#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 6.71 -0.27 1.61 1.04 -1.26 -5.02 113.70 116.51 2e8p s SER 2 Ca 0.00 0.86 -0.26 0.00 0.48 0.00 0.00 55.95 57.03 2e8p s SER 2 Cb 0.00 -2.36 0.15 0.00 0.10 0.00 0.00 66.02 63.91 2e8p s SER 2 CO 0.00 -0.30 1.19 -0.94 0.98 0.00 0.00 173.24 174.16 2e8p s SER 3 N 1.22 -0.28 0.00 7.02 1.04 -1.26 -5.14 113.70 116.30 2e8p s SER 3 Ca 0.30 0.49 0.00 0.00 0.48 0.00 0.00 55.95 57.22 2e8p s SER 3 Cb -0.16 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2e8p s SER 3 CO 0.10 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2e8p n GLY 4 N 1.68 0.40 2.52 7.32 0.00 -1.26 -5.10 105.19 110.75 2e8p n GLY 4 Ca -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 2e8p n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2e8p n SER 5 N 0.00 -5.04 -2.45 1.61 2.88 -1.26 -5.03 113.62 104.33 2e8p n SER 5 Ca 0.00 1.23 -0.03 0.00 -1.33 0.00 0.00 58.87 58.73 2e8p n SER 5 Cb 0.00 -4.76 0.06 0.00 -0.75 0.00 0.00 64.21 58.76 2e8p n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2e8p n SER 6 N 0.90 -1.20 0.00 -3.46 3.41 -1.26 -5.15 113.62 106.85 2e8p n SER 6 Ca -0.12 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 2e8p n SER 6 Cb 0.19 0.74 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 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 -0.69 4.45 2.50 5.00 0.00 -1.26 -5.02 105.19 110.18 2e8p n GLY 7 Ca -0.13 -1.93 -0.05 0.00 0.00 0.00 0.00 46.02 43.90 2e8p n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2e8p n GLN 8 N 0.00 -4.44 0.11 1.61 1.13 -1.26 -5.03 117.38 109.50 2e8p n GLN 8 Ca 0.00 3.35 0.00 0.00 -1.94 0.00 0.00 57.00 58.41 2e8p n GLN 8 Cb 0.00 -4.83 0.00 0.00 0.11 0.00 0.00 30.24 25.52 2e8p n GLN 8 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 2e8p n MET 9 N 1.63 0.00 -0.52 -1.09 2.81 -1.26 -5.14 117.12 113.55 2e8p n MET 9 Ca -0.37 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.23 2e8p n MET 9 Cb 0.57 0.00 0.22 0.00 -0.71 0.00 0.00 33.22 33.30 2e8p n MET 9 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2e8p n SER 10 N -3.01 -2.60 -4.02 7.83 3.41 -1.26 -5.04 113.62 108.93 2e8p n SER 10 Ca 0.00 -0.31 -0.15 0.00 -0.26 0.00 0.00 58.87 58.15 2e8p n SER 10 Cb 0.00 -1.02 -0.13 0.00 -0.26 0.00 0.00 64.21 62.80 2e8p n SER 10 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2e8p s LEU 11 N -3.86 2.13 0.26 1.04 2.96 -1.26 -5.16 118.68 114.78 2e8p s LEU 11 Ca 0.59 -0.32 0.07 0.00 -0.22 0.00 0.00 54.13 54.24 2e8p s LEU 11 Cb -0.15 -0.25 -0.03 0.00 0.50 0.00 0.00 46.19 46.26 2e8p s LEU 11 CO 0.60 -0.06 0.23 -0.70 -1.32 0.00 0.00 176.35 175.11 2e8p s GLU 12 N -0.84 3.00 0.00 1.98 2.56 -1.26 -5.03 118.70 119.10 2e8p s GLU 12 Ca -0.03 -1.02 0.00 0.00 0.00 0.00 0.00 54.97 53.91 2e8p s GLU 12 Cb -0.06 -2.61 0.00 0.00 2.00 0.00 0.00 34.13 33.46 2e8p s GLU 12 CO 0.00 0.38 0.00 0.41 -0.56 0.00 0.00 175.26 175.49 2e8p n GLY 13 N -1.24 -1.30 3.64 -1.50 0.00 -1.26 -5.15 105.19 98.38 2e8p n GLY 13 Ca -0.07 0.30 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.98 -0.02 0.24 2.61 -1.32 -1.26 -5.18 115.64 109.73 2e8p s THR 14 Ca 0.00 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.49 2e8p s THR 14 Cb 0.00 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.94 2e8p s THR 14 CO 0.00 0.00 0.08 -1.61 -2.21 0.00 0.00 174.62 170.88 2e8p s GLU 15 N 1.39 1.36 0.10 7.08 2.02 -1.26 -5.17 118.70 124.22 2e8p s GLU 15 Ca -0.09 -1.72 0.10 0.00 0.02 0.00 0.00 54.97 53.28 2e8p s GLU 15 Cb -0.04 -0.23 -0.04 0.00 0.10 0.00 0.00 34.13 33.92 2e8p s GLU 15 CO -0.15 -0.28 -0.26 0.15 0.02 0.00 0.00 175.26 174.75 2e8p s LYS 16 N -4.02 1.56 0.28 1.61 1.02 -1.26 -5.11 119.74 113.82 2e8p s LYS 16 Ca 0.36 -1.26 -0.30 0.00 0.02 0.00 0.00 55.97 54.79 2e8p s LYS 16 Cb 0.08 -1.95 -0.11 0.00 -0.52 0.00 0.00 37.83 35.33 2e8p s LYS 16 CO 0.12 0.47 1.50 0.00 -0.92 0.00 0.00 175.35 176.53 2e8p s ALA 17 N -1.00 3.67 0.42 5.17 0.00 -1.26 -4.87 121.76 123.90 2e8p s ALA 17 Ca 0.14 1.44 0.39 0.00 0.00 0.00 0.00 51.96 53.93 2e8p s ALA 17 Cb -0.10 -3.60 2.07 0.00 0.00 0.00 0.00 23.12 21.49 2e8p s ALA 17 CO 0.05 -0.86 2.19 0.77 0.00 0.00 0.00 175.76 177.92 2e8p h SER 18 N 4.80 0.00 -0.29 0.00 0.02 -1.97 0.18 113.55 116.29 2e8p h SER 18 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2e8p h SER 18 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2e8p h SER 18 CO 0.77 0.00 0.00 -2.67 -1.14 0.00 0.00 176.83 173.79 2e8p n TRP 19 N -2.91 0.90 -3.77 3.45 4.27 -1.26 -4.90 117.44 113.21 2e8p n TRP 19 Ca -0.02 -0.80 -0.36 0.00 -3.89 0.00 0.00 57.50 52.42 2e8p n TRP 19 Cb 0.09 -0.27 -0.12 0.00 -1.36 0.00 0.00 31.31 29.66 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 -2.49 3.57 0.00 5.67 1.43 0.05 -4.35 118.68 122.56 2e8p s LEU 20 Ca 0.39 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 2e8p s LEU 20 Cb 0.30 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.57 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 4.76 2.46 3.30 -3.19 0.00 -1.26 -4.81 105.19 106.45 2e8p n GLY 21 Ca -0.16 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 -0.29 1.73 0.93 1.61 2.56 -1.26 -5.13 118.70 118.84 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 -1.82 0.15 0.00 2.00 0.00 0.00 34.13 34.46 2e8p s GLU 22 CO 0.00 0.48 1.10 1.04 -0.56 0.00 0.00 175.26 177.32 2e8p n GLN 23 N 1.98 -0.54 0.00 4.30 6.02 -1.26 -4.87 117.38 123.01 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 -2.24 135.00 126.39 2e8p n PRO 24 Ca 0.11 0.22 0.04 0.00 -0.04 0.00 0.00 63.50 63.83 2e8p n PRO 24 Cb 0.52 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.35 0.54 4.20 -1.90 -3.35 115.11 113.26 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 0.29 0.07 1.19 -0.67 0.00 0.00 178.83 179.71 2e8p n PHE 26 N -2.99 3.11 -3.60 2.96 3.01 -0.95 -2.99 117.46 116.00 2e8p n PHE 26 Ca -0.02 -2.68 -0.22 0.00 1.01 0.00 0.00 57.45 55.54 2e8p n PHE 26 Cb 0.72 -0.73 -0.01 0.00 -0.01 0.00 0.00 39.48 39.45 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 3.37 0.37 1.38 0.52 -1.25 -4.84 118.94 114.73 2e8p s TRP 27 Ca 0.53 0.07 0.08 0.00 0.02 0.00 0.00 56.10 56.80 2e8p s TRP 27 Cb 0.44 -1.83 -0.04 0.00 -1.15 0.00 0.00 33.47 30.89 2e8p s TRP 27 CO -0.16 0.17 0.24 0.45 0.02 0.00 0.00 176.95 177.67 2e8p s SER 28 N -4.06 4.83 0.59 2.95 0.15 -0.52 -3.11 113.70 114.52 2e8p s SER 28 Ca 0.39 -0.78 0.28 0.00 0.70 0.00 0.00 55.95 56.54 2e8p s SER 28 Cb -0.09 -0.68 1.63 0.00 -1.71 0.00 0.00 66.02 65.16 2e8p s SER 28 CO 0.32 -0.45 2.08 0.11 1.20 0.00 0.00 173.24 176.51 2e8p h LYS 29 N 1.34 0.00 0.06 5.44 1.57 -1.78 -1.92 116.57 121.28 2e8p h LYS 29 Ca -0.43 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.13 2e8p h LYS 29 Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 2e8p h LYS 29 CO 0.62 0.00 -1.14 1.15 -0.57 0.00 0.00 179.45 179.51 2e8p h THR 30 N 0.00 1.12 -0.20 -0.16 2.02 -1.91 -3.29 112.91 110.49 2e8p h THR 30 Ca 0.10 -2.33 0.06 0.00 0.77 0.00 0.00 66.41 65.01 2e8p h THR 30 Cb 0.55 2.69 -0.06 0.00 -1.74 0.00 0.00 68.15 69.58 2e8p h THR 30 CO -0.00 0.58 -0.24 1.56 0.37 0.00 0.00 175.52 177.79 2e8p h GLN 31 N -0.61 -0.26 0.17 6.66 4.20 -1.71 0.84 115.11 124.41 2e8p h GLN 31 Ca -0.27 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.47 2e8p h GLN 31 Cb 1.51 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 29.31 2e8p h GLN 31 CO -0.03 -0.17 -0.51 0.28 -0.67 0.00 0.00 178.83 177.74 2e8p h VAL 32 N -0.26 0.00 -0.36 -0.54 2.07 -1.55 0.21 116.25 115.81 2e8p h VAL 32 Ca 0.12 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.75 2e8p h VAL 32 Cb 0.45 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2e8p h VAL 32 CO -0.36 0.00 0.32 -0.07 0.02 0.00 0.00 177.57 177.49 2e8p h LEU 33 N -0.77 0.00 -0.23 2.57 3.38 -1.57 0.23 115.31 118.93 2e8p h LEU 33 Ca -0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 2e8p h LEU 33 Cb 0.75 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2e8p h LEU 33 CO -0.24 0.00 -0.80 0.44 0.09 0.00 0.00 178.44 177.93 2e8p h ASP 34 N 0.00 0.00 0.67 -0.43 3.32 0.10 -3.22 116.42 116.86 2e8p h ASP 34 Ca 0.17 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.04 2e8p h ASP 34 Cb 0.81 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 2e8p h ASP 34 CO -0.00 0.80 -0.81 -0.25 -1.72 0.00 0.00 179.24 177.25 2e8p h TRP 35 N 0.00 0.14 0.11 4.55 7.01 0.24 -3.29 115.95 124.71 2e8p h TRP 35 Ca -0.01 -0.08 -0.01 0.00 2.11 0.00 0.00 58.89 60.91 2e8p h TRP 35 Cb 1.50 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.55 2e8p h TRP 35 CO 0.00 0.87 -0.05 0.82 -2.79 0.00 0.00 178.44 177.28 2e8p h ILE 36 N 0.06 0.92 -0.96 2.65 2.04 -1.38 -2.53 117.51 118.32 2e8p h ILE 36 Ca -0.02 -0.11 0.21 0.00 1.00 0.00 0.00 64.86 65.94 2e8p h ILE 36 Cb 1.42 0.99 -0.08 0.00 -0.74 0.00 0.00 36.82 38.41 2e8p h ILE 36 CO 0.12 0.03 0.62 -1.28 0.00 0.00 0.00 178.15 177.63 2e8p h SER 37 N -0.19 0.53 -0.27 1.72 0.87 -1.63 0.30 113.55 114.87 2e8p h SER 37 Ca -0.01 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2e8p h SER 37 Cb 0.15 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2e8p h SER 37 CO 0.02 0.19 0.15 0.22 -0.53 0.00 0.00 176.83 176.89 2e8p h TYR 38 N 0.51 0.37 0.00 2.24 3.20 -1.53 0.16 116.97 121.92 2e8p h TYR 38 Ca 0.52 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.33 2e8p h TYR 38 Cb 1.15 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 2e8p h TYR 38 CO -0.00 0.30 -0.27 1.96 -1.64 0.00 0.00 178.16 178.51 2e8p h GLN 39 N 0.33 0.00 0.00 1.82 1.08 -0.88 -1.70 115.11 115.77 2e8p h GLN 39 Ca 0.10 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.14 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 0.27 -0.74 0.28 -0.95 0.00 0.00 178.83 177.67 2e8p h VAL 40 N 0.00 1.30 0.00 -0.54 2.07 -0.04 -3.01 116.25 116.02 2e8p h VAL 40 Ca -0.00 -2.78 -0.17 0.00 0.82 0.00 0.00 66.70 64.56 2e8p h VAL 40 Cb 1.01 2.61 -0.03 0.00 -1.52 0.00 0.00 31.29 33.36 2e8p h VAL 40 CO 0.04 0.73 -1.46 1.21 0.02 0.00 0.00 177.57 178.10 2e8p n GLU 41 N -3.31 0.62 -0.02 1.57 4.07 0.51 -1.48 120.64 122.59 2e8p n GLU 41 Ca 0.01 0.21 -0.13 0.00 -0.06 0.00 0.00 57.16 57.19 2e8p n GLU 41 Cb 0.82 -1.79 -0.10 0.00 -0.06 0.00 0.00 31.44 30.31 2e8p n GLU 41 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2e8p h LYS 42 N 0.00 0.06 -0.00 5.31 6.56 -1.37 -3.06 116.57 124.06 2e8p h LYS 42 Ca -0.17 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.38 2e8p h LYS 42 Cb 1.60 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.26 2e8p h LYS 42 CO 0.04 0.57 -0.00 0.09 -2.06 0.00 0.00 179.45 178.10 2e8p n ASN 43 N -4.78 0.30 -1.42 0.86 3.02 -1.14 -4.88 115.26 107.22 2e8p n ASN 43 Ca -0.08 -1.08 -0.18 0.00 -0.03 0.00 0.00 54.58 53.21 2e8p n ASN 43 Cb 0.29 -0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.39 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 -0.77 -1.24 -1.66 3.52 5.02 -1.16 -4.91 118.16 116.96 2e8p n LYS 44 Ca 0.23 1.09 -0.45 0.00 -2.02 0.00 0.00 58.31 57.15 2e8p n LYS 44 Cb 0.16 -5.36 -0.03 0.00 -0.02 0.00 0.00 35.03 29.78 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 -2.66 2.13 -0.18 2.13 9.36 -0.55 -4.83 117.16 122.56 2e8p n TYR 45 Ca -0.18 0.41 0.24 0.00 3.32 0.00 0.00 57.90 61.69 2e8p n TYR 45 Cb 0.58 -2.47 0.64 0.00 -0.63 0.00 0.00 39.34 37.47 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 4.58 0.16 -1.67 2.98 3.58 -1.91 -3.45 116.42 120.69 2e8p h ASP 46 Ca -0.45 0.02 -0.35 0.00 0.42 0.00 0.00 57.03 56.67 2e8p h ASP 46 Cb 1.28 -0.01 -0.08 0.00 1.72 0.00 0.00 39.33 42.24 2e8p h ASP 46 CO 0.79 0.06 -0.38 0.00 -2.88 0.00 0.00 179.24 176.82 2e8p n ALA 47 N -2.63 -0.39 -1.33 -0.78 0.00 -1.26 -4.87 120.51 109.25 2e8p n ALA 47 Ca 0.17 0.21 -0.12 0.00 0.00 0.00 0.00 53.44 53.70 2e8p n ALA 47 Cb 0.81 -1.84 0.20 0.00 0.00 0.00 0.00 19.45 18.61 2e8p n ALA 47 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2e8p n SER 48 N -1.04 3.18 0.00 0.00 2.88 -1.26 -4.48 113.62 112.90 2e8p n SER 48 Ca -0.19 -3.66 0.00 0.00 -1.33 0.00 0.00 58.87 53.70 2e8p n SER 48 Cb 0.61 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 2e8p n SER 48 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2e8p n ALA 49 N -1.06 2.15 -1.61 -1.46 0.00 -1.26 -5.10 120.51 112.17 2e8p n ALA 49 Ca 0.44 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.47 2e8p n ALA 49 Cb 1.32 0.05 0.01 0.00 0.00 0.00 0.00 19.45 20.83 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 -1.75 2.37 -3.58 0.00 5.41 -1.26 -4.77 119.36 115.77 2e8p n ILE 50 Ca 0.00 -0.50 -0.40 0.00 1.00 0.00 0.00 62.75 62.85 2e8p n ILE 50 Cb 0.05 -1.16 -0.11 0.00 -0.71 0.00 0.00 39.64 37.71 2e8p n ILE 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2e8p s ASP 51 N -0.70 5.82 -0.44 4.38 -1.08 -0.99 -4.97 116.67 118.68 2e8p s ASP 51 Ca 0.62 -0.56 -0.03 0.00 -0.52 0.00 0.00 52.55 52.06 2e8p s ASP 51 Cb -0.57 -2.07 0.14 0.00 -1.46 0.00 0.00 42.92 38.96 2e8p s ASP 51 CO 0.57 -0.25 2.48 0.49 0.52 0.00 0.00 175.17 178.98 2e8p n PHE 52 N 5.05 1.73 0.00 -5.34 3.72 -1.26 -3.97 117.46 117.39 2e8p n PHE 52 Ca -0.13 -2.03 0.00 0.00 -0.05 0.00 0.00 57.45 55.24 2e8p n PHE 52 Cb 0.49 -1.25 0.00 0.00 -0.94 0.00 0.00 39.48 37.77 2e8p n PHE 52 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2e8p n SER 53 N 0.56 0.21 0.17 4.37 7.64 -1.26 -4.84 113.62 120.47 2e8p n SER 53 Ca 0.44 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.37 2e8p n SER 53 Cb 0.55 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 64.00 2e8p n SER 53 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2e8p h ARG 54 N 0.00 0.00 -5.10 1.43 2.47 -1.95 -3.38 114.38 107.85 2e8p h ARG 54 Ca 0.00 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.17 2e8p h ARG 54 Cb 0.07 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.36 2e8p h ARG 54 CO 0.00 0.42 1.95 0.00 0.56 0.00 0.00 179.97 182.90 2e8p n ASP 56 N 10.02 3.56 -4.69 0.00 2.03 -1.26 -4.96 116.55 121.25 2e8p n ASP 56 Ca 0.48 -1.98 -0.42 0.00 0.52 0.00 0.00 54.79 53.39 2e8p n ASP 56 Cb 0.44 -0.37 -0.03 0.00 -0.72 0.00 0.00 41.12 40.44 2e8p n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e8p s MET 57 N -1.08 4.33 0.03 -0.67 0.23 -1.26 -4.93 119.30 115.94 2e8p s MET 57 Ca 0.40 1.77 -0.19 0.00 -1.03 0.00 0.00 55.69 56.64 2e8p s MET 57 Cb 0.21 -3.55 -0.19 0.00 -1.53 0.00 0.00 34.83 29.77 2e8p s MET 57 CO 0.28 -0.48 1.20 0.38 -2.03 0.00 0.00 175.02 174.37 2e8p h ASP 58 N 7.55 0.56 0.00 -1.18 2.03 -1.85 -3.41 116.42 120.13 2e8p h ASP 58 Ca -0.36 -0.66 0.00 0.00 -0.73 0.00 0.00 57.03 55.28 2e8p h ASP 58 Cb 1.17 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.50 2e8p h ASP 58 CO 0.88 1.14 0.00 0.61 -1.03 0.00 0.00 179.24 180.84 2e8p n GLY 59 N 0.77 -1.50 0.39 7.15 0.00 -1.18 -1.43 105.19 109.38 2e8p n GLY 59 Ca -0.08 0.63 0.20 0.00 0.00 0.00 0.00 46.02 46.76 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 2.42 0.00 4.61 0.00 -1.71 0.24 119.26 124.82 2e8p h ALA 60 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 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 -0.60 -0.46 1.15 0.00 0.00 0.00 179.25 179.34 2e8p h THR 61 N 0.12 0.85 -0.17 0.00 2.02 -1.91 -3.02 112.91 110.81 2e8p h THR 61 Ca 0.30 -2.01 -0.02 0.00 0.77 0.00 0.00 66.41 65.45 2e8p h THR 61 Cb 1.03 2.28 -0.01 0.00 -1.74 0.00 0.00 68.15 69.71 2e8p h THR 61 CO -0.04 0.45 0.01 0.25 0.37 0.00 0.00 175.52 176.57 2e8p h LEU 62 N 0.00 0.28 -1.12 2.58 5.85 -0.85 0.90 115.31 122.94 2e8p h LEU 62 Ca -0.00 -0.29 -0.07 0.00 0.84 0.00 0.00 57.88 58.36 2e8p h LEU 62 Cb 1.24 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2e8p h LEU 62 CO 0.06 0.50 -0.32 0.00 -0.34 0.00 0.00 178.44 178.34 2e8p h ASN 64 N 0.00 0.00 -3.03 0.00 2.35 -1.37 -3.47 115.58 110.06 2e8p h ASN 64 Ca -0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 2e8p h ASN 64 Cb 0.78 0.00 0.22 0.00 0.05 0.00 0.00 38.32 39.37 2e8p h ASN 64 CO 0.04 0.78 -0.76 0.00 -1.65 0.00 0.00 177.43 175.85 2e8p s ALA 66 N -2.34 3.77 0.09 0.00 0.00 -1.26 -5.00 121.76 117.02 2e8p s ALA 66 Ca 0.56 -1.19 -0.32 0.00 0.00 0.00 0.00 51.96 51.02 2e8p s ALA 66 Cb -0.18 -1.56 -0.14 0.00 0.00 0.00 0.00 23.12 21.24 2e8p s ALA 66 CO 0.67 0.43 1.50 1.25 0.00 0.00 0.00 175.76 179.61 2e8p h LEU 67 N 1.96 -1.40 -1.83 0.00 5.85 -1.98 -0.45 115.31 117.45 2e8p h LEU 67 Ca -0.49 0.14 0.23 0.00 0.84 0.00 0.00 57.88 58.60 2e8p h LEU 67 Cb 1.21 0.51 -0.04 0.00 0.37 0.00 0.00 40.66 42.70 2e8p h LEU 67 CO 0.64 -0.53 0.59 1.05 -0.34 0.00 0.00 178.44 179.86 2e8p h GLU 68 N -0.74 0.13 0.33 1.25 4.11 -1.99 -1.32 114.58 116.36 2e8p h GLU 68 Ca -0.02 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 2e8p h GLU 68 Cb 0.71 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2e8p h GLU 68 CO -0.21 0.09 -0.16 0.93 0.07 0.00 0.00 179.01 179.73 2e8p h GLU 69 N 0.14 -0.43 -0.17 1.06 5.08 -1.53 -2.25 114.58 116.48 2e8p h GLU 69 Ca 0.42 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.86 2e8p h GLU 69 Cb 1.44 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 2e8p h GLU 69 CO -0.06 -0.14 0.18 -0.07 -1.00 0.00 0.00 179.01 177.92 2e8p h LEU 70 N -0.69 0.00 -0.09 1.33 3.38 -0.12 0.26 115.31 119.38 2e8p h LEU 70 Ca -0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2e8p h LEU 70 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2e8p h LEU 70 CO 0.07 0.00 -0.17 0.03 0.09 0.00 0.00 178.44 178.46 2e8p h ARG 71 N 0.00 0.00 0.00 1.13 3.08 -1.14 -0.35 114.38 117.10 2e8p h ARG 71 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2e8p h ARG 71 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2e8p h ARG 71 CO -0.00 0.17 -1.04 1.28 -1.07 0.00 0.00 179.97 179.31 2e8p n LEU 72 N -3.15 0.63 -0.08 3.04 4.77 0.79 -1.99 117.00 121.01 2e8p n LEU 72 Ca 0.03 0.11 -0.06 0.00 -0.03 0.00 0.00 56.01 56.06 2e8p n LEU 72 Cb 0.59 -0.09 -0.15 0.00 -2.33 0.00 0.00 43.42 41.43 2e8p n LEU 72 CO 0.36 -0.03 -1.05 0.52 -1.33 0.00 0.00 177.39 175.85 2e8p n VAL 73 N -2.19 1.07 -1.34 4.08 0.31 -0.46 -4.47 118.33 115.33 2e8p n VAL 73 Ca 0.01 -0.75 0.08 0.00 -0.01 0.00 0.00 64.34 63.67 2e8p n VAL 73 Cb 0.48 -0.40 0.15 0.00 -0.91 0.00 0.00 33.84 33.16 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 -2.62 0.00 -4.90 3.52 3.72 -0.15 -2.35 117.46 114.69 2e8p n PHE 74 Ca -0.26 -1.11 0.00 0.00 -0.05 0.00 0.00 57.45 56.03 2e8p n PHE 74 Cb 1.02 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 39.38 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 -1.20 1.04 0.00 1.37 0.00 -0.84 -2.32 105.19 103.23 2e8p n GLY 75 Ca 0.16 -0.60 0.07 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.48 135.00 133.17 2e8p n PRO 76 Ca 0.00 0.18 0.06 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 -0.92 1.53 5.85 -1.78 -3.24 115.31 116.75 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 0.38 0.52 1.23 -0.34 0.00 0.00 178.44 180.23 2e8p h GLY 78 N 2.58 1.55 0.51 3.75 0.00 -1.50 0.16 103.07 110.12 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 -0.03 0.54 -1.80 0.00 0.00 0.00 176.54 175.30 2e8p h ASP 79 N 0.71 0.00 0.22 0.19 3.58 -1.80 0.27 116.42 119.59 2e8p h ASP 79 Ca 0.51 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.61 2e8p h ASP 79 Cb 0.72 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.75 2e8p h ASP 79 CO -0.36 0.00 -1.91 1.56 -2.88 0.00 0.00 179.24 175.65 2e8p h GLN 80 N 0.00 0.21 -0.45 0.28 1.08 -0.94 -3.32 115.11 111.97 2e8p h GLN 80 Ca 0.35 -0.36 -0.07 0.00 -1.45 0.00 0.00 58.65 57.12 2e8p h GLN 80 Cb 1.43 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.97 2e8p h GLN 80 CO -0.00 1.05 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.85 2e8p h LEU 81 N 0.06 0.71 -0.23 1.46 3.38 0.06 -2.98 115.31 117.77 2e8p h LEU 81 Ca -0.38 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 2e8p h LEU 81 Cb 2.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.58 2e8p h LEU 81 CO 0.09 0.79 0.10 -0.74 0.09 0.00 0.00 178.44 178.77 2e8p h HIS 82 N 0.70 0.35 -0.95 1.13 2.76 -0.70 -1.74 115.15 116.70 2e8p h HIS 82 Ca 0.14 -0.02 0.17 0.00 -2.20 0.00 0.00 60.37 58.45 2e8p h HIS 82 Cb 0.45 -0.11 -0.10 0.00 1.55 0.00 0.00 27.41 29.20 2e8p h HIS 82 CO 0.02 0.37 0.55 0.00 -1.30 0.00 0.00 177.93 177.57 2e8p h ALA 83 N 0.94 1.51 -0.03 5.26 0.00 -1.62 0.66 119.26 125.99 2e8p h ALA 83 Ca 0.08 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2e8p h ALA 83 Cb 0.17 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2e8p h ALA 83 CO -0.01 -0.05 -0.03 1.96 0.00 0.00 0.00 179.25 181.12 2e8p h GLN 84 N 0.73 0.08 -0.61 0.00 1.08 -1.41 -3.08 115.11 111.89 2e8p h GLN 84 Ca 0.53 -0.04 0.08 0.00 -1.45 0.00 0.00 58.65 57.77 2e8p h GLN 84 Cb 0.78 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.18 2e8p h GLN 84 CO -0.37 0.55 0.41 -0.07 -0.95 0.00 0.00 178.83 178.39 2e8p h LEU 85 N -0.38 0.44 -1.55 1.46 3.38 -0.48 0.70 115.31 118.88 2e8p h LEU 85 Ca 0.01 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2e8p h LEU 85 Cb 0.53 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2e8p h LEU 85 CO 0.01 0.27 -0.24 0.03 0.09 0.00 0.00 178.44 178.60 2e8p h ARG 86 N 0.49 0.00 0.10 1.13 3.08 -0.84 -2.66 114.38 115.68 2e8p h ARG 86 Ca 0.28 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.05 2e8p h ARG 86 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2e8p h ARG 86 CO -0.08 0.24 -1.37 -0.44 -1.07 0.00 0.00 179.97 177.25 2e8p h ASP 87 N 0.00 0.32 -0.79 7.04 5.19 -0.82 0.28 116.42 127.63 2e8p h ASP 87 Ca -0.00 -0.40 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 2e8p h ASP 87 Cb 0.46 -0.10 -0.04 0.00 0.18 0.00 0.00 39.33 39.83 2e8p h ASP 87 CO 0.03 1.32 0.51 -0.07 -3.12 0.00 0.00 179.24 177.91 2e8p h LEU 88 N 0.06 0.93 0.01 1.55 3.38 -0.96 -3.00 115.31 117.27 2e8p h LEU 88 Ca -0.18 -0.03 -0.34 0.00 0.09 0.00 0.00 57.88 57.42 2e8p h LEU 88 Cb 1.97 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 42.43 2e8p h LEU 88 CO 0.17 0.69 -1.90 0.35 0.09 0.00 0.00 178.44 177.83 2e8p n THR 89 N -4.40 1.56 -3.93 0.22 -2.24 -1.09 -4.79 114.28 99.61 2e8p n THR 89 Ca 0.09 -0.26 -0.32 0.00 -2.27 0.00 0.00 64.05 61.29 2e8p n THR 89 Cb 0.04 -1.91 -0.14 0.00 -2.10 0.00 0.00 70.33 66.23 2e8p n THR 89 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2e8p s SER 90 N -7.09 4.65 0.14 3.42 0.15 0.09 -4.96 113.70 110.11 2e8p s SER 90 Ca -0.32 -2.63 -0.15 0.00 0.70 0.00 0.00 55.95 53.55 2e8p s SER 90 Cb 0.09 -1.68 0.01 0.00 -1.71 0.00 0.00 66.02 62.74 2e8p s SER 90 CO 0.57 -0.32 1.70 0.28 1.20 0.00 0.00 173.24 176.67 2e8p h SER 91 N 7.06 0.60 -0.01 5.45 0.02 -1.70 -3.33 113.55 121.64 2e8p h SER 91 Ca -0.06 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2e8p h SER 91 Cb 0.95 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.34 2e8p h SER 91 CO 0.64 0.60 0.00 -1.54 -1.14 0.00 0.00 176.83 175.38