#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e8p h SER 2 N 0.00 -0.16 -5.69 1.61 0.87 -2.12 -3.47 113.55 104.60 2e8p h SER 2 Ca 0.00 0.01 -0.41 0.00 -1.23 0.00 0.00 61.79 60.16 2e8p h SER 2 Cb 0.00 0.04 0.11 0.00 -0.44 0.00 0.00 62.40 62.11 2e8p h SER 2 CO 0.00 0.00 -0.68 -0.24 -0.53 0.00 0.00 176.83 175.39 2e8p n SER 3 N -3.14 -6.20 -4.67 6.23 2.88 -1.26 -4.98 113.62 102.47 2e8p n SER 3 Ca -0.02 -0.52 -0.35 0.00 -1.33 0.00 0.00 58.87 56.64 2e8p n SER 3 Cb 0.07 -4.90 -0.09 0.00 -0.75 0.00 0.00 64.21 58.54 2e8p n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2e8p s GLY 4 N -3.22 1.87 -0.25 0.46 0.00 -1.26 -5.09 107.32 99.83 2e8p s GLY 4 Ca 0.55 -0.78 -0.01 0.00 0.00 0.00 0.00 44.72 44.48 2e8p s GLY 4 CO 0.68 -0.42 0.02 -0.45 0.00 0.00 0.00 173.10 172.94 2e8p s SER 5 N -0.60 3.66 -0.24 1.64 0.15 -1.26 -5.10 113.70 111.96 2e8p s SER 5 Ca 0.10 -1.25 -0.28 0.00 0.70 0.00 0.00 55.95 55.22 2e8p s SER 5 Cb -0.12 -0.94 0.15 0.00 -1.71 0.00 0.00 66.02 63.40 2e8p s SER 5 CO 0.02 -0.32 1.16 -0.44 1.20 0.00 0.00 173.24 174.87 2e8p s SER 6 N 1.57 -0.27 0.00 5.45 0.01 -1.26 -5.19 113.70 114.01 2e8p s SER 6 Ca 0.01 0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2e8p s SER 6 Cb -0.18 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.42 2e8p s SER 6 CO -0.12 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 173.97 2e8p n GLY 7 N 1.26 -0.02 0.25 3.44 0.00 -1.26 -5.02 105.19 103.84 2e8p n GLY 7 Ca -0.09 -0.95 -0.04 0.00 0.00 0.00 0.00 46.02 44.94 2e8p n GLY 7 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2e8p h GLN 8 N 0.00 0.76 0.00 1.61 4.20 -2.08 -3.47 115.11 116.13 2e8p h GLN 8 Ca 0.00 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.69 2e8p h GLN 8 Cb 0.00 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 2e8p h GLN 8 CO 0.00 0.50 -0.03 -0.12 -0.67 0.00 0.00 178.83 178.51 2e8p n MET 9 N -4.70 -0.19 -1.36 1.46 1.56 -1.26 -4.96 117.12 107.67 2e8p n MET 9 Ca 0.06 0.13 0.18 0.00 -0.27 0.00 0.00 57.70 57.79 2e8p n MET 9 Cb 0.07 -0.23 -0.05 0.00 2.15 0.00 0.00 33.22 35.16 2e8p n MET 9 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 2e8p n SER 10 N -3.42 -8.01 -2.71 6.12 7.64 -1.26 -4.91 113.62 107.07 2e8p n SER 10 Ca 0.00 0.62 -0.07 0.00 1.01 0.00 0.00 58.87 60.43 2e8p n SER 10 Cb 0.04 -4.18 0.10 0.00 -1.01 0.00 0.00 64.21 59.16 2e8p n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2e8p n LEU 11 N -4.01 -1.94 -3.15 -3.43 -0.00 -1.26 -5.07 117.00 98.14 2e8p n LEU 11 Ca 0.00 -3.04 0.01 0.00 -0.00 0.00 0.00 56.01 52.97 2e8p n LEU 11 Cb 0.66 0.94 -0.01 0.00 -0.00 0.00 0.00 43.42 45.01 2e8p n LEU 11 CO 0.01 1.90 0.11 -1.61 -0.00 0.00 0.00 177.39 177.81 2e8p s GLU 12 N 0.19 0.80 0.00 1.47 2.02 -1.26 -4.94 118.70 116.98 2e8p s GLU 12 Ca 0.21 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 54.90 2e8p s GLU 12 Cb 0.29 0.09 0.00 0.00 0.10 0.00 0.00 34.13 34.61 2e8p s GLU 12 CO -0.10 -1.15 0.00 0.41 0.02 0.00 0.00 175.26 174.44 2e8p n GLY 13 N 4.28 1.93 0.03 -1.39 0.00 -1.26 -5.02 105.19 103.76 2e8p n GLY 13 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 2e8p n GLY 13 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2e8p n THR 14 N -0.73 0.34 -2.28 2.61 -2.24 -1.26 -4.80 114.28 105.92 2e8p n THR 14 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2e8p n THR 14 Cb 0.00 -0.86 -0.01 0.00 -2.10 0.00 0.00 70.33 67.36 2e8p n THR 14 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2e8p n GLU 15 N -2.22 0.00 -3.60 -0.78 2.13 -1.26 -5.12 120.64 109.79 2e8p n GLU 15 Ca -0.08 -1.50 -0.03 0.00 0.66 0.00 0.00 57.16 56.20 2e8p n GLU 15 Cb 0.66 0.11 0.02 0.00 0.27 0.00 0.00 31.44 32.49 2e8p n GLU 15 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2e8p n LYS 16 N 0.28 0.62 -3.64 5.31 4.76 -1.26 -5.18 118.16 119.05 2e8p n LYS 16 Ca -0.05 -1.38 -0.09 0.00 -2.87 0.00 0.00 58.31 53.91 2e8p n LYS 16 Cb 0.94 1.85 -0.07 0.00 -1.84 0.00 0.00 35.03 35.91 2e8p n LYS 16 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2e8p s ALA 17 N -1.93 -1.93 0.38 7.82 0.00 -1.26 -4.37 121.76 120.48 2e8p s ALA 17 Ca 0.20 2.10 0.38 0.00 0.00 0.00 0.00 51.96 54.64 2e8p s ALA 17 Cb -0.03 -1.39 2.00 0.00 0.00 0.00 0.00 23.12 23.71 2e8p s ALA 17 CO 0.05 -0.32 2.16 1.03 0.00 0.00 0.00 175.76 178.68 2e8p h SER 18 N 5.37 0.00 -0.29 0.00 0.87 -1.97 0.15 113.55 117.68 2e8p h SER 18 Ca -0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2e8p h SER 18 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2e8p h SER 18 CO 0.11 0.00 0.00 -2.67 -0.53 0.00 0.00 176.83 173.74 2e8p n TRP 19 N -2.88 0.89 -3.82 2.24 4.27 -1.26 -4.91 117.44 111.97 2e8p n TRP 19 Ca -0.02 -0.79 -0.36 0.00 -3.89 0.00 0.00 57.50 52.44 2e8p n TRP 19 Cb 0.10 -0.26 -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 -2.43 3.49 0.00 5.67 1.43 0.04 -4.37 118.68 122.51 2e8p s LEU 20 Ca 0.39 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 2e8p s LEU 20 Cb 0.30 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.59 2e8p s LEU 20 CO 0.11 0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.30 2e8p n GLY 21 N 4.66 2.46 3.30 -3.19 0.00 -1.26 -4.79 105.19 106.37 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 -0.37 1.72 0.93 1.61 2.56 -1.26 -5.13 118.70 118.77 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 1.11 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 0.32 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 -4.16 0.06 0.10 -1.09 -0.04 -1.26 -2.24 135.00 126.37 2e8p n PRO 24 Ca 0.11 0.22 0.04 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 32.48 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 -1.37 0.54 4.20 -1.90 -3.35 115.11 113.24 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 0.29 0.06 1.19 -0.67 0.00 0.00 178.83 179.71 2e8p n PHE 26 N -3.00 3.11 -3.73 2.96 3.01 -0.95 -3.04 117.46 115.82 2e8p n PHE 26 Ca -0.02 -2.68 -0.23 0.00 1.01 0.00 0.00 57.45 55.52 2e8p n PHE 26 Cb 0.72 -0.72 -0.02 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 3.47 0.37 1.38 0.52 -1.25 -4.84 118.94 114.84 2e8p s TRP 27 Ca 0.53 0.17 0.07 0.00 0.02 0.00 0.00 56.10 56.90 2e8p s TRP 27 Cb 0.44 -1.73 -0.02 0.00 -1.15 0.00 0.00 33.47 31.01 2e8p s TRP 27 CO -0.16 0.33 0.38 -1.54 0.02 0.00 0.00 176.95 175.98 2e8p s SER 28 N -3.82 5.35 0.58 2.95 1.04 -0.66 -2.92 113.70 116.22 2e8p s SER 28 Ca 0.37 -0.53 0.27 0.00 0.48 0.00 0.00 55.95 56.54 2e8p s SER 28 Cb -0.10 -0.83 1.61 0.00 0.10 0.00 0.00 66.02 66.80 2e8p s SER 28 CO 0.31 -0.52 2.11 0.11 0.98 0.00 0.00 173.24 176.23 2e8p h LYS 29 N 1.04 0.00 0.11 4.02 1.57 -1.78 -2.01 116.57 119.52 2e8p h LYS 29 Ca -0.43 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.10 2e8p h LYS 29 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 2e8p h LYS 29 CO 0.55 0.00 -1.27 1.15 -0.57 0.00 0.00 179.45 179.31 2e8p h THR 30 N 0.00 1.11 -0.53 -0.16 2.02 -1.90 -3.33 112.91 110.13 2e8p h THR 30 Ca 0.09 -2.40 0.09 0.00 0.77 0.00 0.00 66.41 64.96 2e8p h THR 30 Cb 0.46 2.77 -0.07 0.00 -1.74 0.00 0.00 68.15 69.56 2e8p h THR 30 CO -0.00 0.68 0.10 1.56 0.37 0.00 0.00 175.52 178.22 2e8p h GLN 31 N -0.39 0.23 0.07 6.66 4.20 -1.70 0.16 115.11 124.34 2e8p h GLN 31 Ca -0.28 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.42 2e8p h GLN 31 Cb 1.69 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.40 2e8p h GLN 31 CO 0.05 0.15 -0.15 0.28 -0.67 0.00 0.00 178.83 178.49 2e8p h VAL 32 N 0.23 0.00 -0.27 -0.54 2.07 -1.56 0.26 116.25 116.44 2e8p h VAL 32 Ca 0.27 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.87 2e8p h VAL 32 Cb 0.37 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2e8p h VAL 32 CO -0.35 0.00 0.26 -0.07 0.02 0.00 0.00 177.57 177.43 2e8p h LEU 33 N -0.25 0.00 -0.59 2.57 3.38 -1.62 0.23 115.31 119.03 2e8p h LEU 33 Ca -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2e8p h LEU 33 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2e8p h LEU 33 CO -0.06 0.00 -0.55 0.44 0.09 0.00 0.00 178.44 178.36 2e8p h ASP 34 N 0.00 0.00 0.87 -0.43 5.19 0.34 -3.15 116.42 119.24 2e8p h ASP 34 Ca 0.13 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.31 2e8p h ASP 34 Cb 0.65 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.15 2e8p h ASP 34 CO -0.00 0.55 -1.09 -0.25 -3.12 0.00 0.00 179.24 175.33 2e8p h TRP 35 N 0.00 0.18 0.15 4.55 7.01 0.29 -3.32 115.95 124.80 2e8p h TRP 35 Ca -0.01 -0.13 -0.01 0.00 2.11 0.00 0.00 58.89 60.86 2e8p h TRP 35 Cb 1.16 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.22 2e8p h TRP 35 CO 0.00 1.10 -0.07 0.82 -2.79 0.00 0.00 178.44 177.50 2e8p h ILE 36 N 0.03 0.87 -0.94 2.65 2.04 -1.36 -2.51 117.51 118.28 2e8p h ILE 36 Ca -0.06 -0.09 0.21 0.00 1.00 0.00 0.00 64.86 65.92 2e8p h ILE 36 Cb 1.84 0.93 -0.08 0.00 -0.74 0.00 0.00 36.82 38.78 2e8p h ILE 36 CO 0.16 0.02 0.61 -1.28 0.00 0.00 0.00 178.15 177.66 2e8p h SER 37 N -0.25 0.49 -0.33 1.72 0.87 -1.67 0.30 113.55 114.69 2e8p h SER 37 Ca -0.02 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 2e8p h SER 37 Cb 0.19 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 2e8p h SER 37 CO 0.03 0.18 0.18 0.22 -0.53 0.00 0.00 176.83 176.91 2e8p h TYR 38 N 0.48 0.46 0.00 2.24 3.20 -1.55 0.14 116.97 121.95 2e8p h TYR 38 Ca 0.51 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.29 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 0.38 -0.32 1.96 -1.64 0.00 0.00 178.16 178.53 2e8p h GLN 39 N 0.41 0.00 0.00 1.82 1.08 -0.84 -2.47 115.11 115.11 2e8p h GLN 39 Ca 0.12 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.16 2e8p h GLN 39 Cb 0.08 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 2e8p h GLN 39 CO -0.02 0.32 -0.74 0.28 -0.95 0.00 0.00 178.83 177.73 2e8p h VAL 40 N 0.00 1.30 0.00 -0.54 2.07 -0.07 -2.03 116.25 116.99 2e8p h VAL 40 Ca -0.00 -2.74 -0.16 0.00 0.82 0.00 0.00 66.70 64.61 2e8p h VAL 40 Cb 1.09 2.58 -0.03 0.00 -1.52 0.00 0.00 31.29 33.41 2e8p h VAL 40 CO 0.04 0.72 -1.15 -0.08 0.02 0.00 0.00 177.57 177.12 2e8p h GLU 41 N 0.00 0.00 0.03 1.57 4.57 -0.67 -2.13 114.58 117.94 2e8p h GLU 41 Ca -0.01 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 2e8p h GLU 41 Cb 1.52 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.11 2e8p h GLU 41 CO 0.10 0.41 -0.36 -0.22 -1.18 0.00 0.00 179.01 177.76 2e8p h LYS 42 N 0.00 0.06 0.00 1.92 3.64 -1.48 -3.29 116.57 117.42 2e8p h LYS 42 Ca -0.12 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2e8p h LYS 42 Cb 1.57 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 2e8p h LYS 42 CO 0.06 1.05 0.00 0.09 -2.27 0.00 0.00 179.45 178.38 2e8p n ASN 43 N -4.48 0.00 -2.48 4.20 3.02 -0.77 -4.87 115.26 109.89 2e8p n ASN 43 Ca -0.14 0.38 -0.19 0.00 -0.03 0.00 0.00 54.58 54.60 2e8p n ASN 43 Cb 0.58 -0.45 0.03 0.00 -0.61 0.00 0.00 39.78 39.33 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 -1.45 -3.76 -2.33 3.52 5.02 -1.15 -4.96 118.16 113.06 2e8p n LYS 44 Ca 0.06 0.77 -0.39 0.00 -2.02 0.00 0.00 58.31 56.73 2e8p n LYS 44 Cb 0.20 -5.31 -0.03 0.00 -0.02 0.00 0.00 35.03 29.87 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 -3.05 3.24 0.42 2.13 5.04 -0.81 -4.91 117.35 119.41 2e8p s TYR 45 Ca 0.22 1.58 0.17 0.00 -2.44 0.00 0.00 57.07 56.60 2e8p s TYR 45 Cb -0.10 -3.40 1.08 0.00 0.35 0.00 0.00 41.96 39.89 2e8p s TYR 45 CO 0.27 -1.15 1.86 0.22 -1.34 0.00 0.00 175.55 175.42 2e8p h ASP 46 N 3.17 0.41 -1.83 4.32 3.58 -1.93 -3.45 116.42 120.69 2e8p h ASP 46 Ca -0.48 0.04 -0.39 0.00 0.42 0.00 0.00 57.03 56.62 2e8p h ASP 46 Cb 1.22 -0.04 -0.09 0.00 1.72 0.00 0.00 39.33 42.15 2e8p h ASP 46 CO 0.65 0.17 -0.42 0.00 -2.88 0.00 0.00 179.24 176.75 2e8p n ALA 47 N -2.52 -0.43 -1.28 -0.78 0.00 -1.26 -4.86 120.51 109.39 2e8p n ALA 47 Ca 0.19 0.23 -0.02 0.00 0.00 0.00 0.00 53.44 53.84 2e8p n ALA 47 Cb 0.68 -1.99 0.22 0.00 0.00 0.00 0.00 19.45 18.35 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 3.11 0.00 0.00 3.41 -1.26 -4.56 113.62 112.94 2e8p n SER 48 Ca -0.21 -3.51 0.00 0.00 -0.26 0.00 0.00 58.87 54.89 2e8p n SER 48 Cb 0.65 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 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 -0.91 2.14 -1.63 7.33 0.00 -1.26 -5.09 120.51 121.11 2e8p n ALA 49 Ca 0.32 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 53.30 2e8p n ALA 49 Cb 1.06 0.07 -0.03 0.00 0.00 0.00 0.00 19.45 20.55 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 -1.78 0.87 -3.43 0.00 5.41 -1.26 -4.78 119.36 114.39 2e8p n ILE 50 Ca 0.00 -0.22 -0.43 0.00 1.00 0.00 0.00 62.75 63.10 2e8p n ILE 50 Cb 0.07 -1.17 -0.03 0.00 -0.71 0.00 0.00 39.64 37.80 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 0.18 6.72 0.56 4.38 1.01 -1.03 -4.88 116.67 123.62 2e8p s ASP 51 Ca 0.71 -3.31 0.28 0.00 0.71 0.00 0.00 52.55 50.94 2e8p s ASP 51 Cb -0.75 -2.12 1.48 0.00 1.01 0.00 0.00 42.92 42.55 2e8p s ASP 51 CO 0.50 -0.35 1.98 -0.26 0.21 0.00 0.00 175.17 177.25 2e8p h PHE 52 N 6.87 0.00 0.00 4.23 0.04 -1.91 0.24 116.94 126.41 2e8p h PHE 52 Ca 0.14 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.87 2e8p h PHE 52 Cb 0.91 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.06 2e8p h PHE 52 CO 0.82 0.00 -0.17 0.77 -0.60 0.00 0.00 178.31 179.13 2e8p h SER 53 N 0.00 0.00 1.10 2.17 0.02 -1.95 -2.14 113.55 112.75 2e8p h SER 53 Ca 0.21 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.01 2e8p h SER 53 Cb 1.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 2e8p h SER 53 CO -0.00 0.17 -0.95 0.03 -1.14 0.00 0.00 176.83 174.94 2e8p h ARG 54 N 0.00 0.00 -4.99 3.45 2.47 -0.88 -3.40 114.38 111.03 2e8p h ARG 54 Ca -0.00 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.14 2e8p h ARG 54 Cb 0.35 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.65 2e8p h ARG 54 CO 0.02 0.50 2.07 0.00 0.56 0.00 0.00 179.97 183.13 2e8p n ASP 56 N 9.48 3.04 -4.69 0.00 9.92 -1.26 -4.89 116.55 128.14 2e8p n ASP 56 Ca 0.49 -1.97 -0.42 0.00 -0.53 0.00 0.00 54.79 52.35 2e8p n ASP 56 Cb 0.43 -0.35 -0.03 0.00 -0.64 0.00 0.00 41.12 40.54 2e8p n ASP 56 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 2e8p s MET 57 N -1.31 4.28 -0.09 -1.24 -1.94 -1.26 -4.93 119.30 112.80 2e8p s MET 57 Ca 0.38 1.99 -0.27 0.00 -1.71 0.00 0.00 55.69 56.08 2e8p s MET 57 Cb 0.20 -3.56 -0.25 0.00 2.01 0.00 0.00 34.83 33.24 2e8p s MET 57 CO 0.27 -0.58 0.93 0.38 -0.01 0.00 0.00 175.02 176.01 2e8p h ASP 58 N 7.83 0.06 0.00 3.03 2.03 -1.85 -3.41 116.42 124.11 2e8p h ASP 58 Ca -0.38 -0.85 0.00 0.00 -0.73 0.00 0.00 57.03 55.07 2e8p h ASP 58 Cb 1.18 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 2e8p h ASP 58 CO 0.90 0.90 0.00 0.61 -1.03 0.00 0.00 179.24 180.63 2e8p n GLY 59 N 1.21 -1.22 0.23 7.15 0.00 -1.15 -1.65 105.19 109.76 2e8p n GLY 59 Ca -0.10 0.42 0.07 0.00 0.00 0.00 0.00 46.02 46.40 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 1.60 0.00 4.61 0.00 -1.69 -2.05 119.26 121.74 2e8p h ALA 60 Ca 0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 2e8p h ALA 60 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2e8p h ALA 60 CO 0.00 0.22 -0.64 1.15 0.00 0.00 0.00 179.25 179.98 2e8p h THR 61 N 0.00 1.36 0.02 0.00 2.02 -1.90 -2.23 112.91 112.18 2e8p h THR 61 Ca -0.00 -2.26 -0.00 0.00 0.77 0.00 0.00 66.41 64.92 2e8p h THR 61 Cb 0.33 2.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 2e8p h THR 61 CO 0.02 0.63 -0.01 0.25 0.37 0.00 0.00 175.52 176.78 2e8p h LEU 62 N 0.00 -0.02 -1.36 2.58 5.85 -1.69 0.23 115.31 120.89 2e8p h LEU 62 Ca -0.01 -0.46 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 2e8p h LEU 62 Cb 1.20 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 2e8p h LEU 62 CO 0.08 0.46 -0.27 0.00 -0.34 0.00 0.00 178.44 178.37 2e8p h ASN 64 N 0.00 0.00 -2.54 0.00 2.35 -1.35 -3.47 115.58 110.57 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 0.63 0.00 0.23 0.00 0.05 0.00 0.00 38.32 39.23 2e8p h ASN 64 CO 0.03 0.59 -0.99 0.00 -1.65 0.00 0.00 177.43 175.42 2e8p s ALA 66 N -2.27 3.59 0.09 0.00 0.00 -1.26 -5.00 121.76 116.91 2e8p s ALA 66 Ca 0.56 -1.33 -0.32 0.00 0.00 0.00 0.00 51.96 50.87 2e8p s ALA 66 Cb -0.14 -1.34 -0.14 0.00 0.00 0.00 0.00 23.12 21.51 2e8p s ALA 66 CO 0.66 0.35 1.50 1.25 0.00 0.00 0.00 175.76 179.53 2e8p h LEU 67 N 1.85 -1.41 -1.82 0.00 5.85 -1.98 -0.46 115.31 117.33 2e8p h LEU 67 Ca -0.48 0.14 0.23 0.00 0.84 0.00 0.00 57.88 58.60 2e8p h LEU 67 Cb 1.22 0.51 -0.04 0.00 0.37 0.00 0.00 40.66 42.72 2e8p h LEU 67 CO 0.62 -0.53 0.59 -0.33 -0.34 0.00 0.00 178.44 178.45 2e8p h GLU 68 N -0.74 0.14 0.33 1.25 4.39 -1.99 -1.33 114.58 116.62 2e8p h GLU 68 Ca -0.02 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2e8p h GLU 68 Cb 0.72 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2e8p h GLU 68 CO -0.21 0.09 -0.16 0.93 -1.16 0.00 0.00 179.01 178.50 2e8p h GLU 69 N 0.14 -0.42 -0.17 2.33 5.08 -1.53 -2.27 114.58 117.74 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 1.42 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 2e8p h GLU 69 CO -0.07 -0.14 0.18 -0.07 -1.00 0.00 0.00 179.01 177.92 2e8p h LEU 70 N -0.68 0.00 -0.07 1.33 3.38 -0.13 0.27 115.31 119.41 2e8p h LEU 70 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2e8p h LEU 70 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2e8p h LEU 70 CO 0.07 0.00 -0.16 0.03 0.09 0.00 0.00 178.44 178.47 2e8p h ARG 71 N 0.00 0.00 0.00 1.13 3.08 -1.13 -0.41 114.38 117.05 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 0.16 -1.04 1.28 -1.07 0.00 0.00 179.97 179.30 2e8p n LEU 72 N -3.15 0.63 -0.08 3.04 4.77 0.84 -2.01 117.00 121.04 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 0.58 -0.09 -0.15 0.00 -2.33 0.00 0.00 43.42 41.43 2e8p n LEU 72 CO 0.36 -0.03 -1.06 0.52 -1.33 0.00 0.00 177.39 175.84 2e8p n VAL 73 N -2.19 1.10 -1.33 4.08 0.31 -0.48 -4.47 118.33 115.35 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 33.15 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 -2.63 0.00 -4.90 3.52 3.72 -0.17 -2.45 117.46 114.55 2e8p n PHE 74 Ca -0.27 -1.12 0.00 0.00 -0.05 0.00 0.00 57.45 56.01 2e8p n PHE 74 Cb 1.03 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 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 -1.22 1.04 0.00 1.37 0.00 -0.85 -2.33 105.19 103.20 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 -2.47 135.00 133.17 2e8p n PRO 76 Ca 0.00 0.18 0.06 0.00 -0.04 0.00 0.00 63.50 63.70 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 -0.91 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 0.37 0.51 1.23 -0.34 0.00 0.00 178.44 180.21 2e8p h GLY 78 N 2.62 1.54 0.35 3.75 0.00 -1.50 0.11 103.07 109.94 2e8p h GLY 78 Ca -0.00 -0.30 0.22 0.00 0.00 0.00 0.00 47.33 47.24 2e8p h GLY 78 CO 0.05 -0.03 0.59 -1.80 0.00 0.00 0.00 176.54 175.35 2e8p h ASP 79 N 0.70 0.19 0.18 0.19 3.58 -1.80 0.21 116.42 119.67 2e8p h ASP 79 Ca 0.51 0.02 -0.33 0.00 0.42 0.00 0.00 57.03 57.64 2e8p h ASP 79 Cb 0.72 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.77 2e8p h ASP 79 CO -0.36 0.08 -1.66 1.56 -2.88 0.00 0.00 179.24 175.98 2e8p h GLN 80 N 0.19 0.38 -0.48 0.28 7.50 -1.03 -3.32 115.11 118.63 2e8p h GLN 80 Ca 0.42 -0.65 -0.01 0.00 0.50 0.00 0.00 58.65 58.92 2e8p h GLN 80 Cb 1.37 0.24 -0.02 0.00 0.05 0.00 0.00 27.48 29.11 2e8p h GLN 80 CO -0.09 1.31 0.27 -0.07 -1.50 0.00 0.00 178.83 178.76 2e8p h LEU 81 N 0.03 0.60 -0.57 1.46 3.38 -0.23 -2.79 115.31 117.19 2e8p h LEU 81 Ca -0.33 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 57.66 2e8p h LEU 81 Cb 2.04 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 42.56 2e8p h LEU 81 CO 0.16 0.50 0.15 -0.74 0.09 0.00 0.00 178.44 178.61 2e8p h HIS 82 N 0.64 0.25 -1.00 1.13 2.76 -0.81 -0.17 115.15 117.95 2e8p h HIS 82 Ca 0.17 0.03 0.18 0.00 -2.20 0.00 0.00 60.37 58.55 2e8p h HIS 82 Cb 0.03 -0.02 -0.10 0.00 1.55 0.00 0.00 27.41 28.87 2e8p h HIS 82 CO -0.02 0.02 0.62 0.00 -1.30 0.00 0.00 177.93 177.24 2e8p h ALA 83 N 1.43 1.66 -0.03 5.26 0.00 -1.59 0.19 119.26 126.19 2e8p h ALA 83 Ca 0.29 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 2e8p h ALA 83 Cb 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2e8p h ALA 83 CO -0.35 -0.01 -0.15 1.96 0.00 0.00 0.00 179.25 180.70 2e8p h GLN 84 N 0.80 0.15 -0.11 0.00 1.08 -1.07 -3.19 115.11 112.77 2e8p h GLN 84 Ca 0.56 -0.13 0.03 0.00 -1.45 0.00 0.00 58.65 57.67 2e8p h GLN 84 Cb 0.84 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.29 2e8p h GLN 84 CO -0.36 0.80 0.08 -0.07 -0.95 0.00 0.00 178.83 178.33 2e8p h LEU 85 N -0.45 0.00 -1.31 1.46 3.38 -0.28 -0.32 115.31 117.79 2e8p h LEU 85 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2e8p h LEU 85 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2e8p h LEU 85 CO 0.03 0.00 -0.34 0.03 0.09 0.00 0.00 178.44 178.25 2e8p h ARG 86 N 0.00 0.00 0.00 1.13 3.08 -0.64 -1.93 114.38 116.03 2e8p h ARG 86 Ca 0.05 -0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.95 2e8p h ARG 86 Cb 0.22 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2e8p h ARG 86 CO -0.00 0.35 -0.78 -0.44 -1.07 0.00 0.00 179.97 178.03 2e8p h ASP 87 N 0.00 0.00 -0.03 7.04 5.19 -1.07 -0.82 116.42 126.73 2e8p h ASP 87 Ca -0.00 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.34 2e8p h ASP 87 Cb 0.61 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.13 2e8p h ASP 87 CO 0.04 0.68 -0.24 -0.07 -3.12 0.00 0.00 179.24 176.54 2e8p h LEU 88 N 0.00 0.26 0.00 1.55 3.38 -1.04 -3.23 115.31 116.23 2e8p h LEU 88 Ca -0.03 -0.70 -0.14 0.00 0.09 0.00 0.00 57.88 57.10 2e8p h LEU 88 Cb 1.55 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.20 2e8p h LEU 88 CO 0.08 0.92 -0.74 0.71 0.09 0.00 0.00 178.44 179.51 2e8p h THR 89 N -0.38 1.01 -3.13 0.22 1.35 -1.48 -3.42 112.91 107.09 2e8p h THR 89 Ca -0.02 -2.47 -0.57 0.00 -0.55 0.00 0.00 66.41 62.80 2e8p h THR 89 Cb 0.93 2.48 -0.40 0.00 -1.73 0.00 0.00 68.15 69.43 2e8p h THR 89 CO 0.05 0.58 -0.76 -0.44 -0.25 0.00 0.00 175.52 174.70 2e8p s SER 90 N -6.43 3.80 -0.69 5.36 0.01 -0.31 -5.00 113.70 110.43 2e8p s SER 90 Ca 0.02 -1.46 -0.01 0.00 1.31 0.00 0.00 55.95 55.81 2e8p s SER 90 Cb 0.08 -0.76 0.41 0.00 0.21 0.00 0.00 66.02 65.97 2e8p s SER 90 CO 0.77 -0.40 1.91 -0.24 0.41 0.00 0.00 173.24 175.69 2e8p n SER 91 N 4.93 7.25 -0.66 2.44 2.88 -1.22 -3.90 113.62 125.35 2e8p n SER 91 Ca -0.04 -3.80 0.13 0.00 -1.33 0.00 0.00 58.87 53.83 2e8p n SER 91 Cb 0.43 -0.93 0.37 0.00 -0.75 0.00 0.00 64.21 63.33 2e8p n SER 91 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57