#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dfh s LYS 2 N 0.00 3.61 -0.15 0.03 -0.14 -1.26 -1.44 119.74 120.39 2dfh s LYS 2 Ca 0.00 -0.53 -0.08 0.00 -1.36 0.00 0.00 55.97 54.00 2dfh s LYS 2 Cb 0.00 -3.56 -0.04 0.00 -1.68 0.00 0.00 37.83 32.55 2dfh s LYS 2 CO 0.00 -0.29 0.13 0.42 -0.76 0.00 0.00 175.35 174.84 2dfh s ILE 3 N 1.67 5.41 0.15 2.17 -1.09 0.76 -0.56 121.20 129.71 2dfh s ILE 3 Ca 0.06 0.18 0.10 0.00 -2.23 0.00 0.00 60.65 58.76 2dfh s ILE 3 Cb -0.16 -3.39 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 2dfh s ILE 3 CO 0.07 0.56 -0.23 0.00 -1.23 0.00 0.00 174.94 174.11 2dfh s ALA 4 N -0.55 2.28 0.04 9.38 0.00 -0.26 -0.51 121.76 132.14 2dfh s ALA 4 Ca 0.12 -1.50 0.04 0.00 0.00 0.00 0.00 51.96 50.63 2dfh s ALA 4 Cb -0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 2dfh s ALA 4 CO 0.02 0.42 -0.13 0.20 0.00 0.00 0.00 175.76 176.27 2dfh s GLY 5 N -2.35 0.74 -0.14 0.00 0.00 -0.27 -0.69 107.32 104.61 2dfh s GLY 5 Ca 0.15 -0.82 -0.11 0.00 0.00 0.00 0.00 44.72 43.94 2dfh s GLY 5 CO 0.07 -0.82 0.35 -1.50 0.00 0.00 0.00 173.10 171.21 2dfh s ILE 6 N -0.97 -0.01 0.34 0.90 2.07 -0.53 -0.46 121.20 122.54 2dfh s ILE 6 Ca -0.01 0.03 -0.10 0.00 -1.41 0.00 0.00 60.65 59.17 2dfh s ILE 6 Cb -0.08 -0.50 0.02 0.00 0.13 0.00 0.00 42.46 42.02 2dfh s ILE 6 CO 0.01 0.01 0.60 -0.62 -1.91 0.00 0.00 174.94 173.03 2dfh s ASP 7 N 0.50 0.40 0.10 4.50 -1.08 -0.82 -2.45 116.67 117.82 2dfh s ASP 7 Ca -0.03 -1.25 -0.01 0.00 -0.52 0.00 0.00 52.55 50.75 2dfh s ASP 7 Cb -0.04 0.72 -0.04 0.00 -1.46 0.00 0.00 42.92 42.10 2dfh s ASP 7 CO -0.03 -1.42 0.02 -1.83 0.52 0.00 0.00 175.17 172.43 2dfh s GLU 8 N -2.97 0.82 0.10 4.34 -1.05 -1.26 -0.81 118.70 117.87 2dfh s GLU 8 Ca 0.23 -1.36 0.00 0.00 -0.15 0.00 0.00 54.97 53.69 2dfh s GLU 8 Cb -0.02 0.19 -0.04 0.00 -0.44 0.00 0.00 34.13 33.81 2dfh s GLU 8 CO 0.15 -0.19 -0.02 0.00 0.95 0.00 0.00 175.26 176.15 2dfh s ALA 9 N -3.96 0.84 -0.80 -0.84 0.00 0.14 -4.91 121.76 112.23 2dfh s ALA 9 Ca 0.17 -1.36 -0.00 0.00 0.00 0.00 0.00 51.96 50.78 2dfh s ALA 9 Cb 0.08 0.38 -0.00 0.00 0.00 0.00 0.00 23.12 23.58 2dfh s ALA 9 CO -0.03 -0.34 0.67 0.41 0.00 0.00 0.00 175.76 176.47 2dfh n GLY 10 N -0.02 -0.10 0.14 0.00 0.00 -1.26 -0.75 105.19 103.20 2dfh n GLY 10 Ca -0.11 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 2dfh n GLY 10 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2dfh h ARG 11 N -1.26 0.31 0.00 1.61 2.43 -1.92 -3.36 114.38 112.19 2dfh h ARG 11 Ca -0.39 -0.54 0.00 0.00 -0.81 0.00 0.00 59.98 58.24 2dfh h ARG 11 Cb 1.23 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.98 2dfh h ARG 11 CO 0.33 1.25 -0.87 0.41 -1.51 0.00 0.00 179.97 179.58 2dfh n GLY 12 N 1.93 -1.14 3.77 2.80 0.00 -1.26 -4.97 105.19 106.32 2dfh n GLY 12 Ca -0.29 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 2dfh n GLY 12 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dfh s PRO 13 N -3.07 3.18 0.06 1.61 0.04 -1.26 -4.60 135.00 130.97 2dfh s PRO 13 Ca 0.07 1.63 0.24 0.00 0.04 0.00 0.00 61.00 62.98 2dfh s PRO 13 Cb 0.16 -1.98 0.20 0.00 0.04 0.00 0.00 34.50 32.92 2dfh s PRO 13 CO 0.80 -0.99 1.17 1.55 0.04 0.00 0.00 177.00 179.56 2dfh n VAL 14 N -1.53 0.19 -5.14 -0.36 3.14 0.70 -4.85 118.33 110.48 2dfh n VAL 14 Ca 0.12 -0.21 -0.32 0.00 -2.96 0.00 0.00 64.34 60.97 2dfh n VAL 14 Cb 0.51 0.14 -0.15 0.00 -1.06 0.00 0.00 33.84 33.27 2dfh n VAL 14 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2dfh s ILE 15 N -3.15 2.42 0.00 1.55 1.01 -1.08 -0.69 121.20 121.25 2dfh s ILE 15 Ca 0.06 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.75 2dfh s ILE 15 Cb 0.15 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.72 2dfh s ILE 15 CO 0.76 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.89 2dfh n GLY 16 N 2.58 -0.01 3.90 6.18 0.00 -0.46 -4.79 105.19 112.60 2dfh n GLY 16 Ca -0.17 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 43.78 2dfh n GLY 16 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dfh s PRO 17 N -2.12 2.40 -0.14 1.61 0.04 -1.26 -4.04 135.00 131.48 2dfh s PRO 17 Ca 0.00 0.23 -0.06 0.00 0.04 0.00 0.00 61.00 61.21 2dfh s PRO 17 Cb 0.00 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 2dfh s PRO 17 CO 0.00 -1.30 0.08 1.41 0.04 0.00 0.00 177.00 177.23 2dfh s MET 18 N -5.44 3.62 -0.11 4.56 1.75 -0.60 -4.66 119.30 118.42 2dfh s MET 18 Ca 0.60 -0.29 0.02 0.00 -1.25 0.00 0.00 55.69 54.77 2dfh s MET 18 Cb -0.11 -3.13 -0.01 0.00 2.84 0.00 0.00 34.83 34.43 2dfh s MET 18 CO 0.50 0.52 -0.19 0.08 -0.65 0.00 0.00 175.02 175.28 2dfh s VAL 19 N -0.32 2.52 -0.13 10.11 1.01 0.07 -0.81 120.40 132.85 2dfh s VAL 19 Ca 0.09 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.24 2dfh s VAL 19 Cb -0.12 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.26 2dfh s VAL 19 CO 0.01 0.54 -0.22 -0.63 0.00 0.00 0.00 175.10 174.81 2dfh s ILE 20 N 0.34 2.09 -0.05 2.22 1.01 -0.62 0.28 121.20 126.46 2dfh s ILE 20 Ca -0.15 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.56 2dfh s ILE 20 Cb -0.17 -1.82 -0.00 0.00 0.01 0.00 0.00 42.46 40.47 2dfh s ILE 20 CO 0.07 0.55 -0.19 0.00 0.00 0.00 0.00 174.94 175.38 2dfh s ALA 21 N 0.67 1.69 -0.09 9.38 0.00 0.01 -0.84 121.76 132.59 2dfh s ALA 21 Ca -0.11 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.13 2dfh s ALA 21 Cb -0.16 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.38 2dfh s ALA 21 CO 0.01 0.29 -0.19 0.00 0.00 0.00 0.00 175.76 175.87 2dfh s ALA 22 N 0.10 1.84 0.19 0.00 0.00 0.48 -1.94 121.76 122.43 2dfh s ALA 22 Ca -0.07 -0.77 0.11 0.00 0.00 0.00 0.00 51.96 51.24 2dfh s ALA 22 Cb -0.13 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 2dfh s ALA 22 CO 0.03 0.20 -0.24 0.14 0.00 0.00 0.00 175.76 175.90 2dfh s VAL 23 N 0.49 2.36 -0.07 0.00 -7.23 0.39 -0.65 120.40 115.69 2dfh s VAL 23 Ca -0.17 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 57.98 2dfh s VAL 23 Cb -0.17 -2.13 0.02 0.00 0.56 0.00 0.00 36.38 34.66 2dfh s VAL 23 CO 0.06 -0.11 -0.06 -0.69 -0.31 0.00 0.00 175.10 173.99 2dfh s VAL 24 N -1.66 0.78 0.05 1.32 1.01 -0.37 -1.12 120.40 120.41 2dfh s VAL 24 Ca 0.21 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.02 2dfh s VAL 24 Cb -0.08 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 2dfh s VAL 24 CO 0.10 0.30 -0.11 0.54 0.00 0.00 0.00 175.10 175.93 2dfh s VAL 25 N 1.25 0.82 0.37 2.92 0.11 0.33 -0.13 120.40 126.07 2dfh s VAL 25 Ca -0.05 -1.16 -0.23 0.00 -2.93 0.00 0.00 61.98 57.62 2dfh s VAL 25 Cb -0.14 -0.83 -0.10 0.00 -1.53 0.00 0.00 36.38 33.78 2dfh s VAL 25 CO -0.02 -0.28 0.93 -0.62 -3.33 0.00 0.00 175.10 171.78 2dfh s ASP 26 N -1.59 7.10 0.47 3.54 -1.08 -1.26 -0.17 116.67 123.68 2dfh s ASP 26 Ca -0.06 1.72 0.23 0.00 -0.52 0.00 0.00 52.55 53.93 2dfh s ASP 26 Cb -0.10 -2.54 1.26 0.00 -1.46 0.00 0.00 42.92 40.08 2dfh s ASP 26 CO 0.01 -0.21 1.89 -0.33 0.52 0.00 0.00 175.17 177.05 2dfh h GLU 27 N 2.51 0.21 0.00 4.34 5.08 -1.63 0.28 114.58 125.38 2dfh h GLU 27 Ca -0.48 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2dfh h GLU 27 Cb 1.18 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2dfh h GLU 27 CO 0.63 0.14 0.00 -0.91 -1.00 0.00 0.00 179.01 177.87 2dfh h ASN 28 N 0.22 0.00 -0.01 1.42 -0.26 -1.92 -2.78 115.58 112.25 2dfh h ASN 28 Ca 0.42 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.16 2dfh h ASN 28 Cb 1.32 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.58 2dfh h ASN 28 CO -0.09 0.00 -0.25 -1.20 -1.06 0.00 0.00 177.43 174.82 2dfh n SER 29 N -2.50 1.76 -0.24 5.81 7.64 0.96 -4.62 113.62 122.44 2dfh n SER 29 Ca 0.01 -1.38 0.04 0.00 1.01 0.00 0.00 58.87 58.56 2dfh n SER 29 Cb 0.24 0.37 0.16 0.00 -1.01 0.00 0.00 64.21 63.97 2dfh n SER 29 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2dfh h LEU 30 N 2.06 -0.08 -1.05 -3.43 3.38 -1.18 -1.36 115.31 113.64 2dfh h LEU 30 Ca 0.00 0.15 0.16 0.00 0.09 0.00 0.00 57.88 58.29 2dfh h LEU 30 Cb 0.56 0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.44 2dfh h LEU 30 CO 0.00 -0.07 0.62 -0.65 0.09 0.00 0.00 178.44 178.43 2dfh h PRO 31 N 0.22 0.80 -0.72 1.13 0.11 -1.82 -1.88 132.00 129.84 2dfh h PRO 31 Ca 0.39 -0.05 0.11 0.00 0.11 0.00 0.00 66.00 66.57 2dfh h PRO 31 Cb 0.67 -0.18 -0.08 0.00 0.11 0.00 0.00 31.00 31.52 2dfh h PRO 31 CO -0.53 0.53 0.33 0.87 -0.21 0.00 0.00 178.00 178.99 2dfh h LYS 32 N 0.83 0.52 -0.67 1.05 1.57 -1.58 0.37 116.57 118.66 2dfh h LYS 32 Ca 0.54 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.31 2dfh h LYS 32 Cb 0.76 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 2dfh h LYS 32 CO -0.32 0.34 0.43 -0.07 -0.57 0.00 0.00 179.45 179.26 2dfh h LEU 33 N 0.53 0.71 -0.87 2.94 3.38 -1.41 0.15 115.31 120.74 2dfh h LEU 33 Ca 0.37 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.22 2dfh h LEU 33 Cb 0.46 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2dfh h LEU 33 CO -0.32 0.50 -0.49 -0.33 0.09 0.00 0.00 178.44 177.89 2dfh h GLU 34 N 0.85 0.17 0.00 1.13 5.08 -1.20 -2.41 114.58 118.20 2dfh h GLU 34 Ca 0.26 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 2dfh h GLU 34 Cb -0.02 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2dfh h GLU 34 CO -0.09 0.63 -0.31 0.93 -1.00 0.00 0.00 179.01 179.16 2dfh h GLU 35 N 0.14 0.00 -0.00 2.33 5.08 0.86 -2.04 114.58 120.95 2dfh h GLU 35 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2dfh h GLU 35 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2dfh h GLU 35 CO 0.07 0.31 -0.06 1.28 -1.00 0.00 0.00 179.01 179.62 2dfh n LEU 36 N -3.60 0.09 -3.52 1.33 4.77 0.42 -4.95 117.00 111.54 2dfh n LEU 36 Ca -0.01 0.35 -0.22 0.00 -0.03 0.00 0.00 56.01 56.11 2dfh n LEU 36 Cb 0.44 -0.39 0.05 0.00 -2.33 0.00 0.00 43.42 41.20 2dfh n LEU 36 CO 0.35 0.02 -0.02 2.29 -1.33 0.00 0.00 177.39 178.71 2dfh n LYS 37 N -1.39 -3.24 0.18 3.23 -0.00 -0.77 -4.91 118.16 111.26 2dfh n LYS 37 Ca 0.10 0.68 0.05 0.00 -0.00 0.00 0.00 58.31 59.14 2dfh n LYS 37 Cb 0.31 -5.18 0.23 0.00 -0.00 0.00 0.00 35.03 30.38 2dfh n LYS 37 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 2dfh h VAL 38 N -1.62 0.78 0.00 0.58 -1.51 -1.81 -3.27 116.25 109.40 2dfh h VAL 38 Ca -0.62 -1.72 0.00 0.00 -1.23 0.00 0.00 66.70 63.13 2dfh h VAL 38 Cb 1.34 2.11 0.00 0.00 -2.13 0.00 0.00 31.29 32.61 2dfh h VAL 38 CO 0.49 0.38 0.00 0.54 -1.23 0.00 0.00 177.57 177.76 2dfh n ARG 39 N -3.36 0.96 -0.76 5.19 1.74 -1.26 -2.77 116.66 116.40 2dfh n ARG 39 Ca 0.01 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.06 2dfh n ARG 39 Cb 0.59 -1.02 -0.03 0.00 -1.02 0.00 0.00 32.46 30.98 2dfh n ARG 39 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2dfh n ASP 40 N 0.69 -0.46 0.01 0.55 4.64 -1.23 -4.94 116.55 115.81 2dfh n ASP 40 Ca 0.00 -1.52 0.12 0.00 -1.38 0.00 0.00 54.79 52.01 2dfh n ASP 40 Cb 0.48 0.13 0.27 0.00 -1.04 0.00 0.00 41.12 40.96 2dfh n ASP 40 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 2dfh n SER 41 N 0.01 0.49 -0.01 1.67 3.41 -1.11 -4.12 113.62 113.95 2dfh n SER 41 Ca -0.13 -0.11 0.04 0.00 -0.26 0.00 0.00 58.87 58.41 2dfh n SER 41 Cb 0.61 0.17 0.42 0.00 -0.26 0.00 0.00 64.21 65.15 2dfh n SER 41 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2dfh h LYS 42 N 0.00 0.55 -0.00 4.33 1.57 -1.92 -1.44 116.57 119.66 2dfh h LYS 42 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2dfh h LYS 42 Cb 0.55 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2dfh h LYS 42 CO 0.00 0.36 -0.06 1.63 -0.57 0.00 0.00 179.45 180.81 2dfh n LYS 43 N -4.47 0.78 -1.68 3.15 5.02 -1.26 -4.90 118.16 114.80 2dfh n LYS 43 Ca 0.04 -0.21 -0.31 0.00 -2.02 0.00 0.00 58.31 55.80 2dfh n LYS 43 Cb 0.07 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.62 2dfh n LYS 43 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dfh s LEU 44 N -2.36 3.20 0.44 -0.35 1.43 -0.54 -5.06 118.68 115.44 2dfh s LEU 44 Ca 0.33 1.62 -0.09 0.00 -1.03 0.00 0.00 54.13 54.96 2dfh s LEU 44 Cb 0.21 -4.50 -0.05 0.00 0.03 0.00 0.00 46.19 41.87 2dfh s LEU 44 CO 0.44 -1.33 0.79 0.42 0.23 0.00 0.00 176.35 176.90 2dfh s THR 45 N -2.97 4.82 0.24 5.49 -4.23 -1.26 -4.85 115.64 112.88 2dfh s THR 45 Ca 0.58 0.49 -0.07 0.00 -1.18 0.00 0.00 61.69 61.52 2dfh s THR 45 Cb -0.14 -3.78 0.23 0.00 1.34 0.00 0.00 72.50 70.15 2dfh s THR 45 CO 0.52 -0.66 1.67 -0.65 -0.54 0.00 0.00 174.62 174.96 2dfh h PRO 46 N 0.83 0.19 -0.63 3.99 0.11 -1.97 0.21 132.00 134.73 2dfh h PRO 46 Ca -0.47 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 2dfh h PRO 46 Cb 1.19 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2dfh h PRO 46 CO 0.63 0.13 0.05 0.87 -0.21 0.00 0.00 178.00 179.47 2dfh h LYS 47 N 0.20 1.07 -0.01 1.05 1.57 -1.99 -1.28 116.57 117.18 2dfh h LYS 47 Ca 0.39 -0.31 -0.17 0.00 -1.87 0.00 0.00 60.65 58.69 2dfh h LYS 47 Cb 0.67 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 2dfh h LYS 47 CO -0.54 1.02 -0.79 0.00 -0.57 0.00 0.00 179.45 178.57 2dfh h ARG 48 N 0.99 0.12 0.00 3.15 3.08 -1.74 -2.60 114.38 117.39 2dfh h ARG 48 Ca 0.19 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 2dfh h ARG 48 Cb 0.50 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 2dfh h ARG 48 CO 0.02 0.84 -0.16 -0.09 -1.07 0.00 0.00 179.97 179.52 2dfh h ARG 49 N 0.08 0.00 -0.00 0.04 2.43 -0.42 -1.84 114.38 114.67 2dfh h ARG 49 Ca -0.02 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.00 2dfh h ARG 49 Cb 1.38 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.90 2dfh h ARG 49 CO 0.11 0.16 -0.69 1.49 -1.51 0.00 0.00 179.97 179.54 2dfh h GLU 50 N 0.00 0.01 0.02 0.20 4.81 -0.90 0.12 114.58 118.83 2dfh h GLU 50 Ca -0.00 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2dfh h GLU 50 Cb 0.71 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.09 2dfh h GLU 50 CO 0.02 0.69 -0.01 0.87 -0.73 0.00 0.00 179.01 179.85 2dfh h LYS 51 N 0.00 -0.02 -0.72 1.92 1.79 -1.00 -1.71 116.57 116.83 2dfh h LYS 51 Ca -0.01 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 2dfh h LYS 51 Cb 1.21 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.82 2dfh h LYS 51 CO 0.09 0.24 0.44 1.25 -1.08 0.00 0.00 179.45 180.39 2dfh h LEU 52 N -0.29 0.70 -0.15 2.94 6.46 -1.24 -1.74 115.31 122.01 2dfh h LEU 52 Ca -0.00 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.81 2dfh h LEU 52 Cb 0.27 -0.14 -0.07 0.00 -0.73 0.00 0.00 40.66 40.00 2dfh h LEU 52 CO 0.00 0.47 -0.42 0.15 -0.62 0.00 0.00 178.44 178.03 2dfh h PHE 53 N 0.84 -1.20 -0.84 1.25 3.57 -0.67 0.38 116.94 120.27 2dfh h PHE 53 Ca 0.30 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.86 2dfh h PHE 53 Cb 0.08 0.55 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 2dfh h PHE 53 CO -0.05 -0.47 0.54 -0.91 -2.23 0.00 0.00 178.31 175.19 2dfh h ASN 54 N -0.48 0.97 -0.25 0.41 2.35 -0.88 -1.93 115.58 115.77 2dfh h ASN 54 Ca 0.08 -0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 2dfh h ASN 54 Cb 0.62 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 2dfh h ASN 54 CO -0.41 0.71 -0.18 -0.33 -1.65 0.00 0.00 177.43 175.57 2dfh h GLU 55 N 1.14 0.70 -0.35 0.81 5.08 -0.37 -2.91 114.58 118.68 2dfh h GLU 55 Ca 0.31 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2dfh h GLU 55 Cb -0.11 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2dfh h GLU 55 CO -0.06 0.84 0.17 0.82 -1.00 0.00 0.00 179.01 179.77 2dfh h ILE 56 N 0.62 1.16 -0.16 3.13 2.04 0.40 -2.42 117.51 122.28 2dfh h ILE 56 Ca 0.10 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.54 2dfh h ILE 56 Cb 0.66 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2dfh h ILE 56 CO 0.05 0.17 0.25 -0.07 0.00 0.00 0.00 178.15 178.55 2dfh h LEU 57 N 0.42 0.00 -0.68 1.44 3.38 -1.18 -1.38 115.31 117.32 2dfh h LEU 57 Ca 0.12 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 2dfh h LEU 57 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2dfh h LEU 57 CO -0.01 0.00 -0.31 1.23 0.09 0.00 0.00 178.44 179.43 2dfh h GLY 58 N 0.00 0.00 0.00 0.83 0.00 -1.36 -3.22 103.07 99.32 2dfh h GLY 58 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2dfh h GLY 58 CO -0.00 0.00 -1.14 3.33 0.00 0.00 0.00 176.54 178.73 2dfh n VAL 59 N -3.33 0.00 -2.56 4.60 0.24 -0.54 -4.96 118.33 111.78 2dfh n VAL 59 Ca 0.01 -0.08 -0.38 0.00 -2.04 0.00 0.00 64.34 61.85 2dfh n VAL 59 Cb 0.54 0.85 -0.04 0.00 -1.47 0.00 0.00 33.84 33.71 2dfh n VAL 59 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2dfh s LEU 60 N -3.22 4.29 0.05 1.34 1.43 -1.10 -4.74 118.68 116.73 2dfh s LEU 60 Ca 0.05 2.08 0.11 0.00 -1.03 0.00 0.00 54.13 55.35 2dfh s LEU 60 Cb 0.15 -3.99 -0.19 0.00 0.03 0.00 0.00 46.19 42.19 2dfh s LEU 60 CO 0.86 -0.33 0.96 0.44 0.23 0.00 0.00 176.35 178.52 2dfh h ASP 61 N 2.99 0.00 -5.16 2.29 3.45 -0.86 -3.49 116.42 115.64 2dfh h ASP 61 Ca -0.48 0.00 0.21 0.00 0.43 0.00 0.00 57.03 57.20 2dfh h ASP 61 Cb 1.21 0.00 -0.12 0.00 -0.56 0.00 0.00 39.33 39.86 2dfh h ASP 61 CO 0.64 0.91 0.62 -0.62 -1.57 0.00 0.00 179.24 179.22 2dfh s ASP 62 N -6.30 -0.18 -0.11 6.45 2.15 -1.12 -4.94 116.67 112.61 2dfh s ASP 62 Ca -0.02 -0.20 -0.31 0.00 0.43 0.00 0.00 52.55 52.46 2dfh s ASP 62 Cb 0.09 0.34 0.12 0.00 -0.30 0.00 0.00 42.92 43.17 2dfh s ASP 62 CO 0.82 -0.60 1.02 -0.72 -0.17 0.00 0.00 175.17 175.51 2dfh s TYR 63 N -2.92 -0.29 -0.04 -5.34 -0.85 -1.26 -1.23 117.35 105.42 2dfh s TYR 63 Ca 0.11 0.30 0.00 0.00 -0.52 0.00 0.00 57.07 56.97 2dfh s TYR 63 Cb 0.00 0.50 0.03 0.00 0.38 0.00 0.00 41.96 42.87 2dfh s TYR 63 CO -0.03 -0.37 -0.01 0.08 -1.52 0.00 0.00 175.55 173.70 2dfh s VAL 64 N -2.21 0.28 -0.19 -3.49 1.01 0.17 -4.96 120.40 111.01 2dfh s VAL 64 Ca 0.04 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.09 2dfh s VAL 64 Cb -0.01 -0.38 0.03 0.00 0.00 0.00 0.00 36.38 36.02 2dfh s VAL 64 CO -0.05 0.18 -0.17 -0.63 0.00 0.00 0.00 175.10 174.44 2dfh s ILE 65 N 1.18 1.95 -0.27 2.22 1.01 -1.26 -0.39 121.20 125.64 2dfh s ILE 65 Ca -0.07 -0.99 -0.06 0.00 0.00 0.00 0.00 60.65 59.53 2dfh s ILE 65 Cb -0.13 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.50 2dfh s ILE 65 CO -0.02 0.42 0.05 -0.76 0.00 0.00 0.00 174.94 174.62 2dfh s LEU 66 N 1.31 3.59 -0.44 2.97 1.43 -0.02 -4.99 118.68 122.53 2dfh s LEU 66 Ca 0.03 -0.62 -0.15 0.00 -1.03 0.00 0.00 54.13 52.36 2dfh s LEU 66 Cb -0.14 -1.84 0.05 0.00 0.03 0.00 0.00 46.19 44.29 2dfh s LEU 66 CO -0.11 -0.14 0.34 -0.70 0.23 0.00 0.00 176.35 175.97 2dfh s GLU 67 N 1.49 2.95 -0.44 1.70 2.12 -1.26 -1.59 118.70 123.67 2dfh s GLU 67 Ca 0.03 -1.22 -0.20 0.00 0.36 0.00 0.00 54.97 53.94 2dfh s GLU 67 Cb -0.16 -4.03 0.02 0.00 0.26 0.00 0.00 34.13 30.22 2dfh s GLU 67 CO 0.01 -0.90 0.62 -0.51 -0.54 0.00 0.00 175.26 173.94 2dfh s LEU 68 N 1.64 4.56 0.51 2.70 1.43 0.01 -4.94 118.68 124.59 2dfh s LEU 68 Ca 0.04 -0.40 -0.22 0.00 -1.03 0.00 0.00 54.13 52.52 2dfh s LEU 68 Cb -0.22 -2.68 -0.07 0.00 0.03 0.00 0.00 46.19 43.25 2dfh s LEU 68 CO 0.08 -0.76 1.17 -0.81 0.23 0.00 0.00 176.35 176.25 2dfh n PRO 69 N 6.18 1.47 -0.05 1.29 -0.04 -1.26 -1.55 135.00 141.04 2dfh n PRO 69 Ca -0.02 0.54 0.25 0.00 -0.04 0.00 0.00 63.50 64.22 2dfh n PRO 69 Cb 0.48 -2.32 0.69 0.00 -0.04 0.00 0.00 33.50 32.30 2dfh n PRO 69 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2dfh h PRO 70 N 1.35 0.00 -0.19 0.54 0.13 -1.88 -1.21 132.00 130.75 2dfh h PRO 70 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 2dfh h PRO 70 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 2dfh h PRO 70 CO 0.56 0.00 -0.06 0.22 -0.23 0.00 0.00 178.00 178.49 2dfh h ASP 71 N 0.00 0.38 -0.32 1.44 3.58 -1.89 -2.27 116.42 117.34 2dfh h ASP 71 Ca 0.32 -0.39 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 2dfh h ASP 71 Cb 1.66 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.59 2dfh h ASP 71 CO -0.00 0.67 0.17 0.58 -2.88 0.00 0.00 179.24 177.78 2dfh h VAL 72 N 0.07 1.14 -0.46 2.25 2.07 -1.57 -1.43 116.25 118.33 2dfh h VAL 72 Ca 0.04 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.19 2dfh h VAL 72 Cb 0.52 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2dfh h VAL 72 CO 0.02 0.15 0.31 0.40 0.02 0.00 0.00 177.57 178.46 2dfh h ILE 73 N 0.39 1.10 0.00 4.57 2.04 -1.53 -1.10 117.51 122.97 2dfh h ILE 73 Ca 0.11 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2dfh h ILE 73 Cb 0.08 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2dfh h ILE 73 CO -0.02 0.11 -0.17 0.61 0.00 0.00 0.00 178.15 178.69 2dfh n GLY 74 N -1.47 -1.44 1.23 5.37 0.00 -0.86 -3.68 105.19 104.34 2dfh n GLY 74 Ca 0.04 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 2dfh n GLY 74 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dfh n SER 75 N -1.57 2.97 -4.83 1.61 7.64 -0.44 -4.72 113.62 114.28 2dfh n SER 75 Ca 0.06 -3.82 -0.32 0.00 1.01 0.00 0.00 58.87 55.80 2dfh n SER 75 Cb 0.35 -0.57 -0.05 0.00 -1.01 0.00 0.00 64.21 62.93 2dfh n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dfh s ARG 76 N -3.35 4.05 -0.05 1.43 1.70 -1.09 -4.98 118.95 116.66 2dfh s ARG 76 Ca 0.45 1.01 -0.08 0.00 -0.47 0.00 0.00 55.73 56.65 2dfh s ARG 76 Cb 0.40 -2.15 -0.04 0.00 -0.57 0.00 0.00 34.95 32.59 2dfh s ARG 76 CO -0.02 -0.18 0.35 1.49 -1.08 0.00 0.00 175.30 175.87 2dfh h GLU 77 N 1.29 -0.26 0.00 3.89 4.57 -1.94 -3.48 114.58 118.64 2dfh h GLU 77 Ca -0.48 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 2dfh h GLU 77 Cb 1.18 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 2dfh h GLU 77 CO 0.61 -0.18 0.00 0.41 -1.18 0.00 0.00 179.01 178.68 2dfh n GLY 78 N 1.01 1.49 3.90 1.92 0.00 -1.26 -5.09 105.19 107.15 2dfh n GLY 78 Ca -0.03 -1.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 2dfh n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dfh s THR 79 N 2.38 3.55 0.46 2.61 -4.23 -1.26 -4.92 115.64 114.23 2dfh s THR 79 Ca 0.00 0.28 0.16 0.00 -1.18 0.00 0.00 61.69 60.94 2dfh s THR 79 Cb 0.00 -3.47 0.21 0.00 1.34 0.00 0.00 72.50 70.58 2dfh s THR 79 CO 0.00 -0.56 2.03 0.25 -0.54 0.00 0.00 174.62 175.80 2dfh h LEU 80 N -0.45 0.00 -0.30 4.79 6.46 -1.98 -1.63 115.31 122.20 2dfh h LEU 80 Ca -0.45 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.19 2dfh h LEU 80 Cb 1.25 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.18 2dfh h LEU 80 CO 0.62 0.14 -0.27 0.78 -0.62 0.00 0.00 178.44 179.10 2dfh h ASN 81 N 0.00 0.76 -0.17 1.25 2.35 -1.99 -0.72 115.58 117.06 2dfh h ASN 81 Ca -0.00 -0.46 -0.08 0.00 -0.55 0.00 0.00 56.30 55.21 2dfh h ASN 81 Cb 0.26 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 2dfh h ASN 81 CO 0.02 1.06 -0.14 -0.33 -1.65 0.00 0.00 177.43 176.39 2dfh h GLU 82 N 0.47 0.55 -0.64 0.81 5.08 -1.85 -1.44 114.58 117.57 2dfh h GLU 82 Ca 0.05 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 2dfh h GLU 82 Cb 0.84 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 2dfh h GLU 82 CO 0.07 0.68 0.26 0.35 -1.00 0.00 0.00 179.01 179.37 2dfh h PHE 83 N 0.51 0.96 -0.22 4.33 3.57 -1.09 -1.23 116.94 123.78 2dfh h PHE 83 Ca 0.09 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 2dfh h PHE 83 Cb 0.54 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2dfh h PHE 83 CO 0.02 0.75 -0.01 0.93 -2.23 0.00 0.00 178.31 177.77 2dfh h GLU 84 N 0.89 0.39 -0.78 1.11 5.08 -0.58 -1.85 114.58 118.84 2dfh h GLU 84 Ca 0.21 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2dfh h GLU 84 Cb 0.19 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 2dfh h GLU 84 CO -0.02 0.60 0.41 0.28 -1.00 0.00 0.00 179.01 179.28 2dfh h VAL 85 N 0.15 1.24 -0.60 3.13 2.07 -1.20 0.57 116.25 121.61 2dfh h VAL 85 Ca 0.06 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 2dfh h VAL 85 Cb 0.43 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 2dfh h VAL 85 CO 0.01 0.27 0.28 -0.08 0.02 0.00 0.00 177.57 178.08 2dfh h GLU 86 N 1.09 0.86 0.00 1.57 4.81 -1.12 -2.39 114.58 119.40 2dfh h GLU 86 Ca 0.27 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2dfh h GLU 86 Cb 0.06 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.29 2dfh h GLU 86 CO -0.04 0.70 0.00 -0.91 -0.73 0.00 0.00 179.01 178.03 2dfh h ASN 87 N 0.81 0.00 -0.34 1.04 2.35 -0.89 -1.90 115.58 116.66 2dfh h ASN 87 Ca 0.20 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.83 2dfh h ASN 87 Cb 0.12 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 2dfh h ASN 87 CO -0.03 0.00 -0.26 -0.26 -1.65 0.00 0.00 177.43 175.23 2dfh h PHE 88 N 0.00 0.92 -0.20 1.19 -1.00 -0.70 -1.18 116.94 115.97 2dfh h PHE 88 Ca 0.00 -0.26 -0.01 0.00 2.81 0.00 0.00 57.97 60.51 2dfh h PHE 88 Cb 0.96 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 40.31 2dfh h PHE 88 CO 0.00 1.02 0.08 0.00 -1.61 0.00 0.00 178.31 177.80 2dfh h ALA 89 N 0.76 0.26 -1.01 2.45 0.00 -1.22 -0.79 119.26 119.71 2dfh h ALA 89 Ca 0.06 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2dfh h ALA 89 Cb 0.83 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 2dfh h ALA 89 CO 0.07 -0.16 0.64 -0.22 0.00 0.00 0.00 179.25 179.58 2dfh h LYS 90 N 0.17 1.08 0.24 0.00 3.64 -1.23 0.42 116.57 120.90 2dfh h LYS 90 Ca 0.07 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2dfh h LYS 90 Cb 0.16 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2dfh h LYS 90 CO -0.01 0.72 -0.12 0.00 -2.27 0.00 0.00 179.45 177.77 2dfh h ALA 91 N 1.49 -0.33 -0.66 5.00 0.00 -0.77 -2.40 119.26 121.59 2dfh h ALA 91 Ca 0.46 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.24 2dfh h ALA 91 Cb 0.28 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2dfh h ALA 91 CO -0.21 -0.59 0.43 -0.07 0.00 0.00 0.00 179.25 178.81 2dfh h LEU 92 N -0.51 0.72 -0.69 0.00 3.38 -0.38 -2.30 115.31 115.53 2dfh h LEU 92 Ca -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2dfh h LEU 92 Cb 0.38 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2dfh h LEU 92 CO 0.06 0.52 0.00 0.59 0.09 0.00 0.00 178.44 179.69 2dfh n ASN 93 N -4.65 0.58 -0.01 -0.43 3.02 0.14 -2.35 115.26 111.56 2dfh n ASN 93 Ca 0.06 0.65 0.12 0.00 -0.03 0.00 0.00 54.58 55.39 2dfh n ASN 93 Cb 0.04 -0.77 0.32 0.00 -0.61 0.00 0.00 39.78 38.77 2dfh n ASN 93 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2dfh n SER 94 N -2.15 0.42 -4.76 6.41 7.64 -0.87 -4.92 113.62 115.39 2dfh n SER 94 Ca 0.02 -0.13 -0.38 0.00 1.01 0.00 0.00 58.87 59.38 2dfh n SER 94 Cb 0.20 0.11 0.01 0.00 -1.01 0.00 0.00 64.21 63.52 2dfh n SER 94 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2dfh s LEU 95 N -2.98 4.02 -0.09 -3.43 1.43 -0.99 -4.96 118.68 111.68 2dfh s LEU 95 Ca 0.12 2.53 -0.17 0.00 -1.03 0.00 0.00 54.13 55.57 2dfh s LEU 95 Cb 0.18 -4.17 -0.28 0.00 0.03 0.00 0.00 46.19 41.95 2dfh s LEU 95 CO 0.66 -1.09 0.65 0.11 0.23 0.00 0.00 176.35 176.92 2dfh h LYS 96 N 2.03 0.27 -5.09 1.70 1.57 -1.91 -3.42 116.57 111.71 2dfh h LYS 96 Ca -0.50 -0.45 -0.68 0.00 -1.87 0.00 0.00 60.65 57.15 2dfh h LYS 96 Cb 1.26 0.17 -0.17 0.00 0.08 0.00 0.00 32.23 33.57 2dfh h LYS 96 CO 0.60 1.22 -0.05 0.08 -0.57 0.00 0.00 179.45 180.73 2dfh s VAL 97 N -2.47 4.96 -0.03 0.50 1.01 -1.26 -5.04 120.40 118.07 2dfh s VAL 97 Ca -0.18 -0.18 -0.28 0.00 0.00 0.00 0.00 61.98 61.35 2dfh s VAL 97 Cb 0.03 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2dfh s VAL 97 CO 0.79 -0.53 0.89 -0.54 0.00 0.00 0.00 175.10 175.70 2dfh s LYS 98 N 2.46 4.51 0.48 2.72 -0.14 -1.26 -4.97 119.74 123.54 2dfh s LYS 98 Ca 0.17 1.23 -0.15 0.00 -1.36 0.00 0.00 55.97 55.86 2dfh s LYS 98 Cb -0.16 -3.46 -0.08 0.00 -1.68 0.00 0.00 37.83 32.45 2dfh s LYS 98 CO 0.16 -0.02 0.92 -1.25 -0.76 0.00 0.00 175.35 174.39 2dfh s PRO 99 N 0.97 3.91 -0.04 -1.68 0.04 -1.26 -4.84 135.00 132.11 2dfh s PRO 99 Ca 0.47 0.82 0.06 0.00 0.04 0.00 0.00 61.00 62.39 2dfh s PRO 99 Cb -0.20 -2.22 -0.24 0.00 0.04 0.00 0.00 34.50 31.88 2dfh s PRO 99 CO 0.24 -0.18 0.68 -0.44 0.04 0.00 0.00 177.00 177.34 2dfh h ASP 100 N 1.09 0.14 -3.57 6.66 3.45 -1.10 -3.41 116.42 119.68 2dfh h ASP 100 Ca -0.47 -0.27 -0.42 0.00 0.43 0.00 0.00 57.03 56.30 2dfh h ASP 100 Cb 1.18 -0.05 -0.33 0.00 -0.56 0.00 0.00 39.33 39.58 2dfh h ASP 100 CO 0.62 1.24 -0.78 -0.69 -1.57 0.00 0.00 179.24 178.06 2dfh s VAL 101 N -2.60 0.67 -0.16 -1.35 1.01 -1.20 -0.82 120.40 115.94 2dfh s VAL 101 Ca -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.66 2dfh s VAL 101 Cb 0.08 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.81 2dfh s VAL 101 CO 0.82 0.24 -0.16 -0.63 0.00 0.00 0.00 175.10 175.37 2dfh s ILE 102 N 0.62 2.58 -0.26 2.22 1.01 0.22 -1.10 121.20 126.49 2dfh s ILE 102 Ca -0.09 -0.79 -0.09 0.00 0.00 0.00 0.00 60.65 59.67 2dfh s ILE 102 Cb -0.12 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 2dfh s ILE 102 CO 0.01 0.51 0.14 -0.31 0.00 0.00 0.00 174.94 175.29 2dfh s TYR 103 N 0.96 3.19 -0.01 3.97 1.51 0.13 0.54 117.35 127.64 2dfh s TYR 103 Ca -0.03 -0.04 0.07 0.00 -1.01 0.00 0.00 57.07 56.06 2dfh s TYR 103 Cb -0.15 -2.30 -0.02 0.00 -0.11 0.00 0.00 41.96 39.39 2dfh s TYR 103 CO -0.03 -0.17 -0.23 0.00 -1.11 0.00 0.00 175.55 174.01 2dfh s ALA 104 N 1.51 1.93 -0.31 3.71 0.00 0.18 -1.45 121.76 127.33 2dfh s ALA 104 Ca 0.07 -1.02 -0.25 0.00 0.00 0.00 0.00 51.96 50.75 2dfh s ALA 104 Cb -0.15 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.50 2dfh s ALA 104 CO 0.07 0.47 0.87 0.34 0.00 0.00 0.00 175.76 177.50 2dfh s ASP 105 N -0.66 6.73 -0.44 0.00 3.68 -1.03 -1.47 116.67 123.49 2dfh s ASP 105 Ca 0.09 0.76 -0.20 0.00 2.13 0.00 0.00 52.55 55.32 2dfh s ASP 105 Cb -0.09 -2.44 0.02 0.00 -1.45 0.00 0.00 42.92 38.96 2dfh s ASP 105 CO -0.00 -0.69 0.63 0.00 0.13 0.00 0.00 175.17 175.24 2dfh s ALA 106 N 3.15 3.35 -0.87 3.66 0.00 -0.32 -4.90 121.76 125.83 2dfh s ALA 106 Ca 0.36 -1.23 -0.25 0.00 0.00 0.00 0.00 51.96 50.84 2dfh s ALA 106 Cb -0.14 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.72 2dfh s ALA 106 CO 0.13 -1.77 1.55 0.00 0.00 0.00 0.00 175.76 175.67 2dfh s ALA 107 N 2.77 2.46 -1.24 0.00 0.00 -1.26 -4.21 121.76 120.28 2dfh s ALA 107 Ca 0.22 -1.68 -0.18 0.00 0.00 0.00 0.00 51.96 50.31 2dfh s ALA 107 Cb -0.14 -4.43 0.01 0.00 0.00 0.00 0.00 23.12 18.55 2dfh s ALA 107 CO 0.19 -3.79 0.63 -0.25 0.00 0.00 0.00 175.76 172.54 2dfh n ASP 108 N 10.46 -3.48 -3.68 0.00 9.92 -1.26 -4.99 116.55 123.52 2dfh n ASP 108 Ca 0.25 -1.10 -0.12 0.00 -0.53 0.00 0.00 54.79 53.28 2dfh n ASP 108 Cb 0.50 -2.76 -0.06 0.00 -0.64 0.00 0.00 41.12 38.15 2dfh n ASP 108 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2dfh s VAL 109 N -3.65 0.07 -0.33 2.53 -7.23 -1.26 -5.10 120.40 105.42 2dfh s VAL 109 Ca 0.34 -0.54 -0.39 0.00 -1.81 0.00 0.00 61.98 59.59 2dfh s VAL 109 Cb -0.15 -1.00 -0.14 0.00 0.56 0.00 0.00 36.38 35.65 2dfh s VAL 109 CO 0.90 -0.30 1.97 -0.67 -0.31 0.00 0.00 175.10 176.70 2dfh n ASP 110 N 0.38 2.10 0.27 4.85 -0.08 -1.26 -4.85 116.55 117.95 2dfh n ASP 110 Ca -0.18 0.77 -0.17 0.00 -1.51 0.00 0.00 54.79 53.71 2dfh n ASP 110 Cb 0.60 -1.16 -0.08 0.00 2.34 0.00 0.00 41.12 42.82 2dfh n ASP 110 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2dfh h GLU 111 N 9.44 -0.80 -0.83 -0.67 5.08 -1.95 -1.73 114.58 123.12 2dfh h GLU 111 Ca -0.34 0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2dfh h GLU 111 Cb 1.33 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.72 2dfh h GLU 111 CO 1.00 -0.53 0.55 1.49 -1.00 0.00 0.00 179.01 180.52 2dfh h GLU 112 N -0.83 1.08 -0.68 2.33 4.81 -1.89 -0.43 114.58 118.97 2dfh h GLU 112 Ca -0.04 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 2dfh h GLU 112 Cb 0.72 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 2dfh h GLU 112 CO -0.03 0.72 0.22 -0.09 -0.73 0.00 0.00 179.01 179.10 2dfh h ARG 113 N 1.12 1.05 -0.21 1.92 2.43 -1.94 -0.82 114.38 117.93 2dfh h ARG 113 Ca 0.31 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2dfh h ARG 113 Cb -0.11 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.28 2dfh h ARG 113 CO -0.07 0.91 0.10 0.35 -1.51 0.00 0.00 179.97 179.75 2dfh h PHE 114 N 0.99 0.31 -0.19 2.20 3.57 -0.76 -1.15 116.94 121.91 2dfh h PHE 114 Ca 0.22 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.72 2dfh h PHE 114 Cb 0.29 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2dfh h PHE 114 CO 0.02 0.32 0.07 0.00 -2.23 0.00 0.00 178.31 176.48 2dfh h ALA 115 N 0.96 0.21 -0.75 2.41 0.00 -0.82 -1.60 119.26 119.67 2dfh h ALA 115 Ca 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2dfh h ALA 115 Cb 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2dfh h ALA 115 CO -0.01 -0.36 0.29 0.00 0.00 0.00 0.00 179.25 179.17 2dfh h ARG 116 N 0.16 1.11 -0.56 0.00 3.08 -1.01 -0.72 114.38 116.44 2dfh h ARG 116 Ca 0.08 -0.20 -0.11 0.00 0.07 0.00 0.00 59.98 59.82 2dfh h ARG 116 Cb 0.05 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 2dfh h ARG 116 CO -0.08 0.90 -0.08 0.93 -1.07 0.00 0.00 179.97 180.58 2dfh h GLU 117 N 1.08 1.03 -0.17 0.04 5.08 -0.98 -2.01 114.58 118.66 2dfh h GLU 117 Ca 0.25 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2dfh h GLU 117 Cb 0.21 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2dfh h GLU 117 CO -0.02 1.05 -0.02 1.25 -1.00 0.00 0.00 179.01 180.27 2dfh h LEU 118 N 0.92 0.31 -1.26 1.33 5.85 -1.07 -3.06 115.31 118.35 2dfh h LEU 118 Ca 0.15 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 58.58 2dfh h LEU 118 Cb 0.64 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 2dfh h LEU 118 CO 0.04 0.58 0.53 1.23 -0.34 0.00 0.00 178.44 180.49 2dfh h GLY 119 N 0.04 1.14 2.00 3.75 0.00 -1.04 -0.79 103.07 108.16 2dfh h GLY 119 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2dfh h GLY 119 CO 0.01 0.28 0.00 1.18 0.00 0.00 0.00 176.54 178.01 2dfh n GLU 120 N -4.48 0.05 0.00 4.80 1.02 -0.76 -2.32 120.64 118.94 2dfh n GLU 120 Ca 0.12 0.28 0.10 0.00 -0.02 0.00 0.00 57.16 57.64 2dfh n GLU 120 Cb 0.19 -1.59 -0.02 0.00 -0.02 0.00 0.00 31.44 30.00 2dfh n GLU 120 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2dfh n ARG 121 N -1.68 1.19 -2.69 3.49 1.74 -0.31 -4.97 116.66 113.43 2dfh n ARG 121 Ca 0.03 -0.81 -0.38 0.00 -0.77 0.00 0.00 57.85 55.92 2dfh n ARG 121 Cb 0.19 -1.43 -0.06 0.00 -1.02 0.00 0.00 32.46 30.15 2dfh n ARG 121 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dfh s LEU 122 N -2.46 4.39 -0.21 0.55 1.43 -0.98 -4.95 118.68 116.46 2dfh s LEU 122 Ca 0.16 1.96 0.13 0.00 -1.03 0.00 0.00 54.13 55.35 2dfh s LEU 122 Cb 0.17 -3.91 0.75 0.00 0.03 0.00 0.00 46.19 43.22 2dfh s LEU 122 CO 0.58 -0.11 1.64 -0.46 0.23 0.00 0.00 176.35 178.23 2dfh n ASN 123 N 0.71 5.28 -3.97 2.29 2.04 -1.26 -4.91 115.26 115.43 2dfh n ASN 123 Ca 0.01 -2.81 -0.09 0.00 -0.44 0.00 0.00 54.58 51.25 2dfh n ASN 123 Cb 0.49 -0.66 -0.08 0.00 -2.53 0.00 0.00 39.78 37.00 2dfh n ASN 123 CO 0.00 0.00 0.00 0.72 -0.44 0.00 0.00 177.26 177.54 2dfh s PHE 124 N -2.53 0.42 -0.08 -2.53 -0.12 -1.26 -5.14 117.98 106.74 2dfh s PHE 124 Ca 0.50 -0.80 -0.25 0.00 -0.05 0.00 0.00 56.93 56.32 2dfh s PHE 124 Cb 0.38 -0.12 -0.03 0.00 -0.63 0.00 0.00 43.02 42.61 2dfh s PHE 124 CO 0.16 -0.65 0.80 -2.00 -0.05 0.00 0.00 175.22 173.47 2dfh s GLU 125 N -3.96 4.43 -0.10 1.99 2.12 -1.26 -5.02 118.70 116.90 2dfh s GLU 125 Ca 0.16 1.04 -0.31 0.00 0.36 0.00 0.00 54.97 56.22 2dfh s GLU 125 Cb 0.04 -3.48 0.12 0.00 0.26 0.00 0.00 34.13 31.07 2dfh s GLU 125 CO -0.02 -0.07 1.02 0.00 -0.54 0.00 0.00 175.26 175.65 2dfh s ALA 126 N 1.21 -1.93 -0.21 6.30 0.00 -1.26 -4.65 121.76 121.23 2dfh s ALA 126 Ca 0.41 1.32 -0.08 0.00 0.00 0.00 0.00 51.96 53.62 2dfh s ALA 126 Cb -0.18 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 2dfh s ALA 126 CO 0.19 -0.57 0.08 -2.00 0.00 0.00 0.00 175.76 173.46 2dfh s GLU 127 N -2.46 3.90 -0.16 0.00 2.12 -0.00 -4.96 118.70 117.14 2dfh s GLU 127 Ca 0.05 -0.37 -0.08 0.00 0.36 0.00 0.00 54.97 54.93 2dfh s GLU 127 Cb -0.01 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 2dfh s GLU 127 CO -0.06 0.10 0.11 0.08 -0.54 0.00 0.00 175.26 174.95 2dfh s VAL 128 N 0.87 5.25 -0.11 3.70 1.01 -1.26 0.71 120.40 130.57 2dfh s VAL 128 Ca 0.04 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.15 2dfh s VAL 128 Cb -0.14 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 32.93 2dfh s VAL 128 CO 0.03 0.52 -0.10 -0.69 0.00 0.00 0.00 175.10 174.86 2dfh s VAL 129 N -0.24 1.16 -0.10 2.92 1.01 0.19 -4.85 120.40 120.50 2dfh s VAL 129 Ca 0.10 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.73 2dfh s VAL 129 Cb -0.12 -1.13 -0.00 0.00 0.00 0.00 0.00 36.38 35.13 2dfh s VAL 129 CO 0.01 0.38 -0.24 0.00 0.00 0.00 0.00 175.10 175.25 2dfh s ALA 130 N 1.45 2.17 0.05 5.51 0.00 -1.26 0.47 121.76 130.15 2dfh s ALA 130 Ca 0.01 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.00 2dfh s ALA 130 Cb -0.13 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 2dfh s ALA 130 CO -0.06 0.30 -0.06 0.15 0.00 0.00 0.00 175.76 176.09 2dfh s LYS 131 N 0.28 0.58 0.43 0.00 -0.14 -0.54 -4.64 119.74 115.70 2dfh s LYS 131 Ca -0.17 -0.93 -0.24 0.00 -1.36 0.00 0.00 55.97 53.27 2dfh s LYS 131 Cb -0.17 -0.14 -0.08 0.00 -1.68 0.00 0.00 37.83 35.75 2dfh s LYS 131 CO 0.08 -0.00 1.11 -1.01 -0.76 0.00 0.00 175.35 174.77 2dfh s HIS 132 N -2.27 3.09 -1.60 3.18 3.76 -1.26 -1.17 115.29 119.02 2dfh s HIS 132 Ca -0.03 1.59 -0.08 0.00 -0.15 0.00 0.00 55.06 56.38 2dfh s HIS 132 Cb -0.04 -3.25 0.08 0.00 1.11 0.00 0.00 32.58 30.48 2dfh s HIS 132 CO -0.02 -1.04 0.38 0.36 -0.85 0.00 0.00 174.74 173.57 2dfh n LYS 133 N -0.25 -2.00 0.31 1.40 2.85 -1.26 -4.80 118.16 114.41 2dfh n LYS 133 Ca 0.06 0.24 0.19 0.00 -1.05 0.00 0.00 58.31 57.76 2dfh n LYS 133 Cb 0.49 -4.36 0.99 0.00 -0.65 0.00 0.00 35.03 31.50 2dfh n LYS 133 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2dfh h ALA 134 N 0.84 1.08 0.00 0.58 0.00 -1.86 -2.09 119.26 117.81 2dfh h ALA 134 Ca -0.63 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 2dfh h ALA 134 Cb 1.39 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2dfh h ALA 134 CO 0.74 0.02 -0.05 0.38 0.00 0.00 0.00 179.25 180.34 2dfh h ASP 135 N 0.00 0.00 0.17 0.00 2.03 -1.85 0.78 116.42 117.55 2dfh h ASP 135 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2dfh h ASP 135 Cb 0.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.68 2dfh h ASP 135 CO 0.00 0.05 -1.30 0.47 -1.03 0.00 0.00 179.24 177.43 2dfh n ASP 136 N -3.24 0.56 -0.11 4.15 8.00 -0.79 -3.81 116.55 121.30 2dfh n ASP 136 Ca -0.01 -0.40 -0.22 0.00 0.71 0.00 0.00 54.79 54.88 2dfh n ASP 136 Cb 0.25 1.21 -0.09 0.00 -0.02 0.00 0.00 41.12 42.47 2dfh n ASP 136 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2dfh n ILE 137 N -1.91 1.52 -3.80 0.53 5.41 -0.82 -4.91 119.36 115.39 2dfh n ILE 137 Ca 0.01 -0.12 -0.36 0.00 1.00 0.00 0.00 62.75 63.28 2dfh n ILE 137 Cb 0.44 -2.04 -0.13 0.00 -0.71 0.00 0.00 39.64 37.20 2dfh n ILE 137 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 2dfh s PHE 138 N -2.44 3.05 0.28 1.39 0.40 0.21 -4.99 117.98 115.88 2dfh s PHE 138 Ca -0.31 -0.60 0.03 0.00 -0.60 0.00 0.00 56.93 55.44 2dfh s PHE 138 Cb 0.09 -2.20 0.65 0.00 0.51 0.00 0.00 43.02 42.06 2dfh s PHE 138 CO 0.50 -0.43 1.76 -1.35 0.70 0.00 0.00 175.22 176.40 2dfh h PRO 139 N 8.20 0.63 -0.74 0.24 0.11 -1.85 0.75 132.00 139.34 2dfh h PRO 139 Ca -0.39 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.73 2dfh h PRO 139 Cb 1.17 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 2dfh h PRO 139 CO 0.59 0.42 0.49 -0.24 -0.21 0.00 0.00 178.00 179.04 2dfh h VAL 140 N 0.65 1.07 -0.00 3.15 3.04 -1.94 0.49 116.25 122.70 2dfh h VAL 140 Ca 0.53 -0.29 -0.24 0.00 -1.01 0.00 0.00 66.70 65.69 2dfh h VAL 140 Cb 0.82 0.16 0.01 0.00 -2.01 0.00 0.00 31.29 30.27 2dfh h VAL 140 CO -0.40 0.15 -0.98 0.58 -1.01 0.00 0.00 177.57 175.92 2dfh h VAL 141 N 0.84 1.35 -0.90 1.51 2.07 -1.19 -2.72 116.25 117.21 2dfh h VAL 141 Ca 0.31 -2.35 0.03 0.00 0.82 0.00 0.00 66.70 65.50 2dfh h VAL 141 Cb 0.15 2.39 -0.05 0.00 -1.52 0.00 0.00 31.29 32.26 2dfh h VAL 141 CO -0.10 0.71 0.59 -1.28 0.02 0.00 0.00 177.57 177.52 2dfh h SER 142 N 0.30 0.99 -0.23 0.57 0.87 -0.25 -0.19 113.55 115.62 2dfh h SER 142 Ca -0.10 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 2dfh h SER 142 Cb 1.62 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 63.33 2dfh h SER 142 CO 0.18 0.69 0.10 0.00 -0.53 0.00 0.00 176.83 177.27 2dfh h ALA 143 N 1.46 0.29 -0.59 6.23 0.00 -0.80 -2.18 119.26 123.69 2dfh h ALA 143 Ca 0.35 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.19 2dfh h ALA 143 Cb -0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2dfh h ALA 143 CO -0.09 -0.12 0.34 0.00 0.00 0.00 0.00 179.25 179.37 2dfh h ALA 144 N 0.94 0.76 -0.81 0.00 0.00 -1.07 -1.70 119.26 117.39 2dfh h ALA 144 Ca 0.08 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.08 2dfh h ALA 144 Cb 0.16 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 2dfh h ALA 144 CO -0.01 0.05 0.53 1.03 0.00 0.00 0.00 179.25 180.85 2dfh h SER 145 N 0.66 0.67 -0.45 0.00 0.87 -0.74 -1.43 113.55 113.12 2dfh h SER 145 Ca 0.25 0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.68 2dfh h SER 145 Cb 0.07 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2dfh h SER 145 CO -0.13 0.39 -0.29 0.40 -0.53 0.00 0.00 176.83 176.68 2dfh h ILE 146 N 0.74 1.27 -0.43 2.23 2.04 -0.69 0.29 117.51 122.96 2dfh h ILE 146 Ca 0.38 -1.46 -0.12 0.00 1.00 0.00 0.00 64.86 64.66 2dfh h ILE 146 Cb 0.47 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2dfh h ILE 146 CO -0.15 0.50 -0.20 -0.07 0.00 0.00 0.00 178.15 178.23 2dfh h LEU 147 N 0.83 0.86 -0.13 1.44 3.38 -0.89 -0.90 115.31 119.90 2dfh h LEU 147 Ca 0.09 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2dfh h LEU 147 Cb 0.88 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2dfh h LEU 147 CO 0.08 1.04 -0.03 0.00 0.09 0.00 0.00 178.44 179.62 2dfh h ALA 148 N 1.03 0.18 0.27 1.53 0.00 -1.18 -1.66 119.26 119.42 2dfh h ALA 148 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2dfh h ALA 148 Cb 0.73 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2dfh h ALA 148 CO 0.06 -0.09 -0.27 -0.22 0.00 0.00 0.00 179.25 178.73 2dfh h LYS 149 N -0.06 -0.54 -0.45 0.00 1.63 -0.85 0.87 116.57 117.16 2dfh h LYS 149 Ca 0.03 0.04 0.04 0.00 -0.85 0.00 0.00 60.65 59.91 2dfh h LYS 149 Cb 0.44 0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 32.15 2dfh h LYS 149 CO 0.01 -0.36 0.20 0.28 -3.45 0.00 0.00 179.45 176.13 2dfh h VAL 150 N -0.56 0.93 -0.53 2.00 2.07 -1.20 -0.18 116.25 118.78 2dfh h VAL 150 Ca -0.01 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2dfh h VAL 150 Cb 0.52 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2dfh h VAL 150 CO -0.06 0.07 0.23 0.74 0.02 0.00 0.00 177.57 178.57 2dfh h THR 151 N 0.41 1.19 -0.29 2.57 2.02 -1.08 0.39 112.91 118.11 2dfh h THR 151 Ca 0.20 -0.56 -0.05 0.00 0.77 0.00 0.00 66.41 66.77 2dfh h THR 151 Cb 0.14 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2dfh h THR 151 CO -0.16 0.22 -0.02 -0.09 0.37 0.00 0.00 175.52 175.84 2dfh h ARG 152 N 0.74 0.53 -0.49 6.66 1.12 0.11 -1.97 114.38 121.08 2dfh h ARG 152 Ca 0.18 -0.18 -0.07 0.00 -1.11 0.00 0.00 59.98 58.80 2dfh h ARG 152 Cb 0.12 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.02 2dfh h ARG 152 CO -0.02 0.69 0.02 -0.44 -3.11 0.00 0.00 179.97 177.12 2dfh h ASP 153 N 0.31 0.77 -0.30 -3.80 3.32 -0.48 -1.60 116.42 114.63 2dfh h ASP 153 Ca 0.08 -0.18 -0.09 0.00 0.02 0.00 0.00 57.03 56.86 2dfh h ASP 153 Cb 0.47 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2dfh h ASP 153 CO 0.02 0.82 -0.13 0.03 -1.72 0.00 0.00 179.24 178.26 2dfh h ARG 154 N 0.76 0.73 -0.03 3.56 3.08 -0.83 0.41 114.38 122.05 2dfh h ARG 154 Ca 0.15 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 2dfh h ARG 154 Cb 0.43 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 2dfh h ARG 154 CO 0.02 0.83 0.01 0.00 -1.07 0.00 0.00 179.97 179.75 2dfh h ALA 155 N 1.20 0.04 -1.01 0.04 0.00 -0.99 -1.14 119.26 117.41 2dfh h ALA 155 Ca 0.11 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2dfh h ALA 155 Cb 0.59 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2dfh h ALA 155 CO 0.04 -0.33 0.67 0.28 0.00 0.00 0.00 179.25 179.90 2dfh h VAL 156 N -0.19 1.25 -0.67 0.00 2.07 -1.10 -1.87 116.25 115.74 2dfh h VAL 156 Ca 0.01 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 2dfh h VAL 156 Cb 0.25 -0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 29.77 2dfh h VAL 156 CO 0.00 0.25 0.34 -0.08 0.02 0.00 0.00 177.57 178.10 2dfh h GLU 157 N 1.36 0.95 -0.50 1.57 4.57 -0.69 -0.71 114.58 121.13 2dfh h GLU 157 Ca 0.37 -0.13 -0.06 0.00 -1.18 0.00 0.00 59.36 58.36 2dfh h GLU 157 Cb -0.14 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.25 2dfh h GLU 157 CO -0.09 0.74 0.06 0.87 -1.18 0.00 0.00 179.01 179.42 2dfh h LYS 158 N 0.92 0.79 -0.26 1.92 6.56 -0.65 -2.03 116.57 123.82 2dfh h LYS 158 Ca 0.23 -0.19 -0.12 0.00 -1.06 0.00 0.00 60.65 59.52 2dfh h LYS 158 Cb 0.08 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.63 2dfh h LYS 158 CO -0.03 0.76 -0.34 -0.07 -2.06 0.00 0.00 179.45 177.70 2dfh h LEU 159 N 0.75 0.59 -0.93 2.94 3.38 -0.88 -2.90 115.31 118.27 2dfh h LEU 159 Ca 0.16 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2dfh h LEU 159 Cb 0.37 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2dfh h LEU 159 CO 0.01 0.89 0.38 0.11 0.09 0.00 0.00 178.44 179.91 2dfh h LYS 160 N 0.48 1.15 0.00 1.13 1.57 -0.46 0.35 116.57 120.78 2dfh h LYS 160 Ca 0.05 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 2dfh h LYS 160 Cb 0.82 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2dfh h LYS 160 CO 0.07 0.89 -0.22 0.93 -0.57 0.00 0.00 179.45 180.55 2dfh h GLU 161 N 1.14 0.00 0.04 3.15 5.08 -1.21 0.45 114.58 123.22 2dfh h GLU 161 Ca 0.27 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.36 2dfh h GLU 161 Cb 0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2dfh h GLU 161 CO -0.03 0.22 -1.50 -1.91 -1.00 0.00 0.00 179.01 174.78 2dfh n GLU 162 N -4.24 0.62 -0.00 2.33 2.13 -0.78 -4.57 120.64 116.13 2dfh n GLU 162 Ca -0.02 0.48 0.10 0.00 0.66 0.00 0.00 57.16 58.38 2dfh n GLU 162 Cb 0.28 -1.73 -0.13 0.00 0.27 0.00 0.00 31.44 30.13 2dfh n GLU 162 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2dfh n TYR 163 N -4.15 0.00 0.00 4.31 4.02 0.11 -5.10 117.16 116.36 2dfh n TYR 163 Ca -0.32 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.57 2dfh n TYR 163 Cb 0.79 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.99 2dfh n TYR 163 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2dfh n GLY 164 N 1.44 -1.60 3.57 2.72 0.00 0.16 -4.87 105.19 106.61 2dfh n GLY 164 Ca 0.02 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 2dfh n GLY 164 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dfh s GLU 165 N 0.00 3.08 0.00 1.61 2.56 -1.26 -4.14 118.70 120.55 2dfh s GLU 165 Ca 0.00 0.79 0.20 0.00 0.00 0.00 0.00 54.97 55.96 2dfh s GLU 165 Cb 0.00 -4.23 -0.05 0.00 2.00 0.00 0.00 34.13 31.85 2dfh s GLU 165 CO 0.00 -2.19 0.98 0.44 -0.56 0.00 0.00 175.26 173.93 2dfh n ILE 166 N 7.14 0.00 -3.80 -3.70 -5.35 -1.26 -4.74 119.36 107.66 2dfh n ILE 166 Ca 0.18 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 2dfh n ILE 166 Cb 0.50 1.19 0.00 0.00 -1.74 0.00 0.00 39.64 39.59 2dfh n ILE 166 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2dfh n GLY 167 N 1.36 -1.14 0.16 3.28 0.00 -1.26 -3.39 105.19 104.20 2dfh n GLY 167 Ca 0.08 -1.28 0.05 0.00 0.00 0.00 0.00 46.02 44.87 2dfh n GLY 167 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dfh h SER 168 N 2.58 0.00 0.00 1.61 4.64 -1.95 -3.48 113.55 116.95 2dfh h SER 168 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dfh h SER 168 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2dfh h SER 168 CO 0.00 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 2dfh n GLY 169 N 1.13 0.31 3.80 -0.77 0.00 -1.26 -4.97 105.19 103.44 2dfh n GLY 169 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 2dfh n GLY 169 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dfh s TYR 170 N -2.00 3.75 0.67 1.61 1.51 -1.26 -0.21 117.35 121.41 2dfh s TYR 170 Ca 0.00 1.43 0.41 0.00 -1.01 0.00 0.00 57.07 57.90 2dfh s TYR 170 Cb 0.00 -2.63 2.21 0.00 -0.11 0.00 0.00 41.96 41.43 2dfh s TYR 170 CO 0.00 0.43 2.25 -1.00 -1.11 0.00 0.00 175.55 176.12 2dfh h PRO 171 N 3.87 0.00 -0.01 -1.71 0.13 -1.94 -0.75 132.00 131.59 2dfh h PRO 171 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2dfh h PRO 171 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2dfh h PRO 171 CO 0.65 0.00 -0.21 0.43 -0.23 0.00 0.00 178.00 178.64 2dfh n SER 172 N -3.02 1.24 -4.63 1.44 7.64 -1.26 -4.82 113.62 110.21 2dfh n SER 172 Ca -0.03 -1.09 -0.42 0.00 1.01 0.00 0.00 58.87 58.35 2dfh n SER 172 Cb 0.16 0.12 -0.05 0.00 -1.01 0.00 0.00 64.21 63.43 2dfh n SER 172 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2dfh s ASP 173 N -2.38 6.72 0.23 6.43 3.68 -0.29 -4.95 116.67 126.11 2dfh s ASP 173 Ca 0.27 0.82 -0.07 0.00 2.13 0.00 0.00 52.55 55.70 2dfh s ASP 173 Cb 0.20 -2.41 0.29 0.00 -1.45 0.00 0.00 42.92 39.55 2dfh s ASP 173 CO 0.48 -0.53 1.85 -0.65 0.13 0.00 0.00 175.17 176.44 2dfh h PRO 174 N 7.90 0.90 -0.99 4.34 0.11 -1.87 -1.74 132.00 140.65 2dfh h PRO 174 Ca -0.24 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.82 2dfh h PRO 174 Cb 1.10 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 31.96 2dfh h PRO 174 CO 0.86 0.60 0.65 0.00 -0.21 0.00 0.00 178.00 179.90 2dfh h ARG 175 N 0.93 1.31 -0.21 1.05 3.08 -1.92 0.17 114.38 118.79 2dfh h ARG 175 Ca 0.35 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.27 2dfh h ARG 175 Cb 0.13 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 2dfh h ARG 175 CO -0.16 0.88 -0.04 1.15 -1.07 0.00 0.00 179.97 180.73 2dfh h THR 176 N 1.35 1.28 -0.52 2.04 2.02 -1.42 0.13 112.91 117.78 2dfh h THR 176 Ca 0.36 -0.99 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 2dfh h THR 176 Cb -0.15 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 2dfh h THR 176 CO -0.08 0.30 0.25 0.03 0.37 0.00 0.00 175.52 176.39 2dfh h ARG 177 N 0.13 0.74 -0.22 6.66 3.08 -1.00 -1.24 114.38 122.53 2dfh h ARG 177 Ca 0.05 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2dfh h ARG 177 Cb 0.47 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2dfh h ARG 177 CO 0.02 0.62 0.14 0.00 -1.07 0.00 0.00 179.97 179.68 2dfh h ALA 178 N 1.09 0.28 -0.46 0.04 0.00 -0.56 0.39 119.26 120.04 2dfh h ALA 178 Ca 0.18 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2dfh h ALA 178 Cb 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2dfh h ALA 178 CO -0.02 -0.22 0.22 0.35 0.00 0.00 0.00 179.25 179.58 2dfh h PHE 179 N 0.29 0.40 -0.44 0.00 3.57 -0.69 -0.36 116.94 119.70 2dfh h PHE 179 Ca 0.08 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 2dfh h PHE 179 Cb -0.00 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 2dfh h PHE 179 CO -0.05 0.19 0.10 -0.07 -2.23 0.00 0.00 178.31 176.25 2dfh h LEU 180 N 0.44 0.68 -0.09 0.59 3.38 -0.99 -1.00 115.31 118.32 2dfh h LEU 180 Ca 0.21 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2dfh h LEU 180 Cb 0.13 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2dfh h LEU 180 CO -0.16 0.74 0.05 -0.33 0.09 0.00 0.00 178.44 178.84 2dfh h GLU 181 N 0.59 0.12 -0.61 1.13 5.08 -0.58 -2.05 114.58 118.26 2dfh h GLU 181 Ca 0.14 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 2dfh h GLU 181 Cb 0.33 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2dfh h GLU 181 CO 0.00 0.11 0.14 -0.91 -1.00 0.00 0.00 179.01 177.36 2dfh h ASN 182 N 0.09 0.93 -0.02 1.42 2.35 -0.98 -1.62 115.58 117.75 2dfh h ASN 182 Ca 0.03 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2dfh h ASN 182 Cb 0.03 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 2dfh h ASN 182 CO -0.01 0.93 0.01 0.22 -1.65 0.00 0.00 177.43 176.93 2dfh h TYR 183 N 0.90 0.01 -0.64 1.19 3.20 -1.09 -1.90 116.97 118.64 2dfh h TYR 183 Ca 0.19 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 2dfh h TYR 183 Cb 0.36 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 2dfh h TYR 183 CO 0.03 0.01 0.31 -0.92 -1.64 0.00 0.00 178.16 175.94 2dfh h TYR 184 N 0.02 0.89 -0.78 -3.82 3.20 -1.32 0.89 116.97 116.06 2dfh h TYR 184 Ca 0.01 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 2dfh h TYR 184 Cb 0.00 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 37.95 2dfh h TYR 184 CO -0.09 0.65 0.42 -0.09 -1.64 0.00 0.00 178.16 177.42 2dfh h ARG 185 N 0.90 1.08 0.00 1.82 2.43 -0.85 0.25 114.38 120.02 2dfh h ARG 185 Ca 0.22 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2dfh h ARG 185 Cb 0.09 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 2dfh h ARG 185 CO -0.03 0.80 -1.10 0.39 -1.51 0.00 0.00 179.97 178.52 2dfh n GLU 186 N -4.35 0.56 -0.00 0.20 1.02 -0.75 -4.46 120.64 112.86 2dfh n GLU 186 Ca 0.08 0.07 0.03 0.00 -0.02 0.00 0.00 57.16 57.33 2dfh n GLU 186 Cb 0.10 -1.76 -0.05 0.00 -0.02 0.00 0.00 31.44 29.71 2dfh n GLU 186 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2dfh n HIS 187 N -2.53 0.00 -0.91 -0.32 8.25 0.26 -5.00 115.22 114.98 2dfh n HIS 187 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2dfh n HIS 187 Cb 0.54 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.54 2dfh n HIS 187 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dfh n GLY 188 N 1.81 0.82 3.84 -1.41 0.00 0.87 -4.97 105.19 106.16 2dfh n GLY 188 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 2dfh n GLY 188 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dfh s GLU 189 N -0.09 1.70 0.38 1.61 -1.05 -1.25 -5.05 118.70 114.95 2dfh s GLU 189 Ca 0.00 -0.94 -0.02 0.00 -0.15 0.00 0.00 54.97 53.86 2dfh s GLU 189 Cb 0.00 0.58 -0.04 0.00 -0.44 0.00 0.00 34.13 34.23 2dfh s GLU 189 CO 0.00 -0.78 0.62 -0.06 0.95 0.00 0.00 175.26 175.99 2dfh s PHE 190 N -3.81 3.51 0.68 4.83 0.40 -1.26 -3.78 117.98 118.56 2dfh s PHE 190 Ca 0.11 0.54 -0.13 0.00 -0.60 0.00 0.00 56.93 56.85 2dfh s PHE 190 Cb -0.05 -2.06 0.01 0.00 0.51 0.00 0.00 43.02 41.43 2dfh s PHE 190 CO 0.06 0.01 1.09 -1.25 0.70 0.00 0.00 175.22 175.83 2dfh s PRO 191 N -4.29 2.78 0.00 0.24 0.04 -1.26 -4.88 135.00 127.63 2dfh s PRO 191 Ca 0.43 1.22 -0.03 0.00 0.04 0.00 0.00 61.00 62.67 2dfh s PRO 191 Cb -0.10 -1.96 -0.12 0.00 0.04 0.00 0.00 34.50 32.36 2dfh s PRO 191 CO 0.37 -1.24 2.12 -0.35 0.04 0.00 0.00 177.00 177.94 2dfh n PRO 192 N -2.74 1.08 0.00 0.56 -0.04 -1.26 -3.16 135.00 129.43 2dfh n PRO 192 Ca 0.09 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.11 2dfh n PRO 192 Cb 0.53 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 2dfh n PRO 192 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2dfh n ILE 193 N 2.39 0.13 -4.10 0.52 -5.35 -1.26 -4.99 119.36 106.70 2dfh n ILE 193 Ca 0.19 -0.16 -0.27 0.00 -0.27 0.00 0.00 62.75 62.24 2dfh n ILE 193 Cb 0.50 1.20 -0.06 0.00 -1.74 0.00 0.00 39.64 39.54 2dfh n ILE 193 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 2dfh s VAL 194 N -0.13 4.32 -0.76 7.28 -7.23 -1.19 -1.35 120.40 121.34 2dfh s VAL 194 Ca 0.00 -1.07 -0.25 0.00 -1.81 0.00 0.00 61.98 58.85 2dfh s VAL 194 Cb 0.00 -3.16 0.05 0.00 0.56 0.00 0.00 36.38 33.83 2dfh s VAL 194 CO 0.00 -0.04 1.20 -0.13 -0.31 0.00 0.00 175.10 175.82 2dfh s ARG 195 N -2.86 3.24 0.32 4.82 0.52 0.13 -4.45 118.95 120.67 2dfh s ARG 195 Ca 0.29 -0.61 -0.27 0.00 -0.52 0.00 0.00 55.73 54.62 2dfh s ARG 195 Cb -0.10 -4.39 -0.13 0.00 0.52 0.00 0.00 34.95 30.85 2dfh s ARG 195 CO 0.22 -2.04 1.05 0.36 0.02 0.00 0.00 175.30 174.91 2dfh n LYS 196 N 8.67 1.48 0.00 3.54 -0.00 -1.26 -1.94 118.16 128.64 2dfh n LYS 196 Ca 0.06 0.52 0.00 0.00 -0.00 0.00 0.00 58.31 58.89 2dfh n LYS 196 Cb 0.48 -1.96 0.00 0.00 -0.00 0.00 0.00 35.03 33.56 2dfh n LYS 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dfh n GLY 197 N 1.14 3.01 3.62 2.58 0.00 -1.26 -4.42 105.19 109.86 2dfh n GLY 197 Ca 0.09 -0.69 -0.46 0.00 0.00 0.00 0.00 46.02 44.95 2dfh n GLY 197 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2dfh n TRP 198 N 0.00 1.70 0.28 1.61 5.03 -0.82 -4.85 117.44 120.39 2dfh n TRP 198 Ca 0.00 0.57 0.17 0.00 3.03 0.00 0.00 57.50 61.27 2dfh n TRP 198 Cb 0.00 -2.36 0.81 0.00 -1.03 0.00 0.00 31.31 28.73 2dfh n TRP 198 CO 0.00 0.00 0.00 -0.22 -0.03 0.00 0.00 177.69 177.44 2dfh h LYS 199 N 3.59 0.00 -0.87 -0.99 3.64 -1.96 -2.84 116.57 117.14 2dfh h LYS 199 Ca -0.44 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.93 2dfh h LYS 199 Cb 1.31 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.09 2dfh h LYS 199 CO 0.71 0.05 0.50 1.15 -2.27 0.00 0.00 179.45 179.60 2dfh h THR 200 N 0.00 1.25 -0.60 1.00 2.02 -1.97 -1.05 112.91 113.56 2dfh h THR 200 Ca -0.00 -0.58 -0.08 0.00 0.77 0.00 0.00 66.41 66.52 2dfh h THR 200 Cb 0.37 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 2dfh h THR 200 CO 0.01 0.27 0.06 -0.07 0.37 0.00 0.00 175.52 176.16 2dfh h LEU 201 N 1.21 0.98 -0.12 2.58 3.38 -1.88 -0.99 115.31 120.48 2dfh h LEU 201 Ca 0.31 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2dfh h LEU 201 Cb -0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2dfh h LEU 201 CO -0.05 1.01 0.06 0.50 0.09 0.00 0.00 178.44 180.04 2dfh h LYS 202 N 0.91 0.17 -0.68 1.13 1.63 -1.51 0.17 116.57 118.39 2dfh h LYS 202 Ca 0.18 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.89 2dfh h LYS 202 Cb 0.47 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.04 2dfh h LYS 202 CO 0.02 0.24 0.17 0.87 -3.45 0.00 0.00 179.45 177.31 2dfh h LYS 203 N 0.06 1.08 -0.32 1.90 1.79 -1.09 -0.67 116.57 119.32 2dfh h LYS 203 Ca 0.04 -0.25 -0.10 0.00 -2.18 0.00 0.00 60.65 58.16 2dfh h LYS 203 Cb 0.13 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 2dfh h LYS 203 CO -0.00 0.95 -0.19 0.82 -1.08 0.00 0.00 179.45 179.95 2dfh h ILE 204 N 1.03 1.29 -0.81 1.86 2.04 -1.04 -1.38 117.51 120.50 2dfh h ILE 204 Ca 0.22 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 2dfh h ILE 204 Cb 0.35 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 2dfh h ILE 204 CO 0.00 0.42 0.45 0.00 0.00 0.00 0.00 178.15 179.02 2dfh h ALA 205 N 0.76 1.26 -0.45 1.87 0.00 -0.37 -0.85 119.26 121.48 2dfh h ALA 205 Ca 0.07 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2dfh h ALA 205 Cb 0.73 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2dfh h ALA 205 CO 0.05 0.60 -0.22 0.93 0.00 0.00 0.00 179.25 180.61 2dfh h GLU 206 N 1.13 0.95 -0.60 0.00 5.08 -1.00 -1.83 114.58 118.31 2dfh h GLU 206 Ca 0.29 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 2dfh h GLU 206 Cb 0.02 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2dfh h GLU 206 CO -0.05 1.08 0.31 -0.22 -1.00 0.00 0.00 179.01 179.13 2dfh h LYS 207 N 0.79 0.85 -0.36 2.33 3.64 -0.65 -1.13 116.57 122.04 2dfh h LYS 207 Ca 0.10 -0.11 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 2dfh h LYS 207 Cb 0.80 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2dfh h LYS 207 CO 0.07 0.67 -0.43 0.28 -2.27 0.00 0.00 179.45 177.77 2dfh h VAL 208 N 0.82 1.27 -0.33 2.00 2.07 -1.12 -3.01 116.25 117.94 2dfh h VAL 208 Ca 0.21 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.11 2dfh h VAL 208 Cb 0.08 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2dfh h VAL 208 CO -0.03 0.53 0.13 -0.33 0.02 0.00 0.00 177.57 177.89 2dfh h GLU 209 N 0.74 0.47 0.00 1.57 4.39 -1.11 -1.77 114.58 118.86 2dfh h GLU 209 Ca 0.05 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2dfh h GLU 209 Cb 1.03 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2dfh h GLU 209 CO 0.10 0.39 0.00 0.77 -1.16 0.00 0.00 179.01 179.12 2dfh h SER 210 N 0.47 0.00 0.62 1.42 0.02 -1.07 -2.39 113.55 112.63 2dfh h SER 210 Ca 0.12 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2dfh h SER 210 Cb 0.10 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 2dfh h SER 210 CO -0.01 0.00 -0.11 -0.33 -1.14 0.00 0.00 176.83 175.24 2dfh h GLU 211 N 0.00 0.00 -4.96 3.45 5.08 -1.32 -3.40 114.58 113.43 2dfh h GLU 211 Ca 0.00 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.69 2dfh h GLU 211 Cb 0.34 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.29 2dfh h GLU 211 CO 0.00 0.11 -0.75 0.21 -1.00 0.00 0.00 179.01 177.58 2dfh s LYS 212 N -3.92 3.09 -0.12 2.33 2.20 -0.90 -5.09 119.74 117.32 2dfh s LYS 212 Ca -0.01 -0.81 0.02 0.00 -0.36 0.00 0.00 55.97 54.81 2dfh s LYS 212 Cb 0.11 -2.95 -0.00 0.00 -1.51 0.00 0.00 37.83 33.48 2dfh s LYS 212 CO 0.57 -0.29 -0.20 -0.08 -0.36 0.00 0.00 175.35 174.99 2dfh s THR 213 N 1.39 2.37 0.00 3.43 -1.32 -1.26 -4.97 115.64 115.28 2dfh s THR 213 Ca 0.03 -0.90 0.00 0.00 -1.21 0.00 0.00 61.69 59.62 2dfh s THR 213 Cb -0.15 -1.95 0.00 0.00 -1.51 0.00 0.00 72.50 68.89 2dfh s THR 213 CO -0.05 0.54 0.67 0.00 -2.21 0.00 0.00 174.62 173.57 2dfh n GLN 214 N 3.72 0.38 -3.64 7.08 6.02 -1.26 -5.01 117.38 124.67 2dfh n GLN 214 Ca -0.19 -0.84 -0.05 0.00 -0.01 0.00 0.00 57.00 55.91 2dfh n GLN 214 Cb 0.52 -1.00 -0.07 0.00 1.02 0.00 0.00 30.24 30.72 2dfh n GLN 214 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2dfh s ASP 215 N -0.34 -0.77 0.04 1.08 2.15 -1.26 -5.15 116.67 112.42 2dfh s ASP 215 Ca 0.00 1.23 -0.30 0.00 0.43 0.00 0.00 52.55 53.91 2dfh s ASP 215 Cb 0.00 1.32 -0.05 0.00 -0.30 0.00 0.00 42.92 43.89 2dfh s ASP 215 CO 0.00 -0.20 1.13 -0.04 -0.17 0.00 0.00 175.17 175.89 2dfh s MET 216 N 1.50 4.48 0.05 4.34 -1.94 -1.26 -4.95 119.30 121.51 2dfh s MET 216 Ca -0.09 1.66 -0.06 0.00 -1.71 0.00 0.00 55.69 55.48 2dfh s MET 216 Cb -0.04 -3.38 -0.30 0.00 2.01 0.00 0.00 34.83 33.12 2dfh s MET 216 CO -0.18 -0.18 1.05 -0.84 -0.01 0.00 0.00 175.02 174.86 2dfh h ILE 217 N 4.59 1.38 -2.72 2.53 3.07 -2.01 -3.40 117.51 120.95 2dfh h ILE 217 Ca -0.41 -2.94 -0.81 0.00 1.55 0.00 0.00 64.86 62.25 2dfh h ILE 217 Cb 1.22 2.92 -0.27 0.00 -0.27 0.00 0.00 36.82 40.42 2dfh h ILE 217 CO 0.79 0.86 0.91 0.59 -1.05 0.00 0.00 178.15 180.25 2dfh n ASN 218 N -3.55 6.53 -0.00 2.16 5.03 -1.26 -4.34 115.26 119.83 2dfh n ASN 218 Ca -0.12 -3.44 0.08 0.00 0.87 0.00 0.00 54.58 51.97 2dfh n ASN 218 Cb 1.04 -1.27 -0.10 0.00 -1.02 0.00 0.00 39.78 38.43 2dfh n ASN 218 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2dfh n LYS 219 N 1.24 1.31 -3.64 3.52 5.02 -1.26 -4.89 118.16 119.47 2dfh n LYS 219 Ca 0.30 -0.05 -0.10 0.00 -2.02 0.00 0.00 58.31 56.44 2dfh n LYS 219 Cb 0.32 -1.30 -0.07 0.00 -0.02 0.00 0.00 35.03 33.96 2dfh n LYS 219 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2dfh s SER 220 N -2.99 -0.68 0.00 4.39 0.01 -1.26 -5.25 113.70 107.92 2dfh s SER 220 Ca 0.02 1.24 0.00 0.00 1.31 0.00 0.00 55.95 58.52 2dfh s SER 220 Cb 0.11 1.27 0.00 0.00 0.21 0.00 0.00 66.02 67.61 2dfh s SER 220 CO 0.66 -0.21 0.04 1.07 0.41 0.00 0.00 173.24 175.21