#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d86 s SER 2 N 0.00 0.28 0.69 1.61 0.01 -1.26 -5.15 113.70 109.89 2d86 s SER 2 Ca 0.00 0.04 -0.17 0.00 1.31 0.00 0.00 55.95 57.13 2d86 s SER 2 Cb 0.00 1.12 -0.10 0.00 0.21 0.00 0.00 66.02 67.25 2d86 s SER 2 CO 0.00 -0.32 0.02 -0.24 0.41 0.00 0.00 173.24 173.12 2d86 n SER 3 N 5.36 -3.06 0.00 2.44 2.88 -1.26 -4.86 113.62 115.12 2d86 n SER 3 Ca -0.02 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 2d86 n SER 3 Cb 0.50 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 2d86 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d86 n GLY 4 N 2.33 0.18 3.11 0.46 0.00 -1.26 -5.18 105.19 104.82 2d86 n GLY 4 Ca 0.07 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 2d86 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d86 s SER 5 N 0.00 0.81 -0.17 1.61 0.01 -1.26 -5.15 113.70 109.55 2d86 s SER 5 Ca 0.00 -0.85 0.01 0.00 1.31 0.00 0.00 55.95 56.42 2d86 s SER 5 Cb 0.00 0.11 0.03 0.00 0.21 0.00 0.00 66.02 66.37 2d86 s SER 5 CO 0.00 -0.43 -0.16 -0.94 0.41 0.00 0.00 173.24 172.12 2d86 s SER 6 N -2.53 3.07 0.00 2.44 1.04 -1.26 -5.07 113.70 111.38 2d86 s SER 6 Ca 0.03 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.80 2d86 s SER 6 Cb 0.01 -1.35 0.00 0.00 0.10 0.00 0.00 66.02 64.78 2d86 s SER 6 CO -0.05 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.74 2d86 n GLY 7 N 4.67 1.76 3.27 7.32 0.00 -1.26 -5.06 105.19 115.89 2d86 n GLY 7 Ca -0.19 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.76 2.70 0.93 1.61 -2.45 -1.26 -5.07 119.30 114.00 2d86 s MET 8 Ca 0.00 -1.65 -0.14 0.00 -1.25 0.00 0.00 55.69 52.65 2d86 s MET 8 Cb 0.00 -4.03 -0.00 0.00 1.25 0.00 0.00 34.83 32.04 2d86 s MET 8 CO 0.00 -1.18 0.23 0.39 1.05 0.00 0.00 175.02 175.51 2d86 n GLU 9 N 5.04 -0.18 -0.09 4.11 4.71 -1.26 -4.92 120.64 128.06 2d86 n GLU 9 Ca -0.11 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.16 56.90 2d86 n GLU 9 Cb 0.41 -1.72 -0.04 0.00 -1.01 0.00 0.00 31.44 29.08 2d86 n GLU 9 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 2d86 h PRO 10 N -1.33 0.70 -0.03 3.49 0.13 -2.02 -3.28 132.00 129.66 2d86 h PRO 10 Ca -0.44 -0.37 -0.22 0.00 -0.87 0.00 0.00 66.00 64.10 2d86 h PRO 10 Cb 1.29 0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.45 2d86 h PRO 10 CO 0.33 0.98 -0.83 0.11 -0.23 0.00 0.00 178.00 178.37 2d86 h TRP 11 N 0.45 0.90 -0.67 1.56 5.08 -1.99 -3.17 115.95 118.11 2d86 h TRP 11 Ca 0.05 -0.47 0.08 0.00 1.08 0.00 0.00 58.89 59.63 2d86 h TRP 11 Cb 0.85 -0.11 -0.09 0.00 -3.00 0.00 0.00 29.16 26.81 2d86 h TRP 11 CO 0.07 1.29 -0.34 1.63 -1.28 0.00 0.00 178.44 179.82 2d86 n LYS 12 N -4.00 -0.24 -0.07 0.12 4.01 -1.24 0.69 118.16 117.42 2d86 n LYS 12 Ca -0.10 1.02 -0.13 0.00 -0.51 0.00 0.00 58.31 58.59 2d86 n LYS 12 Cb 0.78 -1.50 -0.06 0.00 -0.51 0.00 0.00 35.03 33.74 2d86 n LYS 12 CO 0.00 0.00 0.00 -0.56 -1.11 0.00 0.00 177.40 175.73 2d86 h GLN 13 N 0.00 0.56 -0.70 1.97 3.07 -1.68 -3.25 115.11 115.09 2d86 h GLN 13 Ca 0.16 -0.31 0.13 0.00 0.09 0.00 0.00 58.65 58.72 2d86 h GLN 13 Cb 0.33 0.02 -0.13 0.00 0.08 0.00 0.00 27.48 27.77 2d86 h GLN 13 CO -0.64 0.90 -0.28 0.00 0.09 0.00 0.00 178.83 178.90 2d86 n ALA 15 N -3.22 0.37 0.05 0.00 0.00 0.16 -0.77 120.51 117.11 2d86 n ALA 15 Ca 0.07 0.80 -0.03 0.00 0.00 0.00 0.00 53.44 54.28 2d86 n ALA 15 Cb 0.37 -0.58 -0.01 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.16 -0.79 0.00 1.08 -1.10 -2.37 115.11 111.77 2d86 h GLN 16 Ca 0.45 0.01 0.17 0.00 -1.45 0.00 0.00 58.65 57.82 2d86 h GLN 16 Cb 0.91 0.04 -0.15 0.00 -0.05 0.00 0.00 27.48 28.23 2d86 h GLN 16 CO -0.70 -0.11 -0.17 1.87 -0.95 0.00 0.00 178.83 178.78 2d86 n TRP 17 N -2.67 0.32 0.09 2.96 -0.00 0.05 0.52 117.44 118.70 2d86 n TRP 17 Ca -0.02 0.96 -0.13 0.00 -0.00 0.00 0.00 57.50 58.31 2d86 n TRP 17 Cb 0.07 -0.98 -0.06 0.00 -0.00 0.00 0.00 31.31 30.34 2d86 n TRP 17 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 2d86 h LEU 18 N 0.00 -1.02 -0.83 5.87 3.38 -1.23 0.53 115.31 122.01 2d86 h LEU 18 Ca 0.39 0.12 0.17 0.00 0.09 0.00 0.00 57.88 58.66 2d86 h LEU 18 Cb 0.64 0.40 -0.11 0.00 0.09 0.00 0.00 40.66 41.68 2d86 h LEU 18 CO -0.80 -0.42 0.37 0.40 0.09 0.00 0.00 178.44 178.08 2d86 h ILE 19 N -0.54 0.61 -0.11 1.22 2.04 0.60 0.88 117.51 122.20 2d86 h ILE 19 Ca 0.04 -0.17 -0.16 0.00 1.00 0.00 0.00 64.86 65.58 2d86 h ILE 19 Cb 0.60 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2d86 h ILE 19 CO -0.24 0.09 -0.60 0.45 0.00 0.00 0.00 178.15 177.85 2d86 h HIS 20 N 0.48 0.48 0.00 1.37 3.86 -0.49 -2.74 115.15 118.10 2d86 h HIS 20 Ca 0.48 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 2d86 h HIS 20 Cb 0.78 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.17 2d86 h HIS 20 CO -0.14 0.88 0.00 0.00 0.86 0.00 0.00 177.93 179.53 2d86 n LYS 22 N -1.22 -2.95 0.00 0.00 4.76 -0.95 -4.75 118.16 113.05 2d86 n LYS 22 Ca 0.06 0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 2d86 n LYS 22 Cb 0.07 -3.89 0.00 0.00 -1.84 0.00 0.00 35.03 29.37 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 -2.76 0.00 -4.19 -0.18 0.24 -1.08 -4.89 118.33 105.48 2d86 n VAL 23 Ca -0.07 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.06 2d86 n VAL 23 Cb 0.55 -0.77 -0.12 0.00 -1.47 0.00 0.00 33.84 32.02 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 -3.46 2.21 0.90 1.34 1.43 -1.25 -4.99 118.68 114.87 2d86 s LEU 24 Ca 0.00 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 2d86 s LEU 24 Cb 0.00 -0.40 0.13 0.00 0.03 0.00 0.00 46.19 45.95 2d86 s LEU 24 CO 0.00 -0.07 1.09 -2.16 0.23 0.00 0.00 176.35 175.44 2d86 s PRO 25 N -1.36 1.25 0.35 1.29 0.04 -1.26 -4.21 135.00 131.10 2d86 s PRO 25 Ca -0.03 0.82 0.18 0.00 0.04 0.00 0.00 61.00 62.01 2d86 s PRO 25 Cb -0.09 -1.81 0.50 0.00 0.04 0.00 0.00 34.50 33.14 2d86 s PRO 25 CO 0.01 -2.24 1.64 1.79 0.04 0.00 0.00 177.00 178.24 2d86 h THR 26 N -1.55 0.86 -0.46 1.26 1.35 -2.01 -3.10 112.91 109.26 2d86 h THR 26 Ca -0.49 -1.74 -0.19 0.00 -0.55 0.00 0.00 66.41 63.44 2d86 h THR 26 Cb 1.28 2.09 -0.11 0.00 -1.73 0.00 0.00 68.15 69.68 2d86 h THR 26 CO 0.55 0.40 0.07 0.59 -0.25 0.00 0.00 175.52 176.88 2d86 n ASN 27 N -3.41 3.19 -3.14 5.36 3.02 -1.26 -4.95 115.26 114.06 2d86 n ASN 27 Ca 0.01 -3.53 -0.12 0.00 -0.03 0.00 0.00 54.58 50.90 2d86 n ASN 27 Cb 0.58 -0.65 0.12 0.00 -0.61 0.00 0.00 39.78 39.22 2d86 n ASN 27 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2d86 n HIS 28 N -0.90 -2.52 -0.02 3.10 -0.00 -1.17 -4.96 115.22 108.75 2d86 n HIS 28 Ca 0.35 -0.28 -0.13 0.00 0.46 0.00 0.00 57.72 58.11 2d86 n HIS 28 Cb 1.13 -0.61 -0.14 0.00 -0.12 0.00 0.00 29.99 30.25 2d86 n HIS 28 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 2d86 n ARG 29 N -3.03 0.68 0.29 1.57 0.00 -1.26 -3.95 116.66 110.97 2d86 n ARG 29 Ca 0.06 0.27 0.19 0.00 -0.00 0.00 0.00 57.85 58.37 2d86 n ARG 29 Cb 0.24 -1.75 0.91 0.00 -0.00 0.00 0.00 32.46 31.86 2d86 n ARG 29 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 2d86 h VAL 30 N 0.03 0.00 -0.20 8.89 -1.51 -1.93 -2.36 116.25 119.16 2d86 h VAL 30 Ca -0.35 -0.23 -0.17 0.00 -1.23 0.00 0.00 66.70 64.72 2d86 h VAL 30 Cb 2.03 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 32.36 2d86 h VAL 30 CO 0.08 0.00 -0.56 0.71 -1.23 0.00 0.00 177.57 176.57 2d86 h THR 31 N 0.00 1.31 -2.65 7.19 1.35 -1.93 -3.45 112.91 114.74 2d86 h THR 31 Ca 0.00 -1.80 -0.54 0.00 -0.55 0.00 0.00 66.41 63.52 2d86 h THR 31 Cb 0.24 1.76 0.06 0.00 -1.73 0.00 0.00 68.15 68.48 2d86 h THR 31 CO 0.00 0.56 0.94 0.79 -0.25 0.00 0.00 175.52 177.56 2d86 n TRP 32 N -3.96 2.64 -0.28 4.73 7.02 -0.89 -4.87 117.44 121.83 2d86 n TRP 32 Ca -0.03 0.13 0.08 0.00 -1.02 0.00 0.00 57.50 56.66 2d86 n TRP 32 Cb 0.62 -2.63 0.23 0.00 -2.42 0.00 0.00 31.31 27.11 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 6.25 0.23 -0.86 -0.99 3.32 -1.88 0.59 116.42 123.08 2d86 h ASP 33 Ca -0.44 0.14 0.18 0.00 0.02 0.00 0.00 57.03 56.93 2d86 h ASP 33 Cb 1.22 0.14 -0.11 0.00 0.22 0.00 0.00 39.33 40.80 2d86 h ASP 33 CO 0.92 0.03 0.40 0.28 -1.72 0.00 0.00 179.24 179.14 2d86 h SER 34 N 0.38 0.41 -2.02 6.45 0.02 -1.92 -3.42 113.55 113.45 2d86 h SER 34 Ca 0.47 0.12 -0.49 0.00 -0.84 0.00 0.00 61.79 61.06 2d86 h SER 34 Cb 0.82 0.08 0.24 0.00 0.14 0.00 0.00 62.40 63.67 2d86 h SER 34 CO -0.49 0.11 -1.63 0.00 -1.14 0.00 0.00 176.83 173.68 2d86 n ALA 35 N -2.47 -4.64 -2.88 3.77 0.00 0.20 -5.03 120.51 109.46 2d86 n ALA 35 Ca 0.19 -1.15 -0.10 0.00 0.00 0.00 0.00 53.44 52.39 2d86 n ALA 35 Cb 0.53 -1.28 -0.06 0.00 0.00 0.00 0.00 19.45 18.64 2d86 n ALA 35 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2d86 s GLN 36 N -2.83 1.19 0.24 0.00 -0.21 -1.26 -5.02 119.66 111.78 2d86 s GLN 36 Ca 0.48 -1.05 0.06 0.00 0.02 0.00 0.00 55.36 54.87 2d86 s GLN 36 Cb -0.07 0.42 0.72 0.00 1.00 0.00 0.00 33.01 35.08 2d86 s GLN 36 CO 0.68 -0.46 1.16 1.33 -2.12 0.00 0.00 175.29 175.89 2d86 n VAL 37 N -0.24 -0.31 0.04 1.09 0.24 -1.26 0.53 118.33 118.43 2d86 n VAL 37 Ca -0.09 1.58 -0.14 0.00 -2.04 0.00 0.00 64.34 63.65 2d86 n VAL 37 Cb 0.63 -2.40 -0.08 0.00 -1.47 0.00 0.00 33.84 30.52 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 -1.34 -0.75 6.34 3.04 -1.96 0.28 116.94 122.55 2d86 h PHE 38 Ca 0.51 0.05 0.07 0.00 3.98 0.00 0.00 57.97 62.58 2d86 h PHE 38 Cb 1.18 0.59 -0.10 0.00 2.56 0.00 0.00 35.95 40.18 2d86 h PHE 38 CO -0.25 -0.52 -0.52 0.22 -2.02 0.00 0.00 178.31 175.22 2d86 h ASP 39 N -0.59 -1.87 0.28 0.41 1.82 -0.31 1.23 116.42 117.39 2d86 h ASP 39 Ca 0.04 0.27 -0.01 0.00 -0.39 0.00 0.00 57.03 56.95 2d86 h ASP 39 Cb 0.67 0.81 -0.00 0.00 0.68 0.00 0.00 39.33 41.50 2d86 h ASP 39 CO -0.36 -0.25 -0.06 0.25 -1.61 0.00 0.00 179.24 177.22 2d86 h LEU 40 N -0.09 0.00 0.00 2.28 5.85 -1.44 -1.29 115.31 120.62 2d86 h LEU 40 Ca 0.12 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 2d86 h LEU 40 Cb 0.41 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2d86 h LEU 40 CO -0.76 0.06 -0.63 0.00 -0.34 0.00 0.00 178.44 176.76 2d86 h ALA 41 N 1.94 0.63 0.05 1.25 0.00 0.48 -3.30 119.26 120.31 2d86 h ALA 41 Ca -0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 2d86 h ALA 41 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2d86 h ALA 41 CO 0.01 0.73 -0.02 1.96 0.00 0.00 0.00 179.25 181.92 2d86 h GLN 42 N 0.00 -0.07 -0.31 0.00 4.20 0.21 0.16 115.11 119.31 2d86 h GLN 42 Ca -0.02 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.79 2d86 h GLN 42 Cb 1.45 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.23 2d86 h GLN 42 CO 0.07 0.49 0.55 0.00 -0.67 0.00 0.00 178.83 179.28 2d86 h THR 43 N -0.94 0.16 0.00 -0.54 1.03 -1.58 0.19 112.91 111.23 2d86 h THR 43 Ca -0.01 0.00 -0.28 0.00 -0.01 0.00 0.00 66.41 66.11 2d86 h THR 43 Cb 0.59 0.51 -0.05 0.00 -1.07 0.00 0.00 68.15 68.13 2d86 h THR 43 CO 0.01 0.00 -2.16 0.18 -0.01 0.00 0.00 175.52 173.55 2d86 n LEU 44 N -3.26 0.00 -0.52 0.00 4.77 -1.23 -4.44 117.00 112.33 2d86 n LEU 44 Ca 0.05 0.00 0.42 0.00 -0.03 0.00 0.00 56.01 56.46 2d86 n LEU 44 Cb 0.68 0.38 0.71 0.00 -2.33 0.00 0.00 43.42 42.87 2d86 n LEU 44 CO 0.19 0.38 1.31 -0.09 -1.33 0.00 0.00 177.39 177.85 2d86 h ARG 45 N 0.00 0.03 -0.19 3.23 2.43 0.24 0.82 114.38 120.95 2d86 h ARG 45 Ca -0.42 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.74 2d86 h ARG 45 Cb 1.94 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.47 2d86 h ARG 45 CO 0.02 0.02 0.06 0.38 -1.51 0.00 0.00 179.97 178.95 2d86 h ASP 46 N 0.03 0.27 0.00 -3.80 3.04 -1.77 -3.41 116.42 110.78 2d86 h ASP 46 Ca 0.86 -0.19 0.00 0.00 -3.24 0.00 0.00 57.03 54.46 2d86 h ASP 46 Cb 2.97 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 41.19 2d86 h ASP 46 CO -0.31 0.38 0.00 0.61 -2.04 0.00 0.00 179.24 177.88 2d86 n GLY 47 N -0.64 1.32 0.10 7.15 0.00 0.29 -4.57 105.19 108.83 2d86 n GLY 47 Ca -0.04 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.77 1.23 -0.05 1.61 0.31 -1.26 -4.33 118.33 114.07 2d86 n VAL 48 Ca 0.00 -0.58 -0.14 0.00 -0.01 0.00 0.00 64.34 63.61 2d86 n VAL 48 Cb 0.02 -0.99 -0.13 0.00 -0.91 0.00 0.00 33.84 31.83 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 0.04 -0.96 7.52 5.85 -1.88 -3.32 115.31 122.56 2d86 h LEU 49 Ca -0.48 -0.92 0.11 0.00 0.84 0.00 0.00 57.88 57.42 2d86 h LEU 49 Cb 1.88 -0.01 -0.13 0.00 0.37 0.00 0.00 40.66 42.77 2d86 h LEU 49 CO -0.04 0.96 -0.50 0.18 -0.34 0.00 0.00 178.44 178.70 2d86 n LEU 50 N -4.60 -0.89 -0.29 2.25 4.77 -1.26 0.88 117.00 117.86 2d86 n LEU 50 Ca -0.10 1.70 0.11 0.00 -0.03 0.00 0.00 56.01 57.69 2d86 n LEU 50 Cb 0.48 -0.28 0.27 0.00 -2.33 0.00 0.00 43.42 41.56 2d86 n LEU 50 CO 0.35 -1.43 1.04 0.00 -1.33 0.00 0.00 177.39 176.02 2d86 h GLN 52 N 0.42 -0.02 -0.53 0.00 4.20 0.40 -2.68 115.11 116.91 2d86 h GLN 52 Ca 0.52 0.00 0.05 0.00 0.06 0.00 0.00 58.65 59.28 2d86 h GLN 52 Cb 0.93 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.65 2d86 h GLN 52 CO -0.49 -0.01 -0.31 -0.11 -0.67 0.00 0.00 178.83 177.23 2d86 n LEU 53 N -5.19 -0.56 -0.20 1.46 7.94 -0.24 0.68 117.00 120.90 2d86 n LEU 53 Ca -0.03 1.18 -0.03 0.00 -1.11 0.00 0.00 56.01 56.02 2d86 n LEU 53 Cb 0.12 -0.24 0.07 0.00 0.53 0.00 0.00 43.42 43.90 2d86 n LEU 53 CO 0.25 -0.88 1.06 -0.07 -1.11 0.00 0.00 177.39 176.63 2d86 h LEU 54 N 0.00 0.46 -2.12 -1.96 3.38 -1.58 -0.45 115.31 113.05 2d86 h LEU 54 Ca 0.08 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.15 2d86 h LEU 54 Cb 0.22 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2d86 h LEU 54 CO -0.50 0.31 0.21 0.78 0.09 0.00 0.00 178.44 179.33 2d86 h ASN 55 N 0.59 0.00 0.02 -0.43 2.35 0.60 0.45 115.58 119.16 2d86 h ASN 55 Ca 0.26 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.80 2d86 h ASN 55 Cb 0.16 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.54 2d86 h ASN 55 CO -0.17 0.00 -0.84 0.78 -1.65 0.00 0.00 177.43 175.55 2d86 h ASN 56 N 0.00 0.70 0.27 5.81 2.35 0.13 -3.36 115.58 121.48 2d86 h ASN 56 Ca 0.12 -0.77 -0.01 0.00 -0.55 0.00 0.00 56.30 55.08 2d86 h ASN 56 Cb 0.53 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.69 2d86 h ASN 56 CO -0.00 1.39 -0.13 -0.07 -1.65 0.00 0.00 177.43 176.96 2d86 h LEU 57 N 0.09 -0.31 -9.22 1.61 3.38 -0.73 -3.46 115.31 106.67 2d86 h LEU 57 Ca -0.11 -0.22 -0.62 0.00 0.09 0.00 0.00 57.88 57.02 2d86 h LEU 57 Cb 1.53 0.08 -0.15 0.00 0.09 0.00 0.00 40.66 42.22 2d86 h LEU 57 CO 0.16 0.12 -0.76 -0.60 0.09 0.00 0.00 178.44 177.46 2d86 s ARG 58 N -4.23 1.77 0.17 1.13 3.52 0.04 -4.92 118.95 116.43 2d86 s ARG 58 Ca -0.13 -1.59 -0.14 0.00 -0.13 0.00 0.00 55.73 53.74 2d86 s ARG 58 Cb 0.02 -1.90 -0.07 0.00 -1.56 0.00 0.00 34.95 31.44 2d86 s ARG 58 CO 0.51 0.37 0.57 0.00 -0.81 0.00 0.00 175.30 175.94 2d86 s ALA 59 N -2.15 3.56 -1.73 6.12 0.00 -1.26 -3.97 121.76 122.32 2d86 s ALA 59 Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.10 2d86 s ALA 59 Cb -0.06 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.52 2d86 s ALA 59 CO 0.14 0.45 0.00 0.72 0.00 0.00 0.00 175.76 177.07 2d86 n HIS 60 N 0.58 -0.52 -0.07 0.00 8.25 -1.26 -4.89 115.22 117.32 2d86 n HIS 60 Ca -0.04 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.28 2d86 n HIS 60 Cb 0.52 -3.42 -0.06 0.00 1.12 0.00 0.00 29.99 28.15 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 0.00 0.61 -3.08 0.41 0.02 -1.87 -3.45 113.55 106.19 2d86 h SER 61 Ca -0.41 -0.52 -0.16 0.00 -0.84 0.00 0.00 61.79 59.86 2d86 h SER 61 Cb 1.27 -0.17 -0.29 0.00 0.14 0.00 0.00 62.40 63.35 2d86 h SER 61 CO 0.53 1.01 -0.42 -0.63 -1.14 0.00 0.00 176.83 176.18 2d86 s ILE 62 N -4.18 -0.21 -0.51 3.27 1.01 -1.26 -4.73 121.20 114.59 2d86 s ILE 62 Ca -0.13 0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.40 2d86 s ILE 62 Cb 0.07 -0.51 0.02 0.00 0.01 0.00 0.00 42.46 42.05 2d86 s ILE 62 CO 0.81 0.07 1.26 0.21 0.00 0.00 0.00 174.94 177.28 2d86 s ASN 63 N 1.76 6.43 0.50 3.58 3.84 -1.26 -4.87 114.94 124.91 2d86 s ASN 63 Ca -0.06 0.39 0.37 0.00 0.21 0.00 0.00 52.86 53.76 2d86 s ASN 63 Cb -0.10 -2.55 1.52 0.00 -0.55 0.00 0.00 41.25 39.57 2d86 s ASN 63 CO -0.10 -1.44 1.68 -0.07 -2.79 0.00 0.00 177.10 174.38 2d86 h LEU 64 N 11.97 0.12 -0.67 3.21 3.38 -1.99 1.12 115.31 132.45 2d86 h LEU 64 Ca -0.25 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 2d86 h LEU 64 Cb 1.07 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 2d86 h LEU 64 CO 1.15 -0.04 -0.15 0.11 0.09 0.00 0.00 178.44 179.60 2d86 h LYS 65 N 0.07 0.88 0.00 1.13 1.79 -2.03 -2.58 116.57 115.84 2d86 h LYS 65 Ca 0.75 -0.33 -0.01 0.00 -2.18 0.00 0.00 60.65 58.88 2d86 h LYS 65 Cb 2.71 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 33.30 2d86 h LYS 65 CO -0.15 0.97 -0.05 0.93 -1.08 0.00 0.00 179.45 180.07 2d86 h GLU 66 N 0.79 0.00 -5.92 3.15 5.08 0.91 -3.42 114.58 115.17 2d86 h GLU 66 Ca 0.12 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.81 2d86 h GLU 66 Cb 0.67 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.80 2d86 h GLU 66 CO 0.05 0.05 -0.59 0.96 -1.00 0.00 0.00 179.01 178.48 2d86 s ILE 67 N -4.45 4.61 -0.88 3.13 -4.36 -0.97 -4.98 121.20 113.30 2d86 s ILE 67 Ca -0.04 -0.20 -0.25 0.00 -0.26 0.00 0.00 60.65 59.90 2d86 s ILE 67 Cb 0.14 -2.99 0.00 0.00 1.25 0.00 0.00 42.46 40.87 2d86 s ILE 67 CO 0.56 0.56 1.65 0.20 0.24 0.00 0.00 174.94 178.15 2d86 s ASN 68 N -1.08 5.82 0.61 4.36 0.01 -1.26 -4.81 114.94 118.60 2d86 s ASN 68 Ca 0.15 -0.80 0.28 0.00 -0.71 0.00 0.00 52.86 51.79 2d86 s ASN 68 Cb -0.12 -2.56 1.48 0.00 0.41 0.00 0.00 41.25 40.46 2d86 s ASN 68 CO 0.05 -2.09 1.87 -0.07 -1.51 0.00 0.00 177.10 175.35 2d86 h LEU 69 N 15.03 0.00 -7.20 0.60 3.38 -1.92 -3.16 115.31 122.05 2d86 h LEU 69 Ca 0.03 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.37 2d86 h LEU 69 Cb 1.04 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.37 2d86 h LEU 69 CO 1.30 0.00 -0.64 -0.60 0.09 0.00 0.00 178.44 178.60 2d86 s ARG 70 N -4.45 2.00 0.00 1.13 6.06 -1.26 -4.93 118.95 117.50 2d86 s ARG 70 Ca -0.04 -2.75 0.14 0.00 -2.50 0.00 0.00 55.73 50.58 2d86 s ARG 70 Cb 0.13 -3.15 0.83 0.00 0.06 0.00 0.00 34.95 32.83 2d86 s ARG 70 CO 0.46 -1.18 1.25 -0.35 -2.50 0.00 0.00 175.30 172.98 2d86 n PRO 71 N 2.79 0.49 -3.80 5.12 -0.04 -1.20 -4.85 135.00 133.52 2d86 n PRO 71 Ca 0.11 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.33 2d86 n PRO 71 Cb 0.34 -1.45 -0.07 0.00 -0.04 0.00 0.00 33.50 32.28 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 -0.95 -0.93 -4.21 0.54 6.02 -1.26 0.93 117.38 117.52 2d86 n GLN 72 Ca 0.10 0.07 -0.30 0.00 -0.01 0.00 0.00 57.00 56.87 2d86 n GLN 72 Cb 0.05 -2.74 -0.09 0.00 1.02 0.00 0.00 30.24 28.48 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 -3.50 -0.92 -3.44 -1.09 2.81 -1.26 -4.92 117.12 104.80 2d86 n MET 73 Ca -0.18 0.09 -0.22 0.00 -1.81 0.00 0.00 57.70 55.58 2d86 n MET 73 Cb 0.47 -3.44 0.01 0.00 -0.71 0.00 0.00 33.22 29.55 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 -4.19 5.00 -0.22 7.83 0.01 0.26 -5.06 113.70 117.34 2d86 s SER 74 Ca 0.07 -0.89 0.04 0.00 1.31 0.00 0.00 55.95 56.48 2d86 s SER 74 Cb -0.04 -0.01 -0.20 0.00 0.21 0.00 0.00 66.02 65.98 2d86 s SER 74 CO 0.94 -1.02 -0.05 1.67 0.41 0.00 0.00 173.24 175.19 2d86 n GLN 75 N -1.86 0.67 0.06 12.44 7.27 -1.26 -3.85 117.38 130.85 2d86 n GLN 75 Ca 0.06 0.14 -0.09 0.00 0.07 0.00 0.00 57.00 57.19 2d86 n GLN 75 Cb 0.62 -1.56 -0.06 0.00 2.41 0.00 0.00 30.24 31.65 2d86 n GLN 75 CO 0.00 0.00 0.00 0.74 0.07 0.00 0.00 177.06 177.87 2d86 h PHE 76 N 0.01 -0.23 0.29 3.69 -1.00 -1.97 -2.77 116.94 114.96 2d86 h PHE 76 Ca -0.54 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.24 2d86 h PHE 76 Cb 1.99 0.08 -0.03 0.00 3.61 0.00 0.00 35.95 41.60 2d86 h PHE 76 CO 0.03 0.11 -0.40 -0.07 -1.61 0.00 0.00 178.31 176.37 2d86 h LEU 77 N -0.96 -1.13 -0.16 1.54 3.38 -1.86 0.71 115.31 116.83 2d86 h LEU 77 Ca -0.03 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2d86 h LEU 77 Cb 0.45 0.40 -0.07 0.00 0.09 0.00 0.00 40.66 41.53 2d86 h LEU 77 CO 0.04 -0.52 -0.54 0.00 0.09 0.00 0.00 178.44 177.52 2d86 h LEU 79 N -0.56 -0.97 -0.49 0.00 3.38 -1.34 -2.09 115.31 113.24 2d86 h LEU 79 Ca 0.04 0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.25 2d86 h LEU 79 Cb 0.67 0.42 -0.10 0.00 0.09 0.00 0.00 40.66 41.74 2d86 h LEU 79 CO -0.45 -0.35 -0.25 0.50 0.09 0.00 0.00 178.44 177.98 2d86 h LYS 80 N -0.37 -0.14 -0.29 1.13 3.11 -0.29 -1.81 116.57 117.91 2d86 h LYS 80 Ca 0.10 0.01 0.05 0.00 -2.81 0.00 0.00 60.65 58.01 2d86 h LYS 80 Cb 0.53 0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 31.72 2d86 h LYS 80 CO -0.36 -0.09 -0.46 -0.91 -2.81 0.00 0.00 179.45 174.82 2d86 h ASN 81 N -0.14 -1.49 -0.38 4.20 4.21 -0.31 -2.16 115.58 119.50 2d86 h ASN 81 Ca 0.22 0.21 0.06 0.00 1.21 0.00 0.00 56.30 58.00 2d86 h ASN 81 Cb 0.49 0.62 -0.08 0.00 -1.12 0.00 0.00 38.32 38.23 2d86 h ASN 81 CO -0.57 -0.41 -0.49 0.40 -1.29 0.00 0.00 177.43 175.07 2d86 h ILE 82 N -0.42 0.06 -0.81 2.81 2.04 -0.86 -1.60 117.51 118.72 2d86 h ILE 82 Ca 0.10 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.08 2d86 h ILE 82 Cb 0.61 0.06 -0.14 0.00 -0.74 0.00 0.00 36.82 36.62 2d86 h ILE 82 CO -0.51 0.00 -0.40 0.03 0.00 0.00 0.00 178.15 177.27 2d86 h ARG 83 N -0.38 -0.08 -0.99 2.37 3.08 -0.82 0.16 114.38 117.72 2d86 h ARG 83 Ca 0.10 0.01 0.22 0.00 0.07 0.00 0.00 59.98 60.38 2d86 h ARG 83 Cb 0.60 0.02 -0.19 0.00 0.08 0.00 0.00 29.97 30.48 2d86 h ARG 83 CO -0.57 -0.05 -0.16 1.15 -1.07 0.00 0.00 179.97 179.27 2d86 h THR 84 N -0.08 0.01 0.74 2.04 2.02 -0.75 0.77 112.91 117.66 2d86 h THR 84 Ca 0.27 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.42 2d86 h THR 84 Cb 0.56 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2d86 h THR 84 CO -0.85 0.00 -0.43 0.15 0.37 0.00 0.00 175.52 174.76 2d86 h PHE 85 N 0.00 -1.13 -0.85 3.16 3.57 -0.60 -1.95 116.94 119.15 2d86 h PHE 85 Ca 0.52 -0.02 0.25 0.00 3.53 0.00 0.00 57.97 62.25 2d86 h PHE 85 Cb 0.89 0.40 -0.03 0.00 2.79 0.00 0.00 35.95 39.99 2d86 h PHE 85 CO -0.68 -0.66 0.66 -0.07 -2.23 0.00 0.00 178.31 175.34 2d86 h LEU 86 N -1.09 0.00 -0.11 0.59 3.38 -0.64 0.65 115.31 118.09 2d86 h LEU 86 Ca -0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2d86 h LEU 86 Cb 0.87 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2d86 h LEU 86 CO 0.12 0.00 -0.17 0.74 0.09 0.00 0.00 178.44 179.22 2d86 h THR 87 N 0.00 1.38 -0.32 0.22 2.02 -0.30 -3.14 112.91 112.77 2d86 h THR 87 Ca 0.40 -1.41 0.02 0.00 0.77 0.00 0.00 66.41 66.19 2d86 h THR 87 Cb 1.73 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 70.17 2d86 h THR 87 CO -0.00 0.41 0.21 0.00 0.37 0.00 0.00 175.52 176.50 2d86 h ALA 88 N 0.54 1.85 -0.41 6.16 0.00 -0.20 0.08 119.26 127.29 2d86 h ALA 88 Ca 0.01 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.02 2d86 h ALA 88 Cb 0.73 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2d86 h ALA 88 CO 0.04 0.11 0.48 0.00 0.00 0.00 0.00 179.25 179.88 2d86 h GLU 91 N 0.00 -0.02 0.09 0.00 4.39 -0.18 -2.92 114.58 115.93 2d86 h GLU 91 Ca -0.25 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.45 2d86 h GLU 91 Cb 1.55 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.20 2d86 h GLU 91 CO 0.01 0.63 -0.04 1.15 -1.16 0.00 0.00 179.01 179.59 2d86 h THR 92 N -0.97 1.06 0.00 1.13 2.02 0.53 -3.42 112.91 113.25 2d86 h THR 92 Ca -0.00 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 65.77 2d86 h THR 92 Cb 0.66 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 2d86 h THR 92 CO 0.00 0.30 0.00 0.49 0.37 0.00 0.00 175.52 176.68 2d86 n PHE 93 N -4.83 0.00 0.00 3.16 3.01 -0.78 -5.04 117.46 112.98 2d86 n PHE 93 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 2d86 n PHE 93 Cb 0.29 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 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 1.85 0.94 4.01 1.37 0.00 0.23 -4.91 105.19 108.67 2d86 n GLY 94 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2d86 n GLY 94 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2d86 s MET 95 N 0.12 2.33 1.26 1.61 0.23 0.06 -4.92 119.30 120.00 2d86 s MET 95 Ca 0.00 -1.23 -0.16 0.00 -1.03 0.00 0.00 55.69 53.26 2d86 s MET 95 Cb 0.00 -2.56 0.32 0.00 -1.53 0.00 0.00 34.83 31.05 2d86 s MET 95 CO 0.00 -0.83 0.99 1.03 -2.03 0.00 0.00 175.02 174.18 2d86 s ARG 96 N -4.73 -1.69 -0.19 3.16 0.52 -1.26 -4.56 118.95 110.20 2d86 s ARG 96 Ca 0.60 0.56 0.09 0.00 -0.52 0.00 0.00 55.73 56.46 2d86 s ARG 96 Cb -0.08 -1.49 -0.18 0.00 0.52 0.00 0.00 34.95 33.73 2d86 s ARG 96 CO 0.39 -4.17 -0.06 1.17 0.02 0.00 0.00 175.30 172.65 2d86 n LYS 97 N -5.19 0.90 0.20 3.54 3.00 -1.26 -4.41 118.16 114.94 2d86 n LYS 97 Ca 0.06 0.05 0.10 0.00 -0.00 0.00 0.00 58.31 58.52 2d86 n LYS 97 Cb 0.56 -1.44 0.64 0.00 0.00 0.00 0.00 35.03 34.79 2d86 n LYS 97 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 2d86 h SER 98 N 0.00 0.03 -0.24 3.14 0.02 -2.04 -2.15 113.55 112.31 2d86 h SER 98 Ca -0.48 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.44 2d86 h SER 98 Cb 1.92 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 64.44 2d86 h SER 98 CO -0.02 0.02 0.01 -0.33 -1.14 0.00 0.00 176.83 175.37 2d86 h GLU 99 N 0.03 0.42 -6.35 3.45 3.07 -1.98 -3.45 114.58 109.78 2d86 h GLU 99 Ca 0.05 -0.13 -0.55 0.00 -0.50 0.00 0.00 59.36 58.23 2d86 h GLU 99 Cb 0.17 -0.04 0.21 0.00 -0.84 0.00 0.00 28.75 28.25 2d86 h GLU 99 CO -0.00 0.58 -1.10 1.28 -1.40 0.00 0.00 179.01 178.37 2d86 n LEU 100 N -4.66 -2.65 -4.85 1.33 4.77 -0.81 -4.51 117.00 105.62 2d86 n LEU 100 Ca -0.04 0.38 -0.29 0.00 -0.03 0.00 0.00 56.01 56.03 2d86 n LEU 100 Cb 0.23 -0.99 -0.05 0.00 -2.33 0.00 0.00 43.42 40.28 2d86 n LEU 100 CO 0.37 -4.59 -0.20 0.72 -1.33 0.00 0.00 177.39 172.37 2d86 s PHE 101 N -2.08 3.33 0.08 -1.77 -0.12 -1.26 -5.02 117.98 111.15 2d86 s PHE 101 Ca 0.52 0.12 -0.31 0.00 -0.05 0.00 0.00 56.93 57.22 2d86 s PHE 101 Cb -0.27 -1.66 -0.08 0.00 -0.63 0.00 0.00 43.02 40.38 2d86 s PHE 101 CO 0.71 0.54 1.63 -1.21 -0.05 0.00 0.00 175.22 176.84 2d86 s GLU 102 N -2.66 4.20 0.21 1.99 0.41 -1.26 -4.90 118.70 116.70 2d86 s GLU 102 Ca 0.32 2.32 -0.11 0.00 -0.41 0.00 0.00 54.97 57.09 2d86 s GLU 102 Cb -0.12 -3.52 0.28 0.00 -1.78 0.00 0.00 34.13 28.99 2d86 s GLU 102 CO 0.25 -0.70 1.67 0.00 -0.49 0.00 0.00 175.26 175.98 2d86 h ALA 103 N 8.04 0.59 0.10 5.21 0.00 -1.97 -1.86 119.26 129.37 2d86 h ALA 103 Ca -0.42 0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.68 2d86 h ALA 103 Cb 1.20 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 2d86 h ALA 103 CO 0.93 -0.39 -0.22 0.35 0.00 0.00 0.00 179.25 179.92 2d86 h PHE 104 N 0.12 -0.58 -1.56 0.00 3.57 -1.97 -0.68 116.94 115.85 2d86 h PHE 104 Ca 0.31 0.01 0.48 0.00 3.53 0.00 0.00 57.97 62.30 2d86 h PHE 104 Cb 0.50 0.24 -0.10 0.00 2.79 0.00 0.00 35.95 39.38 2d86 h PHE 104 CO -0.35 -0.31 1.08 -0.44 -2.23 0.00 0.00 178.31 176.06 2d86 h ASP 105 N -0.40 0.11 0.01 0.41 3.32 -1.71 0.25 116.42 118.42 2d86 h ASP 105 Ca 0.03 0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.02 2d86 h ASP 105 Cb 0.43 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 2d86 h ASP 105 CO -0.13 -0.08 -0.63 0.25 -1.72 0.00 0.00 179.24 176.92 2d86 h LEU 106 N 0.04 0.05 0.06 1.55 5.85 -1.11 0.89 115.31 122.65 2d86 h LEU 106 Ca 0.83 -0.79 0.02 0.00 0.84 0.00 0.00 57.88 58.78 2d86 h LEU 106 Cb 3.01 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 43.97 2d86 h LEU 106 CO -0.20 1.26 -0.51 0.15 -0.34 0.00 0.00 178.44 178.80 2d86 h PHE 107 N -0.92 -1.48 -0.00 1.25 3.57 0.84 -0.85 116.94 119.35 2d86 h PHE 107 Ca -0.17 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.38 2d86 h PHE 107 Cb 1.20 0.64 0.00 0.00 2.79 0.00 0.00 35.95 40.58 2d86 h PHE 107 CO 0.19 -0.57 -0.05 -3.47 -2.23 0.00 0.00 178.31 172.18 2d86 n ASP 108 N -5.47 0.15 -3.28 0.41 -0.08 -0.12 -4.92 116.55 103.23 2d86 n ASP 108 Ca -0.08 -0.17 -0.18 0.00 -1.51 0.00 0.00 54.79 52.86 2d86 n ASP 108 Cb 0.40 -0.24 0.08 0.00 2.34 0.00 0.00 41.12 43.71 2d86 n ASP 108 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2d86 n VAL 109 N -1.24 -4.52 0.13 5.18 0.31 -0.33 -4.96 118.33 112.90 2d86 n VAL 109 Ca 0.13 -0.29 -0.06 0.00 -0.01 0.00 0.00 64.34 64.11 2d86 n VAL 109 Cb 0.27 -4.44 -0.03 0.00 -0.91 0.00 0.00 33.84 28.73 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 -2.03 -0.35 -3.70 5.55 2.47 0.55 -3.43 114.38 113.44 2d86 h ARG 110 Ca -0.54 0.02 -0.61 0.00 -1.26 0.00 0.00 59.98 57.60 2d86 h ARG 110 Cb 1.32 0.08 -0.40 0.00 -1.65 0.00 0.00 29.97 29.32 2d86 h ARG 110 CO 0.48 -0.24 -0.74 -0.51 0.56 0.00 0.00 179.97 179.53 2d86 s ASP 111 N -3.79 4.14 0.18 7.04 1.11 -1.22 -4.97 116.67 119.15 2d86 s ASP 111 Ca -0.05 -2.01 -0.07 0.00 0.18 0.00 0.00 52.55 50.60 2d86 s ASP 111 Cb 0.01 -1.10 0.07 0.00 1.07 0.00 0.00 42.92 42.96 2d86 s ASP 111 CO 0.16 -0.37 1.53 0.15 1.18 0.00 0.00 175.17 177.82 2d86 h PHE 112 N 7.65 0.95 -1.25 4.23 3.57 -1.83 -3.11 116.94 127.14 2d86 h PHE 112 Ca -0.09 -0.27 0.40 0.00 3.53 0.00 0.00 57.97 61.54 2d86 h PHE 112 Cb 0.99 -0.20 -0.13 0.00 2.79 0.00 0.00 35.95 39.40 2d86 h PHE 112 CO 0.41 1.05 0.80 0.78 -2.23 0.00 0.00 178.31 179.12 2d86 h GLY 113 N 0.90 1.35 1.21 2.40 0.00 -1.98 0.95 103.07 107.89 2d86 h GLY 113 Ca 0.06 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 2d86 h GLY 113 CO 0.09 -0.38 0.11 0.50 0.00 0.00 0.00 176.54 176.86 2d86 h LYS 114 N 0.14 0.98 -0.31 4.80 1.57 -1.98 -2.23 116.57 119.54 2d86 h LYS 114 Ca 0.78 -0.24 -0.14 0.00 -1.87 0.00 0.00 60.65 59.19 2d86 h LYS 114 Cb 2.36 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 34.54 2d86 h LYS 114 CO -0.42 0.89 -0.36 0.28 -0.57 0.00 0.00 179.45 179.27 2d86 h VAL 115 N 0.93 1.29 -0.00 0.50 2.07 0.76 -3.05 116.25 118.74 2d86 h VAL 115 Ca 0.19 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.19 2d86 h VAL 115 Cb 0.38 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2d86 h VAL 115 CO 0.01 0.49 0.00 0.40 0.02 0.00 0.00 177.57 178.49 2d86 h ILE 116 N 0.58 1.14 -0.30 4.57 2.04 -1.10 -3.14 117.51 121.30 2d86 h ILE 116 Ca 0.06 -0.40 0.07 0.00 1.00 0.00 0.00 64.86 65.58 2d86 h ILE 116 Cb 0.89 1.41 -0.08 0.00 -0.74 0.00 0.00 36.82 38.30 2d86 h ILE 116 CO 0.08 0.11 -0.23 -0.08 0.00 0.00 0.00 178.15 178.03 2d86 h GLU 117 N -0.17 -0.19 -0.92 2.37 4.81 -1.41 -1.53 114.58 117.54 2d86 h GLU 117 Ca 0.00 0.01 0.22 0.00 -0.13 0.00 0.00 59.36 59.47 2d86 h GLU 117 Cb 0.17 0.04 -0.17 0.00 0.63 0.00 0.00 28.75 29.42 2d86 h GLU 117 CO -0.00 -0.13 -0.09 2.41 -0.73 0.00 0.00 179.01 180.47 2d86 n THR 118 N -5.37 -0.39 -0.12 0.32 -1.04 -1.15 0.10 114.28 106.63 2d86 n THR 118 Ca 0.00 2.06 -0.12 0.00 -2.04 0.00 0.00 64.05 63.96 2d86 n THR 118 Cb 0.29 -2.94 -0.03 0.00 -1.82 0.00 0.00 70.33 65.83 2d86 n THR 118 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2d86 h LEU 119 N 0.00 0.74 -1.33 -4.42 3.38 -1.35 -1.55 115.31 110.79 2d86 h LEU 119 Ca 0.51 -0.39 0.29 0.00 0.09 0.00 0.00 57.88 58.38 2d86 h LEU 119 Cb 0.94 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 41.38 2d86 h LEU 119 CO -0.90 0.96 0.69 0.28 0.09 0.00 0.00 178.44 179.56 2d86 h SER 120 N 0.51 0.43 0.00 -0.43 0.02 0.13 -1.86 113.55 112.35 2d86 h SER 120 Ca 0.08 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 2d86 h SER 120 Cb 0.66 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 2d86 h SER 120 CO 0.05 0.03 -0.38 0.03 -1.14 0.00 0.00 176.83 175.42 2d86 h ARG 121 N 0.35 0.00 -0.75 3.45 3.08 -1.23 -3.37 114.38 115.91 2d86 h ARG 121 Ca 0.64 0.00 0.23 0.00 0.07 0.00 0.00 59.98 60.93 2d86 h ARG 121 Cb 1.67 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.58 2d86 h ARG 121 CO -0.34 0.33 0.12 -0.11 -1.07 0.00 0.00 179.97 178.90 2d86 n LEU 122 N -4.64 0.00 -0.26 3.04 7.94 -0.60 0.14 117.00 122.62 2d86 n LEU 122 Ca -0.09 1.26 0.04 0.00 -1.11 0.00 0.00 56.01 56.11 2d86 n LEU 122 Cb 0.28 -0.50 0.14 0.00 0.53 0.00 0.00 43.42 43.87 2d86 n LEU 122 CO 0.12 -1.32 0.78 0.77 -1.11 0.00 0.00 177.39 176.64 2d86 h SER 123 N 0.00 -0.49 -1.17 1.96 4.64 -1.51 0.33 113.55 117.30 2d86 h SER 123 Ca 0.50 0.21 0.41 0.00 -0.47 0.00 0.00 61.79 62.44 2d86 h SER 123 Cb 1.13 0.40 -0.15 0.00 -0.31 0.00 0.00 62.40 63.48 2d86 h SER 123 CO -0.67 -0.22 0.71 0.03 -0.87 0.00 0.00 176.83 175.82 2d86 h ARG 124 N 0.06 0.11 -6.13 4.77 3.08 1.00 -3.30 114.38 113.96 2d86 h ARG 124 Ca 0.40 -0.01 -0.60 0.00 0.07 0.00 0.00 59.98 59.84 2d86 h ARG 124 Cb 0.69 -0.02 0.17 0.00 0.08 0.00 0.00 29.97 30.88 2d86 h ARG 124 CO -0.72 0.07 -0.87 0.25 -1.07 0.00 0.00 179.97 177.62 2d86 n THR 125 N -4.91 0.78 0.95 2.04 -2.24 0.12 -4.77 114.28 106.24 2d86 n THR 125 Ca 0.36 -0.50 0.08 0.00 -2.27 0.00 0.00 64.05 61.72 2d86 n THR 125 Cb 1.30 -0.18 0.46 0.00 -2.10 0.00 0.00 70.33 69.81 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 1.08 0.46 -0.09 -0.78 -0.04 -1.26 -2.75 135.00 131.62 2d86 n PRO 126 Ca 0.10 0.01 -0.21 0.00 -0.04 0.00 0.00 63.50 63.36 2d86 n PRO 126 Cb 0.44 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.02 1.59 -0.16 0.52 -0.00 -1.26 -3.39 119.36 115.63 2d86 n ILE 127 Ca 0.11 -0.54 -0.10 0.00 -0.00 0.00 0.00 62.75 62.22 2d86 n ILE 127 Cb 0.06 -1.62 -0.00 0.00 -0.00 0.00 0.00 39.64 38.08 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 -0.13 0.64 -0.17 -1.39 0.00 -1.68 -3.19 119.26 113.34 2d86 h ALA 128 Ca -0.53 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 53.97 2d86 h ALA 128 Cb 1.87 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 2d86 h ALA 128 CO -0.08 0.49 -0.27 -0.07 0.00 0.00 0.00 179.25 179.32 2d86 h LEU 129 N 0.72 0.54 -0.89 0.00 3.38 -1.62 -3.24 115.31 114.20 2d86 h LEU 129 Ca 0.13 -0.53 0.22 0.00 0.09 0.00 0.00 57.88 57.79 2d86 h LEU 129 Cb 0.59 -0.15 -0.17 0.00 0.09 0.00 0.00 40.66 41.02 2d86 h LEU 129 CO 0.04 0.96 -0.06 0.00 0.09 0.00 0.00 178.44 179.47 2d86 n ALA 130 N -2.48 0.38 -0.20 1.53 0.00 -1.21 0.22 120.51 118.76 2d86 n ALA 130 Ca -0.06 0.96 -0.00 0.00 0.00 0.00 0.00 53.44 54.34 2d86 n ALA 130 Cb 0.45 -0.66 0.23 0.00 0.00 0.00 0.00 19.45 19.47 2d86 n ALA 130 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2d86 h THR 131 N 0.00 1.20 0.00 0.00 1.35 -1.61 -3.47 112.91 110.39 2d86 h THR 131 Ca 0.50 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 2d86 h THR 131 Cb 0.96 0.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 2d86 h THR 131 CO -0.86 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 175.23 2d86 n GLY 132 N -1.28 1.35 3.80 5.82 0.00 0.60 -5.08 105.19 110.40 2d86 n GLY 132 Ca 0.07 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 4.38 -0.87 -0.61 1.01 -1.26 -4.87 121.20 116.98 2d86 s ILE 133 Ca 0.00 1.54 -0.26 0.00 0.00 0.00 0.00 60.65 61.93 2d86 s ILE 133 Cb 0.00 -3.85 -0.20 0.00 0.01 0.00 0.00 42.46 38.42 2d86 s ILE 133 CO 0.00 0.03 2.33 0.54 0.00 0.00 0.00 174.94 177.83 2d86 n ARG 134 N 0.25 0.00 -2.25 2.79 1.74 -1.26 -4.82 116.66 113.11 2d86 n ARG 134 Ca 0.02 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.70 2d86 n ARG 134 Cb 0.51 -1.28 -0.03 0.00 -1.02 0.00 0.00 32.46 30.64 2d86 n ARG 134 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2d86 s PRO 135 N 7.75 4.36 0.83 5.56 0.04 -1.26 -4.89 135.00 147.40 2d86 s PRO 135 Ca 1.19 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 64.11 2d86 s PRO 135 Cb -1.08 -3.02 0.07 0.00 0.04 0.00 0.00 34.50 30.51 2d86 s PRO 135 CO 0.43 -0.11 1.00 1.19 0.04 0.00 0.00 177.00 179.55 2d86 n PHE 136 N 0.74 0.59 -2.05 0.56 3.01 -1.26 -4.86 117.46 114.19 2d86 n PHE 136 Ca 0.01 0.38 -0.40 0.00 1.01 0.00 0.00 57.45 58.45 2d86 n PHE 136 Cb 0.44 -2.03 -0.03 0.00 -0.01 0.00 0.00 39.48 37.85 2d86 n PHE 136 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2d86 s PRO 137 N -3.91 2.83 -0.17 -1.08 0.04 -1.26 -4.77 135.00 126.68 2d86 s PRO 137 Ca 0.70 0.79 -0.01 0.00 0.04 0.00 0.00 61.00 62.52 2d86 s PRO 137 Cb -0.28 -4.33 -0.10 0.00 0.04 0.00 0.00 34.50 29.83 2d86 s PRO 137 CO 0.55 -2.49 -0.17 -1.13 0.04 0.00 0.00 177.00 173.80 2d86 n SER 138 N 12.01 2.35 -3.15 6.66 3.41 -1.26 -5.03 113.62 128.61 2d86 n SER 138 Ca 0.21 -0.01 -0.14 0.00 -0.26 0.00 0.00 58.87 58.66 2d86 n SER 138 Cb 0.51 -0.32 0.13 0.00 -0.26 0.00 0.00 64.21 64.27 2d86 n SER 138 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d86 n GLY 139 N 2.51 -3.36 3.72 5.00 0.00 -1.26 -4.98 105.19 106.82 2d86 n GLY 139 Ca -0.31 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 2d86 n GLY 139 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d86 s PRO 140 N -3.69 1.38 -0.17 1.61 0.04 -1.26 -5.08 135.00 127.83 2d86 s PRO 140 Ca 0.30 0.86 -0.09 0.00 0.04 0.00 0.00 61.00 62.12 2d86 s PRO 140 Cb -0.05 -1.82 0.06 0.00 0.04 0.00 0.00 34.50 32.73 2d86 s PRO 140 CO 0.26 -2.17 0.41 -1.54 0.04 0.00 0.00 177.00 173.99 2d86 s SER 141 N -3.42 -0.46 0.32 6.66 1.04 -1.26 -5.17 113.70 111.42 2d86 s SER 141 Ca 0.63 0.90 0.04 0.00 0.48 0.00 0.00 55.95 58.00 2d86 s SER 141 Cb -0.18 0.85 -0.03 0.00 0.10 0.00 0.00 66.02 66.76 2d86 s SER 141 CO 0.57 -0.20 0.18 -0.94 0.98 0.00 0.00 173.24 173.83 2d86 s SER 142 N 1.61 1.70 0.00 7.02 1.04 -1.26 -5.29 113.70 118.53 2d86 s SER 142 Ca -0.08 -1.62 0.00 0.00 0.48 0.00 0.00 55.95 54.73 2d86 s SER 142 Cb -0.09 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2d86 s SER 142 CO -0.13 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.77