#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 1.94 0.38 1.61 0.01 -1.26 -5.18 113.70 111.19 2e8p s SER 2 Ca 0.00 -1.75 -0.13 0.00 1.31 0.00 0.00 55.95 55.38 2e8p s SER 2 Cb 0.00 0.56 0.04 0.00 0.21 0.00 0.00 66.02 66.84 2e8p s SER 2 CO 0.00 -1.04 0.72 -0.94 0.41 0.00 0.00 173.24 172.39 2e8p s SER 3 N -3.43 0.21 0.00 2.44 1.04 -1.26 -5.15 113.70 107.55 2e8p s SER 3 Ca 0.37 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.58 2e8p s SER 3 Cb 0.02 0.81 0.00 0.00 0.10 0.00 0.00 66.02 66.95 2e8p s SER 3 CO 0.25 -1.61 0.00 0.61 0.98 0.00 0.00 173.24 173.47 2e8p n GLY 4 N -0.54 0.81 3.60 7.32 0.00 -1.26 -5.18 105.19 109.94 2e8p n GLY 4 Ca -0.06 0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 2e8p n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e8p s SER 5 N 1.63 -0.62 0.00 1.61 0.01 -1.26 -5.05 113.70 110.01 2e8p s SER 5 Ca 0.00 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.30 2e8p s SER 5 Cb 0.00 0.99 0.00 0.00 0.21 0.00 0.00 66.02 67.22 2e8p s SER 5 CO 0.00 -0.33 0.00 -1.54 0.41 0.00 0.00 173.24 171.78 2e8p n SER 6 N 1.94 0.00 0.00 2.44 3.41 -1.26 -5.18 113.62 114.97 2e8p n SER 6 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2e8p n SER 6 Cb 0.56 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 2e8p n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e8p n GLY 7 N -1.24 -1.97 3.16 5.00 0.00 -1.26 -5.04 105.19 103.83 2e8p n GLY 7 Ca 0.00 -1.29 -0.38 0.00 0.00 0.00 0.00 46.02 44.35 2e8p n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2e8p s GLN 8 N -1.99 3.43 -0.14 1.61 2.00 -1.26 -5.03 119.66 118.28 2e8p s GLN 8 Ca 0.00 -3.21 0.00 0.00 -2.00 0.00 0.00 55.36 50.15 2e8p s GLN 8 Cb 0.00 -4.08 -0.01 0.00 0.80 0.00 0.00 33.01 29.73 2e8p s GLN 8 CO 0.00 -1.26 -0.15 -1.64 -0.50 0.00 0.00 175.29 171.74 2e8p s MET 9 N -1.23 3.26 -0.41 1.67 -1.94 -1.26 -5.02 119.30 114.37 2e8p s MET 9 Ca 0.27 -0.74 0.09 0.00 -1.71 0.00 0.00 55.69 53.61 2e8p s MET 9 Cb -0.09 -2.60 0.34 0.00 2.01 0.00 0.00 34.83 34.50 2e8p s MET 9 CO -0.11 0.10 0.91 -1.13 -0.01 0.00 0.00 175.02 174.78 2e8p n SER 10 N 3.82 -0.58 -4.88 3.03 3.41 -1.26 -5.12 113.62 112.04 2e8p n SER 10 Ca -0.19 -3.30 -0.35 0.00 -0.26 0.00 0.00 58.87 54.77 2e8p n SER 10 Cb 0.52 0.51 -0.05 0.00 -0.26 0.00 0.00 64.21 64.93 2e8p n SER 10 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2e8p s LEU 11 N -2.38 4.38 0.01 1.04 1.02 -1.26 -5.10 118.68 116.38 2e8p s LEU 11 Ca 0.32 0.60 -0.25 0.00 0.02 0.00 0.00 54.13 54.82 2e8p s LEU 11 Cb 0.33 -2.63 0.06 0.00 0.02 0.00 0.00 46.19 43.96 2e8p s LEU 11 CO -0.06 0.27 0.55 -1.83 0.02 0.00 0.00 176.35 175.29 2e8p s GLU 12 N -1.65 1.00 0.00 1.70 -1.05 -1.26 -5.17 118.70 112.28 2e8p s GLU 12 Ca 0.26 -0.05 0.00 0.00 -0.15 0.00 0.00 54.97 55.03 2e8p s GLU 12 Cb -0.13 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.02 2e8p s GLU 12 CO 0.15 -0.34 0.00 0.41 0.95 0.00 0.00 175.26 176.43 2e8p n GLY 13 N 0.69 -0.57 2.68 -3.83 0.00 -1.26 -5.11 105.19 97.78 2e8p n GLY 13 Ca -0.19 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 44.87 2e8p n GLY 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2e8p s THR 14 N -3.41 -0.27 0.48 2.61 -4.23 -1.26 -5.14 115.64 104.41 2e8p s THR 14 Ca 0.00 -0.61 0.02 0.00 -1.18 0.00 0.00 61.69 59.92 2e8p s THR 14 Cb 0.00 -0.98 -0.02 0.00 1.34 0.00 0.00 72.50 72.83 2e8p s THR 14 CO 0.00 -0.57 0.01 -1.61 -0.54 0.00 0.00 174.62 171.91 2e8p s GLU 15 N 2.23 2.13 0.53 3.99 2.02 -1.26 -5.17 118.70 123.17 2e8p s GLU 15 Ca 0.10 -2.33 0.05 0.00 0.02 0.00 0.00 54.97 52.80 2e8p s GLU 15 Cb -0.15 -1.47 0.03 0.00 0.10 0.00 0.00 34.13 32.64 2e8p s GLU 15 CO -0.33 -0.32 0.34 0.21 0.02 0.00 0.00 175.26 175.18 2e8p s LYS 16 N -3.84 2.26 -0.12 1.61 2.47 -1.26 -5.13 119.74 115.73 2e8p s LYS 16 Ca 0.12 -2.04 -0.06 0.00 -1.56 0.00 0.00 55.97 52.43 2e8p s LYS 16 Cb 0.03 -2.03 -0.04 0.00 -1.46 0.00 0.00 37.83 34.33 2e8p s LYS 16 CO 0.06 -0.55 0.10 0.00 0.16 0.00 0.00 175.35 175.13 2e8p s ALA 17 N -2.77 3.72 0.24 3.13 0.00 -1.26 -4.97 121.76 119.85 2e8p s ALA 17 Ca 0.31 -0.68 0.35 0.00 0.00 0.00 0.00 51.96 51.94 2e8p s ALA 17 Cb -0.01 -1.86 1.81 0.00 0.00 0.00 0.00 23.12 23.05 2e8p s ALA 17 CO 0.19 0.58 2.06 1.03 0.00 0.00 0.00 175.76 179.62 2e8p h SER 18 N 5.15 0.00 -0.31 0.00 0.87 -1.98 -0.07 113.55 117.21 2e8p h SER 18 Ca -0.53 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.03 2e8p h SER 18 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2e8p h SER 18 CO 0.58 0.00 0.00 -2.67 -0.53 0.00 0.00 176.83 174.21 2e8p n TRP 19 N -2.77 0.90 -3.83 2.24 4.27 -1.26 -4.92 117.44 112.06 2e8p n TRP 19 Ca -0.02 -0.77 -0.36 0.00 -3.89 0.00 0.00 57.50 52.46 2e8p n TRP 19 Cb 0.11 -0.25 -0.13 0.00 -1.36 0.00 0.00 31.31 29.68 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 -2.36 3.36 0.00 5.67 1.43 -0.04 -4.40 118.68 122.34 2e8p s LEU 20 Ca 0.38 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 2e8p s LEU 20 Cb 0.29 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.62 2e8p s LEU 20 CO 0.11 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.29 2e8p n GLY 21 N 4.76 2.49 3.30 -3.19 0.00 -1.26 -4.78 105.19 106.51 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 -0.35 1.72 0.93 1.61 2.56 -1.26 -5.11 118.70 118.81 2e8p s GLU 22 Ca 0.00 -1.01 -0.10 0.00 0.00 0.00 0.00 54.97 53.86 2e8p s GLU 22 Cb 0.00 -1.83 0.16 0.00 2.00 0.00 0.00 34.13 34.46 2e8p s GLU 22 CO 0.00 0.48 1.14 1.04 -0.56 0.00 0.00 175.26 177.36 2e8p n GLN 23 N 1.96 -0.58 0.00 4.30 6.02 -1.26 -4.87 117.38 122.95 2e8p n GLN 23 Ca -0.17 -0.10 0.07 0.00 -0.01 0.00 0.00 57.00 56.79 2e8p n GLN 23 Cb 0.52 -2.36 0.33 0.00 1.02 0.00 0.00 30.24 29.74 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 -4.29 0.07 0.12 -1.09 -0.04 -1.26 -2.24 135.00 126.26 2e8p n PRO 24 Ca 0.11 0.22 0.05 0.00 -0.04 0.00 0.00 63.50 63.84 2e8p n PRO 24 Cb 0.52 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.47 0.54 4.20 -1.90 -3.35 115.11 113.14 2e8p h GLN 25 Ca 0.00 0.00 -0.64 0.00 0.06 0.00 0.00 58.65 58.07 2e8p h GLN 25 Cb 0.21 0.00 -0.37 0.00 0.30 0.00 0.00 27.48 27.62 2e8p h GLN 25 CO 0.00 0.28 -0.08 1.19 -0.67 0.00 0.00 178.83 179.55 2e8p n PHE 26 N -3.02 3.17 -3.56 2.96 3.01 -0.95 -3.32 117.46 115.74 2e8p n PHE 26 Ca -0.01 -2.74 -0.21 0.00 1.01 0.00 0.00 57.45 55.50 2e8p n PHE 26 Cb 0.70 -0.58 -0.01 0.00 -0.01 0.00 0.00 39.48 39.59 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 -3.73 3.27 0.32 1.38 0.52 -1.25 -4.84 118.94 114.61 2e8p s TRP 27 Ca 0.51 -0.05 0.08 0.00 0.02 0.00 0.00 56.10 56.67 2e8p s TRP 27 Cb 0.42 -1.89 -0.03 0.00 -1.15 0.00 0.00 33.47 30.82 2e8p s TRP 27 CO -0.20 0.10 0.20 -1.12 0.02 0.00 0.00 176.95 175.96 2e8p s SER 28 N -4.10 5.07 0.58 2.95 0.01 -0.65 -3.58 113.70 113.97 2e8p s SER 28 Ca 0.41 -0.55 0.28 0.00 1.31 0.00 0.00 55.95 57.40 2e8p s SER 28 Cb -0.09 -0.96 1.55 0.00 0.21 0.00 0.00 66.02 66.73 2e8p s SER 28 CO 0.32 -0.25 2.02 0.11 0.41 0.00 0.00 173.24 175.85 2e8p h LYS 29 N 1.44 0.00 0.14 12.44 1.57 -1.79 -1.27 116.57 129.09 2e8p h LYS 29 Ca -0.45 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.04 2e8p h LYS 29 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2e8p h LYS 29 CO 0.60 0.00 -1.43 1.15 -0.57 0.00 0.00 179.45 179.20 2e8p h THR 30 N 0.00 1.06 -0.78 -0.16 2.02 -1.89 -3.31 112.91 109.84 2e8p h THR 30 Ca 0.15 -2.44 0.07 0.00 0.77 0.00 0.00 66.41 64.96 2e8p h THR 30 Cb 0.78 2.77 -0.06 0.00 -1.74 0.00 0.00 68.15 69.91 2e8p h THR 30 CO -0.00 0.74 0.46 1.56 0.37 0.00 0.00 175.52 178.65 2e8p h GLN 31 N -0.22 0.81 0.16 6.66 4.20 -1.59 0.77 115.11 125.91 2e8p h GLN 31 Ca -0.30 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.36 2e8p h GLN 31 Cb 1.83 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 29.42 2e8p h GLN 31 CO 0.10 0.54 -0.13 0.28 -0.67 0.00 0.00 178.83 178.95 2e8p h VAL 32 N 0.83 0.00 -0.22 -0.54 2.07 -1.46 0.25 116.25 117.18 2e8p h VAL 32 Ca 0.35 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.94 2e8p h VAL 32 Cb 0.22 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 2e8p h VAL 32 CO -0.19 0.00 0.24 -0.07 0.02 0.00 0.00 177.57 177.57 2e8p h LEU 33 N -0.28 0.00 -0.36 2.57 3.38 -1.63 0.25 115.31 119.24 2e8p h LEU 33 Ca -0.02 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 2e8p h LEU 33 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2e8p h LEU 33 CO 0.01 0.00 -0.52 0.44 0.09 0.00 0.00 178.44 178.45 2e8p h ASP 34 N 0.00 0.00 0.58 -0.43 5.19 -0.33 -3.21 116.42 118.22 2e8p h ASP 34 Ca 0.11 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.25 2e8p h ASP 34 Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.10 2e8p h ASP 34 CO -0.00 0.52 -1.18 -0.25 -3.12 0.00 0.00 179.24 175.21 2e8p h TRP 35 N 0.00 0.51 0.30 4.55 7.01 0.30 -3.29 115.95 125.33 2e8p h TRP 35 Ca -0.01 -0.35 -0.01 0.00 2.11 0.00 0.00 58.89 60.63 2e8p h TRP 35 Cb 1.25 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 28.29 2e8p h TRP 35 CO 0.00 1.25 -0.15 0.82 -2.79 0.00 0.00 178.44 177.57 2e8p h ILE 36 N 0.10 0.69 -0.95 2.65 2.04 -1.43 -2.43 117.51 118.18 2e8p h ILE 36 Ca -0.12 0.00 0.21 0.00 1.00 0.00 0.00 64.86 65.95 2e8p h ILE 36 Cb 1.89 0.69 -0.08 0.00 -0.74 0.00 0.00 36.82 38.58 2e8p h ILE 36 CO 0.20 0.00 0.62 -1.28 0.00 0.00 0.00 178.15 177.68 2e8p h SER 37 N -0.42 0.50 -0.31 1.72 0.87 -1.67 0.30 113.55 114.54 2e8p h SER 37 Ca -0.04 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2e8p h SER 37 Cb 0.32 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 2e8p h SER 37 CO 0.06 0.18 0.16 0.22 -0.53 0.00 0.00 176.83 176.92 2e8p h TYR 38 N 0.48 0.43 0.00 2.24 3.20 -1.51 0.51 116.97 122.32 2e8p h TYR 38 Ca 0.51 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.32 2e8p h TYR 38 Cb 1.17 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 2e8p h TYR 38 CO -0.00 0.36 -0.25 1.96 -1.64 0.00 0.00 178.16 178.58 2e8p h GLN 39 N 0.37 0.00 0.00 1.82 1.08 -0.77 -2.08 115.11 115.53 2e8p h GLN 39 Ca 0.11 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.17 2e8p h GLN 39 Cb 0.08 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 2e8p h GLN 39 CO -0.02 0.25 -0.66 0.28 -0.95 0.00 0.00 178.83 177.74 2e8p h VAL 40 N 0.00 1.17 0.00 -0.54 2.07 -0.06 -1.77 116.25 117.11 2e8p h VAL 40 Ca -0.00 -2.53 -0.12 0.00 0.82 0.00 0.00 66.70 64.87 2e8p h VAL 40 Cb 1.02 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 33.26 2e8p h VAL 40 CO 0.03 0.64 -1.38 1.21 0.02 0.00 0.00 177.57 178.10 2e8p n GLU 41 N -3.33 0.62 0.02 1.57 4.07 0.13 -2.10 120.64 121.62 2e8p n GLU 41 Ca 0.01 0.16 -0.10 0.00 -0.06 0.00 0.00 57.16 57.17 2e8p n GLU 41 Cb 0.77 -1.78 -0.13 0.00 -0.06 0.00 0.00 31.44 30.23 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 0.04 -0.26 5.31 3.64 -1.41 -3.28 116.57 120.60 2e8p h LYS 42 Ca -0.12 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2e8p h LYS 42 Cb 1.41 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 2e8p h LYS 42 CO 0.03 0.78 0.00 0.09 -2.27 0.00 0.00 179.45 178.08 2e8p n ASN 43 N -3.22 1.64 -2.46 4.20 5.03 -0.67 -4.89 115.26 114.89 2e8p n ASN 43 Ca -0.11 -1.89 -0.13 0.00 0.87 0.00 0.00 54.58 53.32 2e8p n ASN 43 Cb 1.01 -0.17 -0.01 0.00 -1.02 0.00 0.00 39.78 39.59 2e8p n ASN 43 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2e8p n LYS 44 N 0.36 -2.25 -2.45 3.52 5.02 -1.24 -4.89 118.16 116.22 2e8p n LYS 44 Ca 0.12 0.60 -0.41 0.00 -2.02 0.00 0.00 58.31 56.60 2e8p n LYS 44 Cb 0.28 -5.20 -0.03 0.00 -0.02 0.00 0.00 35.03 30.05 2e8p n LYS 44 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 2e8p s TYR 45 N -2.63 3.49 0.58 2.13 5.04 -0.89 -4.90 117.35 120.17 2e8p s TYR 45 Ca 0.01 1.43 0.28 0.00 -2.44 0.00 0.00 57.07 56.35 2e8p s TYR 45 Cb -0.00 -3.37 1.58 0.00 0.35 0.00 0.00 41.96 40.52 2e8p s TYR 45 CO 0.01 -1.01 2.04 0.22 -1.34 0.00 0.00 175.55 175.47 2e8p h ASP 46 N 5.93 0.00 -1.56 4.32 3.58 -1.90 -3.45 116.42 123.34 2e8p h ASP 46 Ca -0.43 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 56.67 2e8p h ASP 46 Cb 1.21 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.18 2e8p h ASP 46 CO 0.77 0.00 -0.37 0.00 -2.88 0.00 0.00 179.24 176.76 2e8p n ALA 47 N -2.36 -0.37 -1.21 -0.78 0.00 -1.26 -4.87 120.51 109.66 2e8p n ALA 47 Ca 0.04 0.21 -0.04 0.00 0.00 0.00 0.00 53.44 53.65 2e8p n ALA 47 Cb 0.43 -1.82 0.24 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.98 3.58 0.00 0.00 3.41 -1.26 -4.49 113.62 113.87 2e8p n SER 48 Ca -0.19 -3.42 0.00 0.00 -0.26 0.00 0.00 58.87 55.00 2e8p n SER 48 Cb 0.60 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 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 -0.74 2.04 -1.59 7.33 0.00 -1.26 -5.09 120.51 121.20 2e8p n ALA 49 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 2e8p n ALA 49 Cb 1.17 0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.78 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 -1.84 2.26 -3.74 0.00 5.41 -1.26 -4.67 119.36 115.52 2e8p n ILE 50 Ca 0.00 -0.50 -0.33 0.00 1.00 0.00 0.00 62.75 62.92 2e8p n ILE 50 Cb 0.15 -1.07 -0.09 0.00 -0.71 0.00 0.00 39.64 37.92 2e8p n ILE 50 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2e8p s ASP 51 N -0.71 5.49 0.61 4.38 1.11 -0.07 -4.90 116.67 122.58 2e8p s ASP 51 Ca 0.62 -3.63 0.32 0.00 0.18 0.00 0.00 52.55 50.03 2e8p s ASP 51 Cb -0.59 -1.81 1.80 0.00 1.07 0.00 0.00 42.92 43.39 2e8p s ASP 51 CO 0.58 -0.18 2.14 -0.26 1.18 0.00 0.00 175.17 178.63 2e8p h PHE 52 N 5.97 0.00 -0.96 4.23 -1.00 -1.93 -1.59 116.94 121.67 2e8p h PHE 52 Ca 0.12 0.00 0.15 0.00 2.81 0.00 0.00 57.97 61.05 2e8p h PHE 52 Cb 0.81 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 40.29 2e8p h PHE 52 CO 0.70 0.00 0.61 0.77 -1.61 0.00 0.00 178.31 178.78 2e8p h SER 53 N 0.00 0.77 -0.60 2.17 0.02 -1.93 0.24 113.55 114.22 2e8p h SER 53 Ca 0.05 0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 60.95 2e8p h SER 53 Cb 0.37 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.75 2e8p h SER 53 CO -0.00 0.37 0.14 0.54 -1.14 0.00 0.00 176.83 176.74 2e8p n ARG 54 N -4.62 3.93 -2.73 3.45 1.74 -0.60 -4.65 116.66 113.19 2e8p n ARG 54 Ca 0.19 -2.78 -0.42 0.00 -0.77 0.00 0.00 57.85 54.08 2e8p n ARG 54 Cb 0.46 -2.15 0.01 0.00 -1.02 0.00 0.00 32.46 29.76 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 0.64 6.34 -3.95 0.00 8.00 -1.26 -4.95 116.55 121.36 2e8p n ASP 56 Ca 0.40 -3.38 -0.25 0.00 0.71 0.00 0.00 54.79 52.27 2e8p n ASP 56 Cb 0.29 -1.30 -0.17 0.00 -0.02 0.00 0.00 41.12 39.92 2e8p n ASP 56 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2e8p s MET 57 N -2.27 1.50 -0.12 -1.24 -1.94 -1.26 -5.01 119.30 108.95 2e8p s MET 57 Ca 0.35 -0.30 -0.15 0.00 -1.71 0.00 0.00 55.69 53.88 2e8p s MET 57 Cb 0.08 -1.41 -0.26 0.00 2.01 0.00 0.00 34.83 35.26 2e8p s MET 57 CO 0.05 -0.12 0.46 -0.44 -0.01 0.00 0.00 175.02 174.97 2e8p h ASP 58 N 7.54 0.33 0.00 3.03 3.32 -1.87 -3.41 116.42 125.36 2e8p h ASP 58 Ca -0.31 -0.83 0.00 0.00 0.02 0.00 0.00 57.03 55.91 2e8p h ASP 58 Cb 1.16 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2e8p h ASP 58 CO 0.44 1.66 0.00 0.61 -1.72 0.00 0.00 179.24 180.23 2e8p n GLY 59 N 1.75 -1.59 0.28 2.75 0.00 -1.24 -1.64 105.19 105.51 2e8p n GLY 59 Ca -0.28 0.61 0.14 0.00 0.00 0.00 0.00 46.02 46.49 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 1.39 0.01 4.61 0.00 -1.68 -1.83 119.26 121.76 2e8p h ALA 60 Ca 0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 2e8p h ALA 60 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2e8p h ALA 60 CO 0.00 0.09 -0.91 1.15 0.00 0.00 0.00 179.25 179.58 2e8p h THR 61 N 0.00 1.56 -0.10 0.00 2.02 -1.91 -2.19 112.91 112.29 2e8p h THR 61 Ca -0.00 -2.84 -0.04 0.00 0.77 0.00 0.00 66.41 64.30 2e8p h THR 61 Cb 0.20 2.58 -0.00 0.00 -1.74 0.00 0.00 68.15 69.19 2e8p h THR 61 CO 0.01 0.82 -0.08 0.25 0.37 0.00 0.00 175.52 176.89 2e8p h LEU 62 N 0.05 0.24 -1.01 2.58 5.85 -1.65 0.24 115.31 121.62 2e8p h LEU 62 Ca -0.04 -0.46 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 2e8p h LEU 62 Cb 1.57 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 2e8p h LEU 62 CO 0.13 0.66 -0.36 0.00 -0.34 0.00 0.00 178.44 178.53 2e8p h ASN 64 N 0.00 0.00 -2.85 0.00 4.21 -1.32 -3.47 115.58 112.14 2e8p h ASN 64 Ca -0.00 0.00 -0.50 0.00 1.21 0.00 0.00 56.30 57.01 2e8p h ASN 64 Cb 0.85 0.00 0.23 0.00 -1.12 0.00 0.00 38.32 38.28 2e8p h ASN 64 CO 0.05 0.66 -0.85 0.00 -1.29 0.00 0.00 177.43 176.00 2e8p s ALA 66 N -2.31 3.84 0.09 0.00 0.00 -1.26 -5.00 121.76 117.12 2e8p s ALA 66 Ca 0.56 -1.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 2e8p s ALA 66 Cb -0.16 -1.64 -0.13 0.00 0.00 0.00 0.00 23.12 21.19 2e8p s ALA 66 CO 0.67 0.43 1.48 1.25 0.00 0.00 0.00 175.76 179.59 2e8p h LEU 67 N 1.89 -1.35 -1.17 0.00 5.85 -1.98 -1.36 115.31 117.19 2e8p h LEU 67 Ca -0.49 0.14 0.19 0.00 0.84 0.00 0.00 57.88 58.55 2e8p h LEU 67 Cb 1.21 0.49 -0.09 0.00 0.37 0.00 0.00 40.66 42.64 2e8p h LEU 67 CO 0.65 -0.51 0.61 1.05 -0.34 0.00 0.00 178.44 179.91 2e8p h GLU 68 N -0.70 0.65 0.33 1.25 4.11 -1.98 -1.72 114.58 116.52 2e8p h GLU 68 Ca -0.02 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.37 2e8p h GLU 68 Cb 0.68 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2e8p h GLU 68 CO -0.21 0.43 -0.30 0.93 0.07 0.00 0.00 179.01 179.93 2e8p h GLU 69 N 0.67 -0.63 -0.09 1.06 5.08 -1.69 -0.68 114.58 118.30 2e8p h GLU 69 Ca 0.54 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.97 2e8p h GLU 69 Cb 0.96 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 2e8p h GLU 69 CO -0.30 -0.42 0.11 -0.07 -1.00 0.00 0.00 179.01 177.33 2e8p h LEU 70 N -0.65 0.00 0.00 1.33 3.38 -0.42 0.20 115.31 119.15 2e8p h LEU 70 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2e8p h LEU 70 Cb 0.58 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2e8p h LEU 70 CO -0.04 0.00 -0.18 0.03 0.09 0.00 0.00 178.44 178.34 2e8p h ARG 71 N 0.00 0.00 0.00 1.13 3.08 -0.65 -0.59 114.38 117.34 2e8p h ARG 71 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2e8p h ARG 71 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2e8p h ARG 71 CO -0.00 0.12 -1.07 1.28 -1.07 0.00 0.00 179.97 179.22 2e8p n LEU 72 N -3.10 0.63 -0.09 3.04 4.77 0.58 -2.08 117.00 120.74 2e8p n LEU 72 Ca 0.03 0.13 -0.08 0.00 -0.03 0.00 0.00 56.01 56.07 2e8p n LEU 72 Cb 0.58 -0.09 -0.15 0.00 -2.33 0.00 0.00 43.42 41.43 2e8p n LEU 72 CO 0.36 -0.05 -1.09 0.52 -1.33 0.00 0.00 177.39 175.80 2e8p n VAL 73 N -2.25 1.19 -1.26 4.08 0.31 -0.50 -4.47 118.33 115.43 2e8p n VAL 73 Ca 0.01 -0.78 0.08 0.00 -0.01 0.00 0.00 64.34 63.65 2e8p n VAL 73 Cb 0.49 -0.45 0.17 0.00 -0.91 0.00 0.00 33.84 33.14 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 -2.66 0.04 -4.89 3.52 3.72 -0.23 -0.89 117.46 116.06 2e8p n PHE 74 Ca -0.29 -1.18 0.00 0.00 -0.05 0.00 0.00 57.45 55.93 2e8p n PHE 74 Cb 1.07 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 39.41 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 -1.31 1.03 0.00 1.37 0.00 -0.88 -2.32 105.19 103.08 2e8p n GLY 75 Ca 0.17 -0.60 0.07 0.00 0.00 0.00 0.00 46.02 45.66 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 0.18 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 0.26 0.00 -0.04 0.00 0.00 33.50 32.22 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 -0.95 1.53 5.85 -1.78 -3.23 115.31 116.73 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 0.39 0.56 1.23 -0.34 0.00 0.00 178.44 180.28 2e8p h GLY 78 N 2.51 1.64 0.39 3.75 0.00 -1.51 0.14 103.07 109.98 2e8p h GLY 78 Ca -0.00 -0.34 0.23 0.00 0.00 0.00 0.00 47.33 47.22 2e8p h GLY 78 CO 0.05 -0.02 0.58 -1.80 0.00 0.00 0.00 176.54 175.35 2e8p h ASP 79 N 0.76 0.03 0.46 0.19 1.82 -1.80 0.24 116.42 118.12 2e8p h ASP 79 Ca 0.53 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.87 2e8p h ASP 79 Cb 0.75 -0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.73 2e8p h ASP 79 CO -0.36 0.01 -1.66 1.56 -1.61 0.00 0.00 179.24 177.18 2e8p h GLN 80 N 0.03 0.09 -0.11 0.28 1.08 -0.98 -3.30 115.11 112.20 2e8p h GLN 80 Ca 0.39 -0.16 -0.03 0.00 -1.45 0.00 0.00 58.65 57.39 2e8p h GLN 80 Cb 1.51 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 29.00 2e8p h GLN 80 CO -0.02 0.79 -0.06 -0.07 -0.95 0.00 0.00 178.83 178.52 2e8p h LEU 81 N 0.03 0.24 -0.49 1.46 3.38 -0.08 -3.08 115.31 116.76 2e8p h LEU 81 Ca -0.28 -0.43 0.07 0.00 0.09 0.00 0.00 57.88 57.34 2e8p h LEU 81 Cb 2.00 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 42.62 2e8p h LEU 81 CO 0.10 0.62 0.15 -0.74 0.09 0.00 0.00 178.44 178.66 2e8p h HIS 82 N -0.13 0.26 -0.68 1.13 2.76 -0.82 -1.15 115.15 116.51 2e8p h HIS 82 Ca 0.02 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.34 2e8p h HIS 82 Cb 0.53 -0.04 -0.09 0.00 1.55 0.00 0.00 27.41 29.36 2e8p h HIS 82 CO 0.07 0.06 0.22 0.00 -1.30 0.00 0.00 177.93 176.99 2e8p h ALA 83 N 1.35 0.89 -0.31 5.26 0.00 -1.63 0.29 119.26 125.10 2e8p h ALA 83 Ca 0.24 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 2e8p h ALA 83 Cb 0.28 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2e8p h ALA 83 CO -0.27 -0.24 -0.21 1.96 0.00 0.00 0.00 179.25 180.49 2e8p h GLN 84 N 0.37 0.59 -0.09 0.00 1.08 -1.25 -2.80 115.11 113.00 2e8p h GLN 84 Ca 0.36 -0.21 -0.14 0.00 -1.45 0.00 0.00 58.65 57.21 2e8p h GLN 84 Cb 0.53 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 2e8p h GLN 84 CO -0.39 0.76 -0.54 -0.07 -0.95 0.00 0.00 178.83 177.63 2e8p h LEU 85 N 0.52 0.29 -1.74 1.46 3.38 0.15 -2.38 115.31 116.99 2e8p h LEU 85 Ca 0.08 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2e8p h LEU 85 Cb 0.65 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2e8p h LEU 85 CO 0.05 0.78 -0.17 0.03 0.09 0.00 0.00 178.44 179.21 2e8p h ARG 86 N 0.20 0.00 0.00 1.13 3.08 -0.25 -1.09 114.38 117.45 2e8p h ARG 86 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 2e8p h ARG 86 Cb 1.02 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.04 2e8p h ARG 86 CO 0.09 0.17 -1.33 -0.44 -1.07 0.00 0.00 179.97 177.38 2e8p h ASP 87 N 0.00 0.00 -0.04 7.04 5.19 -1.40 -3.27 116.42 123.94 2e8p h ASP 87 Ca -0.00 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 2e8p h ASP 87 Cb 0.37 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.89 2e8p h ASP 87 CO 0.02 0.71 -0.31 -0.07 -3.12 0.00 0.00 179.24 176.47 2e8p h LEU 88 N 0.00 0.34 -1.68 1.55 3.38 -0.91 -3.23 115.31 114.76 2e8p h LEU 88 Ca -0.16 -0.70 -0.02 0.00 0.09 0.00 0.00 57.88 57.09 2e8p h LEU 88 Cb 1.68 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 2e8p h LEU 88 CO 0.06 0.99 0.02 0.71 0.09 0.00 0.00 178.44 180.31 2e8p h THR 89 N -0.28 1.09 -3.60 0.22 1.35 -1.38 -3.32 112.91 107.00 2e8p h THR 89 Ca -0.03 -0.34 -0.65 0.00 -0.55 0.00 0.00 66.41 64.84 2e8p h THR 89 Cb 1.00 0.96 -0.15 0.00 -1.73 0.00 0.00 68.15 68.23 2e8p h THR 89 CO 0.06 0.12 -0.04 -0.94 -0.25 0.00 0.00 175.52 174.47 2e8p s SER 90 N -6.91 6.31 -0.42 5.36 1.04 -1.22 -4.57 113.70 113.29 2e8p s SER 90 Ca -0.06 -0.09 -0.22 0.00 0.48 0.00 0.00 55.95 56.06 2e8p s SER 90 Cb 0.17 -2.27 0.03 0.00 0.10 0.00 0.00 66.02 64.04 2e8p s SER 90 CO 0.71 -0.52 0.58 -0.24 0.98 0.00 0.00 173.24 174.75 2e8p n SER 91 N 5.79 -7.26 0.00 7.02 2.88 -1.26 -4.84 113.62 115.95 2e8p n SER 91 Ca -0.04 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2e8p n SER 91 Cb 0.49 -4.29 0.00 0.00 -0.75 0.00 0.00 64.21 59.65 2e8p n SER 91 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57