#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 0.43 1.30 -3.43 1.02 -1.26 -5.09 118.68 111.66 2e0g s LEU 2 Ca 0.00 -1.88 -0.18 0.00 0.02 0.00 0.00 54.13 52.09 2e0g s LEU 2 Cb 0.00 0.10 0.32 0.00 0.02 0.00 0.00 46.19 46.63 2e0g s LEU 2 CO 0.00 -0.28 0.86 -0.24 0.02 0.00 0.00 176.35 176.71 2e0g n SER 3 N 4.14 -2.88 0.12 2.29 2.88 -1.26 -4.55 113.62 114.37 2e0g n SER 3 Ca 0.12 -0.47 -0.16 0.00 -1.33 0.00 0.00 58.87 57.02 2e0g n SER 3 Cb 0.41 -1.11 -0.09 0.00 -0.75 0.00 0.00 64.21 62.66 2e0g n SER 3 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2e0g h LEU 4 N -3.07 -1.52 -0.33 2.46 7.12 -2.01 -1.54 115.31 116.42 2e0g h LEU 4 Ca -0.53 0.16 0.06 0.00 0.13 0.00 0.00 57.88 57.70 2e0g h LEU 4 Cb 1.32 0.56 -0.08 0.00 -0.53 0.00 0.00 40.66 41.92 2e0g h LEU 4 CO 0.38 -0.56 -0.43 -0.25 -0.13 0.00 0.00 178.44 177.46 2e0g h TRP 5 N -0.75 -1.23 -0.63 1.25 7.01 -1.97 -0.55 115.95 119.07 2e0g h TRP 5 Ca -0.00 0.06 0.12 0.00 2.11 0.00 0.00 58.89 61.18 2e0g h TRP 5 Cb 0.76 0.59 -0.12 0.00 -2.10 0.00 0.00 29.16 28.28 2e0g h TRP 5 CO -0.43 -0.45 -0.27 1.96 -2.79 0.00 0.00 178.44 176.46 2e0g h GLN 6 N -0.37 -0.10 -0.21 2.65 4.20 -1.81 -0.21 115.11 119.27 2e0g h GLN 6 Ca 0.12 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.88 2e0g h GLN 6 Cb 0.59 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 2e0g h GLN 6 CO -0.52 -0.06 -0.04 1.96 -0.67 0.00 0.00 178.83 179.49 2e0g h GLN 7 N -0.10 0.01 -0.83 1.46 4.20 -0.24 -0.80 115.11 118.80 2e0g h GLN 7 Ca 0.27 -0.00 0.18 0.00 0.06 0.00 0.00 58.65 59.16 2e0g h GLN 7 Cb 0.54 -0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.20 2e0g h GLN 7 CO -0.70 0.01 0.35 0.00 -0.67 0.00 0.00 178.83 177.82 2e0g h LEU 9 N 0.43 -0.54 -1.10 0.00 3.38 -0.58 -1.79 115.31 115.11 2e0g h LEU 9 Ca 0.49 -0.07 0.20 0.00 0.09 0.00 0.00 57.88 58.58 2e0g h LEU 9 Cb 0.83 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.63 2e0g h LEU 9 CO -0.47 -0.15 0.61 0.00 0.09 0.00 0.00 178.44 178.52 2e0g h ALA 10 N -0.80 1.78 -0.51 1.53 0.00 -0.64 0.33 119.26 120.95 2e0g h ALA 10 Ca -0.07 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2e0g h ALA 10 Cb 0.58 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2e0g h ALA 10 CO 0.11 -0.14 -0.12 -0.09 0.00 0.00 0.00 179.25 179.00 2e0g h ARG 11 N 0.70 0.98 0.00 0.00 1.12 -0.44 0.37 114.38 117.10 2e0g h ARG 11 Ca 0.57 -0.37 -0.12 0.00 -1.11 0.00 0.00 59.98 58.95 2e0g h ARG 11 Cb 0.97 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.86 2e0g h ARG 11 CO -0.35 1.05 -0.56 1.25 -3.11 0.00 0.00 179.97 178.25 2e0g h LEU 12 N 0.85 0.00 0.00 3.80 6.46 -0.02 -0.85 115.31 125.54 2e0g h LEU 12 Ca 0.13 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 2e0g h LEU 12 Cb 0.68 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.61 2e0g h LEU 12 CO 0.05 0.56 -0.77 -0.61 -0.62 0.00 0.00 178.44 177.04 2e0g h GLN 13 N 0.00 0.00 0.12 1.25 5.75 -0.24 -3.32 115.11 118.67 2e0g h GLN 13 Ca -0.01 0.00 -0.36 0.00 -0.15 0.00 0.00 58.65 58.14 2e0g h GLN 13 Cb 1.07 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.60 2e0g h GLN 13 CO 0.07 0.00 -1.96 -3.47 -2.65 0.00 0.00 178.83 170.82 2e0g n ASP 14 N -2.30 2.04 -0.11 -0.69 2.03 0.13 -4.13 116.55 113.52 2e0g n ASP 14 Ca 0.02 0.23 0.02 0.00 0.52 0.00 0.00 54.79 55.58 2e0g n ASP 14 Cb 0.48 -0.81 0.32 0.00 -0.72 0.00 0.00 41.12 40.38 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 0.07 0.76 -1.14 -0.67 4.22 -1.30 -3.46 114.58 113.06 2e0g h GLU 15 Ca -0.41 -0.06 0.29 0.00 0.08 0.00 0.00 59.36 59.27 2e0g h GLU 15 Cb 2.04 -0.17 -0.22 0.00 0.50 0.00 0.00 28.75 30.90 2e0g h GLU 15 CO 0.09 0.53 0.94 -0.48 -2.18 0.00 0.00 179.01 177.91 2e0g s LEU 16 N -9.63 -0.05 -0.56 1.64 2.34 -1.25 -5.11 118.68 106.07 2e0g s LEU 16 Ca -0.10 0.01 -0.27 0.00 0.06 0.00 0.00 54.13 53.84 2e0g s LEU 16 Cb 0.17 1.12 -0.02 0.00 -0.56 0.00 0.00 46.19 46.91 2e0g s LEU 16 CO 0.76 -0.07 1.83 -2.16 -1.06 0.00 0.00 176.35 175.65 2e0g s PRO 17 N -1.87 2.78 -0.38 1.48 0.04 -1.26 -4.36 135.00 131.42 2e0g s PRO 17 Ca 0.11 0.74 0.02 0.00 0.04 0.00 0.00 61.00 61.91 2e0g s PRO 17 Cb -0.01 -4.34 0.16 0.00 0.04 0.00 0.00 34.50 30.34 2e0g s PRO 17 CO -0.04 -2.55 0.29 0.00 0.04 0.00 0.00 177.00 174.74 2e0g s ALA 18 N 8.58 0.93 -0.37 8.56 0.00 -1.26 -4.96 121.76 133.24 2e0g s ALA 18 Ca 0.69 -2.00 0.19 0.00 0.00 0.00 0.00 51.96 50.84 2e0g s ALA 18 Cb -0.14 -1.66 0.98 0.00 0.00 0.00 0.00 23.12 22.30 2e0g s ALA 18 CO 0.23 -2.06 1.59 2.41 0.00 0.00 0.00 175.76 177.93 2e0g n THR 19 N 3.52 1.12 -0.07 0.00 -1.04 -1.26 -3.29 114.28 113.26 2e0g n THR 19 Ca 0.20 0.61 -0.07 0.00 -2.04 0.00 0.00 64.05 62.74 2e0g n THR 19 Cb 0.43 -1.59 -0.05 0.00 -1.82 0.00 0.00 70.33 67.30 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 -0.20 -0.78 -2.82 4.39 -2.00 0.18 114.58 113.34 2e0g h GLU 20 Ca 0.00 0.01 0.20 0.00 0.34 0.00 0.00 59.36 59.91 2e0g h GLU 20 Cb 0.07 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 2e0g h GLU 20 CO 0.00 -0.13 0.54 0.27 -1.16 0.00 0.00 179.01 178.53 2e0g h PHE 21 N -0.21 0.23 0.00 4.33 -5.15 -1.92 0.60 116.94 114.82 2e0g h PHE 21 Ca 0.04 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.81 2e0g h PHE 21 Cb 0.31 -0.07 0.00 0.00 0.22 0.00 0.00 35.95 36.41 2e0g h PHE 21 CO -0.66 0.07 0.00 1.03 -2.00 0.00 0.00 178.31 176.75 2e0g h SER 22 N 0.18 0.00 0.00 -0.68 0.87 -0.83 -1.25 113.55 111.84 2e0g h SER 22 Ca 0.39 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.71 2e0g h SER 22 Cb 1.24 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.16 2e0g h SER 22 CO -0.07 0.00 -1.96 0.23 -0.53 0.00 0.00 176.83 174.50 2e0g n MET 23 N -2.34 1.52 -1.12 2.24 2.81 0.20 -3.69 117.12 116.75 2e0g n MET 23 Ca 0.00 -0.02 -0.16 0.00 -1.81 0.00 0.00 57.70 55.71 2e0g n MET 23 Cb 0.14 -1.37 0.23 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 -2.48 2.68 0.00 2.03 7.02 -0.56 -4.39 117.44 121.73 2e0g n TRP 24 Ca -0.21 -1.59 0.00 0.00 -1.02 0.00 0.00 57.50 54.68 2e0g n TRP 24 Cb 0.91 -0.82 0.00 0.00 -2.42 0.00 0.00 31.31 28.98 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 -0.79 0.00 0.02 -0.99 2.08 -0.51 -4.80 119.36 114.36 2e0g n ILE 25 Ca 0.51 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.68 2e0g n ILE 25 Cb 1.52 -0.00 -0.07 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 3.08 -1.71 0.52 114.38 116.12 2e0g h ARG 26 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2e0g h ARG 26 Cb 0.00 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2e0g h ARG 26 CO 0.00 -0.35 0.00 -0.35 -1.07 0.00 0.00 179.97 178.20 2e0g n PRO 27 N -5.44 0.02 -2.50 0.04 -0.04 -1.26 -4.76 135.00 121.04 2e0g n PRO 27 Ca -0.05 0.27 -0.26 0.00 -0.04 0.00 0.00 63.50 63.41 2e0g n PRO 27 Cb 0.37 -1.53 0.02 0.00 -0.04 0.00 0.00 33.50 32.32 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 -3.13 3.37 -0.26 1.53 1.43 0.17 -4.87 118.68 116.92 2e0g s LEU 28 Ca 0.07 0.73 0.02 0.00 -1.03 0.00 0.00 54.13 53.92 2e0g s LEU 28 Cb 0.09 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.78 2e0g s LEU 28 CO 0.27 -0.91 -0.06 -1.58 0.23 0.00 0.00 176.35 174.30 2e0g s GLN 29 N -4.89 1.81 0.16 1.70 -0.44 -0.41 -4.91 119.66 112.67 2e0g s GLN 29 Ca 0.52 -1.21 -0.23 0.00 -2.50 0.00 0.00 55.36 51.94 2e0g s GLN 29 Cb -0.10 -2.74 -0.08 0.00 -1.64 0.00 0.00 33.01 28.45 2e0g s GLN 29 CO 0.44 -0.63 0.73 0.00 0.50 0.00 0.00 175.29 176.33 2e0g s ALA 30 N 1.25 3.47 -0.10 1.58 0.00 -1.26 0.00 121.76 126.70 2e0g s ALA 30 Ca -0.05 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2e0g s ALA 30 Cb -0.19 -2.88 0.02 0.00 0.00 0.00 0.00 23.12 20.07 2e0g s ALA 30 CO -0.07 0.32 -0.08 -2.00 0.00 0.00 0.00 175.76 173.94 2e0g s GLU 31 N -1.30 1.43 -0.13 0.00 2.12 0.13 -4.96 118.70 115.99 2e0g s GLU 31 Ca 0.36 -0.24 -0.28 0.00 0.36 0.00 0.00 54.97 55.17 2e0g s GLU 31 Cb -0.21 -1.44 -0.01 0.00 0.26 0.00 0.00 34.13 32.72 2e0g s GLU 31 CO 0.24 -0.20 0.94 -0.51 -0.54 0.00 0.00 175.26 175.19 2e0g s LEU 32 N 1.48 4.22 -0.35 2.70 1.43 -1.26 -1.43 118.68 125.47 2e0g s LEU 32 Ca 0.00 1.40 0.09 0.00 -1.03 0.00 0.00 54.13 54.58 2e0g s LEU 32 Cb -0.13 -3.43 0.72 0.00 0.03 0.00 0.00 46.19 43.37 2e0g s LEU 32 CO -0.05 -0.43 1.81 -0.24 0.23 0.00 0.00 176.35 177.67 2e0g n SER 33 N 5.09 4.47 0.00 2.29 2.88 0.75 -4.87 113.62 124.24 2e0g n SER 33 Ca 0.07 -3.34 0.00 0.00 -1.33 0.00 0.00 58.87 54.27 2e0g n SER 33 Cb 0.49 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 2e0g n SER 33 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2e0g n ASP 34 N -0.44 0.00 -0.08 -3.46 8.00 -1.26 -4.27 116.55 115.04 2e0g n ASP 34 Ca 0.45 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.95 2e0g n ASP 34 Cb 1.43 -0.50 -0.00 0.00 -0.02 0.00 0.00 41.12 42.04 2e0g n ASP 34 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2e0g n ASN 35 N 0.00 -0.00 -3.63 -2.24 4.13 -1.26 -5.02 115.26 107.24 2e0g n ASN 35 Ca 0.00 -0.15 -0.04 0.00 1.68 0.00 0.00 54.58 56.07 2e0g n ASN 35 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 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 -0.39 -0.54 3.41 2.01 -1.26 -1.75 115.64 117.12 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 0.59 -0.22 -0.69 0.00 0.00 174.62 174.30 2e0g s LEU 37 N 2.12 5.58 -0.05 4.42 0.20 0.95 -0.18 118.68 131.73 2e0g s LEU 37 Ca -0.08 -1.43 -0.15 0.00 0.69 0.00 0.00 54.13 53.16 2e0g s LEU 37 Cb -0.07 -2.28 -0.05 0.00 -0.43 0.00 0.00 46.19 43.35 2e0g s LEU 37 CO -0.19 -0.93 0.40 0.00 -0.29 0.00 0.00 176.35 175.33 2e0g s ALA 38 N 2.21 3.65 -0.17 5.97 0.00 -0.51 0.19 121.76 133.09 2e0g s ALA 38 Ca 0.09 -0.26 -0.06 0.00 0.00 0.00 0.00 51.96 51.72 2e0g s ALA 38 Cb -0.25 -2.42 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 2e0g s ALA 38 CO 0.06 0.35 0.05 -0.51 0.00 0.00 0.00 175.76 175.71 2e0g s LEU 39 N -0.56 3.75 -0.40 0.00 2.01 0.12 0.22 118.68 123.81 2e0g s LEU 39 Ca 0.23 0.07 -0.08 0.00 0.01 0.00 0.00 54.13 54.36 2e0g s LEU 39 Cb -0.16 -1.93 0.07 0.00 0.01 0.00 0.00 46.19 44.18 2e0g s LEU 39 CO 0.11 0.20 0.22 -0.31 1.01 0.00 0.00 176.35 177.59 2e0g s TYR 40 N 0.21 3.35 0.30 0.29 2.02 0.10 -0.46 117.35 123.16 2e0g s TYR 40 Ca 0.03 -1.60 0.08 0.00 -0.37 0.00 0.00 57.07 55.20 2e0g s TYR 40 Cb -0.12 -2.86 -0.03 0.00 -0.40 0.00 0.00 41.96 38.54 2e0g s TYR 40 CO 0.01 -0.84 0.21 0.00 -1.57 0.00 0.00 175.55 173.36 2e0g s ALA 41 N 1.39 3.64 -0.68 3.71 0.00 -0.34 -1.29 121.76 128.20 2e0g s ALA 41 Ca 0.03 -1.59 0.20 0.00 0.00 0.00 0.00 51.96 50.60 2e0g s ALA 41 Cb -0.22 -1.13 0.84 0.00 0.00 0.00 0.00 23.12 22.60 2e0g s ALA 41 CO 0.02 0.13 1.61 -0.35 0.00 0.00 0.00 175.76 177.16 2e0g n PRO 42 N -1.23 0.12 -3.64 0.00 -0.04 -1.26 0.64 135.00 129.59 2e0g n PRO 42 Ca -0.05 0.36 -0.10 0.00 -0.04 0.00 0.00 63.50 63.67 2e0g n PRO 42 Cb 0.59 -1.73 0.01 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.95 -1.86 0.03 3.54 6.94 -1.26 -4.79 115.26 115.90 2e0g n ASN 43 Ca 0.03 -2.56 -0.08 0.00 -0.02 0.00 0.00 54.58 51.94 2e0g n ASN 43 Cb 0.20 3.18 -0.13 0.00 -2.36 0.00 0.00 39.78 40.68 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 0.02 -0.26 -3.83 3.08 -1.93 -3.35 114.38 108.11 2e0g h ARG 44 Ca -0.29 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 59.78 2e0g h ARG 44 Cb 1.13 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 31.12 2e0g h ARG 44 CO 0.38 0.82 -0.39 0.74 -1.07 0.00 0.00 179.97 180.45 2e0g h PHE 45 N 0.01 -1.12 -0.46 3.04 -1.00 -1.99 -1.34 116.94 114.07 2e0g h PHE 45 Ca -0.13 0.05 0.08 0.00 2.81 0.00 0.00 57.97 60.79 2e0g h PHE 45 Cb 1.88 0.53 -0.07 0.00 3.61 0.00 0.00 35.95 41.90 2e0g h PHE 45 CO 0.00 -0.44 0.08 0.28 -1.61 0.00 0.00 178.31 176.62 2e0g h VAL 46 N -0.39 0.73 -0.07 -0.55 2.07 -2.00 -2.00 116.25 114.05 2e0g h VAL 46 Ca 0.11 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.60 2e0g h VAL 46 Cb 0.59 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 2e0g h VAL 46 CO -0.47 0.04 -0.44 -0.07 0.02 0.00 0.00 177.57 176.64 2e0g h LEU 47 N 0.21 -1.37 -0.61 2.57 3.38 -1.42 0.27 115.31 118.33 2e0g h LEU 47 Ca 0.23 0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.49 2e0g h LEU 47 Cb 0.30 0.54 -0.09 0.00 0.09 0.00 0.00 40.66 41.51 2e0g h LEU 47 CO -0.31 -0.45 0.12 -0.78 0.09 0.00 0.00 178.44 177.10 2e0g h ASP 48 N -0.55 -0.03 0.55 -0.43 1.82 -0.91 0.17 116.42 117.04 2e0g h ASP 48 Ca 0.06 0.12 -0.03 0.00 -0.39 0.00 0.00 57.03 56.79 2e0g h ASP 48 Cb 0.65 0.17 0.01 0.00 0.68 0.00 0.00 39.33 40.84 2e0g h ASP 48 CO -0.37 -0.01 -0.26 -0.25 -1.61 0.00 0.00 179.24 176.74 2e0g h TRP 49 N 0.24 -0.69 -0.46 0.28 2.91 -0.58 -1.87 115.95 115.79 2e0g h TRP 49 Ca 0.33 -0.02 0.08 0.00 1.13 0.00 0.00 58.89 60.41 2e0g h TRP 49 Cb 0.50 0.23 -0.07 0.00 -0.51 0.00 0.00 29.16 29.31 2e0g h TRP 49 CO -0.26 -0.41 0.08 0.28 -1.03 0.00 0.00 178.44 177.09 2e0g h VAL 50 N -0.77 0.73 0.00 2.65 2.07 0.05 0.25 116.25 121.24 2e0g h VAL 50 Ca -0.08 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2e0g h VAL 50 Cb 0.58 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2e0g h VAL 50 CO 0.12 0.04 0.00 -1.14 0.02 0.00 0.00 177.57 176.61 2e0g n ARG 51 N -5.12 0.14 -0.05 1.57 0.63 0.55 0.08 116.66 114.45 2e0g n ARG 51 Ca 0.04 0.54 -0.12 0.00 -0.92 0.00 0.00 57.85 57.39 2e0g n ARG 51 Cb 0.22 -1.87 -0.11 0.00 0.45 0.00 0.00 32.46 31.16 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 -0.02 0.00 6.15 3.58 0.35 -3.35 116.42 123.14 2e0g h ASP 52 Ca 0.00 -0.78 0.00 0.00 0.42 0.00 0.00 57.03 56.67 2e0g h ASP 52 Cb 0.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2e0g h ASP 52 CO 0.00 0.83 -0.72 2.29 -2.88 0.00 0.00 179.24 178.76 2e0g n LYS 53 N -4.69 0.38 -0.37 0.28 0.00 -1.03 -4.37 118.16 108.37 2e0g n LYS 53 Ca -0.09 0.15 -0.00 0.00 -0.00 0.00 0.00 58.31 58.37 2e0g n LYS 53 Cb 0.39 -1.16 0.05 0.00 -0.00 0.00 0.00 35.03 34.31 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 -0.72 -1.01 -0.21 5.58 3.20 -0.59 -1.05 116.97 122.17 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 0.72 0.59 -0.04 0.00 1.54 0.00 0.00 36.73 39.53 2e0g h TYR 54 CO -0.31 -0.41 -0.25 1.25 -1.64 0.00 0.00 178.16 176.80 2e0g h LEU 55 N -0.01 -0.85 -0.97 2.82 5.85 -1.57 0.15 115.31 120.73 2e0g h LEU 55 Ca 0.36 0.11 0.16 0.00 0.84 0.00 0.00 57.88 59.35 2e0g h LEU 55 Cb 0.61 0.35 -0.16 0.00 0.37 0.00 0.00 40.66 41.83 2e0g h LEU 55 CO -0.98 -0.17 -0.36 0.78 -0.34 0.00 0.00 178.44 177.37 2e0g h ASN 56 N -0.16 -1.31 0.70 1.25 -0.26 -1.40 0.38 115.58 114.77 2e0g h ASN 56 Ca 0.04 0.30 -0.03 0.00 -0.56 0.00 0.00 56.30 56.05 2e0g h ASN 56 Cb 0.26 0.71 -0.01 0.00 -1.06 0.00 0.00 38.32 38.22 2e0g h ASN 56 CO -0.28 -0.30 -0.50 0.78 -1.06 0.00 0.00 177.43 176.07 2e0g h ASN 57 N -0.01 -1.32 -0.31 5.81 2.35 -0.83 -1.89 115.58 119.39 2e0g h ASN 57 Ca 0.37 0.09 0.07 0.00 -0.55 0.00 0.00 56.30 56.27 2e0g h ASN 57 Cb 0.62 0.40 -0.08 0.00 0.05 0.00 0.00 38.32 39.31 2e0g h ASN 57 CO -0.98 -0.73 -0.31 0.40 -1.65 0.00 0.00 177.43 174.16 2e0g h ILE 58 N -1.15 0.27 -0.44 2.81 1.08 0.84 -1.90 117.51 119.01 2e0g h ILE 58 Ca -0.09 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.45 2e0g h ILE 58 Cb 0.95 0.27 -0.09 0.00 -3.07 0.00 0.00 36.82 34.87 2e0g h ILE 58 CO 0.04 0.00 -0.44 0.78 -0.69 0.00 0.00 178.15 177.84 2e0g h ASN 59 N -0.28 -1.49 -0.94 1.72 -0.26 -0.21 0.34 115.58 114.46 2e0g h ASN 59 Ca 0.15 0.23 0.19 0.00 -0.56 0.00 0.00 56.30 56.30 2e0g h ASN 59 Cb 0.53 0.65 -0.08 0.00 -1.06 0.00 0.00 38.32 38.35 2e0g h ASN 59 CO -0.47 -0.37 0.60 1.23 -1.06 0.00 0.00 177.43 177.37 2e0g h GLY 60 N -0.31 1.26 0.40 2.83 0.00 -0.71 -1.70 103.07 104.84 2e0g h GLY 60 Ca 0.14 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 2e0g h GLY 60 CO -0.60 -0.00 -0.01 -2.00 0.00 0.00 0.00 176.54 173.93 2e0g h LEU 61 N 0.59 0.02 -0.50 3.11 6.46 -0.00 -1.89 115.31 123.10 2e0g h LEU 61 Ca 0.51 -0.61 0.10 0.00 -0.12 0.00 0.00 57.88 57.76 2e0g h LEU 61 Cb 0.99 -0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 40.82 2e0g h LEU 61 CO -0.25 0.62 -0.17 -0.07 -0.62 0.00 0.00 178.44 177.95 2e0g h LEU 62 N -0.59 -0.60 -0.20 2.25 3.38 0.29 0.74 115.31 120.59 2e0g h LEU 62 Ca -0.00 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2e0g h LEU 62 Cb 0.62 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2e0g h LEU 62 CO 0.00 -0.20 0.03 0.74 0.09 0.00 0.00 178.44 179.10 2e0g h THR 63 N -0.05 1.23 0.00 0.22 2.02 -1.41 -1.73 112.91 113.19 2e0g h THR 63 Ca 0.24 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 2e0g h THR 63 Cb 0.42 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2e0g h THR 63 CO -0.55 0.23 -0.02 -1.28 0.37 0.00 0.00 175.52 174.27 2e0g h SER 64 N 0.13 0.00 0.11 4.18 0.87 -0.46 0.26 113.55 118.64 2e0g h SER 64 Ca 0.06 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.48 2e0g h SER 64 Cb 0.32 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.29 2e0g h SER 64 CO 0.00 0.02 -0.63 0.15 -0.53 0.00 0.00 176.83 175.84 2e0g h PHE 65 N 0.00 0.41 0.00 2.24 3.57 0.90 -3.45 116.94 120.61 2e0g h PHE 65 Ca -0.00 -0.30 0.00 0.00 3.53 0.00 0.00 57.97 61.20 2e0g h PHE 65 Cb 0.26 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2e0g h PHE 65 CO 0.00 1.24 -0.23 0.00 -2.23 0.00 0.00 178.31 177.09 2e0g n GLY 67 N 1.86 -1.26 3.40 0.00 0.00 0.89 -4.63 105.19 105.46 2e0g n GLY 67 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -4.70 120.51 119.37 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 -0.24 -0.05 0.00 0.00 0.00 0.00 19.45 19.15 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 3.45 -4.71 0.00 -0.08 -1.26 -5.04 116.55 108.92 2e0g n ASP 69 Ca 0.00 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.98 2e0g n ASP 69 Cb 0.00 1.23 0.14 0.00 2.34 0.00 0.00 41.12 44.83 2e0g n ASP 69 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2e0g s ALA 70 N -2.43 1.48 1.20 -1.67 0.00 -1.26 -5.02 121.76 114.05 2e0g s ALA 70 Ca -0.03 -0.02 -0.16 0.00 0.00 0.00 0.00 51.96 51.75 2e0g s ALA 70 Cb 0.04 -3.21 0.24 0.00 0.00 0.00 0.00 23.12 20.19 2e0g s ALA 70 CO 0.28 -2.42 0.86 -0.35 0.00 0.00 0.00 175.76 174.13 2e0g n PRO 71 N -3.93 -2.70 -4.73 0.00 -0.04 -1.26 -5.00 135.00 117.34 2e0g n PRO 71 Ca 0.07 -1.38 -0.32 0.00 -0.04 0.00 0.00 63.50 61.83 2e0g n PRO 71 Cb 0.55 -1.29 -0.08 0.00 -0.04 0.00 0.00 33.50 32.64 2e0g n PRO 71 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2e0g s GLN 72 N -4.96 2.15 0.02 0.54 -2.07 -0.72 -4.93 119.66 109.70 2e0g s GLN 72 Ca 0.56 -2.36 0.03 0.00 -1.82 0.00 0.00 55.36 51.76 2e0g s GLN 72 Cb -0.05 -1.45 -0.04 0.00 -1.09 0.00 0.00 33.01 30.38 2e0g s GLN 72 CO 0.43 -0.35 -0.03 -0.51 -1.32 0.00 0.00 175.29 173.51 2e0g s LEU 73 N -3.84 3.37 0.09 2.60 1.43 -1.26 -0.03 118.68 121.04 2e0g s LEU 73 Ca 0.09 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.12 2e0g s LEU 73 Cb 0.02 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 2e0g s LEU 73 CO 0.05 0.26 -0.08 -0.13 0.23 0.00 0.00 176.35 176.69 2e0g s ARG 74 N -1.64 0.81 -0.01 1.70 0.52 0.13 -4.85 118.95 115.61 2e0g s ARG 74 Ca 0.20 -1.24 -0.04 0.00 -0.52 0.00 0.00 55.73 54.13 2e0g s ARG 74 Cb -0.11 -0.30 -0.00 0.00 0.52 0.00 0.00 34.95 35.06 2e0g s ARG 74 CO 0.11 0.01 0.07 -0.06 0.02 0.00 0.00 175.30 175.45 2e0g s PHE 75 N -3.13 0.05 0.10 -0.53 0.40 -1.26 0.16 117.98 113.77 2e0g s PHE 75 Ca 0.08 -0.10 -0.25 0.00 -0.60 0.00 0.00 56.93 56.06 2e0g s PHE 75 Cb 0.02 -0.06 0.08 0.00 0.51 0.00 0.00 43.02 43.57 2e0g s PHE 75 CO -0.03 -0.16 0.78 -2.00 0.70 0.00 0.00 175.22 174.50 2e0g s GLU 76 N -0.84 1.13 -0.44 0.44 2.56 0.39 -4.85 118.70 117.09 2e0g s GLU 76 Ca -0.09 -0.48 -0.15 0.00 0.00 0.00 0.00 54.97 54.25 2e0g s GLU 76 Cb -0.05 0.48 0.05 0.00 2.00 0.00 0.00 34.13 36.61 2e0g s GLU 76 CO 0.00 -0.50 0.35 0.08 -0.56 0.00 0.00 175.26 174.63 2e0g s VAL 77 N -3.45 5.15 0.00 3.70 1.01 -1.26 -1.19 120.40 124.36 2e0g s VAL 77 Ca 0.05 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.09 2e0g s VAL 77 Cb -0.02 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.36 2e0g s VAL 77 CO -0.07 -0.47 0.00 0.61 0.00 0.00 0.00 175.10 175.16 2e0g n GLY 78 N 5.16 0.86 3.54 4.51 0.00 0.21 -4.54 105.19 114.94 2e0g n GLY 78 Ca -0.12 0.66 -0.26 0.00 0.00 0.00 0.00 46.02 46.30 2e0g n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2e0g s THR 79 N 0.00 2.06 0.80 2.61 -4.23 -1.26 -4.85 115.64 110.77 2e0g s THR 79 Ca 0.00 -2.14 -0.11 0.00 -1.18 0.00 0.00 61.69 58.26 2e0g s THR 79 Cb 0.00 -2.71 0.07 0.00 1.34 0.00 0.00 72.50 71.21 2e0g s THR 79 CO 0.00 -0.16 1.12 -0.54 -0.54 0.00 0.00 174.62 174.50 2e0g s LYS 80 N -3.66 1.95 1.01 3.99 1.02 -1.26 -5.02 119.74 117.77 2e0g s LYS 80 Ca 0.33 1.36 -0.12 0.00 0.02 0.00 0.00 55.97 57.55 2e0g s LYS 80 Cb 0.05 -1.85 0.19 0.00 -0.52 0.00 0.00 37.83 35.70 2e0g s LYS 80 CO 0.16 -1.90 1.09 -1.25 -0.92 0.00 0.00 175.35 172.53 2e0g s PRO 81 N -4.65 0.36 0.01 -1.68 0.04 -1.26 -5.09 135.00 122.74 2e0g s PRO 81 Ca 0.65 0.50 -0.02 0.00 0.04 0.00 0.00 61.00 62.17 2e0g s PRO 81 Cb -0.20 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 2e0g s PRO 81 CO 0.54 -2.78 0.02 0.08 0.04 0.00 0.00 177.00 174.90 2e0g s VAL 82 N -2.96 0.09 -0.12 -0.36 1.01 -1.26 -5.16 120.40 111.63 2e0g s VAL 82 Ca 0.65 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 2e0g s VAL 82 Cb -0.19 -0.28 0.08 0.00 0.00 0.00 0.00 36.38 35.99 2e0g s VAL 82 CO 0.58 -0.41 0.73 0.42 0.00 0.00 0.00 175.10 176.42 2e0g s THR 83 N -1.26 0.00 -0.30 3.92 -4.23 -1.26 -5.17 115.64 107.34 2e0g s THR 83 Ca -0.14 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.21 2e0g s THR 83 Cb -0.08 -1.00 0.19 0.00 1.34 0.00 0.00 72.50 72.95 2e0g s THR 83 CO -0.00 0.00 1.19 -1.58 -0.54 0.00 0.00 174.62 173.69 2e0g s GLN 84 N -0.76 0.14 -0.35 3.99 0.74 -1.26 -5.11 119.66 117.05 2e0g s GLN 84 Ca -0.07 0.24 -0.02 0.00 0.05 0.00 0.00 55.36 55.56 2e0g s GLN 84 Cb -0.01 0.03 0.26 0.00 1.10 0.00 0.00 33.01 34.39 2e0g s GLN 84 CO 0.07 -0.03 1.18 -2.37 -0.55 0.00 0.00 175.29 173.59 2e0g n THR 85 N 3.16 0.00 -1.20 -0.34 5.66 -1.26 -5.17 114.28 115.13 2e0g n THR 85 Ca -0.17 -0.72 -0.30 0.00 -3.05 0.00 0.00 64.05 59.81 2e0g n THR 85 Cb 0.57 1.09 0.14 0.00 -1.55 0.00 0.00 70.33 70.58 2e0g n THR 85 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2e0g s PRO 86 N 0.25 1.18 -0.30 1.09 0.04 -1.26 -5.08 135.00 130.93 2e0g s PRO 86 Ca 0.27 0.80 -0.23 0.00 0.04 0.00 0.00 61.00 61.87 2e0g s PRO 86 Cb 0.20 -1.80 0.19 0.00 0.04 0.00 0.00 34.50 33.13 2e0g s PRO 86 CO -0.10 -2.28 1.39 -1.14 0.04 0.00 0.00 177.00 174.90 2e0g s GLN 87 N -4.94 0.08 -0.29 4.56 0.74 -1.26 -5.18 119.66 113.37 2e0g s GLN 87 Ca 0.64 0.10 -0.26 0.00 0.05 0.00 0.00 55.36 55.89 2e0g s GLN 87 Cb -0.18 0.03 0.19 0.00 1.10 0.00 0.00 33.01 34.15 2e0g s GLN 87 CO 0.57 -0.01 1.40 0.00 -0.55 0.00 0.00 175.29 176.70 2e0g s ALA 88 N 0.23 -2.19 -0.30 1.58 0.00 -1.26 -5.16 121.76 114.65 2e0g s ALA 88 Ca 0.04 1.71 -0.17 0.00 0.00 0.00 0.00 51.96 53.55 2e0g s ALA 88 Cb -0.04 -1.72 0.18 0.00 0.00 0.00 0.00 23.12 21.54 2e0g s ALA 88 CO -0.14 -0.13 1.17 0.00 0.00 0.00 0.00 175.76 176.66 2e0g s ALA 89 N -0.10 -3.55 -0.10 0.00 0.00 -1.26 -5.17 121.76 111.57 2e0g s ALA 89 Ca 0.07 1.49 -0.12 0.00 0.00 0.00 0.00 51.96 53.40 2e0g s ALA 89 Cb -0.04 -2.48 0.03 0.00 0.00 0.00 0.00 23.12 20.63 2e0g s ALA 89 CO -0.14 -1.34 0.33 0.08 0.00 0.00 0.00 175.76 174.69 2e0g s VAL 90 N 2.74 0.01 -0.29 0.00 1.01 -1.26 -5.16 120.40 117.45 2e0g s VAL 90 Ca -0.05 -0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.65 2e0g s VAL 90 Cb -0.07 -0.49 0.18 0.00 0.00 0.00 0.00 36.38 36.00 2e0g s VAL 90 CO -0.11 -0.05 1.21 0.28 0.00 0.00 0.00 175.10 176.43 2e0g s THR 91 N -0.12 0.00 -0.30 3.92 -1.32 -1.26 -5.17 115.64 111.39 2e0g s THR 91 Ca -0.03 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.25 2e0g s THR 91 Cb -0.03 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.16 2e0g s THR 91 CO 0.01 0.00 1.35 -0.94 -2.21 0.00 0.00 174.62 172.83 2e0g s SER 92 N 0.84 -0.05 -0.30 8.08 1.04 -1.26 -5.16 113.70 116.88 2e0g s SER 92 Ca -0.04 0.09 -0.19 0.00 0.48 0.00 0.00 55.95 56.30 2e0g s SER 92 Cb -0.03 0.61 0.19 0.00 0.10 0.00 0.00 66.02 66.88 2e0g s SER 92 CO -0.12 -0.02 1.25 0.21 0.98 0.00 0.00 173.24 175.55 2e0g s ASN 93 N 0.59 -0.11 0.01 7.02 2.47 -1.26 -5.18 114.94 118.48 2e0g s ASN 93 Ca -0.01 0.14 0.02 0.00 0.42 0.00 0.00 52.86 53.42 2e0g s ASN 93 Cb -0.03 1.12 -0.01 0.00 -1.45 0.00 0.00 41.25 40.88 2e0g s ASN 93 CO -0.12 -0.02 -0.07 0.54 -3.72 0.00 0.00 177.10 173.71 2e0g s VAL 94 N 2.29 0.52 -0.29 -5.21 0.11 -1.26 -5.15 120.40 111.41 2e0g s VAL 94 Ca -0.02 -0.58 -0.27 0.00 -2.93 0.00 0.00 61.98 58.19 2e0g s VAL 94 Cb -0.03 -0.49 0.18 0.00 -1.53 0.00 0.00 36.38 34.51 2e0g s VAL 94 CO -0.14 -0.06 1.37 0.00 -3.33 0.00 0.00 175.10 172.94 2e0g s ALA 95 N -0.61 -2.16 -0.34 1.54 0.00 -1.26 -5.11 121.76 113.82 2e0g s ALA 95 Ca -0.02 1.75 -0.03 0.00 0.00 0.00 0.00 51.96 53.66 2e0g s ALA 95 Cb -0.05 -1.63 0.27 0.00 0.00 0.00 0.00 23.12 21.70 2e0g s ALA 95 CO 0.00 -0.16 1.21 0.00 0.00 0.00 0.00 175.76 176.81 2e0g n ALA 96 N 1.26 -3.53 -1.22 0.00 0.00 -1.26 -5.17 120.51 110.59 2e0g n ALA 96 Ca -0.07 -0.30 -0.30 0.00 0.00 0.00 0.00 53.44 52.77 2e0g n ALA 96 Cb 0.57 -3.18 0.12 0.00 0.00 0.00 0.00 19.45 16.97 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 0.24 1.60 -0.30 0.00 0.04 -1.26 -5.08 135.00 130.24 2e0g s PRO 97 Ca 0.26 0.94 -0.22 0.00 0.04 0.00 0.00 61.00 62.01 2e0g s PRO 97 Cb 0.20 -1.84 0.18 0.00 0.04 0.00 0.00 34.50 33.08 2e0g s PRO 97 CO -0.09 -2.04 1.31 0.00 0.04 0.00 0.00 177.00 176.22 2e0g s ALA 98 N -2.93 -2.29 -0.30 8.56 0.00 -1.26 -5.18 121.76 118.37 2e0g s ALA 98 Ca 0.63 1.81 -0.25 0.00 0.00 0.00 0.00 51.96 54.15 2e0g s ALA 98 Cb -0.18 -1.77 0.19 0.00 0.00 0.00 0.00 23.12 21.37 2e0g s ALA 98 CO 0.57 -0.18 1.46 -1.14 0.00 0.00 0.00 175.76 176.46 2e0g s GLN 99 N 0.38 0.04 -0.29 0.00 0.74 -1.26 -5.18 119.66 114.09 2e0g s GLN 99 Ca 0.02 0.05 -0.25 0.00 0.05 0.00 0.00 55.36 55.23 2e0g s GLN 99 Cb -0.04 0.02 0.17 0.00 1.10 0.00 0.00 33.01 34.26 2e0g s GLN 99 CO -0.13 -0.01 1.32 0.54 -0.55 0.00 0.00 175.29 176.46 2e0g s VAL 100 N -0.01 0.00 -0.30 1.34 0.11 -1.26 -5.17 120.40 115.11 2e0g s VAL 100 Ca 0.08 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 58.96 2e0g s VAL 100 Cb -0.05 -1.00 0.20 0.00 -1.53 0.00 0.00 36.38 34.00 2e0g s VAL 100 CO -0.16 0.00 1.24 0.00 -3.33 0.00 0.00 175.10 172.85 2e0g s ALA 101 N -0.01 -2.81 -0.30 1.54 0.00 -1.26 -5.17 121.76 113.75 2e0g s ALA 101 Ca 0.06 1.95 -0.16 0.00 0.00 0.00 0.00 51.96 53.80 2e0g s ALA 101 Cb -0.05 -2.06 0.18 0.00 0.00 0.00 0.00 23.12 21.20 2e0g s ALA 101 CO -0.12 -0.51 1.12 -1.14 0.00 0.00 0.00 175.76 175.11 2e0g s GLN 102 N 1.37 0.20 -0.30 0.00 2.00 -1.26 -5.16 119.66 116.51 2e0g s GLN 102 Ca -0.06 0.39 -0.18 0.00 -2.00 0.00 0.00 55.36 53.52 2e0g s GLN 102 Cb -0.02 0.12 0.18 0.00 0.80 0.00 0.00 33.01 34.09 2e0g s GLN 102 CO -0.12 -0.05 1.20 0.95 -0.50 0.00 0.00 175.29 176.77 2e0g s THR 103 N 1.56 -0.16 -0.36 -0.34 -4.23 -1.26 -5.10 115.64 105.75 2e0g s THR 103 Ca -0.06 0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 60.45 2e0g s THR 103 Cb -0.03 -1.00 0.28 0.00 1.34 0.00 0.00 72.50 73.08 2e0g s THR 103 CO -0.14 0.00 1.20 1.67 -0.54 0.00 0.00 174.62 176.81 2e0g n GLN 104 N 4.89 0.25 -2.26 3.99 7.27 -1.26 -5.16 117.38 125.10 2e0g n GLN 104 Ca -0.07 -0.89 -0.35 0.00 0.07 0.00 0.00 57.00 55.76 2e0g n GLN 104 Cb 0.55 -0.44 0.00 0.00 2.41 0.00 0.00 30.24 32.76 2e0g n GLN 104 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2e0g s PRO 105 N 0.20 3.35 -0.26 3.69 0.04 -1.26 -5.05 135.00 135.71 2e0g s PRO 105 Ca 0.26 1.61 -0.26 0.00 0.04 0.00 0.00 61.00 62.65 2e0g s PRO 105 Cb 0.22 -2.01 0.14 0.00 0.04 0.00 0.00 34.50 32.90 2e0g s PRO 105 CO -0.12 -0.85 1.13 -1.14 0.04 0.00 0.00 177.00 176.07 2e0g s GLN 106 N -3.29 0.40 0.00 4.56 -0.44 -1.26 -5.37 119.66 114.26 2e0g s GLN 106 Ca 0.73 0.37 0.25 0.00 -2.50 0.00 0.00 55.36 54.21 2e0g s GLN 106 Cb -0.24 0.19 0.43 0.00 -1.64 0.00 0.00 33.01 31.76 2e0g s GLN 106 CO 0.27 -0.07 1.40 -2.13 0.50 0.00 0.00 175.29 175.26