#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 -0.22 0.19 1.61 1.04 -1.26 -5.16 113.70 109.89 2e8p s SER 2 Ca 0.00 -0.39 -0.17 0.00 0.48 0.00 0.00 55.95 55.88 2e8p s SER 2 Cb 0.00 0.49 -0.08 0.00 0.10 0.00 0.00 66.02 66.54 2e8p s SER 2 CO 0.00 -0.90 0.63 -0.44 0.98 0.00 0.00 173.24 173.51 2e8p s SER 3 N -2.83 6.93 0.00 7.02 0.01 -1.26 -4.72 113.70 118.85 2e8p s SER 3 Ca 0.05 1.23 0.00 0.00 1.31 0.00 0.00 55.95 58.55 2e8p s SER 3 Cb 0.01 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.89 2e8p s SER 3 CO -0.09 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.23 2e8p n GLY 4 N 0.73 1.26 3.54 3.44 0.00 -1.26 -5.07 105.19 107.82 2e8p n GLY 4 Ca -0.04 -0.44 -0.48 0.00 0.00 0.00 0.00 46.02 45.07 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 2.72 -0.02 1.61 2.88 -1.26 -4.87 113.62 114.68 2e8p n SER 5 Ca 0.00 0.43 -0.01 0.00 -1.33 0.00 0.00 58.87 57.97 2e8p n SER 5 Cb 0.00 -1.38 -0.00 0.00 -0.75 0.00 0.00 64.21 62.08 2e8p n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2e8p h SER 6 N 12.75 0.00 0.00 -3.46 0.02 -1.97 -3.51 113.55 117.38 2e8p h SER 6 Ca -0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2e8p h SER 6 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2e8p h SER 6 CO 0.99 0.23 0.00 0.61 -1.14 0.00 0.00 176.83 177.51 2e8p n GLY 7 N 1.81 -0.43 2.42 -3.77 0.00 -1.26 -5.00 105.19 98.96 2e8p n GLY 7 Ca -0.01 -2.15 -0.19 0.00 0.00 0.00 0.00 46.02 43.67 2e8p n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2e8p n GLN 8 N 0.00 -1.71 -2.52 1.61 -0.06 -1.26 -3.94 117.38 109.50 2e8p n GLN 8 Ca 0.00 0.96 -0.04 0.00 -2.00 0.00 0.00 57.00 55.92 2e8p n GLN 8 Cb 0.00 -5.54 -0.04 0.00 -4.06 0.00 0.00 30.24 20.61 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 -2.78 -4.04 -3.78 3.69 0.00 -1.26 -5.01 117.12 103.95 2e8p n MET 9 Ca -0.21 3.11 -0.33 0.00 0.00 0.00 0.00 57.70 60.26 2e8p n MET 9 Cb 0.66 -4.80 -0.05 0.00 0.00 0.00 0.00 33.22 29.03 2e8p n MET 9 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2e8p s SER 10 N -0.78 6.46 -0.35 6.12 1.04 -1.25 -5.02 113.70 119.92 2e8p s SER 10 Ca -0.22 0.50 0.06 0.00 0.48 0.00 0.00 55.95 56.78 2e8p s SER 10 Cb 0.01 -2.06 0.45 0.00 0.10 0.00 0.00 66.02 64.52 2e8p s SER 10 CO 0.73 0.20 1.22 0.18 0.98 0.00 0.00 173.24 176.54 2e8p n LEU 11 N 0.75 5.03 -0.03 2.42 4.32 -1.26 -4.69 117.00 123.53 2e8p n LEU 11 Ca -0.08 -4.84 -0.06 0.00 -0.02 0.00 0.00 56.01 51.00 2e8p n LEU 11 Cb 0.52 -0.40 -0.02 0.00 -1.62 0.00 0.00 43.42 41.89 2e8p n LEU 11 CO 0.45 2.11 -0.72 -0.62 -1.22 0.00 0.00 177.39 177.39 2e8p n GLU 12 N -0.66 0.14 -1.64 3.23 1.02 -1.26 -5.06 120.64 116.40 2e8p n GLU 12 Ca 0.44 0.06 -0.29 0.00 -0.02 0.00 0.00 57.16 57.34 2e8p n GLU 12 Cb 0.88 -0.81 0.10 0.00 -0.02 0.00 0.00 31.44 31.59 2e8p n GLU 12 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2e8p s GLY 13 N -5.01 1.60 -0.28 0.62 0.00 -1.26 -5.09 107.32 97.90 2e8p s GLY 13 Ca -0.09 -0.41 -0.26 0.00 0.00 0.00 0.00 44.72 43.96 2e8p s GLY 13 CO 0.12 0.07 1.33 -1.08 0.00 0.00 0.00 173.10 173.54 2e8p s THR 14 N -3.30 0.00 -0.08 0.90 -1.32 -1.26 -5.06 115.64 105.53 2e8p s THR 14 Ca 0.62 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.34 2e8p s THR 14 Cb -0.14 -1.00 0.45 0.00 -1.51 0.00 0.00 72.50 70.30 2e8p s THR 14 CO 0.53 0.00 1.16 -0.62 -2.21 0.00 0.00 174.62 173.48 2e8p n GLU 15 N 1.34 0.60 -3.84 7.08 1.02 -1.26 -5.09 120.64 120.49 2e8p n GLU 15 Ca -0.08 -2.49 -0.11 0.00 -0.02 0.00 0.00 57.16 54.46 2e8p n GLU 15 Cb 0.57 -0.54 -0.08 0.00 -0.02 0.00 0.00 31.44 31.37 2e8p n GLU 15 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2e8p s LYS 16 N -1.19 0.69 -0.29 3.49 2.47 -1.26 -5.16 119.74 118.48 2e8p s LYS 16 Ca 0.33 -0.61 -0.23 0.00 -1.56 0.00 0.00 55.97 53.90 2e8p s LYS 16 Cb 0.37 0.29 0.15 0.00 -1.46 0.00 0.00 37.83 37.18 2e8p s LYS 16 CO -0.13 -0.20 1.15 0.00 0.16 0.00 0.00 175.35 176.34 2e8p s ALA 17 N -2.50 -2.14 0.32 3.13 0.00 -1.26 -4.99 121.76 114.31 2e8p s ALA 17 Ca -0.06 1.89 0.37 0.00 0.00 0.00 0.00 51.96 54.16 2e8p s ALA 17 Cb -0.01 -1.62 1.91 0.00 0.00 0.00 0.00 23.12 23.40 2e8p s ALA 17 CO -0.04 -0.22 2.11 0.66 0.00 0.00 0.00 175.76 178.28 2e8p h SER 18 N 4.29 0.00 -0.30 0.00 4.64 -1.98 0.08 113.55 120.29 2e8p h SER 18 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2e8p h SER 18 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2e8p h SER 18 CO 0.15 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.44 2e8p n TRP 19 N -2.83 0.89 -3.81 4.77 4.27 -1.26 -4.92 117.44 114.56 2e8p n TRP 19 Ca -0.02 -0.79 -0.36 0.00 -3.89 0.00 0.00 57.50 52.45 2e8p n TRP 19 Cb 0.10 -0.26 -0.13 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 -2.41 3.26 0.00 5.67 1.43 0.01 -4.42 118.68 122.23 2e8p s LEU 20 Ca 0.39 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 2e8p s LEU 20 Cb 0.30 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.65 2e8p s LEU 20 CO 0.11 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.27 2e8p n GLY 21 N 4.88 2.47 3.31 -3.19 0.00 -1.26 -4.77 105.19 106.62 2e8p n GLY 21 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.34 1.74 0.93 1.61 2.56 -1.26 -5.13 118.70 118.82 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 -1.84 0.15 0.00 2.00 0.00 0.00 34.13 34.44 2e8p s GLU 22 CO 0.00 0.48 1.11 1.04 -0.56 0.00 0.00 175.26 177.33 2e8p n GLN 23 N 1.96 -0.55 0.00 4.30 6.02 -1.26 -4.87 117.38 122.98 2e8p n GLN 23 Ca -0.17 -0.10 0.07 0.00 -0.01 0.00 0.00 57.00 56.80 2e8p n GLN 23 Cb 0.52 -2.34 0.32 0.00 1.02 0.00 0.00 30.24 29.76 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 -4.17 0.07 0.10 -1.09 -0.04 -1.26 -2.26 135.00 126.34 2e8p n PRO 24 Ca 0.11 0.22 0.03 0.00 -0.04 0.00 0.00 63.50 63.83 2e8p n PRO 24 Cb 0.52 -1.50 -0.01 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 -1.44 0.54 4.20 -1.90 -3.35 115.11 113.16 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 -0.36 0.00 0.30 0.00 0.00 27.48 27.63 2e8p h GLN 25 CO 0.00 0.34 0.03 1.19 -0.67 0.00 0.00 178.83 179.72 2e8p n PHE 26 N -3.05 3.14 -3.50 2.96 3.01 -0.96 -3.27 117.46 115.80 2e8p n PHE 26 Ca -0.02 -2.70 -0.21 0.00 1.01 0.00 0.00 57.45 55.53 2e8p n PHE 26 Cb 0.74 -0.66 -0.01 0.00 -0.01 0.00 0.00 39.48 39.54 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 3.26 0.33 1.38 0.52 -1.25 -4.84 118.94 114.58 2e8p s TRP 27 Ca 0.52 -0.03 0.08 0.00 0.02 0.00 0.00 56.10 56.69 2e8p s TRP 27 Cb 0.43 -1.94 -0.03 0.00 -1.15 0.00 0.00 33.47 30.78 2e8p s TRP 27 CO -0.19 0.05 0.22 -1.12 0.02 0.00 0.00 176.95 175.93 2e8p s SER 28 N -4.12 5.05 0.59 2.95 0.01 -0.62 -3.57 113.70 113.98 2e8p s SER 28 Ca 0.42 -0.59 0.28 0.00 1.31 0.00 0.00 55.95 57.38 2e8p s SER 28 Cb -0.09 -0.91 1.59 0.00 0.21 0.00 0.00 66.02 66.82 2e8p s SER 28 CO 0.32 -0.30 2.04 0.11 0.41 0.00 0.00 173.24 175.83 2e8p h LYS 29 N 1.40 0.00 0.10 12.44 1.57 -1.79 -1.62 116.57 128.66 2e8p h LYS 29 Ca -0.45 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.07 2e8p h LYS 29 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 2e8p h LYS 29 CO 0.60 0.00 -1.34 1.15 -0.57 0.00 0.00 179.45 179.29 2e8p h THR 30 N 0.00 1.05 -0.73 -0.16 2.02 -1.89 -3.33 112.91 109.87 2e8p h THR 30 Ca 0.12 -2.37 0.10 0.00 0.77 0.00 0.00 66.41 65.03 2e8p h THR 30 Cb 0.68 2.69 -0.07 0.00 -1.74 0.00 0.00 68.15 69.71 2e8p h THR 30 CO -0.00 0.66 0.37 1.56 0.37 0.00 0.00 175.52 178.48 2e8p h GLN 31 N -0.40 0.60 0.08 6.66 4.20 -1.65 0.13 115.11 124.73 2e8p h GLN 31 Ca -0.30 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.38 2e8p h GLN 31 Cb 1.68 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 29.32 2e8p h GLN 31 CO 0.03 0.40 -0.09 0.28 -0.67 0.00 0.00 178.83 178.78 2e8p h VAL 32 N 0.62 0.00 -0.23 -0.54 2.07 -1.49 0.25 116.25 116.93 2e8p h VAL 32 Ca 0.36 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.94 2e8p h VAL 32 Cb 0.38 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 2e8p h VAL 32 CO -0.27 0.00 0.24 -0.07 0.02 0.00 0.00 177.57 177.49 2e8p h LEU 33 N -0.17 0.00 -0.49 2.57 3.38 -1.64 0.25 115.31 119.21 2e8p h LEU 33 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2e8p h LEU 33 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2e8p h LEU 33 CO -0.01 0.00 -0.48 0.44 0.09 0.00 0.00 178.44 178.48 2e8p h ASP 34 N 0.00 0.00 0.59 -0.43 5.19 -0.11 -3.16 116.42 118.49 2e8p h ASP 34 Ca 0.11 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.24 2e8p h ASP 34 Cb 0.59 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.10 2e8p h ASP 34 CO -0.00 0.48 -1.31 -0.25 -3.12 0.00 0.00 179.24 175.03 2e8p h TRP 35 N 0.00 0.49 0.27 4.55 7.01 0.30 -3.30 115.95 125.26 2e8p h TRP 35 Ca -0.00 -0.36 -0.01 0.00 2.11 0.00 0.00 58.89 60.62 2e8p h TRP 35 Cb 1.16 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.21 2e8p h TRP 35 CO 0.00 1.31 -0.13 0.82 -2.79 0.00 0.00 178.44 177.65 2e8p h ILE 36 N 0.07 0.74 -0.94 2.65 2.04 -1.40 -2.44 117.51 118.23 2e8p h ILE 36 Ca -0.16 -0.03 0.21 0.00 1.00 0.00 0.00 64.86 65.88 2e8p h ILE 36 Cb 1.99 0.76 -0.08 0.00 -0.74 0.00 0.00 36.82 38.75 2e8p h ILE 36 CO 0.20 0.01 0.61 -1.28 0.00 0.00 0.00 178.15 177.68 2e8p h SER 37 N -0.37 0.47 -0.34 1.72 0.87 -1.68 0.31 113.55 114.53 2e8p h SER 37 Ca -0.04 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2e8p h SER 37 Cb 0.28 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2e8p h SER 37 CO 0.06 0.17 0.17 0.22 -0.53 0.00 0.00 176.83 176.92 2e8p h TYR 38 N 0.46 0.48 0.00 2.24 3.20 -1.52 0.28 116.97 122.11 2e8p h TYR 38 Ca 0.50 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.30 2e8p h TYR 38 Cb 1.17 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 2e8p h TYR 38 CO -0.00 0.41 -0.26 1.96 -1.64 0.00 0.00 178.16 178.63 2e8p h GLN 39 N 0.42 0.00 0.00 1.82 1.08 -0.77 -2.27 115.11 115.38 2e8p h GLN 39 Ca 0.12 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.23 2e8p h GLN 39 Cb 0.11 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2e8p h GLN 39 CO -0.02 0.26 -0.44 0.28 -0.95 0.00 0.00 178.83 177.97 2e8p h VAL 40 N 0.00 0.77 0.00 -0.54 2.07 -0.07 -1.88 116.25 116.59 2e8p h VAL 40 Ca -0.00 -2.02 -0.14 0.00 0.82 0.00 0.00 66.70 65.36 2e8p h VAL 40 Cb 1.05 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 33.13 2e8p h VAL 40 CO 0.03 0.43 -1.52 1.21 0.02 0.00 0.00 177.57 177.74 2e8p n GLU 41 N -3.23 0.63 0.06 1.57 4.07 0.05 -2.33 120.64 121.46 2e8p n GLU 41 Ca 0.02 0.12 -0.18 0.00 -0.06 0.00 0.00 57.16 57.06 2e8p n GLU 41 Cb 0.69 -1.74 -0.14 0.00 -0.06 0.00 0.00 31.44 30.19 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 0.28 -0.00 5.31 3.64 -1.44 -3.28 116.57 121.08 2e8p h LYS 42 Ca -0.15 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.74 2e8p h LYS 42 Cb 1.47 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.47 2e8p h LYS 42 CO 0.03 1.16 -0.00 0.09 -2.27 0.00 0.00 179.45 178.45 2e8p n ASN 43 N -3.48 0.03 -1.40 4.20 3.02 -0.71 -4.87 115.26 112.05 2e8p n ASN 43 Ca -0.19 -0.73 -0.17 0.00 -0.03 0.00 0.00 54.58 53.46 2e8p n ASN 43 Cb 1.05 -0.09 -0.07 0.00 -0.61 0.00 0.00 39.78 40.06 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 -1.07 -1.23 -2.03 3.52 5.02 -1.24 -4.93 118.16 116.20 2e8p n LYS 44 Ca 0.21 1.09 -0.42 0.00 -2.02 0.00 0.00 58.31 57.17 2e8p n LYS 44 Cb 0.16 -5.35 -0.03 0.00 -0.02 0.00 0.00 35.03 29.79 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 -2.67 3.10 0.58 2.13 5.04 -0.99 -4.87 117.35 119.67 2e8p s TYR 45 Ca 0.00 0.89 0.28 0.00 -2.44 0.00 0.00 57.07 55.80 2e8p s TYR 45 Cb 0.00 -3.81 1.57 0.00 0.35 0.00 0.00 41.96 40.07 2e8p s TYR 45 CO 0.00 -2.81 2.03 0.22 -1.34 0.00 0.00 175.55 173.66 2e8p h ASP 46 N 6.02 0.00 -1.55 4.32 1.82 -1.92 -3.45 116.42 121.66 2e8p h ASP 46 Ca -0.44 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 55.86 2e8p h ASP 46 Cb 1.21 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 41.14 2e8p h ASP 46 CO 0.84 0.00 -0.37 0.00 -1.61 0.00 0.00 179.24 178.10 2e8p n ALA 47 N -2.38 -0.37 -1.20 -0.78 0.00 -1.26 -4.87 120.51 109.65 2e8p n ALA 47 Ca 0.04 0.21 -0.03 0.00 0.00 0.00 0.00 53.44 53.67 2e8p n ALA 47 Cb 0.45 -1.82 0.24 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.97 3.55 0.00 0.00 3.41 -1.26 -4.50 113.62 113.85 2e8p n SER 48 Ca -0.18 -3.41 0.00 0.00 -0.26 0.00 0.00 58.87 55.02 2e8p n SER 48 Cb 0.60 -0.65 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 -0.73 1.99 -1.58 7.33 0.00 -1.26 -5.09 120.51 121.17 2e8p n ALA 49 Ca 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 2e8p n ALA 49 Cb 1.14 0.19 0.01 0.00 0.00 0.00 0.00 19.45 20.79 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 -1.88 2.35 -3.75 0.00 5.41 -1.26 -4.70 119.36 115.53 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 0.19 -1.04 -0.09 0.00 -0.71 0.00 0.00 39.64 37.99 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 -0.78 5.42 0.62 4.38 1.01 -0.40 -4.90 116.67 122.03 2e8p s ASP 51 Ca 0.63 -3.58 0.34 0.00 0.71 0.00 0.00 52.55 50.65 2e8p s ASP 51 Cb -0.57 -1.80 1.91 0.00 1.01 0.00 0.00 42.92 43.46 2e8p s ASP 51 CO 0.57 -0.19 2.19 -0.26 0.21 0.00 0.00 175.17 177.69 2e8p h PHE 52 N 6.03 0.00 -0.61 4.23 -1.00 -1.93 -1.32 116.94 122.34 2e8p h PHE 52 Ca 0.11 0.00 0.15 0.00 2.81 0.00 0.00 57.97 61.04 2e8p h PHE 52 Cb 0.82 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.35 2e8p h PHE 52 CO 0.70 0.00 0.42 0.77 -1.61 0.00 0.00 178.31 178.59 2e8p h SER 53 N 0.00 0.15 -0.50 2.17 0.02 -1.93 0.24 113.55 113.70 2e8p h SER 53 Ca 0.03 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.91 2e8p h SER 53 Cb 0.27 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 2e8p h SER 53 CO -0.00 0.08 0.08 0.54 -1.14 0.00 0.00 176.83 176.39 2e8p n ARG 54 N -4.42 3.61 -2.84 3.45 1.74 -0.50 -4.74 116.66 112.96 2e8p n ARG 54 Ca 0.11 -3.04 -0.42 0.00 -0.77 0.00 0.00 57.85 53.73 2e8p n ARG 54 Cb 0.57 -2.07 0.01 0.00 -1.02 0.00 0.00 32.46 29.95 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 1.09 6.49 -3.95 0.00 8.00 -1.26 -4.96 116.55 121.95 2e8p n ASP 56 Ca 0.33 -3.47 -0.25 0.00 0.71 0.00 0.00 54.79 52.12 2e8p n ASP 56 Cb 0.31 -1.23 -0.17 0.00 -0.02 0.00 0.00 41.12 40.02 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 -3.06 1.50 -0.12 -1.24 -1.94 -1.26 -5.01 119.30 108.17 2e8p s MET 57 Ca 0.33 -0.30 -0.14 0.00 -1.71 0.00 0.00 55.69 53.87 2e8p s MET 57 Cb 0.08 -1.41 -0.26 0.00 2.01 0.00 0.00 34.83 35.25 2e8p s MET 57 CO 0.07 -0.12 0.47 -0.44 -0.01 0.00 0.00 175.02 174.98 2e8p h ASP 58 N 7.54 0.35 0.00 3.03 3.32 -1.87 -3.41 116.42 125.38 2e8p h ASP 58 Ca -0.31 -0.84 0.00 0.00 0.02 0.00 0.00 57.03 55.90 2e8p h ASP 58 Cb 1.16 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.59 2e8p h ASP 58 CO 0.44 1.67 0.00 0.61 -1.72 0.00 0.00 179.24 180.24 2e8p n GLY 59 N 1.77 -1.35 0.25 2.75 0.00 -1.23 -1.60 105.19 105.77 2e8p n GLY 59 Ca -0.28 0.56 0.11 0.00 0.00 0.00 0.00 46.02 46.41 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 1.30 0.00 4.61 0.00 -1.69 -2.36 119.26 121.13 2e8p h ALA 60 Ca 0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.58 2e8p h ALA 60 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2e8p h ALA 60 CO 0.00 0.19 -0.86 1.15 0.00 0.00 0.00 179.25 179.73 2e8p h THR 61 N 0.00 1.55 -0.15 0.00 2.02 -1.91 -2.18 112.91 112.23 2e8p h THR 61 Ca -0.00 -2.74 -0.04 0.00 0.77 0.00 0.00 66.41 64.40 2e8p h THR 61 Cb 0.40 2.51 -0.00 0.00 -1.74 0.00 0.00 68.15 69.31 2e8p h THR 61 CO 0.02 0.79 -0.06 0.25 0.37 0.00 0.00 175.52 176.89 2e8p h LEU 62 N 0.05 0.32 -0.88 2.58 5.85 -1.74 0.24 115.31 121.73 2e8p h LEU 62 Ca -0.03 -0.39 -0.08 0.00 0.84 0.00 0.00 57.88 58.22 2e8p h LEU 62 Cb 1.50 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 2e8p h LEU 62 CO 0.12 0.64 -0.38 0.00 -0.34 0.00 0.00 178.44 178.48 2e8p h ASN 64 N 0.00 0.07 -3.36 0.00 4.21 -1.28 -3.47 115.58 111.75 2e8p h ASN 64 Ca -0.00 -0.08 -0.53 0.00 1.21 0.00 0.00 56.30 56.89 2e8p h ASN 64 Cb 0.93 -0.02 0.21 0.00 -1.12 0.00 0.00 38.32 38.32 2e8p h ASN 64 CO 0.05 1.07 -0.58 0.00 -1.29 0.00 0.00 177.43 176.67 2e8p s ALA 66 N -2.34 3.70 0.08 0.00 0.00 -1.26 -4.98 121.76 116.96 2e8p s ALA 66 Ca 0.57 -0.73 -0.30 0.00 0.00 0.00 0.00 51.96 51.51 2e8p s ALA 66 Cb -0.22 -2.17 -0.13 0.00 0.00 0.00 0.00 23.12 20.60 2e8p s ALA 66 CO 0.67 0.21 1.47 1.25 0.00 0.00 0.00 175.76 179.35 2e8p h LEU 67 N 1.48 -1.28 -1.48 0.00 5.85 -1.98 -1.27 115.31 116.64 2e8p h LEU 67 Ca -0.48 0.12 0.21 0.00 0.84 0.00 0.00 57.88 58.57 2e8p h LEU 67 Cb 1.20 0.45 -0.07 0.00 0.37 0.00 0.00 40.66 42.61 2e8p h LEU 67 CO 0.65 -0.51 0.60 -0.33 -0.34 0.00 0.00 178.44 178.52 2e8p h GLU 68 N -0.72 0.41 0.31 1.25 5.08 -1.99 -1.39 114.58 117.54 2e8p h GLU 68 Ca -0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2e8p h GLU 68 Cb 0.68 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2e8p h GLU 68 CO -0.17 0.27 -0.18 0.93 -1.00 0.00 0.00 179.01 178.86 2e8p h GLU 69 N 0.42 -0.46 -0.07 2.33 5.08 -1.66 -1.61 114.58 118.62 2e8p h GLU 69 Ca 0.48 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.89 2e8p h GLU 69 Cb 1.17 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 2e8p h GLU 69 CO -0.19 -0.30 0.08 -0.07 -1.00 0.00 0.00 179.01 177.52 2e8p h LEU 70 N -0.47 0.00 -0.05 1.33 3.38 -0.37 0.16 115.31 119.29 2e8p h LEU 70 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2e8p h LEU 70 Cb 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2e8p h LEU 70 CO 0.04 0.00 -0.08 0.03 0.09 0.00 0.00 178.44 178.52 2e8p h ARG 71 N 0.00 0.00 0.00 1.13 3.08 -0.89 -0.30 114.38 117.41 2e8p h ARG 71 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2e8p h ARG 71 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2e8p h ARG 71 CO -0.00 0.08 -1.08 1.28 -1.07 0.00 0.00 179.97 179.18 2e8p n LEU 72 N -3.12 0.63 -0.09 3.04 4.77 0.46 -2.13 117.00 120.56 2e8p n LEU 72 Ca 0.04 0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 56.05 2e8p n LEU 72 Cb 0.55 -0.09 -0.15 0.00 -2.33 0.00 0.00 43.42 41.41 2e8p n LEU 72 CO 0.35 -0.05 -1.12 0.52 -1.33 0.00 0.00 177.39 175.76 2e8p n VAL 73 N -2.25 1.29 -1.26 4.08 0.31 -0.63 -4.47 118.33 115.40 2e8p n VAL 73 Ca 0.01 -0.80 0.08 0.00 -0.01 0.00 0.00 64.34 63.61 2e8p n VAL 73 Cb 0.49 -0.49 0.18 0.00 -0.91 0.00 0.00 33.84 33.10 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 -2.70 0.15 -4.85 3.52 3.72 -0.13 -1.27 117.46 115.91 2e8p n PHE 74 Ca -0.31 -1.19 0.00 0.00 -0.05 0.00 0.00 57.45 55.91 2e8p n PHE 74 Cb 1.11 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 39.44 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 -1.24 1.10 0.00 1.37 0.00 -0.90 -2.28 105.19 103.23 2e8p n GLY 75 Ca 0.19 -0.59 0.07 0.00 0.00 0.00 0.00 46.02 45.69 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 0.46 0.15 0.20 1.61 -0.04 -1.26 -2.43 135.00 133.69 2e8p n PRO 76 Ca 0.00 0.18 0.08 0.00 -0.04 0.00 0.00 63.50 63.72 2e8p n PRO 76 Cb 0.00 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.23 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 -0.60 1.53 5.85 -1.78 -3.28 115.31 117.03 2e8p h LEU 77 Ca 0.00 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.83 2e8p h LEU 77 Cb 0.17 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.11 2e8p h LEU 77 CO 0.00 0.27 0.13 1.23 -0.34 0.00 0.00 178.44 179.73 2e8p h GLY 78 N 2.91 0.77 1.56 3.75 0.00 -1.49 0.24 103.07 110.81 2e8p h GLY 78 Ca -0.00 -0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.35 2e8p h GLY 78 CO 0.04 -0.11 0.17 -1.80 0.00 0.00 0.00 176.54 174.83 2e8p h ASP 79 N 0.26 0.00 0.75 0.19 3.58 -1.81 0.12 116.42 119.52 2e8p h ASP 79 Ca 0.32 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.53 2e8p h ASP 79 Cb 0.47 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.48 2e8p h ASP 79 CO -0.40 0.00 -1.35 1.56 -2.88 0.00 0.00 179.24 176.16 2e8p h GLN 80 N 0.00 0.00 0.03 0.28 7.50 -0.78 -3.30 115.11 118.84 2e8p h GLN 80 Ca 0.07 0.00 -0.11 0.00 0.50 0.00 0.00 58.65 59.12 2e8p h GLN 80 Cb 0.42 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.96 2e8p h GLN 80 CO -0.00 0.65 -0.44 -0.07 -1.50 0.00 0.00 178.83 177.46 2e8p h LEU 81 N 0.00 0.33 -0.83 1.46 3.38 0.43 -3.31 115.31 116.78 2e8p h LEU 81 Ca -0.16 -0.84 0.15 0.00 0.09 0.00 0.00 57.88 57.12 2e8p h LEU 81 Cb 1.84 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 42.40 2e8p h LEU 81 CO 0.09 1.14 0.41 -0.74 0.09 0.00 0.00 178.44 179.43 2e8p h HIS 82 N -0.43 0.72 -0.98 1.13 2.76 -1.02 0.14 115.15 117.46 2e8p h HIS 82 Ca -0.06 0.03 0.17 0.00 -2.20 0.00 0.00 60.37 58.31 2e8p h HIS 82 Cb 1.23 -0.19 -0.10 0.00 1.55 0.00 0.00 27.41 29.90 2e8p h HIS 82 CO 0.19 0.16 0.59 0.00 -1.30 0.00 0.00 177.93 177.57 2e8p h ALA 83 N 1.56 1.58 -0.10 5.26 0.00 -1.64 0.21 119.26 126.12 2e8p h ALA 83 Ca 0.45 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.33 2e8p h ALA 83 Cb 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2e8p h ALA 83 CO -0.37 0.00 -0.36 1.96 0.00 0.00 0.00 179.25 180.49 2e8p h GLN 84 N 0.79 0.42 -0.82 0.00 1.08 -1.11 -3.22 115.11 112.26 2e8p h GLN 84 Ca 0.55 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 2e8p h GLN 84 Cb 0.78 0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 28.23 2e8p h GLN 84 CO -0.36 0.94 0.52 -0.07 -0.95 0.00 0.00 178.83 178.92 2e8p h LEU 85 N -0.01 0.95 -2.11 1.46 3.38 -0.45 -1.24 115.31 117.29 2e8p h LEU 85 Ca -0.02 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 57.99 2e8p h LEU 85 Cb 0.98 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2e8p h LEU 85 CO 0.08 0.70 0.19 0.03 0.09 0.00 0.00 178.44 179.53 2e8p h ARG 86 N 1.11 0.00 0.00 1.13 3.08 -0.64 0.65 114.38 119.71 2e8p h ARG 86 Ca 0.30 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.18 2e8p h ARG 86 Cb -0.10 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 2e8p h ARG 86 CO -0.06 0.00 -1.16 -0.44 -1.07 0.00 0.00 179.97 177.24 2e8p h ASP 87 N 0.00 0.00 -0.00 7.04 5.19 -1.29 -3.06 116.42 124.30 2e8p h ASP 87 Ca 0.11 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.51 2e8p h ASP 87 Cb 0.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.01 2e8p h ASP 87 CO -0.00 0.64 -0.03 -0.07 -3.12 0.00 0.00 179.24 176.66 2e8p h LEU 88 N 0.00 0.02 0.11 1.55 3.38 -0.46 -3.35 115.31 116.57 2e8p h LEU 88 Ca -0.12 -0.77 -0.01 0.00 0.09 0.00 0.00 57.88 57.08 2e8p h LEU 88 Cb 1.59 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.34 2e8p h LEU 88 CO 0.06 0.79 -0.05 0.71 0.09 0.00 0.00 178.44 180.04 2e8p h THR 89 N -0.74 1.00 -6.07 0.22 1.35 -1.19 -3.44 112.91 104.04 2e8p h THR 89 Ca -0.00 -0.44 -0.40 0.00 -0.55 0.00 0.00 66.41 65.02 2e8p h THR 89 Cb 0.79 1.28 0.11 0.00 -1.73 0.00 0.00 68.15 68.60 2e8p h THR 89 CO 0.01 0.11 -0.92 -0.24 -0.25 0.00 0.00 175.52 174.22 2e8p n SER 90 N -5.06 -5.38 -1.03 5.36 2.88 -1.16 -4.67 113.62 104.56 2e8p n SER 90 Ca -0.08 -0.95 0.10 0.00 -1.33 0.00 0.00 58.87 56.60 2e8p n SER 90 Cb 0.16 -3.76 -0.02 0.00 -0.75 0.00 0.00 64.21 59.84 2e8p n SER 90 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2e8p n SER 91 N -2.80 -6.13 0.00 -3.46 2.88 -1.26 -5.14 113.62 97.71 2e8p n SER 91 Ca -0.10 0.78 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 2e8p n SER 91 Cb 0.60 -2.25 0.00 0.00 -0.75 0.00 0.00 64.21 61.81 2e8p n SER 91 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57