#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 0.00 -4.84 1.61 7.64 -1.26 -5.11 113.62 111.67 2e8p n SER 2 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 2e8p n SER 2 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 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 -3.52 6.86 0.00 6.43 0.01 -1.26 -5.01 113.70 117.21 2e8p s SER 3 Ca 0.00 1.24 0.00 0.00 1.31 0.00 0.00 55.95 58.50 2e8p s SER 3 Cb 0.00 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.88 2e8p s SER 3 CO 0.00 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2e8p n GLY 4 N 0.26 3.60 3.03 3.44 0.00 -1.26 -5.14 105.19 109.12 2e8p n GLY 4 Ca -0.01 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 2e8p n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e8p s SER 5 N 0.00 -0.22 -0.23 1.61 1.04 -1.26 -5.15 113.70 109.50 2e8p s SER 5 Ca 0.00 0.45 -0.11 0.00 0.48 0.00 0.00 55.95 56.77 2e8p s SER 5 Cb 0.00 0.36 0.08 0.00 0.10 0.00 0.00 66.02 66.56 2e8p s SER 5 CO 0.00 -0.14 0.54 -0.94 0.98 0.00 0.00 173.24 173.67 2e8p s SER 6 N 1.01 -0.70 -0.28 7.02 1.04 -1.26 -5.16 113.70 115.37 2e8p s SER 6 Ca -0.07 1.21 -0.24 0.00 0.48 0.00 0.00 55.95 57.33 2e8p s SER 6 Cb -0.09 1.30 0.10 0.00 0.10 0.00 0.00 66.02 67.44 2e8p s SER 6 CO -0.06 -0.22 0.91 -0.83 0.98 0.00 0.00 173.24 174.01 2e8p s GLY 7 N 1.92 -0.30 -0.38 7.32 0.00 -1.26 -5.05 107.32 109.58 2e8p s GLY 7 Ca -0.08 2.48 -0.17 0.00 0.00 0.00 0.00 44.72 46.96 2e8p s GLY 7 CO -0.16 1.89 0.46 -1.06 0.00 0.00 0.00 173.10 174.24 2e8p n GLN 8 N 2.60 -2.38 -3.53 2.90 1.13 -1.26 -5.03 117.38 111.80 2e8p n GLN 8 Ca -0.14 2.04 -0.21 0.00 -1.94 0.00 0.00 57.00 56.75 2e8p n GLN 8 Cb 0.56 -4.65 -0.14 0.00 0.11 0.00 0.00 30.24 26.12 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 -2.30 0.15 -0.08 -1.09 -1.94 -1.26 -5.14 119.30 107.65 2e8p s MET 9 Ca 0.21 0.10 0.04 0.00 -1.71 0.00 0.00 55.69 54.33 2e8p s MET 9 Cb -0.05 -1.40 -0.01 0.00 2.01 0.00 0.00 34.83 35.38 2e8p s MET 9 CO 0.75 -0.67 -0.20 0.45 -0.01 0.00 0.00 175.02 175.33 2e8p s SER 10 N 2.26 3.47 0.44 3.03 0.15 -1.26 -5.05 113.70 116.75 2e8p s SER 10 Ca 0.05 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.29 2e8p s SER 10 Cb -0.16 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.09 2e8p s SER 10 CO -0.12 0.24 0.00 0.18 1.20 0.00 0.00 173.24 174.74 2e8p n LEU 11 N 2.99 -0.83 -3.59 3.45 4.32 -1.26 -5.01 117.00 117.07 2e8p n LEU 11 Ca -0.18 1.87 -0.16 0.00 -0.02 0.00 0.00 56.01 57.53 2e8p n LEU 11 Cb 0.52 -4.65 -0.07 0.00 -1.62 0.00 0.00 43.42 37.61 2e8p n LEU 11 CO 0.27 -3.42 0.30 -0.70 -1.22 0.00 0.00 177.39 172.62 2e8p s GLU 12 N -2.90 0.95 0.00 3.23 2.12 -1.26 -4.96 118.70 115.88 2e8p s GLU 12 Ca 0.00 0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.39 2e8p s GLU 12 Cb 0.00 0.44 0.00 0.00 0.26 0.00 0.00 34.13 34.83 2e8p s GLU 12 CO 0.00 -0.30 0.00 0.41 -0.54 0.00 0.00 175.26 174.83 2e8p n GLY 13 N 0.93 1.38 2.93 -1.50 0.00 -1.26 -5.07 105.19 102.60 2e8p n GLY 13 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.00 2.96 -0.14 2.61 -4.23 -1.26 -5.07 115.64 108.50 2e8p s THR 14 Ca 0.00 -3.97 -0.02 0.00 -1.18 0.00 0.00 61.69 56.52 2e8p s THR 14 Cb 0.00 -2.96 -0.02 0.00 1.34 0.00 0.00 72.50 70.86 2e8p s THR 14 CO 0.00 -0.95 -0.07 -0.70 -0.54 0.00 0.00 174.62 172.36 2e8p s GLU 15 N -1.11 3.55 0.99 3.99 2.12 -1.26 -5.03 118.70 121.95 2e8p s GLU 15 Ca 0.23 -0.57 0.00 0.00 0.36 0.00 0.00 54.97 54.99 2e8p s GLU 15 Cb -0.11 -2.81 0.00 0.00 0.26 0.00 0.00 34.13 31.47 2e8p s GLU 15 CO -0.12 0.25 0.00 1.63 -0.54 0.00 0.00 175.26 176.49 2e8p n LYS 16 N 3.47 -1.33 -3.65 4.30 5.02 -1.26 -4.74 118.16 119.97 2e8p n LYS 16 Ca -0.18 0.88 -0.37 0.00 -2.02 0.00 0.00 58.31 56.62 2e8p n LYS 16 Cb 0.53 -1.62 -0.07 0.00 -0.02 0.00 0.00 35.03 33.85 2e8p n LYS 16 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2e8p s ALA 17 N -1.98 3.71 0.41 7.82 0.00 -1.26 -4.96 121.76 125.51 2e8p s ALA 17 Ca 0.00 -0.47 0.39 0.00 0.00 0.00 0.00 51.96 51.88 2e8p s ALA 17 Cb 0.00 -2.24 2.05 0.00 0.00 0.00 0.00 23.12 22.93 2e8p s ALA 17 CO 0.00 0.36 2.19 0.77 0.00 0.00 0.00 175.76 179.07 2e8p h SER 18 N 5.64 0.00 -0.29 0.00 0.02 -1.96 0.17 113.55 117.14 2e8p h SER 18 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 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 0.67 0.00 0.00 -2.67 -1.14 0.00 0.00 176.83 173.69 2e8p n TRP 19 N -2.91 0.89 -3.80 3.45 4.27 -1.26 -4.92 117.44 113.17 2e8p n TRP 19 Ca -0.02 -0.80 -0.36 0.00 -3.89 0.00 0.00 57.50 52.43 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 -2.47 3.56 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 53.36 2e8p s LEU 20 Cb 0.30 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.57 2e8p s LEU 20 CO 0.10 0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.30 2e8p n GLY 21 N 4.68 2.47 3.30 -3.19 0.00 -1.26 -4.80 105.19 106.38 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 -0.35 1.73 0.93 1.61 2.56 -1.26 -5.11 118.70 118.81 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 -1.83 0.15 0.00 2.00 0.00 0.00 34.13 34.45 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 1.99 -0.56 0.00 4.30 6.02 -1.26 -4.87 117.38 122.99 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 0.33 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 -4.17 0.07 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 63.83 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 -1.36 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 -0.35 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 -3.00 3.11 -3.71 2.96 3.01 -0.95 -2.94 117.46 115.94 2e8p n PHE 26 Ca -0.02 -2.68 -0.22 0.00 1.01 0.00 0.00 57.45 55.53 2e8p n PHE 26 Cb 0.72 -0.73 -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 3.46 0.32 1.38 0.52 -1.25 -4.84 118.94 114.77 2e8p s TRP 27 Ca 0.53 0.13 0.08 0.00 0.02 0.00 0.00 56.10 56.85 2e8p s TRP 27 Cb 0.44 -1.72 -0.03 0.00 -1.15 0.00 0.00 33.47 31.01 2e8p s TRP 27 CO -0.16 0.29 0.25 -1.12 0.02 0.00 0.00 176.95 176.23 2e8p s SER 28 N -4.01 5.23 0.56 2.95 0.01 -0.63 -2.99 113.70 114.82 2e8p s SER 28 Ca 0.37 -0.49 0.28 0.00 1.31 0.00 0.00 55.95 57.42 2e8p s SER 28 Cb -0.09 -1.02 1.47 0.00 0.21 0.00 0.00 66.02 66.59 2e8p s SER 28 CO 0.32 -0.28 1.97 0.11 0.41 0.00 0.00 173.24 175.77 2e8p h LYS 29 N 1.35 0.00 0.11 12.44 1.57 -1.78 -1.26 116.57 129.00 2e8p h LYS 29 Ca -0.45 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.11 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 0.59 0.00 -1.06 1.15 -0.57 0.00 0.00 179.45 179.56 2e8p h THR 30 N 0.00 1.26 -0.58 -0.16 2.02 -1.91 -3.31 112.91 110.23 2e8p h THR 30 Ca 0.23 -2.43 0.09 0.00 0.77 0.00 0.00 66.41 65.07 2e8p h THR 30 Cb 1.06 2.91 -0.07 0.00 -1.74 0.00 0.00 68.15 70.32 2e8p h THR 30 CO -0.00 0.67 0.21 1.56 0.37 0.00 0.00 175.52 178.33 2e8p h GLN 31 N -0.44 0.37 0.10 6.66 4.20 -1.58 0.48 115.11 124.90 2e8p h GLN 31 Ca -0.22 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.47 2e8p h GLN 31 Cb 1.62 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.30 2e8p h GLN 31 CO 0.07 0.25 -0.19 0.28 -0.67 0.00 0.00 178.83 178.57 2e8p h VAL 32 N 0.38 0.00 -0.48 -0.54 2.07 -1.46 0.22 116.25 116.44 2e8p h VAL 32 Ca 0.29 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.95 2e8p h VAL 32 Cb 0.35 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 2e8p h VAL 32 CO -0.29 0.00 0.35 -0.07 0.02 0.00 0.00 177.57 177.58 2e8p h LEU 33 N -0.31 0.00 -0.87 2.57 3.38 -1.61 0.26 115.31 118.73 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 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2e8p h LEU 33 CO -0.07 0.00 -0.48 0.44 0.09 0.00 0.00 178.44 178.42 2e8p h ASP 34 N 0.00 0.00 0.86 -0.43 5.19 -0.00 -3.05 116.42 118.99 2e8p h ASP 34 Ca 0.23 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.41 2e8p h ASP 34 Cb 0.93 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.42 2e8p h ASP 34 CO -0.00 0.48 -1.13 -0.25 -3.12 0.00 0.00 179.24 175.22 2e8p h TRP 35 N 0.00 0.11 0.19 4.55 7.01 0.27 -3.33 115.95 124.76 2e8p h TRP 35 Ca -0.00 -0.08 -0.01 0.00 2.11 0.00 0.00 58.89 60.90 2e8p h TRP 35 Cb 0.98 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.04 2e8p h TRP 35 CO 0.00 1.07 -0.09 0.82 -2.79 0.00 0.00 178.44 177.45 2e8p h ILE 36 N 0.02 0.84 -0.95 2.65 2.04 -1.23 -2.54 117.51 118.34 2e8p h ILE 36 Ca -0.07 -0.12 0.22 0.00 1.00 0.00 0.00 64.86 65.89 2e8p h ILE 36 Cb 1.84 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 38.77 2e8p h ILE 36 CO 0.14 0.03 0.62 -1.28 0.00 0.00 0.00 178.15 177.66 2e8p h SER 37 N -0.31 0.45 -0.36 1.72 0.87 -1.67 0.31 113.55 114.56 2e8p h SER 37 Ca -0.03 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2e8p h SER 37 Cb 0.24 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 2e8p h SER 37 CO 0.04 0.16 0.17 0.22 -0.53 0.00 0.00 176.83 176.89 2e8p h TYR 38 N 0.43 0.51 0.00 2.24 3.20 -1.56 0.07 116.97 121.86 2e8p h TYR 38 Ca 0.51 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.29 2e8p h TYR 38 Cb 1.23 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 2e8p h TYR 38 CO -0.00 0.43 -0.30 1.96 -1.64 0.00 0.00 178.16 178.62 2e8p h GLN 39 N 0.44 0.00 0.00 1.82 1.08 -0.81 -2.27 115.11 115.37 2e8p h GLN 39 Ca 0.12 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.18 2e8p h GLN 39 Cb 0.11 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 2e8p h GLN 39 CO -0.02 0.30 -0.67 0.28 -0.95 0.00 0.00 178.83 177.77 2e8p h VAL 40 N 0.00 1.25 0.00 -0.54 2.07 -0.10 -2.34 116.25 116.59 2e8p h VAL 40 Ca -0.00 -2.50 -0.16 0.00 0.82 0.00 0.00 66.70 64.86 2e8p h VAL 40 Cb 1.10 2.44 -0.03 0.00 -1.52 0.00 0.00 31.29 33.28 2e8p h VAL 40 CO 0.04 0.65 -1.39 1.21 0.02 0.00 0.00 177.57 178.11 2e8p n GLU 41 N -3.41 0.62 0.06 1.57 4.07 -0.02 -1.82 120.64 121.70 2e8p n GLU 41 Ca 0.00 0.22 -0.20 0.00 -0.06 0.00 0.00 57.16 57.12 2e8p n GLU 41 Cb 0.75 -1.81 -0.13 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 0.45 -0.00 5.31 1.63 -1.43 -3.21 116.57 119.32 2e8p h LYS 42 Ca -0.15 -0.62 0.00 0.00 -0.85 0.00 0.00 60.65 59.02 2e8p h LYS 42 Cb 1.55 0.21 0.00 0.00 -0.60 0.00 0.00 32.23 33.39 2e8p h LYS 42 CO 0.04 1.26 -0.00 0.09 -3.45 0.00 0.00 179.45 177.39 2e8p n ASN 43 N -4.02 0.08 -1.41 4.20 3.02 -0.88 -4.87 115.26 111.37 2e8p n ASN 43 Ca -0.13 -0.80 -0.18 0.00 -0.03 0.00 0.00 54.58 53.45 2e8p n ASN 43 Cb 0.85 -0.07 -0.07 0.00 -0.61 0.00 0.00 39.78 39.88 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 -1.02 -1.23 -1.80 3.52 5.02 -1.21 -4.92 118.16 116.51 2e8p n LYS 44 Ca 0.21 1.09 -0.42 0.00 -2.02 0.00 0.00 58.31 57.18 2e8p n LYS 44 Cb 0.16 -5.36 -0.02 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 2.86 0.55 2.13 5.04 -0.76 -4.86 117.35 119.64 2e8p s TYR 45 Ca 0.00 0.65 0.28 0.00 -2.44 0.00 0.00 57.07 55.57 2e8p s TYR 45 Cb 0.00 -4.05 1.45 0.00 0.35 0.00 0.00 41.96 39.71 2e8p s TYR 45 CO 0.00 -3.71 1.94 0.22 -1.34 0.00 0.00 175.55 172.66 2e8p h ASP 46 N 5.67 0.00 -1.65 4.32 3.58 -1.91 -3.45 116.42 122.98 2e8p h ASP 46 Ca -0.45 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 56.65 2e8p h ASP 46 Cb 1.21 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.19 2e8p h ASP 46 CO 0.86 0.00 -0.38 0.00 -2.88 0.00 0.00 179.24 176.84 2e8p n ALA 47 N -2.60 -0.39 -1.35 -0.78 0.00 -1.26 -4.87 120.51 109.26 2e8p n ALA 47 Ca 0.12 0.20 -0.08 0.00 0.00 0.00 0.00 53.44 53.68 2e8p n ALA 47 Cb 0.74 -1.83 0.20 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.01 2.97 0.00 0.00 7.64 -1.26 -4.52 113.62 117.43 2e8p n SER 48 Ca -0.19 -3.67 0.00 0.00 1.01 0.00 0.00 58.87 56.02 2e8p n SER 48 Cb 0.61 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 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 -1.05 2.14 -1.63 -0.43 0.00 -1.26 -5.10 120.51 113.19 2e8p n ALA 49 Ca 0.39 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.42 2e8p n ALA 49 Cb 1.20 0.06 0.01 0.00 0.00 0.00 0.00 19.45 20.73 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 -1.76 2.56 -3.65 0.00 5.41 -1.26 -4.80 119.36 115.85 2e8p n ILE 50 Ca 0.00 -0.50 -0.39 0.00 1.00 0.00 0.00 62.75 62.86 2e8p n ILE 50 Cb 0.06 -1.22 -0.12 0.00 -0.71 0.00 0.00 39.64 37.65 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 -0.74 5.55 -0.45 4.38 1.11 -1.07 -4.98 116.67 120.46 2e8p s ASP 51 Ca 0.64 -0.62 -0.03 0.00 0.18 0.00 0.00 52.55 52.72 2e8p s ASP 51 Cb -0.54 -2.00 0.17 0.00 1.07 0.00 0.00 42.92 41.62 2e8p s ASP 51 CO 0.56 -0.23 2.40 0.49 1.18 0.00 0.00 175.17 179.58 2e8p n PHE 52 N 4.98 1.82 0.00 4.23 3.72 -1.26 -3.99 117.46 126.96 2e8p n PHE 52 Ca -0.14 -2.08 0.00 0.00 -0.05 0.00 0.00 57.45 55.19 2e8p n PHE 52 Cb 0.48 -1.23 0.00 0.00 -0.94 0.00 0.00 39.48 37.79 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 0.44 0.23 0.17 4.37 7.64 -1.26 -4.84 113.62 120.37 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 0.23 0.00 -1.01 0.00 0.00 64.21 63.98 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 -5.07 1.43 3.08 -1.95 -3.38 114.38 108.49 2e8p h ARG 54 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 2e8p h ARG 54 Cb 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 2e8p h ARG 54 CO 0.00 0.42 1.99 0.00 -1.07 0.00 0.00 179.97 181.31 2e8p n ASP 56 N 9.86 3.08 -4.69 0.00 2.03 -1.26 -4.93 116.55 120.63 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 -0.35 -0.03 0.00 -0.72 0.00 0.00 41.12 40.46 2e8p n ASP 56 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2e8p s MET 57 N -1.30 4.27 -0.03 -0.67 -1.94 -1.26 -4.92 119.30 113.45 2e8p s MET 57 Ca 0.39 2.02 -0.21 0.00 -1.71 0.00 0.00 55.69 56.18 2e8p s MET 57 Cb 0.21 -3.56 -0.31 0.00 2.01 0.00 0.00 34.83 33.18 2e8p s MET 57 CO 0.27 -0.59 0.94 0.38 -0.01 0.00 0.00 175.02 176.01 2e8p h ASP 58 N 7.85 0.54 0.00 3.03 3.04 -1.85 -3.41 116.42 125.61 2e8p h ASP 58 Ca -0.39 -0.92 0.00 0.00 -3.24 0.00 0.00 57.03 52.48 2e8p h ASP 58 Cb 1.18 -0.17 0.00 0.00 -1.04 0.00 0.00 39.33 39.30 2e8p h ASP 58 CO 0.90 1.42 0.00 0.61 -2.04 0.00 0.00 179.24 180.13 2e8p n GLY 59 N 1.59 -1.00 0.20 7.15 0.00 -1.16 -1.60 105.19 110.36 2e8p n GLY 59 Ca -0.14 0.36 0.05 0.00 0.00 0.00 0.00 46.02 46.29 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 1.20 0.00 4.61 0.00 -1.68 -2.64 119.26 120.74 2e8p h ALA 60 Ca 0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 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 0.44 -0.46 1.15 0.00 0.00 0.00 179.25 180.37 2e8p h THR 61 N 0.00 0.92 -0.00 0.00 2.02 -1.90 -2.49 112.91 111.46 2e8p h THR 61 Ca -0.00 -1.92 -0.00 0.00 0.77 0.00 0.00 66.41 65.26 2e8p h THR 61 Cb 0.72 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 2e8p h THR 61 CO 0.05 0.46 -0.00 0.25 0.37 0.00 0.00 175.52 176.64 2e8p h LEU 62 N 0.00 0.00 -1.53 2.58 5.85 -1.80 -1.49 115.31 118.92 2e8p h LEU 62 Ca -0.00 -0.73 -0.05 0.00 0.84 0.00 0.00 57.88 57.93 2e8p h LEU 62 Cb 1.15 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2e8p h LEU 62 CO 0.06 0.74 -0.22 0.00 -0.34 0.00 0.00 178.44 178.68 2e8p h ASN 64 N 0.00 0.00 -2.43 0.00 2.35 -1.48 -3.47 115.58 110.56 2e8p h ASN 64 Ca -0.00 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.28 2e8p h ASN 64 Cb 0.52 0.00 0.23 0.00 0.05 0.00 0.00 38.32 39.13 2e8p h ASN 64 CO 0.03 0.63 -1.04 0.00 -1.65 0.00 0.00 177.43 175.40 2e8p s ALA 66 N -2.25 3.81 0.09 0.00 0.00 -1.26 -5.00 121.76 117.15 2e8p s ALA 66 Ca 0.56 -1.24 -0.32 0.00 0.00 0.00 0.00 51.96 50.96 2e8p s ALA 66 Cb -0.13 -1.58 -0.14 0.00 0.00 0.00 0.00 23.12 21.27 2e8p s ALA 66 CO 0.66 0.33 1.51 1.25 0.00 0.00 0.00 175.76 179.52 2e8p h LEU 67 N 1.59 -1.44 -1.14 0.00 5.85 -1.98 -1.37 115.31 116.81 2e8p h LEU 67 Ca -0.50 0.14 0.19 0.00 0.84 0.00 0.00 57.88 58.55 2e8p h LEU 67 Cb 1.22 0.52 -0.09 0.00 0.37 0.00 0.00 40.66 42.68 2e8p h LEU 67 CO 0.63 -0.54 0.61 1.05 -0.34 0.00 0.00 178.44 179.85 2e8p h GLU 68 N -0.75 0.68 0.28 1.25 4.11 -1.98 -1.75 114.58 116.41 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 0.73 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2e8p h GLU 68 CO -0.22 0.45 -0.31 0.93 0.07 0.00 0.00 179.01 179.93 2e8p h GLU 69 N 0.70 -0.61 -0.16 1.06 5.08 -1.69 -0.90 114.58 118.06 2e8p h GLU 69 Ca 0.54 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.99 2e8p h GLU 69 Cb 0.93 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2e8p h GLU 69 CO -0.32 -0.41 0.17 -0.07 -1.00 0.00 0.00 179.01 177.39 2e8p h LEU 70 N -0.63 0.00 -0.09 1.33 3.38 -0.46 0.25 115.31 119.09 2e8p h LEU 70 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2e8p h LEU 70 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2e8p h LEU 70 CO -0.08 0.00 -0.18 0.03 0.09 0.00 0.00 178.44 178.30 2e8p h ARG 71 N 0.00 0.00 0.00 1.13 3.08 -0.71 -0.38 114.38 117.51 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 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2e8p h ARG 71 CO -0.00 0.18 -1.03 1.28 -1.07 0.00 0.00 179.97 179.33 2e8p n LEU 72 N -3.15 0.63 -0.08 3.04 4.77 0.74 -2.00 117.00 120.95 2e8p n LEU 72 Ca 0.03 0.10 -0.07 0.00 -0.03 0.00 0.00 56.01 56.05 2e8p n LEU 72 Cb 0.59 -0.10 -0.15 0.00 -2.33 0.00 0.00 43.42 41.43 2e8p n LEU 72 CO 0.36 -0.03 -1.07 0.52 -1.33 0.00 0.00 177.39 175.85 2e8p n VAL 73 N -2.17 1.12 -1.32 4.08 0.31 -0.46 -4.47 118.33 115.41 2e8p n VAL 73 Ca 0.01 -0.76 0.08 0.00 -0.01 0.00 0.00 64.34 63.67 2e8p n VAL 73 Cb 0.47 -0.42 0.16 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 -2.63 0.00 -4.94 3.52 3.72 -0.16 -2.61 117.46 114.36 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 1.04 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 39.40 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 1.04 0.00 1.37 0.00 -0.85 -2.34 105.19 103.18 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 0.17 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 0.39 0.51 1.23 -0.34 0.00 0.00 178.44 180.23 2e8p h GLY 78 N 2.58 1.55 0.40 3.75 0.00 -1.51 0.15 103.07 109.99 2e8p h GLY 78 Ca -0.00 -0.30 0.23 0.00 0.00 0.00 0.00 47.33 47.26 2e8p h GLY 78 CO 0.05 -0.03 0.58 -1.80 0.00 0.00 0.00 176.54 175.33 2e8p h ASP 79 N 0.70 0.01 0.37 0.19 3.58 -1.80 0.30 116.42 119.76 2e8p h ASP 79 Ca 0.51 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.64 2e8p h ASP 79 Cb 0.73 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.75 2e8p h ASP 79 CO -0.37 0.00 -1.77 1.56 -2.88 0.00 0.00 179.24 175.78 2e8p h GLN 80 N 0.01 0.13 -0.29 0.28 1.08 -0.96 -3.31 115.11 112.05 2e8p h GLN 80 Ca 0.38 -0.22 -0.12 0.00 -1.45 0.00 0.00 58.65 57.24 2e8p h GLN 80 Cb 1.52 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 29.02 2e8p h GLN 80 CO -0.01 0.85 -0.31 -0.07 -0.95 0.00 0.00 178.83 178.34 2e8p h LEU 81 N 0.04 0.63 -0.14 1.46 3.38 0.05 -3.12 115.31 117.59 2e8p h LEU 81 Ca -0.32 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 2e8p h LEU 81 Cb 2.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 2e8p h LEU 81 CO 0.10 0.90 0.05 -0.74 0.09 0.00 0.00 178.44 178.83 2e8p h HIS 82 N 0.52 0.22 -0.96 1.13 2.76 -0.67 -1.72 115.15 116.43 2e8p h HIS 82 Ca 0.06 -0.02 0.19 0.00 -2.20 0.00 0.00 60.37 58.40 2e8p h HIS 82 Cb 0.79 -0.07 -0.09 0.00 1.55 0.00 0.00 27.41 29.60 2e8p h HIS 82 CO 0.03 0.32 0.61 0.00 -1.30 0.00 0.00 177.93 177.59 2e8p h ALA 83 N 0.88 1.90 0.16 5.26 0.00 -1.63 0.43 119.26 126.25 2e8p h ALA 83 Ca 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2e8p h ALA 83 Cb 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2e8p h ALA 83 CO -0.00 -0.22 -0.08 1.96 0.00 0.00 0.00 179.25 180.92 2e8p h GLN 84 N 0.63 -0.20 -0.45 0.00 1.08 -1.44 -3.16 115.11 111.57 2e8p h GLN 84 Ca 0.52 0.01 0.13 0.00 -1.45 0.00 0.00 58.65 57.87 2e8p h GLN 84 Cb 0.98 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.43 2e8p h GLN 84 CO -0.28 0.24 0.35 -0.07 -0.95 0.00 0.00 178.83 178.12 2e8p h LEU 85 N -0.81 0.00 -1.10 1.46 3.38 -0.69 0.18 115.31 117.72 2e8p h LEU 85 Ca -0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2e8p h LEU 85 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2e8p h LEU 85 CO 0.04 0.00 -0.31 0.03 0.09 0.00 0.00 178.44 178.28 2e8p h ARG 86 N 0.00 0.24 0.02 1.13 3.08 -0.91 -2.06 114.38 115.88 2e8p h ARG 86 Ca 0.21 -0.09 -0.25 0.00 0.07 0.00 0.00 59.98 59.92 2e8p h ARG 86 Cb 0.92 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.92 2e8p h ARG 86 CO -0.00 0.53 -1.31 -0.44 -1.07 0.00 0.00 179.97 177.68 2e8p h ASP 87 N 0.21 0.05 0.11 7.04 5.19 -0.67 -3.26 116.42 125.09 2e8p h ASP 87 Ca 0.03 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 2e8p h ASP 87 Cb 0.66 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.16 2e8p h ASP 87 CO 0.05 1.06 -0.05 -0.07 -3.12 0.00 0.00 179.24 177.10 2e8p h LEU 88 N 0.01 -0.13 -2.12 1.55 3.38 -1.06 -2.95 115.31 113.99 2e8p h LEU 88 Ca -0.14 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.60 2e8p h LEU 88 Cb 1.89 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.66 2e8p h LEU 88 CO 0.12 0.22 0.13 0.71 0.09 0.00 0.00 178.44 179.71 2e8p h THR 89 N -0.49 0.75 -2.56 0.22 1.35 -1.53 -3.33 112.91 107.32 2e8p h THR 89 Ca -0.02 0.00 -0.66 0.00 -0.55 0.00 0.00 66.41 65.18 2e8p h THR 89 Cb 0.40 0.90 -0.16 0.00 -1.73 0.00 0.00 68.15 67.56 2e8p h THR 89 CO 0.03 0.00 0.63 -0.94 -0.25 0.00 0.00 175.52 174.98 2e8p s SER 90 N -6.45 6.38 -0.17 5.36 1.04 -1.11 -4.67 113.70 114.08 2e8p s SER 90 Ca -0.05 -1.52 -0.12 0.00 0.48 0.00 0.00 55.95 54.75 2e8p s SER 90 Cb 0.17 -2.40 0.04 0.00 0.10 0.00 0.00 66.02 63.94 2e8p s SER 90 CO 0.64 -1.24 0.23 -1.20 0.98 0.00 0.00 173.24 172.65 2e8p n SER 91 N 7.03 -0.76 0.00 7.02 7.64 -1.26 -4.90 113.62 128.39 2e8p n SER 91 Ca 0.08 1.31 0.00 0.00 1.01 0.00 0.00 58.87 61.27 2e8p n SER 91 Cb 0.47 -5.07 0.00 0.00 -1.01 0.00 0.00 64.21 58.60 2e8p n SER 91 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49