#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e8p n SER 2 N 0.00 -2.44 -3.64 1.61 7.64 -1.26 -5.01 113.62 110.52 2e8p n SER 2 Ca 0.00 -0.69 -0.10 0.00 1.01 0.00 0.00 58.87 59.08 2e8p n SER 2 Cb 0.00 -4.83 -0.07 0.00 -1.01 0.00 0.00 64.21 58.30 2e8p n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2e8p s SER 3 N -4.22 -0.72 0.00 6.43 0.01 -1.26 -5.18 113.70 108.76 2e8p s SER 3 Ca 0.07 1.30 0.00 0.00 1.31 0.00 0.00 55.95 58.62 2e8p s SER 3 Cb -0.01 1.31 0.00 0.00 0.21 0.00 0.00 66.02 67.53 2e8p s SER 3 CO 0.75 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.80 2e8p n GLY 4 N 3.05 3.59 3.61 3.44 0.00 -1.26 -5.16 105.19 112.45 2e8p n GLY 4 Ca -0.15 -2.13 -0.28 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.70 3.45 0.38 1.61 0.01 -1.26 -5.08 113.70 112.10 2e8p s SER 5 Ca 0.00 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 55.76 2e8p s SER 5 Cb 0.00 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.29 2e8p s SER 5 CO 0.00 -0.67 0.00 -0.24 0.41 0.00 0.00 173.24 172.74 2e8p n SER 6 N -1.04 -8.02 -1.25 2.44 2.88 -1.26 -4.79 113.62 102.59 2e8p n SER 6 Ca -0.08 0.75 0.04 0.00 -1.33 0.00 0.00 58.87 58.25 2e8p n SER 6 Cb 0.67 -4.20 0.05 0.00 -0.75 0.00 0.00 64.21 59.97 2e8p n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e8p n GLY 7 N -4.10 1.58 3.41 0.46 0.00 -1.26 -5.03 105.19 100.26 2e8p n GLY 7 Ca -0.01 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.02 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 0.19 -1.43 -3.98 1.61 1.13 -1.26 -5.01 117.38 108.63 2e8p n GLN 8 Ca 0.07 1.00 -0.20 0.00 -1.94 0.00 0.00 57.00 55.94 2e8p n GLN 8 Cb 1.03 -4.49 -0.17 0.00 0.11 0.00 0.00 30.24 26.72 2e8p n GLN 8 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 2e8p s MET 9 N -4.34 0.58 -0.16 -1.09 -1.94 -1.26 -5.12 119.30 105.97 2e8p s MET 9 Ca 0.16 0.02 -0.02 0.00 -1.71 0.00 0.00 55.69 54.14 2e8p s MET 9 Cb -0.05 -0.75 0.05 0.00 2.01 0.00 0.00 34.83 36.09 2e8p s MET 9 CO 0.81 -0.16 0.01 -1.12 -0.01 0.00 0.00 175.02 174.55 2e8p s SER 10 N 1.25 2.58 -0.35 3.03 0.01 -1.26 -5.01 113.70 113.95 2e8p s SER 10 Ca -0.06 -0.61 0.14 0.00 1.31 0.00 0.00 55.95 56.73 2e8p s SER 10 Cb -0.13 -0.64 0.43 0.00 0.21 0.00 0.00 66.02 65.89 2e8p s SER 10 CO -0.02 -0.25 1.09 0.00 0.41 0.00 0.00 173.24 174.47 2e8p n LEU 11 N 5.03 0.18 -0.00 2.44 -0.00 -1.26 -4.98 117.00 118.40 2e8p n LEU 11 Ca -0.09 -3.68 -0.00 0.00 -0.00 0.00 0.00 56.01 52.24 2e8p n LEU 11 Cb 0.48 0.31 -0.00 0.00 -0.00 0.00 0.00 43.42 44.21 2e8p n LEU 11 CO 0.13 1.72 -0.02 -0.62 -0.00 0.00 0.00 177.39 178.60 2e8p n GLU 12 N -0.22 0.02 0.00 1.47 1.02 -1.26 -5.11 120.64 116.56 2e8p n GLU 12 Ca 0.05 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 2e8p n GLU 12 Cb 0.82 -0.61 0.00 0.00 -0.02 0.00 0.00 31.44 31.63 2e8p n GLU 12 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2e8p n GLY 13 N 1.58 2.18 3.64 0.62 0.00 -1.26 -5.18 105.19 106.77 2e8p n GLY 13 Ca -0.00 0.13 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.00 0.42 2.61 -1.32 -1.26 -5.18 115.64 110.92 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 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 2e8p s THR 14 CO 0.00 0.00 0.09 -1.84 -2.21 0.00 0.00 174.62 170.66 2e8p n GLU 15 N 4.16 0.68 -0.38 7.08 0.28 -1.26 -5.10 120.64 126.10 2e8p n GLU 15 Ca -0.20 -3.38 0.05 0.00 -0.16 0.00 0.00 57.16 53.48 2e8p n GLU 15 Cb 0.59 1.49 -0.01 0.00 1.43 0.00 0.00 31.44 34.93 2e8p n GLU 15 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2e8p n LYS 16 N -1.00 -0.77 -3.95 3.44 3.00 -1.26 -4.78 118.16 112.85 2e8p n LYS 16 Ca -0.11 0.51 -0.36 0.00 -0.00 0.00 0.00 58.31 58.35 2e8p n LYS 16 Cb 0.59 -0.94 -0.07 0.00 0.00 0.00 0.00 35.03 34.61 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 -1.96 3.70 0.34 3.14 0.00 -1.26 -4.97 121.76 120.74 2e8p s ALA 17 Ca 0.00 -0.69 0.37 0.00 0.00 0.00 0.00 51.96 51.64 2e8p s ALA 17 Cb 0.00 -1.92 1.95 0.00 0.00 0.00 0.00 23.12 23.14 2e8p s ALA 17 CO 0.00 0.48 2.13 0.77 0.00 0.00 0.00 175.76 179.14 2e8p h SER 18 N 5.52 0.00 -0.30 0.00 0.02 -1.96 0.13 113.55 116.96 2e8p h SER 18 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2e8p h SER 18 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2e8p h SER 18 CO 0.62 0.00 0.00 -2.67 -1.14 0.00 0.00 176.83 173.64 2e8p n TRP 19 N -2.84 0.88 -3.73 3.45 4.27 -1.26 -4.93 117.44 113.28 2e8p n TRP 19 Ca -0.02 -0.78 -0.37 0.00 -3.89 0.00 0.00 57.50 52.45 2e8p n TRP 19 Cb 0.10 -0.25 -0.12 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 3.63 0.00 5.67 1.43 0.03 -4.33 118.68 122.75 2e8p s LEU 20 Ca 0.38 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 2e8p s LEU 20 Cb 0.29 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.53 2e8p s LEU 20 CO 0.11 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.28 2e8p n GLY 21 N 4.86 2.35 3.27 -3.19 0.00 -1.26 -4.80 105.19 106.41 2e8p n GLY 21 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.25 1.64 0.94 1.61 2.56 -1.26 -5.13 118.70 118.81 2e8p s GLU 22 Ca 0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 54.97 53.93 2e8p s GLU 22 Cb 0.00 -1.71 0.15 0.00 2.00 0.00 0.00 34.13 34.57 2e8p s GLU 22 CO 0.00 0.45 1.10 1.04 -0.56 0.00 0.00 175.26 177.29 2e8p n GLN 23 N 2.07 -0.58 0.00 4.30 6.02 -1.26 -4.87 117.38 123.06 2e8p n GLN 23 Ca -0.16 -0.10 0.07 0.00 -0.01 0.00 0.00 57.00 56.79 2e8p n GLN 23 Cb 0.53 -2.34 0.32 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 -4.18 0.07 0.11 -1.09 -0.04 -1.26 -2.25 135.00 126.35 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 -1.45 0.54 4.20 -1.90 -3.35 115.11 113.15 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 0.32 -0.01 1.19 -0.67 0.00 0.00 178.83 179.66 2e8p n PHE 26 N -3.03 3.15 -3.69 2.96 3.01 -0.96 -3.05 117.46 115.85 2e8p n PHE 26 Ca -0.02 -2.71 -0.22 0.00 1.01 0.00 0.00 57.45 55.51 2e8p n PHE 26 Cb 0.73 -0.63 -0.01 0.00 -0.01 0.00 0.00 39.48 39.55 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 -3.75 3.40 0.33 1.38 0.52 -1.25 -4.84 118.94 114.74 2e8p s TRP 27 Ca 0.52 0.06 0.07 0.00 0.02 0.00 0.00 56.10 56.78 2e8p s TRP 27 Cb 0.43 -1.76 -0.03 0.00 -1.15 0.00 0.00 33.47 30.97 2e8p s TRP 27 CO -0.19 0.25 0.31 -1.12 0.02 0.00 0.00 176.95 176.22 2e8p s SER 28 N -4.04 5.36 0.58 2.95 0.01 -0.65 -3.09 113.70 114.82 2e8p s SER 28 Ca 0.38 -0.46 0.28 0.00 1.31 0.00 0.00 55.95 57.46 2e8p s SER 28 Cb -0.09 -1.01 1.55 0.00 0.21 0.00 0.00 66.02 66.68 2e8p s SER 28 CO 0.32 -0.36 2.02 0.11 0.41 0.00 0.00 173.24 175.74 2e8p h LYS 29 N 1.21 0.00 0.09 12.44 1.57 -1.74 -1.67 116.57 128.47 2e8p h LYS 29 Ca -0.45 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.09 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 0.58 0.00 -1.23 1.15 -0.57 0.00 0.00 179.45 179.38 2e8p h THR 30 N 0.00 1.10 -0.55 -0.16 2.02 -1.89 -3.33 112.91 110.11 2e8p h THR 30 Ca 0.15 -2.36 0.09 0.00 0.77 0.00 0.00 66.41 65.06 2e8p h THR 30 Cb 0.77 2.71 -0.07 0.00 -1.74 0.00 0.00 68.15 69.82 2e8p h THR 30 CO -0.00 0.63 0.14 1.56 0.37 0.00 0.00 175.52 178.22 2e8p h GLN 31 N -0.49 0.28 0.14 6.66 4.20 -1.66 0.20 115.11 124.44 2e8p h GLN 31 Ca -0.28 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.42 2e8p h GLN 31 Cb 1.61 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 29.30 2e8p h GLN 31 CO 0.01 0.18 -0.35 0.28 -0.67 0.00 0.00 178.83 178.28 2e8p h VAL 32 N 0.28 0.00 -0.01 -0.54 2.07 -1.50 0.27 116.25 116.82 2e8p h VAL 32 Ca 0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.80 2e8p h VAL 32 Cb 0.37 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2e8p h VAL 32 CO -0.34 0.00 0.01 -0.07 0.02 0.00 0.00 177.57 177.19 2e8p h LEU 33 N -0.55 0.00 -0.72 2.57 3.38 -1.61 -0.22 115.31 118.16 2e8p h LEU 33 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2e8p h LEU 33 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2e8p h LEU 33 CO -0.16 0.00 -0.51 0.44 0.09 0.00 0.00 178.44 178.31 2e8p h ASP 34 N 0.00 0.00 0.82 -0.43 5.19 0.56 -3.10 116.42 119.46 2e8p h ASP 34 Ca 0.01 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.20 2e8p h ASP 34 Cb 0.03 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.52 2e8p h ASP 34 CO -0.00 0.51 -1.01 -0.25 -3.12 0.00 0.00 179.24 175.36 2e8p h TRP 35 N 0.00 0.17 0.11 4.55 7.01 0.13 -3.32 115.95 124.60 2e8p h TRP 35 Ca -0.01 -0.12 -0.01 0.00 2.11 0.00 0.00 58.89 60.87 2e8p h TRP 35 Cb 1.07 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.12 2e8p h TRP 35 CO 0.00 1.04 -0.05 0.82 -2.79 0.00 0.00 178.44 177.46 2e8p h ILE 36 N 0.04 0.92 -0.95 2.65 2.04 -1.38 -2.50 117.51 118.33 2e8p h ILE 36 Ca -0.05 -0.10 0.21 0.00 1.00 0.00 0.00 64.86 65.93 2e8p h ILE 36 Cb 1.73 0.98 -0.08 0.00 -0.74 0.00 0.00 36.82 38.71 2e8p h ILE 36 CO 0.15 0.02 0.62 -1.28 0.00 0.00 0.00 178.15 177.66 2e8p h SER 37 N -0.19 0.50 -0.35 1.72 0.87 -1.65 0.30 113.55 114.75 2e8p h SER 37 Ca -0.01 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 2e8p h SER 37 Cb 0.15 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 2e8p h SER 37 CO 0.02 0.18 0.18 0.22 -0.53 0.00 0.00 176.83 176.91 2e8p h TYR 38 N 0.49 0.49 0.00 2.24 3.20 -1.54 0.96 116.97 122.80 2e8p h TYR 38 Ca 0.51 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.30 2e8p h TYR 38 Cb 1.16 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 2e8p h TYR 38 CO -0.00 0.40 -0.31 1.96 -1.64 0.00 0.00 178.16 178.57 2e8p h GLN 39 N 0.44 0.00 0.02 1.82 1.08 -0.83 -2.42 115.11 115.21 2e8p h GLN 39 Ca 0.12 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.11 2e8p h GLN 39 Cb 0.08 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2e8p h GLN 39 CO -0.02 0.31 -0.96 0.28 -0.95 0.00 0.00 178.83 177.49 2e8p h VAL 40 N 0.00 1.55 0.00 -0.54 2.07 -0.07 -1.23 116.25 118.03 2e8p h VAL 40 Ca -0.00 -2.88 -0.13 0.00 0.82 0.00 0.00 66.70 64.51 2e8p h VAL 40 Cb 1.08 2.63 -0.02 0.00 -1.52 0.00 0.00 31.29 33.45 2e8p h VAL 40 CO 0.04 0.83 -0.85 -0.08 0.02 0.00 0.00 177.57 177.53 2e8p h GLU 41 N 0.07 0.00 0.20 1.57 4.57 -0.80 -1.69 114.58 118.50 2e8p h GLU 41 Ca -0.05 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.79 2e8p h GLU 41 Cb 1.63 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 30.24 2e8p h GLU 41 CO 0.14 0.44 -1.67 -0.22 -1.18 0.00 0.00 179.01 176.52 2e8p h LYS 42 N 0.00 0.42 0.00 1.92 1.63 -1.46 -3.29 116.57 115.79 2e8p h LYS 42 Ca -0.06 -0.72 0.00 0.00 -0.85 0.00 0.00 60.65 59.03 2e8p h LYS 42 Cb 1.47 0.27 0.00 0.00 -0.60 0.00 0.00 32.23 33.36 2e8p h LYS 42 CO 0.06 1.33 0.00 0.09 -3.45 0.00 0.00 179.45 177.48 2e8p n ASN 43 N -3.61 0.00 -1.40 4.20 5.03 -0.47 -4.87 115.26 114.14 2e8p n ASN 43 Ca -0.22 -0.64 -0.18 0.00 0.87 0.00 0.00 54.58 54.42 2e8p n ASN 43 Cb 1.08 -0.12 -0.07 0.00 -1.02 0.00 0.00 39.78 39.65 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 -1.12 -1.23 -1.97 3.52 5.02 -1.14 -4.93 118.16 116.31 2e8p n LYS 44 Ca 0.20 1.09 -0.42 0.00 -2.02 0.00 0.00 58.31 57.16 2e8p n LYS 44 Cb 0.16 -5.36 -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 3.05 0.54 2.13 5.04 -0.65 -4.87 117.35 119.92 2e8p s TYR 45 Ca 0.00 0.78 0.29 0.00 -2.44 0.00 0.00 57.07 55.70 2e8p s TYR 45 Cb 0.00 -3.88 1.45 0.00 0.35 0.00 0.00 41.96 39.88 2e8p s TYR 45 CO 0.00 -3.12 1.93 0.22 -1.34 0.00 0.00 175.55 173.24 2e8p h ASP 46 N 6.18 0.00 -1.61 4.32 1.82 -1.91 -3.45 116.42 121.77 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 0.86 0.00 -0.37 0.00 -1.61 0.00 0.00 179.24 178.12 2e8p n ALA 47 N -2.63 -0.38 -1.24 -0.78 0.00 -1.26 -4.87 120.51 109.35 2e8p n ALA 47 Ca 0.14 0.21 -0.03 0.00 0.00 0.00 0.00 53.44 53.75 2e8p n ALA 47 Cb 0.78 -1.82 0.23 0.00 0.00 0.00 0.00 19.45 18.64 2e8p n ALA 47 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2e8p n SER 48 N -0.98 3.36 0.00 0.00 7.64 -1.26 -4.53 113.62 117.85 2e8p n SER 48 Ca -0.19 -3.46 0.00 0.00 1.01 0.00 0.00 58.87 56.23 2e8p n SER 48 Cb 0.60 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 2e8p n SER 48 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2e8p n ALA 49 N -0.82 2.09 -1.61 -0.43 0.00 -1.26 -5.09 120.51 113.38 2e8p n ALA 49 Ca 0.34 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.35 2e8p n ALA 49 Cb 1.12 0.11 -0.01 0.00 0.00 0.00 0.00 19.45 20.67 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 -1.79 2.06 -3.58 0.00 5.41 -1.26 -4.83 119.36 115.38 2e8p n ILE 50 Ca 0.00 -0.50 -0.38 0.00 1.00 0.00 0.00 62.75 62.87 2e8p n ILE 50 Cb 0.11 -1.14 -0.05 0.00 -0.71 0.00 0.00 39.64 37.84 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 -0.54 6.20 0.53 4.38 1.11 -0.99 -4.89 116.67 122.47 2e8p s ASP 51 Ca 0.59 -3.57 0.30 0.00 0.18 0.00 0.00 52.55 50.04 2e8p s ASP 51 Cb -0.65 -1.97 1.46 0.00 1.07 0.00 0.00 42.92 42.83 2e8p s ASP 51 CO 0.60 -0.24 1.92 -0.26 1.18 0.00 0.00 175.17 178.37 2e8p h PHE 52 N 6.31 0.00 -0.41 4.23 0.04 -1.92 -0.32 116.94 124.88 2e8p h PHE 52 Ca 0.14 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.95 2e8p h PHE 52 Cb 0.85 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.96 2e8p h PHE 52 CO 0.74 0.00 0.19 0.77 -0.60 0.00 0.00 178.31 179.42 2e8p h SER 53 N 0.00 0.28 0.81 2.17 0.02 -1.96 -1.37 113.55 113.50 2e8p h SER 53 Ca 0.38 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.31 2e8p h SER 53 Cb 1.52 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 64.03 2e8p h SER 53 CO -0.01 0.20 -0.23 0.03 -1.14 0.00 0.00 176.83 175.69 2e8p h ARG 54 N 0.40 0.00 -4.31 3.45 2.47 -1.44 -3.36 114.38 111.60 2e8p h ARG 54 Ca 0.18 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 58.22 2e8p h ARG 54 Cb 0.10 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.41 2e8p h ARG 54 CO -0.13 0.23 2.69 0.00 0.56 0.00 0.00 179.97 183.31 2e8p n ASP 56 N 6.98 5.40 -3.95 0.00 9.92 -1.26 -4.90 116.55 128.74 2e8p n ASP 56 Ca 0.51 -3.48 -0.25 0.00 -0.53 0.00 0.00 54.79 51.04 2e8p n ASP 56 Cb 0.40 -0.98 -0.17 0.00 -0.64 0.00 0.00 41.12 39.73 2e8p n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2e8p s MET 57 N -2.90 1.50 0.07 -1.24 0.23 -1.26 -5.04 119.30 110.66 2e8p s MET 57 Ca 0.37 -0.30 -0.27 0.00 -1.03 0.00 0.00 55.69 54.45 2e8p s MET 57 Cb 0.12 -1.41 -0.17 0.00 -1.53 0.00 0.00 34.83 31.84 2e8p s MET 57 CO 0.02 -0.12 1.63 0.38 -2.03 0.00 0.00 175.02 174.90 2e8p h ASP 58 N 7.55 -0.35 0.00 -1.18 2.03 -1.85 -3.39 116.42 119.22 2e8p h ASP 58 Ca -0.31 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.97 2e8p h ASP 58 Cb 1.16 0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2e8p h ASP 58 CO 0.44 -0.22 0.00 0.61 -1.03 0.00 0.00 179.24 179.04 2e8p n GLY 59 N -1.14 -1.51 0.35 7.15 0.00 -1.18 -1.64 105.19 107.22 2e8p n GLY 59 Ca -0.10 0.58 0.13 0.00 0.00 0.00 0.00 46.02 46.63 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 2.08 -0.09 4.61 0.00 -1.68 -0.20 119.26 123.99 2e8p h ALA 60 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2e8p h ALA 60 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2e8p h ALA 60 CO 0.00 -0.21 -0.47 1.15 0.00 0.00 0.00 179.25 179.73 2e8p h THR 61 N 0.32 1.33 0.18 0.00 2.02 -1.90 -1.55 112.91 113.31 2e8p h THR 61 Ca 0.25 -1.65 -0.01 0.00 0.77 0.00 0.00 66.41 65.77 2e8p h THR 61 Cb 0.56 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 2e8p h THR 61 CO -0.06 0.49 -0.09 0.25 0.37 0.00 0.00 175.52 176.49 2e8p h LEU 62 N 0.17 -0.20 -1.02 2.58 5.85 -1.35 -0.24 115.31 121.10 2e8p h LEU 62 Ca 0.01 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 2e8p h LEU 62 Cb 0.89 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 2e8p h LEU 62 CO 0.07 -0.06 -0.35 0.00 -0.34 0.00 0.00 178.44 177.77 2e8p h ASN 64 N 0.00 0.00 -2.77 0.00 2.35 -0.98 -3.45 115.58 110.73 2e8p h ASN 64 Ca -0.00 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.41 2e8p h ASN 64 Cb 0.84 0.00 0.20 0.00 0.05 0.00 0.00 38.32 39.41 2e8p h ASN 64 CO 0.04 0.50 -0.17 0.00 -1.65 0.00 0.00 177.43 176.16 2e8p s ALA 66 N -2.11 3.04 0.10 0.00 0.00 -1.26 -5.03 121.76 116.51 2e8p s ALA 66 Ca 0.62 -1.74 -0.35 0.00 0.00 0.00 0.00 51.96 50.49 2e8p s ALA 66 Cb -0.11 -0.60 -0.15 0.00 0.00 0.00 0.00 23.12 22.26 2e8p s ALA 66 CO 0.52 0.26 1.55 1.25 0.00 0.00 0.00 175.76 179.34 2e8p h LEU 67 N 1.99 -1.55 -1.59 0.00 5.85 -1.98 -0.71 115.31 117.32 2e8p h LEU 67 Ca -0.43 0.16 0.21 0.00 0.84 0.00 0.00 57.88 58.66 2e8p h LEU 67 Cb 1.25 0.56 -0.06 0.00 0.37 0.00 0.00 40.66 42.78 2e8p h LEU 67 CO 0.61 -0.58 0.60 -0.33 -0.34 0.00 0.00 178.44 178.39 2e8p h GLU 68 N -0.81 0.33 0.45 1.25 4.39 -1.99 -1.48 114.58 116.72 2e8p h GLU 68 Ca -0.02 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 2e8p h GLU 68 Cb 0.79 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2e8p h GLU 68 CO -0.24 0.22 -0.22 0.93 -1.16 0.00 0.00 179.01 178.54 2e8p h GLU 69 N 0.34 -0.58 -0.16 2.33 5.08 -1.57 -1.79 114.58 118.23 2e8p h GLU 69 Ca 0.46 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.91 2e8p h GLU 69 Cb 1.24 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 2e8p h GLU 69 CO -0.15 -0.34 0.17 -0.07 -1.00 0.00 0.00 179.01 177.62 2e8p h LEU 70 N -0.69 0.00 -0.06 1.33 3.38 -0.33 0.25 115.31 119.19 2e8p h LEU 70 Ca -0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2e8p h LEU 70 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2e8p h LEU 70 CO 0.10 0.00 -0.20 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 -0.92 -0.28 114.38 117.39 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 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2e8p h ARG 71 CO -0.00 0.20 -1.06 1.28 -1.07 0.00 0.00 179.97 179.32 2e8p n LEU 72 N -3.16 0.63 -0.08 3.04 4.77 0.75 -2.01 117.00 120.94 2e8p n LEU 72 Ca 0.03 0.12 -0.06 0.00 -0.03 0.00 0.00 56.01 56.07 2e8p n LEU 72 Cb 0.60 -0.09 -0.15 0.00 -2.33 0.00 0.00 43.42 41.45 2e8p n LEU 72 CO 0.36 -0.04 -1.06 0.52 -1.33 0.00 0.00 177.39 175.84 2e8p n VAL 73 N -2.21 1.09 -1.30 4.08 0.31 -0.42 -4.47 118.33 115.41 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 -0.41 0.16 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 -4.89 3.52 3.72 -0.12 -2.36 117.46 114.70 2e8p n PHE 74 Ca -0.27 -1.13 0.00 0.00 -0.05 0.00 0.00 57.45 56.01 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 -1.25 1.04 0.00 1.37 0.00 -0.85 -2.32 105.19 103.17 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 -2.48 135.00 133.16 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 0.26 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 -1.12 1.53 5.85 -1.78 -3.22 115.31 116.57 2e8p h LEU 77 Ca 0.00 0.00 0.18 0.00 0.84 0.00 0.00 57.88 58.90 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 0.38 0.61 1.23 -0.34 0.00 0.00 178.44 180.33 2e8p h GLY 78 N 2.53 1.55 0.73 3.75 0.00 -1.51 0.18 103.07 110.31 2e8p h GLY 78 Ca -0.00 -0.33 0.17 0.00 0.00 0.00 0.00 47.33 47.16 2e8p h GLY 78 CO 0.05 -0.01 0.47 -1.80 0.00 0.00 0.00 176.54 175.25 2e8p h ASP 79 N 0.73 0.00 0.14 0.19 3.58 -1.80 0.21 116.42 119.47 2e8p h ASP 79 Ca 0.54 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.63 2e8p h ASP 79 Cb 0.89 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.92 2e8p h ASP 79 CO -0.31 0.00 -1.98 0.00 -2.88 0.00 0.00 179.24 174.06 2e8p n GLN 80 N -4.15 0.76 -0.01 0.28 1.13 0.57 -3.84 117.38 112.12 2e8p n GLN 80 Ca 0.11 0.26 -0.12 0.00 -1.94 0.00 0.00 57.00 55.32 2e8p n GLN 80 Cb 0.71 -1.72 -0.06 0.00 0.11 0.00 0.00 30.24 29.28 2e8p n GLN 80 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2e8p h LEU 81 N 0.07 0.12 -0.48 1.08 3.38 -0.45 -3.01 115.31 116.03 2e8p h LEU 81 Ca -0.42 -0.15 0.09 0.00 0.09 0.00 0.00 57.88 57.49 2e8p h LEU 81 Cb 2.04 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 42.68 2e8p h LEU 81 CO 0.09 0.24 0.00 -0.74 0.09 0.00 0.00 178.44 178.12 2e8p h HIS 82 N -0.01 -0.02 -0.94 1.13 2.76 -0.82 0.47 115.15 117.72 2e8p h HIS 82 Ca 0.03 0.04 0.20 0.00 -2.20 0.00 0.00 60.37 58.44 2e8p h HIS 82 Cb 0.15 0.08 -0.08 0.00 1.55 0.00 0.00 27.41 29.12 2e8p h HIS 82 CO -0.02 -0.10 0.61 0.00 -1.30 0.00 0.00 177.93 177.11 2e8p h ALA 83 N 1.43 2.08 -0.01 5.26 0.00 -1.63 0.18 119.26 126.58 2e8p h ALA 83 Ca 0.24 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2e8p h ALA 83 Cb 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2e8p h ALA 83 CO -0.40 -0.40 -0.09 1.96 0.00 0.00 0.00 179.25 180.32 2e8p h GLN 84 N 0.50 0.07 -0.13 0.00 1.08 -0.86 -3.20 115.11 112.57 2e8p h GLN 84 Ca 0.50 -0.07 0.04 0.00 -1.45 0.00 0.00 58.65 57.67 2e8p h GLN 84 Cb 1.12 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.57 2e8p h GLN 84 CO -0.23 0.81 0.14 -0.07 -0.95 0.00 0.00 178.83 178.53 2e8p h LEU 85 N -0.64 0.00 -0.76 1.46 3.38 -0.21 0.51 115.31 119.06 2e8p h LEU 85 Ca -0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2e8p h LEU 85 Cb 0.84 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 2e8p h LEU 85 CO 0.02 0.00 -0.60 0.03 0.09 0.00 0.00 178.44 177.98 2e8p h ARG 86 N 0.00 0.07 0.18 1.13 3.08 -1.00 -3.17 114.38 114.66 2e8p h ARG 86 Ca 0.06 -0.05 -0.31 0.00 0.07 0.00 0.00 59.98 59.75 2e8p h ARG 86 Cb 0.33 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.40 2e8p h ARG 86 CO -0.00 0.65 -1.47 -0.44 -1.07 0.00 0.00 179.97 177.64 2e8p h ASP 87 N 0.05 0.58 -0.64 7.04 5.19 -0.93 -2.22 116.42 125.48 2e8p h ASP 87 Ca -0.01 -0.69 0.12 0.00 -0.62 0.00 0.00 57.03 55.83 2e8p h ASP 87 Cb 1.08 -0.19 -0.09 0.00 0.18 0.00 0.00 39.33 40.31 2e8p h ASP 87 CO 0.08 1.55 0.19 -0.07 -3.12 0.00 0.00 179.24 177.88 2e8p h LEU 88 N 0.10 0.11 0.00 1.55 3.38 -1.29 -3.18 115.31 115.98 2e8p h LEU 88 Ca -0.23 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2e8p h LEU 88 Cb 2.07 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.94 2e8p h LEU 88 CO 0.21 0.06 -0.16 0.71 0.09 0.00 0.00 178.44 179.35 2e8p h THR 89 N 0.33 0.21 -1.14 0.22 1.35 -1.67 -3.45 112.91 108.77 2e8p h THR 89 Ca 0.34 -1.17 -0.54 0.00 -0.55 0.00 0.00 66.41 64.49 2e8p h THR 89 Cb 0.50 0.41 -0.02 0.00 -1.73 0.00 0.00 68.15 67.31 2e8p h THR 89 CO -0.39 0.07 1.60 -0.24 -0.25 0.00 0.00 175.52 176.31 2e8p n SER 90 N -4.71 1.89 -1.43 5.36 2.88 -0.83 -4.60 113.62 112.16 2e8p n SER 90 Ca -0.04 -0.06 0.19 0.00 -1.33 0.00 0.00 58.87 57.64 2e8p n SER 90 Cb 0.13 -1.35 -0.05 0.00 -0.75 0.00 0.00 64.21 62.19 2e8p n SER 90 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2e8p n SER 91 N 12.79 -8.52 0.00 -3.46 7.64 -1.26 -4.73 113.62 116.08 2e8p n SER 91 Ca 0.44 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.98 2e8p n SER 91 Cb 0.34 -4.41 0.00 0.00 -1.01 0.00 0.00 64.21 59.13 2e8p n SER 91 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79