#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oco n SER 2 N 0.00 0.00 0.00 0.00 2.88 -1.26 -5.19 113.62 110.05 1oco n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1oco n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1oco n SER 2 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1oco n GLY 3 N 1.14 2.88 0.00 0.46 0.00 -1.26 -5.17 105.19 103.24 1oco n GLY 3 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1oco n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oco n GLY 4 N -1.27 5.67 0.00 -0.02 0.00 -1.26 -5.06 105.19 103.25 1oco n GLY 4 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1oco n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oco n GLY 5 N 1.99 1.65 3.78 -0.02 0.00 -1.26 -5.12 105.19 106.20 1oco n GLY 5 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1oco n GLY 5 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1oco s VAL 6 N -1.56 5.26 0.77 1.61 -7.23 -1.26 -5.07 120.40 112.92 1oco s VAL 6 Ca 0.00 0.59 -0.13 0.00 -1.81 0.00 0.00 61.98 60.63 1oco s VAL 6 Cb 0.00 -3.63 0.06 0.00 0.56 0.00 0.00 36.38 33.38 1oco s VAL 6 CO 0.00 0.47 1.18 -2.84 -0.31 0.00 0.00 175.10 173.60 1oco s PRO 7 N -0.18 1.92 0.39 4.82 0.02 -1.26 -5.04 135.00 135.68 1oco s PRO 7 Ca 0.19 1.64 0.08 0.00 0.02 0.00 0.00 61.00 62.92 1oco s PRO 7 Cb -0.14 -1.82 -0.01 0.00 0.02 0.00 0.00 34.50 32.55 1oco s PRO 7 CO 0.07 -1.98 0.46 0.95 -0.33 0.00 0.00 177.00 176.17 1oco s THR 8 N -2.24 3.16 0.10 0.99 -4.23 -1.26 -4.94 115.64 107.22 1oco s THR 8 Ca 0.71 -1.14 -0.15 0.00 -1.18 0.00 0.00 61.69 59.93 1oco s THR 8 Cb -0.26 -3.09 -0.07 0.00 1.34 0.00 0.00 72.50 70.42 1oco s THR 8 CO 0.49 -0.05 1.47 0.44 -0.54 0.00 0.00 174.62 176.43 1oco h ASP 9 N 0.87 0.69 -0.20 3.99 3.32 -1.96 0.37 116.42 123.50 1oco h ASP 9 Ca -0.42 -0.41 0.06 0.00 0.02 0.00 0.00 57.03 56.27 1oco h ASP 9 Cb 1.27 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1oco h ASP 9 CO 0.51 0.95 0.43 -0.08 -1.72 0.00 0.00 179.24 179.34 1oco h GLU 10 N 0.42 0.00 0.00 3.56 4.22 -1.95 0.31 114.58 121.15 1oco h GLU 10 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.51 1oco h GLU 10 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1oco h GLU 10 CO 0.05 0.00 0.00 -0.85 -2.18 0.00 0.00 179.01 176.03 1oco n GLU 11 N -3.22 4.74 0.00 1.92 0.28 -0.91 -4.81 120.64 118.64 1oco n GLU 11 Ca 0.03 -0.13 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 1oco n GLU 11 Cb 0.54 -0.63 0.00 0.00 1.43 0.00 0.00 31.44 32.78 1oco n GLU 11 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1oco n GLN 12 N -0.72 3.48 -2.17 3.44 7.27 0.13 -4.87 117.38 123.94 1oco n GLN 12 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.65 1oco n GLN 12 Cb 0.00 -0.41 -0.03 0.00 2.41 0.00 0.00 30.24 32.22 1oco n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1oco s ALA 13 N -0.68 3.58 0.00 1.69 0.00 0.92 -5.00 121.76 122.27 1oco s ALA 13 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1oco s ALA 13 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1oco s ALA 13 CO 0.00 -0.61 0.00 -2.37 0.00 0.00 0.00 175.76 172.78 1oco n THR 14 N 3.69 0.00 0.00 0.00 5.66 -1.26 -4.60 114.28 117.76 1oco n THR 14 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1oco n THR 14 Cb 0.42 -0.04 0.00 0.00 -1.55 0.00 0.00 70.33 69.16 1oco n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1oco n GLY 15 N 5.00 0.54 0.29 1.09 0.00 -1.26 0.70 105.19 111.55 1oco n GLY 15 Ca 0.00 -0.50 0.16 0.00 0.00 0.00 0.00 46.02 45.68 1oco n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1oco h LEU 16 N 0.00 0.00 -0.20 0.99 5.85 -1.99 -0.63 115.31 119.33 1oco h LEU 16 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1oco h LEU 16 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1oco h LEU 16 CO 0.00 0.04 0.10 -0.08 -0.34 0.00 0.00 178.44 178.16 1oco h GLU 17 N 0.00 0.29 -0.68 1.25 4.81 -1.93 0.01 114.58 118.34 1oco h GLU 17 Ca -0.00 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 1oco h GLU 17 Cb 0.16 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1oco h GLU 17 CO 0.01 0.32 0.14 -0.09 -0.73 0.00 0.00 179.01 178.65 1oco h ARG 18 N 0.20 1.11 -0.66 1.92 2.43 0.18 -0.28 114.38 119.28 1oco h ARG 18 Ca 0.07 -0.28 0.02 0.00 -0.81 0.00 0.00 59.98 58.98 1oco h ARG 18 Cb 0.12 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 1oco h ARG 18 CO -0.01 0.99 0.42 0.93 -1.51 0.00 0.00 179.97 180.80 1oco h GLU 19 N 1.04 0.82 0.00 0.20 5.08 -0.80 0.99 114.58 121.91 1oco h GLU 19 Ca 0.21 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1oco h GLU 19 Cb 0.41 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1oco h GLU 19 CO 0.01 0.54 -0.28 -0.39 -1.00 0.00 0.00 179.01 177.89 1oco h VAL 20 N 0.84 0.55 0.86 3.13 -1.51 -0.69 -2.60 116.25 116.84 1oco h VAL 20 Ca 0.25 -1.46 -0.04 0.00 -1.23 0.00 0.00 66.70 64.23 1oco h VAL 20 Cb -0.04 2.02 0.01 0.00 -2.13 0.00 0.00 31.29 31.15 1oco h VAL 20 CO -0.08 0.27 -0.41 -0.03 -1.23 0.00 0.00 177.57 176.09 1oco h MET 21 N 0.00 -1.12 0.18 5.19 1.85 0.95 -1.46 114.93 120.52 1oco h MET 21 Ca -0.00 0.08 -0.01 0.00 -0.61 0.00 0.00 59.70 59.15 1oco h MET 21 Cb 1.00 0.25 0.00 0.00 0.43 0.00 0.00 31.60 33.28 1oco h MET 21 CO 0.04 -0.74 -0.08 -0.07 -0.40 0.00 0.00 176.91 175.65 1oco h LEU 22 N -1.31 -0.20 -0.88 3.39 3.38 -1.22 -2.77 115.31 115.69 1oco h LEU 22 Ca -0.12 -0.09 0.23 0.00 0.09 0.00 0.00 57.88 57.99 1oco h LEU 22 Cb 0.89 0.05 -0.13 0.00 0.09 0.00 0.00 40.66 41.56 1oco h LEU 22 CO 0.19 -0.04 0.34 0.00 0.09 0.00 0.00 178.44 179.02 1oco h ALA 23 N 0.45 1.38 -0.88 1.53 0.00 -1.51 0.38 119.26 120.61 1oco h ALA 23 Ca -0.02 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1oco h ALA 23 Cb 0.27 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1oco h ALA 23 CO 0.04 -0.39 0.48 0.00 0.00 0.00 0.00 179.25 179.38 1oco h ALA 24 N 1.73 1.13 0.00 0.00 0.00 -1.04 -1.88 119.26 119.20 1oco h ALA 24 Ca 0.56 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1oco h ALA 24 Cb 1.08 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1oco h ALA 24 CO -0.57 0.63 -0.11 0.07 0.00 0.00 0.00 179.25 179.28 1oco h ARG 25 N 1.23 0.00 -0.03 0.00 0.11 -0.02 -1.52 114.38 114.15 1oco h ARG 25 Ca 0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.39 1oco h ARG 25 Cb 0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.11 1oco h ARG 25 CO -0.05 0.11 0.00 1.63 0.10 0.00 0.00 179.97 181.76 1oco n LYS 26 N -3.20 1.22 0.00 0.08 5.02 -0.52 -4.89 118.16 115.87 1oco n LYS 26 Ca 0.01 -0.33 0.00 0.00 -2.02 0.00 0.00 58.31 55.97 1oco n LYS 26 Cb 0.42 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 1oco n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oco n GLY 27 N 0.99 2.97 3.83 0.72 0.00 -0.57 -5.03 105.19 108.10 1oco n GLY 27 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1oco n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1oco s GLN 28 N -0.22 3.21 -0.49 1.61 -0.21 -0.94 -4.91 119.66 117.73 1oco s GLN 28 Ca 0.00 0.92 0.07 0.00 0.02 0.00 0.00 55.36 56.37 1oco s GLN 28 Cb 0.00 -2.03 0.24 0.00 1.00 0.00 0.00 33.01 32.22 1oco s GLN 28 CO 0.00 -0.88 0.56 -3.47 -2.12 0.00 0.00 175.29 169.39 1oco n ASP 29 N -2.83 1.34 0.22 5.90 2.03 -1.26 -3.43 116.55 118.52 1oco n ASP 29 Ca 0.07 -2.91 0.15 0.00 0.52 0.00 0.00 54.79 52.63 1oco n ASP 29 Cb 0.54 -0.65 0.69 0.00 -0.72 0.00 0.00 41.12 40.98 1oco n ASP 29 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1oco h PRO 30 N 4.33 0.00 -0.54 -0.67 0.13 -1.93 -3.19 132.00 130.14 1oco h PRO 30 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1oco h PRO 30 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1oco h PRO 30 CO 0.58 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.01 1oco n TYR 31 N -2.67 1.52 -3.91 1.56 4.01 -1.26 -4.99 117.16 111.42 1oco n TYR 31 Ca 0.00 -0.69 -0.29 0.00 -0.16 0.00 0.00 57.90 56.76 1oco n TYR 31 Cb 0.20 -0.33 0.02 0.00 -0.31 0.00 0.00 39.34 38.92 1oco n TYR 31 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1oco n ASN 32 N 0.63 -4.06 0.07 7.72 3.02 -1.20 -4.90 115.26 116.53 1oco n ASN 32 Ca 0.25 -0.81 -0.08 0.00 -0.03 0.00 0.00 54.58 53.91 1oco n ASN 32 Cb 0.96 -3.79 -0.11 0.00 -0.61 0.00 0.00 39.78 36.24 1oco n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1oco h ILE 33 N -2.01 1.68 -1.73 2.41 2.04 -1.94 -3.46 117.51 114.50 1oco h ILE 33 Ca -0.59 -3.32 -0.48 0.00 1.00 0.00 0.00 64.86 61.47 1oco h ILE 33 Cb 1.37 2.82 -0.02 0.00 -0.74 0.00 0.00 36.82 40.25 1oco h ILE 33 CO 0.66 0.95 -0.40 -0.76 0.00 0.00 0.00 178.15 178.61 1oco s LEU 34 N -6.81 3.62 -0.18 1.44 1.02 -1.26 -5.10 118.68 111.41 1oco s LEU 34 Ca 0.00 -0.49 -0.15 0.00 0.02 0.00 0.00 54.13 53.50 1oco s LEU 34 Cb 0.10 -2.30 -0.04 0.00 0.02 0.00 0.00 46.19 43.97 1oco s LEU 34 CO 0.82 -0.47 0.37 0.00 0.02 0.00 0.00 176.35 177.10 1oco s ALA 35 N -2.32 3.56 0.47 4.21 0.00 -1.26 -5.04 121.76 121.38 1oco s ALA 35 Ca 0.44 -0.49 -0.24 0.00 0.00 0.00 0.00 51.96 51.68 1oco s ALA 35 Cb -0.06 -2.57 -0.08 0.00 0.00 0.00 0.00 23.12 20.41 1oco s ALA 35 CO 0.28 -0.18 1.23 -2.30 0.00 0.00 0.00 175.76 174.80 1oco n PRO 36 N 4.18 1.70 -4.01 0.00 -0.02 -1.26 -4.97 135.00 130.62 1oco n PRO 36 Ca -0.09 0.62 -0.35 0.00 -2.02 0.00 0.00 63.50 61.65 1oco n PRO 36 Cb 0.51 -2.37 -0.08 0.00 -0.02 0.00 0.00 33.50 31.53 1oco n PRO 36 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1oco s LYS 37 N -2.41 3.66 0.72 -0.52 0.00 -1.26 -5.08 119.74 114.85 1oco s LYS 37 Ca 0.65 -0.28 -0.14 0.00 0.00 0.00 0.00 55.97 56.20 1oco s LYS 37 Cb -0.48 -3.15 0.04 0.00 0.00 0.00 0.00 37.83 34.24 1oco s LYS 37 CO 0.55 0.50 1.15 0.00 0.00 0.00 0.00 175.35 177.54 1oco s ALA 38 N -0.26 2.21 0.54 0.59 0.00 -1.26 -5.03 121.76 118.55 1oco s ALA 38 Ca 0.09 0.64 0.03 0.00 0.00 0.00 0.00 51.96 52.71 1oco s ALA 38 Cb -0.12 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.65 1oco s ALA 38 CO 0.01 -1.70 0.21 0.25 0.00 0.00 0.00 175.76 174.53 1oco n THR 39 N -2.84 0.00 0.29 0.00 -2.24 -1.26 -4.99 114.28 103.23 1oco n THR 39 Ca 0.11 -2.34 0.18 0.00 -2.27 0.00 0.00 64.05 59.74 1oco n THR 39 Cb 0.51 0.23 0.97 0.00 -2.10 0.00 0.00 70.33 69.95 1oco n THR 39 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1oco h SER 40 N 0.95 0.00 -0.45 3.42 4.64 -1.94 -3.45 113.55 116.72 1oco h SER 40 Ca -0.39 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.73 1oco h SER 40 Cb 1.30 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.31 1oco h SER 40 CO 0.64 0.00 -0.18 0.61 -0.87 0.00 0.00 176.83 177.03 1oco n GLY 41 N -1.16 1.00 3.69 -0.77 0.00 -0.59 -4.96 105.19 102.39 1oco n GLY 41 Ca -0.02 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1oco n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1oco s THR 42 N -2.03 1.72 0.34 2.61 -4.23 -1.21 -1.28 115.64 111.56 1oco s THR 42 Ca 0.00 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 60.72 1oco s THR 42 Cb 0.00 -2.63 0.21 0.00 1.34 0.00 0.00 72.50 71.41 1oco s THR 42 CO 0.00 0.00 1.93 0.50 -0.54 0.00 0.00 174.62 176.51 1oco h LYS 43 N -2.29 0.00 -0.18 3.99 3.64 -1.97 -2.73 116.57 117.03 1oco h LYS 43 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1oco h LYS 43 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1oco h LYS 43 CO 0.36 0.23 0.00 -0.85 -2.27 0.00 0.00 179.45 176.93 1oco n GLU 44 N -3.76 2.20 -2.82 1.90 0.00 -1.26 -4.44 120.64 112.46 1oco n GLU 44 Ca -0.01 -1.98 -0.12 0.00 0.00 0.00 0.00 57.16 55.05 1oco n GLU 44 Cb 0.34 -1.44 0.02 0.00 0.00 0.00 0.00 31.44 30.35 1oco n GLU 44 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1oco n ASP 45 N 1.29 1.02 -4.74 -1.84 2.03 -1.05 -5.10 116.55 108.17 1oco n ASP 45 Ca 0.15 -2.81 -0.33 0.00 0.52 0.00 0.00 54.79 52.33 1oco n ASP 45 Cb 0.56 -0.43 0.09 0.00 -0.72 0.00 0.00 41.12 40.62 1oco n ASP 45 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1oco s PRO 46 N -2.69 2.17 -0.05 -0.67 0.04 -1.11 -1.55 135.00 131.14 1oco s PRO 46 Ca 0.30 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.52 1oco s PRO 46 Cb 0.42 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 33.06 1oco s PRO 46 CO -0.00 -1.75 1.20 -0.80 0.04 0.00 0.00 177.00 175.69 1oco s ASN 47 N -2.62 7.05 -0.46 6.66 0.01 -0.46 -4.78 114.94 120.34 1oco s ASN 47 Ca 0.68 1.82 -0.23 0.00 -0.71 0.00 0.00 52.86 54.42 1oco s ASN 47 Cb -0.23 -2.56 0.03 0.00 0.41 0.00 0.00 41.25 38.90 1oco s ASN 47 CO 0.49 -0.58 0.79 -0.76 -1.51 0.00 0.00 177.10 175.52 1oco s LEU 48 N 2.20 4.27 -0.58 0.60 1.43 -1.26 -0.06 118.68 125.28 1oco s LEU 48 Ca 0.56 -0.16 -0.20 0.00 -1.03 0.00 0.00 54.13 53.31 1oco s LEU 48 Cb -0.25 -2.93 0.09 0.00 0.03 0.00 0.00 46.19 43.12 1oco s LEU 48 CO 0.22 -0.93 0.74 -0.69 0.23 0.00 0.00 176.35 175.92 1oco s VAL 49 N 3.30 4.74 0.61 -1.59 1.01 -0.11 -4.91 120.40 123.44 1oco s VAL 49 Ca 0.29 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 1oco s VAL 49 Cb -0.12 -4.48 -0.03 0.00 0.00 0.00 0.00 36.38 31.75 1oco s VAL 49 CO 0.22 -1.11 1.16 -2.84 0.00 0.00 0.00 175.10 172.54 1oco s PRO 50 N 2.94 2.97 -0.19 2.72 0.02 -1.26 -0.85 135.00 141.35 1oco s PRO 50 Ca 0.15 1.67 -0.21 0.00 0.02 0.00 0.00 61.00 62.62 1oco s PRO 50 Cb -0.21 -1.95 0.06 0.00 0.02 0.00 0.00 34.50 32.42 1oco s PRO 50 CO 0.09 -1.17 0.59 0.45 -0.33 0.00 0.00 177.00 176.62 1oco s SER 51 N -1.88 -0.60 -0.02 2.53 0.15 0.18 -4.77 113.70 109.29 1oco s SER 51 Ca 0.74 1.09 0.09 0.00 0.70 0.00 0.00 55.95 58.57 1oco s SER 51 Cb -0.26 1.10 0.29 0.00 -1.71 0.00 0.00 66.02 65.43 1oco s SER 51 CO 0.34 -0.26 1.19 0.00 1.20 0.00 0.00 173.24 175.71 1oco n ILE 52 N 2.51 0.55 -1.75 6.45 3.06 -1.26 -0.38 119.36 128.53 1oco n ILE 52 Ca -0.15 -0.45 0.00 0.00 -2.50 0.00 0.00 62.75 59.66 1oco n ILE 52 Cb 0.56 0.10 0.00 0.00 0.54 0.00 0.00 39.64 40.84 1oco n ILE 52 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 1oco n THR 53 N 0.38 0.00 -0.25 9.51 -1.04 -1.26 -4.97 114.28 116.66 1oco n THR 53 Ca 0.11 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.15 1oco n THR 53 Cb 0.33 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.91 1oco n THR 53 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1oco n ASN 54 N 0.00 2.37 -3.63 8.00 6.94 -1.26 -4.94 115.26 122.74 1oco n ASN 54 Ca 0.00 -2.21 -0.13 0.00 -0.02 0.00 0.00 54.58 52.22 1oco n ASN 54 Cb 0.00 -0.14 -0.07 0.00 -2.36 0.00 0.00 39.78 37.21 1oco n ASN 54 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1oco s LYS 55 N -1.37 0.75 -0.04 -3.83 -2.85 -1.26 -0.77 119.74 110.37 1oco s LYS 55 Ca 0.12 0.87 -0.05 0.00 -1.00 0.00 0.00 55.97 55.91 1oco s LYS 55 Cb 0.09 0.36 0.01 0.00 -2.06 0.00 0.00 37.83 36.23 1oco s LYS 55 CO 0.05 -0.09 0.13 0.50 0.10 0.00 0.00 175.35 176.03 1oco s ARG 56 N 0.30 0.21 0.18 1.78 3.52 0.08 -4.92 118.95 120.10 1oco s ARG 56 Ca 0.01 0.08 -0.30 0.00 -0.13 0.00 0.00 55.73 55.39 1oco s ARG 56 Cb -0.05 0.10 -0.08 0.00 -1.56 0.00 0.00 34.95 33.36 1oco s ARG 56 CO -0.01 -0.03 1.20 0.42 -0.81 0.00 0.00 175.30 176.06 1oco s ILE 57 N -0.18 3.59 -0.06 4.11 1.01 -1.26 0.09 121.20 128.50 1oco s ILE 57 Ca -0.03 1.33 0.06 0.00 0.00 0.00 0.00 60.65 62.01 1oco s ILE 57 Cb -0.02 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 1oco s ILE 57 CO 0.00 0.21 -0.23 -0.69 0.00 0.00 0.00 174.94 174.23 1oco s VAL 58 N -0.03 1.92 -0.16 2.92 1.01 0.29 -4.90 120.40 121.46 1oco s VAL 58 Ca 0.53 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1oco s VAL 58 Cb -0.32 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 1oco s VAL 58 CO 0.36 0.54 -0.09 -0.83 0.00 0.00 0.00 175.10 175.08 1oco s GLY 59 N -0.08 1.59 -0.15 4.51 0.00 -1.26 -0.59 107.32 111.34 1oco s GLY 59 Ca -0.05 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.73 1oco s GLY 59 CO 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 173.10 172.97 1oco n ILE 61 N 4.11 4.49 -0.38 0.00 5.41 -1.26 -0.56 119.36 131.17 1oco n ILE 61 Ca -0.19 -5.19 -0.04 0.00 1.00 0.00 0.00 62.75 58.32 1oco n ILE 61 Cb 0.52 -2.55 0.01 0.00 -0.71 0.00 0.00 39.64 36.90 1oco n ILE 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1oco s GLU 63 N -5.84 2.21 0.03 0.00 2.02 -1.26 -5.07 118.70 110.80 1oco s GLU 63 Ca -0.13 -0.89 -0.06 0.00 0.02 0.00 0.00 54.97 53.90 1oco s GLU 63 Cb 0.18 -2.26 -0.01 0.00 0.10 0.00 0.00 34.13 32.14 1oco s GLU 63 CO 0.69 0.56 0.68 -1.91 0.02 0.00 0.00 175.26 175.30 1oco n GLU 64 N 1.73 -0.09 -0.37 1.61 2.13 -1.26 -1.24 120.64 123.16 1oco n GLU 64 Ca -0.16 0.67 0.05 0.00 0.66 0.00 0.00 57.16 58.37 1oco n GLU 64 Cb 0.52 -1.00 0.19 0.00 0.27 0.00 0.00 31.44 31.43 1oco n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1oco n ASP 65 N -3.34 2.93 -4.70 4.31 8.00 -1.26 -4.96 116.55 117.53 1oco n ASP 65 Ca 0.00 -2.30 -0.43 0.00 0.71 0.00 0.00 54.79 52.77 1oco n ASP 65 Cb 0.05 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 40.67 1oco n ASP 65 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1oco n ASN 66 N 0.43 3.01 0.04 -2.24 5.03 -0.37 -4.91 115.26 116.25 1oco n ASN 66 Ca 0.14 1.18 0.11 0.00 0.87 0.00 0.00 54.58 56.88 1oco n ASN 66 Cb 0.59 -1.49 0.03 0.00 -1.02 0.00 0.00 39.78 37.89 1oco n ASN 66 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1oco n SER 67 N 1.41 0.62 -4.44 6.41 3.41 -1.26 -4.81 113.62 114.96 1oco n SER 67 Ca 0.07 -0.07 -0.36 0.00 -0.26 0.00 0.00 58.87 58.26 1oco n SER 67 Cb 0.35 0.71 -0.13 0.00 -0.26 0.00 0.00 64.21 64.89 1oco n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1oco s THR 68 N -3.23 4.08 -0.06 6.66 2.01 -1.26 -5.10 115.64 118.74 1oco s THR 68 Ca 0.03 -0.26 -0.17 0.00 0.31 0.00 0.00 61.69 61.60 1oco s THR 68 Cb 0.14 -2.88 -0.05 0.00 0.01 0.00 0.00 72.50 69.72 1oco s THR 68 CO 0.79 0.39 0.47 -0.69 -0.69 0.00 0.00 174.62 174.89 1oco s VAL 69 N 1.33 5.09 -0.32 3.82 1.01 -1.26 -4.68 120.40 125.39 1oco s VAL 69 Ca 0.04 0.95 -0.18 0.00 0.00 0.00 0.00 61.98 62.79 1oco s VAL 69 Cb -0.15 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 1oco s VAL 69 CO 0.02 0.42 0.53 -0.63 0.00 0.00 0.00 175.10 175.44 1oco s ILE 70 N -0.04 5.02 -0.01 2.22 -1.09 0.28 -4.84 121.20 122.74 1oco s ILE 70 Ca 0.26 0.58 -0.04 0.00 -2.23 0.00 0.00 60.65 59.22 1oco s ILE 70 Cb -0.16 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.75 1oco s ILE 70 CO 0.12 -0.11 0.20 0.26 -1.23 0.00 0.00 174.94 174.18 1oco s TRP 71 N 2.40 3.56 -0.22 3.97 0.52 -1.26 -0.24 118.94 127.68 1oco s TRP 71 Ca 0.20 0.43 -0.29 0.00 0.02 0.00 0.00 56.10 56.46 1oco s TRP 71 Cb -0.15 -1.88 0.15 0.00 -1.15 0.00 0.00 33.47 30.44 1oco s TRP 71 CO 0.12 0.65 1.14 -0.59 0.02 0.00 0.00 176.95 178.28 1oco s PHE 72 N -1.29 -0.27 -0.03 -1.98 -0.12 0.24 -4.96 117.98 109.57 1oco s PHE 72 Ca 0.26 0.52 -0.30 0.00 -0.05 0.00 0.00 56.93 57.37 1oco s PHE 72 Cb -0.13 0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 1oco s PHE 72 CO 0.17 -0.22 1.23 -1.58 -0.05 0.00 0.00 175.22 174.77 1oco s TRP 73 N -0.77 3.18 -0.22 3.49 0.52 -1.26 0.11 118.94 123.99 1oco s TRP 73 Ca 0.03 1.17 -0.11 0.00 0.02 0.00 0.00 56.10 57.20 1oco s TRP 73 Cb -0.02 -3.46 -0.05 0.00 -1.15 0.00 0.00 33.47 28.80 1oco s TRP 73 CO -0.04 -1.47 0.19 -1.17 0.02 0.00 0.00 176.95 174.49 1oco s LEU 74 N 2.03 4.15 0.21 2.99 0.20 0.11 -4.90 118.68 123.48 1oco s LEU 74 Ca 0.57 0.22 0.06 0.00 0.69 0.00 0.00 54.13 55.68 1oco s LEU 74 Cb -0.26 -2.17 -0.04 0.00 -0.43 0.00 0.00 46.19 43.28 1oco s LEU 74 CO 0.24 0.08 0.15 -1.00 -0.29 0.00 0.00 176.35 175.52 1oco s HIS 75 N 0.87 3.08 0.17 5.38 3.76 -1.26 -0.74 115.29 126.56 1oco s HIS 75 Ca 0.10 -0.08 -0.32 0.00 -0.15 0.00 0.00 55.06 54.61 1oco s HIS 75 Cb -0.13 -1.43 -0.11 0.00 1.11 0.00 0.00 32.58 32.01 1oco s HIS 75 CO 0.03 0.53 1.78 1.17 -0.85 0.00 0.00 174.74 177.39 1oco n LYS 76 N -0.73 2.78 0.00 1.40 4.81 0.05 -4.57 118.16 121.90 1oco n LYS 76 Ca -0.08 1.01 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 1oco n LYS 76 Cb 0.56 -2.87 0.00 0.00 0.02 0.00 0.00 35.03 32.74 1oco n LYS 76 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1oco n GLY 77 N 4.08 0.38 3.77 3.14 0.00 -1.26 -5.07 105.19 110.23 1oco n GLY 77 Ca 0.17 -1.29 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 1oco n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oco s GLU 78 N -2.00 4.04 0.16 1.61 0.41 -1.26 -4.76 118.70 116.89 1oco s GLU 78 Ca 0.00 1.87 -0.34 0.00 -0.41 0.00 0.00 54.97 56.09 1oco s GLU 78 Cb 0.00 -2.68 -0.14 0.00 -1.78 0.00 0.00 34.13 29.53 1oco s GLU 78 CO 0.00 -0.34 1.53 0.00 -0.49 0.00 0.00 175.26 175.96 1oco n ALA 79 N 0.07 1.00 -2.01 5.21 0.00 -1.26 -4.95 120.51 118.57 1oco n ALA 79 Ca 0.04 0.45 -0.18 0.00 0.00 0.00 0.00 53.44 53.76 1oco n ALA 79 Cb 0.46 -2.30 0.02 0.00 0.00 0.00 0.00 19.45 17.63 1oco n ALA 79 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1oco s GLN 80 N 0.72 2.75 0.01 0.00 -0.21 0.00 -4.83 119.66 118.10 1oco s GLN 80 Ca 0.79 -1.25 0.03 0.00 0.02 0.00 0.00 55.36 54.94 1oco s GLN 80 Cb -0.72 -2.73 -0.01 0.00 1.00 0.00 0.00 33.01 30.55 1oco s GLN 80 CO 0.40 -0.37 -0.09 1.03 -2.12 0.00 0.00 175.29 174.14 1oco s ARG 81 N -4.42 0.68 0.06 2.91 0.52 -1.26 -0.14 118.95 117.31 1oco s ARG 81 Ca 0.56 -0.48 -0.35 0.00 -0.52 0.00 0.00 55.73 54.94 1oco s ARG 81 Cb -0.10 -0.63 -0.15 0.00 0.52 0.00 0.00 34.95 34.60 1oco s ARG 81 CO 0.34 0.16 1.57 0.00 0.02 0.00 0.00 175.30 177.39 1oco h PRO 83 N 6.14 0.00 0.00 0.00 0.11 -1.93 0.31 132.00 136.62 1oco h PRO 83 Ca -0.46 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1oco h PRO 83 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1oco h PRO 83 CO 0.87 0.00 -1.99 -1.13 -0.21 0.00 0.00 178.00 175.54 1oco n SER 84 N -3.82 0.06 -0.84 -2.05 3.41 -1.26 -4.66 113.62 104.46 1oco n SER 84 Ca -0.01 0.02 0.03 0.00 -0.26 0.00 0.00 58.87 58.66 1oco n SER 84 Cb 0.21 1.76 0.05 0.00 -0.26 0.00 0.00 64.21 65.96 1oco n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oco n GLY 86 N -0.10 1.39 2.16 0.00 0.00 0.06 -4.86 105.19 103.83 1oco n GLY 86 Ca 0.06 0.16 -0.00 0.00 0.00 0.00 0.00 46.02 46.24 1oco n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1oco n THR 87 N 0.00 -5.04 -3.17 2.61 -1.04 -1.26 0.21 114.28 106.59 1oco n THR 87 Ca 0.00 1.18 -0.36 0.00 -2.04 0.00 0.00 64.05 62.83 1oco n THR 87 Cb 0.00 -3.24 -0.06 0.00 -1.82 0.00 0.00 70.33 65.21 1oco n THR 87 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1oco s HIS 88 N -0.22 3.64 -0.03 -1.42 0.09 -0.41 -1.63 115.29 115.31 1oco s HIS 88 Ca -0.00 1.30 0.01 0.00 -0.00 0.00 0.00 55.06 56.37 1oco s HIS 88 Cb 0.00 -2.55 0.02 0.00 -0.00 0.00 0.00 32.58 30.04 1oco s HIS 88 CO 0.01 0.36 -0.04 0.71 -0.00 0.00 0.00 174.74 175.78 1oco s TYR 89 N -1.50 0.62 -0.13 1.40 2.02 0.81 -1.35 117.35 119.22 1oco s TYR 89 Ca 0.41 -0.14 -0.00 0.00 -0.37 0.00 0.00 57.07 56.97 1oco s TYR 89 Cb -0.16 -0.54 0.03 0.00 -0.40 0.00 0.00 41.96 40.89 1oco s TYR 89 CO 0.20 -0.13 -0.07 0.21 -1.57 0.00 0.00 175.55 174.19 1oco s LYS 90 N 0.63 1.52 0.97 -0.62 2.20 0.92 -0.82 119.74 124.54 1oco s LYS 90 Ca -0.08 -0.33 -0.11 0.00 -0.36 0.00 0.00 55.97 55.10 1oco s LYS 90 Cb -0.11 -1.71 0.17 0.00 -1.51 0.00 0.00 37.83 34.67 1oco s LYS 90 CO -0.00 -0.31 1.12 -0.11 -0.36 0.00 0.00 175.35 175.69 1oco n LEU 91 N 4.92 2.45 -3.60 5.43 7.94 -1.26 -0.94 117.00 131.95 1oco n LEU 91 Ca -0.12 0.32 -0.16 0.00 -1.11 0.00 0.00 56.01 54.93 1oco n LEU 91 Cb 0.49 -1.44 -0.07 0.00 0.53 0.00 0.00 43.42 42.94 1oco n LEU 91 CO 0.17 -2.38 0.35 -0.69 -1.11 0.00 0.00 177.39 173.73 1oco s VAL 92 N -2.60 0.01 0.21 1.96 1.01 -0.03 -4.69 120.40 116.27 1oco s VAL 92 Ca 0.67 -0.06 -0.31 0.00 0.00 0.00 0.00 61.98 62.29 1oco s VAL 92 Cb -0.23 -0.92 -0.10 0.00 0.00 0.00 0.00 36.38 35.13 1oco s VAL 92 CO 0.59 -0.03 1.49 -2.16 0.00 0.00 0.00 175.10 174.99 1oco s PRO 93 N -0.65 4.25 0.11 2.72 0.04 -1.26 0.50 135.00 140.70 1oco s PRO 93 Ca -0.07 2.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.98 1oco s PRO 93 Cb -0.02 -3.13 -0.07 0.00 0.04 0.00 0.00 34.50 31.32 1oco s PRO 93 CO 0.06 -0.50 1.20 -1.58 0.04 0.00 0.00 177.00 176.22 1oco s HIS 94 N 0.49 3.44 0.00 0.56 2.46 0.49 -4.52 115.29 118.22 1oco s HIS 94 Ca 0.64 1.35 0.00 0.00 0.47 0.00 0.00 55.06 57.52 1oco s HIS 94 Cb -0.42 -3.42 0.00 0.00 -0.13 0.00 0.00 32.58 28.61 1oco s HIS 94 CO 0.38 -1.24 0.00 0.00 -2.47 0.00 0.00 174.74 171.41 1oco n GLN 95 N 3.35 0.00 -1.26 2.88 -0.00 -1.26 -4.75 117.38 116.33 1oco n GLN 95 Ca 0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 57.00 57.00 1oco n GLN 95 Cb 0.46 0.00 -0.06 0.00 -0.00 0.00 0.00 30.24 30.63 1oco n GLN 95 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1oco n LEU 96 N 0.00 -0.67 -4.31 2.61 7.94 -1.26 -4.89 117.00 116.43 1oco n LEU 96 Ca 0.00 -1.70 -0.42 0.00 -1.11 0.00 0.00 56.01 52.78 1oco n LEU 96 Cb 0.00 -1.02 -0.09 0.00 0.53 0.00 0.00 43.42 42.84 1oco n LEU 96 CO 0.00 -2.33 -0.03 0.00 -1.11 0.00 0.00 177.39 173.92 1oco s ALA 97 N 6.55 3.43 0.00 1.96 0.00 -1.26 -4.80 121.76 127.64 1oco s ALA 97 Ca 0.43 -2.20 0.00 0.00 0.00 0.00 0.00 51.96 50.19 1oco s ALA 97 Cb -0.10 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1oco s ALA 97 CO 0.12 -1.73 0.00 -2.39 0.00 0.00 0.00 175.76 171.76