#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e8p s SER 2 N 0.00 7.15 0.10 1.61 1.04 -1.26 -4.96 113.70 117.37 2e8p s SER 2 Ca 0.00 -3.33 -0.26 0.00 0.48 0.00 0.00 55.95 52.84 2e8p s SER 2 Cb 0.00 -2.21 0.09 0.00 0.10 0.00 0.00 66.02 64.00 2e8p s SER 2 CO 0.00 -0.37 1.13 -0.94 0.98 0.00 0.00 173.24 174.04 2e8p s SER 3 N 1.56 -0.04 0.99 7.02 1.04 -1.26 -5.17 113.70 117.84 2e8p s SER 3 Ca 0.27 -0.42 -0.12 0.00 0.48 0.00 0.00 55.95 56.16 2e8p s SER 3 Cb -0.10 0.35 0.18 0.00 0.10 0.00 0.00 66.02 66.56 2e8p s SER 3 CO -0.08 -0.69 1.08 -0.83 0.98 0.00 0.00 173.24 173.70 2e8p s GLY 4 N -3.33 1.59 -0.23 7.32 0.00 -1.26 -5.07 107.32 106.33 2e8p s GLY 4 Ca 0.20 -0.16 -0.30 0.00 0.00 0.00 0.00 44.72 44.46 2e8p s GLY 4 CO 0.02 0.42 1.22 -0.56 0.00 0.00 0.00 173.10 174.19 2e8p s SER 5 N -3.23 -0.16 -0.29 1.64 0.01 -1.26 -5.07 113.70 105.34 2e8p s SER 5 Ca 0.65 0.16 0.16 0.00 1.31 0.00 0.00 55.95 58.24 2e8p s SER 5 Cb -0.20 0.14 0.43 0.00 0.21 0.00 0.00 66.02 66.60 2e8p s SER 5 CO 0.59 -0.17 1.36 -0.24 0.41 0.00 0.00 173.24 175.19 2e8p n SER 6 N 0.52 -0.32 -4.20 2.44 2.88 -1.26 -5.07 113.62 108.60 2e8p n SER 6 Ca -0.04 -2.14 -0.39 0.00 -1.33 0.00 0.00 58.87 54.98 2e8p n SER 6 Cb 0.58 0.24 -0.10 0.00 -0.75 0.00 0.00 64.21 64.18 2e8p n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2e8p s GLY 7 N -2.10 1.99 -1.35 0.46 0.00 -1.26 -4.99 107.32 100.07 2e8p s GLY 7 Ca 0.16 -2.40 -0.09 0.00 0.00 0.00 0.00 44.72 42.39 2e8p s GLY 7 CO -0.09 1.03 2.21 -0.18 0.00 0.00 0.00 173.10 176.07 2e8p n GLN 8 N 4.82 3.87 -1.74 2.90 -0.06 -1.26 -4.06 117.38 121.85 2e8p n GLN 8 Ca -0.07 -3.26 -0.01 0.00 -2.00 0.00 0.00 57.00 51.66 2e8p n GLN 8 Cb 0.42 -2.85 0.04 0.00 -4.06 0.00 0.00 30.24 23.78 2e8p n GLN 8 CO 0.00 0.00 0.00 -0.12 -0.20 0.00 0.00 177.06 176.74 2e8p n MET 9 N 3.36 0.46 -4.08 3.69 1.56 -1.26 -5.13 117.12 115.72 2e8p n MET 9 Ca 0.53 -0.48 -0.35 0.00 -0.27 0.00 0.00 57.70 57.13 2e8p n MET 9 Cb 0.31 0.24 -0.13 0.00 2.15 0.00 0.00 33.22 35.79 2e8p n MET 9 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2e8p s SER 10 N -0.45 4.75 0.09 6.12 0.01 -1.26 -5.10 113.70 117.86 2e8p s SER 10 Ca 0.03 -0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.08 2e8p s SER 10 Cb 0.15 -1.81 -0.04 0.00 0.21 0.00 0.00 66.02 64.53 2e8p s SER 10 CO -0.04 0.06 -0.07 -0.22 0.41 0.00 0.00 173.24 173.38 2e8p s LEU 11 N 1.03 2.46 -0.37 2.44 2.96 -1.26 -5.08 118.68 120.86 2e8p s LEU 11 Ca 0.02 -0.92 -0.29 0.00 -0.22 0.00 0.00 54.13 52.71 2e8p s LEU 11 Cb -0.14 -0.08 -0.08 0.00 0.50 0.00 0.00 46.19 46.38 2e8p s LEU 11 CO 0.01 -0.42 2.30 1.21 -1.32 0.00 0.00 176.35 178.14 2e8p n GLU 12 N 0.24 1.39 0.00 1.98 2.13 -1.26 -4.66 120.64 120.46 2e8p n GLU 12 Ca -0.14 0.29 0.00 0.00 0.66 0.00 0.00 57.16 57.97 2e8p n GLU 12 Cb 0.60 -3.05 0.00 0.00 0.27 0.00 0.00 31.44 29.25 2e8p n GLU 12 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2e8p n GLY 13 N 6.05 1.63 3.64 8.31 0.00 -1.26 -5.18 105.19 118.38 2e8p n GLY 13 Ca 0.36 0.16 -0.08 0.00 0.00 0.00 0.00 46.02 46.47 2e8p n GLY 13 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2e8p s THR 14 N 2.01 0.00 0.50 2.61 -1.32 -1.26 -5.18 115.64 113.00 2e8p s THR 14 Ca 0.00 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.50 2e8p s THR 14 Cb 0.00 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 2e8p s THR 14 CO 0.00 0.00 0.01 -1.61 -2.21 0.00 0.00 174.62 170.81 2e8p s GLU 15 N 0.58 2.17 0.04 7.08 8.01 -1.26 -5.16 118.70 130.16 2e8p s GLU 15 Ca -0.01 -2.38 0.00 0.00 0.01 0.00 0.00 54.97 52.60 2e8p s GLU 15 Cb -0.05 -1.51 0.01 0.00 -4.31 0.00 0.00 34.13 28.27 2e8p s GLU 15 CO -0.09 -0.35 0.06 1.17 0.01 0.00 0.00 175.26 176.07 2e8p n LYS 16 N -1.23 0.81 -4.49 1.61 3.00 -1.26 -5.11 118.16 111.49 2e8p n LYS 16 Ca -0.18 -0.20 -0.34 0.00 -0.00 0.00 0.00 58.31 57.59 2e8p n LYS 16 Cb 0.67 -0.03 -0.11 0.00 0.00 0.00 0.00 35.03 35.56 2e8p n LYS 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2e8p s ALA 17 N -2.34 3.06 0.38 3.14 0.00 -1.26 -4.98 121.76 119.74 2e8p s ALA 17 Ca 0.04 -0.84 0.38 0.00 0.00 0.00 0.00 51.96 51.54 2e8p s ALA 17 Cb -0.00 -1.40 2.00 0.00 0.00 0.00 0.00 23.12 23.71 2e8p s ALA 17 CO 0.03 0.45 2.16 0.77 0.00 0.00 0.00 175.76 179.16 2e8p h SER 18 N 5.76 0.00 -0.29 0.00 0.02 -1.97 0.12 113.55 117.19 2e8p h SER 18 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2e8p h SER 18 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2e8p h SER 18 CO 0.57 0.00 0.00 -2.67 -1.14 0.00 0.00 176.83 173.59 2e8p n TRP 19 N -2.88 0.90 -3.83 3.45 4.27 -1.26 -4.92 117.44 113.17 2e8p n TRP 19 Ca -0.02 -0.80 -0.36 0.00 -3.89 0.00 0.00 57.50 52.43 2e8p n TRP 19 Cb 0.10 -0.27 -0.13 0.00 -1.36 0.00 0.00 31.31 29.65 2e8p n TRP 19 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 2e8p s LEU 20 N -2.48 3.37 0.00 5.67 1.43 0.03 -4.40 118.68 122.31 2e8p s LEU 20 Ca 0.39 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 2e8p s LEU 20 Cb 0.30 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.63 2e8p s LEU 20 CO 0.10 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.29 2e8p n GLY 21 N 4.75 2.49 3.30 -3.19 0.00 -1.26 -4.78 105.19 106.49 2e8p n GLY 21 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 2e8p n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2e8p s GLU 22 N -0.32 1.70 0.93 1.61 2.56 -1.26 -5.13 118.70 118.80 2e8p s GLU 22 Ca 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 54.97 53.87 2e8p s GLU 22 Cb 0.00 -1.81 0.15 0.00 2.00 0.00 0.00 34.13 34.47 2e8p s GLU 22 CO 0.00 0.47 1.10 1.04 -0.56 0.00 0.00 175.26 177.31 2e8p n GLN 23 N 1.96 -0.54 0.00 4.30 6.02 -1.26 -4.87 117.38 122.99 2e8p n GLN 23 Ca -0.17 -0.09 0.07 0.00 -0.01 0.00 0.00 57.00 56.80 2e8p n GLN 23 Cb 0.52 -2.34 0.33 0.00 1.02 0.00 0.00 30.24 29.77 2e8p n GLN 23 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2e8p n PRO 24 N -4.15 0.07 0.10 -1.09 -0.04 -1.26 -2.27 135.00 126.36 2e8p n PRO 24 Ca 0.11 0.22 0.03 0.00 -0.04 0.00 0.00 63.50 63.82 2e8p n PRO 24 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 2e8p n PRO 24 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2e8p h GLN 25 N 0.00 0.00 -1.42 0.54 4.20 -1.90 -3.35 115.11 113.18 2e8p h GLN 25 Ca 0.00 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 58.06 2e8p h GLN 25 Cb 0.21 0.00 -0.35 0.00 0.30 0.00 0.00 27.48 27.64 2e8p h GLN 25 CO 0.00 0.35 0.07 1.19 -0.67 0.00 0.00 178.83 179.78 2e8p n PHE 26 N -3.04 3.13 -3.72 2.96 3.01 -0.96 -2.67 117.46 116.16 2e8p n PHE 26 Ca -0.02 -2.69 -0.22 0.00 1.01 0.00 0.00 57.45 55.53 2e8p n PHE 26 Cb 0.75 -0.70 -0.02 0.00 -0.01 0.00 0.00 39.48 39.50 2e8p n PHE 26 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 2e8p s TRP 27 N -3.76 3.43 0.33 1.38 0.52 -1.25 -4.84 118.94 114.75 2e8p s TRP 27 Ca 0.53 0.08 0.07 0.00 0.02 0.00 0.00 56.10 56.80 2e8p s TRP 27 Cb 0.43 -1.72 -0.03 0.00 -1.15 0.00 0.00 33.47 31.00 2e8p s TRP 27 CO -0.18 0.28 0.31 0.45 0.02 0.00 0.00 176.95 177.83 2e8p s SER 28 N -4.02 5.38 0.57 2.95 0.15 -0.69 -3.03 113.70 115.01 2e8p s SER 28 Ca 0.37 -0.45 0.28 0.00 0.70 0.00 0.00 55.95 56.85 2e8p s SER 28 Cb -0.09 -1.02 1.50 0.00 -1.71 0.00 0.00 66.02 64.70 2e8p s SER 28 CO 0.32 -0.35 1.99 0.11 1.20 0.00 0.00 173.24 176.50 2e8p h LYS 29 N 1.21 0.00 0.05 5.44 1.57 -1.75 -1.37 116.57 121.72 2e8p h LYS 29 Ca -0.45 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.16 2e8p h LYS 29 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 2e8p h LYS 29 CO 0.58 0.00 -0.91 1.15 -0.57 0.00 0.00 179.45 179.70 2e8p h THR 30 N 0.00 1.25 -0.73 -0.16 2.02 -1.90 -3.34 112.91 110.06 2e8p h THR 30 Ca 0.20 -2.32 0.12 0.00 0.77 0.00 0.00 66.41 65.18 2e8p h THR 30 Cb 0.94 2.79 -0.09 0.00 -1.74 0.00 0.00 68.15 70.05 2e8p h THR 30 CO -0.00 0.55 0.30 1.56 0.37 0.00 0.00 175.52 178.30 2e8p h GLN 31 N -0.74 0.46 0.10 6.66 4.20 -1.68 0.24 115.11 124.35 2e8p h GLN 31 Ca -0.22 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.47 2e8p h GLN 31 Cb 1.38 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 2e8p h GLN 31 CO -0.04 0.31 -0.28 0.28 -0.67 0.00 0.00 178.83 178.43 2e8p h VAL 32 N 0.48 0.00 -0.73 -0.54 2.07 -1.44 -0.05 116.25 116.05 2e8p h VAL 32 Ca 0.39 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.93 2e8p h VAL 32 Cb 0.53 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 2e8p h VAL 32 CO -0.36 0.00 0.47 -0.07 0.02 0.00 0.00 177.57 177.63 2e8p h LEU 33 N -0.42 0.78 -2.11 2.57 3.38 -1.60 -0.93 115.31 116.96 2e8p h LEU 33 Ca -0.01 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2e8p h LEU 33 Cb 0.42 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2e8p h LEU 33 CO -0.13 0.54 0.29 0.44 0.09 0.00 0.00 178.44 179.68 2e8p h ASP 34 N 0.92 0.00 0.65 -0.43 3.32 -0.19 0.54 116.42 121.23 2e8p h ASP 34 Ca 0.29 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.07 2e8p h ASP 34 Cb -0.02 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2e8p h ASP 34 CO -0.10 0.00 -1.37 -0.25 -1.72 0.00 0.00 179.24 175.80 2e8p h TRP 35 N 0.00 0.22 0.28 4.55 7.01 0.38 -3.33 115.95 125.06 2e8p h TRP 35 Ca 0.14 -0.16 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 2e8p h TRP 35 Cb 0.73 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.78 2e8p h TRP 35 CO 0.00 1.17 -0.14 0.82 -2.79 0.00 0.00 178.44 177.51 2e8p h ILE 36 N 0.03 0.73 -0.96 2.65 2.04 -0.41 -2.50 117.51 119.08 2e8p h ILE 36 Ca -0.17 -0.04 0.22 0.00 1.00 0.00 0.00 64.86 65.87 2e8p h ILE 36 Cb 1.93 0.75 -0.08 0.00 -0.74 0.00 0.00 36.82 38.68 2e8p h ILE 36 CO 0.14 0.01 0.62 -1.28 0.00 0.00 0.00 178.15 177.64 2e8p h SER 37 N -0.40 0.51 -0.31 1.72 0.87 -1.63 0.30 113.55 114.61 2e8p h SER 37 Ca -0.04 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2e8p h SER 37 Cb 0.31 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2e8p h SER 37 CO 0.06 0.17 0.17 0.22 -0.53 0.00 0.00 176.83 176.93 2e8p h TYR 38 N 0.49 0.42 0.00 2.24 3.20 -1.56 -0.23 116.97 121.52 2e8p h TYR 38 Ca 0.53 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.31 2e8p h TYR 38 Cb 1.19 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 2e8p h TYR 38 CO -0.00 0.33 -0.36 1.96 -1.64 0.00 0.00 178.16 178.44 2e8p h GLN 39 N 0.38 0.00 0.00 1.82 1.08 -0.78 -1.78 115.11 115.83 2e8p h GLN 39 Ca 0.11 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.20 2e8p h GLN 39 Cb 0.05 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 2e8p h GLN 39 CO -0.02 0.36 -0.52 0.28 -0.95 0.00 0.00 178.83 177.98 2e8p h VAL 40 N 0.00 1.03 0.00 -0.54 2.07 -0.07 -2.82 116.25 115.92 2e8p h VAL 40 Ca -0.00 -2.06 -0.18 0.00 0.82 0.00 0.00 66.70 65.27 2e8p h VAL 40 Cb 1.09 2.24 -0.03 0.00 -1.52 0.00 0.00 31.29 33.07 2e8p h VAL 40 CO 0.05 0.51 -1.68 1.21 0.02 0.00 0.00 177.57 177.67 2e8p n GLU 41 N -3.42 0.64 -0.05 1.57 4.07 -0.14 -1.47 120.64 121.84 2e8p n GLU 41 Ca 0.01 0.12 -0.14 0.00 -0.06 0.00 0.00 57.16 57.09 2e8p n GLU 41 Cb 0.65 -1.71 -0.08 0.00 -0.06 0.00 0.00 31.44 30.24 2e8p n GLU 41 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 2e8p h LYS 42 N 0.00 0.36 -0.13 5.31 1.63 -1.33 -3.03 116.57 119.38 2e8p h LYS 42 Ca -0.22 -0.22 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 2e8p h LYS 42 Cb 1.63 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 33.29 2e8p h LYS 42 CO 0.04 0.81 0.00 0.09 -3.45 0.00 0.00 179.45 176.93 2e8p n ASN 43 N -4.50 1.13 -1.70 4.20 3.02 -1.07 -4.88 115.26 111.46 2e8p n ASN 43 Ca -0.07 -1.67 -0.20 0.00 -0.03 0.00 0.00 54.58 52.61 2e8p n ASN 43 Cb 0.41 -0.08 -0.08 0.00 -0.61 0.00 0.00 39.78 39.42 2e8p n ASN 43 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2e8p n LYS 44 N -0.01 -1.48 -1.63 3.52 5.02 -1.15 -4.88 118.16 117.55 2e8p n LYS 44 Ca 0.14 1.16 -0.48 0.00 -2.02 0.00 0.00 58.31 57.11 2e8p n LYS 44 Cb 0.23 -5.57 -0.04 0.00 -0.02 0.00 0.00 35.03 29.62 2e8p n LYS 44 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 2e8p n TYR 45 N -2.56 1.87 0.03 2.13 9.36 -0.55 -4.82 117.16 122.63 2e8p n TYR 45 Ca -0.21 0.47 0.21 0.00 3.32 0.00 0.00 57.90 61.70 2e8p n TYR 45 Cb 0.66 -2.42 0.73 0.00 -0.63 0.00 0.00 39.34 37.68 2e8p n TYR 45 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 2e8p h ASP 46 N 4.84 0.00 -1.60 2.98 3.58 -1.90 -3.45 116.42 120.88 2e8p h ASP 46 Ca -0.46 0.00 -0.40 0.00 0.42 0.00 0.00 57.03 56.60 2e8p h ASP 46 Cb 1.30 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 42.24 2e8p h ASP 46 CO 0.80 0.00 -0.41 0.00 -2.88 0.00 0.00 179.24 176.75 2e8p n ALA 47 N -2.52 -0.40 -1.15 -0.78 0.00 -1.26 -4.85 120.51 109.55 2e8p n ALA 47 Ca 0.09 0.26 -0.05 0.00 0.00 0.00 0.00 53.44 53.74 2e8p n ALA 47 Cb 0.63 -2.01 0.26 0.00 0.00 0.00 0.00 19.45 18.33 2e8p n ALA 47 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2e8p n SER 48 N -1.37 4.04 0.00 0.00 3.41 -1.26 -4.38 113.62 114.06 2e8p n SER 48 Ca -0.21 -3.36 0.00 0.00 -0.26 0.00 0.00 58.87 55.04 2e8p n SER 48 Cb 0.65 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 2e8p n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2e8p n ALA 49 N -0.56 1.92 -1.70 7.33 0.00 -1.26 -5.06 120.51 121.18 2e8p n ALA 49 Ca 0.39 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.40 2e8p n ALA 49 Cb 1.27 0.31 -0.01 0.00 0.00 0.00 0.00 19.45 21.03 2e8p n ALA 49 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2e8p n ILE 50 N -2.05 1.89 -0.01 0.00 5.41 -1.26 -4.57 119.36 118.77 2e8p n ILE 50 Ca 0.00 -0.47 -0.07 0.00 1.00 0.00 0.00 62.75 63.21 2e8p n ILE 50 Cb 0.37 -1.59 -0.13 0.00 -0.71 0.00 0.00 39.64 37.58 2e8p n ILE 50 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2e8p h ASP 51 N 2.75 0.00 -1.88 4.38 1.82 -1.89 -3.48 116.42 118.12 2e8p h ASP 51 Ca -0.46 0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 55.80 2e8p h ASP 51 Cb 1.28 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 41.19 2e8p h ASP 51 CO 0.64 0.94 -0.39 0.49 -1.61 0.00 0.00 179.24 179.31 2e8p n PHE 52 N -3.05 -0.48 -0.01 0.28 3.72 -1.26 -4.76 117.46 111.90 2e8p n PHE 52 Ca -0.14 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.25 2e8p n PHE 52 Cb 1.01 -3.35 -0.02 0.00 -0.94 0.00 0.00 39.48 36.19 2e8p n PHE 52 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2e8p n SER 53 N -1.40 4.47 -1.63 4.37 2.88 -1.26 -4.63 113.62 116.41 2e8p n SER 53 Ca -0.20 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.42 2e8p n SER 53 Cb 0.63 0.57 0.37 0.00 -0.75 0.00 0.00 64.21 65.03 2e8p n SER 53 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2e8p n ARG 54 N -2.06 4.18 -1.77 -1.46 1.74 -1.26 -4.55 116.66 111.47 2e8p n ARG 54 Ca -0.03 -3.00 -0.38 0.00 -0.77 0.00 0.00 57.85 53.67 2e8p n ARG 54 Cb 0.55 -2.05 0.04 0.00 -1.02 0.00 0.00 32.46 29.98 2e8p n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2e8p n ASP 56 N -0.49 6.21 -3.89 0.00 8.00 -1.26 -4.94 116.55 120.18 2e8p n ASP 56 Ca 0.55 -3.34 -0.27 0.00 0.71 0.00 0.00 54.79 52.45 2e8p n ASP 56 Cb 0.33 -1.33 -0.17 0.00 -0.02 0.00 0.00 41.12 39.94 2e8p n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e8p s MET 57 N -1.89 1.44 0.07 -1.24 0.23 -1.26 -5.03 119.30 111.61 2e8p s MET 57 Ca 0.36 -0.27 -0.25 0.00 -1.03 0.00 0.00 55.69 54.49 2e8p s MET 57 Cb 0.08 -1.62 -0.16 0.00 -1.53 0.00 0.00 34.83 31.60 2e8p s MET 57 CO 0.05 -0.30 1.63 0.38 -2.03 0.00 0.00 175.02 174.75 2e8p h ASP 58 N 8.18 -0.18 0.00 -1.18 2.03 -1.85 -3.40 116.42 120.02 2e8p h ASP 58 Ca -0.28 -0.05 0.00 0.00 -0.73 0.00 0.00 57.03 55.97 2e8p h ASP 58 Cb 1.13 0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 2e8p h ASP 58 CO 0.40 -0.07 0.00 0.61 -1.03 0.00 0.00 179.24 179.15 2e8p n GLY 59 N -0.99 -1.51 0.34 7.15 0.00 -1.17 -1.71 105.19 107.31 2e8p n GLY 59 Ca -0.09 0.59 0.17 0.00 0.00 0.00 0.00 46.02 46.70 2e8p n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e8p h ALA 60 N 0.00 1.84 0.00 4.61 0.00 -1.64 0.17 119.26 124.23 2e8p h ALA 60 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2e8p h ALA 60 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2e8p h ALA 60 CO 0.00 -0.32 -0.39 1.15 0.00 0.00 0.00 179.25 179.69 2e8p h THR 61 N 0.00 0.78 -0.08 0.00 2.02 -1.89 -2.40 112.91 111.34 2e8p h THR 61 Ca 0.09 -1.74 -0.07 0.00 0.77 0.00 0.00 66.41 65.47 2e8p h THR 61 Cb 0.53 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 2e8p h THR 61 CO -0.00 0.38 -0.21 0.25 0.37 0.00 0.00 175.52 176.31 2e8p h LEU 62 N 0.00 0.32 -0.90 2.58 5.85 -0.96 0.24 115.31 122.44 2e8p h LEU 62 Ca -0.00 -0.60 -0.08 0.00 0.84 0.00 0.00 57.88 58.04 2e8p h LEU 62 Cb 1.09 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 2e8p h LEU 62 CO 0.05 0.86 -0.39 0.00 -0.34 0.00 0.00 178.44 178.62 2e8p h ASN 64 N 0.00 0.00 -2.53 0.00 2.35 -1.42 -3.47 115.58 110.50 2e8p h ASN 64 Ca -0.00 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.27 2e8p h ASN 64 Cb 0.92 0.00 0.23 0.00 0.05 0.00 0.00 38.32 39.52 2e8p h ASN 64 CO 0.05 0.54 -1.00 0.00 -1.65 0.00 0.00 177.43 175.37 2e8p s ALA 66 N -2.27 3.74 0.09 0.00 0.00 -1.26 -5.01 121.76 117.06 2e8p s ALA 66 Ca 0.56 -1.23 -0.33 0.00 0.00 0.00 0.00 51.96 50.96 2e8p s ALA 66 Cb -0.14 -1.52 -0.14 0.00 0.00 0.00 0.00 23.12 21.32 2e8p s ALA 66 CO 0.67 0.39 1.52 1.25 0.00 0.00 0.00 175.76 179.58 2e8p h LEU 67 N 1.83 -1.46 -0.88 0.00 5.85 -1.98 -1.63 115.31 117.04 2e8p h LEU 67 Ca -0.49 0.15 0.16 0.00 0.84 0.00 0.00 57.88 58.53 2e8p h LEU 67 Cb 1.22 0.53 -0.10 0.00 0.37 0.00 0.00 40.66 42.68 2e8p h LEU 67 CO 0.63 -0.55 0.47 -0.33 -0.34 0.00 0.00 178.44 178.32 2e8p h GLU 68 N -0.76 0.62 0.08 1.25 5.08 -1.98 -1.93 114.58 116.94 2e8p h GLU 68 Ca -0.02 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2e8p h GLU 68 Cb 0.74 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 2e8p h GLU 68 CO -0.23 0.41 -0.37 0.93 -1.00 0.00 0.00 179.01 178.75 2e8p h GLU 69 N 0.64 -0.56 -0.15 2.33 5.08 -1.75 0.41 114.58 120.58 2e8p h GLU 69 Ca 0.49 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.93 2e8p h GLU 69 Cb 0.72 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2e8p h GLU 69 CO -0.38 -0.37 0.16 -0.07 -1.00 0.00 0.00 179.01 177.35 2e8p h LEU 70 N -0.58 0.00 0.00 1.33 3.38 -0.58 0.25 115.31 119.11 2e8p h LEU 70 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2e8p h LEU 70 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2e8p h LEU 70 CO -0.24 0.00 -0.13 0.03 0.09 0.00 0.00 178.44 178.18 2e8p h ARG 71 N 0.00 0.00 0.00 1.13 3.08 -0.41 -0.80 114.38 117.38 2e8p h ARG 71 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2e8p h ARG 71 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 2e8p h ARG 71 CO -0.00 0.04 -1.07 1.28 -1.07 0.00 0.00 179.97 179.15 2e8p n LEU 72 N -3.07 0.63 -0.09 3.04 4.32 0.75 -2.13 117.00 120.44 2e8p n LEU 72 Ca 0.03 0.12 -0.10 0.00 -0.02 0.00 0.00 56.01 56.05 2e8p n LEU 72 Cb 0.55 -0.09 -0.15 0.00 -1.62 0.00 0.00 43.42 42.11 2e8p n LEU 72 CO 0.35 -0.04 -1.12 0.52 -1.22 0.00 0.00 177.39 175.87 2e8p n VAL 73 N -2.23 1.31 -1.25 4.08 0.31 -0.47 -4.47 118.33 115.60 2e8p n VAL 73 Ca 0.01 -0.80 0.08 0.00 -0.01 0.00 0.00 64.34 63.62 2e8p n VAL 73 Cb 0.49 -0.52 0.18 0.00 -0.91 0.00 0.00 33.84 33.07 2e8p n VAL 73 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2e8p n PHE 74 N -2.72 0.17 -4.95 3.52 3.72 -0.31 -3.37 117.46 113.52 2e8p n PHE 74 Ca -0.31 -1.19 0.00 0.00 -0.05 0.00 0.00 57.45 55.90 2e8p n PHE 74 Cb 1.11 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 2e8p n PHE 74 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2e8p n GLY 75 N -1.23 1.04 0.00 1.37 0.00 -0.91 -2.34 105.19 103.12 2e8p n GLY 75 Ca 0.19 -0.60 0.07 0.00 0.00 0.00 0.00 46.02 45.67 2e8p n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2e8p n PRO 76 N 0.00 0.15 0.17 1.61 -0.04 -1.26 -2.49 135.00 133.15 2e8p n PRO 76 Ca 0.00 0.18 0.05 0.00 -0.04 0.00 0.00 63.50 63.69 2e8p n PRO 76 Cb 0.00 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.21 2e8p n PRO 76 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2e8p h LEU 77 N 0.00 0.00 -0.93 1.53 5.85 -1.79 -3.23 115.31 116.75 2e8p h LEU 77 Ca 0.00 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.88 2e8p h LEU 77 Cb 0.17 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.10 2e8p h LEU 77 CO 0.00 0.41 0.52 1.23 -0.34 0.00 0.00 178.44 180.26 2e8p h GLY 78 N 2.50 1.57 0.52 3.75 0.00 -1.51 0.15 103.07 110.06 2e8p h GLY 78 Ca -0.00 -0.31 0.21 0.00 0.00 0.00 0.00 47.33 47.23 2e8p h GLY 78 CO 0.05 -0.04 0.53 -1.80 0.00 0.00 0.00 176.54 175.29 2e8p h ASP 79 N 0.71 0.04 0.54 0.19 3.58 -1.80 0.29 116.42 119.97 2e8p h ASP 79 Ca 0.52 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.68 2e8p h ASP 79 Cb 0.75 -0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.75 2e8p h ASP 79 CO -0.37 0.02 -1.61 1.56 -2.88 0.00 0.00 179.24 175.96 2e8p h GLN 80 N 0.04 0.02 -0.17 0.28 1.08 -0.95 -3.32 115.11 112.10 2e8p h GLN 80 Ca 0.36 -0.04 -0.17 0.00 -1.45 0.00 0.00 58.65 57.34 2e8p h GLN 80 Cb 1.37 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.81 2e8p h GLN 80 CO -0.02 0.63 -0.60 -0.07 -0.95 0.00 0.00 178.83 177.82 2e8p h LEU 81 N 0.01 0.63 -0.59 1.46 3.38 0.09 -3.18 115.31 117.11 2e8p h LEU 81 Ca -0.25 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.35 2e8p h LEU 81 Cb 1.98 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.52 2e8p h LEU 81 CO 0.09 1.08 0.31 -0.74 0.09 0.00 0.00 178.44 179.27 2e8p h HIS 82 N 0.42 0.82 -0.39 1.13 2.76 -0.70 -1.85 115.15 117.35 2e8p h HIS 82 Ca -0.00 -0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.20 2e8p h HIS 82 Cb 1.16 -0.26 -0.06 0.00 1.55 0.00 0.00 27.41 29.80 2e8p h HIS 82 CO 0.05 0.61 0.05 0.00 -1.30 0.00 0.00 177.93 177.34 2e8p h ALA 83 N 1.13 0.40 0.18 5.26 0.00 -1.65 0.12 119.26 124.70 2e8p h ALA 83 Ca 0.20 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2e8p h ALA 83 Cb 0.08 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2e8p h ALA 83 CO -0.03 -0.35 -0.09 1.96 0.00 0.00 0.00 179.25 180.74 2e8p h GLN 84 N 0.17 -0.23 -0.64 0.00 1.08 -1.50 -2.71 115.11 111.27 2e8p h GLN 84 Ca 0.19 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.50 2e8p h GLN 84 Cb 0.24 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.68 2e8p h GLN 84 CO -0.27 -0.06 0.43 -0.07 -0.95 0.00 0.00 178.83 177.91 2e8p h LEU 85 N -0.36 0.44 -1.79 1.46 3.38 -1.03 0.29 115.31 117.70 2e8p h LEU 85 Ca -0.02 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2e8p h LEU 85 Cb 0.28 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2e8p h LEU 85 CO 0.04 0.26 0.06 0.03 0.09 0.00 0.00 178.44 178.93 2e8p h ARG 86 N 0.49 0.20 0.08 1.13 3.08 -0.45 -1.82 114.38 117.09 2e8p h ARG 86 Ca 0.30 -0.02 -0.27 0.00 0.07 0.00 0.00 59.98 60.06 2e8p h ARG 86 Cb 0.51 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2e8p h ARG 86 CO -0.09 0.16 -1.34 -0.44 -1.07 0.00 0.00 179.97 177.19 2e8p h ASP 87 N 0.20 0.26 0.15 7.04 5.19 -0.84 -2.88 116.42 125.54 2e8p h ASP 87 Ca 0.05 -0.33 -0.01 0.00 -0.62 0.00 0.00 57.03 56.13 2e8p h ASP 87 Cb 0.03 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.46 2e8p h ASP 87 CO -0.01 1.27 -0.07 -0.07 -3.12 0.00 0.00 179.24 177.24 2e8p h LEU 88 N 0.05 -0.17 -0.96 1.55 3.38 -0.67 -2.98 115.31 115.50 2e8p h LEU 88 Ca -0.16 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 2e8p h LEU 88 Cb 1.94 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 2e8p h LEU 88 CO 0.16 -0.01 -0.33 0.71 0.09 0.00 0.00 178.44 179.07 2e8p h THR 89 N -0.33 1.28 -2.23 0.22 1.35 -1.50 -3.38 112.91 108.32 2e8p h THR 89 Ca -0.02 -1.36 -0.67 0.00 -0.55 0.00 0.00 66.41 63.80 2e8p h THR 89 Cb 0.26 1.51 -0.16 0.00 -1.73 0.00 0.00 68.15 68.03 2e8p h THR 89 CO 0.03 0.42 0.91 -0.44 -0.25 0.00 0.00 175.52 176.19 2e8p s SER 90 N -6.85 6.57 -0.35 5.36 0.01 -1.09 -4.63 113.70 112.73 2e8p s SER 90 Ca -0.06 -1.86 0.05 0.00 1.31 0.00 0.00 55.95 55.39 2e8p s SER 90 Cb 0.14 -2.43 0.23 0.00 0.21 0.00 0.00 66.02 64.17 2e8p s SER 90 CO 0.78 -1.16 1.20 -0.24 0.41 0.00 0.00 173.24 174.23 2e8p n SER 91 N 7.00 -1.48 0.00 2.44 2.88 -1.26 -4.77 113.62 118.42 2e8p n SER 91 Ca 0.23 -2.04 0.00 0.00 -1.33 0.00 0.00 58.87 55.73 2e8p n SER 91 Cb 0.49 0.97 0.00 0.00 -0.75 0.00 0.00 64.21 64.92 2e8p n SER 91 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61