#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 1.10 2.88 0.00 0.46 0.00 -1.26 -5.17 105.19 103.21 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 -1.30 5.65 0.00 -0.02 0.00 -1.26 -5.06 105.19 103.20 1oco n GLY 4 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 1.78 1.75 3.79 -0.02 0.00 -1.26 -5.12 105.19 106.11 1oco n GLY 5 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.41 5.15 0.81 1.61 -7.23 -1.26 -5.06 120.40 113.00 1oco s VAL 6 Ca 0.00 0.78 -0.13 0.00 -1.81 0.00 0.00 61.98 60.82 1oco s VAL 6 Cb 0.00 -3.71 0.08 0.00 0.56 0.00 0.00 36.38 33.32 1oco s VAL 6 CO 0.00 0.48 1.18 -2.84 -0.31 0.00 0.00 175.10 173.60 1oco s PRO 7 N -0.33 1.69 0.36 4.82 0.02 -1.26 -5.04 135.00 135.26 1oco s PRO 7 Ca 0.22 1.64 0.07 0.00 0.02 0.00 0.00 61.00 62.95 1oco s PRO 7 Cb -0.15 -1.79 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 1oco s PRO 7 CO 0.10 -2.15 0.38 0.95 -0.33 0.00 0.00 177.00 175.95 1oco s THR 8 N -2.32 3.50 0.13 0.99 -4.23 -1.26 -4.96 115.64 107.49 1oco s THR 8 Ca 0.70 -1.23 -0.13 0.00 -1.18 0.00 0.00 61.69 59.85 1oco s THR 8 Cb -0.26 -3.20 -0.04 0.00 1.34 0.00 0.00 72.50 70.35 1oco s THR 8 CO 0.51 -0.13 1.51 0.44 -0.54 0.00 0.00 174.62 176.41 1oco h ASP 9 N 1.06 0.82 -0.35 3.99 3.32 -1.96 0.35 116.42 123.66 1oco h ASP 9 Ca -0.44 -0.40 0.10 0.00 0.02 0.00 0.00 57.03 56.31 1oco h ASP 9 Cb 1.26 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 1oco h ASP 9 CO 0.55 1.03 0.42 -0.08 -1.72 0.00 0.00 179.24 179.45 1oco h GLU 10 N 0.60 0.00 -0.00 3.56 4.22 -1.95 0.34 114.58 121.35 1oco h GLU 10 Ca 0.09 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.53 1oco h GLU 10 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1oco h GLU 10 CO 0.05 0.00 -0.09 -0.85 -2.18 0.00 0.00 179.01 175.95 1oco n GLU 11 N -3.60 3.85 0.00 1.92 0.28 -0.85 -4.78 120.64 117.47 1oco n GLU 11 Ca 0.06 -0.23 0.00 0.00 -0.16 0.00 0.00 57.16 56.83 1oco n GLU 11 Cb 0.58 -0.77 0.00 0.00 1.43 0.00 0.00 31.44 32.68 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 -0.65 3.23 -2.02 3.44 7.27 0.12 -4.87 117.38 123.89 1oco n GLN 12 Ca 0.01 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.66 1oco n GLN 12 Cb 0.05 -0.54 -0.03 0.00 2.41 0.00 0.00 30.24 32.13 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 -0.85 3.70 0.00 1.69 0.00 0.11 -4.99 121.76 121.42 1oco s ALA 13 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1oco s ALA 13 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1oco s ALA 13 CO 0.00 -0.72 0.00 -2.37 0.00 0.00 0.00 175.76 172.67 1oco n THR 14 N 3.87 0.00 0.00 0.00 5.66 -1.26 -4.57 114.28 117.97 1oco n THR 14 Ca 0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 1oco n THR 14 Cb 0.40 -0.08 0.00 0.00 -1.55 0.00 0.00 70.33 69.10 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 0.56 0.31 1.09 0.00 -1.26 0.64 105.19 111.52 1oco n GLY 15 Ca 0.00 -0.45 0.19 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.22 0.99 5.85 -1.99 -0.70 115.31 119.24 1oco h LEU 16 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 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 0.02 0.06 -0.08 -0.34 0.00 0.00 178.44 178.10 1oco h GLU 17 N 0.00 0.35 -0.67 1.25 4.81 -1.90 -0.53 114.58 117.89 1oco h GLU 17 Ca -0.00 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 1oco h GLU 17 Cb 0.12 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1oco h GLU 17 CO 0.00 0.45 0.11 -0.09 -0.73 0.00 0.00 179.01 178.76 1oco h ARG 18 N 0.19 1.09 -0.58 1.92 2.43 0.17 -0.47 114.38 119.12 1oco h ARG 18 Ca 0.07 -0.29 0.02 0.00 -0.81 0.00 0.00 59.98 58.98 1oco h ARG 18 Cb 0.25 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1oco h ARG 18 CO -0.00 1.00 0.37 0.93 -1.51 0.00 0.00 179.97 180.75 1oco h GLU 19 N 1.02 0.71 0.00 0.20 5.08 -1.02 0.19 114.58 120.77 1oco h GLU 19 Ca 0.20 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1oco h GLU 19 Cb 0.43 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1oco h GLU 19 CO 0.01 0.47 -0.16 -0.39 -1.00 0.00 0.00 179.01 177.94 1oco h VAL 20 N 0.73 0.33 0.68 3.13 -1.51 -0.84 -2.58 116.25 116.20 1oco h VAL 20 Ca 0.23 -1.17 -0.03 0.00 -1.23 0.00 0.00 66.70 64.49 1oco h VAL 20 Cb -0.01 1.91 0.01 0.00 -2.13 0.00 0.00 31.29 31.07 1oco h VAL 20 CO -0.08 0.16 -0.33 -0.03 -1.23 0.00 0.00 177.57 176.06 1oco h MET 21 N 0.00 -0.88 0.42 5.19 1.85 0.70 -1.71 114.93 120.49 1oco h MET 21 Ca -0.00 0.06 -0.02 0.00 -0.61 0.00 0.00 59.70 59.13 1oco h MET 21 Cb 0.90 0.20 0.00 0.00 0.43 0.00 0.00 31.60 33.14 1oco h MET 21 CO 0.02 -0.59 -0.20 -0.07 -0.40 0.00 0.00 176.91 175.67 1oco h LEU 22 N -1.12 -0.48 -0.97 3.39 3.38 -1.31 -2.62 115.31 115.58 1oco h LEU 22 Ca -0.09 0.01 0.27 0.00 0.09 0.00 0.00 57.88 58.15 1oco h LEU 22 Cb 0.70 0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.44 1oco h LEU 22 CO 0.15 -0.33 0.52 0.00 0.09 0.00 0.00 178.44 178.88 1oco h ALA 23 N -0.01 1.74 -0.79 1.53 0.00 -1.53 0.25 119.26 120.46 1oco h ALA 23 Ca -0.06 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1oco h ALA 23 Cb 0.45 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1oco h ALA 23 CO 0.10 -0.40 0.35 0.00 0.00 0.00 0.00 179.25 179.29 1oco h ALA 24 N 1.77 1.02 0.00 0.00 0.00 -0.95 -2.08 119.26 119.01 1oco h ALA 24 Ca 0.65 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 1oco h ALA 24 Cb 1.34 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1oco h ALA 24 CO -0.54 0.61 -0.12 0.07 0.00 0.00 0.00 179.25 179.27 1oco h ARG 25 N 1.12 0.00 -0.03 0.00 0.11 -0.20 -1.88 114.38 113.51 1oco h ARG 25 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 1oco h ARG 25 Cb 0.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.24 1oco h ARG 25 CO -0.03 0.12 0.00 1.63 0.10 0.00 0.00 179.97 181.79 1oco n LYS 26 N -3.20 1.19 0.00 0.08 5.02 -0.63 -4.89 118.16 115.72 1oco n LYS 26 Ca 0.01 -0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.02 1oco n LYS 26 Cb 0.43 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 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 0.96 2.95 3.82 0.72 0.00 -0.71 -5.03 105.19 107.90 1oco n GLY 27 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.20 3.03 -0.49 1.61 1.11 -0.83 -4.90 119.66 118.99 1oco s GLN 28 Ca 0.00 1.00 0.06 0.00 0.01 0.00 0.00 55.36 56.43 1oco s GLN 28 Cb 0.00 -2.00 0.22 0.00 -1.01 0.00 0.00 33.01 30.22 1oco s GLN 28 CO 0.00 -1.03 0.53 -3.47 0.01 0.00 0.00 175.29 171.33 1oco n ASP 29 N -2.89 1.23 0.22 5.90 2.03 -1.26 -3.40 116.55 118.37 1oco n ASP 29 Ca 0.08 -2.86 0.15 0.00 0.52 0.00 0.00 54.79 52.68 1oco n ASP 29 Cb 0.53 -0.64 0.64 0.00 -0.72 0.00 0.00 41.12 40.94 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 4.59 0.00 -0.51 -0.67 0.13 -1.92 -3.20 132.00 130.41 1oco h PRO 30 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1oco h PRO 30 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1oco h PRO 30 CO 0.56 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.99 1oco n TYR 31 N -2.71 1.52 -3.94 1.56 4.01 -1.26 -4.98 117.16 111.35 1oco n TYR 31 Ca 0.01 -0.71 -0.30 0.00 -0.16 0.00 0.00 57.90 56.73 1oco n TYR 31 Cb 0.25 -0.35 0.02 0.00 -0.31 0.00 0.00 39.34 38.94 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 0.49 -4.17 0.09 7.72 3.02 -1.21 -4.90 115.26 116.31 1oco n ASN 32 Ca 0.25 -0.82 -0.04 0.00 -0.03 0.00 0.00 54.58 53.94 1oco n ASN 32 Cb 0.98 -3.72 -0.02 0.00 -0.61 0.00 0.00 39.78 36.41 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 -1.99 1.47 -1.60 2.41 2.04 -1.94 -3.46 117.51 114.45 1oco h ILE 33 Ca -0.59 -2.90 -0.50 0.00 1.00 0.00 0.00 64.86 61.87 1oco h ILE 33 Cb 1.38 2.61 -0.04 0.00 -0.74 0.00 0.00 36.82 40.03 1oco h ILE 33 CO 0.68 0.80 -0.41 -0.76 0.00 0.00 0.00 178.15 178.46 1oco s LEU 34 N -6.82 3.40 -0.21 1.44 1.02 -1.26 -5.10 118.68 111.15 1oco s LEU 34 Ca 0.01 -0.73 -0.15 0.00 0.02 0.00 0.00 54.13 53.28 1oco s LEU 34 Cb 0.10 -2.02 -0.04 0.00 0.02 0.00 0.00 46.19 44.25 1oco s LEU 34 CO 0.79 -0.57 0.36 0.00 0.02 0.00 0.00 176.35 176.95 1oco s ALA 35 N -2.45 3.57 0.52 4.21 0.00 -1.26 -5.04 121.76 121.31 1oco s ALA 35 Ca 0.46 -0.59 -0.21 0.00 0.00 0.00 0.00 51.96 51.61 1oco s ALA 35 Cb -0.03 -2.60 -0.07 0.00 0.00 0.00 0.00 23.12 20.43 1oco s ALA 35 CO 0.27 -0.31 1.12 -2.30 0.00 0.00 0.00 175.76 174.54 1oco n PRO 36 N 4.50 1.34 -4.20 0.00 -0.02 -1.26 -4.98 135.00 130.38 1oco n PRO 36 Ca -0.09 0.49 -0.35 0.00 -2.02 0.00 0.00 63.50 61.54 1oco n PRO 36 Cb 0.51 -2.27 -0.10 0.00 -0.02 0.00 0.00 33.50 31.62 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 -2.56 3.58 0.72 -0.52 0.00 -1.26 -5.09 119.74 114.62 1oco s LYS 37 Ca 0.70 -0.39 -0.14 0.00 0.00 0.00 0.00 55.97 56.14 1oco s LYS 37 Cb -0.46 -3.02 0.03 0.00 0.00 0.00 0.00 37.83 34.38 1oco s LYS 37 CO 0.51 0.43 1.16 0.00 0.00 0.00 0.00 175.35 177.45 1oco s ALA 38 N -0.10 2.21 0.54 0.59 0.00 -1.26 -5.03 121.76 118.72 1oco s ALA 38 Ca 0.05 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.74 1oco s ALA 38 Cb -0.12 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.62 1oco s ALA 38 CO 0.02 -1.70 0.26 0.95 0.00 0.00 0.00 175.76 175.28 1oco s THR 39 N -2.22 1.40 0.66 0.00 -4.23 -1.26 -4.99 115.64 105.00 1oco s THR 39 Ca 0.70 -1.68 0.39 0.00 -1.18 0.00 0.00 61.69 59.92 1oco s THR 39 Cb -0.25 -2.08 0.40 0.00 1.34 0.00 0.00 72.50 71.91 1oco s THR 39 CO 0.45 0.00 2.23 0.77 -0.54 0.00 0.00 174.62 177.54 1oco h SER 40 N 0.94 0.00 -0.47 3.99 4.64 -1.94 -3.45 113.55 117.26 1oco h SER 40 Ca -0.39 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.72 1oco h SER 40 Cb 1.31 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.32 1oco h SER 40 CO 0.63 0.00 -0.18 0.61 -0.87 0.00 0.00 176.83 177.02 1oco n GLY 41 N -1.14 1.07 3.72 -0.77 0.00 -0.52 -4.96 105.19 102.59 1oco n GLY 41 Ca -0.02 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.15 1.77 0.35 2.61 -4.23 -1.20 -1.33 115.64 111.47 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 -2.68 0.21 0.00 1.34 0.00 0.00 72.50 71.37 1oco s THR 42 CO 0.00 0.00 1.94 0.50 -0.54 0.00 0.00 174.62 176.52 1oco h LYS 43 N -2.17 0.00 -0.09 3.99 3.64 -1.97 -2.56 116.57 117.41 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 0.38 0.23 0.00 -0.85 -2.27 0.00 0.00 179.45 176.94 1oco n GLU 44 N -3.79 2.27 -2.92 1.90 0.00 -1.26 -4.46 120.64 112.38 1oco n GLU 44 Ca -0.02 -1.95 -0.13 0.00 0.00 0.00 0.00 57.16 55.06 1oco n GLU 44 Cb 0.33 -1.46 0.00 0.00 0.00 0.00 0.00 31.44 30.32 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 1.34 0.99 -4.75 -1.84 2.03 -0.98 -5.10 116.55 108.23 1oco n ASP 45 Ca 0.15 -2.87 -0.32 0.00 0.52 0.00 0.00 54.79 52.26 1oco n ASP 45 Cb 0.58 -0.49 0.08 0.00 -0.72 0.00 0.00 41.12 40.58 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 -2.64 2.27 -0.08 -0.67 0.04 -1.10 -1.43 135.00 131.40 1oco s PRO 46 Ca 0.33 1.42 -0.30 0.00 0.04 0.00 0.00 61.00 62.49 1oco s PRO 46 Cb 0.40 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 33.03 1oco s PRO 46 CO -0.02 -1.66 1.18 -0.80 0.04 0.00 0.00 177.00 175.73 1oco s ASN 47 N -2.73 7.06 -0.46 6.66 0.01 -0.67 -4.78 114.94 120.03 1oco s ASN 47 Ca 0.67 1.75 -0.23 0.00 -0.71 0.00 0.00 52.86 54.34 1oco s ASN 47 Cb -0.21 -2.55 0.03 0.00 0.41 0.00 0.00 41.25 38.92 1oco s ASN 47 CO 0.49 -0.59 0.78 -0.76 -1.51 0.00 0.00 177.10 175.51 1oco s LEU 48 N 2.38 4.28 -0.56 0.60 1.43 -1.26 -0.18 118.68 125.35 1oco s LEU 48 Ca 0.54 -0.16 -0.20 0.00 -1.03 0.00 0.00 54.13 53.29 1oco s LEU 48 Cb -0.23 -2.93 0.08 0.00 0.03 0.00 0.00 46.19 43.13 1oco s LEU 48 CO 0.20 -0.93 0.72 -0.69 0.23 0.00 0.00 176.35 175.88 1oco s VAL 49 N 3.29 4.76 0.69 -1.59 1.01 -0.30 -4.92 120.40 123.33 1oco s VAL 49 Ca 0.29 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 1oco s VAL 49 Cb -0.12 -4.44 0.02 0.00 0.00 0.00 0.00 36.38 31.83 1oco s VAL 49 CO 0.22 -1.04 1.13 -2.84 0.00 0.00 0.00 175.10 172.57 1oco s PRO 50 N 2.90 2.58 -0.27 2.72 0.02 -1.26 -0.93 135.00 140.77 1oco s PRO 50 Ca 0.15 1.45 -0.24 0.00 0.02 0.00 0.00 61.00 62.38 1oco s PRO 50 Cb -0.21 -1.92 0.07 0.00 0.02 0.00 0.00 34.50 32.47 1oco s PRO 50 CO 0.10 -1.43 0.73 0.45 -0.33 0.00 0.00 177.00 176.52 1oco s SER 51 N -2.53 -0.75 -0.00 2.53 0.15 0.19 -4.76 113.70 108.52 1oco s SER 51 Ca 0.68 1.43 0.08 0.00 0.70 0.00 0.00 55.95 58.84 1oco s SER 51 Cb -0.22 1.43 0.24 0.00 -1.71 0.00 0.00 66.02 65.77 1oco s SER 51 CO 0.44 -0.24 1.20 0.00 1.20 0.00 0.00 173.24 175.83 1oco n ILE 52 N 2.83 0.38 -1.79 6.45 3.06 -1.26 -0.77 119.36 128.25 1oco n ILE 52 Ca -0.15 -0.37 0.00 0.00 -2.50 0.00 0.00 62.75 59.73 1oco n ILE 52 Cb 0.55 0.17 0.00 0.00 0.54 0.00 0.00 39.64 40.91 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 0.31 0.00 -0.22 9.51 -1.04 -1.26 -4.97 114.28 116.60 1oco n THR 53 Ca 0.09 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.13 1oco n THR 53 Cb 0.24 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.81 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 2.36 -3.63 8.00 6.94 -1.26 -4.95 115.26 122.71 1oco n ASN 54 Ca 0.00 -2.19 -0.12 0.00 -0.02 0.00 0.00 54.58 52.25 1oco n ASN 54 Cb 0.00 -0.13 -0.07 0.00 -2.36 0.00 0.00 39.78 37.22 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 -1.32 0.76 -0.04 -3.83 -2.85 -1.26 -0.51 119.74 110.68 1oco s LYS 55 Ca 0.11 0.92 -0.04 0.00 -1.00 0.00 0.00 55.97 55.97 1oco s LYS 55 Cb 0.08 0.36 0.01 0.00 -2.06 0.00 0.00 37.83 36.22 1oco s LYS 55 CO 0.04 -0.09 0.10 0.50 0.10 0.00 0.00 175.35 176.01 1oco s ARG 56 N 0.43 0.12 0.19 1.78 3.52 -0.12 -4.93 118.95 119.94 1oco s ARG 56 Ca 0.00 0.15 -0.30 0.00 -0.13 0.00 0.00 55.73 55.45 1oco s ARG 56 Cb -0.05 0.05 -0.08 0.00 -1.56 0.00 0.00 34.95 33.31 1oco s ARG 56 CO -0.02 -0.02 1.22 0.42 -0.81 0.00 0.00 175.30 176.09 1oco s ILE 57 N 0.10 3.49 -0.05 4.11 1.01 -1.26 -0.09 121.20 128.51 1oco s ILE 57 Ca -0.00 1.26 0.06 0.00 0.00 0.00 0.00 60.65 61.96 1oco s ILE 57 Cb -0.01 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 1oco s ILE 57 CO -0.00 0.20 -0.23 -0.69 0.00 0.00 0.00 174.94 174.22 1oco s VAL 58 N -0.07 1.90 -0.16 2.92 1.01 0.33 -4.90 120.40 121.44 1oco s VAL 58 Ca 0.53 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 1oco s VAL 58 Cb -0.33 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 1oco s VAL 58 CO 0.37 0.53 -0.13 -0.83 0.00 0.00 0.00 175.10 175.05 1oco s GLY 59 N -0.19 1.52 -0.17 4.51 0.00 -1.26 -0.77 107.32 110.97 1oco s GLY 59 Ca -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.71 1oco s GLY 59 CO 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 173.10 172.97 1oco n ILE 61 N 4.29 4.48 -0.36 0.00 5.41 -1.26 -1.12 119.36 130.80 1oco n ILE 61 Ca -0.20 -5.13 -0.07 0.00 1.00 0.00 0.00 62.75 58.36 1oco n ILE 61 Cb 0.51 -2.52 -0.05 0.00 -0.71 0.00 0.00 39.64 36.88 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 -5.58 2.28 0.03 0.00 2.02 -1.26 -5.07 118.70 111.13 1oco s GLU 63 Ca -0.11 -0.85 -0.06 0.00 0.02 0.00 0.00 54.97 53.97 1oco s GLU 63 Cb 0.13 -2.30 -0.01 0.00 0.10 0.00 0.00 34.13 32.04 1oco s GLU 63 CO 0.57 0.57 0.70 -1.91 0.02 0.00 0.00 175.26 175.22 1oco n GLU 64 N 1.76 -0.08 -0.30 1.61 2.13 -1.26 -1.10 120.64 123.40 1oco n GLU 64 Ca -0.16 0.69 0.04 0.00 0.66 0.00 0.00 57.16 58.39 1oco n GLU 64 Cb 0.52 -1.03 0.17 0.00 0.27 0.00 0.00 31.44 31.36 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 -3.24 2.54 -4.68 4.31 8.00 -1.26 -4.95 116.55 117.26 1oco n ASP 65 Ca 0.00 -2.24 -0.43 0.00 0.71 0.00 0.00 54.79 52.84 1oco n ASP 65 Cb 0.05 -0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 40.71 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 0.36 2.58 0.02 -2.24 5.03 -0.25 -4.90 115.26 115.85 1oco n ASN 66 Ca 0.12 1.20 0.11 0.00 0.87 0.00 0.00 54.58 56.88 1oco n ASN 66 Cb 0.50 -1.46 -0.03 0.00 -1.02 0.00 0.00 39.78 37.78 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 0.94 0.59 -4.45 6.41 3.41 -1.26 -4.83 113.62 114.44 1oco n SER 67 Ca 0.06 -0.32 -0.36 0.00 -0.26 0.00 0.00 58.87 58.00 1oco n SER 67 Cb 0.35 0.99 -0.12 0.00 -0.26 0.00 0.00 64.21 65.17 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 -3.21 4.12 -0.13 6.66 2.01 -1.26 -5.09 115.64 118.74 1oco s THR 68 Ca 0.03 -0.25 -0.14 0.00 0.31 0.00 0.00 61.69 61.64 1oco s THR 68 Cb 0.15 -2.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.72 1oco s THR 68 CO 0.83 0.39 0.34 -0.69 -0.69 0.00 0.00 174.62 174.80 1oco s VAL 69 N 1.25 5.26 -0.33 3.82 1.01 -1.26 -4.68 120.40 125.46 1oco s VAL 69 Ca 0.04 0.65 -0.19 0.00 0.00 0.00 0.00 61.98 62.47 1oco s VAL 69 Cb -0.15 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1oco s VAL 69 CO 0.02 0.41 0.59 -0.63 0.00 0.00 0.00 175.10 175.49 1oco s ILE 70 N 0.24 4.95 -0.03 2.22 -1.09 -0.28 -4.84 121.20 122.38 1oco s ILE 70 Ca 0.19 0.62 -0.06 0.00 -2.23 0.00 0.00 60.65 59.17 1oco s ILE 70 Cb -0.14 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 1oco s ILE 70 CO 0.06 -0.20 0.21 0.26 -1.23 0.00 0.00 174.94 174.04 1oco s TRP 71 N 2.56 3.58 -0.20 3.97 0.52 -1.26 -0.50 118.94 127.61 1oco s TRP 71 Ca 0.23 0.50 -0.29 0.00 0.02 0.00 0.00 56.10 56.56 1oco s TRP 71 Cb -0.15 -1.93 0.13 0.00 -1.15 0.00 0.00 33.47 30.37 1oco s TRP 71 CO 0.13 0.66 1.04 -0.59 0.02 0.00 0.00 176.95 178.20 1oco s PHE 72 N -1.24 -0.36 -0.02 -1.98 -0.12 0.05 -4.96 117.98 109.35 1oco s PHE 72 Ca 0.24 0.68 -0.30 0.00 -0.05 0.00 0.00 56.93 57.51 1oco s PHE 72 Cb -0.13 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.66 1oco s PHE 72 CO 0.14 -0.29 1.15 -1.58 -0.05 0.00 0.00 175.22 174.59 1oco s TRP 73 N -0.81 3.34 -0.24 3.49 0.52 -1.26 0.12 118.94 124.10 1oco s TRP 73 Ca 0.00 1.34 -0.10 0.00 0.02 0.00 0.00 56.10 57.35 1oco s TRP 73 Cb -0.01 -3.36 -0.05 0.00 -1.15 0.00 0.00 33.47 28.90 1oco s TRP 73 CO -0.01 -1.03 0.16 -1.17 0.02 0.00 0.00 176.95 174.92 1oco s LEU 74 N 1.75 4.08 0.25 2.99 0.20 0.86 -4.91 118.68 123.91 1oco s LEU 74 Ca 0.55 0.09 0.07 0.00 0.69 0.00 0.00 54.13 55.53 1oco s LEU 74 Cb -0.25 -2.10 -0.04 0.00 -0.43 0.00 0.00 46.19 43.38 1oco s LEU 74 CO 0.24 0.05 0.18 -1.00 -0.29 0.00 0.00 176.35 175.53 1oco s HIS 75 N 1.13 3.09 0.17 5.38 3.76 -1.26 -0.94 115.29 126.62 1oco s HIS 75 Ca 0.07 -0.11 -0.32 0.00 -0.15 0.00 0.00 55.06 54.55 1oco s HIS 75 Cb -0.14 -1.40 -0.12 0.00 1.11 0.00 0.00 32.58 32.04 1oco s HIS 75 CO 0.05 0.53 1.75 1.17 -0.85 0.00 0.00 174.74 177.39 1oco n LYS 76 N -1.10 2.71 0.00 1.40 4.81 0.33 -4.52 118.16 121.80 1oco n LYS 76 Ca -0.08 0.98 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 1oco n LYS 76 Cb 0.58 -2.84 0.00 0.00 0.02 0.00 0.00 35.03 32.79 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 4.01 0.40 3.77 3.14 0.00 -1.26 -5.07 105.19 110.17 1oco n GLY 77 Ca 0.17 -1.31 -0.39 0.00 0.00 0.00 0.00 46.02 44.48 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 4.20 0.14 1.61 0.41 -1.26 -4.76 118.70 117.04 1oco s GLU 78 Ca 0.00 1.98 -0.35 0.00 -0.41 0.00 0.00 54.97 56.19 1oco s GLU 78 Cb 0.00 -2.86 -0.15 0.00 -1.78 0.00 0.00 34.13 29.33 1oco s GLU 78 CO 0.00 -0.24 1.43 0.00 -0.49 0.00 0.00 175.26 175.96 1oco n ALA 79 N 0.43 0.19 -2.03 5.21 0.00 -1.26 -4.95 120.51 118.10 1oco n ALA 79 Ca 0.02 0.47 -0.18 0.00 0.00 0.00 0.00 53.44 53.76 1oco n ALA 79 Cb 0.45 -2.20 0.02 0.00 0.00 0.00 0.00 19.45 17.71 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 0.51 2.67 0.01 0.00 -0.21 -0.08 -4.84 119.66 117.71 1oco s GLN 80 Ca 0.80 -1.37 0.03 0.00 0.02 0.00 0.00 55.36 54.83 1oco s GLN 80 Cb -0.80 -2.70 -0.01 0.00 1.00 0.00 0.00 33.01 30.49 1oco s GLN 80 CO 0.44 -0.43 -0.09 1.03 -2.12 0.00 0.00 175.29 174.12 1oco s ARG 81 N -4.42 0.67 0.01 2.91 0.52 -1.26 0.08 118.95 117.47 1oco s ARG 81 Ca 0.56 -0.41 -0.36 0.00 -0.52 0.00 0.00 55.73 55.00 1oco s ARG 81 Cb -0.08 -0.63 -0.15 0.00 0.52 0.00 0.00 34.95 34.60 1oco s ARG 81 CO 0.34 0.17 1.55 0.00 0.02 0.00 0.00 175.30 177.38 1oco h PRO 83 N 6.04 0.00 0.00 0.00 0.11 -1.94 0.16 132.00 136.37 1oco h PRO 83 Ca -0.47 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.46 1oco h PRO 83 Cb 1.30 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.38 1oco h PRO 83 CO 0.86 0.00 -2.14 -1.13 -0.21 0.00 0.00 178.00 175.39 1oco n SER 84 N -3.57 0.06 -0.89 -2.05 3.41 -1.26 -4.68 113.62 104.64 1oco n SER 84 Ca -0.02 0.03 0.04 0.00 -0.26 0.00 0.00 58.87 58.66 1oco n SER 84 Cb 0.16 1.41 0.08 0.00 -0.26 0.00 0.00 64.21 65.60 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 -0.24 1.37 2.22 0.00 0.00 0.01 -4.86 105.19 103.69 1oco n GLY 86 Ca 0.09 0.20 -0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -5.21 -3.13 2.61 -1.04 -1.26 0.20 114.28 106.44 1oco n THR 87 Ca 0.00 1.20 -0.35 0.00 -2.04 0.00 0.00 64.05 62.87 1oco n THR 87 Cb 0.00 -3.35 -0.06 0.00 -1.82 0.00 0.00 70.33 65.10 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 -0.23 3.53 -0.01 -1.42 0.09 -0.44 -1.81 115.29 115.00 1oco s HIS 88 Ca -0.01 1.29 0.01 0.00 -0.00 0.00 0.00 55.06 56.35 1oco s HIS 88 Cb 0.00 -2.57 0.01 0.00 -0.00 0.00 0.00 32.58 30.02 1oco s HIS 88 CO 0.03 0.24 -0.04 0.71 -0.00 0.00 0.00 174.74 175.69 1oco s TYR 89 N -1.71 0.43 -0.09 1.40 2.02 0.11 -1.67 117.35 117.84 1oco s TYR 89 Ca 0.47 -0.08 -0.01 0.00 -0.37 0.00 0.00 57.07 57.09 1oco s TYR 89 Cb -0.14 -0.35 0.03 0.00 -0.40 0.00 0.00 41.96 41.10 1oco s TYR 89 CO 0.19 -0.06 -0.04 0.21 -1.57 0.00 0.00 175.55 174.28 1oco s LYS 90 N 0.27 1.12 0.91 -0.62 2.20 0.74 -0.91 119.74 123.46 1oco s LYS 90 Ca -0.03 -0.10 -0.10 0.00 -0.36 0.00 0.00 55.97 55.38 1oco s LYS 90 Cb -0.06 -1.30 0.14 0.00 -1.51 0.00 0.00 37.83 35.10 1oco s LYS 90 CO -0.00 -0.27 1.14 -1.17 -0.36 0.00 0.00 175.35 174.68 1oco s LEU 91 N 1.79 2.76 -0.16 5.43 2.96 -1.26 -1.15 118.68 129.04 1oco s LEU 91 Ca 0.04 2.12 -0.22 0.00 -0.22 0.00 0.00 54.13 55.85 1oco s LEU 91 Cb -0.12 -4.50 0.06 0.00 0.50 0.00 0.00 46.19 42.12 1oco s LEU 91 CO -0.07 -3.07 0.58 -0.69 -1.32 0.00 0.00 176.35 171.79 1oco s VAL 92 N -2.67 0.01 0.24 1.68 1.01 -0.10 -4.72 120.40 115.86 1oco s VAL 92 Ca 0.66 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.29 1oco s VAL 92 Cb -0.22 -0.84 -0.11 0.00 0.00 0.00 0.00 36.38 35.21 1oco s VAL 92 CO 0.58 -0.03 1.52 -2.16 0.00 0.00 0.00 175.10 175.02 1oco s PRO 93 N -0.17 4.21 0.10 2.72 0.04 -1.26 0.55 135.00 141.18 1oco s PRO 93 Ca -0.04 2.41 -0.30 0.00 0.04 0.00 0.00 61.00 63.11 1oco s PRO 93 Cb -0.03 -3.09 -0.06 0.00 0.04 0.00 0.00 34.50 31.35 1oco s PRO 93 CO 0.03 -0.53 1.17 -1.58 0.04 0.00 0.00 177.00 176.13 1oco s HIS 94 N 0.27 3.48 0.00 0.56 2.46 0.05 -4.48 115.29 117.62 1oco s HIS 94 Ca 0.63 1.39 0.00 0.00 0.47 0.00 0.00 55.06 57.56 1oco s HIS 94 Cb -0.44 -3.38 0.00 0.00 -0.13 0.00 0.00 32.58 28.63 1oco s HIS 94 CO 0.42 -1.08 0.00 0.00 -2.47 0.00 0.00 174.74 171.61 1oco n GLN 95 N 3.40 0.00 -1.31 2.88 -0.00 -1.26 -4.75 117.38 116.35 1oco n GLN 95 Ca 0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 57.00 56.98 1oco n GLN 95 Cb 0.46 0.00 -0.07 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 -0.47 -4.29 2.61 7.94 -1.26 -4.89 117.00 116.65 1oco n LEU 96 Ca 0.00 -1.69 -0.42 0.00 -1.11 0.00 0.00 56.01 52.79 1oco n LEU 96 Cb 0.00 -1.08 -0.09 0.00 0.53 0.00 0.00 43.42 42.79 1oco n LEU 96 CO 0.00 -2.40 -0.03 0.00 -1.11 0.00 0.00 177.39 173.85 1oco s ALA 97 N 7.34 3.41 0.00 1.96 0.00 -1.26 -4.80 121.76 128.40 1oco s ALA 97 Ca 0.52 -2.25 0.00 0.00 0.00 0.00 0.00 51.96 50.23 1oco s ALA 97 Cb -0.13 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.14 1oco s ALA 97 CO 0.14 -1.75 0.00 -2.39 0.00 0.00 0.00 175.76 171.76