#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 4.65 0.00 1.61 0.01 -1.26 -4.90 113.70 113.82 2e8p s SER 2 Ca 0.00 -3.35 -0.03 0.00 1.31 0.00 0.00 55.95 53.88 2e8p s SER 2 Cb 0.00 -1.67 -0.28 0.00 0.21 0.00 0.00 66.02 64.29 2e8p s SER 2 CO 0.00 -0.18 0.85 0.28 0.41 0.00 0.00 173.24 174.60 2e8p h SER 3 N 6.10 0.38 0.00 2.44 0.02 -2.09 -3.47 113.55 116.93 2e8p h SER 3 Ca 0.02 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 2e8p h SER 3 Cb 0.84 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.26 2e8p h SER 3 CO 0.71 1.44 0.00 0.61 -1.14 0.00 0.00 176.83 178.45 2e8p n GLY 4 N 1.67 0.76 0.21 -3.77 0.00 -1.26 -5.18 105.19 97.61 2e8p n GLY 4 Ca -0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.08 -3.05 1.61 2.88 -1.26 -5.08 113.62 108.64 2e8p n SER 5 Ca 0.00 -1.12 -0.32 0.00 -1.33 0.00 0.00 58.87 56.11 2e8p n SER 5 Cb 0.00 0.16 -0.01 0.00 -0.75 0.00 0.00 64.21 63.60 2e8p n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2e8p n SER 6 N -2.15 5.49 -1.38 -3.46 3.41 -1.26 -4.66 113.62 109.62 2e8p n SER 6 Ca 0.00 -3.71 0.04 0.00 -0.26 0.00 0.00 58.87 54.94 2e8p n SER 6 Cb 0.04 -0.74 0.03 0.00 -0.26 0.00 0.00 64.21 63.28 2e8p n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e8p n GLY 7 N -0.26 1.29 5.19 5.00 0.00 -1.26 -5.14 105.19 110.01 2e8p n GLY 7 Ca 0.38 -0.84 0.07 0.00 0.00 0.00 0.00 46.02 45.63 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 0.35 -0.97 0.02 1.61 6.02 -1.26 -4.87 117.38 118.29 2e8p n GLN 8 Ca 0.07 0.64 -0.01 0.00 -0.01 0.00 0.00 57.00 57.68 2e8p n GLN 8 Cb 1.09 -1.18 -0.00 0.00 1.02 0.00 0.00 30.24 31.17 2e8p n GLN 8 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2e8p n MET 9 N -2.74 0.06 -3.63 -1.09 2.81 -1.26 -4.99 117.12 106.28 2e8p n MET 9 Ca 0.00 0.02 -0.23 0.00 -1.81 0.00 0.00 57.70 55.68 2e8p n MET 9 Cb 0.22 -0.60 0.07 0.00 -0.71 0.00 0.00 33.22 32.20 2e8p n MET 9 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2e8p n SER 10 N -3.49 -4.56 -3.26 7.83 7.64 -1.26 -4.93 113.62 111.59 2e8p n SER 10 Ca -0.02 -0.63 -0.33 0.00 1.01 0.00 0.00 58.87 58.90 2e8p n SER 10 Cb 0.16 -4.76 -0.02 0.00 -1.01 0.00 0.00 64.21 58.59 2e8p n SER 10 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2e8p n LEU 11 N -4.67 5.63 -4.43 -3.43 4.77 -1.26 -5.02 117.00 108.58 2e8p n LEU 11 Ca -0.09 -5.55 -0.30 0.00 -0.03 0.00 0.00 56.01 50.05 2e8p n LEU 11 Cb 0.59 -0.82 -0.13 0.00 -2.33 0.00 0.00 43.42 40.73 2e8p n LEU 11 CO 0.66 2.21 -0.53 -1.61 -1.33 0.00 0.00 177.39 176.79 2e8p s GLU 12 N -3.74 1.73 -0.27 3.23 2.02 -1.26 -5.12 118.70 115.28 2e8p s GLU 12 Ca 0.44 -1.18 -0.04 0.00 0.02 0.00 0.00 54.97 54.21 2e8p s GLU 12 Cb 0.23 -2.05 0.15 0.00 0.10 0.00 0.00 34.13 32.57 2e8p s GLU 12 CO -0.12 0.49 0.54 0.20 0.02 0.00 0.00 175.26 176.39 2e8p s GLY 13 N -1.84 -0.72 -0.14 -1.39 0.00 -1.26 -5.14 107.32 96.83 2e8p s GLY 13 Ca 0.15 1.73 -0.05 0.00 0.00 0.00 0.00 44.72 46.55 2e8p s GLY 13 CO 0.07 3.02 0.28 -1.08 0.00 0.00 0.00 173.10 175.39 2e8p s THR 14 N 2.77 -0.44 0.12 0.90 -1.32 -1.26 -5.16 115.64 111.25 2e8p s THR 14 Ca 0.10 0.27 0.10 0.00 -1.21 0.00 0.00 61.69 60.94 2e8p s THR 14 Cb -0.14 -0.47 -0.04 0.00 -1.51 0.00 0.00 72.50 70.34 2e8p s THR 14 CO -0.18 0.11 -0.21 -0.70 -2.21 0.00 0.00 174.62 171.43 2e8p s GLU 15 N 2.44 1.66 0.73 7.08 2.56 -1.26 -5.06 118.70 126.85 2e8p s GLU 15 Ca 0.01 -1.24 0.00 0.00 0.00 0.00 0.00 54.97 53.73 2e8p s GLU 15 Cb -0.12 -2.04 0.00 0.00 2.00 0.00 0.00 34.13 33.97 2e8p s GLU 15 CO -0.09 0.47 0.00 1.63 -0.56 0.00 0.00 175.26 176.71 2e8p n LYS 16 N 0.80 -1.76 -3.64 4.30 4.76 -1.26 -4.98 118.16 116.38 2e8p n LYS 16 Ca -0.16 1.16 -0.08 0.00 -2.87 0.00 0.00 58.31 56.36 2e8p n LYS 16 Cb 0.53 -2.15 -0.07 0.00 -1.84 0.00 0.00 35.03 31.50 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 -2.00 -2.00 0.41 7.82 0.00 -1.26 -5.00 121.76 119.72 2e8p s ALA 17 Ca 0.00 2.06 0.39 0.00 0.00 0.00 0.00 51.96 54.41 2e8p s ALA 17 Cb 0.00 -1.46 2.04 0.00 0.00 0.00 0.00 23.12 23.70 2e8p s ALA 17 CO 0.00 -0.30 2.18 0.77 0.00 0.00 0.00 175.76 178.41 2e8p h SER 18 N 5.18 0.00 -0.29 0.00 0.02 -1.95 0.11 113.55 116.62 2e8p h SER 18 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2e8p h SER 18 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2e8p h SER 18 CO 0.13 0.00 0.00 -2.67 -1.14 0.00 0.00 176.83 173.15 2e8p n TRP 19 N -2.90 0.90 -3.84 3.45 4.27 -1.26 -4.91 117.44 113.15 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 0.10 -0.27 -0.12 0.00 -1.36 0.00 0.00 31.31 29.65 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 -2.48 3.39 0.00 5.67 1.43 0.03 -4.39 118.68 122.32 2e8p s LEU 20 Ca 0.39 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 2e8p s LEU 20 Cb 0.30 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.63 2e8p s LEU 20 CO 0.10 -0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.29 2e8p n GLY 21 N 4.72 2.49 3.30 -3.19 0.00 -1.26 -4.79 105.19 106.46 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 -0.34 1.71 0.93 1.61 2.56 -1.26 -5.13 118.70 118.79 2e8p s GLU 22 Ca 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 54.97 53.86 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 1.96 -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 -2.35 0.33 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 -4.18 0.07 0.10 -1.09 -0.04 -1.26 -2.25 135.00 126.35 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 -1.37 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 -3.26 2.96 3.01 -0.96 -2.95 117.46 116.36 2e8p n PHE 26 Ca -0.02 -2.68 -0.20 0.00 1.01 0.00 0.00 57.45 55.55 2e8p n PHE 26 Cb 0.73 -0.73 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 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 3.11 0.39 1.38 0.52 -1.25 -4.84 118.94 114.48 2e8p s TRP 27 Ca 0.53 -0.10 0.08 0.00 0.02 0.00 0.00 56.10 56.63 2e8p s TRP 27 Cb 0.44 -2.15 -0.05 0.00 -1.15 0.00 0.00 33.47 30.56 2e8p s TRP 27 CO -0.16 -0.18 0.18 0.45 0.02 0.00 0.00 176.95 177.26 2e8p s SER 28 N -4.21 4.54 0.58 2.95 0.15 -0.22 -3.30 113.70 114.19 2e8p s SER 28 Ca 0.47 -0.96 0.28 0.00 0.70 0.00 0.00 55.95 56.44 2e8p s SER 28 Cb -0.10 -0.56 1.68 0.00 -1.71 0.00 0.00 66.02 65.34 2e8p s SER 28 CO 0.33 -0.47 2.17 0.11 1.20 0.00 0.00 173.24 176.58 2e8p h LYS 29 N 1.44 0.00 0.11 5.44 1.57 -1.78 -1.99 116.57 121.36 2e8p h LYS 29 Ca -0.43 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.08 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 0.67 0.00 -1.37 1.15 -0.57 0.00 0.00 179.45 179.33 2e8p h THR 30 N 0.00 1.04 -0.33 -0.16 2.02 -1.90 -3.32 112.91 110.26 2e8p h THR 30 Ca 0.05 -2.39 0.06 0.00 0.77 0.00 0.00 66.41 64.90 2e8p h THR 30 Cb 0.24 2.71 -0.06 0.00 -1.74 0.00 0.00 68.15 69.31 2e8p h THR 30 CO -0.00 0.69 -0.03 1.56 0.37 0.00 0.00 175.52 178.10 2e8p h GLN 31 N -0.35 0.05 0.12 6.66 4.20 -1.74 0.13 115.11 124.18 2e8p h GLN 31 Ca -0.30 -0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.41 2e8p h GLN 31 Cb 1.72 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.46 2e8p h GLN 31 CO 0.05 0.04 -0.36 0.28 -0.67 0.00 0.00 178.83 178.16 2e8p h VAL 32 N 0.05 0.00 -0.98 -0.54 2.07 -1.55 0.22 116.25 115.52 2e8p h VAL 32 Ca 0.16 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.80 2e8p h VAL 32 Cb 0.23 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.92 2e8p h VAL 32 CO -0.30 0.00 0.62 -0.07 0.02 0.00 0.00 177.57 177.85 2e8p h LEU 33 N -0.54 0.88 -1.62 2.57 3.38 -1.61 0.12 115.31 118.49 2e8p h LEU 33 Ca -0.01 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2e8p h LEU 33 Cb 0.53 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2e8p h LEU 33 CO -0.17 0.47 -0.20 0.44 0.09 0.00 0.00 178.44 179.07 2e8p h ASP 34 N 0.95 0.00 0.54 -0.43 5.19 -0.04 -2.38 116.42 120.25 2e8p h ASP 34 Ca 0.48 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.68 2e8p h ASP 34 Cb 0.51 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 2e8p h ASP 34 CO -0.25 0.20 -0.93 -0.25 -3.12 0.00 0.00 179.24 174.89 2e8p h TRP 35 N 0.00 0.38 0.27 4.55 7.01 0.21 -3.28 115.95 125.09 2e8p h TRP 35 Ca -0.00 -0.22 -0.01 0.00 2.11 0.00 0.00 58.89 60.77 2e8p h TRP 35 Cb 0.37 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.39 2e8p h TRP 35 CO 0.00 1.05 -0.13 0.82 -2.79 0.00 0.00 178.44 177.39 2e8p h ILE 36 N 0.13 0.74 -0.96 2.65 2.04 -0.81 -2.50 117.51 118.80 2e8p h ILE 36 Ca -0.06 -0.03 0.21 0.00 1.00 0.00 0.00 64.86 65.98 2e8p h ILE 36 Cb 1.57 0.76 -0.08 0.00 -0.74 0.00 0.00 36.82 38.33 2e8p h ILE 36 CO 0.15 0.01 0.62 -1.28 0.00 0.00 0.00 178.15 177.65 2e8p h SER 37 N -0.38 0.51 -0.31 1.72 0.87 -1.62 0.30 113.55 114.65 2e8p h SER 37 Ca -0.04 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2e8p h SER 37 Cb 0.29 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2e8p h SER 37 CO 0.06 0.18 0.18 0.22 -0.53 0.00 0.00 176.83 176.93 2e8p h TYR 38 N 0.50 0.42 0.00 2.24 3.20 -1.51 -0.60 116.97 121.22 2e8p h TYR 38 Ca 0.53 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.31 2e8p h TYR 38 Cb 1.18 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 2e8p h TYR 38 CO -0.00 0.33 -0.37 1.96 -1.64 0.00 0.00 178.16 178.44 2e8p h GLN 39 N 0.39 0.00 0.00 1.82 1.08 -0.80 -1.95 115.11 115.65 2e8p h GLN 39 Ca 0.11 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.20 2e8p h GLN 39 Cb 0.04 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 2e8p h GLN 39 CO -0.02 0.37 -0.51 0.28 -0.95 0.00 0.00 178.83 178.00 2e8p h VAL 40 N 0.00 1.04 0.00 -0.54 2.07 -0.07 -2.59 116.25 116.17 2e8p h VAL 40 Ca -0.00 -1.97 -0.16 0.00 0.82 0.00 0.00 66.70 65.38 2e8p h VAL 40 Cb 1.09 2.17 -0.03 0.00 -1.52 0.00 0.00 31.29 33.01 2e8p h VAL 40 CO 0.05 0.50 -1.64 1.21 0.02 0.00 0.00 177.57 177.71 2e8p n GLU 41 N -3.47 0.64 -0.03 1.57 4.07 -0.27 -1.42 120.64 121.72 2e8p n GLU 41 Ca 0.00 0.11 -0.16 0.00 -0.06 0.00 0.00 57.16 57.05 2e8p n GLU 41 Cb 0.62 -1.72 -0.09 0.00 -0.06 0.00 0.00 31.44 30.20 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 0.50 -0.35 5.31 1.63 -1.34 -3.12 116.57 119.20 2e8p h LYS 42 Ca -0.19 -0.41 0.00 0.00 -0.85 0.00 0.00 60.65 59.21 2e8p h LYS 42 Cb 1.56 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 33.27 2e8p h LYS 42 CO 0.03 1.04 0.00 0.09 -3.45 0.00 0.00 179.45 177.16 2e8p n ASN 43 N -4.26 1.90 -2.47 4.20 3.02 -0.98 -4.89 115.26 111.78 2e8p n ASN 43 Ca -0.08 -1.98 -0.13 0.00 -0.03 0.00 0.00 54.58 52.36 2e8p n ASN 43 Cb 0.59 -0.23 -0.01 0.00 -0.61 0.00 0.00 39.78 39.52 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 0.54 -2.29 -1.83 3.52 5.02 -1.18 -4.87 118.16 117.07 2e8p n LYS 44 Ca 0.12 0.60 -0.41 0.00 -2.02 0.00 0.00 58.31 56.60 2e8p n LYS 44 Cb 0.30 -5.20 -0.01 0.00 -0.02 0.00 0.00 35.03 30.10 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 -2.63 2.73 0.46 2.13 5.04 -0.51 -4.87 117.35 119.71 2e8p s TYR 45 Ca 0.01 0.99 0.22 0.00 -2.44 0.00 0.00 57.07 55.86 2e8p s TYR 45 Cb -0.01 -4.00 1.23 0.00 0.35 0.00 0.00 41.96 39.53 2e8p s TYR 45 CO 0.02 -3.17 1.88 0.22 -1.34 0.00 0.00 175.55 173.15 2e8p h ASP 46 N 4.09 0.25 -1.63 4.32 3.58 -1.89 -3.45 116.42 121.69 2e8p h ASP 46 Ca -0.48 0.03 -0.34 0.00 0.42 0.00 0.00 57.03 56.65 2e8p h ASP 46 Cb 1.23 -0.02 -0.08 0.00 1.72 0.00 0.00 39.33 42.18 2e8p h ASP 46 CO 0.73 0.10 -0.38 0.00 -2.88 0.00 0.00 179.24 176.81 2e8p n ALA 47 N -2.58 -0.38 -1.21 -0.78 0.00 -1.26 -4.87 120.51 109.43 2e8p n ALA 47 Ca 0.18 0.21 -0.07 0.00 0.00 0.00 0.00 53.44 53.76 2e8p n ALA 47 Cb 0.77 -1.83 0.24 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.00 3.70 0.00 0.00 2.88 -1.26 -4.44 113.62 113.50 2e8p n SER 48 Ca -0.19 -3.45 0.00 0.00 -1.33 0.00 0.00 58.87 53.91 2e8p n SER 48 Cb 0.61 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 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 -0.73 2.00 -1.68 -1.46 0.00 -1.26 -5.05 120.51 112.33 2e8p n ALA 49 Ca 0.39 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 53.35 2e8p n ALA 49 Cb 1.25 0.30 -0.05 0.00 0.00 0.00 0.00 19.45 20.95 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 -2.09 0.38 0.12 0.00 5.41 -1.26 -4.66 119.36 117.25 2e8p n ILE 50 Ca 0.00 -0.07 -0.03 0.00 1.00 0.00 0.00 62.75 63.66 2e8p n ILE 50 Cb 0.30 -1.71 0.09 0.00 -0.71 0.00 0.00 39.64 37.60 2e8p n ILE 50 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2e8p h ASP 51 N 7.99 0.00 -2.53 4.38 3.58 -1.93 -3.47 116.42 124.43 2e8p h ASP 51 Ca -0.47 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 56.64 2e8p h ASP 51 Cb 1.27 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.26 2e8p h ASP 51 CO 0.93 0.72 -0.38 0.49 -2.88 0.00 0.00 179.24 178.12 2e8p n PHE 52 N -3.67 -0.81 0.00 0.28 3.72 -1.26 -4.72 117.46 111.00 2e8p n PHE 52 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2e8p n PHE 52 Cb 0.71 -3.20 0.00 0.00 -0.94 0.00 0.00 39.48 36.05 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 -1.49 2.58 0.16 4.37 7.64 -1.26 -4.76 113.62 120.86 2e8p n SER 53 Ca -0.18 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.74 2e8p n SER 53 Cb 0.61 0.04 0.16 0.00 -1.01 0.00 0.00 64.21 64.01 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 -5.18 1.43 3.08 -1.91 -3.39 114.38 108.41 2e8p h ARG 54 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 2e8p h ARG 54 Cb 0.63 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 2e8p h ARG 54 CO 0.00 0.43 1.87 0.00 -1.07 0.00 0.00 179.97 181.20 2e8p n ASP 56 N 10.42 3.57 -4.69 0.00 2.03 -1.26 -4.94 116.55 121.67 2e8p n ASP 56 Ca 0.48 -1.98 -0.42 0.00 0.52 0.00 0.00 54.79 53.38 2e8p n ASP 56 Cb 0.44 -0.37 -0.03 0.00 -0.72 0.00 0.00 41.12 40.44 2e8p n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e8p s MET 57 N -1.08 4.33 0.05 -0.67 0.23 -1.26 -4.93 119.30 115.97 2e8p s MET 57 Ca 0.40 1.77 -0.17 0.00 -1.03 0.00 0.00 55.69 56.65 2e8p s MET 57 Cb 0.21 -3.55 -0.16 0.00 -1.53 0.00 0.00 34.83 29.80 2e8p s MET 57 CO 0.28 -0.48 1.28 0.38 -2.03 0.00 0.00 175.02 174.45 2e8p h ASP 58 N 7.55 0.62 0.00 -1.18 2.03 -1.85 -3.41 116.42 120.18 2e8p h ASP 58 Ca -0.36 -0.59 0.00 0.00 -0.73 0.00 0.00 57.03 55.36 2e8p h ASP 58 Cb 1.17 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 39.49 2e8p h ASP 58 CO 0.88 1.10 0.00 0.61 -1.03 0.00 0.00 179.24 180.80 2e8p n GLY 59 N 0.54 -1.88 0.38 7.15 0.00 -1.21 -1.05 105.19 109.12 2e8p n GLY 59 Ca -0.07 0.62 0.19 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 2.41 0.00 4.61 0.00 -1.69 0.23 119.26 124.82 2e8p h ALA 60 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2e8p h ALA 60 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2e8p h ALA 60 CO 0.00 -0.58 -0.48 1.15 0.00 0.00 0.00 179.25 179.34 2e8p h THR 61 N 0.11 0.86 -0.06 0.00 2.02 -1.90 -3.05 112.91 110.89 2e8p h THR 61 Ca 0.29 -2.11 -0.03 0.00 0.77 0.00 0.00 66.41 65.33 2e8p h THR 61 Cb 0.99 2.35 -0.00 0.00 -1.74 0.00 0.00 68.15 69.75 2e8p h THR 61 CO -0.03 0.47 -0.08 0.25 0.37 0.00 0.00 175.52 176.51 2e8p h LEU 62 N 0.00 0.17 -1.68 2.58 5.85 -0.88 0.67 115.31 122.02 2e8p h LEU 62 Ca -0.00 -0.52 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 2e8p h LEU 62 Cb 1.31 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 2e8p h LEU 62 CO 0.06 0.65 -0.16 0.00 -0.34 0.00 0.00 178.44 178.66 2e8p h ASN 64 N 0.00 0.00 -3.34 0.00 2.35 -1.44 -3.47 115.58 109.67 2e8p h ASN 64 Ca -0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 2e8p h ASN 64 Cb 0.46 0.00 0.21 0.00 0.05 0.00 0.00 38.32 39.04 2e8p h ASN 64 CO 0.02 0.55 -0.52 0.00 -1.65 0.00 0.00 177.43 175.83 2e8p s ALA 66 N -2.22 3.71 0.09 0.00 0.00 -1.26 -4.98 121.76 117.10 2e8p s ALA 66 Ca 0.60 -0.89 -0.35 0.00 0.00 0.00 0.00 51.96 51.31 2e8p s ALA 66 Cb -0.26 -2.10 -0.16 0.00 0.00 0.00 0.00 23.12 20.60 2e8p s ALA 66 CO 0.64 0.02 1.56 1.25 0.00 0.00 0.00 175.76 179.23 2e8p h LEU 67 N 0.88 -1.49 -1.02 0.00 5.85 -1.98 -1.80 115.31 115.74 2e8p h LEU 67 Ca -0.50 0.14 0.18 0.00 0.84 0.00 0.00 57.88 58.54 2e8p h LEU 67 Cb 1.22 0.52 -0.10 0.00 0.37 0.00 0.00 40.66 42.66 2e8p h LEU 67 CO 0.62 -0.63 0.62 -0.33 -0.34 0.00 0.00 178.44 178.38 2e8p h GLU 68 N -0.90 0.77 0.06 1.25 5.08 -1.98 -1.65 114.58 117.20 2e8p h GLU 68 Ca -0.04 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2e8p h GLU 68 Cb 0.83 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 2e8p h GLU 68 CO -0.16 0.51 -0.27 0.93 -1.00 0.00 0.00 179.01 179.02 2e8p h GLU 69 N 0.79 -0.43 -0.07 2.33 5.08 -1.75 -0.23 114.58 120.30 2e8p h GLU 69 Ca 0.57 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.98 2e8p h GLU 69 Cb 0.85 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 2e8p h GLU 69 CO -0.36 -0.28 0.08 -0.07 -1.00 0.00 0.00 179.01 177.38 2e8p h LEU 70 N -0.44 0.00 -0.02 1.33 3.38 -0.61 0.15 115.31 119.09 2e8p h LEU 70 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2e8p h LEU 70 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2e8p h LEU 70 CO -0.19 0.00 -0.16 0.03 0.09 0.00 0.00 178.44 178.21 2e8p h ARG 71 N 0.00 0.00 0.00 1.13 3.08 -0.61 -0.46 114.38 117.52 2e8p h ARG 71 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2e8p h ARG 71 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 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 -3.14 0.63 -0.08 3.04 4.77 0.40 -2.03 117.00 120.59 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 41.44 2e8p n LEU 72 CO 0.36 -0.03 -1.08 0.52 -1.33 0.00 0.00 177.39 175.83 2e8p n VAL 73 N -2.18 1.16 -1.29 4.08 0.31 -0.49 -4.47 118.33 115.43 2e8p n VAL 73 Ca 0.01 -0.77 0.08 0.00 -0.01 0.00 0.00 64.34 63.66 2e8p n VAL 73 Cb 0.48 -0.44 0.16 0.00 -0.91 0.00 0.00 33.84 33.13 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 -2.65 0.00 -4.94 3.52 3.72 -0.19 -3.61 117.46 113.32 2e8p n PHE 74 Ca -0.28 -1.15 0.00 0.00 -0.05 0.00 0.00 57.45 55.97 2e8p n PHE 74 Cb 1.05 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 39.41 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 -1.27 1.04 0.00 1.37 0.00 -0.86 -2.33 105.19 103.13 2e8p n GLY 75 Ca 0.17 -0.60 0.07 0.00 0.00 0.00 0.00 46.02 45.66 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 0.05 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 -1.14 1.53 5.85 -1.78 -3.22 115.31 116.55 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 0.39 0.61 1.23 -0.34 0.00 0.00 178.44 180.33 2e8p h GLY 78 N 2.55 1.52 1.17 3.75 0.00 -1.51 0.24 103.07 110.79 2e8p h GLY 78 Ca -0.00 -0.33 0.10 0.00 0.00 0.00 0.00 47.33 47.09 2e8p h GLY 78 CO 0.05 -0.00 0.32 -1.80 0.00 0.00 0.00 176.54 175.11 2e8p h ASP 79 N 0.72 0.00 0.38 0.19 3.58 -1.80 0.30 116.42 119.79 2e8p h ASP 79 Ca 0.53 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.73 2e8p h ASP 79 Cb 0.88 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.89 2e8p h ASP 79 CO -0.31 0.00 -1.83 0.00 -2.88 0.00 0.00 179.24 174.23 2e8p n GLN 80 N -3.92 0.65 0.12 0.28 1.13 0.75 -3.94 117.38 112.45 2e8p n GLN 80 Ca 0.05 0.15 -0.01 0.00 -1.94 0.00 0.00 57.00 55.25 2e8p n GLN 80 Cb 0.49 -1.70 0.06 0.00 0.11 0.00 0.00 30.24 29.20 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 0.00 0.00 0.13 1.08 3.38 -0.08 -3.20 115.31 116.63 2e8p h LEU 81 Ca -0.30 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2e8p h LEU 81 Cb 1.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.61 2e8p h LEU 81 CO 0.05 0.66 -0.06 -0.74 0.09 0.00 0.00 178.44 178.44 2e8p h HIS 82 N 0.00 -0.17 -0.06 1.13 2.76 -0.67 -2.25 115.15 115.89 2e8p h HIS 82 Ca -0.01 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.18 2e8p h HIS 82 Cb 1.37 0.05 -0.00 0.00 1.55 0.00 0.00 27.41 30.39 2e8p h HIS 82 CO 0.00 0.23 0.12 0.00 -1.30 0.00 0.00 177.93 176.98 2e8p h ALA 83 N 0.15 1.41 0.00 5.26 0.00 -1.68 0.31 119.26 124.71 2e8p h ALA 83 Ca -0.02 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2e8p h ALA 83 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2e8p h ALA 83 CO 0.03 -0.15 -0.94 1.96 0.00 0.00 0.00 179.25 180.16 2e8p h GLN 84 N 0.00 0.00 0.00 0.00 1.08 -1.51 -3.29 115.11 111.38 2e8p h GLN 84 Ca 0.03 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 56.95 2e8p h GLN 84 Cb 0.26 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.64 2e8p h GLN 84 CO -0.00 0.45 -1.69 1.28 -0.95 0.00 0.00 178.83 177.91 2e8p n LEU 85 N -3.09 0.84 0.24 1.46 4.77 0.30 -3.70 117.00 117.82 2e8p n LEU 85 Ca -0.03 0.40 0.10 0.00 -0.03 0.00 0.00 56.01 56.44 2e8p n LEU 85 Cb 0.80 0.17 0.60 0.00 -2.33 0.00 0.00 43.42 42.65 2e8p n LEU 85 CO 0.42 0.36 0.90 0.08 -1.33 0.00 0.00 177.39 177.81 2e8p h ARG 86 N 0.00 0.00 0.24 3.23 -0.00 -0.63 -2.76 114.38 114.47 2e8p h ARG 86 Ca -0.28 0.00 -0.34 0.00 -0.00 0.00 0.00 59.98 59.37 2e8p h ARG 86 Cb 1.96 0.00 0.04 0.00 -0.00 0.00 0.00 29.97 31.97 2e8p h ARG 86 CO 0.07 0.19 -1.49 -0.44 -0.00 0.00 0.00 179.97 178.30 2e8p h ASP 87 N 0.00 0.81 0.13 0.08 3.32 -1.69 -0.02 116.42 119.06 2e8p h ASP 87 Ca -0.00 -0.89 0.01 0.00 0.02 0.00 0.00 57.03 56.17 2e8p h ASP 87 Cb 0.45 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 2e8p h ASP 87 CO 0.02 1.70 -0.15 -0.07 -1.72 0.00 0.00 179.24 179.02 2e8p h LEU 88 N 0.14 -0.42 0.00 1.55 3.38 -1.58 -2.88 115.31 115.51 2e8p h LEU 88 Ca -0.26 0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.60 2e8p h LEU 88 Cb 2.16 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 43.04 2e8p h LEU 88 CO 0.27 -0.23 -0.79 0.71 0.09 0.00 0.00 178.44 178.49 2e8p h THR 89 N -0.32 1.19 -5.13 0.22 1.35 -1.64 -3.48 112.91 105.10 2e8p h THR 89 Ca 0.01 -2.72 0.01 0.00 -0.55 0.00 0.00 66.41 63.16 2e8p h THR 89 Cb 0.32 2.58 -0.07 0.00 -1.73 0.00 0.00 68.15 69.25 2e8p h THR 89 CO -0.06 0.68 -1.30 -1.20 -0.25 0.00 0.00 175.52 173.39 2e8p n SER 90 N -3.25 -3.98 -4.83 5.36 7.64 -0.02 -5.05 113.62 109.49 2e8p n SER 90 Ca -0.00 1.36 -0.23 0.00 1.01 0.00 0.00 58.87 61.01 2e8p n SER 90 Cb 0.83 -5.13 -0.04 0.00 -1.01 0.00 0.00 64.21 58.86 2e8p n SER 90 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2e8p s SER 91 N -1.08 4.74 0.00 6.43 0.01 -1.21 -5.05 113.70 117.54 2e8p s SER 91 Ca -0.15 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.15 2e8p s SER 91 Cb 0.01 -0.38 0.00 0.00 0.21 0.00 0.00 66.02 65.86 2e8p s SER 91 CO 0.76 -0.68 0.00 -1.20 0.41 0.00 0.00 173.24 172.53