#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 -7.75 -4.71 1.61 2.88 -1.26 -4.69 113.62 99.71 2e8p n SER 2 Ca 0.00 0.61 -0.42 0.00 -1.33 0.00 0.00 58.87 57.73 2e8p n SER 2 Cb 0.00 -4.00 -0.03 0.00 -0.75 0.00 0.00 64.21 59.43 2e8p n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2e8p s SER 3 N -6.72 6.49 -0.30 -3.46 0.01 -1.26 -4.96 113.70 103.50 2e8p s SER 3 Ca 0.00 2.70 -0.14 0.00 1.31 0.00 0.00 55.95 59.82 2e8p s SER 3 Cb 0.00 -2.58 0.18 0.00 0.21 0.00 0.00 66.02 63.82 2e8p s SER 3 CO 0.00 -0.92 1.08 -0.83 0.41 0.00 0.00 173.24 172.98 2e8p s GLY 4 N 1.76 -0.32 0.00 3.44 0.00 -1.26 -5.04 107.32 105.90 2e8p s GLY 4 Ca 0.75 2.81 0.05 0.00 0.00 0.00 0.00 44.72 48.33 2e8p s GLY 4 CO 0.33 3.85 0.94 -1.14 0.00 0.00 0.00 173.10 177.08 2e8p n SER 5 N 5.47 -0.32 -4.68 1.64 3.41 -1.26 -5.04 113.62 112.84 2e8p n SER 5 Ca -0.07 -1.81 -0.45 0.00 -0.26 0.00 0.00 58.87 56.29 2e8p n SER 5 Cb 0.54 0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.54 2e8p n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2e8p n SER 6 N 0.10 3.05 0.00 4.04 7.64 -1.26 -4.82 113.62 122.38 2e8p n SER 6 Ca -0.14 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.87 2e8p n SER 6 Cb 0.75 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 2e8p n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e8p n GLY 7 N 2.63 0.00 3.58 0.23 0.00 -1.26 -5.15 105.19 105.22 2e8p n GLY 7 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 2e8p n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2e8p s GLN 8 N 0.00 0.58 -0.05 1.61 -1.52 -1.26 -5.03 119.66 113.99 2e8p s GLN 8 Ca 0.00 1.39 0.14 0.00 -1.95 0.00 0.00 55.36 54.94 2e8p s GLN 8 Cb 0.00 0.83 0.25 0.00 -0.22 0.00 0.00 33.01 33.87 2e8p s GLN 8 CO 0.00 -0.26 1.12 -0.12 -0.25 0.00 0.00 175.29 175.78 2e8p n MET 9 N 5.44 0.23 -2.33 2.91 1.56 -1.26 -4.93 117.12 118.74 2e8p n MET 9 Ca -0.10 -1.62 -0.23 0.00 -0.27 0.00 0.00 57.70 55.48 2e8p n MET 9 Cb 0.49 0.13 0.01 0.00 2.15 0.00 0.00 33.22 36.01 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 0.04 4.37 0.18 6.12 7.64 -1.26 -4.77 113.62 125.95 2e8p n SER 10 Ca -0.10 -3.56 0.06 0.00 1.01 0.00 0.00 58.87 56.28 2e8p n SER 10 Cb 0.91 -0.42 0.26 0.00 -1.01 0.00 0.00 64.21 63.95 2e8p n SER 10 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2e8p h LEU 11 N 2.46 0.00 -8.46 -3.43 -0.00 -2.04 -3.45 115.31 100.38 2e8p h LEU 11 Ca 0.27 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.93 2e8p h LEU 11 Cb 1.20 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 41.71 2e8p h LEU 11 CO 0.75 0.36 -0.69 -1.61 -0.00 0.00 0.00 178.44 177.25 2e8p s GLU 12 N -3.38 0.86 0.00 1.13 2.02 -1.26 -5.10 118.70 112.97 2e8p s GLU 12 Ca 0.02 -1.36 0.00 0.00 0.02 0.00 0.00 54.97 53.65 2e8p s GLU 12 Cb 0.09 -0.16 0.00 0.00 0.10 0.00 0.00 34.13 34.16 2e8p s GLU 12 CO 0.69 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 176.33 2e8p n GLY 13 N -0.06 -1.90 3.53 -1.39 0.00 -1.26 -5.15 105.19 98.95 2e8p n GLY 13 Ca -0.11 0.87 -0.13 0.00 0.00 0.00 0.00 46.02 46.64 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 -0.08 2.61 -1.32 -1.26 -5.16 115.64 110.43 2e8p s THR 14 Ca 0.00 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 2e8p s THR 14 Cb 0.00 -0.87 0.01 0.00 -1.51 0.00 0.00 72.50 70.13 2e8p s THR 14 CO 0.00 0.00 -0.16 -1.61 -2.21 0.00 0.00 174.62 170.64 2e8p s GLU 15 N 0.46 2.21 0.89 7.08 0.41 -1.26 -5.07 118.70 123.42 2e8p s GLU 15 Ca -0.01 -0.58 0.00 0.00 -0.41 0.00 0.00 54.97 53.97 2e8p s GLU 15 Cb -0.05 -1.77 0.00 0.00 -1.78 0.00 0.00 34.13 30.54 2e8p s GLU 15 CO -0.01 0.06 0.00 1.17 -0.49 0.00 0.00 175.26 175.99 2e8p n LYS 16 N 3.78 -1.51 -3.69 1.61 3.00 -1.26 -4.79 118.16 115.30 2e8p n LYS 16 Ca -0.21 1.00 -0.37 0.00 -0.00 0.00 0.00 58.31 58.73 2e8p n LYS 16 Cb 0.52 -1.85 -0.06 0.00 0.00 0.00 0.00 35.03 33.64 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 3.75 0.38 3.14 0.00 -1.26 -4.96 121.76 120.85 2e8p s ALA 17 Ca 0.00 -0.50 0.38 0.00 0.00 0.00 0.00 51.96 51.84 2e8p s ALA 17 Cb 0.00 -2.19 2.01 0.00 0.00 0.00 0.00 23.12 22.94 2e8p s ALA 17 CO 0.00 0.41 2.16 0.66 0.00 0.00 0.00 175.76 179.00 2e8p h SER 18 N 5.49 0.00 -0.30 0.00 4.64 -1.96 0.15 113.55 121.57 2e8p h SER 18 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2e8p h SER 18 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2e8p h SER 18 CO 0.65 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.94 2e8p n TRP 19 N -2.88 0.90 -3.69 4.77 4.27 -1.26 -4.93 117.44 114.62 2e8p n TRP 19 Ca -0.02 -0.79 -0.37 0.00 -3.89 0.00 0.00 57.50 52.43 2e8p n TRP 19 Cb 0.10 -0.26 -0.11 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 -2.43 3.91 0.00 5.67 1.43 0.04 -4.27 118.68 123.03 2e8p s LEU 20 Ca 0.39 -0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 2e8p s LEU 20 Cb 0.30 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.46 2e8p s LEU 20 CO 0.11 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.31 2e8p n GLY 21 N 4.64 2.47 3.30 -3.19 0.00 -1.26 -4.83 105.19 106.32 2e8p n GLY 21 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 1.72 0.93 1.61 2.56 -1.26 -5.13 118.70 118.80 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 -1.83 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 1.96 -0.55 0.00 4.30 6.02 -1.26 -4.87 117.38 122.97 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 -4.16 0.07 0.10 -1.09 -0.04 -1.26 -2.25 135.00 126.36 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 32.47 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 -1.38 0.54 4.20 -1.90 -3.35 115.11 113.23 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 0.32 0.08 1.19 -0.67 0.00 0.00 178.83 179.75 2e8p n PHE 26 N -3.02 3.11 -3.77 2.96 3.01 -0.95 -2.77 117.46 116.04 2e8p n PHE 26 Ca -0.03 -2.68 -0.27 0.00 1.01 0.00 0.00 57.45 55.49 2e8p n PHE 26 Cb 0.74 -0.73 -0.03 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 3.48 0.40 1.38 0.52 -1.25 -4.84 118.94 114.87 2e8p s TRP 27 Ca 0.53 0.26 0.08 0.00 0.02 0.00 0.00 56.10 56.99 2e8p s TRP 27 Cb 0.44 -1.79 0.00 0.00 -1.15 0.00 0.00 33.47 30.97 2e8p s TRP 27 CO -0.17 0.41 0.54 -1.12 0.02 0.00 0.00 176.95 176.63 2e8p s SER 28 N -3.25 5.71 0.56 2.95 0.01 -0.83 -2.76 113.70 116.08 2e8p s SER 28 Ca 0.37 -0.38 0.24 0.00 1.31 0.00 0.00 55.95 57.49 2e8p s SER 28 Cb -0.11 -0.79 1.54 0.00 0.21 0.00 0.00 66.02 66.88 2e8p s SER 28 CO 0.29 -0.68 2.16 0.11 0.41 0.00 0.00 173.24 175.53 2e8p h LYS 29 N 0.71 0.00 0.18 12.44 1.57 -1.71 -1.94 116.57 127.82 2e8p h LYS 29 Ca -0.41 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.02 2e8p h LYS 29 Cb 1.27 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.59 2e8p h LYS 29 CO 0.47 0.00 -1.70 1.15 -0.57 0.00 0.00 179.45 178.81 2e8p h THR 30 N 0.00 1.00 -0.42 -0.16 2.02 -1.87 -3.32 112.91 110.15 2e8p h THR 30 Ca 0.04 -2.58 0.04 0.00 0.77 0.00 0.00 66.41 64.68 2e8p h THR 30 Cb 0.19 2.78 -0.04 0.00 -1.74 0.00 0.00 68.15 69.35 2e8p h THR 30 CO -0.00 0.85 0.20 1.56 0.37 0.00 0.00 175.52 178.50 2e8p h GLN 31 N 0.10 0.40 0.18 6.66 4.20 -1.69 -0.90 115.11 124.07 2e8p h GLN 31 Ca -0.32 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.36 2e8p h GLN 31 Cb 2.09 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.76 2e8p h GLN 31 CO 0.18 0.26 -0.30 0.28 -0.67 0.00 0.00 178.83 178.59 2e8p h VAL 32 N 0.41 0.00 -0.53 -0.54 2.07 -1.55 0.21 116.25 116.33 2e8p h VAL 32 Ca 0.18 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.86 2e8p h VAL 32 Cb 0.10 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 2e8p h VAL 32 CO -0.14 0.00 0.41 -0.07 0.02 0.00 0.00 177.57 177.80 2e8p h LEU 33 N -0.51 0.00 -0.51 2.57 3.38 -1.64 0.26 115.31 118.86 2e8p h LEU 33 Ca -0.02 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 2e8p h LEU 33 Cb 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2e8p h LEU 33 CO -0.10 0.00 -0.73 0.44 0.09 0.00 0.00 178.44 178.14 2e8p h ASP 34 N 0.00 0.14 0.61 -0.43 5.19 -0.08 -3.15 116.42 118.69 2e8p h ASP 34 Ca 0.25 -0.10 -0.19 0.00 -0.62 0.00 0.00 57.03 56.37 2e8p h ASP 34 Cb 1.07 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.53 2e8p h ASP 34 CO -0.00 0.82 -0.85 -0.25 -3.12 0.00 0.00 179.24 175.84 2e8p h TRP 35 N 0.07 0.24 0.16 4.55 7.01 0.27 -3.29 115.95 124.96 2e8p h TRP 35 Ca -0.02 -0.13 -0.01 0.00 2.11 0.00 0.00 58.89 60.84 2e8p h TRP 35 Cb 1.29 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 28.33 2e8p h TRP 35 CO 0.01 0.93 -0.08 0.82 -2.79 0.00 0.00 178.44 177.34 2e8p h ILE 36 N 0.09 0.87 -0.95 2.65 2.04 -1.29 -2.51 117.51 118.41 2e8p h ILE 36 Ca -0.04 -0.09 0.21 0.00 1.00 0.00 0.00 64.86 65.95 2e8p h ILE 36 Cb 1.47 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 38.39 2e8p h ILE 36 CO 0.13 0.02 0.62 -1.28 0.00 0.00 0.00 178.15 177.63 2e8p h SER 37 N -0.25 0.50 -0.31 1.72 0.87 -1.63 0.30 113.55 114.76 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 0.20 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2e8p h SER 37 CO 0.04 0.18 0.16 0.22 -0.53 0.00 0.00 176.83 176.90 2e8p h TYR 38 N 0.48 0.42 0.00 2.24 3.20 -1.52 0.14 116.97 121.94 2e8p h TYR 38 Ca 0.51 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.32 2e8p h TYR 38 Cb 1.17 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 2e8p h TYR 38 CO -0.00 0.36 -0.26 1.96 -1.64 0.00 0.00 178.16 178.57 2e8p h GLN 39 N 0.37 0.00 0.00 1.82 1.08 -0.84 -1.96 115.11 115.58 2e8p h GLN 39 Ca 0.11 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.15 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 0.26 -0.77 0.28 -0.95 0.00 0.00 178.83 177.64 2e8p h VAL 40 N 0.00 1.33 0.00 -0.54 2.07 -0.06 -3.03 116.25 116.03 2e8p h VAL 40 Ca -0.00 -2.84 -0.16 0.00 0.82 0.00 0.00 66.70 64.51 2e8p h VAL 40 Cb 1.03 2.63 -0.03 0.00 -1.52 0.00 0.00 31.29 33.41 2e8p h VAL 40 CO 0.03 0.75 -1.37 -0.08 0.02 0.00 0.00 177.57 176.92 2e8p h GLU 41 N 0.00 0.00 -0.01 1.57 4.57 -0.68 -1.49 114.58 118.55 2e8p h GLU 41 Ca -0.01 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2e8p h GLU 41 Cb 1.57 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.16 2e8p h GLU 41 CO 0.10 0.28 -0.01 -0.22 -1.18 0.00 0.00 179.01 177.98 2e8p h LYS 42 N 0.00 0.01 -0.00 1.92 1.63 -1.41 -3.09 116.57 115.64 2e8p h LYS 42 Ca -0.15 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 2e8p h LYS 42 Cb 1.56 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.19 2e8p h LYS 42 CO 0.04 0.56 -0.00 0.09 -3.45 0.00 0.00 179.45 176.69 2e8p n ASN 43 N -4.81 0.23 -1.42 4.20 3.02 -1.14 -4.88 115.26 110.45 2e8p n ASN 43 Ca -0.09 -1.00 -0.18 0.00 -0.03 0.00 0.00 54.58 53.29 2e8p n ASN 43 Cb 0.28 -0.02 -0.07 0.00 -0.61 0.00 0.00 39.78 39.37 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 -0.85 -1.24 -1.66 3.52 5.02 -1.17 -4.91 118.16 116.87 2e8p n LYS 44 Ca 0.22 1.09 -0.46 0.00 -2.02 0.00 0.00 58.31 57.14 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 -2.67 2.11 -0.14 2.13 9.36 -0.57 -4.83 117.16 122.56 2e8p n TYR 45 Ca -0.18 0.41 0.26 0.00 3.32 0.00 0.00 57.90 61.72 2e8p n TYR 45 Cb 0.59 -2.46 0.71 0.00 -0.63 0.00 0.00 39.34 37.54 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 4.62 0.02 -1.71 2.98 3.58 -1.91 -3.45 116.42 120.54 2e8p h ASP 46 Ca -0.45 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 56.64 2e8p h ASP 46 Cb 1.28 -0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.25 2e8p h ASP 46 CO 0.79 0.01 -0.39 0.00 -2.88 0.00 0.00 179.24 176.76 2e8p n ALA 47 N -2.69 -0.40 -1.21 -0.78 0.00 -1.26 -4.87 120.51 109.30 2e8p n ALA 47 Ca 0.16 0.21 -0.07 0.00 0.00 0.00 0.00 53.44 53.75 2e8p n ALA 47 Cb 0.87 -1.89 0.24 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.14 3.67 0.00 0.00 2.88 -1.26 -4.47 113.62 113.30 2e8p n SER 48 Ca -0.19 -3.45 0.00 0.00 -1.33 0.00 0.00 58.87 53.89 2e8p n SER 48 Cb 0.62 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 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 -0.75 2.10 -1.63 -1.46 0.00 -1.26 -5.07 120.51 112.43 2e8p n ALA 49 Ca 0.39 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 53.34 2e8p n ALA 49 Cb 1.25 0.13 -0.05 0.00 0.00 0.00 0.00 19.45 20.78 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 -1.84 0.03 -3.13 0.00 5.41 -1.26 -4.69 119.36 113.87 2e8p n ILE 50 Ca 0.00 -0.00 -0.45 0.00 1.00 0.00 0.00 62.75 63.30 2e8p n ILE 50 Cb 0.13 -1.22 -0.00 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 0.88 7.12 0.50 4.38 1.01 -0.77 -4.85 116.67 124.95 2e8p s ASP 51 Ca 0.82 -3.15 0.25 0.00 0.71 0.00 0.00 52.55 51.19 2e8p s ASP 51 Cb -0.81 -2.31 1.33 0.00 1.01 0.00 0.00 42.92 42.13 2e8p s ASP 51 CO 0.43 -0.57 1.91 -0.26 0.21 0.00 0.00 175.17 176.89 2e8p h PHE 52 N 7.13 0.18 -0.26 4.23 -1.00 -1.90 0.24 116.94 125.55 2e8p h PHE 52 Ca 0.23 0.01 0.08 0.00 2.81 0.00 0.00 57.97 61.10 2e8p h PHE 52 Cb 0.90 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 40.39 2e8p h PHE 52 CO 0.96 0.05 0.23 0.77 -1.61 0.00 0.00 178.31 178.72 2e8p h SER 53 N 0.14 0.00 0.91 2.17 0.02 -1.95 0.55 113.55 115.39 2e8p h SER 53 Ca 0.39 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.12 2e8p h SER 53 Cb 1.33 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.84 2e8p h SER 53 CO -0.06 0.00 -1.15 0.03 -1.14 0.00 0.00 176.83 174.52 2e8p h ARG 54 N 0.00 0.00 -5.67 3.45 2.47 -0.87 -3.42 114.38 110.34 2e8p h ARG 54 Ca 0.13 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.52 2e8p h ARG 54 Cb 0.59 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.86 2e8p h ARG 54 CO -0.00 0.82 0.87 0.00 0.56 0.00 0.00 179.97 182.22 2e8p n ASP 56 N 13.81 1.69 -2.95 0.00 2.03 -1.26 -4.98 116.55 124.88 2e8p n ASP 56 Ca 0.41 -1.79 -0.13 0.00 0.52 0.00 0.00 54.79 53.80 2e8p n ASP 56 Cb 0.47 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.98 2e8p n ASP 56 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2e8p n MET 57 N -0.40 -1.92 0.02 -0.67 2.81 -1.26 -4.99 117.12 110.70 2e8p n MET 57 Ca 0.00 -0.74 0.00 0.00 -1.81 0.00 0.00 57.70 55.15 2e8p n MET 57 Cb 0.25 -0.69 0.00 0.00 -0.71 0.00 0.00 33.22 32.06 2e8p n MET 57 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2e8p n ASP 58 N -3.79 0.16 0.02 7.83 5.75 -1.26 -4.14 116.55 121.12 2e8p n ASP 58 Ca 0.06 0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.90 2e8p n ASP 58 Cb 0.25 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 2e8p n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2e8p n GLY 59 N 2.58 -1.50 0.30 6.12 0.00 -1.11 -1.96 105.19 109.62 2e8p n GLY 59 Ca 0.00 0.60 0.15 0.00 0.00 0.00 0.00 46.02 46.77 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 1.62 0.08 4.61 0.00 -1.69 -1.32 119.26 122.56 2e8p h ALA 60 Ca 0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2e8p h ALA 60 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2e8p h ALA 60 CO 0.00 -0.06 -1.32 1.15 0.00 0.00 0.00 179.25 179.03 2e8p h THR 61 N 0.00 1.39 -0.24 0.00 2.02 -1.91 -3.01 112.91 111.15 2e8p h THR 61 Ca 0.02 -3.04 -0.01 0.00 0.77 0.00 0.00 66.41 64.16 2e8p h THR 61 Cb 0.10 2.82 -0.01 0.00 -1.74 0.00 0.00 68.15 69.31 2e8p h THR 61 CO -0.00 0.86 0.13 0.25 0.37 0.00 0.00 175.52 177.12 2e8p h LEU 62 N 0.05 0.31 -1.10 2.58 5.85 -1.59 0.25 115.31 121.67 2e8p h LEU 62 Ca -0.15 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.39 2e8p h LEU 62 Cb 1.94 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 2e8p h LEU 62 CO 0.16 0.33 -0.34 0.00 -0.34 0.00 0.00 178.44 178.25 2e8p h ASN 64 N 0.00 0.00 -2.87 0.00 2.35 -1.30 -3.47 115.58 110.29 2e8p h ASN 64 Ca -0.00 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.25 2e8p h ASN 64 Cb 0.80 0.00 0.22 0.00 0.05 0.00 0.00 38.32 39.39 2e8p h ASN 64 CO 0.04 0.62 -0.84 0.00 -1.65 0.00 0.00 177.43 175.61 2e8p s ALA 66 N -2.31 3.90 0.09 0.00 0.00 -1.26 -4.99 121.76 117.18 2e8p s ALA 66 Ca 0.56 -1.05 -0.31 0.00 0.00 0.00 0.00 51.96 51.16 2e8p s ALA 66 Cb -0.17 -1.84 -0.13 0.00 0.00 0.00 0.00 23.12 20.98 2e8p s ALA 66 CO 0.67 0.34 1.49 1.25 0.00 0.00 0.00 175.76 179.51 2e8p h LEU 67 N 1.60 -1.37 -1.44 0.00 5.85 -1.98 -1.04 115.31 116.92 2e8p h LEU 67 Ca -0.50 0.14 0.20 0.00 0.84 0.00 0.00 57.88 58.56 2e8p h LEU 67 Cb 1.21 0.50 -0.07 0.00 0.37 0.00 0.00 40.66 42.66 2e8p h LEU 67 CO 0.65 -0.51 0.60 1.05 -0.34 0.00 0.00 178.44 179.89 2e8p h GLU 68 N -0.71 0.45 0.47 1.25 4.11 -1.98 -1.56 114.58 116.60 2e8p h GLU 68 Ca -0.02 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.37 2e8p h GLU 68 Cb 0.69 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2e8p h GLU 68 CO -0.21 0.29 -0.25 0.93 0.07 0.00 0.00 179.01 179.84 2e8p h GLU 69 N 0.46 -0.64 -0.14 1.06 5.08 -1.63 -1.43 114.58 117.34 2e8p h GLU 69 Ca 0.49 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.93 2e8p h GLU 69 Cb 1.14 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2e8p h GLU 69 CO -0.21 -0.43 0.15 -0.07 -1.00 0.00 0.00 179.01 177.45 2e8p h LEU 70 N -0.67 0.00 -0.08 1.33 3.38 -0.31 0.21 115.31 119.17 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 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2e8p h LEU 70 CO 0.09 0.00 -0.18 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 -0.83 -0.36 114.38 117.41 2e8p h ARG 71 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2e8p h ARG 71 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2e8p h ARG 71 CO -0.00 0.18 -1.04 1.28 -1.07 0.00 0.00 179.97 179.32 2e8p n LEU 72 N -3.15 0.63 -0.08 3.04 4.77 0.63 -2.01 117.00 120.83 2e8p n LEU 72 Ca 0.03 0.11 -0.07 0.00 -0.03 0.00 0.00 56.01 56.05 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 -1.07 0.52 -1.33 0.00 0.00 177.39 175.84 2e8p n VAL 73 N -2.18 1.12 -1.32 4.08 0.31 -0.48 -4.47 118.33 115.39 2e8p n VAL 73 Ca 0.01 -0.76 0.08 0.00 -0.01 0.00 0.00 64.34 63.66 2e8p n VAL 73 Cb 0.48 -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 -4.93 3.52 3.72 -0.15 -1.84 117.46 115.15 2e8p n PHE 74 Ca -0.27 -1.13 0.00 0.00 -0.05 0.00 0.00 57.45 56.00 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 -2.33 105.19 103.18 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 -2.48 135.00 133.16 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 -0.82 1.53 5.85 -1.78 -3.24 115.31 116.84 2e8p h LEU 77 Ca 0.00 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.87 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 0.40 1.23 -0.34 0.00 0.00 178.44 180.11 2e8p h GLY 78 N 2.57 1.31 0.36 3.75 0.00 -1.50 0.14 103.07 109.69 2e8p h GLY 78 Ca -0.00 -0.22 0.23 0.00 0.00 0.00 0.00 47.33 47.34 2e8p h GLY 78 CO 0.05 -0.06 0.59 -1.80 0.00 0.00 0.00 176.54 175.32 2e8p h ASP 79 N 0.57 0.08 0.53 0.19 1.82 -1.80 0.26 116.42 118.07 2e8p h ASP 79 Ca 0.45 0.01 -0.29 0.00 -0.39 0.00 0.00 57.03 56.81 2e8p h ASP 79 Cb 0.65 -0.01 -0.04 0.00 0.68 0.00 0.00 39.33 40.62 2e8p h ASP 79 CO -0.38 0.03 -1.60 1.56 -1.61 0.00 0.00 179.24 177.24 2e8p h GLN 80 N 0.08 0.06 -0.32 0.28 4.20 -0.99 -3.31 115.11 115.10 2e8p h GLN 80 Ca 0.40 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.88 2e8p h GLN 80 Cb 1.47 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.28 2e8p h GLN 80 CO -0.04 0.72 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.43 2e8p h LEU 81 N 0.02 0.85 0.01 1.46 3.38 0.35 -3.17 115.31 118.22 2e8p h LEU 81 Ca -0.25 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 57.26 2e8p h LEU 81 Cb 1.98 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.47 2e8p h LEU 81 CO 0.10 1.15 -0.09 -0.74 0.09 0.00 0.00 178.44 178.95 2e8p h HIS 82 N 0.57 -0.23 -0.83 1.13 2.76 -0.77 -0.84 115.15 116.95 2e8p h HIS 82 Ca 0.05 0.01 0.24 0.00 -2.20 0.00 0.00 60.37 58.47 2e8p h HIS 82 Cb 0.91 0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.94 2e8p h HIS 82 CO 0.07 -0.14 0.60 0.00 -1.30 0.00 0.00 177.93 177.16 2e8p h ALA 83 N 0.81 2.78 0.02 5.26 0.00 -1.64 0.40 119.26 126.89 2e8p h ALA 83 Ca 0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2e8p h ALA 83 Cb 0.20 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2e8p h ALA 83 CO -0.08 -1.02 -0.15 1.96 0.00 0.00 0.00 179.25 179.96 2e8p h GLN 84 N 0.00 0.07 0.00 0.00 1.08 -1.25 -3.27 115.11 111.73 2e8p h GLN 84 Ca 0.39 -0.10 -0.00 0.00 -1.45 0.00 0.00 58.65 57.50 2e8p h GLN 84 Cb 1.58 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 29.04 2e8p h GLN 84 CO -0.00 0.99 -0.00 -0.07 -0.95 0.00 0.00 178.83 178.80 2e8p h LEU 85 N -0.81 0.00 -1.29 1.46 3.38 0.04 -0.52 115.31 117.57 2e8p h LEU 85 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2e8p h LEU 85 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2e8p h LEU 85 CO 0.03 0.00 -0.35 0.03 0.09 0.00 0.00 178.44 178.24 2e8p h ARG 86 N 0.00 0.00 0.22 1.13 3.08 -1.04 -3.03 114.38 114.73 2e8p h ARG 86 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 2e8p h ARG 86 Cb 0.00 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.07 2e8p h ARG 86 CO 0.00 0.35 -1.61 -0.44 -1.07 0.00 0.00 179.97 177.19 2e8p h ASP 87 N 0.00 0.71 -0.94 7.04 3.32 -1.17 -1.86 116.42 123.53 2e8p h ASP 87 Ca -0.00 -0.93 0.17 0.00 0.02 0.00 0.00 57.03 56.29 2e8p h ASP 87 Cb 0.66 -0.23 -0.08 0.00 0.22 0.00 0.00 39.33 39.89 2e8p h ASP 87 CO 0.05 1.75 0.60 -0.07 -1.72 0.00 0.00 179.24 179.84 2e8p h LEU 88 N 0.10 0.65 0.04 1.55 3.38 -1.28 -1.87 115.31 117.88 2e8p h LEU 88 Ca -0.30 0.06 -0.32 0.00 0.09 0.00 0.00 57.88 57.40 2e8p h LEU 88 Cb 2.11 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.76 2e8p h LEU 88 CO 0.22 0.28 -1.85 0.35 0.09 0.00 0.00 178.44 177.53 2e8p n THR 89 N -4.61 1.66 -2.95 0.22 -2.24 -1.16 -4.76 114.28 100.45 2e8p n THR 89 Ca 0.20 -0.75 -0.22 0.00 -2.27 0.00 0.00 64.05 61.01 2e8p n THR 89 Cb 0.56 -1.27 0.03 0.00 -2.10 0.00 0.00 70.33 67.55 2e8p n THR 89 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2e8p n SER 90 N -3.19 -5.92 -1.13 3.42 7.64 -0.70 -4.70 113.62 109.04 2e8p n SER 90 Ca -0.23 -0.25 0.13 0.00 1.01 0.00 0.00 58.87 59.53 2e8p n SER 90 Cb 1.05 -4.81 -0.03 0.00 -1.01 0.00 0.00 64.21 59.41 2e8p n SER 90 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2e8p n SER 91 N -2.43 -6.70 -0.78 6.43 7.64 -1.26 -5.07 113.62 111.45 2e8p n SER 91 Ca -0.13 1.01 0.13 0.00 1.01 0.00 0.00 58.87 60.89 2e8p n SER 91 Cb 0.63 -2.90 0.26 0.00 -1.01 0.00 0.00 64.21 61.19 2e8p n SER 91 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79