#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e0g n LEU 2 N 0.00 -1.19 -4.56 -3.43 -0.00 -1.26 -5.10 117.00 101.46 2e0g n LEU 2 Ca 0.00 -2.60 -0.36 0.00 -0.00 0.00 0.00 56.01 53.05 2e0g n LEU 2 Cb 0.00 0.11 0.08 0.00 -0.00 0.00 0.00 43.42 43.60 2e0g n LEU 2 CO 0.00 1.57 0.37 -1.20 -0.00 0.00 0.00 177.39 178.13 2e0g n SER 3 N -0.91 -0.09 -0.02 1.45 7.64 -1.26 -4.80 113.62 115.64 2e0g n SER 3 Ca -0.20 0.66 -0.11 0.00 1.01 0.00 0.00 58.87 60.23 2e0g n SER 3 Cb 0.78 -1.34 -0.05 0.00 -1.01 0.00 0.00 64.21 62.59 2e0g n SER 3 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2e0g h LEU 4 N -0.22 0.15 0.09 -3.43 5.85 -2.01 -1.73 115.31 114.02 2e0g h LEU 4 Ca -0.47 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.19 2e0g h LEU 4 Cb 1.34 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 2e0g h LEU 4 CO 0.46 0.17 -0.20 -0.25 -0.34 0.00 0.00 178.44 178.28 2e0g h TRP 5 N 0.12 -0.57 -0.88 1.25 7.01 -1.98 0.34 115.95 121.23 2e0g h TRP 5 Ca 0.04 0.01 0.22 0.00 2.11 0.00 0.00 58.89 61.28 2e0g h TRP 5 Cb 0.05 0.24 -0.13 0.00 -2.10 0.00 0.00 29.16 27.22 2e0g h TRP 5 CO -0.05 -0.24 0.34 -0.56 -2.79 0.00 0.00 178.44 175.14 2e0g h GLN 6 N -0.32 0.32 -0.54 2.65 3.07 -1.94 0.18 115.11 118.54 2e0g h GLN 6 Ca -0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 58.65 58.69 2e0g h GLN 6 Cb 0.30 -0.07 -0.02 0.00 0.08 0.00 0.00 27.48 27.77 2e0g h GLN 6 CO -0.08 0.21 0.23 0.37 0.09 0.00 0.00 178.83 179.66 2e0g h GLN 7 N 0.33 0.79 -0.96 0.06 4.15 -0.75 -1.59 115.11 117.14 2e0g h GLN 7 Ca 0.55 -0.13 0.03 0.00 0.77 0.00 0.00 58.65 59.86 2e0g h GLN 7 Cb 1.06 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 28.57 2e0g h GLN 7 CO -0.56 0.67 0.63 0.00 -1.93 0.00 0.00 178.83 177.64 2e0g h LEU 9 N 1.25 -0.39 -0.91 0.00 3.38 -0.93 -1.51 115.31 116.19 2e0g h LEU 9 Ca 0.37 -0.16 0.19 0.00 0.09 0.00 0.00 57.88 58.37 2e0g h LEU 9 Cb -0.06 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 40.68 2e0g h LEU 9 CO -0.10 -0.00 0.47 0.00 0.09 0.00 0.00 178.44 178.89 2e0g h ALA 10 N -0.37 1.47 -0.47 1.53 0.00 -1.15 0.28 119.26 120.54 2e0g h ALA 10 Ca -0.05 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 2e0g h ALA 10 Cb 0.53 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2e0g h ALA 10 CO 0.08 -0.20 -0.21 -0.09 0.00 0.00 0.00 179.25 178.83 2e0g h ARG 11 N 0.56 0.97 -0.13 0.00 1.12 -1.27 0.30 114.38 115.93 2e0g h ARG 11 Ca 0.54 -0.42 -0.10 0.00 -1.11 0.00 0.00 59.98 58.90 2e0g h ARG 11 Cb 0.92 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.84 2e0g h ARG 11 CO -0.44 1.09 -0.35 1.25 -3.11 0.00 0.00 179.97 178.41 2e0g h LEU 12 N 0.82 0.27 0.00 3.80 6.46 0.16 0.24 115.31 127.06 2e0g h LEU 12 Ca 0.11 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2e0g h LEU 12 Cb 0.78 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 2e0g h LEU 12 CO 0.07 0.61 -0.72 -0.61 -0.62 0.00 0.00 178.44 177.16 2e0g h GLN 13 N 0.23 0.00 0.10 1.25 5.75 -0.39 -3.31 115.11 118.73 2e0g h GLN 13 Ca 0.03 0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 58.18 2e0g h GLN 13 Cb 0.73 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.25 2e0g h GLN 13 CO 0.06 0.00 -1.95 -3.47 -2.65 0.00 0.00 178.83 170.81 2e0g n ASP 14 N -2.38 1.87 0.04 -0.69 2.03 0.10 -4.11 116.55 113.42 2e0g n ASP 14 Ca 0.02 0.24 0.03 0.00 0.52 0.00 0.00 54.79 55.61 2e0g n ASP 14 Cb 0.49 -0.69 0.41 0.00 -0.72 0.00 0.00 41.12 40.60 2e0g n ASP 14 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2e0g h GLU 15 N 0.06 0.44 -1.20 -0.67 4.81 -0.67 -3.46 114.58 113.88 2e0g h GLU 15 Ca -0.40 -0.05 0.28 0.00 -0.13 0.00 0.00 59.36 59.06 2e0g h GLU 15 Cb 2.03 -0.09 -0.21 0.00 0.63 0.00 0.00 28.75 31.11 2e0g h GLU 15 CO 0.08 0.37 0.91 -0.48 -0.73 0.00 0.00 179.01 179.17 2e0g s LEU 16 N -9.25 -0.07 -0.59 1.64 2.34 -1.25 -5.11 118.68 106.41 2e0g s LEU 16 Ca -0.07 0.02 -0.27 0.00 0.06 0.00 0.00 54.13 53.87 2e0g s LEU 16 Cb 0.17 1.18 -0.02 0.00 -0.56 0.00 0.00 46.19 46.95 2e0g s LEU 16 CO 0.73 -0.10 1.85 -2.16 -1.06 0.00 0.00 176.35 175.61 2e0g s PRO 17 N -1.96 2.70 -0.42 1.48 0.04 -1.26 -4.34 135.00 131.23 2e0g s PRO 17 Ca 0.10 0.67 0.04 0.00 0.04 0.00 0.00 61.00 61.86 2e0g s PRO 17 Cb -0.01 -4.37 0.17 0.00 0.04 0.00 0.00 34.50 30.33 2e0g s PRO 17 CO -0.04 -2.65 0.40 0.00 0.04 0.00 0.00 177.00 174.75 2e0g s ALA 18 N 8.84 0.69 -0.38 8.56 0.00 -1.26 -4.96 121.76 133.24 2e0g s ALA 18 Ca 0.68 -2.01 0.19 0.00 0.00 0.00 0.00 51.96 50.82 2e0g s ALA 18 Cb -0.13 -1.80 0.97 0.00 0.00 0.00 0.00 23.12 22.15 2e0g s ALA 18 CO 0.22 -2.03 1.58 2.41 0.00 0.00 0.00 175.76 177.94 2e0g n THR 19 N 2.99 1.12 -0.09 0.00 -1.04 -1.26 -3.30 114.28 112.70 2e0g n THR 19 Ca 0.26 0.59 -0.08 0.00 -2.04 0.00 0.00 64.05 62.78 2e0g n THR 19 Cb 0.49 -1.57 -0.06 0.00 -1.82 0.00 0.00 70.33 67.36 2e0g n THR 19 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2e0g h GLU 20 N 0.00 -0.21 -0.78 -2.82 5.08 -2.00 0.26 114.58 114.10 2e0g h GLU 20 Ca 0.00 0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.58 2e0g h GLU 20 Cb 0.08 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2e0g h GLU 20 CO 0.00 -0.14 0.55 0.27 -1.00 0.00 0.00 179.01 178.69 2e0g h PHE 21 N -0.22 0.15 0.00 4.33 -5.15 -1.91 0.62 116.94 114.76 2e0g h PHE 21 Ca 0.05 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.82 2e0g h PHE 21 Cb 0.35 -0.05 0.00 0.00 0.22 0.00 0.00 35.95 36.47 2e0g h PHE 21 CO -0.69 0.04 0.00 0.45 -2.00 0.00 0.00 178.31 176.11 2e0g n SER 22 N -4.37 0.63 -0.06 -0.68 2.88 0.87 -2.00 113.62 110.89 2e0g n SER 22 Ca 0.16 0.72 -0.06 0.00 -1.33 0.00 0.00 58.87 58.36 2e0g n SER 22 Cb 0.77 -0.83 -0.10 0.00 -0.75 0.00 0.00 64.21 63.31 2e0g n SER 22 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2e0g n MET 23 N -2.27 1.99 -1.24 -1.46 2.81 0.21 -3.66 117.12 113.49 2e0g n MET 23 Ca 0.00 -0.01 -0.28 0.00 -1.81 0.00 0.00 57.70 55.61 2e0g n MET 23 Cb 0.13 -1.31 0.13 0.00 -0.71 0.00 0.00 33.22 31.46 2e0g n MET 23 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 2e0g n TRP 24 N -2.45 3.06 0.00 2.03 7.02 -0.51 -4.31 117.44 122.27 2e0g n TRP 24 Ca -0.20 -2.29 0.00 0.00 -1.02 0.00 0.00 57.50 53.99 2e0g n TRP 24 Cb 0.90 -1.14 0.00 0.00 -2.42 0.00 0.00 31.31 28.65 2e0g n TRP 24 CO 0.00 0.00 0.00 1.51 -2.02 0.00 0.00 177.69 177.18 2e0g n ILE 25 N -1.00 0.00 0.14 -0.99 0.13 -0.85 -4.80 119.36 111.99 2e0g n ILE 25 Ca 0.59 0.00 -0.17 0.00 -1.10 0.00 0.00 62.75 62.08 2e0g n ILE 25 Cb 1.24 0.00 -0.10 0.00 -0.84 0.00 0.00 39.64 39.94 2e0g n ILE 25 CO 0.00 0.00 0.00 0.03 2.80 0.00 0.00 176.55 179.38 2e0g h ARG 26 N 0.00 -0.77 0.00 9.51 2.47 -1.70 -0.47 114.38 123.43 2e0g h ARG 26 Ca 0.00 0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2e0g h ARG 26 Cb 0.00 0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 2e0g h ARG 26 CO 0.00 -0.51 0.00 -0.35 0.56 0.00 0.00 179.97 179.67 2e0g n PRO 27 N -5.48 0.15 -2.89 0.04 -0.04 -1.26 -4.76 135.00 120.76 2e0g n PRO 27 Ca -0.09 0.18 -0.26 0.00 -0.04 0.00 0.00 63.50 63.29 2e0g n PRO 27 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 2e0g n PRO 27 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2e0g s LEU 28 N -2.69 3.71 -0.27 1.53 1.43 -0.18 -4.90 118.68 117.31 2e0g s LEU 28 Ca 0.12 0.67 0.02 0.00 -1.03 0.00 0.00 54.13 53.90 2e0g s LEU 28 Cb 0.10 -3.57 0.06 0.00 0.03 0.00 0.00 46.19 42.81 2e0g s LEU 28 CO 0.23 -0.56 -0.09 -1.58 0.23 0.00 0.00 176.35 174.59 2e0g s GLN 29 N -4.61 2.30 0.36 1.70 -0.44 -0.49 -4.87 119.66 113.61 2e0g s GLN 29 Ca 0.46 -1.32 -0.19 0.00 -2.50 0.00 0.00 55.36 51.81 2e0g s GLN 29 Cb -0.10 -2.94 -0.10 0.00 -1.64 0.00 0.00 33.01 28.23 2e0g s GLN 29 CO 0.41 -0.57 0.85 0.00 0.50 0.00 0.00 175.29 176.49 2e0g s ALA 30 N 1.14 3.19 -0.08 1.58 0.00 -1.26 0.17 121.76 126.49 2e0g s ALA 30 Ca -0.08 0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.14 2e0g s ALA 30 Cb -0.20 -2.99 0.03 0.00 0.00 0.00 0.00 23.12 19.96 2e0g s ALA 30 CO -0.04 0.22 -0.03 -2.00 0.00 0.00 0.00 175.76 173.91 2e0g s GLU 31 N -2.90 0.94 -0.01 0.00 2.12 0.81 -4.93 118.70 114.72 2e0g s GLU 31 Ca 0.56 -0.03 -0.22 0.00 0.36 0.00 0.00 54.97 55.64 2e0g s GLU 31 Cb -0.11 -1.17 -0.05 0.00 0.26 0.00 0.00 34.13 33.06 2e0g s GLU 31 CO 0.16 -0.27 0.65 -0.51 -0.54 0.00 0.00 175.26 174.75 2e0g s LEU 32 N 1.81 4.39 -0.28 2.70 1.43 -1.26 -0.40 118.68 127.07 2e0g s LEU 32 Ca 0.04 1.21 0.11 0.00 -1.03 0.00 0.00 54.13 54.46 2e0g s LEU 32 Cb -0.12 -3.01 0.47 0.00 0.03 0.00 0.00 46.19 43.55 2e0g s LEU 32 CO -0.06 0.03 1.17 -0.24 0.23 0.00 0.00 176.35 177.48 2e0g n SER 33 N 3.05 3.99 0.00 2.29 2.88 -0.04 -4.95 113.62 120.84 2e0g n SER 33 Ca -0.05 -3.27 0.00 0.00 -1.33 0.00 0.00 58.87 54.22 2e0g n SER 33 Cb 0.51 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 2e0g n SER 33 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2e0g n ASP 34 N -0.68 0.00 -0.57 -3.46 2.03 -1.26 -3.76 116.55 108.85 2e0g n ASP 34 Ca 0.34 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.65 2e0g n ASP 34 Cb 0.92 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 41.32 2e0g n ASP 34 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2e0g n ASN 35 N 2.51 0.02 -3.57 1.67 4.13 -1.26 -5.04 115.26 113.73 2e0g n ASN 35 Ca 0.00 -1.66 -0.23 0.00 1.68 0.00 0.00 54.58 54.37 2e0g n ASN 35 Cb 0.00 -0.12 -0.16 0.00 -1.54 0.00 0.00 39.78 37.96 2e0g n ASN 35 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2e0g s THR 36 N 0.00 -0.17 -0.76 3.41 2.01 -1.25 -1.69 115.64 117.20 2e0g s THR 36 Ca 0.02 -0.16 -0.17 0.00 0.31 0.00 0.00 61.69 61.69 2e0g s THR 36 Cb 0.02 -0.62 0.15 0.00 0.01 0.00 0.00 72.50 72.06 2e0g s THR 36 CO -0.01 -0.27 0.83 -0.22 -0.69 0.00 0.00 174.62 174.26 2e0g s LEU 37 N 2.20 5.79 0.63 4.42 0.20 0.83 -0.86 118.68 131.90 2e0g s LEU 37 Ca 0.04 -2.02 -0.08 0.00 0.69 0.00 0.00 54.13 52.76 2e0g s LEU 37 Cb -0.16 -2.29 0.01 0.00 -0.43 0.00 0.00 46.19 43.32 2e0g s LEU 37 CO -0.11 -0.91 0.97 0.00 -0.29 0.00 0.00 176.35 176.01 2e0g s ALA 38 N 1.81 3.15 -0.03 5.97 0.00 0.46 0.23 121.76 133.36 2e0g s ALA 38 Ca 0.19 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 2e0g s ALA 38 Cb -0.15 -2.75 0.02 0.00 0.00 0.00 0.00 23.12 20.24 2e0g s ALA 38 CO -0.03 -0.93 0.06 -0.51 0.00 0.00 0.00 175.76 174.36 2e0g s LEU 39 N -5.12 1.45 -0.27 0.00 2.01 0.21 -0.13 118.68 116.82 2e0g s LEU 39 Ca 0.55 0.12 -0.08 0.00 0.01 0.00 0.00 54.13 54.74 2e0g s LEU 39 Cb -0.11 0.15 -0.02 0.00 0.01 0.00 0.00 46.19 46.22 2e0g s LEU 39 CO 0.47 -0.07 0.09 -0.31 1.01 0.00 0.00 176.35 177.54 2e0g s TYR 40 N 0.47 3.11 0.30 0.29 1.51 0.13 -1.07 117.35 122.09 2e0g s TYR 40 Ca -0.04 -0.55 0.10 0.00 -1.01 0.00 0.00 57.07 55.57 2e0g s TYR 40 Cb -0.05 -2.26 -0.05 0.00 -0.11 0.00 0.00 41.96 39.49 2e0g s TYR 40 CO -0.02 -0.42 -0.06 0.00 -1.11 0.00 0.00 175.55 173.94 2e0g s ALA 41 N 1.59 3.04 -0.29 3.71 0.00 0.23 -1.40 121.76 128.64 2e0g s ALA 41 Ca 0.05 -1.87 0.27 0.00 0.00 0.00 0.00 51.96 50.41 2e0g s ALA 41 Cb -0.16 -0.42 1.12 0.00 0.00 0.00 0.00 23.12 23.66 2e0g s ALA 41 CO 0.04 0.18 1.80 -1.00 0.00 0.00 0.00 175.76 176.78 2e0g h PRO 42 N 1.98 0.00 0.00 0.00 0.13 -1.86 0.48 132.00 132.73 2e0g h PRO 42 Ca -0.42 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.59 2e0g h PRO 42 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2e0g h PRO 42 CO 0.63 0.00 0.08 0.27 -0.23 0.00 0.00 178.00 178.75 2e0g n ASN 43 N -2.50 -1.58 0.05 1.44 6.94 -1.26 -4.56 115.26 113.79 2e0g n ASN 43 Ca 0.02 -2.43 -0.05 0.00 -0.02 0.00 0.00 54.58 52.10 2e0g n ASN 43 Cb 0.25 2.73 -0.10 0.00 -2.36 0.00 0.00 39.78 40.30 2e0g n ASN 43 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 2e0g h ARG 44 N 0.00 0.00 -0.26 -3.83 3.08 -1.92 -3.35 114.38 108.10 2e0g h ARG 44 Ca -0.26 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.86 2e0g h ARG 44 Cb 1.01 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.99 2e0g h ARG 44 CO 0.33 0.72 -0.22 0.74 -1.07 0.00 0.00 179.97 180.47 2e0g h PHE 45 N 0.00 -0.59 -0.72 3.04 -1.00 -2.00 -1.48 116.94 114.21 2e0g h PHE 45 Ca -0.09 0.04 0.06 0.00 2.81 0.00 0.00 57.97 60.78 2e0g h PHE 45 Cb 1.74 0.30 -0.05 0.00 3.61 0.00 0.00 35.95 41.55 2e0g h PHE 45 CO 0.00 -0.30 0.42 0.28 -1.61 0.00 0.00 178.31 177.10 2e0g h VAL 46 N -0.22 1.00 -0.02 -0.55 2.07 -2.00 -1.87 116.25 114.68 2e0g h VAL 46 Ca 0.14 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.42 2e0g h VAL 46 Cb 0.44 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 2e0g h VAL 46 CO -0.39 0.14 -0.52 -0.07 0.02 0.00 0.00 177.57 176.75 2e0g h LEU 47 N 0.78 -1.61 -0.64 2.57 3.38 -1.41 0.32 115.31 118.69 2e0g h LEU 47 Ca 0.31 0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.53 2e0g h LEU 47 Cb 0.16 0.62 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 2e0g h LEU 47 CO -0.17 -0.51 0.34 -0.78 0.09 0.00 0.00 178.44 177.41 2e0g h ASP 48 N -0.65 0.48 0.25 -0.43 3.58 -1.23 -1.42 116.42 117.01 2e0g h ASP 48 Ca 0.02 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2e0g h ASP 48 Cb 0.71 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.69 2e0g h ASP 48 CO -0.37 0.31 -0.24 -0.25 -2.88 0.00 0.00 179.24 175.81 2e0g h TRP 49 N 0.62 -0.63 -0.59 0.28 2.91 -0.49 -1.90 115.95 116.15 2e0g h TRP 49 Ca 0.30 0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.41 2e0g h TRP 49 Cb 0.22 0.24 -0.07 0.00 -0.51 0.00 0.00 29.16 29.05 2e0g h TRP 49 CO -0.09 -0.35 0.22 0.28 -1.03 0.00 0.00 178.44 177.46 2e0g h VAL 50 N -0.52 0.78 0.00 2.65 2.07 -0.05 0.28 116.25 121.46 2e0g h VAL 50 Ca -0.01 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2e0g h VAL 50 Cb 0.48 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2e0g h VAL 50 CO -0.05 0.07 0.00 -1.14 0.02 0.00 0.00 177.57 176.48 2e0g n ARG 51 N -5.00 0.13 -0.03 1.57 0.00 -0.56 -0.29 116.66 112.48 2e0g n ARG 51 Ca 0.08 0.51 -0.10 0.00 -0.00 0.00 0.00 57.85 58.34 2e0g n ARG 51 Cb 0.26 -1.83 -0.09 0.00 0.00 0.00 0.00 32.46 30.80 2e0g n ARG 51 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2e0g h ASP 52 N 0.00 -0.05 0.00 6.15 1.82 0.37 -3.36 116.42 121.34 2e0g h ASP 52 Ca 0.00 -0.58 0.00 0.00 -0.39 0.00 0.00 57.03 56.06 2e0g h ASP 52 Cb 0.15 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.17 2e0g h ASP 52 CO 0.00 0.68 -0.64 0.29 -1.61 0.00 0.00 179.24 177.96 2e0g n LYS 53 N -4.75 0.34 -0.38 0.28 4.01 -1.08 -4.39 118.16 112.19 2e0g n LYS 53 Ca -0.07 0.13 -0.07 0.00 -0.51 0.00 0.00 58.31 57.80 2e0g n LYS 53 Cb 0.31 -1.09 -0.04 0.00 -0.51 0.00 0.00 35.03 33.69 2e0g n LYS 53 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 2e0g n TYR 54 N -3.76 -0.24 -0.11 2.13 9.36 0.60 -1.39 117.16 123.75 2e0g n TYR 54 Ca -0.09 1.17 -0.03 0.00 3.32 0.00 0.00 57.90 62.27 2e0g n TYR 54 Cb 0.33 -0.68 -0.03 0.00 -0.63 0.00 0.00 39.34 38.33 2e0g n TYR 54 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2e0g h LEU 55 N 0.00 -0.58 -0.74 2.98 5.85 -1.57 0.42 115.31 121.67 2e0g h LEU 55 Ca 0.22 0.09 0.13 0.00 0.84 0.00 0.00 57.88 59.16 2e0g h LEU 55 Cb 0.46 0.25 -0.14 0.00 0.37 0.00 0.00 40.66 41.60 2e0g h LEU 55 CO -0.90 -0.07 -0.28 -1.13 -0.34 0.00 0.00 178.44 175.71 2e0g h ASN 56 N -0.01 -1.02 0.53 1.25 -1.24 -1.43 0.22 115.58 113.87 2e0g h ASN 56 Ca 0.04 0.24 -0.02 0.00 0.71 0.00 0.00 56.30 57.28 2e0g h ASN 56 Cb 0.12 0.57 -0.02 0.00 0.73 0.00 0.00 38.32 39.71 2e0g h ASN 56 CO -0.25 -0.28 -0.50 0.78 -1.29 0.00 0.00 177.43 175.89 2e0g h ASN 57 N -0.07 -1.38 -0.25 1.15 2.35 -0.25 -1.91 115.58 115.23 2e0g h ASN 57 Ca 0.31 0.11 0.06 0.00 -0.55 0.00 0.00 56.30 56.23 2e0g h ASN 57 Cb 0.57 0.45 -0.08 0.00 0.05 0.00 0.00 38.32 39.31 2e0g h ASN 57 CO -0.78 -0.68 -0.34 0.40 -1.65 0.00 0.00 177.43 174.38 2e0g h ILE 58 N -1.03 0.24 -0.60 2.81 1.08 0.78 -1.84 117.51 118.95 2e0g h ILE 58 Ca -0.07 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.50 2e0g h ILE 58 Cb 0.88 0.24 -0.11 0.00 -3.07 0.00 0.00 36.82 34.77 2e0g h ILE 58 CO -0.05 0.00 -0.40 0.78 -0.69 0.00 0.00 178.15 177.79 2e0g h ASN 59 N -0.34 -1.37 -0.84 1.72 2.35 -0.46 0.51 115.58 117.14 2e0g h ASN 59 Ca 0.13 0.24 0.13 0.00 -0.55 0.00 0.00 56.30 56.25 2e0g h ASN 59 Cb 0.55 0.64 -0.06 0.00 0.05 0.00 0.00 38.32 39.50 2e0g h ASN 59 CO -0.44 -0.32 0.55 1.23 -1.65 0.00 0.00 177.43 176.80 2e0g h GLY 60 N -0.19 1.09 0.31 2.83 0.00 -0.67 -2.00 103.07 104.44 2e0g h GLY 60 Ca 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 2e0g h GLY 60 CO -0.70 0.11 -0.11 -2.00 0.00 0.00 0.00 176.54 173.84 2e0g h LEU 61 N 0.66 -0.27 -0.94 3.11 6.46 0.29 -1.73 115.31 122.90 2e0g h LEU 61 Ca 0.41 -0.16 0.28 0.00 -0.12 0.00 0.00 57.88 58.29 2e0g h LEU 61 Cb 0.66 0.07 -0.16 0.00 -0.73 0.00 0.00 40.66 40.50 2e0g h LEU 61 CO -0.17 0.24 0.22 -0.07 -0.62 0.00 0.00 178.44 178.03 2e0g h LEU 62 N -1.01 -0.11 -0.04 2.25 4.07 0.03 1.07 115.31 121.58 2e0g h LEU 62 Ca -0.03 0.23 -0.03 0.00 0.08 0.00 0.00 57.88 58.13 2e0g h LEU 62 Cb 0.42 0.34 0.00 0.00 1.08 0.00 0.00 40.66 42.49 2e0g h LEU 62 CO 0.05 -0.26 -0.09 0.74 -1.08 0.00 0.00 178.44 177.80 2e0g h THR 63 N 0.11 1.43 0.00 0.22 2.02 -1.44 -2.46 112.91 112.79 2e0g h THR 63 Ca 0.61 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 66.37 2e0g h THR 63 Cb 1.33 2.28 0.00 0.00 -1.74 0.00 0.00 68.15 70.02 2e0g h THR 63 CO -0.76 0.39 0.00 -1.28 0.37 0.00 0.00 175.52 174.24 2e0g h SER 64 N -0.39 0.00 0.08 4.18 0.87 0.13 0.21 113.55 118.63 2e0g h SER 64 Ca 0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 2e0g h SER 64 Cb 0.67 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.64 2e0g h SER 64 CO 0.02 0.00 -0.71 0.15 -0.53 0.00 0.00 176.83 175.76 2e0g h PHE 65 N 0.00 0.32 0.00 2.24 3.57 0.12 -3.46 116.94 119.73 2e0g h PHE 65 Ca 0.00 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.27 2e0g h PHE 65 Cb 0.24 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.97 2e0g h PHE 65 CO 0.00 1.28 -0.17 0.00 -2.23 0.00 0.00 178.31 177.19 2e0g n GLY 67 N 1.85 0.97 0.00 0.00 0.00 0.04 -4.62 105.19 103.42 2e0g n GLY 67 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2e0g n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e0g n ALA 68 N 0.00 1.61 0.05 4.61 0.00 -1.26 -4.08 120.51 121.45 2e0g n ALA 68 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2e0g n ALA 68 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2e0g n ALA 68 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2e0g n ASP 69 N -1.48 0.22 -3.29 0.00 2.03 -1.26 -5.10 116.55 107.67 2e0g n ASP 69 Ca 0.03 0.18 -0.12 0.00 0.52 0.00 0.00 54.79 55.40 2e0g n ASP 69 Cb 0.15 0.04 0.01 0.00 -0.72 0.00 0.00 41.12 40.60 2e0g n ASP 69 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e0g n ALA 70 N -3.14 -2.10 -1.00 -1.67 0.00 -1.26 -4.96 120.51 106.38 2e0g n ALA 70 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2e0g n ALA 70 Cb 0.11 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2e0g n ALA 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2e0g n PRO 71 N 0.82 0.00 -4.44 0.00 -0.04 -1.26 -4.98 135.00 125.10 2e0g n PRO 71 Ca -0.03 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.20 2e0g n PRO 71 Cb 0.55 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.93 2e0g n PRO 71 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2e0g s GLN 72 N -1.48 1.84 0.33 0.54 -0.21 -0.68 -4.99 119.66 115.01 2e0g s GLN 72 Ca 0.00 -2.10 0.08 0.00 0.02 0.00 0.00 55.36 53.35 2e0g s GLN 72 Cb 0.00 -0.34 -0.06 0.00 1.00 0.00 0.00 33.01 33.61 2e0g s GLN 72 CO 0.00 -0.51 -0.06 -0.51 -2.12 0.00 0.00 175.29 172.09 2e0g s LEU 73 N -3.52 2.63 0.08 2.90 1.43 -1.26 -0.12 118.68 120.82 2e0g s LEU 73 Ca 0.29 -1.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.17 2e0g s LEU 73 Cb 0.03 -0.82 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 2e0g s LEU 73 CO 0.18 -0.31 -0.06 -0.13 0.23 0.00 0.00 176.35 176.26 2e0g s ARG 74 N -3.68 0.74 -0.05 1.70 0.52 0.14 -4.78 118.95 113.54 2e0g s ARG 74 Ca 0.32 -1.22 -0.05 0.00 -0.52 0.00 0.00 55.73 54.26 2e0g s ARG 74 Cb 0.04 -0.14 0.01 0.00 0.52 0.00 0.00 34.95 35.39 2e0g s ARG 74 CO 0.15 -0.03 0.14 -0.06 0.02 0.00 0.00 175.30 175.53 2e0g s PHE 75 N -3.33 -0.13 0.19 -0.53 0.08 -1.26 0.64 117.98 113.64 2e0g s PHE 75 Ca 0.07 0.31 -0.23 0.00 0.12 0.00 0.00 56.93 57.21 2e0g s PHE 75 Cb 0.03 0.04 0.05 0.00 -0.57 0.00 0.00 43.02 42.57 2e0g s PHE 75 CO -0.05 -0.11 0.73 -2.00 -0.10 0.00 0.00 175.22 173.69 2e0g s GLU 76 N -0.14 1.44 -0.49 0.44 2.12 -0.23 -4.89 118.70 116.95 2e0g s GLU 76 Ca -0.02 -0.70 -0.19 0.00 0.36 0.00 0.00 54.97 54.42 2e0g s GLU 76 Cb -0.02 0.55 0.05 0.00 0.26 0.00 0.00 34.13 34.97 2e0g s GLU 76 CO 0.00 -0.65 0.61 0.08 -0.54 0.00 0.00 175.26 174.76 2e0g s VAL 77 N -3.69 4.89 0.56 3.70 1.01 -1.26 -0.60 120.40 125.01 2e0g s VAL 77 Ca 0.07 -0.39 0.27 0.00 0.00 0.00 0.00 61.98 61.93 2e0g s VAL 77 Cb -0.03 -4.26 0.38 0.00 0.00 0.00 0.00 36.38 32.47 2e0g s VAL 77 CO -0.02 -0.73 2.00 1.23 0.00 0.00 0.00 175.10 177.58 2e0g h GLY 78 N 9.63 0.00 -5.35 4.51 0.00 -0.32 -3.42 103.07 108.11 2e0g h GLY 78 Ca -0.27 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.10 2e0g h GLY 78 CO 0.94 0.00 0.26 -0.51 0.00 0.00 0.00 176.54 177.23 2e0g s THR 79 N -4.81 0.00 0.23 4.70 -4.23 -1.25 -5.05 115.64 105.22 2e0g s THR 79 Ca -0.05 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 60.56 2e0g s THR 79 Cb 0.17 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.97 2e0g s THR 79 CO 0.64 0.00 -0.05 -1.59 -0.54 0.00 0.00 174.62 173.08 2e0g s LYS 80 N 0.89 2.18 1.00 3.99 -2.85 -1.26 -4.44 119.74 119.25 2e0g s LYS 80 Ca -0.04 -1.36 -0.12 0.00 -1.00 0.00 0.00 55.97 53.45 2e0g s LYS 80 Cb -0.05 -2.15 0.19 0.00 -2.06 0.00 0.00 37.83 33.76 2e0g s LYS 80 CO -0.10 0.40 1.09 -1.25 0.10 0.00 0.00 175.35 175.58 2e0g s PRO 81 N -3.30 0.39 0.05 1.78 0.04 -1.26 -5.08 135.00 127.62 2e0g s PRO 81 Ca 0.29 0.51 0.04 0.00 0.04 0.00 0.00 61.00 61.88 2e0g s PRO 81 Cb -0.07 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 2e0g s PRO 81 CO 0.18 -2.76 -0.11 0.08 0.04 0.00 0.00 177.00 174.43 2e0g s VAL 82 N -2.96 0.84 -0.00 -0.36 1.01 -1.26 -5.16 120.40 112.50 2e0g s VAL 82 Ca 0.65 -1.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 2e0g s VAL 82 Cb -0.19 -0.82 0.08 0.00 0.00 0.00 0.00 36.38 35.45 2e0g s VAL 82 CO 0.58 -0.21 0.72 0.42 0.00 0.00 0.00 175.10 176.60 2e0g s THR 83 N -1.13 0.00 -0.30 3.92 -4.23 -1.26 -5.17 115.64 107.47 2e0g s THR 83 Ca -0.04 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.29 2e0g s THR 83 Cb -0.09 -1.00 0.20 0.00 1.34 0.00 0.00 72.50 72.95 2e0g s THR 83 CO 0.01 0.00 1.29 -1.58 -0.54 0.00 0.00 174.62 173.80 2e0g s GLN 84 N -2.03 0.03 -0.48 3.99 0.74 -1.26 -5.11 119.66 115.54 2e0g s GLN 84 Ca -0.05 0.06 0.06 0.00 0.05 0.00 0.00 55.36 55.48 2e0g s GLN 84 Cb -0.00 0.03 0.23 0.00 1.10 0.00 0.00 33.01 34.37 2e0g s GLN 84 CO 0.01 -0.01 0.82 2.41 -0.55 0.00 0.00 175.29 177.97 2e0g n THR 85 N 3.93 -0.11 -2.26 -0.34 -1.04 -1.26 -5.15 114.28 108.06 2e0g n THR 85 Ca -0.11 -1.79 -0.36 0.00 -2.04 0.00 0.00 64.05 59.75 2e0g n THR 85 Cb 0.56 0.96 -0.01 0.00 -1.82 0.00 0.00 70.33 70.03 2e0g n THR 85 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2e0g s PRO 86 N 0.47 3.62 -0.30 -2.82 0.04 -1.26 -5.04 135.00 129.71 2e0g s PRO 86 Ca 0.32 1.72 -0.17 0.00 0.04 0.00 0.00 61.00 62.91 2e0g s PRO 86 Cb 0.19 -2.27 0.18 0.00 0.04 0.00 0.00 34.50 32.65 2e0g s PRO 86 CO -0.21 -0.65 1.18 -1.14 0.04 0.00 0.00 177.00 176.22 2e0g s GLN 87 N -2.90 0.10 -0.30 4.56 0.74 -1.26 -5.17 119.66 115.43 2e0g s GLN 87 Ca 0.67 0.20 -0.17 0.00 0.05 0.00 0.00 55.36 56.11 2e0g s GLN 87 Cb -0.27 0.12 0.20 0.00 1.10 0.00 0.00 33.01 34.16 2e0g s GLN 87 CO 0.32 -0.07 1.24 0.00 -0.55 0.00 0.00 175.29 176.23 2e0g s ALA 88 N 2.62 -2.57 -0.30 1.58 0.00 -1.26 -5.16 121.76 116.67 2e0g s ALA 88 Ca -0.04 1.97 -0.17 0.00 0.00 0.00 0.00 51.96 53.72 2e0g s ALA 88 Cb -0.06 -1.93 0.18 0.00 0.00 0.00 0.00 23.12 21.31 2e0g s ALA 88 CO -0.12 -0.29 1.21 0.00 0.00 0.00 0.00 175.76 176.56 2e0g s ALA 89 N 0.95 -3.72 -0.10 0.00 0.00 -1.26 -5.17 121.76 112.46 2e0g s ALA 89 Ca -0.06 1.40 -0.08 0.00 0.00 0.00 0.00 51.96 53.21 2e0g s ALA 89 Cb -0.03 -2.54 0.03 0.00 0.00 0.00 0.00 23.12 20.58 2e0g s ALA 89 CO -0.11 -1.40 0.26 0.54 0.00 0.00 0.00 175.76 175.05 2e0g s VAL 90 N 2.81 -0.01 -0.30 0.00 0.11 -1.26 -5.14 120.40 116.62 2e0g s VAL 90 Ca -0.07 0.02 -0.19 0.00 -2.93 0.00 0.00 61.98 58.82 2e0g s VAL 90 Cb -0.07 -0.37 0.19 0.00 -1.53 0.00 0.00 36.38 34.60 2e0g s VAL 90 CO -0.09 0.01 1.24 0.42 -3.33 0.00 0.00 175.10 173.34 2e0g s THR 91 N 0.31 -0.13 -0.30 5.04 -4.23 -1.26 -5.15 115.64 109.92 2e0g s THR 91 Ca -0.01 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.32 2e0g s THR 91 Cb -0.03 -1.00 0.17 0.00 1.34 0.00 0.00 72.50 72.98 2e0g s THR 91 CO -0.01 0.00 1.22 -0.94 -0.54 0.00 0.00 174.62 174.35 2e0g s SER 92 N 2.18 -0.05 -0.30 3.99 1.04 -1.26 -5.15 113.70 114.15 2e0g s SER 92 Ca -0.00 0.02 -0.19 0.00 0.48 0.00 0.00 55.95 56.26 2e0g s SER 92 Cb -0.02 1.04 0.18 0.00 0.10 0.00 0.00 66.02 67.32 2e0g s SER 92 CO -0.16 -0.01 1.27 0.21 0.98 0.00 0.00 173.24 175.53 2e0g s ASN 93 N 2.99 -0.05 -0.01 7.02 2.47 -1.26 -5.17 114.94 120.93 2e0g s ASN 93 Ca 0.08 0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.41 2e0g s ASN 93 Cb -0.04 1.05 0.01 0.00 -1.45 0.00 0.00 41.25 40.81 2e0g s ASN 93 CO -0.13 -0.01 0.00 0.54 -3.72 0.00 0.00 177.10 173.78 2e0g s VAL 94 N 2.54 0.05 -0.29 -5.21 0.11 -1.26 -5.15 120.40 111.20 2e0g s VAL 94 Ca -0.05 0.03 -0.27 0.00 -2.93 0.00 0.00 61.98 58.76 2e0g s VAL 94 Cb -0.05 -0.09 0.19 0.00 -1.53 0.00 0.00 36.38 34.90 2e0g s VAL 94 CO -0.11 0.05 1.37 0.00 -3.33 0.00 0.00 175.10 173.08 2e0g s ALA 95 N 0.33 -2.15 -0.32 1.54 0.00 -1.26 -5.12 121.76 114.78 2e0g s ALA 95 Ca -0.03 1.79 -0.04 0.00 0.00 0.00 0.00 51.96 53.68 2e0g s ALA 95 Cb -0.05 -1.60 0.26 0.00 0.00 0.00 0.00 23.12 21.74 2e0g s ALA 95 CO -0.01 -0.18 1.23 0.00 0.00 0.00 0.00 175.76 176.80 2e0g n ALA 96 N 1.02 -3.75 -1.67 0.00 0.00 -1.26 -5.16 120.51 109.68 2e0g n ALA 96 Ca -0.05 -0.17 -0.34 0.00 0.00 0.00 0.00 53.44 52.88 2e0g n ALA 96 Cb 0.58 -3.37 0.02 0.00 0.00 0.00 0.00 19.45 16.68 2e0g n ALA 96 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2e0g s PRO 97 N 0.25 3.14 -0.30 0.00 0.04 -1.26 -5.05 135.00 131.82 2e0g s PRO 97 Ca 0.25 1.52 -0.18 0.00 0.04 0.00 0.00 61.00 62.64 2e0g s PRO 97 Cb 0.19 -1.98 0.20 0.00 0.04 0.00 0.00 34.50 32.95 2e0g s PRO 97 CO -0.08 -1.00 1.26 0.00 0.04 0.00 0.00 177.00 177.22 2e0g s ALA 98 N -1.99 -3.00 -0.30 8.56 0.00 -1.26 -5.15 121.76 118.62 2e0g s ALA 98 Ca 0.70 1.88 -0.16 0.00 0.00 0.00 0.00 51.96 54.39 2e0g s ALA 98 Cb -0.23 -2.15 0.17 0.00 0.00 0.00 0.00 23.12 20.92 2e0g s ALA 98 CO 0.33 -0.70 1.17 -0.65 0.00 0.00 0.00 175.76 175.91 2e0g s GLN 99 N 1.65 0.08 -0.27 0.00 -0.21 -1.26 -5.17 119.66 114.47 2e0g s GLN 99 Ca -0.03 0.13 -0.26 0.00 0.02 0.00 0.00 55.36 55.22 2e0g s GLN 99 Cb -0.02 0.07 0.14 0.00 1.00 0.00 0.00 33.01 34.21 2e0g s GLN 99 CO -0.14 -0.09 1.15 0.54 -2.12 0.00 0.00 175.29 174.63 2e0g s VAL 100 N 2.98 0.00 -0.30 1.09 0.11 -1.26 -5.18 120.40 117.85 2e0g s VAL 100 Ca -0.02 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 58.82 2e0g s VAL 100 Cb -0.08 -1.00 0.18 0.00 -1.53 0.00 0.00 36.38 33.96 2e0g s VAL 100 CO -0.10 0.00 1.27 0.00 -3.33 0.00 0.00 175.10 172.94 2e0g s ALA 101 N -0.01 -2.35 -0.30 1.54 0.00 -1.26 -5.18 121.76 114.20 2e0g s ALA 101 Ca 0.04 1.87 -0.22 0.00 0.00 0.00 0.00 51.96 53.66 2e0g s ALA 101 Cb -0.04 -1.80 0.20 0.00 0.00 0.00 0.00 23.12 21.48 2e0g s ALA 101 CO -0.08 -0.22 1.40 -1.14 0.00 0.00 0.00 175.76 175.72 2e0g s GLN 102 N 0.56 0.03 -0.30 0.00 0.74 -1.26 -5.18 119.66 114.26 2e0g s GLN 102 Ca -0.00 0.04 -0.16 0.00 0.05 0.00 0.00 55.36 55.29 2e0g s GLN 102 Cb -0.04 0.01 0.20 0.00 1.10 0.00 0.00 33.01 34.28 2e0g s GLN 102 CO -0.12 -0.00 1.22 0.95 -0.55 0.00 0.00 175.29 176.78 2e0g s THR 103 N 0.38 0.00 -0.31 -0.34 -4.23 -1.26 -5.11 115.64 104.78 2e0g s THR 103 Ca 0.02 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.51 2e0g s THR 103 Cb -0.04 -1.00 0.29 0.00 1.34 0.00 0.00 72.50 73.09 2e0g s THR 103 CO -0.14 0.00 1.30 0.00 -0.54 0.00 0.00 174.62 175.24 2e0g n GLN 104 N 3.17 0.05 -2.08 3.99 10.64 -1.26 -5.12 117.38 126.77 2e0g n GLN 104 Ca -0.17 -0.58 -0.42 0.00 -1.83 0.00 0.00 57.00 53.99 2e0g n GLN 104 Cb 0.56 -0.09 -0.03 0.00 -0.86 0.00 0.00 30.24 29.83 2e0g n GLN 104 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2e0g s PRO 105 N 0.04 3.27 0.15 2.61 0.04 -1.26 -4.96 135.00 134.89 2e0g s PRO 105 Ca 0.25 1.19 -0.06 0.00 0.04 0.00 0.00 61.00 62.42 2e0g s PRO 105 Cb 0.22 -4.19 -0.02 0.00 0.04 0.00 0.00 34.50 30.55 2e0g s PRO 105 CO -0.09 -1.93 0.20 -0.65 0.04 0.00 0.00 177.00 174.57 2e0g s GLN 106 N 5.72 1.06 0.00 4.56 -1.52 -1.26 -5.38 119.66 122.84 2e0g s GLN 106 Ca 0.74 -1.26 0.25 0.00 -1.95 0.00 0.00 55.36 53.14 2e0g s GLN 106 Cb -0.19 0.33 1.47 0.00 -0.22 0.00 0.00 33.01 34.40 2e0g s GLN 106 CO 0.31 -0.36 1.83 -2.13 -0.25 0.00 0.00 175.29 174.70