#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 1.10 -3.76 1.61 2.88 -1.26 -5.08 113.62 109.12 2e8p n SER 2 Ca 0.00 0.18 -0.13 0.00 -1.33 0.00 0.00 58.87 57.59 2e8p n SER 2 Cb 0.00 -0.56 -0.10 0.00 -0.75 0.00 0.00 64.21 62.80 2e8p n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2e8p s SER 3 N -5.26 -0.29 -0.42 -3.46 1.04 -1.26 -5.08 113.70 98.96 2e8p s SER 3 Ca -0.14 0.45 0.10 0.00 0.48 0.00 0.00 55.95 56.83 2e8p s SER 3 Cb 0.02 0.54 0.39 0.00 0.10 0.00 0.00 66.02 67.07 2e8p s SER 3 CO 0.21 -0.25 0.91 0.61 0.98 0.00 0.00 173.24 175.70 2e8p n GLY 4 N 2.24 4.06 0.04 7.32 0.00 -1.26 -4.81 105.19 112.78 2e8p n GLY 4 Ca -0.16 -2.07 -0.05 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.07 3.27 -1.31 1.61 2.88 -1.26 -5.13 113.62 113.62 2e8p n SER 5 Ca 0.25 -0.03 0.18 0.00 -1.33 0.00 0.00 58.87 57.94 2e8p n SER 5 Cb 0.63 0.18 -0.04 0.00 -0.75 0.00 0.00 64.21 64.22 2e8p n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2e8p n SER 6 N -2.57 -7.74 0.00 -3.46 2.88 -1.26 -5.04 113.62 96.43 2e8p n SER 6 Ca -0.14 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 2e8p n SER 6 Cb 0.70 -4.00 0.00 0.00 -0.75 0.00 0.00 64.21 60.16 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 -3.87 -1.56 3.76 0.46 0.00 -1.26 -5.11 105.19 97.60 2e8p n GLY 7 Ca 0.01 -1.48 -0.08 0.00 0.00 0.00 0.00 46.02 44.46 2e8p n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2e8p s GLN 8 N -3.46 1.85 0.19 1.61 -2.07 -1.26 -5.18 119.66 111.34 2e8p s GLN 8 Ca 0.00 -1.20 0.04 0.00 -1.82 0.00 0.00 55.36 52.38 2e8p s GLN 8 Cb 0.00 0.57 -0.03 0.00 -1.09 0.00 0.00 33.01 32.46 2e8p s GLN 8 CO 0.00 -0.83 0.27 -1.64 -1.32 0.00 0.00 175.29 171.77 2e8p s MET 9 N -3.52 3.28 -0.17 9.60 -1.94 -1.26 -5.03 119.30 120.26 2e8p s MET 9 Ca 0.16 -0.74 0.17 0.00 -1.71 0.00 0.00 55.69 53.57 2e8p s MET 9 Cb -0.04 -2.84 -0.24 0.00 2.01 0.00 0.00 34.83 33.71 2e8p s MET 9 CO 0.09 0.48 0.09 -1.13 -0.01 0.00 0.00 175.02 174.55 2e8p n SER 10 N -0.79 0.35 -3.42 3.03 3.41 -1.26 -5.03 113.62 109.91 2e8p n SER 10 Ca -0.08 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.35 2e8p n SER 10 Cb 0.55 1.04 0.07 0.00 -0.26 0.00 0.00 64.21 65.61 2e8p n SER 10 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2e8p n LEU 11 N -2.66 -4.50 -4.70 1.04 4.32 -1.26 -4.90 117.00 104.34 2e8p n LEU 11 Ca -0.29 -0.74 -0.42 0.00 -0.02 0.00 0.00 56.01 54.54 2e8p n LEU 11 Cb 1.07 -3.01 -0.00 0.00 -1.62 0.00 0.00 43.42 39.86 2e8p n LEU 11 CO 0.40 0.27 0.88 -0.62 -1.22 0.00 0.00 177.39 177.10 2e8p n GLU 12 N -3.74 2.05 -2.35 3.23 1.02 -1.26 -4.98 120.64 114.61 2e8p n GLU 12 Ca -0.17 0.72 -0.27 0.00 -0.02 0.00 0.00 57.16 57.43 2e8p n GLU 12 Cb 0.64 -2.33 0.04 0.00 -0.02 0.00 0.00 31.44 29.76 2e8p n GLU 12 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2e8p s GLY 13 N -0.38 1.62 -0.37 0.62 0.00 -1.26 -5.08 107.32 102.47 2e8p s GLY 13 Ca 0.57 -0.71 0.07 0.00 0.00 0.00 0.00 44.72 44.65 2e8p s GLY 13 CO 0.61 -0.41 0.59 -0.51 0.00 0.00 0.00 173.10 173.38 2e8p s THR 14 N -3.04 -0.93 -0.15 0.90 -4.23 -1.26 -5.15 115.64 101.79 2e8p s THR 14 Ca 0.55 -0.09 -0.08 0.00 -1.18 0.00 0.00 61.69 60.89 2e8p s THR 14 Cb -0.11 -0.37 -0.04 0.00 1.34 0.00 0.00 72.50 73.33 2e8p s THR 14 CO 0.45 -0.06 0.14 -0.70 -0.54 0.00 0.00 174.62 173.91 2e8p s GLU 15 N 2.11 3.71 1.71 3.99 2.56 -1.26 -4.98 118.70 126.53 2e8p s GLU 15 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 54.97 54.95 2e8p s GLU 15 Cb -0.07 -3.27 0.00 0.00 2.00 0.00 0.00 34.13 32.79 2e8p s GLU 15 CO -0.13 0.61 0.00 1.17 -0.56 0.00 0.00 175.26 176.35 2e8p n LYS 16 N 2.53 -0.25 -3.81 4.30 0.00 -1.26 -4.90 118.16 114.76 2e8p n LYS 16 Ca -0.19 0.17 -0.13 0.00 0.00 0.00 0.00 58.31 58.16 2e8p n LYS 16 Cb 0.54 -0.31 -0.14 0.00 0.00 0.00 0.00 35.03 35.11 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 -1.89 -0.08 0.42 3.14 0.00 -1.26 -5.01 121.76 117.07 2e8p s ALA 17 Ca 0.00 0.26 0.39 0.00 0.00 0.00 0.00 51.96 52.61 2e8p s ALA 17 Cb 0.00 -0.18 2.06 0.00 0.00 0.00 0.00 23.12 24.99 2e8p s ALA 17 CO 0.00 -0.07 2.19 0.77 0.00 0.00 0.00 175.76 178.65 2e8p h SER 18 N 6.60 0.00 -0.29 0.00 0.02 -1.95 0.18 113.55 118.11 2e8p h SER 18 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2e8p h SER 18 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2e8p h SER 18 CO 0.47 0.00 0.00 -2.67 -1.14 0.00 0.00 176.83 173.49 2e8p n TRP 19 N -2.91 0.90 -3.76 3.45 4.27 -1.26 -4.92 117.44 113.21 2e8p n TRP 19 Ca -0.02 -0.80 -0.36 0.00 -3.89 0.00 0.00 57.50 52.42 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 -2.48 3.54 0.00 5.67 1.43 0.05 -4.36 118.68 122.53 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 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.57 2e8p s LEU 20 CO 0.10 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.28 2e8p n GLY 21 N 4.82 2.40 3.29 -3.19 0.00 -1.26 -4.80 105.19 106.45 2e8p n GLY 21 Ca -0.16 0.00 -0.28 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 -0.27 1.68 0.93 1.61 2.56 -1.26 -5.13 118.70 118.83 2e8p s GLU 22 Ca 0.00 -0.98 -0.10 0.00 0.00 0.00 0.00 54.97 53.89 2e8p s GLU 22 Cb 0.00 -1.77 0.15 0.00 2.00 0.00 0.00 34.13 34.51 2e8p s GLU 22 CO 0.00 0.46 1.10 1.04 -0.56 0.00 0.00 175.26 177.31 2e8p n GLN 23 N 2.00 -0.55 0.00 4.30 6.02 -1.26 -4.87 117.38 123.01 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 29.77 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 -4.16 0.06 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 -1.39 0.54 4.20 -1.90 -3.35 115.11 113.22 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 0.07 1.19 -0.67 0.00 0.00 178.83 179.74 2e8p n PHE 26 N -3.02 3.12 -3.27 2.96 3.01 -0.96 -3.04 117.46 116.26 2e8p n PHE 26 Ca -0.03 -2.69 -0.20 0.00 1.01 0.00 0.00 57.45 55.55 2e8p n PHE 26 Cb 0.74 -0.71 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 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 3.13 0.40 1.38 0.52 -1.25 -4.84 118.94 114.51 2e8p s TRP 27 Ca 0.53 -0.08 0.08 0.00 0.02 0.00 0.00 56.10 56.65 2e8p s TRP 27 Cb 0.43 -2.14 -0.04 0.00 -1.15 0.00 0.00 33.47 30.58 2e8p s TRP 27 CO -0.17 -0.17 0.21 -1.12 0.02 0.00 0.00 176.95 175.72 2e8p s SER 28 N -4.20 4.60 0.58 2.95 0.01 -0.31 -3.35 113.70 113.97 2e8p s SER 28 Ca 0.47 -0.95 0.28 0.00 1.31 0.00 0.00 55.95 57.05 2e8p s SER 28 Cb -0.10 -0.55 1.71 0.00 0.21 0.00 0.00 66.02 67.29 2e8p s SER 28 CO 0.33 -0.51 2.21 0.11 0.41 0.00 0.00 173.24 175.79 2e8p h LYS 29 N 1.38 0.00 0.14 12.44 1.57 -1.78 -2.01 116.57 128.31 2e8p h LYS 29 Ca -0.43 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.05 2e8p h LYS 29 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 2e8p h LYS 29 CO 0.66 0.00 -1.55 1.15 -0.57 0.00 0.00 179.45 179.14 2e8p h THR 30 N 0.00 0.98 -0.22 -0.16 2.02 -1.91 -3.32 112.91 110.30 2e8p h THR 30 Ca 0.02 -2.43 0.04 0.00 0.77 0.00 0.00 66.41 64.81 2e8p h THR 30 Cb 0.11 2.72 -0.04 0.00 -1.74 0.00 0.00 68.15 69.20 2e8p h THR 30 CO -0.00 0.76 -0.03 1.56 0.37 0.00 0.00 175.52 178.18 2e8p h GLN 31 N -0.16 0.03 0.12 6.66 4.20 -1.74 0.15 115.11 124.37 2e8p h GLN 31 Ca -0.32 -0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.39 2e8p h GLN 31 Cb 1.88 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.62 2e8p h GLN 31 CO 0.10 0.02 -0.37 0.28 -0.67 0.00 0.00 178.83 178.19 2e8p h VAL 32 N 0.03 0.00 -0.36 -0.54 2.07 -1.55 0.26 116.25 116.15 2e8p h VAL 32 Ca 0.11 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.73 2e8p h VAL 32 Cb 0.15 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 2e8p h VAL 32 CO -0.21 0.00 0.30 -0.07 0.02 0.00 0.00 177.57 177.61 2e8p h LEU 33 N -0.55 0.00 -0.48 2.57 3.38 -1.62 0.26 115.31 118.86 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 0.54 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2e8p h LEU 33 CO -0.18 0.00 -0.50 0.44 0.09 0.00 0.00 178.44 178.29 2e8p h ASP 34 N 0.00 0.00 0.90 -0.43 5.19 0.48 -3.17 116.42 119.39 2e8p h ASP 34 Ca 0.17 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.36 2e8p h ASP 34 Cb 0.76 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.25 2e8p h ASP 34 CO -0.00 0.50 -1.09 -0.25 -3.12 0.00 0.00 179.24 175.27 2e8p h TRP 35 N 0.00 0.08 0.12 4.55 7.01 0.29 -3.33 115.95 124.66 2e8p h TRP 35 Ca -0.01 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 60.93 2e8p h TRP 35 Cb 1.18 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.24 2e8p h TRP 35 CO 0.00 1.05 -0.06 0.82 -2.79 0.00 0.00 178.44 177.46 2e8p h ILE 36 N 0.01 0.93 -0.94 2.65 2.04 -1.31 -2.56 117.51 118.34 2e8p h ILE 36 Ca -0.05 -0.17 0.22 0.00 1.00 0.00 0.00 64.86 65.85 2e8p h ILE 36 Cb 1.82 1.04 -0.07 0.00 -0.74 0.00 0.00 36.82 38.87 2e8p h ILE 36 CO 0.14 0.04 0.62 -1.28 0.00 0.00 0.00 178.15 177.67 2e8p h SER 37 N -0.24 0.43 -0.36 1.72 0.87 -1.67 0.31 113.55 114.61 2e8p h SER 37 Ca -0.02 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 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 0.15 0.16 0.22 -0.53 0.00 0.00 176.83 176.86 2e8p h TYR 38 N 0.42 0.52 0.00 2.24 3.20 -1.57 0.10 116.97 121.89 2e8p h TYR 38 Ca 0.50 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.30 2e8p h TYR 38 Cb 1.23 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 2e8p h TYR 38 CO -0.00 0.46 -0.19 1.96 -1.64 0.00 0.00 178.16 178.75 2e8p h GLN 39 N 0.43 0.00 0.00 1.82 1.08 -0.83 -2.36 115.11 115.26 2e8p h GLN 39 Ca 0.12 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.15 2e8p h GLN 39 Cb 0.15 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 2e8p h GLN 39 CO -0.01 0.19 -0.83 0.28 -0.95 0.00 0.00 178.83 177.51 2e8p h VAL 40 N 0.00 1.35 0.00 -0.54 2.07 -0.10 -2.12 116.25 116.91 2e8p h VAL 40 Ca -0.00 -2.93 -0.13 0.00 0.82 0.00 0.00 66.70 64.46 2e8p h VAL 40 Cb 1.04 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 33.45 2e8p h VAL 40 CO 0.02 0.77 -1.19 -0.08 0.02 0.00 0.00 177.57 177.11 2e8p h GLU 41 N 0.00 0.00 0.06 1.57 4.57 -0.77 -2.14 114.58 117.88 2e8p h GLU 41 Ca -0.02 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.88 2e8p h GLU 41 Cb 1.63 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.19 2e8p h GLU 41 CO 0.10 0.27 -1.46 -0.22 -1.18 0.00 0.00 179.01 176.53 2e8p h LYS 42 N 0.00 0.13 -0.21 1.92 3.64 -1.48 -3.28 116.57 117.29 2e8p h LYS 42 Ca -0.11 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2e8p h LYS 42 Cb 1.46 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 2e8p h LYS 42 CO 0.04 0.94 0.00 0.09 -2.27 0.00 0.00 179.45 178.25 2e8p n ASN 43 N -3.33 1.46 -2.48 4.20 3.02 -0.80 -4.89 115.26 112.44 2e8p n ASN 43 Ca -0.13 -1.82 -0.13 0.00 -0.03 0.00 0.00 54.58 52.47 2e8p n ASN 43 Cb 1.02 -0.14 -0.01 0.00 -0.61 0.00 0.00 39.78 40.05 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 0.23 -2.30 -2.44 3.52 5.02 -1.22 -4.89 118.16 116.08 2e8p n LYS 44 Ca 0.13 0.59 -0.42 0.00 -2.02 0.00 0.00 58.31 56.60 2e8p n LYS 44 Cb 0.26 -5.20 -0.03 0.00 -0.02 0.00 0.00 35.03 30.04 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 3.47 0.53 2.13 5.04 -0.81 -4.90 117.35 120.19 2e8p s TYR 45 Ca 0.02 1.39 0.30 0.00 -2.44 0.00 0.00 57.07 56.33 2e8p s TYR 45 Cb -0.01 -3.38 1.45 0.00 0.35 0.00 0.00 41.96 40.37 2e8p s TYR 45 CO 0.02 -1.09 1.92 0.22 -1.34 0.00 0.00 175.55 175.28 2e8p h ASP 46 N 6.28 0.01 -1.66 4.32 1.82 -1.90 -3.45 116.42 121.83 2e8p h ASP 46 Ca -0.42 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 55.87 2e8p h ASP 46 Cb 1.21 -0.00 -0.07 0.00 0.68 0.00 0.00 39.33 41.15 2e8p h ASP 46 CO 0.78 0.00 -0.38 0.00 -1.61 0.00 0.00 179.24 178.04 2e8p n ALA 47 N -2.69 -0.39 -1.37 -0.78 0.00 -1.26 -4.87 120.51 109.15 2e8p n ALA 47 Ca 0.16 0.20 -0.12 0.00 0.00 0.00 0.00 53.44 53.68 2e8p n ALA 47 Cb 0.86 -1.83 0.19 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.02 2.98 0.00 0.00 3.41 -1.26 -4.50 113.62 113.22 2e8p n SER 48 Ca -0.19 -3.72 0.00 0.00 -0.26 0.00 0.00 58.87 54.70 2e8p n SER 48 Cb 0.61 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 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 -1.14 2.20 -1.63 7.33 0.00 -1.26 -5.10 120.51 120.92 2e8p n ALA 49 Ca 0.44 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.44 2e8p n ALA 49 Cb 1.30 0.03 -0.01 0.00 0.00 0.00 0.00 19.45 20.77 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 -1.75 1.99 -3.66 0.00 5.41 -1.26 -4.76 119.36 115.32 2e8p n ILE 50 Ca 0.00 -0.50 -0.36 0.00 1.00 0.00 0.00 62.75 62.89 2e8p n ILE 50 Cb 0.03 -1.19 -0.08 0.00 -0.71 0.00 0.00 39.64 37.70 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 -0.47 5.71 0.57 4.38 1.11 -0.87 -4.90 116.67 122.21 2e8p s ASP 51 Ca 0.58 -3.40 0.27 0.00 0.18 0.00 0.00 52.55 50.18 2e8p s ASP 51 Cb -0.66 -1.89 1.57 0.00 1.07 0.00 0.00 42.92 43.01 2e8p s ASP 51 CO 0.61 -0.25 2.07 -0.26 1.18 0.00 0.00 175.17 178.51 2e8p h PHE 52 N 6.39 0.00 -0.35 4.23 0.04 -1.92 -0.24 116.94 125.09 2e8p h PHE 52 Ca 0.10 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.97 2e8p h PHE 52 Cb 0.87 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.00 2e8p h PHE 52 CO 0.73 0.00 0.27 0.77 -0.60 0.00 0.00 178.31 179.48 2e8p h SER 53 N 0.00 0.00 0.89 2.17 0.02 -1.94 0.38 113.55 115.07 2e8p h SER 53 Ca 0.12 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.91 2e8p h SER 53 Cb 0.61 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 2e8p h SER 53 CO -0.00 0.00 -1.19 0.03 -1.14 0.00 0.00 176.83 174.53 2e8p h ARG 54 N 0.00 0.00 -5.03 3.45 2.47 -1.39 -3.41 114.38 110.46 2e8p h ARG 54 Ca 0.17 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.32 2e8p h ARG 54 Cb 0.70 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.99 2e8p h ARG 54 CO -0.00 0.38 2.04 0.00 0.56 0.00 0.00 179.97 182.95 2e8p n ASP 56 N 9.65 3.65 -4.69 0.00 -0.08 -1.26 -4.92 116.55 118.91 2e8p n ASP 56 Ca 0.48 -1.99 -0.42 0.00 -1.51 0.00 0.00 54.79 51.35 2e8p n ASP 56 Cb 0.43 -0.39 -0.03 0.00 2.34 0.00 0.00 41.12 43.48 2e8p n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2e8p s MET 57 N -1.10 4.34 0.05 -0.67 0.23 -1.26 -4.93 119.30 115.96 2e8p s MET 57 Ca 0.42 1.73 -0.18 0.00 -1.03 0.00 0.00 55.69 56.63 2e8p s MET 57 Cb 0.22 -3.55 -0.16 0.00 -1.53 0.00 0.00 34.83 29.81 2e8p s MET 57 CO 0.30 -0.46 1.27 0.38 -2.03 0.00 0.00 175.02 174.47 2e8p h ASP 58 N 7.49 0.60 0.00 -1.18 2.03 -1.86 -3.41 116.42 120.10 2e8p h ASP 58 Ca -0.35 -0.60 0.00 0.00 -0.73 0.00 0.00 57.03 55.35 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 0.58 -1.87 0.38 7.15 0.00 -1.21 -1.16 105.19 109.06 2e8p n GLY 59 Ca -0.07 0.62 0.20 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 2.46 0.02 4.61 0.00 -1.71 0.83 119.26 125.48 2e8p h ALA 60 Ca 0.00 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 2e8p h ALA 60 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2e8p h ALA 60 CO 0.00 -0.62 -0.97 1.15 0.00 0.00 0.00 179.25 178.81 2e8p h THR 61 N 0.05 1.63 0.16 0.00 2.02 -1.91 -3.06 112.91 111.80 2e8p h THR 61 Ca 0.27 -3.13 -0.01 0.00 0.77 0.00 0.00 66.41 64.31 2e8p h THR 61 Cb 1.00 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 70.15 2e8p h THR 61 CO -0.02 0.90 -0.08 0.25 0.37 0.00 0.00 175.52 176.95 2e8p h LEU 62 N 0.02 -0.18 -1.56 2.58 5.85 -1.15 0.25 115.31 121.12 2e8p h LEU 62 Ca -0.03 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 2e8p h LEU 62 Cb 1.69 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.76 2e8p h LEU 62 CO 0.13 -0.12 -0.20 0.00 -0.34 0.00 0.00 178.44 177.91 2e8p h ASN 64 N 0.00 0.15 -2.92 0.00 -0.73 -1.31 -3.46 115.58 107.32 2e8p h ASN 64 Ca -0.00 -0.16 -0.59 0.00 1.87 0.00 0.00 56.30 57.42 2e8p h ASN 64 Cb 0.51 -0.05 0.13 0.00 0.27 0.00 0.00 38.32 39.18 2e8p h ASN 64 CO 0.03 1.09 0.14 0.00 -0.37 0.00 0.00 177.43 178.31 2e8p s ALA 66 N -1.24 3.17 0.10 0.00 0.00 -1.26 -4.90 121.76 117.63 2e8p s ALA 66 Ca 0.62 -0.14 -0.33 0.00 0.00 0.00 0.00 51.96 52.10 2e8p s ALA 66 Cb -0.59 -2.97 -0.15 0.00 0.00 0.00 0.00 23.12 19.42 2e8p s ALA 66 CO 0.58 -0.53 1.53 1.25 0.00 0.00 0.00 175.76 178.59 2e8p h LEU 67 N 0.03 -1.49 -1.67 0.00 5.85 -1.98 -0.66 115.31 115.39 2e8p h LEU 67 Ca -0.45 0.15 0.22 0.00 0.84 0.00 0.00 57.88 58.64 2e8p h LEU 67 Cb 1.19 0.54 -0.06 0.00 0.37 0.00 0.00 40.66 42.70 2e8p h LEU 67 CO 0.62 -0.56 0.60 1.05 -0.34 0.00 0.00 178.44 179.81 2e8p h GLU 68 N -0.78 0.26 0.28 1.25 4.11 -1.99 -1.26 114.58 116.46 2e8p h GLU 68 Ca -0.02 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 2e8p h GLU 68 Cb 0.75 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2e8p h GLU 68 CO -0.23 0.17 -0.14 0.93 0.07 0.00 0.00 179.01 179.82 2e8p h GLU 69 N 0.27 -0.37 -0.16 1.06 5.08 -1.54 -2.21 114.58 116.71 2e8p h GLU 69 Ca 0.45 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.88 2e8p h GLU 69 Cb 1.32 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 2e8p h GLU 69 CO -0.12 -0.15 0.17 -0.07 -1.00 0.00 0.00 179.01 177.84 2e8p h LEU 70 N -0.52 0.00 -0.08 1.33 3.38 -0.23 0.26 115.31 119.45 2e8p h LEU 70 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2e8p h LEU 70 Cb 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2e8p h LEU 70 CO 0.06 0.00 -0.15 0.03 0.09 0.00 0.00 178.44 178.48 2e8p h ARG 71 N 0.00 0.00 0.00 1.13 3.08 -0.99 -0.48 114.38 117.12 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 0.15 -1.04 1.28 -1.07 0.00 0.00 179.97 179.29 2e8p n LEU 72 N -3.14 0.63 -0.08 3.04 4.32 0.81 -1.99 117.00 120.59 2e8p n LEU 72 Ca 0.03 0.10 -0.06 0.00 -0.02 0.00 0.00 56.01 56.06 2e8p n LEU 72 Cb 0.58 -0.09 -0.15 0.00 -1.62 0.00 0.00 43.42 42.13 2e8p n LEU 72 CO 0.36 -0.03 -1.06 0.52 -1.22 0.00 0.00 177.39 175.95 2e8p n VAL 73 N -2.18 1.10 -1.34 4.08 0.31 -0.51 -4.47 118.33 115.31 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 0.47 -0.41 0.15 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 -4.91 3.52 3.72 -0.19 -2.04 117.46 114.93 2e8p n PHE 74 Ca -0.27 -1.12 0.00 0.00 -0.05 0.00 0.00 57.45 56.02 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 -1.20 1.04 0.00 1.37 0.00 -0.84 -2.32 105.19 103.23 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 -2.47 135.00 133.18 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 0.25 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 -1.01 1.53 5.85 -1.78 -3.23 115.31 116.67 2e8p h LEU 77 Ca 0.00 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.89 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 0.62 1.23 -0.34 0.00 0.00 178.44 180.32 2e8p h GLY 78 N 2.63 1.76 0.40 3.75 0.00 -1.50 0.15 103.07 110.26 2e8p h GLY 78 Ca -0.00 -0.38 0.23 0.00 0.00 0.00 0.00 47.33 47.18 2e8p h GLY 78 CO 0.05 -0.01 0.57 -1.80 0.00 0.00 0.00 176.54 175.35 2e8p h ASP 79 N 0.82 0.00 0.07 0.19 3.58 -1.80 0.22 116.42 119.49 2e8p h ASP 79 Ca 0.56 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.73 2e8p h ASP 79 Cb 0.81 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.84 2e8p h ASP 79 CO -0.36 0.00 -1.50 1.56 -2.88 0.00 0.00 179.24 176.06 2e8p h GLN 80 N 0.00 0.15 -0.96 0.28 1.08 -0.97 -3.33 115.11 111.37 2e8p h GLN 80 Ca 0.38 -0.25 0.05 0.00 -1.45 0.00 0.00 58.65 57.38 2e8p h GLN 80 Cb 1.52 0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 28.98 2e8p h GLN 80 CO -0.01 1.12 0.62 -0.07 -0.95 0.00 0.00 178.83 179.54 2e8p h LEU 81 N -0.49 1.01 0.05 1.46 3.38 -0.44 -2.57 115.31 117.71 2e8p h LEU 81 Ca -0.35 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.63 2e8p h LEU 81 Cb 1.64 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.16 2e8p h LEU 81 CO -0.04 0.66 -0.13 -0.74 0.09 0.00 0.00 178.44 178.28 2e8p h HIS 82 N 1.16 -0.34 -0.82 1.13 2.76 -0.78 -0.90 115.15 117.37 2e8p h HIS 82 Ca 0.40 0.01 0.21 0.00 -2.20 0.00 0.00 60.37 58.79 2e8p h HIS 82 Cb 0.10 0.14 -0.05 0.00 1.55 0.00 0.00 27.41 29.15 2e8p h HIS 82 CO -0.01 -0.20 0.56 0.00 -1.30 0.00 0.00 177.93 176.98 2e8p h ALA 83 N 0.66 2.45 0.15 5.26 0.00 -1.57 -0.57 119.26 125.64 2e8p h ALA 83 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2e8p h ALA 83 Cb 0.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2e8p h ALA 83 CO -0.09 -0.69 -0.07 1.96 0.00 0.00 0.00 179.25 180.35 2e8p h GLN 84 N 0.21 -0.19 -0.49 0.00 1.08 -1.07 -3.17 115.11 111.47 2e8p h GLN 84 Ca 0.41 0.01 0.14 0.00 -1.45 0.00 0.00 58.65 57.76 2e8p h GLN 84 Cb 1.27 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.73 2e8p h GLN 84 CO -0.09 0.23 0.38 -0.07 -0.95 0.00 0.00 178.83 178.33 2e8p h LEU 85 N -0.90 0.00 -1.13 1.46 3.38 -0.51 0.24 115.31 117.85 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 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2e8p h LEU 85 CO 0.03 0.00 -0.42 0.03 0.09 0.00 0.00 178.44 178.17 2e8p h ARG 86 N 0.00 0.02 0.06 1.13 3.08 -1.15 -2.87 114.38 114.65 2e8p h ARG 86 Ca 0.23 -0.01 -0.26 0.00 0.07 0.00 0.00 59.98 60.01 2e8p h ARG 86 Cb 0.98 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 2e8p h ARG 86 CO -0.00 0.44 -1.32 -0.44 -1.07 0.00 0.00 179.97 177.58 2e8p h ASP 87 N 0.02 0.19 -0.84 7.04 5.19 -0.53 -2.08 116.42 125.41 2e8p h ASP 87 Ca -0.00 -0.24 -0.02 0.00 -0.62 0.00 0.00 57.03 56.15 2e8p h ASP 87 Cb 0.76 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 40.17 2e8p h ASP 87 CO 0.06 1.20 0.46 -0.07 -3.12 0.00 0.00 179.24 177.76 2e8p h LEU 88 N 0.03 1.05 0.07 1.55 3.38 -1.16 -0.28 115.31 119.95 2e8p h LEU 88 Ca -0.15 -0.09 -0.30 0.00 0.09 0.00 0.00 57.88 57.43 2e8p h LEU 88 Cb 1.92 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 42.38 2e8p h LEU 88 CO 0.14 0.85 -1.59 0.71 0.09 0.00 0.00 178.44 178.64 2e8p h THR 89 N 1.18 1.04 0.64 0.22 1.35 -1.61 -3.39 112.91 112.35 2e8p h THR 89 Ca 0.30 -2.78 -0.03 0.00 -0.55 0.00 0.00 66.41 63.35 2e8p h THR 89 Cb 0.03 2.62 0.01 0.00 -1.73 0.00 0.00 68.15 69.08 2e8p h THR 89 CO -0.05 0.74 -0.31 0.28 -0.25 0.00 0.00 175.52 175.93 2e8p h SER 90 N 0.04 -0.73 -2.77 5.36 0.02 -1.19 -3.47 113.55 110.81 2e8p h SER 90 Ca -0.25 -0.02 0.11 0.00 -0.84 0.00 0.00 61.79 60.78 2e8p h SER 90 Cb 1.99 0.19 -0.28 0.00 0.14 0.00 0.00 62.40 64.44 2e8p h SER 90 CO 0.12 -0.40 0.53 -0.55 -1.14 0.00 0.00 176.83 175.38 2e8p s SER 91 N -4.53 -0.37 0.00 3.07 0.15 -0.13 -5.07 113.70 106.81 2e8p s SER 91 Ca -0.16 0.68 0.17 0.00 0.70 0.00 0.00 55.95 57.34 2e8p s SER 91 Cb 0.02 0.83 1.01 0.00 -1.71 0.00 0.00 66.02 66.18 2e8p s SER 91 CO 0.52 -0.11 1.42 -1.54 1.20 0.00 0.00 173.24 174.73