#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jod h GLY 18 N 0.00 0.31 -5.82 3.03 0.00 -2.14 -3.45 103.07 95.00 2jod h GLY 18 Ca 0.00 -0.78 -0.66 0.00 0.00 0.00 0.00 47.33 45.89 2jod h GLY 18 CO 0.00 0.68 -0.80 -1.35 0.00 0.00 0.00 176.54 175.07 2jod s SER 19 N -7.02 3.66 0.19 0.19 1.04 -1.26 -5.12 113.70 105.38 2jod s SER 19 Ca -0.18 -0.45 0.06 0.00 0.48 0.00 0.00 55.95 55.86 2jod s SER 19 Cb 0.03 -1.56 -0.04 0.00 0.10 0.00 0.00 66.02 64.56 2jod s SER 19 CO 0.79 0.10 0.14 -0.32 0.98 0.00 0.00 173.24 174.94 2jod s MET 20 N 0.70 2.87 0.17 4.02 0.00 -1.26 -5.02 119.30 120.77 2jod s MET 20 Ca -0.07 -0.95 0.13 0.00 0.00 0.00 0.00 55.69 54.80 2jod s MET 20 Cb -0.16 -2.60 -0.07 0.00 0.00 0.00 0.00 34.83 32.01 2jod s MET 20 CO 0.02 0.46 1.24 0.00 0.00 0.00 0.00 175.02 176.73 2jod h ALA 21 N 2.16 0.58 -5.28 4.11 0.00 -2.03 -3.49 119.26 115.32 2jod h ALA 21 Ca -0.48 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 53.71 2jod h ALA 21 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jod h ALA 21 CO 0.62 0.92 -0.38 0.72 0.00 0.00 0.00 179.25 181.14 2jod n HIS 22 N -3.19 -3.35 0.19 0.00 -0.00 -1.26 -4.92 115.22 102.69 2jod n HIS 22 Ca -0.02 1.33 0.07 0.00 -0.00 0.00 0.00 57.72 59.11 2jod n HIS 22 Cb 0.83 -4.08 0.23 0.00 -0.00 0.00 0.00 29.99 26.98 2jod n HIS 22 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 2jod h SER 23 N 1.62 0.00 -0.02 0.41 0.02 -2.01 -3.22 113.55 110.35 2jod h SER 23 Ca 0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 2jod h SER 23 Cb 0.99 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.55 2jod h SER 23 CO 0.22 0.31 -0.68 0.44 -1.14 0.00 0.00 176.83 175.97 2jod h ASP 24 N 0.00 0.64 -2.02 3.07 3.32 -1.96 -3.33 116.42 116.13 2jod h ASP 24 Ca -0.00 -0.73 -0.79 0.00 0.02 0.00 0.00 57.03 55.52 2jod h ASP 24 Cb 1.06 -0.19 -0.23 0.00 0.22 0.00 0.00 39.33 40.18 2jod h ASP 24 CO 0.04 1.28 1.36 0.61 -1.72 0.00 0.00 179.24 180.81 2jod n GLY 25 N 1.00 5.85 0.00 2.75 0.00 -1.22 -4.41 105.19 109.17 2jod n GLY 25 Ca -0.10 -2.46 0.03 0.00 0.00 0.00 0.00 46.02 43.50 2jod n GLY 25 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2jod n ILE 26 N 0.50 0.00 -4.09 -0.61 0.00 -1.24 -4.95 119.36 108.97 2jod n ILE 26 Ca 0.49 -0.18 -0.31 0.00 0.00 0.00 0.00 62.75 62.75 2jod n ILE 26 Cb 0.26 0.46 -0.08 0.00 0.00 0.00 0.00 39.64 40.28 2jod n ILE 26 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2jod n PHE 27 N -1.63 -1.04 -2.95 9.51 3.01 -1.26 -4.47 117.46 118.63 2jod n PHE 27 Ca -0.01 0.56 0.00 0.00 1.01 0.00 0.00 57.45 59.01 2jod n PHE 27 Cb 0.16 -2.03 0.00 0.00 -0.01 0.00 0.00 39.48 37.60 2jod n PHE 27 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2jod n LYS 28 N -3.84 0.00 0.02 -1.08 4.81 -1.26 -2.04 118.16 114.77 2jod n LYS 28 Ca -0.10 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.46 2jod n LYS 28 Cb 0.50 0.00 0.29 0.00 0.02 0.00 0.00 35.03 35.84 2jod n LYS 28 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2jod n LYS 29 N 7.79 0.07 0.04 1.64 5.02 -1.26 -4.19 118.16 127.26 2jod n LYS 29 Ca 0.00 0.02 0.21 0.00 -2.02 0.00 0.00 58.31 56.52 2jod n LYS 29 Cb 0.00 -1.55 0.60 0.00 -0.02 0.00 0.00 35.03 34.07 2jod n LYS 29 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2jod h GLU 30 N 0.00 0.00 0.46 1.97 4.81 -1.70 0.30 114.58 120.42 2jod h GLU 30 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2jod h GLU 30 Cb 0.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2jod h GLU 30 CO 0.00 0.00 -0.22 0.37 -0.73 0.00 0.00 179.01 178.43 2jod h GLN 31 N 0.00 -0.59 0.00 1.92 4.15 -1.73 -2.18 115.11 116.68 2jod h GLN 31 Ca 0.26 0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.59 2jod h GLN 31 Cb 1.71 0.13 -0.02 0.00 0.21 0.00 0.00 27.48 29.51 2jod h GLN 31 CO -0.00 -0.29 -0.63 0.00 -1.93 0.00 0.00 178.83 175.98 2jod h ALA 32 N -0.61 0.60 -0.11 3.38 0.00 -1.63 -2.95 119.26 117.94 2jod h ALA 32 Ca -0.06 -0.57 -0.14 0.00 0.00 0.00 0.00 54.91 54.13 2jod h ALA 32 Cb 0.58 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2jod h ALA 32 CO 0.10 0.79 -0.49 0.52 0.00 0.00 0.00 179.25 180.17 2jod h MET 33 N 0.00 0.52 0.03 0.00 2.86 -1.05 -2.88 114.93 114.41 2jod h MET 33 Ca -0.01 -0.41 -0.27 0.00 -2.06 0.00 0.00 59.70 56.95 2jod h MET 33 Cb 1.48 0.08 0.02 0.00 0.06 0.00 0.00 31.60 33.24 2jod h MET 33 CO 0.08 1.04 -1.07 0.00 1.06 0.00 0.00 176.91 178.03 2jod h LEU 35 N 0.33 0.00 0.08 0.00 5.85 -1.61 -1.96 115.31 118.00 2jod h LEU 35 Ca -0.13 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.30 2jod h LEU 35 Cb 1.72 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.78 2jod h LEU 35 CO 0.20 0.00 -1.19 -0.08 -0.34 0.00 0.00 178.44 177.04 2jod h GLU 36 N 0.00 0.64 0.00 1.25 4.81 -1.47 -2.72 114.58 117.10 2jod h GLU 36 Ca 0.00 -0.80 -0.05 0.00 -0.13 0.00 0.00 59.36 58.38 2jod h GLU 36 Cb 0.31 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2jod h GLU 36 CO 0.00 1.36 -0.25 1.57 -0.73 0.00 0.00 179.01 180.96 2jod h LYS 37 N 0.31 0.00 0.00 1.92 2.10 -1.51 -3.10 116.57 116.29 2jod h LYS 37 Ca -0.17 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.33 2jod h LYS 37 Cb 1.85 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.16 2jod h LYS 37 CO 0.23 0.25 -0.73 0.82 -2.00 0.00 0.00 179.45 178.01 2jod h ILE 38 N 0.00 1.43 -0.02 0.07 2.04 -1.41 -2.39 117.51 117.23 2jod h ILE 38 Ca -0.00 -2.59 -0.10 0.00 1.00 0.00 0.00 64.86 63.16 2jod h ILE 38 Cb 1.19 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 39.69 2jod h ILE 38 CO 0.03 0.72 -0.47 -0.61 0.00 0.00 0.00 178.15 177.82 2jod h GLN 39 N 0.00 0.06 0.01 2.37 4.15 -1.41 0.72 115.11 121.01 2jod h GLN 39 Ca -0.01 -0.03 -0.20 0.00 0.77 0.00 0.00 58.65 59.18 2jod h GLN 39 Cb 1.37 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.05 2jod h GLN 39 CO 0.10 0.51 -0.90 -0.09 -1.93 0.00 0.00 178.83 176.51 2jod h ARG 40 N 0.05 0.14 0.00 1.69 9.65 -1.49 -3.00 114.38 121.42 2jod h ARG 40 Ca -0.00 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 2jod h ARG 40 Cb 0.84 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.47 2jod h ARG 40 CO 0.06 0.95 -0.14 0.00 2.80 0.00 0.00 179.97 183.64 2jod n ALA 41 N -2.44 2.57 0.01 2.80 0.00 -0.91 -2.68 120.51 119.86 2jod n ALA 41 Ca -0.03 -0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.16 2jod n ALA 41 Cb 0.83 -1.39 -0.09 0.00 0.00 0.00 0.00 19.45 18.81 2jod n ALA 41 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2jod h ASN 42 N 0.00 -0.10 1.41 0.00 -0.73 -0.71 -0.25 115.58 115.20 2jod h ASN 42 Ca 0.00 -0.50 -0.06 0.00 1.87 0.00 0.00 56.30 57.60 2jod h ASN 42 Cb 0.57 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.18 2jod h ASN 42 CO 0.00 0.54 -0.61 -0.33 -0.37 0.00 0.00 177.43 176.66 2jod h GLU 43 N -0.82 0.00 0.06 6.67 3.07 -1.67 -3.33 114.58 118.56 2jod h GLU 43 Ca -0.01 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.53 2jod h GLU 43 Cb 0.59 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.47 2jod h GLU 43 CO 0.02 0.22 -1.82 1.25 -1.40 0.00 0.00 179.01 177.28 2jod h LEU 44 N 0.00 0.19 0.00 1.33 6.46 -1.64 -3.49 115.31 118.16 2jod h LEU 44 Ca -0.03 -0.42 0.00 0.00 -0.12 0.00 0.00 57.88 57.31 2jod h LEU 44 Cb 1.23 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 2jod h LEU 44 CO 0.03 1.38 0.00 0.23 -0.62 0.00 0.00 178.44 179.46 2jod n MET 45 N -3.24 0.00 0.00 1.25 2.81 -0.10 -4.86 117.12 112.98 2jod n MET 45 Ca -0.23 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.66 2jod n MET 45 Cb 1.05 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.56 2jod n MET 45 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jod n GLY 46 N 0.00 0.00 0.12 3.03 0.00 -1.26 -4.99 105.19 102.09 2jod n GLY 46 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2jod n GLY 46 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jod n PHE 47 N 0.00 0.34 -4.78 1.61 3.72 -1.26 -5.04 117.46 112.05 2jod n PHE 47 Ca 0.00 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 2jod n PHE 47 Cb 0.00 -0.97 0.00 0.00 -0.94 0.00 0.00 39.48 37.57 2jod n PHE 47 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2jod n ASN 48 N -4.34 0.00 -4.02 4.37 3.02 -1.26 -3.93 115.26 109.10 2jod n ASN 48 Ca -0.42 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 53.73 2jod n ASN 48 Cb 0.76 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.91 2jod n ASN 48 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2jod n ASP 49 N 0.75 5.45 0.08 6.41 2.03 -1.26 -4.39 116.55 125.63 2jod n ASP 49 Ca 0.00 -3.28 0.00 0.00 0.52 0.00 0.00 54.79 52.03 2jod n ASP 49 Cb 0.00 -1.17 0.00 0.00 -0.72 0.00 0.00 41.12 39.23 2jod n ASP 49 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2jod n SER 50 N 1.75 -1.46 -3.39 1.67 3.41 -1.25 -5.03 113.62 109.30 2jod n SER 50 Ca 0.25 0.32 -0.26 0.00 -0.26 0.00 0.00 58.87 58.92 2jod n SER 50 Cb 0.36 1.67 -0.09 0.00 -0.26 0.00 0.00 64.21 65.89 2jod n SER 50 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2jod n SER 51 N -2.82 0.07 -3.09 4.04 7.64 -1.26 -5.14 113.62 113.07 2jod n SER 51 Ca 0.00 -2.54 -0.17 0.00 1.01 0.00 0.00 58.87 57.17 2jod n SER 51 Cb 0.00 -0.59 0.14 0.00 -1.01 0.00 0.00 64.21 62.75 2jod n SER 51 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2jod n PRO 52 N 2.40 -2.38 -0.15 1.43 -0.02 -1.26 -4.71 135.00 130.32 2jod n PRO 52 Ca 0.27 -0.95 0.00 0.00 -2.02 0.00 0.00 63.50 60.81 2jod n PRO 52 Cb 0.48 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 33.03 2jod n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jod n GLY 53 N -1.75 -0.33 3.88 -1.23 0.00 -1.26 -2.27 105.19 102.23 2jod n GLY 53 Ca 0.08 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 2jod n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jod n PRO 55 N -0.62 1.86 0.00 0.00 -0.04 -1.26 -3.29 135.00 131.65 2jod n PRO 55 Ca 0.01 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.15 2jod n PRO 55 Cb 0.53 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 2jod n PRO 55 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jod n GLY 56 N 1.14 2.88 3.53 0.55 0.00 -1.26 -4.01 105.19 108.02 2jod n GLY 56 Ca 0.15 -2.04 -0.08 0.00 0.00 0.00 0.00 46.02 44.05 2jod n GLY 56 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jod s MET 57 N -2.61 0.71 -0.08 1.61 1.75 -1.08 -4.95 119.30 114.66 2jod s MET 57 Ca 0.00 -0.22 0.01 0.00 -1.25 0.00 0.00 55.69 54.23 2jod s MET 57 Cb 0.00 0.33 0.02 0.00 2.84 0.00 0.00 34.83 38.02 2jod s MET 57 CO 0.00 -0.30 -0.09 -0.46 -0.65 0.00 0.00 175.02 173.52 2jod s TRP 58 N -2.79 1.35 0.00 4.11 -0.11 -1.26 -1.85 118.94 118.39 2jod s TRP 58 Ca 0.05 -0.55 0.00 0.00 1.22 0.00 0.00 56.10 56.82 2jod s TRP 58 Cb -0.01 -1.06 0.00 0.00 -1.50 0.00 0.00 33.47 30.90 2jod s TRP 58 CO -0.07 -0.35 0.00 -0.25 -4.62 0.00 0.00 176.95 171.66 2jod n ASP 59 N 4.27 0.74 -0.84 5.86 8.00 -1.10 -5.02 116.55 128.46 2jod n ASP 59 Ca -0.19 -0.45 0.03 0.00 0.71 0.00 0.00 54.79 54.89 2jod n ASP 59 Cb 0.51 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.74 2jod n ASP 59 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2jod n ASN 60 N -1.01 2.30 0.00 -2.24 5.03 -1.26 -4.40 115.26 113.67 2jod n ASN 60 Ca 0.00 -2.23 0.00 0.00 0.87 0.00 0.00 54.58 53.22 2jod n ASN 60 Cb 0.00 -0.46 0.00 0.00 -1.02 0.00 0.00 39.78 38.30 2jod n ASN 60 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2jod n ILE 61 N 0.23 0.00 -4.00 2.41 0.13 -1.26 -4.90 119.36 111.97 2jod n ILE 61 Ca 0.09 0.00 -0.08 0.00 -1.10 0.00 0.00 62.75 61.67 2jod n ILE 61 Cb 0.48 0.00 -0.09 0.00 -0.84 0.00 0.00 39.64 39.19 2jod n ILE 61 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 2jod s THR 62 N -0.18 0.19 -0.01 9.51 -1.32 -1.26 -3.30 115.64 119.28 2jod s THR 62 Ca 0.00 -1.56 -0.12 0.00 -1.21 0.00 0.00 61.69 58.80 2jod s THR 62 Cb 0.00 -1.45 -0.05 0.00 -1.51 0.00 0.00 72.50 69.49 2jod s THR 62 CO 0.00 -0.86 0.34 0.00 -2.21 0.00 0.00 174.62 171.89 2jod s TRP 64 N -1.14 2.48 0.44 0.00 0.52 -0.77 -4.84 118.94 115.63 2jod s TRP 64 Ca 0.24 -1.23 -0.08 0.00 0.02 0.00 0.00 56.10 55.04 2jod s TRP 64 Cb -0.15 -1.71 -0.05 0.00 -1.15 0.00 0.00 33.47 30.41 2jod s TRP 64 CO 0.12 -0.58 0.77 0.15 0.02 0.00 0.00 176.95 177.44 2jod s LYS 65 N 0.86 3.66 -0.35 4.98 3.01 -1.26 -2.62 119.74 128.02 2jod s LYS 65 Ca -0.07 0.33 -0.37 0.00 -1.01 0.00 0.00 55.97 54.85 2jod s LYS 65 Cb -0.15 -2.39 -0.13 0.00 -1.01 0.00 0.00 37.83 34.15 2jod s LYS 65 CO -0.02 -0.11 2.10 -2.30 0.51 0.00 0.00 175.35 175.54 2jod n PRO 66 N -1.72 1.00 -2.94 -1.68 -0.02 -1.26 -4.65 135.00 123.72 2jod n PRO 66 Ca 0.01 0.29 -0.18 0.00 -2.02 0.00 0.00 63.50 61.61 2jod n PRO 66 Cb 0.54 -2.29 0.03 0.00 -0.02 0.00 0.00 33.50 31.76 2jod n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jod s ALA 67 N 6.45 4.44 0.41 3.55 0.00 -1.21 -4.92 121.76 130.49 2jod s ALA 67 Ca 1.09 -1.72 0.07 0.00 0.00 0.00 0.00 51.96 51.39 2jod s ALA 67 Cb -0.96 -1.68 0.07 0.00 0.00 0.00 0.00 23.12 20.55 2jod s ALA 67 CO 0.54 -0.51 0.55 0.72 0.00 0.00 0.00 175.76 177.06 2jod n HIS 68 N -2.04 -2.43 -2.43 0.00 8.25 -1.26 -1.42 115.22 113.89 2jod n HIS 68 Ca 0.10 -1.50 -0.42 0.00 -0.26 0.00 0.00 57.72 55.64 2jod n HIS 68 Cb 0.60 -0.39 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 2jod n HIS 68 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2jod s VAL 69 N -1.55 4.17 -0.29 1.59 1.01 -0.96 -3.27 120.40 121.10 2jod s VAL 69 Ca 0.42 1.52 -0.01 0.00 0.00 0.00 0.00 61.98 63.91 2jod s VAL 69 Cb -0.03 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2jod s VAL 69 CO 0.27 0.02 0.16 0.61 0.00 0.00 0.00 175.10 176.15 2jod n GLY 70 N 3.37 0.52 3.40 4.51 0.00 0.31 -4.96 105.19 112.34 2jod n GLY 70 Ca 0.11 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 2jod n GLY 70 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jod s GLU 71 N -4.92 3.49 -0.41 1.61 2.56 -1.20 -4.89 118.70 114.94 2jod s GLU 71 Ca 0.08 -0.60 -0.06 0.00 0.00 0.00 0.00 54.97 54.38 2jod s GLU 71 Cb -0.03 -2.89 0.09 0.00 2.00 0.00 0.00 34.13 33.30 2jod s GLU 71 CO 0.10 0.07 0.23 1.41 -0.56 0.00 0.00 175.26 176.50 2jod s MET 72 N 0.79 2.37 -0.34 4.30 1.75 -1.26 -2.22 119.30 124.69 2jod s MET 72 Ca -0.02 -1.61 -0.22 0.00 -1.25 0.00 0.00 55.69 52.59 2jod s MET 72 Cb -0.15 -3.68 0.00 0.00 2.84 0.00 0.00 34.83 33.84 2jod s MET 72 CO 0.02 -1.00 0.71 0.08 -0.65 0.00 0.00 175.02 174.18 2jod s VAL 73 N 1.31 4.83 -0.49 10.11 1.01 -1.22 -4.87 120.40 131.08 2jod s VAL 73 Ca 0.04 0.84 -0.13 0.00 0.00 0.00 0.00 61.98 62.73 2jod s VAL 73 Cb -0.23 -4.12 0.11 0.00 0.00 0.00 0.00 36.38 32.14 2jod s VAL 73 CO -0.01 -0.31 0.40 -0.76 0.00 0.00 0.00 175.10 174.42 2jod s LEU 74 N 2.86 5.81 -0.30 3.92 1.02 -1.26 -3.60 118.68 127.13 2jod s LEU 74 Ca 0.28 -1.74 -0.06 0.00 0.02 0.00 0.00 54.13 52.63 2jod s LEU 74 Cb -0.14 -2.11 0.02 0.00 0.02 0.00 0.00 46.19 43.98 2jod s LEU 74 CO 0.14 -0.73 0.07 0.68 0.02 0.00 0.00 176.35 176.53 2jod s VAL 75 N 1.50 3.81 0.32 -1.59 -7.23 -1.26 -4.90 120.40 111.05 2jod s VAL 75 Ca 0.04 -0.82 0.07 0.00 -1.81 0.00 0.00 61.98 59.46 2jod s VAL 75 Cb -0.27 -3.00 -0.01 0.00 0.56 0.00 0.00 36.38 33.65 2jod s VAL 75 CO 0.02 0.04 0.42 -0.55 -0.31 0.00 0.00 175.10 174.72 2jod s SER 76 N 1.46 5.89 0.32 4.85 0.15 -1.26 -1.31 113.70 123.80 2jod s SER 76 Ca 0.01 -0.21 -0.27 0.00 0.70 0.00 0.00 55.95 56.19 2jod s SER 76 Cb -0.18 -1.26 -0.10 0.00 -1.71 0.00 0.00 66.02 62.78 2jod s SER 76 CO 0.02 -0.37 0.99 0.00 1.20 0.00 0.00 173.24 175.07 2jod s PRO 78 N -1.95 3.81 -0.15 0.00 0.02 -1.26 -4.06 135.00 131.42 2jod s PRO 78 Ca 0.50 2.34 -0.06 0.00 0.02 0.00 0.00 61.00 63.80 2jod s PRO 78 Cb -0.22 -4.21 0.02 0.00 0.02 0.00 0.00 34.50 30.12 2jod s PRO 78 CO 0.28 -1.32 0.12 0.39 -0.33 0.00 0.00 177.00 176.14 2jod n GLU 79 N 7.89 -2.82 0.00 5.54 -0.58 -1.26 -4.63 120.64 124.78 2jod n GLU 79 Ca 0.23 2.32 0.12 0.00 -0.42 0.00 0.00 57.16 59.41 2jod n GLU 79 Cb 0.43 -3.73 0.64 0.00 -0.57 0.00 0.00 31.44 28.20 2jod n GLU 79 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2jod n LEU 80 N 0.92 0.00 -0.07 -4.62 4.77 -1.26 -3.13 117.00 113.61 2jod n LEU 80 Ca -0.20 0.24 -0.07 0.00 -0.03 0.00 0.00 56.01 55.94 2jod n LEU 80 Cb 0.31 -0.24 -0.10 0.00 -2.33 0.00 0.00 43.42 41.06 2jod n LEU 80 CO 0.27 -0.05 -0.96 0.49 -1.33 0.00 0.00 177.39 175.82 2jod n PHE 81 N -1.24 0.00 -3.50 -1.77 3.01 -1.26 -4.74 117.46 107.96 2jod n PHE 81 Ca 0.13 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.32 2jod n PHE 81 Cb 0.18 -0.67 -0.09 0.00 -0.01 0.00 0.00 39.48 38.89 2jod n PHE 81 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2jod n ARG 82 N -2.57 2.35 -2.87 -1.08 1.74 -1.18 -4.97 116.66 108.07 2jod n ARG 82 Ca -0.23 -4.60 -0.43 0.00 -0.77 0.00 0.00 57.85 51.82 2jod n ARG 82 Cb 0.93 -2.23 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 2jod n ARG 82 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2jod s ILE 83 N -2.26 4.59 0.00 0.55 1.01 -1.22 -4.78 121.20 119.10 2jod s ILE 83 Ca 0.37 -1.38 0.00 0.00 0.00 0.00 0.00 60.65 59.64 2jod s ILE 83 Cb 0.12 -4.81 0.00 0.00 0.01 0.00 0.00 42.46 37.78 2jod s ILE 83 CO -0.04 -1.56 0.00 0.49 0.00 0.00 0.00 174.94 173.82 2jod n PHE 84 N 6.95 0.00 -2.63 3.97 3.01 -1.26 -4.92 117.46 122.57 2jod n PHE 84 Ca 0.23 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.26 2jod n PHE 84 Cb 0.49 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.94 2jod n PHE 84 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 2jod s ASN 85 N 0.27 6.96 -0.44 4.37 2.47 -1.26 -4.98 114.94 122.34 2jod s ASN 85 Ca 0.00 1.14 -0.22 0.00 0.42 0.00 0.00 52.86 54.20 2jod s ASN 85 Cb 0.00 -2.54 0.02 0.00 -1.45 0.00 0.00 41.25 37.28 2jod s ASN 85 CO 0.00 -0.84 0.74 -2.16 -3.72 0.00 0.00 177.10 171.12 2jod s PRO 86 N 3.56 3.40 -0.03 0.43 0.04 -1.26 -4.94 135.00 136.19 2jod s PRO 86 Ca 0.46 -0.16 -0.01 0.00 0.04 0.00 0.00 61.00 61.33 2jod s PRO 86 Cb -0.13 -3.93 -0.00 0.00 0.04 0.00 0.00 34.50 30.47 2jod s PRO 86 CO 0.13 -1.06 -0.02 0.22 0.04 0.00 0.00 177.00 176.31 2jod h ASP 87 N 8.91 0.00 -4.18 6.66 3.58 -1.99 -3.50 116.42 125.89 2jod h ASP 87 Ca -0.25 0.00 0.19 0.00 0.42 0.00 0.00 57.03 57.39 2jod h ASP 87 Cb 1.09 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 41.94 2jod h ASP 87 CO 0.93 0.18 0.70 0.00 -2.88 0.00 0.00 179.24 178.17 2jod s GLN 88 N -1.25 0.45 -0.21 0.28 -2.07 -1.26 -4.93 119.66 110.68 2jod s GLN 88 Ca -0.02 -0.09 -0.01 0.00 -1.82 0.00 0.00 55.36 53.42 2jod s GLN 88 Cb 0.00 0.21 0.00 0.00 -1.09 0.00 0.00 33.01 32.13 2jod s GLN 88 CO 0.03 -0.18 0.01 -0.25 -1.32 0.00 0.00 175.29 173.58 2jod n ASP 89 N 0.11 -5.74 -4.32 12.60 9.92 -1.26 -4.79 116.55 123.06 2jod n ASP 89 Ca -0.04 0.99 -0.17 0.00 -0.53 0.00 0.00 54.79 55.04 2jod n ASP 89 Cb 0.59 -3.98 -0.10 0.00 -0.64 0.00 0.00 41.12 36.99 2jod n ASP 89 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 2jod s MET 90 N -1.09 1.33 -0.18 -1.24 -1.94 -1.21 -3.82 119.30 111.15 2jod s MET 90 Ca -0.02 -1.68 -0.11 0.00 -1.71 0.00 0.00 55.69 52.18 2jod s MET 90 Cb 0.00 -0.53 0.04 0.00 2.01 0.00 0.00 34.83 36.35 2jod s MET 90 CO 0.54 -0.13 0.21 0.41 -0.01 0.00 0.00 175.02 176.04 2jod n GLY 91 N -0.41 -4.70 3.55 -0.03 0.00 -1.25 -3.99 105.19 98.35 2jod n GLY 91 Ca -0.04 1.57 -0.38 0.00 0.00 0.00 0.00 46.02 47.16 2jod n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jod s VAL 92 N -0.68 3.27 -0.13 1.61 0.11 -0.43 -4.57 120.40 119.58 2jod s VAL 92 Ca -0.24 0.16 0.02 0.00 -2.93 0.00 0.00 61.98 58.98 2jod s VAL 92 Cb 0.02 -3.70 0.02 0.00 -1.53 0.00 0.00 36.38 31.18 2jod s VAL 92 CO 0.72 -0.67 -0.18 0.54 -3.33 0.00 0.00 175.10 172.18 2jod s VAL 93 N 9.81 1.74 -0.52 2.04 0.11 -1.24 -4.60 120.40 127.74 2jod s VAL 93 Ca 0.75 -0.77 -0.19 0.00 -2.93 0.00 0.00 61.98 58.84 2jod s VAL 93 Cb -0.14 -1.58 0.07 0.00 -1.53 0.00 0.00 36.38 33.20 2jod s VAL 93 CO 0.22 0.49 0.62 -0.44 -3.33 0.00 0.00 175.10 172.66 2jod s SER 94 N 1.08 6.21 -0.20 3.54 0.01 -1.00 -4.16 113.70 119.18 2jod s SER 94 Ca -0.03 -1.04 -0.04 0.00 1.31 0.00 0.00 55.95 56.15 2jod s SER 94 Cb -0.14 -2.28 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 2jod s SER 94 CO -0.05 -0.91 -0.03 -0.60 0.41 0.00 0.00 173.24 172.06 2jod s ARG 95 N 2.55 3.49 0.70 12.44 3.52 -1.24 -2.73 118.95 137.69 2jod s ARG 95 Ca 0.13 -0.58 -0.11 0.00 -0.13 0.00 0.00 55.73 55.04 2jod s ARG 95 Cb -0.20 -3.01 0.01 0.00 -1.56 0.00 0.00 34.95 30.19 2jod s ARG 95 CO 0.10 -0.06 1.07 1.21 -0.81 0.00 0.00 175.30 176.82 2jod s ASN 96 N 1.15 5.41 -0.35 -2.12 2.47 -1.26 -3.39 114.94 116.85 2jod s ASN 96 Ca 0.02 1.34 0.00 0.00 0.42 0.00 0.00 52.86 54.65 2jod s ASN 96 Cb -0.15 -2.20 0.14 0.00 -1.45 0.00 0.00 41.25 37.59 2jod s ASN 96 CO 0.00 -1.39 0.24 0.00 -3.72 0.00 0.00 177.10 172.23 2jod n THR 98 N 4.12 0.00 0.24 0.00 -2.24 -0.82 -0.53 114.28 115.06 2jod n THR 98 Ca 0.11 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.03 2jod n THR 98 Cb 0.39 -1.81 0.36 0.00 -2.10 0.00 0.00 70.33 67.17 2jod n THR 98 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2jod h GLU 99 N 0.00 0.00 0.00 -0.78 4.57 -1.96 -3.04 114.58 113.37 2jod h GLU 99 Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 2jod h GLU 99 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2jod h GLU 99 CO 0.00 0.02 -0.38 0.38 -1.18 0.00 0.00 179.01 177.84 2jod h ASP 100 N 0.00 0.00 0.00 1.04 2.03 -1.98 -3.50 116.42 114.01 2jod h ASP 100 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2jod h ASP 100 Cb 0.83 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.33 2jod h ASP 100 CO 0.00 0.38 0.00 0.61 -1.03 0.00 0.00 179.24 179.20 2jod n GLY 101 N 1.04 0.49 3.85 7.15 0.00 -1.15 -5.08 105.19 111.48 2jod n GLY 101 Ca 0.02 -1.22 -0.36 0.00 0.00 0.00 0.00 46.02 44.46 2jod n GLY 101 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jod s TRP 102 N -2.46 3.66 0.00 1.61 0.52 -1.26 -1.94 118.94 119.08 2jod s TRP 102 Ca 0.00 0.98 0.00 0.00 0.02 0.00 0.00 56.10 57.10 2jod s TRP 102 Cb 0.00 -2.29 0.00 0.00 -1.15 0.00 0.00 33.47 30.03 2jod s TRP 102 CO 0.00 0.55 0.00 0.43 0.02 0.00 0.00 176.95 177.95 2jod n SER 103 N 1.27 0.00 -4.90 2.95 7.64 -0.47 -4.95 113.62 115.15 2jod n SER 103 Ca -0.10 -0.13 -0.32 0.00 1.01 0.00 0.00 58.87 59.34 2jod n SER 103 Cb 0.52 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.67 2jod n SER 103 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2jod s GLU 104 N 1.13 3.55 0.27 1.43 0.41 -1.26 -4.83 118.70 119.40 2jod s GLU 104 Ca 0.00 -0.21 -0.30 0.00 -0.41 0.00 0.00 54.97 54.05 2jod s GLU 104 Cb 0.00 -2.95 -0.11 0.00 -1.78 0.00 0.00 34.13 29.29 2jod s GLU 104 CO 0.00 0.55 1.58 -1.25 -0.49 0.00 0.00 175.26 175.65 2jod s PRO 105 N -2.47 4.15 -0.30 0.39 0.04 -1.26 -4.54 135.00 131.01 2jod s PRO 105 Ca 0.37 2.53 -0.01 0.00 0.04 0.00 0.00 61.00 63.92 2jod s PRO 105 Cb -0.13 -3.05 0.19 0.00 0.04 0.00 0.00 34.50 31.56 2jod s PRO 105 CO 0.25 -0.61 0.72 0.12 0.04 0.00 0.00 177.00 177.52 2jod s PHE 106 N 0.15 -1.40 0.60 0.56 5.36 -1.11 -3.72 117.98 118.42 2jod s PHE 106 Ca 0.64 1.09 -0.18 0.00 -0.96 0.00 0.00 56.93 57.51 2jod s PHE 106 Cb -0.47 0.34 -0.05 0.00 -0.34 0.00 0.00 43.02 42.50 2jod s PHE 106 CO 0.45 -0.80 0.91 -2.30 -1.46 0.00 0.00 175.22 172.02 2jod n PRO 107 N 5.38 0.84 -0.72 10.12 -0.02 -1.26 -2.37 135.00 146.96 2jod n PRO 107 Ca 0.02 0.33 -0.29 0.00 -2.02 0.00 0.00 63.50 61.54 2jod n PRO 107 Cb 0.54 -2.10 0.22 0.00 -0.02 0.00 0.00 33.50 32.14 2jod n PRO 107 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2jod s HIS 108 N -1.54 1.58 0.00 6.00 2.46 -1.24 -4.48 115.29 118.06 2jod s HIS 108 Ca 0.75 1.19 0.00 0.00 0.47 0.00 0.00 55.06 57.47 2jod s HIS 108 Cb -0.42 -3.15 0.00 0.00 -0.13 0.00 0.00 32.58 28.88 2jod s HIS 108 CO 0.48 -3.52 0.00 0.66 -2.47 0.00 0.00 174.74 169.89 2jod n TYR 109 N -4.67 0.00 -3.39 3.88 4.01 -1.26 -4.86 117.16 110.87 2jod n TYR 109 Ca 0.04 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.61 2jod n TYR 109 Cb 0.55 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.65 2jod n TYR 109 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2jod n PHE 110 N 0.00 -2.26 -2.58 -0.72 -0.00 -1.26 -4.09 117.46 106.55 2jod n PHE 110 Ca 0.00 0.89 -0.06 0.00 -0.00 0.00 0.00 57.45 58.28 2jod n PHE 110 Cb 0.00 -4.66 0.01 0.00 -0.00 0.00 0.00 39.48 34.83 2jod n PHE 110 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 2jod n ASP 111 N -3.15 -6.81 0.00 -2.13 9.92 -1.26 -5.02 116.55 108.10 2jod n ASP 111 Ca -0.21 0.51 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 2jod n ASP 111 Cb 0.65 -4.55 0.00 0.00 -0.64 0.00 0.00 41.12 36.59 2jod n ASP 111 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jod n ALA 112 N -0.24 0.00 -2.53 2.24 0.00 -1.26 -4.85 120.51 113.87 2jod n ALA 112 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.16 2jod n ALA 112 Cb 0.33 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.72 2jod n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jod s GLY 114 N -1.30 1.46 -0.05 0.00 0.00 -1.26 -4.77 107.32 101.40 2jod s GLY 114 Ca 0.27 -1.67 0.04 0.00 0.00 0.00 0.00 44.72 43.35 2jod s GLY 114 CO 0.15 1.95 0.01 1.97 0.00 0.00 0.00 173.10 177.18 2jod n PHE 115 N 7.35 0.00 0.54 1.90 -1.74 -1.26 -4.57 117.46 119.68 2jod n PHE 115 Ca -0.03 0.00 0.11 0.00 -0.56 0.00 0.00 57.45 56.97 2jod n PHE 115 Cb 0.46 -0.23 0.26 0.00 1.52 0.00 0.00 39.48 41.49 2jod n PHE 115 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 2jod n ASP 116 N -2.23 2.96 -4.81 5.98 5.75 -1.26 -4.88 116.55 118.06 2jod n ASP 116 Ca -0.08 -1.93 -0.30 0.00 -0.01 0.00 0.00 54.79 52.47 2jod n ASP 116 Cb 0.65 -0.23 0.08 0.00 -1.03 0.00 0.00 41.12 40.59 2jod n ASP 116 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2jod s GLU 117 N -1.54 2.27 0.00 0.11 0.41 -1.26 -5.04 118.70 113.64 2jod s GLU 117 Ca 0.37 0.70 0.00 0.00 -0.41 0.00 0.00 54.97 55.63 2jod s GLU 117 Cb 0.21 -1.93 0.00 0.00 -1.78 0.00 0.00 34.13 30.63 2jod s GLU 117 CO 0.30 -1.51 0.00 2.48 -0.49 0.00 0.00 175.26 176.04 2jod n TYR 118 N -3.37 0.00 -3.14 1.61 4.11 -1.26 -4.69 117.16 110.42 2jod n TYR 118 Ca 0.07 0.00 -0.44 0.00 -0.00 0.00 0.00 57.90 57.53 2jod n TYR 118 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.90 2jod n TYR 118 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 2jod n GLU 119 N 0.00 3.50 -0.12 -3.48 -0.58 -1.26 -4.85 120.64 113.84 2jod n GLU 119 Ca 0.00 -4.18 0.06 0.00 -0.42 0.00 0.00 57.16 52.62 2jod n GLU 119 Cb 0.00 -2.77 0.39 0.00 -0.57 0.00 0.00 31.44 28.49 2jod n GLU 119 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 2jod h SER 120 N 6.80 0.58 -3.00 1.62 0.02 -1.92 -3.41 113.55 114.24 2jod h SER 120 Ca 0.25 -0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.66 2jod h SER 120 Cb 0.86 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.27 2jod h SER 120 CO 1.14 0.39 0.74 -0.70 -1.14 0.00 0.00 176.83 177.26 2jod s GLU 121 N -5.60 4.33 0.00 3.45 2.56 -1.26 -5.13 118.70 117.04 2jod s GLU 121 Ca -0.09 1.93 0.00 0.00 0.00 0.00 0.00 54.97 56.81 2jod s GLU 121 Cb 0.19 -3.45 0.00 0.00 2.00 0.00 0.00 34.13 32.87 2jod s GLU 121 CO 0.76 -0.47 0.00 2.41 -0.56 0.00 0.00 175.26 177.40