0.00 0.00 178.44 179.07 2d86 h THR 87 N 0.00 0.41 -0.92 0.22 2.02 -0.97 -3.07 112.91 110.60 2d86 h THR 87 Ca 0.72 -0.34 0.15 0.00 0.77 0.00 0.00 66.41 67.71 2d86 h THR 87 Cb 3.09 0.53 -0.08 0.00 -1.74 0.00 0.00 68.15 69.96 2d86 h THR 87 CO -0.01 0.05 0.59 0.00 0.37 0.00 0.00 175.52 176.52 2d86 h ALA 88 N -0.58 1.80 -0.85 6.16 0.00 -0.43 0.85 119.26 126.21 2d86 h ALA 88 Ca -0.07 0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.11 2d86 h ALA 88 Cb 0.61 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2d86 h ALA 88 CO 0.12 -0.05 0.71 0.00 0.00 0.00 0.00 179.25 180.02 2d86 n GLU 91 N -2.27 0.46 0.20 0.00 -0.58 0.20 -3.23 120.64 115.42 2d86 n GLU 91 Ca -0.13 0.51 -0.14 0.00 -0.42 0.00 0.00 57.16 56.98 2d86 n GLU 91 Cb 0.67 -1.68 -0.08 0.00 -0.57 0.00 0.00 31.44 29.78 2d86 n GLU 91 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 2d86 h THR 92 N -1.00 0.65 0.00 2.62 2.02 0.18 -3.40 112.91 113.99 2d86 h THR 92 Ca -0.02 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.83 2d86 h THR 92 Cb 0.59 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2d86 h THR 92 CO -0.01 0.06 -0.34 0.49 0.37 0.00 0.00 175.52 176.09 2d86 n PHE 93 N -5.22 0.37 0.00 3.16 3.01 -0.79 -5.04 117.46 112.96 2d86 n PHE 93 Ca -0.10 0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.52 2d86 n PHE 93 Cb 0.26 -0.46 0.00 0.00 -0.01 0.00 0.00 39.48 39.26 2d86 n PHE 93 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2d86 n GLY 94 N 1.63 0.70 4.02 1.37 0.00 0.79 -4.93 105.19 108.77 2d86 n GLY 94 Ca -0.05 -0.76 -0.19 0.00 0.00 0.00 0.00 46.02 45.02 2d86 n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2d86 s MET 95 N -1.10 2.44 -0.56 1.61 -1.94 0.76 -4.91 119.30 115.60 2d86 s MET 95 Ca 0.00 -1.43 -0.28 0.00 -1.71 0.00 0.00 55.69 52.27 2d86 s MET 95 Cb 0.00 -2.65 0.02 0.00 2.01 0.00 0.00 34.83 34.21 2d86 s MET 95 CO 0.00 -0.70 1.33 1.03 -0.01 0.00 0.00 175.02 176.67 2d86 s ARG 96 N -4.60 3.40 0.46 2.03 1.81 -1.26 -4.65 118.95 116.13 2d86 s ARG 96 Ca 0.60 0.41 0.28 0.00 -1.72 0.00 0.00 55.73 55.29 2d86 s ARG 96 Cb -0.07 -4.08 1.34 0.00 -0.45 0.00 0.00 34.95 31.69 2d86 s ARG 96 CO 0.37 -1.82 1.73 -0.22 -0.68 0.00 0.00 175.30 174.68 2d86 h LYS 97 N 10.48 0.18 -0.57 3.54 3.11 -1.95 0.72 116.57 132.08 2d86 h LYS 97 Ca -0.26 -0.01 0.03 0.00 -2.81 0.00 0.00 60.65 57.60 2d86 h LYS 97 Cb 1.08 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 32.24 2d86 h LYS 97 CO 1.18 0.12 0.38 1.03 -2.81 0.00 0.00 179.45 179.35 2d86 h SER 98 N 0.19 0.59 0.09 4.20 0.87 -2.00 -1.98 113.55 115.50 2d86 h SER 98 Ca 0.66 -0.01 -0.21 0.00 -1.23 0.00 0.00 61.79 61.00 2d86 h SER 98 Cb 2.10 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.93 2d86 h SER 98 CO -0.23 0.41 -0.80 1.05 -0.53 0.00 0.00 176.83 176.73 2d86 h GLU 99 N 0.68 0.58 -6.80 2.24 4.11 0.06 -3.46 114.58 112.00 2d86 h GLU 99 Ca 0.23 -0.50 -0.54 0.00 0.07 0.00 0.00 59.36 58.62 2d86 h GLU 99 Cb 0.06 0.11 0.21 0.00 0.50 0.00 0.00 28.75 29.63 2d86 h GLU 99 CO -0.06 1.12 -0.48 1.28 0.07 0.00 0.00 179.01 180.95 2d86 n LEU 100 N -3.87 0.29 -4.95 3.06 4.77 -0.75 -4.64 117.00 110.92 2d86 n LEU 100 Ca -0.06 0.39 -0.24 0.00 -0.03 0.00 0.00 56.01 56.06 2d86 n LEU 100 Cb 0.75 -1.23 0.06 0.00 -2.33 0.00 0.00 43.42 40.67 2d86 n LEU 100 CO 0.51 -3.41 0.53 0.72 -1.33 0.00 0.00 177.39 174.41 2d86 s PHE 101 N -2.31 2.81 -0.17 -1.77 -0.12 -1.26 -5.02 117.98 110.14 2d86 s PHE 101 Ca 0.59 0.25 -0.19 0.00 -0.05 0.00 0.00 56.93 57.53 2d86 s PHE 101 Cb -0.24 -3.05 -0.03 0.00 -0.63 0.00 0.00 43.02 39.06 2d86 s PHE 101 CO 0.65 -1.27 0.53 -2.00 -0.05 0.00 0.00 175.22 173.08 2d86 s GLU 102 N -5.09 4.25 0.34 1.99 2.12 -1.26 -4.95 118.70 116.10 2d86 s GLU 102 Ca 0.60 0.47 0.14 0.00 0.36 0.00 0.00 54.97 56.54 2d86 s GLU 102 Cb -0.10 -3.52 1.12 0.00 0.26 0.00 0.00 34.13 31.89 2d86 s GLU 102 CO 0.43 -0.06 1.60 0.00 -0.54 0.00 0.00 175.26 176.69 2d86 h ALA 103 N 7.21 1.85 0.83 6.30 0.00 -1.97 0.39 119.26 133.87 2d86 h ALA 103 Ca -0.36 0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2d86 h ALA 103 Cb 1.16 0.34 0.01 0.00 0.00 0.00 0.00 17.79 19.30 2d86 h ALA 103 CO 0.75 -0.76 -0.40 0.35 0.00 0.00 0.00 179.25 179.20 2d86 h PHE 104 N 0.09 -1.03 -0.83 0.00 3.57 -1.97 -1.99 116.94 114.78 2d86 h PHE 104 Ca 0.75 -0.02 0.34 0.00 3.53 0.00 0.00 57.97 62.57 2d86 h PHE 104 Cb 1.83 0.34 -0.15 0.00 2.79 0.00 0.00 35.95 40.76 2d86 h PHE 104 CO -0.13 -0.63 0.42 -0.25 -2.23 0.00 0.00 178.31 175.49 2d86 n ASP 105 N -5.54 0.26 0.01 0.41 8.00 0.11 0.58 116.55 120.38 2d86 n ASP 105 Ca -0.15 1.39 -0.12 0.00 0.71 0.00 0.00 54.79 56.62 2d86 n ASP 105 Cb 0.44 -0.66 -0.09 0.00 -0.02 0.00 0.00 41.12 40.79 2d86 n ASP 105 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2d86 h LEU 106 N 0.00 -0.10 0.51 0.64 5.85 -1.30 0.39 115.31 121.30 2d86 h LEU 106 Ca 0.69 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2d86 h LEU 106 Cb 1.81 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.86 2d86 h LEU 106 CO -0.65 0.52 -0.38 0.15 -0.34 0.00 0.00 178.44 177.73 2d86 h PHE 107 N -0.79 -1.02 0.00 1.25 3.57 0.90 -1.31 116.94 119.53 2d86 h PHE 107 Ca -0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2d86 h PHE 107 Cb 0.59 0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.71 2d86 h PHE 107 CO 0.12 -0.56 0.00 -3.47 -2.23 0.00 0.00 178.31 172.17 2d86 n ASP 108 N -5.50 0.02 -4.10 0.41 2.03 0.14 -4.87 116.55 104.68 2d86 n ASP 108 Ca -0.12 -1.88 -0.28 0.00 0.52 0.00 0.00 54.79 53.03 2d86 n ASP 108 Cb 0.39 -0.01 -0.09 0.00 -0.72 0.00 0.00 41.12 40.70 2d86 n ASP 108 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2d86 n VAL 109 N -0.49 -0.77 0.04 5.18 0.31 -0.41 -4.85 118.33 117.34 2d86 n VAL 109 Ca 0.00 -0.38 -0.02 0.00 -0.01 0.00 0.00 64.34 63.92 2d86 n VAL 109 Cb 0.01 -0.82 -0.01 0.00 -0.91 0.00 0.00 33.84 32.11 2d86 n VAL 109 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2d86 h ARG 110 N -1.35 -0.14 -3.52 5.55 3.08 -0.54 -3.44 114.38 114.02 2d86 h ARG 110 Ca -0.57 0.01 -0.61 0.00 0.07 0.00 0.00 59.98 58.88 2d86 h ARG 110 Cb 1.22 0.03 -0.40 0.00 0.08 0.00 0.00 29.97 30.90 2d86 h ARG 110 CO 0.64 -0.09 -0.73 -0.51 -1.07 0.00 0.00 179.97 178.21 2d86 s ASP 111 N -3.69 4.05 0.15 7.04 1.11 -1.25 -4.97 116.67 119.10 2d86 s ASP 111 Ca -0.02 -2.27 -0.12 0.00 0.18 0.00 0.00 52.55 50.31 2d86 s ASP 111 Cb 0.00 -1.16 0.02 0.00 1.07 0.00 0.00 42.92 42.86 2d86 s ASP 111 CO 0.06 -0.33 1.61 0.15 1.18 0.00 0.00 175.17 177.84 2d86 h PHE 112 N 7.29 0.94 -1.33 4.23 3.57 -1.85 -2.92 116.94 126.88 2d86 h PHE 112 Ca -0.06 -0.15 0.40 0.00 3.53 0.00 0.00 57.97 61.69 2d86 h PHE 112 Cb 0.97 -0.25 -0.10 0.00 2.79 0.00 0.00 35.95 39.36 2d86 h PHE 112 CO 0.44 0.88 0.89 0.78 -2.23 0.00 0.00 178.31 179.07 2d86 h GLY 113 N 0.73 0.92 1.34 2.40 0.00 -1.99 0.91 103.07 107.39 2d86 h GLY 113 Ca 0.14 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 2d86 h GLY 113 CO 0.02 -0.23 0.15 0.50 0.00 0.00 0.00 176.54 176.97 2d86 h LYS 114 N 0.12 0.83 -0.25 4.80 1.57 -1.95 -2.42 116.57 119.27 2d86 h LYS 114 Ca 0.75 -0.16 -0.19 0.00 -1.87 0.00 0.00 60.65 59.18 2d86 h LYS 114 Cb 2.47 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 34.65 2d86 h LYS 114 CO -0.28 0.74 -0.58 0.28 -0.57 0.00 0.00 179.45 179.04 2d86 h VAL 115 N 0.81 1.28 -0.37 0.50 2.07 0.71 -3.19 116.25 118.06 2d86 h VAL 115 Ca 0.18 -1.77 0.03 0.00 0.82 0.00 0.00 66.70 65.95 2d86 h VAL 115 Cb 0.28 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 2d86 h VAL 115 CO -0.00 0.57 0.19 0.40 0.02 0.00 0.00 177.57 178.74 2d86 h ILE 116 N 0.61 0.98 -0.38 4.57 2.04 -1.17 -2.70 117.51 121.46 2d86 h ILE 116 Ca -0.00 -0.13 0.08 0.00 1.00 0.00 0.00 64.86 65.81 2d86 h ILE 116 Cb 1.20 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 37.78 2d86 h ILE 116 CO 0.13 0.07 -0.09 -0.08 0.00 0.00 0.00 178.15 178.17 2d86 h GLU 117 N 0.38 0.00 -0.76 2.37 4.57 -1.47 -1.90 114.58 117.77 2d86 h GLU 117 Ca 0.16 -0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.48 2d86 h GLU 117 Cb 0.06 -0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 28.51 2d86 h GLU 117 CO -0.11 0.00 -0.24 1.15 -1.18 0.00 0.00 179.01 178.64 2d86 h THR 118 N 0.00 0.19 -0.81 0.32 2.02 -1.47 0.27 112.91 113.44 2d86 h THR 118 Ca 0.18 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.34 2d86 h THR 118 Cb 0.28 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 66.84 2d86 h THR 118 CO -0.39 0.00 0.41 -0.07 0.37 0.00 0.00 175.52 175.83 2d86 h LEU 119 N -0.03 1.04 -1.16 2.58 3.38 -1.34 -1.37 115.31 118.41 2d86 h LEU 119 Ca 0.34 -0.12 0.23 0.00 0.09 0.00 0.00 57.88 58.42 2d86 h LEU 119 Cb 0.57 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 40.95 2d86 h LEU 119 CO -0.79 0.87 0.62 -1.28 0.09 0.00 0.00 178.44 177.95 2d86 h SER 120 N 1.14 0.63 0.00 -0.43 0.87 0.19 -2.05 113.55 113.90 2d86 h SER 120 Ca 0.28 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.91 2d86 h SER 120 Cb 0.09 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2d86 h SER 120 CO -0.04 0.17 -0.17 0.03 -0.53 0.00 0.00 176.83 176.29 2d86 h ARG 121 N 0.58 0.00 -0.86 2.24 3.08 -0.96 -3.36 114.38 115.10 2d86 h ARG 121 Ca 0.59 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.80 2d86 h ARG 121 Cb 1.18 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.07 2d86 h ARG 121 CO -0.36 0.68 -0.25 -0.11 -1.07 0.00 0.00 179.97 178.85 2d86 n LEU 122 N -4.64 -0.39 -0.31 3.04 7.94 -0.56 0.97 117.00 123.05 2d86 n LEU 122 Ca -0.10 1.48 0.10 0.00 -1.11 0.00 0.00 56.01 56.38 2d86 n LEU 122 Cb 0.36 -0.41 0.22 0.00 0.53 0.00 0.00 43.42 44.12 2d86 n LEU 122 CO 0.22 -1.39 0.79 0.77 -1.11 0.00 0.00 177.39 176.67 2d86 h SER 123 N 0.00 -0.49 -1.02 1.96 4.64 -1.54 0.56 113.55 117.65 2d86 h SER 123 Ca 0.37 0.25 0.37 0.00 -0.47 0.00 0.00 61.79 62.32 2d86 h SER 123 Cb 0.59 0.45 -0.16 0.00 -0.31 0.00 0.00 62.40 62.97 2d86 h SER 123 CO -0.87 -0.29 0.57 0.03 -0.87 0.00 0.00 176.83 175.41 2d86 h ARG 124 N 0.04 0.17 -6.01 4.77 2.47 0.43 -3.28 114.38 112.96 2d86 h ARG 124 Ca 0.51 -0.01 -0.61 0.00 -1.26 0.00 0.00 59.98 58.62 2d86 h ARG 124 Cb 0.97 -0.04 0.17 0.00 -1.65 0.00 0.00 29.97 29.43 2d86 h ARG 124 CO -0.84 0.11 -1.08 0.25 0.56 0.00 0.00 179.97 178.97 2d86 n THR 125 N -5.12 0.23 0.83 2.04 -2.24 0.19 -4.74 114.28 105.47 2d86 n THR 125 Ca 0.35 -0.50 0.08 0.00 -2.27 0.00 0.00 64.05 61.70 2d86 n THR 125 Cb 1.14 -0.02 0.41 0.00 -2.10 0.00 0.00 70.33 69.77 2d86 n THR 125 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2d86 n PRO 126 N 1.42 0.34 -0.08 -0.78 -0.04 -1.26 -2.90 135.00 131.70 2d86 n PRO 126 Ca 0.09 0.08 -0.23 0.00 -0.04 0.00 0.00 63.50 63.40 2d86 n PRO 126 Cb 0.45 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.29 2d86 n PRO 126 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2d86 n ILE 127 N -1.15 1.61 -0.22 0.52 -0.00 -1.26 -3.08 119.36 115.78 2d86 n ILE 127 Ca 0.09 -0.37 -0.08 0.00 -0.00 0.00 0.00 62.75 62.38 2d86 n ILE 127 Cb 0.09 -1.82 0.03 0.00 -0.00 0.00 0.00 39.64 37.93 2d86 n ILE 127 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2d86 h ALA 128 N -0.33 0.82 -0.15 -1.39 0.00 -1.70 -3.04 119.26 113.48 2d86 h ALA 128 Ca -0.47 -0.26 -0.21 0.00 0.00 0.00 0.00 54.91 53.96 2d86 h ALA 128 Cb 1.68 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 19.25 2d86 h ALA 128 CO -0.14 0.58 -0.75 -0.07 0.00 0.00 0.00 179.25 178.88 2d86 h LEU 129 N 0.94 0.84 -0.92 0.00 3.38 -1.59 -3.23 115.31 114.72 2d86 h LEU 129 Ca 0.19 -0.54 0.27 0.00 0.09 0.00 0.00 57.88 57.89 2d86 h LEU 129 Cb 0.43 -0.25 -0.15 0.00 0.09 0.00 0.00 40.66 40.79 2d86 h LEU 129 CO 0.01 1.33 0.28 0.00 0.09 0.00 0.00 178.44 180.15 2d86 h ALA 130 N 0.66 1.44 -0.78 1.53 0.00 -1.46 0.61 119.26 121.26 2d86 h ALA 130 Ca -0.04 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2d86 h ALA 130 Cb 1.36 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 2d86 h ALA 130 CO 0.15 -0.54 0.37 1.79 0.00 0.00 0.00 179.25 181.02 2d86 h THR 131 N 0.18 1.25 0.00 0.00 1.35 -1.57 -3.47 112.91 110.65 2d86 h THR 131 Ca 0.61 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 2d86 h THR 131 Cb 1.31 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 2d86 h THR 131 CO -0.70 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 175.48 2d86 n GLY 132 N -1.03 1.27 3.76 5.82 0.00 0.21 -5.07 105.19 110.14 2d86 n GLY 132 Ca 0.08 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 2d86 n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2d86 s ILE 133 N -2.00 4.41 -0.64 -0.61 1.01 -1.26 -4.86 121.20 117.25 2d86 s ILE 133 Ca 0.00 1.80 -0.14 0.00 0.00 0.00 0.00 60.65 62.31 2d86 s ILE 133 Cb 0.00 -4.19 -0.17 0.00 0.01 0.00 0.00 42.46 38.11 2d86 s ILE 133 CO 0.00 0.46 1.57 0.54 0.00 0.00 0.00 174.94 177.51 2d86 n ARG 134 N 1.97 0.00 -2.25 2.79 5.12 -1.26 -4.80 116.66 118.23 2d86 n ARG 134 Ca -0.03 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.50 2d86 n ARG 134 Cb 0.49 -0.82 -0.02 0.00 -1.16 0.00 0.00 32.46 30.95 2d86 n ARG 134 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2d86 s PRO 135 N 5.17 4.11 0.85 5.56 0.04 -1.26 -4.84 135.00 144.63 2d86 s PRO 135 Ca 0.85 1.92 -0.16 0.00 0.04 0.00 0.00 61.00 63.65 2d86 s PRO 135 Cb -0.69 -2.76 -0.08 0.00 0.04 0.00 0.00 34.50 31.01 2d86 s PRO 135 CO 0.33 -0.29 -0.12 1.19 0.04 0.00 0.00 177.00 178.15 2d86 n PHE 136 N 0.23 -3.00 0.98 0.56 3.72 -1.26 -4.77 117.46 113.92 2d86 n PHE 136 Ca 0.03 0.19 0.06 0.00 -0.05 0.00 0.00 57.45 57.68 2d86 n PHE 136 Cb 0.45 -1.66 0.35 0.00 -0.94 0.00 0.00 39.48 37.68 2d86 n PHE 136 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2d86 n PRO 137 N 0.65 0.49 -1.97 -1.08 -0.04 -1.26 -4.81 135.00 126.98 2d86 n PRO 137 Ca 0.04 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.10 2d86 n PRO 137 Cb 0.53 -1.38 -0.01 0.00 -0.04 0.00 0.00 33.50 32.60 2d86 n PRO 137 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2d86 s SER 138 N -1.88 6.49 0.64 3.54 1.04 -1.26 -5.02 113.70 117.25 2d86 s SER 138 Ca 0.18 2.83 -0.02 0.00 0.48 0.00 0.00 55.95 59.42 2d86 s SER 138 Cb 0.08 -2.65 0.06 0.00 0.10 0.00 0.00 66.02 63.61 2d86 s SER 138 CO 0.14 -0.75 0.90 -0.83 0.98 0.00 0.00 173.24 173.68 2d86 s GLY 139 N -0.40 1.78 0.00 7.32 0.00 -1.26 -4.96 107.32 109.79 2d86 s GLY 139 Ca 0.52 -1.29 0.15 0.00 0.00 0.00 0.00 44.72 44.10 2d86 s GLY 139 CO 0.56 -0.91 1.37 -1.55 0.00 0.00 0.00 173.10 172.57 2d86 n PRO 140 N -2.64 0.38 0.03 2.90 -0.04 -1.26 -2.91 135.00 131.46 2d86 n PRO 140 Ca 0.10 0.06 -0.19 0.00 -0.04 0.00 0.00 63.50 63.42 2d86 n PRO 140 Cb 0.60 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.42 2d86 n PRO 140 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2d86 h SER 141 N 0.00 0.39 -1.29 3.54 0.02 -2.02 -3.46 113.55 110.73 2d86 h SER 141 Ca 0.00 -0.95 -0.65 0.00 -0.84 0.00 0.00 61.79 59.35 2d86 h SER 141 Cb 0.05 -0.13 0.12 0.00 0.14 0.00 0.00 62.40 62.58 2d86 h SER 141 CO 0.00 1.36 -0.51 -1.20 -1.14 0.00 0.00 176.83 175.34 2d86 n SER 142 N -4.18 -1.16 0.00 3.07 7.64 -1.15 -5.28 113.62 112.56 2d86 n SER 142 Ca -0.15 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.82 2d86 n SER 142 Cb 0.78 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2d86 n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64