#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 2.59 -4.79 -3.43 4.32 -1.26 -4.95 117.00 109.48 2e0g n LEU 2 Ca 0.00 -3.73 -0.26 0.00 -0.02 0.00 0.00 56.01 52.00 2e0g n LEU 2 Cb 0.00 0.20 -0.06 0.00 -1.62 0.00 0.00 43.42 41.95 2e0g n LEU 2 CO 0.00 1.48 -0.22 -0.94 -1.22 0.00 0.00 177.39 176.48 2e0g s SER 3 N -3.62 5.45 0.20 -1.43 1.04 -1.26 -5.02 113.70 109.07 2e0g s SER 3 Ca 0.34 -0.16 -0.14 0.00 0.48 0.00 0.00 55.95 56.47 2e0g s SER 3 Cb 0.37 -1.40 0.21 0.00 0.10 0.00 0.00 66.02 65.30 2e0g s SER 3 CO -0.02 0.06 1.65 -0.07 0.98 0.00 0.00 173.24 175.85 2e0g h LEU 4 N 2.37 -0.39 0.08 2.42 4.07 -1.99 -1.28 115.31 120.58 2e0g h LEU 4 Ca -0.48 0.15 0.01 0.00 0.08 0.00 0.00 57.88 57.64 2e0g h LEU 4 Cb 1.20 0.30 -0.03 0.00 1.08 0.00 0.00 40.66 43.21 2e0g h LEU 4 CO 0.63 -0.14 -0.32 -0.25 -1.08 0.00 0.00 178.44 177.27 2e0g h TRP 5 N 0.05 -0.93 -1.08 1.13 7.01 -1.97 0.18 115.95 120.34 2e0g h TRP 5 Ca 0.27 0.02 0.30 0.00 2.11 0.00 0.00 58.89 61.60 2e0g h TRP 5 Cb 0.42 0.40 -0.06 0.00 -2.10 0.00 0.00 29.16 27.82 2e0g h TRP 5 CO -0.40 -0.36 0.75 -0.56 -2.79 0.00 0.00 178.44 175.07 2e0g h GLN 6 N -0.46 0.14 0.05 2.65 -0.00 -1.86 -0.00 115.11 115.63 2e0g h GLN 6 Ca -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.63 2e0g h GLN 6 Cb 0.46 -0.03 0.00 0.00 -0.00 0.00 0.00 27.48 27.91 2e0g h GLN 6 CO -0.17 0.09 -0.02 0.37 -0.00 0.00 0.00 178.83 179.10 2e0g h GLN 7 N 0.15 -0.07 -0.97 0.06 4.15 0.05 -1.80 115.11 116.67 2e0g h GLN 7 Ca 0.55 0.00 0.12 0.00 0.77 0.00 0.00 58.65 60.10 2e0g h GLN 7 Cb 1.89 0.02 -0.09 0.00 0.21 0.00 0.00 27.48 29.50 2e0g h GLN 7 CO -0.11 0.43 0.60 0.00 -1.93 0.00 0.00 178.83 177.82 2e0g h LEU 9 N 0.93 -0.36 -0.94 0.00 3.38 -1.33 -1.90 115.31 115.09 2e0g h LEU 9 Ca 0.49 -0.18 0.22 0.00 0.09 0.00 0.00 57.88 58.49 2e0g h LEU 9 Cb 0.52 0.09 -0.12 0.00 0.09 0.00 0.00 40.66 41.24 2e0g h LEU 9 CO -0.28 0.04 0.50 0.00 0.09 0.00 0.00 178.44 178.80 2e0g h ALA 10 N -0.33 1.58 -0.47 1.53 0.00 -0.94 0.33 119.26 120.96 2e0g h ALA 10 Ca -0.04 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2e0g h ALA 10 Cb 0.52 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2e0g h ALA 10 CO 0.07 -0.24 -0.21 -0.09 0.00 0.00 0.00 179.25 178.78 2e0g h ARG 11 N 0.55 0.97 -0.13 0.00 1.12 -1.17 0.27 114.38 115.99 2e0g h ARG 11 Ca 0.58 -0.42 -0.11 0.00 -1.11 0.00 0.00 59.98 58.92 2e0g h ARG 11 Cb 1.04 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.96 2e0g h ARG 11 CO -0.47 1.09 -0.40 1.25 -3.11 0.00 0.00 179.97 178.33 2e0g h LEU 12 N 0.82 0.29 0.00 3.80 6.46 0.03 0.14 115.31 126.86 2e0g h LEU 12 Ca 0.11 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2e0g h LEU 12 Cb 0.79 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 2e0g h LEU 12 CO 0.07 0.67 -0.63 -0.61 -0.62 0.00 0.00 178.44 177.32 2e0g h GLN 13 N 0.24 0.00 0.11 1.25 5.75 -0.32 -3.30 115.11 118.84 2e0g h GLN 13 Ca 0.02 0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 58.17 2e0g h GLN 13 Cb 0.82 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.35 2e0g h GLN 13 CO 0.06 0.00 -1.93 0.22 -2.65 0.00 0.00 178.83 174.53 2e0g h ASP 14 N 0.00 0.37 -0.33 -0.69 3.58 -0.17 -3.36 116.42 115.82 2e0g h ASP 14 Ca 0.00 -0.82 -0.03 0.00 0.42 0.00 0.00 57.03 56.61 2e0g h ASP 14 Cb 0.85 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.76 2e0g h ASP 14 CO 0.00 1.73 0.13 -0.08 -2.88 0.00 0.00 179.24 178.15 2e0g h GLU 15 N 0.07 0.56 -1.22 0.28 4.81 -0.86 -3.46 114.58 114.75 2e0g h GLU 15 Ca -0.40 -0.08 0.28 0.00 -0.13 0.00 0.00 59.36 59.03 2e0g h GLU 15 Cb 2.04 -0.10 -0.21 0.00 0.63 0.00 0.00 28.75 31.10 2e0g h GLU 15 CO 0.10 0.48 0.90 -0.48 -0.73 0.00 0.00 179.01 179.28 2e0g s LEU 16 N -9.27 -0.07 -0.54 1.64 2.34 -1.24 -5.11 118.68 106.42 2e0g s LEU 16 Ca -0.08 0.02 -0.27 0.00 0.06 0.00 0.00 54.13 53.86 2e0g s LEU 16 Cb 0.16 1.20 -0.02 0.00 -0.56 0.00 0.00 46.19 46.97 2e0g s LEU 16 CO 0.75 -0.11 1.82 -2.16 -1.06 0.00 0.00 176.35 175.59 2e0g s PRO 17 N -1.95 2.82 -0.40 1.48 0.04 -1.26 -4.31 135.00 131.42 2e0g s PRO 17 Ca 0.10 0.79 0.03 0.00 0.04 0.00 0.00 61.00 61.96 2e0g s PRO 17 Cb -0.01 -4.33 0.16 0.00 0.04 0.00 0.00 34.50 30.37 2e0g s PRO 17 CO -0.04 -2.49 0.36 0.00 0.04 0.00 0.00 177.00 174.87 2e0g s ALA 18 N 8.43 0.65 -0.43 8.56 0.00 -1.26 -4.96 121.76 132.74 2e0g s ALA 18 Ca 0.69 -1.89 0.18 0.00 0.00 0.00 0.00 51.96 50.94 2e0g s ALA 18 Cb -0.15 -1.78 0.91 0.00 0.00 0.00 0.00 23.12 22.11 2e0g s ALA 18 CO 0.24 -2.06 1.55 2.41 0.00 0.00 0.00 175.76 177.91 2e0g n THR 19 N 3.32 1.15 -0.11 0.00 -1.04 -1.26 -3.33 114.28 113.02 2e0g n THR 19 Ca 0.22 0.56 -0.09 0.00 -2.04 0.00 0.00 64.05 62.71 2e0g n THR 19 Cb 0.46 -1.53 -0.06 0.00 -1.82 0.00 0.00 70.33 67.37 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 -0.22 -0.78 -2.82 5.08 -2.00 0.26 114.58 114.10 2e0g h GLU 20 Ca 0.00 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.57 2e0g h GLU 20 Cb 0.09 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2e0g h GLU 20 CO 0.00 -0.15 0.54 0.27 -1.00 0.00 0.00 179.01 178.67 2e0g h PHE 21 N -0.23 0.26 0.00 4.33 -5.15 -1.92 0.61 116.94 114.84 2e0g h PHE 21 Ca 0.05 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.83 2e0g h PHE 21 Cb 0.36 -0.08 0.00 0.00 0.22 0.00 0.00 35.95 36.45 2e0g h PHE 21 CO -0.71 0.08 0.00 0.45 -2.00 0.00 0.00 178.31 176.13 2e0g n SER 22 N -4.41 0.64 -0.06 -0.68 2.88 0.85 -1.50 113.62 111.34 2e0g n SER 22 Ca 0.16 0.71 -0.05 0.00 -1.33 0.00 0.00 58.87 58.36 2e0g n SER 22 Cb 0.71 -0.83 -0.11 0.00 -0.75 0.00 0.00 64.21 63.23 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 1.55 -1.13 -1.46 2.81 0.20 -3.73 117.12 113.10 2e0g n MET 23 Ca 0.01 -0.02 -0.17 0.00 -1.81 0.00 0.00 57.70 55.70 2e0g n MET 23 Cb 0.15 -1.36 0.21 0.00 -0.71 0.00 0.00 33.22 31.51 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 -2.46 2.68 0.00 2.03 7.02 -0.50 -4.40 117.44 121.81 2e0g n TRP 24 Ca -0.20 -1.66 0.00 0.00 -1.02 0.00 0.00 57.50 54.62 2e0g n TRP 24 Cb 0.89 -0.83 0.00 0.00 -2.42 0.00 0.00 31.31 28.95 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 -0.90 0.00 0.00 -0.99 2.08 -0.56 -4.81 119.36 114.18 2e0g n ILE 25 Ca 0.52 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.69 2e0g n ILE 25 Cb 1.53 -0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 40.34 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 -0.53 0.00 0.38 2.47 -1.72 0.10 114.38 115.09 2e0g h ARG 26 Ca 0.00 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2e0g h ARG 26 Cb 0.00 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 2e0g h ARG 26 CO 0.00 -0.35 0.00 -0.35 0.56 0.00 0.00 179.97 179.83 2e0g n PRO 27 N -5.44 0.07 -2.49 0.04 -0.04 -1.26 -4.76 135.00 121.11 2e0g n PRO 27 Ca -0.05 0.22 -0.25 0.00 -0.04 0.00 0.00 63.50 63.38 2e0g n PRO 27 Cb 0.37 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.85 3.22 -0.25 1.53 1.43 0.36 -4.86 118.68 117.25 2e0g s LEU 28 Ca 0.09 0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.68 2e0g s LEU 28 Cb 0.09 -3.27 0.06 0.00 0.03 0.00 0.00 46.19 43.11 2e0g s LEU 28 CO 0.25 -1.13 -0.05 -1.58 0.23 0.00 0.00 176.35 174.06 2e0g s GLN 29 N -4.94 1.73 0.09 1.70 -0.44 -0.26 -4.92 119.66 112.62 2e0g s GLN 29 Ca 0.55 -1.13 -0.25 0.00 -2.50 0.00 0.00 55.36 52.02 2e0g s GLN 29 Cb -0.10 -2.68 -0.06 0.00 -1.64 0.00 0.00 33.01 28.52 2e0g s GLN 29 CO 0.43 -0.63 0.77 0.00 0.50 0.00 0.00 175.29 176.36 2e0g s ALA 30 N 1.30 3.40 -0.15 1.58 0.00 -1.26 -0.21 121.76 126.42 2e0g s ALA 30 Ca -0.05 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2e0g s ALA 30 Cb -0.19 -2.99 0.02 0.00 0.00 0.00 0.00 23.12 19.97 2e0g s ALA 30 CO -0.07 0.15 -0.14 -2.00 0.00 0.00 0.00 175.76 173.70 2e0g s GLU 31 N -0.46 2.34 -0.19 0.00 2.12 0.98 -4.95 118.70 118.53 2e0g s GLU 31 Ca 0.38 -0.59 -0.25 0.00 0.36 0.00 0.00 54.97 54.86 2e0g s GLU 31 Cb -0.22 -2.16 -0.01 0.00 0.26 0.00 0.00 34.13 32.01 2e0g s GLU 31 CO 0.24 -0.24 0.83 -0.51 -0.54 0.00 0.00 175.26 175.04 2e0g s LEU 32 N 1.47 4.15 -0.31 2.70 1.43 -1.26 -1.36 118.68 125.49 2e0g s LEU 32 Ca 0.05 1.14 0.11 0.00 -1.03 0.00 0.00 54.13 54.39 2e0g s LEU 32 Cb -0.13 -3.22 0.76 0.00 0.03 0.00 0.00 46.19 43.63 2e0g s LEU 32 CO -0.11 -0.43 1.79 -1.20 0.23 0.00 0.00 176.35 176.63 2e0g n SER 33 N 5.45 5.00 0.00 2.29 7.64 0.05 -4.87 113.62 129.18 2e0g n SER 33 Ca 0.05 -3.18 0.00 0.00 1.01 0.00 0.00 58.87 56.75 2e0g n SER 33 Cb 0.48 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 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 -0.02 0.00 -0.14 6.43 -0.08 -1.26 -4.32 116.55 117.16 2e0g n ASP 34 Ca 0.38 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.66 2e0g n ASP 34 Cb 1.35 -0.50 -0.00 0.00 2.34 0.00 0.00 41.12 44.30 2e0g n ASP 34 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2e0g n ASN 35 N 0.00 -0.01 -3.62 1.67 5.03 -1.26 -5.04 115.26 112.02 2e0g n ASN 35 Ca 0.00 -0.23 -0.03 0.00 0.87 0.00 0.00 54.58 55.19 2e0g n ASN 35 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 38.71 2e0g n ASN 35 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2e0g s THR 36 N 0.00 -0.62 -0.57 3.41 2.01 -1.26 -1.82 115.64 116.79 2e0g s THR 36 Ca 0.00 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.82 2e0g s THR 36 Cb 0.00 -1.00 0.10 0.00 0.01 0.00 0.00 72.50 71.61 2e0g s THR 36 CO 0.00 0.00 0.65 -0.22 -0.69 0.00 0.00 174.62 174.36 2e0g s LEU 37 N 2.42 5.52 0.12 4.42 0.20 0.96 -0.77 118.68 131.55 2e0g s LEU 37 Ca -0.07 -1.46 -0.13 0.00 0.69 0.00 0.00 54.13 53.16 2e0g s LEU 37 Cb -0.09 -2.29 -0.06 0.00 -0.43 0.00 0.00 46.19 43.31 2e0g s LEU 37 CO -0.19 -1.04 0.49 0.00 -0.29 0.00 0.00 176.35 175.32 2e0g s ALA 38 N 2.45 3.63 -0.13 5.97 0.00 -0.47 -0.08 121.76 133.13 2e0g s ALA 38 Ca 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.83 2e0g s ALA 38 Cb -0.25 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 2e0g s ALA 38 CO 0.06 0.50 -0.11 -0.51 0.00 0.00 0.00 175.76 175.69 2e0g s LEU 39 N -1.94 2.80 -0.38 0.00 2.01 0.13 -0.01 118.68 121.30 2e0g s LEU 39 Ca 0.36 -0.30 -0.06 0.00 0.01 0.00 0.00 54.13 54.15 2e0g s LEU 39 Cb -0.15 -1.64 0.07 0.00 0.01 0.00 0.00 46.19 44.49 2e0g s LEU 39 CO 0.19 0.16 0.17 -0.31 1.01 0.00 0.00 176.35 177.57 2e0g s TYR 40 N 0.36 3.36 0.31 0.29 1.51 0.70 -0.62 117.35 123.26 2e0g s TYR 40 Ca -0.10 -1.76 0.08 0.00 -1.01 0.00 0.00 57.07 54.28 2e0g s TYR 40 Cb -0.16 -2.71 -0.04 0.00 -0.11 0.00 0.00 41.96 38.94 2e0g s TYR 40 CO 0.05 -0.84 0.16 0.00 -1.11 0.00 0.00 175.55 173.81 2e0g s ALA 41 N 1.33 3.54 -0.85 3.71 0.00 -0.51 -1.11 121.76 127.87 2e0g s ALA 41 Ca 0.02 -1.66 0.17 0.00 0.00 0.00 0.00 51.96 50.48 2e0g s ALA 41 Cb -0.22 -0.97 0.71 0.00 0.00 0.00 0.00 23.12 22.65 2e0g s ALA 41 CO 0.00 0.12 1.53 -0.35 0.00 0.00 0.00 175.76 177.06 2e0g n PRO 42 N -1.16 0.05 -3.89 0.00 -0.04 -1.26 0.68 135.00 129.38 2e0g n PRO 42 Ca -0.04 0.30 -0.11 0.00 -0.04 0.00 0.00 63.50 63.61 2e0g n PRO 42 Cb 0.60 -1.61 0.01 0.00 -0.04 0.00 0.00 33.50 32.46 2e0g n PRO 42 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2e0g s ASN 43 N -3.35 0.35 0.09 3.54 4.22 -1.26 -4.82 114.94 113.72 2e0g s ASN 43 Ca 0.06 -1.32 0.13 0.00 -2.14 0.00 0.00 52.86 49.59 2e0g s ASN 43 Cb 0.09 0.82 -0.14 0.00 1.28 0.00 0.00 41.25 43.30 2e0g s ASN 43 CO 0.30 -1.62 1.03 -0.09 -2.04 0.00 0.00 177.10 174.68 2e0g h ARG 44 N 2.02 0.00 -0.13 3.55 2.43 -1.93 -3.36 114.38 116.97 2e0g h ARG 44 Ca -0.32 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.89 2e0g h ARG 44 Cb 1.25 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.73 2e0g h ARG 44 CO 0.42 0.58 -0.34 0.74 -1.51 0.00 0.00 179.97 179.86 2e0g h PHE 45 N 0.00 -0.94 -0.44 2.20 0.04 -1.99 -1.63 116.94 114.18 2e0g h PHE 45 Ca -0.12 0.04 0.07 0.00 2.80 0.00 0.00 57.97 60.76 2e0g h PHE 45 Cb 1.71 0.43 -0.06 0.00 2.20 0.00 0.00 35.95 40.23 2e0g h PHE 45 CO 0.00 -0.41 0.10 0.28 -0.60 0.00 0.00 178.31 177.67 2e0g h VAL 46 N -0.41 0.78 -0.09 -0.55 2.07 -2.00 -1.99 116.25 114.05 2e0g h VAL 46 Ca 0.09 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.57 2e0g h VAL 46 Cb 0.56 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 2e0g h VAL 46 CO -0.36 0.04 -0.46 -0.07 0.02 0.00 0.00 177.57 176.74 2e0g h LEU 47 N 0.23 -1.44 -0.61 2.57 3.38 -1.51 0.28 115.31 118.22 2e0g h LEU 47 Ca 0.21 0.18 0.11 0.00 0.09 0.00 0.00 57.88 58.48 2e0g h LEU 47 Cb 0.26 0.57 -0.09 0.00 0.09 0.00 0.00 40.66 41.49 2e0g h LEU 47 CO -0.27 -0.46 0.14 -0.78 0.09 0.00 0.00 178.44 177.16 2e0g h ASP 48 N -0.55 0.03 0.65 -0.43 3.58 -1.01 0.16 116.42 118.85 2e0g h ASP 48 Ca 0.05 0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.58 2e0g h ASP 48 Cb 0.66 0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.86 2e0g h ASP 48 CO -0.39 0.02 -0.31 -0.25 -2.88 0.00 0.00 179.24 175.43 2e0g h TRP 49 N 0.28 -0.80 -0.54 0.28 2.91 -0.55 -1.70 115.95 115.81 2e0g h TRP 49 Ca 0.32 -0.02 0.09 0.00 1.13 0.00 0.00 58.89 60.41 2e0g h TRP 49 Cb 0.48 0.27 -0.07 0.00 -0.51 0.00 0.00 29.16 29.32 2e0g h TRP 49 CO -0.24 -0.50 0.16 0.28 -1.03 0.00 0.00 178.44 177.12 2e0g h VAL 50 N -0.87 0.76 0.00 2.65 2.07 -0.00 0.28 116.25 121.13 2e0g h VAL 50 Ca -0.09 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2e0g h VAL 50 Cb 0.67 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2e0g h VAL 50 CO 0.15 0.06 0.00 -1.14 0.02 0.00 0.00 177.57 176.65 2e0g n ARG 51 N -5.05 0.11 -0.06 1.57 0.00 0.52 0.04 116.66 113.79 2e0g n ARG 51 Ca 0.07 0.48 -0.13 0.00 -0.00 0.00 0.00 57.85 58.27 2e0g n ARG 51 Cb 0.25 -1.78 -0.12 0.00 0.00 0.00 0.00 32.46 30.81 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 -0.00 0.00 6.15 1.82 0.52 -3.35 116.42 121.55 2e0g h ASP 52 Ca 0.00 -0.90 0.00 0.00 -0.39 0.00 0.00 57.03 55.74 2e0g h ASP 52 Cb 0.16 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.17 2e0g h ASP 52 CO 0.00 0.93 -0.74 2.29 -1.61 0.00 0.00 179.24 180.12 2e0g n LYS 53 N -4.64 0.39 -0.35 0.28 0.00 -1.05 -4.35 118.16 108.44 2e0g n LYS 53 Ca -0.09 0.15 -0.03 0.00 -0.00 0.00 0.00 58.31 58.34 2e0g n LYS 53 Cb 0.43 -1.18 0.02 0.00 -0.00 0.00 0.00 35.03 34.30 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 -0.74 -1.17 -0.23 5.58 3.20 -0.63 -1.35 116.97 121.64 2e0g h TYR 54 Ca 0.00 0.10 0.02 0.00 3.14 0.00 0.00 58.73 62.00 2e0g h TYR 54 Cb 0.74 0.64 -0.04 0.00 1.54 0.00 0.00 36.73 39.61 2e0g h TYR 54 CO -0.32 -0.40 -0.24 1.25 -1.64 0.00 0.00 178.16 176.81 2e0g h LEU 55 N -0.04 -0.83 -0.96 2.82 5.85 -1.56 0.20 115.31 120.80 2e0g h LEU 55 Ca 0.30 0.11 0.14 0.00 0.84 0.00 0.00 57.88 59.27 2e0g h LEU 55 Cb 0.57 0.35 -0.15 0.00 0.37 0.00 0.00 40.66 41.80 2e0g h LEU 55 CO -0.93 -0.16 -0.42 0.78 -0.34 0.00 0.00 178.44 177.37 2e0g h ASN 56 N -0.14 -1.56 0.30 1.25 -0.26 -1.46 0.32 115.58 114.04 2e0g h ASN 56 Ca 0.04 0.31 0.00 0.00 -0.56 0.00 0.00 56.30 56.09 2e0g h ASN 56 Cb 0.24 0.78 -0.03 0.00 -1.06 0.00 0.00 38.32 38.25 2e0g h ASN 56 CO -0.29 -0.28 -0.36 0.78 -1.06 0.00 0.00 177.43 176.22 2e0g h ASN 57 N -0.02 -1.00 -0.37 5.81 2.35 -0.78 -2.04 115.58 119.52 2e0g h ASN 57 Ca 0.30 0.09 0.08 0.00 -0.55 0.00 0.00 56.30 56.22 2e0g h ASN 57 Cb 0.56 0.35 -0.08 0.00 0.05 0.00 0.00 38.32 39.20 2e0g h ASN 57 CO -0.95 -0.49 -0.20 0.40 -1.65 0.00 0.00 177.43 174.54 2e0g h ILE 58 N -0.71 0.42 -0.40 2.81 1.08 0.13 -1.89 117.51 118.95 2e0g h ILE 58 Ca -0.01 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.54 2e0g h ILE 58 Cb 0.66 0.42 -0.09 0.00 -3.07 0.00 0.00 36.82 34.74 2e0g h ILE 58 CO -0.10 0.00 -0.30 0.78 -0.69 0.00 0.00 178.15 177.84 2e0g h ASN 59 N -0.14 -0.99 -0.94 1.72 -0.26 -0.20 0.31 115.58 115.08 2e0g h ASN 59 Ca 0.18 0.18 0.14 0.00 -0.56 0.00 0.00 56.30 56.25 2e0g h ASN 59 Cb 0.43 0.48 -0.08 0.00 -1.06 0.00 0.00 38.32 38.08 2e0g h ASN 59 CO -0.46 -0.30 0.60 1.23 -1.06 0.00 0.00 177.43 177.44 2e0g h GLY 60 N -0.23 1.41 0.39 2.83 0.00 -0.64 -1.59 103.07 105.24 2e0g h GLY 60 Ca 0.18 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 2e0g h GLY 60 CO -0.53 0.09 -0.00 -2.00 0.00 0.00 0.00 176.54 174.10 2e0g h LEU 61 N 0.79 -0.00 -0.58 3.11 6.46 -0.31 -1.99 115.31 122.79 2e0g h LEU 61 Ca 0.48 -0.61 0.12 0.00 -0.12 0.00 0.00 57.88 57.75 2e0g h LEU 61 Cb 0.68 0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 40.51 2e0g h LEU 61 CO -0.24 0.61 -0.06 -0.07 -0.62 0.00 0.00 178.44 178.06 2e0g h LEU 62 N -0.62 -0.37 -0.24 2.25 4.07 0.03 0.64 115.31 121.07 2e0g h LEU 62 Ca -0.00 0.16 -0.04 0.00 0.08 0.00 0.00 57.88 58.08 2e0g h LEU 62 Cb 0.61 0.30 -0.01 0.00 1.08 0.00 0.00 40.66 42.64 2e0g h LEU 62 CO 0.00 -0.14 0.01 0.74 -1.08 0.00 0.00 178.44 177.97 2e0g h THR 63 N 0.06 1.25 0.00 0.22 2.02 -1.37 -1.49 112.91 113.60 2e0g h THR 63 Ca 0.29 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 2e0g h THR 63 Cb 0.46 1.35 -0.00 0.00 -1.74 0.00 0.00 68.15 68.23 2e0g h THR 63 CO -0.54 0.27 -0.02 -1.28 0.37 0.00 0.00 175.52 174.32 2e0g h SER 64 N 0.19 0.00 0.12 4.18 0.87 -0.48 0.33 113.55 118.77 2e0g h SER 64 Ca 0.07 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.43 2e0g h SER 64 Cb 0.39 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.36 2e0g h SER 64 CO 0.01 0.02 -0.91 0.15 -0.53 0.00 0.00 176.83 175.57 2e0g h PHE 65 N 0.00 0.46 0.00 2.24 3.57 0.63 -3.45 116.94 120.39 2e0g h PHE 65 Ca -0.00 -0.34 0.00 0.00 3.53 0.00 0.00 57.97 61.16 2e0g h PHE 65 Cb 0.30 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.02 2e0g h PHE 65 CO 0.00 1.35 -0.35 0.00 -2.23 0.00 0.00 178.31 177.08 2e0g n GLY 67 N 2.04 -1.63 3.42 0.00 0.00 0.12 -4.60 105.19 104.54 2e0g n GLY 67 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 0.23 0.00 0.04 4.61 0.00 -1.26 -4.69 120.51 119.44 2e0g n ALA 68 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2e0g n ALA 68 Cb 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 19.45 19.18 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 3.22 -4.66 0.00 2.03 -1.26 -5.04 116.55 110.84 2e0g n ASP 69 Ca 0.00 -0.10 -0.30 0.00 0.52 0.00 0.00 54.79 54.91 2e0g n ASP 69 Cb 0.00 1.20 0.17 0.00 -0.72 0.00 0.00 41.12 41.77 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 -2.22 1.16 1.00 -1.67 0.00 -1.26 -5.01 121.76 113.76 2e0g s ALA 70 Ca -0.01 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.15 2e0g s ALA 70 Cb 0.03 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2e0g s ALA 70 CO 0.21 -2.76 0.00 -0.35 0.00 0.00 0.00 175.76 172.86 2e0g n PRO 71 N -4.20 -0.46 -4.58 0.00 -0.04 -1.26 -5.01 135.00 119.45 2e0g n PRO 71 Ca 0.08 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.27 2e0g n PRO 71 Cb 0.54 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.91 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 -2.16 1.99 0.05 0.54 -0.21 -0.76 -4.95 119.66 114.17 2e0g s GLN 72 Ca 0.00 -2.23 0.06 0.00 0.02 0.00 0.00 55.36 53.21 2e0g s GLN 72 Cb 0.00 -0.89 -0.04 0.00 1.00 0.00 0.00 33.01 33.08 2e0g s GLN 72 CO 0.00 -0.43 -0.12 -0.51 -2.12 0.00 0.00 175.29 172.12 2e0g s LEU 73 N -3.68 2.93 0.11 2.90 1.43 -1.26 -0.03 118.68 121.08 2e0g s LEU 73 Ca 0.20 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.01 2e0g s LEU 73 Cb 0.03 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 2e0g s LEU 73 CO 0.11 0.24 -0.09 -0.13 0.23 0.00 0.00 176.35 176.71 2e0g s ARG 74 N -1.67 0.87 -0.02 1.70 3.00 0.88 -4.86 118.95 118.86 2e0g s ARG 74 Ca 0.18 -1.25 -0.06 0.00 0.00 0.00 0.00 55.73 54.60 2e0g s ARG 74 Cb -0.11 -0.45 0.00 0.00 0.00 0.00 0.00 34.95 34.39 2e0g s ARG 74 CO 0.09 0.05 0.12 -0.06 0.00 0.00 0.00 175.30 175.50 2e0g s PHE 75 N -2.89 -0.02 0.04 -0.53 0.40 -1.26 0.19 117.98 113.91 2e0g s PHE 75 Ca 0.09 0.05 -0.28 0.00 -0.60 0.00 0.00 56.93 56.19 2e0g s PHE 75 Cb 0.00 -0.02 0.09 0.00 0.51 0.00 0.00 43.02 43.60 2e0g s PHE 75 CO -0.01 -0.19 0.93 -2.00 0.70 0.00 0.00 175.22 174.65 2e0g s GLU 76 N -0.78 0.92 -0.46 0.44 2.12 0.21 -4.86 118.70 116.30 2e0g s GLU 76 Ca -0.09 -0.41 -0.16 0.00 0.36 0.00 0.00 54.97 54.67 2e0g s GLU 76 Cb -0.05 0.38 0.06 0.00 0.26 0.00 0.00 34.13 34.77 2e0g s GLU 76 CO 0.01 -0.41 0.42 0.08 -0.54 0.00 0.00 175.26 174.82 2e0g s VAL 77 N -3.14 5.16 0.00 3.70 1.01 -1.26 -1.42 120.40 124.45 2e0g s VAL 77 Ca 0.08 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2e0g s VAL 77 Cb -0.01 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.26 2e0g s VAL 77 CO -0.05 -0.56 0.00 0.61 0.00 0.00 0.00 175.10 175.10 2e0g n GLY 78 N 5.18 0.75 3.85 4.51 0.00 0.21 -4.65 105.19 115.05 2e0g n GLY 78 Ca -0.11 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.72 2e0g n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2e0g s THR 79 N 0.00 5.07 -0.73 2.61 2.01 -1.26 -4.85 115.64 118.48 2e0g s THR 79 Ca 0.00 0.61 -0.05 0.00 0.31 0.00 0.00 61.69 62.56 2e0g s THR 79 Cb 0.00 -3.67 0.19 0.00 0.01 0.00 0.00 72.50 69.03 2e0g s THR 79 CO 0.00 0.40 0.59 -0.75 -0.69 0.00 0.00 174.62 174.17 2e0g s LYS 80 N -1.59 2.95 1.00 4.92 2.47 -1.26 -5.08 119.74 123.15 2e0g s LYS 80 Ca 0.29 -2.71 -0.12 0.00 -1.56 0.00 0.00 55.97 51.87 2e0g s LYS 80 Cb -0.15 -3.93 0.19 0.00 -1.46 0.00 0.00 37.83 32.48 2e0g s LYS 80 CO 0.16 -1.22 1.09 -1.25 0.16 0.00 0.00 175.35 174.30 2e0g s PRO 81 N -0.35 0.42 0.51 4.03 0.04 -1.26 -4.97 135.00 133.42 2e0g s PRO 81 Ca 0.20 0.52 -0.22 0.00 0.04 0.00 0.00 61.00 61.54 2e0g s PRO 81 Cb -0.15 -1.74 -0.08 0.00 0.04 0.00 0.00 34.50 32.57 2e0g s PRO 81 CO -0.06 -2.74 1.03 1.55 0.04 0.00 0.00 177.00 176.82 2e0g n VAL 82 N -4.18 3.05 -3.69 -0.36 3.14 -1.26 -5.02 118.33 110.00 2e0g n VAL 82 Ca 0.05 -0.50 -0.12 0.00 -2.96 0.00 0.00 64.34 60.81 2e0g n VAL 82 Cb 0.57 -1.23 -0.09 0.00 -1.06 0.00 0.00 33.84 32.03 2e0g n VAL 82 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 2e0g s THR 83 N -1.38 -0.01 0.02 1.55 -1.32 -1.26 -5.17 115.64 108.07 2e0g s THR 83 Ca 0.69 0.03 -0.16 0.00 -1.21 0.00 0.00 61.69 61.03 2e0g s THR 83 Cb -0.48 -0.72 0.03 0.00 -1.51 0.00 0.00 72.50 69.82 2e0g s THR 83 CO 0.52 0.01 0.35 -1.58 -2.21 0.00 0.00 174.62 171.71 2e0g s GLN 84 N 0.75 0.79 -0.47 7.08 0.74 -1.26 -5.11 119.66 122.18 2e0g s GLN 84 Ca -0.04 -0.31 0.06 0.00 0.05 0.00 0.00 55.36 55.12 2e0g s GLN 84 Cb -0.05 0.35 0.24 0.00 1.10 0.00 0.00 33.01 34.65 2e0g s GLN 84 CO -0.06 -0.24 0.83 2.41 -0.55 0.00 0.00 175.29 177.68 2e0g n THR 85 N 0.86 -0.12 -2.26 -0.34 -1.04 -1.26 -5.15 114.28 104.99 2e0g n THR 85 Ca -0.20 -1.90 -0.38 0.00 -2.04 0.00 0.00 64.05 59.54 2e0g n THR 85 Cb 0.58 0.93 -0.01 0.00 -1.82 0.00 0.00 70.33 70.01 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 0.40 3.89 -0.30 -2.82 0.04 -1.26 -5.04 135.00 129.91 2e0g s PRO 86 Ca 0.32 1.83 -0.18 0.00 0.04 0.00 0.00 61.00 63.02 2e0g s PRO 86 Cb 0.22 -2.54 0.20 0.00 0.04 0.00 0.00 34.50 32.41 2e0g s PRO 86 CO -0.22 -0.46 1.24 -1.14 0.04 0.00 0.00 177.00 176.46 2e0g s GLN 87 N -2.51 0.08 -0.01 4.56 -0.44 -1.26 -5.19 119.66 114.90 2e0g s GLN 87 Ca 0.60 0.17 -0.28 0.00 -2.50 0.00 0.00 55.36 53.35 2e0g s GLN 87 Cb -0.30 0.07 0.09 0.00 -1.64 0.00 0.00 33.01 31.23 2e0g s GLN 87 CO 0.37 -0.02 1.27 0.00 0.50 0.00 0.00 175.29 177.41 2e0g s ALA 88 N 1.68 -2.43 0.10 1.58 0.00 -1.26 -5.19 121.76 116.24 2e0g s ALA 88 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 51.96 51.67 2e0g s ALA 88 Cb -0.02 0.90 0.08 0.00 0.00 0.00 0.00 23.12 24.08 2e0g s ALA 88 CO -0.14 -1.15 0.82 0.00 0.00 0.00 0.00 175.76 175.29 2e0g s ALA 89 N -2.03 -1.66 0.01 0.00 0.00 -1.26 -5.18 121.76 111.63 2e0g s ALA 89 Ca 0.29 0.53 -0.10 0.00 0.00 0.00 0.00 51.96 52.68 2e0g s ALA 89 Cb -0.01 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.75 2e0g s ALA 89 CO -0.00 -0.83 0.21 0.54 0.00 0.00 0.00 175.76 175.67 2e0g s VAL 90 N -3.40 0.08 -0.26 0.00 0.11 -1.26 -5.17 120.40 110.51 2e0g s VAL 90 Ca 0.06 -0.68 -0.28 0.00 -2.93 0.00 0.00 61.98 58.15 2e0g s VAL 90 Cb -0.02 -0.62 0.17 0.00 -1.53 0.00 0.00 36.38 34.38 2e0g s VAL 90 CO -0.06 -0.38 1.24 0.28 -3.33 0.00 0.00 175.10 172.86 2e0g s THR 91 N -1.70 0.00 -0.06 5.04 -1.32 -1.26 -5.19 115.64 111.14 2e0g s THR 91 Ca -0.12 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.06 2e0g s THR 91 Cb -0.05 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.05 2e0g s THR 91 CO 0.01 0.00 1.36 -0.44 -2.21 0.00 0.00 174.62 173.33 2e0g s SER 92 N -0.59 -0.01 -0.30 8.08 0.01 -1.26 -5.18 113.70 114.46 2e0g s SER 92 Ca 0.05 -0.08 -0.17 0.00 1.31 0.00 0.00 55.95 57.06 2e0g s SER 92 Cb -0.02 0.07 0.21 0.00 0.21 0.00 0.00 66.02 66.48 2e0g s SER 92 CO -0.07 -0.13 1.30 0.54 0.41 0.00 0.00 173.24 175.29 2e0g s ASN 93 N -3.52 -0.04 0.03 2.44 2.20 -1.26 -5.18 114.94 109.60 2e0g s ASN 93 Ca 0.24 0.07 0.00 0.00 -0.94 0.00 0.00 52.86 52.23 2e0g s ASN 93 Cb 0.03 0.87 -0.02 0.00 -2.00 0.00 0.00 41.25 40.12 2e0g s ASN 93 CO -0.03 -0.01 -0.04 0.54 -2.94 0.00 0.00 177.10 174.62 2e0g s VAL 94 N 0.87 0.21 -0.30 3.54 0.11 -1.26 -5.15 120.40 118.43 2e0g s VAL 94 Ca -0.06 -1.09 -0.17 0.00 -2.93 0.00 0.00 61.98 57.73 2e0g s VAL 94 Cb -0.03 -0.52 0.19 0.00 -1.53 0.00 0.00 36.38 34.49 2e0g s VAL 94 CO -0.11 -0.56 1.19 0.00 -3.33 0.00 0.00 175.10 172.30 2e0g s ALA 95 N -1.83 -2.94 -0.37 1.54 0.00 -1.26 -5.11 121.76 111.79 2e0g s ALA 95 Ca -0.11 1.92 -0.02 0.00 0.00 0.00 0.00 51.96 53.75 2e0g s ALA 95 Cb -0.07 -2.13 0.24 0.00 0.00 0.00 0.00 23.12 21.17 2e0g s ALA 95 CO -0.02 -0.78 1.11 0.00 0.00 0.00 0.00 175.76 176.07 2e0g n ALA 96 N 4.27 -3.20 -1.05 0.00 0.00 -1.26 -5.17 120.51 114.10 2e0g n ALA 96 Ca -0.10 -0.41 -0.14 0.00 0.00 0.00 0.00 53.44 52.79 2e0g n ALA 96 Cb 0.55 -2.85 0.18 0.00 0.00 0.00 0.00 19.45 17.34 2e0g n ALA 96 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2e0g n PRO 97 N 1.97 -2.59 -3.96 0.00 -0.04 -1.26 -5.09 135.00 124.03 2e0g n PRO 97 Ca 0.07 -1.29 0.03 0.00 -0.04 0.00 0.00 63.50 62.27 2e0g n PRO 97 Cb 0.67 -1.21 0.01 0.00 -0.04 0.00 0.00 33.50 32.93 2e0g n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2e0g s ALA 98 N -3.01 -2.51 -0.07 0.55 0.00 -1.26 -5.19 121.76 110.26 2e0g s ALA 98 Ca 0.52 0.12 -0.32 0.00 0.00 0.00 0.00 51.96 52.28 2e0g s ALA 98 Cb -0.05 0.86 0.12 0.00 0.00 0.00 0.00 23.12 24.05 2e0g s ALA 98 CO 0.40 -1.15 1.10 -1.14 0.00 0.00 0.00 175.76 174.98 2e0g s GLN 99 N -2.04 0.56 -0.24 0.00 2.00 -1.26 -5.19 119.66 113.48 2e0g s GLN 99 Ca 0.29 -0.24 -0.29 0.00 -2.00 0.00 0.00 55.36 53.11 2e0g s GLN 99 Cb 0.00 0.24 0.17 0.00 0.80 0.00 0.00 33.01 34.22 2e0g s GLN 99 CO -0.01 -0.25 1.24 0.54 -0.50 0.00 0.00 175.29 176.31 2e0g s VAL 100 N -2.71 0.00 0.23 1.34 0.11 -1.26 -5.19 120.40 112.92 2e0g s VAL 100 Ca 0.09 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 58.93 2e0g s VAL 100 Cb -0.00 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.89 2e0g s VAL 100 CO -0.05 0.00 0.65 0.00 -3.33 0.00 0.00 175.10 172.37 2e0g s ALA 101 N -1.05 -1.31 -0.11 1.54 0.00 -1.26 -5.19 121.76 114.39 2e0g s ALA 101 Ca 0.05 -0.02 -0.33 0.00 0.00 0.00 0.00 51.96 51.67 2e0g s ALA 101 Cb -0.01 0.87 0.13 0.00 0.00 0.00 0.00 23.12 24.11 2e0g s ALA 101 CO -0.05 -0.91 1.18 -1.14 0.00 0.00 0.00 175.76 174.84 2e0g s GLN 102 N -3.85 0.42 -0.06 0.00 -0.44 -1.26 -5.19 119.66 109.29 2e0g s GLN 102 Ca 0.07 -0.18 -0.24 0.00 -2.50 0.00 0.00 55.36 52.51 2e0g s GLN 102 Cb -0.03 0.18 0.05 0.00 -1.64 0.00 0.00 33.01 31.56 2e0g s GLN 102 CO -0.01 -0.19 0.54 -0.08 0.50 0.00 0.00 175.29 176.05 2e0g s THR 103 N -2.53 0.02 -0.37 -0.34 -1.32 -1.26 -5.10 115.64 104.74 2e0g s THR 103 Ca 0.10 -0.16 -0.01 0.00 -1.21 0.00 0.00 61.69 60.41 2e0g s THR 103 Cb 0.00 -0.85 0.26 0.00 -1.51 0.00 0.00 72.50 70.40 2e0g s THR 103 CO -0.05 -0.09 1.14 1.67 -2.21 0.00 0.00 174.62 175.08 2e0g n GLN 104 N 1.25 0.24 -0.07 7.08 7.27 -1.26 -5.04 117.38 126.86 2e0g n GLN 104 Ca -0.19 -0.93 -0.13 0.00 0.07 0.00 0.00 57.00 55.82 2e0g n GLN 104 Cb 0.57 -0.42 -0.06 0.00 2.41 0.00 0.00 30.24 32.74 2e0g n GLN 104 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 2e0g h PRO 105 N 3.53 0.52 -3.13 3.69 0.13 -2.10 -3.49 132.00 131.14 2e0g h PRO 105 Ca -0.17 -0.27 0.34 0.00 -0.87 0.00 0.00 66.00 65.02 2e0g h PRO 105 Cb 1.17 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 2e0g h PRO 105 CO -0.09 0.85 -0.91 1.04 -0.23 0.00 0.00 178.00 178.66 2e0g n GLN 106 N -4.42 -2.93 0.00 0.86 6.02 -1.26 -5.39 117.38 110.25 2e0g n GLN 106 Ca -0.05 2.24 0.00 0.00 -0.01 0.00 0.00 57.00 59.18 2e0g n GLN 106 Cb 0.41 -3.48 0.00 0.00 1.02 0.00 0.00 30.24 28.19 2e0g n GLN 106 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94