#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e0g s LEU 2 N 0.00 0.06 0.50 -3.43 1.02 -1.26 -5.10 118.68 110.48 2e0g s LEU 2 Ca 0.00 0.08 0.01 0.00 0.02 0.00 0.00 54.13 54.25 2e0g s LEU 2 Cb 0.00 0.04 0.02 0.00 0.02 0.00 0.00 46.19 46.27 2e0g s LEU 2 CO 0.00 -0.26 0.71 -0.94 0.02 0.00 0.00 176.35 175.88 2e0g s SER 3 N 2.22 5.53 0.08 2.29 1.04 -1.26 -4.90 113.70 118.70 2e0g s SER 3 Ca 0.04 0.07 -0.28 0.00 0.48 0.00 0.00 55.95 56.26 2e0g s SER 3 Cb -0.13 -1.12 -0.13 0.00 0.10 0.00 0.00 66.02 64.74 2e0g s SER 3 CO -0.05 -0.93 1.45 -0.07 0.98 0.00 0.00 173.24 174.61 2e0g h LEU 4 N 0.25 -1.21 -0.08 2.42 4.07 -2.01 0.86 115.31 119.61 2e0g h LEU 4 Ca -0.44 0.11 0.02 0.00 0.08 0.00 0.00 57.88 57.66 2e0g h LEU 4 Cb 1.28 0.43 -0.04 0.00 1.08 0.00 0.00 40.66 43.40 2e0g h LEU 4 CO 0.54 -0.49 -0.38 -0.25 -1.08 0.00 0.00 178.44 176.78 2e0g h TRP 5 N -0.70 -1.12 -0.73 1.13 7.01 -1.98 0.29 115.95 119.85 2e0g h TRP 5 Ca -0.03 0.04 0.14 0.00 2.11 0.00 0.00 58.89 61.16 2e0g h TRP 5 Cb 0.66 0.50 -0.14 0.00 -2.10 0.00 0.00 29.16 28.08 2e0g h TRP 5 CO -0.33 -0.38 -0.20 1.96 -2.79 0.00 0.00 178.44 176.69 2e0g h GLN 6 N -0.41 -0.02 -0.53 2.65 1.08 -1.94 0.15 115.11 116.09 2e0g h GLN 6 Ca 0.02 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2e0g h GLN 6 Cb 0.47 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.88 2e0g h GLN 6 CO -0.29 -0.01 0.33 0.37 -0.95 0.00 0.00 178.83 178.28 2e0g h GLN 7 N -0.02 0.65 -0.81 1.46 4.15 -0.03 -1.45 115.11 119.06 2e0g h GLN 7 Ca 0.34 -0.04 0.11 0.00 0.77 0.00 0.00 58.65 59.83 2e0g h GLN 7 Cb 0.54 -0.15 -0.08 0.00 0.21 0.00 0.00 27.48 28.01 2e0g h GLN 7 CO -0.75 0.43 0.45 0.00 -1.93 0.00 0.00 178.83 177.02 2e0g h LEU 9 N 0.72 -0.46 -1.05 0.00 3.38 -0.72 -1.75 115.31 115.44 2e0g h LEU 9 Ca 0.41 -0.12 0.17 0.00 0.09 0.00 0.00 57.88 58.43 2e0g h LEU 9 Cb 0.43 0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.20 2e0g h LEU 9 CO -0.28 -0.08 0.62 0.00 0.09 0.00 0.00 178.44 178.79 2e0g h ALA 10 N -0.51 1.67 -0.56 1.53 0.00 -0.98 0.28 119.26 120.70 2e0g h ALA 10 Ca -0.06 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2e0g h ALA 10 Cb 0.55 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2e0g h ALA 10 CO 0.09 -0.01 -0.08 -0.09 0.00 0.00 0.00 179.25 179.16 2e0g h ARG 11 N 0.80 1.04 -0.06 0.00 1.12 -0.78 0.34 114.38 116.84 2e0g h ARG 11 Ca 0.55 -0.38 -0.14 0.00 -1.11 0.00 0.00 59.98 58.90 2e0g h ARG 11 Cb 0.81 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.69 2e0g h ARG 11 CO -0.34 1.07 -0.61 1.25 -3.11 0.00 0.00 179.97 178.24 2e0g h LEU 12 N 0.93 0.23 0.00 3.80 6.46 -0.09 -0.17 115.31 126.46 2e0g h LEU 12 Ca 0.15 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2e0g h LEU 12 Cb 0.65 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 2e0g h LEU 12 CO 0.05 0.78 -0.50 -0.61 -0.62 0.00 0.00 178.44 177.54 2e0g h GLN 13 N 0.15 0.00 0.12 1.25 5.75 -0.35 -3.28 115.11 118.75 2e0g h GLN 13 Ca -0.01 0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 58.14 2e0g h GLN 13 Cb 1.10 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.64 2e0g h GLN 13 CO 0.09 0.00 -1.89 -0.44 -2.65 0.00 0.00 178.83 173.94 2e0g h ASP 14 N 0.00 0.39 -0.54 -0.69 3.32 -0.16 -3.37 116.42 115.38 2e0g h ASP 14 Ca 0.00 -0.91 0.00 0.00 0.02 0.00 0.00 57.03 56.14 2e0g h ASP 14 Cb 0.85 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 2e0g h ASP 14 CO 0.00 1.82 0.34 -0.33 -1.72 0.00 0.00 179.24 179.35 2e0g h GLU 15 N -0.04 0.73 -1.32 3.56 4.39 -1.15 -3.46 114.58 117.28 2e0g h GLU 15 Ca -0.41 -0.05 0.23 0.00 0.34 0.00 0.00 59.36 59.47 2e0g h GLU 15 Cb 1.96 -0.16 -0.23 0.00 -0.10 0.00 0.00 28.75 30.23 2e0g h GLU 15 CO 0.07 0.50 0.83 -0.51 -1.16 0.00 0.00 179.01 178.73 2e0g s LEU 16 N -9.61 -0.13 -0.60 1.33 1.43 -1.23 -5.11 118.68 104.76 2e0g s LEU 16 Ca -0.09 0.08 -0.27 0.00 -1.03 0.00 0.00 54.13 52.82 2e0g s LEU 16 Cb 0.17 1.34 -0.02 0.00 0.03 0.00 0.00 46.19 47.71 2e0g s LEU 16 CO 0.75 -0.17 1.85 -2.16 0.23 0.00 0.00 176.35 176.86 2e0g s PRO 17 N -1.72 2.67 -0.38 1.29 0.04 -1.26 -4.29 135.00 131.36 2e0g s PRO 17 Ca 0.08 0.65 0.02 0.00 0.04 0.00 0.00 61.00 61.78 2e0g s PRO 17 Cb -0.01 -4.37 0.15 0.00 0.04 0.00 0.00 34.50 30.31 2e0g s PRO 17 CO -0.05 -2.68 0.27 0.00 0.04 0.00 0.00 177.00 174.59 2e0g s ALA 18 N 8.92 1.13 -0.44 8.56 0.00 -1.26 -4.96 121.76 133.71 2e0g s ALA 18 Ca 0.68 -2.12 0.18 0.00 0.00 0.00 0.00 51.96 50.69 2e0g s ALA 18 Cb -0.13 -1.60 0.90 0.00 0.00 0.00 0.00 23.12 22.29 2e0g s ALA 18 CO 0.21 -2.05 1.54 2.41 0.00 0.00 0.00 175.76 177.88 2e0g n THR 19 N 3.50 1.16 -0.06 0.00 -1.04 -1.26 -3.37 114.28 113.21 2e0g n THR 19 Ca 0.20 0.56 -0.06 0.00 -2.04 0.00 0.00 64.05 62.72 2e0g n THR 19 Cb 0.42 -1.54 -0.04 0.00 -1.82 0.00 0.00 70.33 67.35 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 -0.15 -0.89 -2.82 5.08 -2.00 0.16 114.58 113.96 2e0g h GLU 20 Ca 0.00 0.01 0.23 0.00 -1.00 0.00 0.00 59.36 58.60 2e0g h GLU 20 Cb 0.09 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 2e0g h GLU 20 CO 0.00 -0.10 0.61 0.27 -1.00 0.00 0.00 179.01 178.79 2e0g h PHE 21 N -0.16 0.29 0.00 4.33 -5.15 -1.92 0.62 116.94 114.94 2e0g h PHE 21 Ca 0.03 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.81 2e0g h PHE 21 Cb 0.24 -0.09 0.00 0.00 0.22 0.00 0.00 35.95 36.32 2e0g h PHE 21 CO -0.66 0.07 0.00 1.03 -2.00 0.00 0.00 178.31 176.74 2e0g h SER 22 N 0.21 0.00 0.00 -0.68 0.87 -0.85 -0.07 113.55 113.02 2e0g h SER 22 Ca 0.45 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.72 2e0g h SER 22 Cb 1.41 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.32 2e0g h SER 22 CO -0.10 0.00 -2.07 0.23 -0.53 0.00 0.00 176.83 174.36 2e0g n MET 23 N -2.67 1.39 -1.00 2.24 2.81 0.21 -3.51 117.12 116.58 2e0g n MET 23 Ca -0.02 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.79 2e0g n MET 23 Cb 0.09 -1.40 0.27 0.00 -0.71 0.00 0.00 33.22 31.48 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 -2.61 2.44 0.00 2.03 7.02 -0.67 -4.29 117.44 121.35 2e0g n TRP 24 Ca -0.26 -1.24 0.00 0.00 -1.02 0.00 0.00 57.50 54.98 2e0g n TRP 24 Cb 0.99 -0.71 0.00 0.00 -2.42 0.00 0.00 31.31 29.18 2e0g n TRP 24 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 2e0g n ILE 25 N -0.26 0.00 0.03 -0.99 2.08 -0.10 -4.78 119.36 115.34 2e0g n ILE 25 Ca 0.42 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.60 2e0g n ILE 25 Cb 1.38 0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 40.19 2e0g n ILE 25 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2e0g h ARG 26 N 0.00 -0.49 0.00 0.38 3.08 -1.69 -1.01 114.38 114.65 2e0g h ARG 26 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2e0g h ARG 26 Cb 0.00 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2e0g h ARG 26 CO 0.00 -0.33 0.00 -1.00 -1.07 0.00 0.00 179.97 177.57 2e0g h PRO 27 N -0.51 0.00 -7.34 0.04 0.13 -1.87 -3.45 132.00 119.01 2e0g h PRO 27 Ca 0.01 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.64 2e0g h PRO 27 Cb 0.56 0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.81 2e0g h PRO 27 CO -0.30 0.00 0.31 -0.51 -0.23 0.00 0.00 178.00 177.27 2e0g s LEU 28 N -4.95 2.78 -0.24 1.56 2.01 -0.38 -4.92 118.68 114.53 2e0g s LEU 28 Ca 0.03 1.61 0.01 0.00 0.01 0.00 0.00 54.13 55.79 2e0g s LEU 28 Cb 0.09 -4.26 0.06 0.00 0.01 0.00 0.00 46.19 42.10 2e0g s LEU 28 CO 0.43 -2.07 -0.04 -1.58 1.01 0.00 0.00 176.35 174.10 2e0g s GLN 29 N -4.98 1.56 0.36 1.70 -0.44 -0.31 -4.90 119.66 112.65 2e0g s GLN 29 Ca 0.61 -1.02 -0.06 0.00 -2.50 0.00 0.00 55.36 52.39 2e0g s GLN 29 Cb -0.16 -2.58 -0.05 0.00 -1.64 0.00 0.00 33.01 28.57 2e0g s GLN 29 CO 0.56 -0.63 0.66 0.00 0.50 0.00 0.00 175.29 176.38 2e0g s ALA 30 N 1.39 3.51 -0.12 1.58 0.00 -1.26 0.38 121.76 127.25 2e0g s ALA 30 Ca -0.05 -0.48 -0.05 0.00 0.00 0.00 0.00 51.96 51.38 2e0g s ALA 30 Cb -0.19 -2.45 0.06 0.00 0.00 0.00 0.00 23.12 20.54 2e0g s ALA 30 CO -0.07 0.04 0.25 -2.00 0.00 0.00 0.00 175.76 173.98 2e0g s GLU 31 N -3.92 0.16 0.01 0.00 2.12 0.22 -4.96 118.70 112.34 2e0g s GLU 31 Ca 0.46 0.66 -0.26 0.00 0.36 0.00 0.00 54.97 56.20 2e0g s GLU 31 Cb -0.10 -0.08 -0.05 0.00 0.26 0.00 0.00 34.13 34.16 2e0g s GLU 31 CO 0.34 -0.25 0.80 -0.51 -0.54 0.00 0.00 175.26 175.10 2e0g s LEU 32 N 2.02 4.40 -0.24 2.70 1.02 -1.26 -1.52 118.68 125.80 2e0g s LEU 32 Ca -0.02 1.44 0.13 0.00 0.02 0.00 0.00 54.13 55.69 2e0g s LEU 32 Cb -0.11 -3.27 0.56 0.00 0.02 0.00 0.00 46.19 43.38 2e0g s LEU 32 CO -0.08 -0.07 1.50 -1.20 0.02 0.00 0.00 176.35 176.52 2e0g n SER 33 N 3.24 3.59 0.00 2.29 7.64 0.54 -4.90 113.62 126.00 2e0g n SER 33 Ca -0.00 -3.30 0.00 0.00 1.01 0.00 0.00 58.87 56.58 2e0g n SER 33 Cb 0.51 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2e0g n SER 33 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2e0g n ASP 34 N -0.67 0.00 -0.12 6.43 2.03 -1.26 -4.34 116.55 118.62 2e0g n ASP 34 Ca 0.29 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.60 2e0g n ASP 34 Cb 1.03 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 41.13 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 0.00 0.00 -3.61 1.67 4.13 -1.26 -4.97 115.26 111.21 2e0g n ASN 35 Ca 0.00 -0.27 -0.02 0.00 1.68 0.00 0.00 54.58 55.97 2e0g n ASN 35 Cb 0.00 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.19 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 -0.63 -0.54 3.41 2.01 -1.26 -1.80 115.64 116.83 2e0g s THR 36 Ca 0.00 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 61.85 2e0g s THR 36 Cb 0.00 -1.00 0.13 0.00 0.01 0.00 0.00 72.50 71.64 2e0g s THR 36 CO 0.00 0.00 0.49 -0.22 -0.69 0.00 0.00 174.62 174.20 2e0g s LEU 37 N 2.44 6.14 -0.05 4.42 2.96 0.15 -0.34 118.68 134.39 2e0g s LEU 37 Ca -0.07 -1.86 -0.12 0.00 -0.22 0.00 0.00 54.13 51.87 2e0g s LEU 37 Cb -0.09 -2.18 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 2e0g s LEU 37 CO -0.19 -0.82 0.30 0.00 -1.32 0.00 0.00 176.35 174.32 2e0g s ALA 38 N 1.49 3.76 0.10 5.97 0.00 -0.58 -0.08 121.76 132.42 2e0g s ALA 38 Ca 0.04 -0.39 0.07 0.00 0.00 0.00 0.00 51.96 51.68 2e0g s ALA 38 Cb -0.28 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 2e0g s ALA 38 CO 0.02 0.52 -0.09 -0.51 0.00 0.00 0.00 175.76 175.70 2e0g s LEU 39 N -1.00 3.11 -0.17 0.00 1.02 0.86 0.73 118.68 123.23 2e0g s LEU 39 Ca 0.20 -0.35 0.01 0.00 0.02 0.00 0.00 54.13 54.01 2e0g s LEU 39 Cb -0.15 -1.89 0.02 0.00 0.02 0.00 0.00 46.19 44.19 2e0g s LEU 39 CO 0.09 0.18 -0.20 -0.31 0.02 0.00 0.00 176.35 176.14 2e0g s TYR 40 N -1.23 2.68 0.29 0.29 1.51 0.16 0.03 117.35 121.08 2e0g s TYR 40 Ca 0.22 -1.54 0.09 0.00 -1.01 0.00 0.00 57.07 54.83 2e0g s TYR 40 Cb -0.11 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 2e0g s TYR 40 CO 0.14 -0.75 0.09 0.00 -1.11 0.00 0.00 175.55 173.92 2e0g s ALA 41 N 1.23 3.37 -0.90 3.71 0.00 -0.06 -1.16 121.76 127.94 2e0g s ALA 41 Ca 0.03 -1.68 0.16 0.00 0.00 0.00 0.00 51.96 50.46 2e0g s ALA 41 Cb -0.13 -0.85 0.68 0.00 0.00 0.00 0.00 23.12 22.82 2e0g s ALA 41 CO -0.11 0.17 1.50 -0.35 0.00 0.00 0.00 175.76 176.98 2e0g n PRO 42 N -1.05 0.04 -3.53 0.00 -0.04 -1.26 0.43 135.00 129.59 2e0g n PRO 42 Ca -0.05 0.29 -0.08 0.00 -0.04 0.00 0.00 63.50 63.61 2e0g n PRO 42 Cb 0.60 -1.57 0.03 0.00 -0.04 0.00 0.00 33.50 32.51 2e0g n PRO 42 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2e0g n ASN 43 N -1.63 -2.07 0.12 3.54 6.94 -1.26 -4.44 115.26 116.46 2e0g n ASN 43 Ca 0.03 -2.46 0.04 0.00 -0.02 0.00 0.00 54.58 52.17 2e0g n ASN 43 Cb 0.18 3.46 0.01 0.00 -2.36 0.00 0.00 39.78 41.06 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 0.07 -3.83 3.08 -1.91 -3.35 114.38 108.44 2e0g h ARG 44 Ca -0.30 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.76 2e0g h ARG 44 Cb 1.12 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 2e0g h ARG 44 CO 0.39 0.36 -0.14 0.74 -1.07 0.00 0.00 179.97 180.25 2e0g h PHE 45 N 0.00 -0.35 -0.31 3.04 0.04 -1.99 -2.60 116.94 114.77 2e0g h PHE 45 Ca -0.04 0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.80 2e0g h PHE 45 Cb 1.36 0.15 -0.06 0.00 2.20 0.00 0.00 35.95 39.60 2e0g h PHE 45 CO 0.00 -0.21 -0.08 0.28 -0.60 0.00 0.00 178.31 177.70 2e0g h VAL 46 N -0.26 0.68 -0.32 -0.55 2.07 -1.99 -2.02 116.25 113.86 2e0g h VAL 46 Ca 0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.60 2e0g h VAL 46 Cb 0.29 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 30.66 2e0g h VAL 46 CO -0.08 0.00 -0.46 -0.07 0.02 0.00 0.00 177.57 176.97 2e0g h LEU 47 N -0.01 -1.52 -0.52 2.57 3.38 -1.63 0.43 115.31 118.00 2e0g h LEU 47 Ca 0.15 0.21 0.10 0.00 0.09 0.00 0.00 57.88 58.43 2e0g h LEU 47 Cb 0.23 0.64 -0.08 0.00 0.09 0.00 0.00 40.66 41.54 2e0g h LEU 47 CO -0.32 -0.40 0.04 -0.78 0.09 0.00 0.00 178.44 177.06 2e0g h ASP 48 N -0.40 -0.15 0.47 -0.43 1.82 -1.12 0.18 116.42 116.79 2e0g h ASP 48 Ca 0.10 0.12 -0.02 0.00 -0.39 0.00 0.00 57.03 56.83 2e0g h ASP 48 Cb 0.61 0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.81 2e0g h ASP 48 CO -0.53 -0.05 -0.23 -0.25 -1.61 0.00 0.00 179.24 176.58 2e0g h TRP 49 N 0.16 -0.58 -0.38 0.28 2.91 -0.48 -1.82 115.95 116.03 2e0g h TRP 49 Ca 0.27 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.34 2e0g h TRP 49 Cb 0.40 0.19 -0.06 0.00 -0.51 0.00 0.00 29.16 29.18 2e0g h TRP 49 CO -0.29 -0.36 0.01 0.28 -1.03 0.00 0.00 178.44 177.05 2e0g h VAL 50 N -0.63 0.73 0.00 2.65 2.07 0.30 0.20 116.25 121.56 2e0g h VAL 50 Ca -0.06 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2e0g h VAL 50 Cb 0.48 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2e0g h VAL 50 CO 0.11 0.02 0.00 -1.14 0.02 0.00 0.00 177.57 176.58 2e0g n ARG 51 N -5.17 0.15 0.03 1.57 0.63 0.57 0.03 116.66 114.46 2e0g n ARG 51 Ca 0.02 0.56 -0.10 0.00 -0.92 0.00 0.00 57.85 57.41 2e0g n ARG 51 Cb 0.20 -1.90 -0.07 0.00 0.45 0.00 0.00 32.46 31.13 2e0g n ARG 51 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2e0g h ASP 52 N 0.00 -0.14 0.00 6.15 1.82 0.29 -3.35 116.42 121.19 2e0g h ASP 52 Ca 0.00 -0.38 -0.01 0.00 -0.39 0.00 0.00 57.03 56.25 2e0g h ASP 52 Cb 0.11 0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.16 2e0g h ASP 52 CO 0.00 0.46 -0.93 2.29 -1.61 0.00 0.00 179.24 179.46 2e0g n LYS 53 N -4.87 0.47 -0.36 0.28 0.00 -1.06 -4.41 118.16 108.22 2e0g n LYS 53 Ca -0.07 0.19 -0.00 0.00 -0.00 0.00 0.00 58.31 58.42 2e0g n LYS 53 Cb 0.26 -1.33 0.05 0.00 -0.00 0.00 0.00 35.03 34.01 2e0g n LYS 53 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 2e0g h TYR 54 N -0.89 -0.99 -0.15 5.58 3.20 -0.64 -1.36 116.97 121.72 2e0g h TYR 54 Ca -0.01 0.10 0.02 0.00 3.14 0.00 0.00 58.73 61.97 2e0g h TYR 54 Cb 0.91 0.57 -0.03 0.00 1.54 0.00 0.00 36.73 39.72 2e0g h TYR 54 CO -0.38 -0.40 -0.17 1.25 -1.64 0.00 0.00 178.16 176.82 2e0g h LEU 55 N -0.02 -0.57 -0.97 2.82 5.85 -1.54 0.35 115.31 121.23 2e0g h LEU 55 Ca 0.35 0.08 0.24 0.00 0.84 0.00 0.00 57.88 59.39 2e0g h LEU 55 Cb 0.61 0.24 -0.18 0.00 0.37 0.00 0.00 40.66 41.70 2e0g h LEU 55 CO -0.96 -0.11 -0.06 0.78 -0.34 0.00 0.00 178.44 177.75 2e0g h ASN 56 N -0.10 -0.62 0.88 1.25 2.35 -1.47 0.40 115.58 118.28 2e0g h ASN 56 Ca 0.03 0.28 -0.04 0.00 -0.55 0.00 0.00 56.30 56.01 2e0g h ASN 56 Cb 0.17 0.52 0.01 0.00 0.05 0.00 0.00 38.32 39.06 2e0g h ASN 56 CO -0.19 -0.34 -0.42 0.78 -1.65 0.00 0.00 177.43 175.61 2e0g h ASN 57 N 0.01 -1.00 0.02 5.81 2.35 -0.61 -1.79 115.58 120.37 2e0g h ASN 57 Ca 0.55 0.03 0.02 0.00 -0.55 0.00 0.00 56.30 56.35 2e0g h ASN 57 Cb 1.03 0.26 -0.05 0.00 0.05 0.00 0.00 38.32 39.61 2e0g h ASN 57 CO -0.94 -0.65 -0.48 0.40 -1.65 0.00 0.00 177.43 174.11 2e0g h ILE 58 N -1.32 0.07 -0.45 2.81 1.08 0.13 -1.14 117.51 118.70 2e0g h ILE 58 Ca -0.12 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.42 2e0g h ILE 58 Cb 0.91 0.07 -0.09 0.00 -3.07 0.00 0.00 36.82 34.64 2e0g h ILE 58 CO 0.20 0.00 -0.48 0.78 -0.69 0.00 0.00 178.15 177.96 2e0g h ASN 59 N -0.65 -1.60 -0.94 1.72 2.35 -0.35 0.27 115.58 116.39 2e0g h ASN 59 Ca 0.03 0.23 0.20 0.00 -0.55 0.00 0.00 56.30 56.21 2e0g h ASN 59 Cb 0.70 0.69 -0.08 0.00 0.05 0.00 0.00 38.32 39.68 2e0g h ASN 59 CO -0.33 -0.37 0.61 1.23 -1.65 0.00 0.00 177.43 176.91 2e0g h GLY 60 N -0.33 1.15 0.43 2.83 0.00 -0.94 -1.76 103.07 104.44 2e0g h GLY 60 Ca 0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 2e0g h GLY 60 CO -0.61 -0.01 -0.02 -2.00 0.00 0.00 0.00 176.54 173.89 2e0g h LEU 61 N 0.53 -0.06 -0.52 3.11 6.46 0.56 -1.82 115.31 123.57 2e0g h LEU 61 Ca 0.50 -0.51 0.10 0.00 -0.12 0.00 0.00 57.88 57.86 2e0g h LEU 61 Cb 1.08 0.01 -0.10 0.00 -0.73 0.00 0.00 40.66 40.92 2e0g h LEU 61 CO -0.24 0.50 -0.18 -0.07 -0.62 0.00 0.00 178.44 177.83 2e0g h LEU 62 N -0.64 -0.65 -0.20 2.25 3.38 0.17 0.79 115.31 120.40 2e0g h LEU 62 Ca -0.01 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2e0g h LEU 62 Cb 0.56 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2e0g h LEU 62 CO 0.01 -0.22 0.05 0.74 0.09 0.00 0.00 178.44 179.12 2e0g h THR 63 N -0.06 1.20 0.00 0.22 2.02 -1.42 -1.55 112.91 113.31 2e0g h THR 63 Ca 0.24 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 2e0g h THR 63 Cb 0.44 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2e0g h THR 63 CO -0.56 0.20 -0.03 -1.28 0.37 0.00 0.00 175.52 174.22 2e0g h SER 64 N 0.15 0.00 0.11 4.18 0.87 -0.39 0.28 113.55 118.74 2e0g h SER 64 Ca 0.06 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.48 2e0g h SER 64 Cb 0.25 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.23 2e0g h SER 64 CO -0.00 0.03 -0.65 0.15 -0.53 0.00 0.00 176.83 175.83 2e0g h PHE 65 N 0.00 0.44 0.00 2.24 3.57 0.10 -3.45 116.94 119.84 2e0g h PHE 65 Ca -0.00 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 61.18 2e0g h PHE 65 Cb 0.28 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.00 2e0g h PHE 65 CO 0.00 1.25 -0.23 0.00 -2.23 0.00 0.00 178.31 177.09 2e0g n GLY 67 N 1.86 -1.44 3.40 0.00 0.00 0.96 -4.61 105.19 105.37 2e0g n GLY 67 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.21 0.00 -0.01 4.61 0.00 -1.26 -4.69 120.51 119.37 2e0g n ALA 68 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2e0g n ALA 68 Cb 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 19.45 19.17 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 0.00 3.62 -4.76 0.00 2.03 -1.26 -5.04 116.55 111.14 2e0g n ASP 69 Ca 0.00 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.01 2e0g n ASP 69 Cb 0.00 1.20 0.11 0.00 -0.72 0.00 0.00 41.12 41.71 2e0g n ASP 69 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e0g s ALA 70 N -2.38 1.94 1.02 -1.67 0.00 -1.26 -5.02 121.76 114.39 2e0g s ALA 70 Ca -0.02 -0.08 -0.13 0.00 0.00 0.00 0.00 51.96 51.73 2e0g s ALA 70 Cb 0.04 -3.17 0.20 0.00 0.00 0.00 0.00 23.12 20.19 2e0g s ALA 70 CO 0.25 -2.01 1.09 -1.25 0.00 0.00 0.00 175.76 173.85 2e0g s PRO 71 N -5.02 0.22 0.13 0.00 0.04 -1.26 -4.99 135.00 124.12 2e0g s PRO 71 Ca 0.62 0.46 0.07 0.00 0.04 0.00 0.00 61.00 62.18 2e0g s PRO 71 Cb -0.16 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 2e0g s PRO 71 CO 0.56 -2.86 -0.05 -0.65 0.04 0.00 0.00 177.00 174.04 2e0g s GLN 72 N -4.98 2.30 0.07 4.56 -0.21 -0.75 -4.88 119.66 115.77 2e0g s GLN 72 Ca 0.66 -1.03 -0.21 0.00 0.02 0.00 0.00 55.36 54.79 2e0g s GLN 72 Cb -0.18 -2.36 -0.07 0.00 1.00 0.00 0.00 33.01 31.40 2e0g s GLN 72 CO 0.58 0.49 0.63 -1.17 -2.12 0.00 0.00 175.29 173.70 2e0g s LEU 73 N -2.52 4.51 0.14 2.90 2.96 -1.26 0.32 118.68 125.73 2e0g s LEU 73 Ca 0.25 1.34 0.04 0.00 -0.22 0.00 0.00 54.13 55.53 2e0g s LEU 73 Cb -0.10 -3.01 -0.04 0.00 0.50 0.00 0.00 46.19 43.53 2e0g s LEU 73 CO 0.16 0.20 -0.08 -0.13 -1.32 0.00 0.00 176.35 175.18 2e0g s ARG 74 N -0.84 1.00 0.02 1.98 0.52 0.88 -4.89 118.95 117.63 2e0g s ARG 74 Ca 0.32 -1.43 -0.02 0.00 -0.52 0.00 0.00 55.73 54.08 2e0g s ARG 74 Cb -0.20 -0.48 -0.02 0.00 0.52 0.00 0.00 34.95 34.77 2e0g s ARG 74 CO 0.21 0.03 0.01 -0.06 0.02 0.00 0.00 175.30 175.51 2e0g s PHE 75 N -3.43 0.25 0.17 -0.53 0.08 -1.26 -0.10 117.98 113.17 2e0g s PHE 75 Ca 0.16 -0.54 -0.23 0.00 0.12 0.00 0.00 56.93 56.44 2e0g s PHE 75 Cb 0.04 -0.19 0.06 0.00 -0.57 0.00 0.00 43.02 42.36 2e0g s PHE 75 CO -0.01 -0.25 0.70 -2.00 -0.10 0.00 0.00 175.22 173.56 2e0g s GLU 76 N -1.91 1.35 -0.45 0.44 2.12 0.10 -4.83 118.70 115.52 2e0g s GLU 76 Ca -0.11 -0.60 -0.16 0.00 0.36 0.00 0.00 54.97 54.45 2e0g s GLU 76 Cb -0.06 0.56 0.05 0.00 0.26 0.00 0.00 34.13 34.94 2e0g s GLU 76 CO -0.02 -0.60 0.38 0.08 -0.54 0.00 0.00 175.26 174.56 2e0g s VAL 77 N -3.68 5.21 0.06 3.70 1.01 -1.26 -0.88 120.40 124.56 2e0g s VAL 77 Ca 0.05 -0.86 -0.23 0.00 0.00 0.00 0.00 61.98 60.94 2e0g s VAL 77 Cb -0.02 -4.07 -0.10 0.00 0.00 0.00 0.00 36.38 32.18 2e0g s VAL 77 CO -0.06 -0.50 1.36 1.23 0.00 0.00 0.00 175.10 177.13 2e0g h GLY 78 N 8.80 -1.12 -1.33 4.51 0.00 -0.30 -3.46 103.07 110.16 2e0g h GLY 78 Ca -0.28 0.54 -0.57 0.00 0.00 0.00 0.00 47.33 47.03 2e0g h GLY 78 CO 0.83 -0.34 -0.55 -1.08 0.00 0.00 0.00 176.54 175.40 2e0g s THR 79 N -4.81 1.06 0.23 4.70 -1.32 -1.25 -5.05 115.64 109.20 2e0g s THR 79 Ca -0.11 -2.00 0.09 0.00 -1.21 0.00 0.00 61.69 58.46 2e0g s THR 79 Cb 0.03 -2.52 -0.04 0.00 -1.51 0.00 0.00 72.50 68.46 2e0g s THR 79 CO 0.39 0.00 -0.04 -1.59 -2.21 0.00 0.00 174.62 171.17 2e0g s LYS 80 N -3.80 2.22 1.00 7.08 0.00 -1.26 -4.27 119.74 120.71 2e0g s LYS 80 Ca 0.25 -1.34 -0.12 0.00 0.00 0.00 0.00 55.97 54.75 2e0g s LYS 80 Cb 0.05 -2.17 0.19 0.00 0.00 0.00 0.00 37.83 35.89 2e0g s LYS 80 CO 0.13 0.40 1.09 -1.25 0.00 0.00 0.00 175.35 175.72 2e0g s PRO 81 N -3.33 0.43 0.36 1.78 0.04 -1.26 -5.03 135.00 127.99 2e0g s PRO 81 Ca 0.29 0.52 -0.18 0.00 0.04 0.00 0.00 61.00 61.67 2e0g s PRO 81 Cb -0.07 -1.74 -0.10 0.00 0.04 0.00 0.00 34.50 32.63 2e0g s PRO 81 CO 0.18 -2.73 0.83 0.08 0.04 0.00 0.00 177.00 175.40 2e0g s VAL 82 N -2.96 4.52 -0.30 -0.36 1.01 -1.26 -5.06 120.40 115.99 2e0g s VAL 82 Ca 0.65 1.25 -0.25 0.00 0.00 0.00 0.00 61.98 63.64 2e0g s VAL 82 Cb -0.19 -3.65 0.20 0.00 0.00 0.00 0.00 36.38 32.74 2e0g s VAL 82 CO 0.58 -0.18 1.48 0.28 0.00 0.00 0.00 175.10 177.25 2e0g s THR 83 N -2.00 0.00 -0.29 3.92 -1.32 -1.26 -5.18 115.64 109.51 2e0g s THR 83 Ca 0.56 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.84 2e0g s THR 83 Cb -0.11 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 70.06 2e0g s THR 83 CO 0.16 0.00 1.20 -1.10 -2.21 0.00 0.00 174.62 172.68 2e0g s GLN 84 N 0.04 0.21 -0.42 7.08 -0.21 -1.26 -5.11 119.66 120.00 2e0g s GLN 84 Ca 0.07 0.31 0.07 0.00 0.02 0.00 0.00 55.36 55.82 2e0g s GLN 84 Cb -0.05 0.07 0.22 0.00 1.00 0.00 0.00 33.01 34.25 2e0g s GLN 84 CO -0.16 -0.03 0.52 0.25 -2.12 0.00 0.00 175.29 173.74 2e0g n THR 85 N 2.66 -0.73 -1.25 -0.19 -2.24 -1.26 -5.14 114.28 106.13 2e0g n THR 85 Ca -0.15 -3.36 -0.31 0.00 -2.27 0.00 0.00 64.05 57.96 2e0g n THR 85 Cb 0.57 -1.29 0.10 0.00 -2.10 0.00 0.00 70.33 67.61 2e0g n THR 85 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2e0g s PRO 86 N -0.47 2.11 -0.01 -0.78 0.04 -1.26 -5.08 135.00 129.55 2e0g s PRO 86 Ca 0.34 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 62.21 2e0g s PRO 86 Cb 0.13 -1.88 0.08 0.00 0.04 0.00 0.00 34.50 32.86 2e0g s PRO 86 CO -0.15 -1.74 0.70 1.14 0.04 0.00 0.00 177.00 177.00 2e0g s GLN 87 N -4.91 1.06 -0.29 4.56 -2.07 -1.26 -5.18 119.66 111.57 2e0g s GLN 87 Ca 0.61 0.05 -0.26 0.00 -1.82 0.00 0.00 55.36 53.94 2e0g s GLN 87 Cb -0.17 0.50 0.19 0.00 -1.09 0.00 0.00 33.01 32.43 2e0g s GLN 87 CO 0.56 -0.37 1.40 0.00 -1.32 0.00 0.00 175.29 175.55 2e0g s ALA 88 N -1.88 -2.18 -0.30 2.60 0.00 -1.26 -5.17 121.76 113.57 2e0g s ALA 88 Ca -0.07 1.73 -0.19 0.00 0.00 0.00 0.00 51.96 53.44 2e0g s ALA 88 Cb -0.00 -1.69 0.19 0.00 0.00 0.00 0.00 23.12 21.62 2e0g s ALA 88 CO 0.03 -0.14 1.23 0.00 0.00 0.00 0.00 175.76 176.88 2e0g s ALA 89 N -0.22 -3.17 -0.07 0.00 0.00 -1.26 -5.18 121.76 111.87 2e0g s ALA 89 Ca 0.07 1.84 -0.12 0.00 0.00 0.00 0.00 51.96 53.75 2e0g s ALA 89 Cb -0.04 -2.24 0.03 0.00 0.00 0.00 0.00 23.12 20.86 2e0g s ALA 89 CO -0.13 -0.95 0.30 0.08 0.00 0.00 0.00 175.76 175.06 2e0g s VAL 90 N 2.09 0.03 -0.29 0.00 1.01 -1.26 -5.16 120.40 116.81 2e0g s VAL 90 Ca -0.00 -0.22 -0.26 0.00 0.00 0.00 0.00 61.98 61.50 2e0g s VAL 90 Cb -0.02 -0.51 0.19 0.00 0.00 0.00 0.00 36.38 36.04 2e0g s VAL 90 CO -0.16 -0.12 1.42 0.28 0.00 0.00 0.00 175.10 176.52 2e0g s THR 91 N -0.50 0.00 -0.30 3.92 -1.32 -1.26 -5.18 115.64 111.00 2e0g s THR 91 Ca -0.06 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.17 2e0g s THR 91 Cb -0.04 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.15 2e0g s THR 91 CO 0.02 0.00 1.47 -0.94 -2.21 0.00 0.00 174.62 172.96 2e0g s SER 92 N -0.17 -0.02 -0.30 8.08 1.04 -1.26 -5.17 113.70 115.90 2e0g s SER 92 Ca 0.08 0.05 -0.19 0.00 0.48 0.00 0.00 55.95 56.36 2e0g s SER 92 Cb -0.04 0.05 0.20 0.00 0.10 0.00 0.00 66.02 66.32 2e0g s SER 92 CO -0.14 -0.01 1.30 0.21 0.98 0.00 0.00 173.24 175.58 2e0g s ASN 93 N -0.02 -0.05 -0.13 7.02 2.47 -1.26 -5.17 114.94 117.80 2e0g s ASN 93 Ca 0.08 0.07 -0.10 0.00 0.42 0.00 0.00 52.86 53.33 2e0g s ASN 93 Cb -0.05 1.06 0.04 0.00 -1.45 0.00 0.00 41.25 40.85 2e0g s ASN 93 CO -0.16 -0.01 0.34 -0.69 -3.72 0.00 0.00 177.10 172.86 2e0g s VAL 94 N 2.01 -0.01 -0.26 -5.21 1.01 -1.26 -5.16 120.40 111.52 2e0g s VAL 94 Ca 0.00 0.05 -0.36 0.00 0.00 0.00 0.00 61.98 61.67 2e0g s VAL 94 Cb -0.01 -0.49 0.16 0.00 0.00 0.00 0.00 36.38 36.04 2e0g s VAL 94 CO -0.16 0.02 1.32 0.00 0.00 0.00 0.00 175.10 176.28 2e0g s ALA 95 N 0.66 -2.15 -0.16 5.51 0.00 -1.26 -5.19 121.76 119.17 2e0g s ALA 95 Ca -0.04 1.82 -0.34 0.00 0.00 0.00 0.00 51.96 53.40 2e0g s ALA 95 Cb -0.05 -0.45 0.13 0.00 0.00 0.00 0.00 23.12 22.75 2e0g s ALA 95 CO -0.04 -0.52 1.16 0.00 0.00 0.00 0.00 175.76 176.36 2e0g s ALA 96 N -2.03 -2.04 1.22 0.00 0.00 -1.26 -5.18 121.76 112.47 2e0g s ALA 96 Ca 0.11 1.47 -0.20 0.00 0.00 0.00 0.00 51.96 53.34 2e0g s ALA 96 Cb -0.01 -0.02 0.29 0.00 0.00 0.00 0.00 23.12 23.39 2e0g s ALA 96 CO -0.04 -0.63 1.11 -1.25 0.00 0.00 0.00 175.76 174.96 2e0g s PRO 97 N -2.52 -1.37 -0.30 0.00 0.04 -1.26 -5.09 135.00 124.50 2e0g s PRO 97 Ca 0.09 -0.12 -0.18 0.00 0.04 0.00 0.00 61.00 60.83 2e0g s PRO 97 Cb -0.01 -1.58 0.18 0.00 0.04 0.00 0.00 34.50 33.13 2e0g s PRO 97 CO -0.05 -3.80 1.21 0.00 0.04 0.00 0.00 177.00 174.40 2e0g s ALA 98 N -3.01 -3.56 -0.29 8.56 0.00 -1.26 -5.18 121.76 117.02 2e0g s ALA 98 Ca 0.71 1.52 -0.26 0.00 0.00 0.00 0.00 51.96 53.94 2e0g s ALA 98 Cb -0.09 -2.46 0.18 0.00 0.00 0.00 0.00 23.12 20.75 2e0g s ALA 98 CO 0.56 -1.28 1.39 -1.14 0.00 0.00 0.00 175.76 175.29 2e0g s GLN 99 N 2.63 0.11 -0.25 0.00 0.74 -1.26 -5.18 119.66 116.44 2e0g s GLN 99 Ca -0.05 0.11 -0.28 0.00 0.05 0.00 0.00 55.36 55.19 2e0g s GLN 99 Cb -0.06 0.05 0.17 0.00 1.10 0.00 0.00 33.01 34.27 2e0g s GLN 99 CO -0.11 -0.02 1.23 0.54 -0.55 0.00 0.00 175.29 176.38 2e0g s VAL 100 N -0.08 0.00 -0.25 1.34 0.11 -1.26 -5.19 120.40 115.06 2e0g s VAL 100 Ca 0.07 0.00 -0.36 0.00 -2.93 0.00 0.00 61.98 58.76 2e0g s VAL 100 Cb -0.04 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 33.96 2e0g s VAL 100 CO -0.14 0.00 1.32 0.00 -3.33 0.00 0.00 175.10 172.95 2e0g s ALA 101 N -0.72 -2.15 -0.25 1.54 0.00 -1.26 -5.19 121.76 113.72 2e0g s ALA 101 Ca 0.05 1.81 -0.37 0.00 0.00 0.00 0.00 51.96 53.44 2e0g s ALA 101 Cb -0.02 -0.42 0.15 0.00 0.00 0.00 0.00 23.12 22.83 2e0g s ALA 101 CO -0.06 -0.53 1.32 -1.14 0.00 0.00 0.00 175.76 175.35 2e0g s GLN 102 N -2.06 0.13 -0.12 0.00 2.00 -1.26 -5.19 119.66 113.16 2e0g s GLN 102 Ca 0.11 -0.05 -0.32 0.00 -2.00 0.00 0.00 55.36 53.10 2e0g s GLN 102 Cb -0.01 0.06 0.13 0.00 0.80 0.00 0.00 33.01 33.99 2e0g s GLN 102 CO -0.04 -0.06 1.08 -0.08 -0.50 0.00 0.00 175.29 175.70 2e0g s THR 103 N -2.17 0.00 0.12 -0.34 -1.32 -1.26 -5.19 115.64 105.48 2e0g s THR 103 Ca 0.11 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.45 2e0g s THR 103 Cb -0.01 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.00 2e0g s THR 103 CO -0.03 0.00 0.33 -1.10 -2.21 0.00 0.00 174.62 171.61 2e0g s GLN 104 N -2.47 1.02 0.64 7.08 -0.21 -1.26 -5.18 119.66 119.29 2e0g s GLN 104 Ca 0.07 -0.82 -0.11 0.00 0.02 0.00 0.00 55.36 54.52 2e0g s GLN 104 Cb -0.01 0.43 0.16 0.00 1.00 0.00 0.00 33.01 34.59 2e0g s GLN 104 CO -0.06 -0.38 0.57 -0.35 -2.12 0.00 0.00 175.29 172.96 2e0g n PRO 105 N -0.18 -2.14 -3.61 2.91 -0.04 -1.26 -5.10 135.00 125.59 2e0g n PRO 105 Ca -0.15 -0.92 -0.03 0.00 -0.04 0.00 0.00 63.50 62.36 2e0g n PRO 105 Cb 0.63 -0.86 -0.06 0.00 -0.04 0.00 0.00 33.50 33.17 2e0g n PRO 105 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2e0g s GLN 106 N -4.30 0.52 0.00 0.54 0.00 -1.26 -5.36 119.66 109.80 2e0g s GLN 106 Ca 0.37 1.02 0.00 0.00 -0.00 0.00 0.00 55.36 56.75 2e0g s GLN 106 Cb -0.04 0.28 0.00 0.00 0.00 0.00 0.00 33.01 33.26 2e0g s GLN 106 CO 0.29 -0.13 0.38 -2.13 0.00 0.00 0.00 175.29 173.70