#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 -6.87 -4.57 2.46 7.99 -1.26 -4.98 117.00 109.78 2e0g n LEU 2 Ca 0.00 0.46 -0.29 0.00 -0.01 0.00 0.00 56.01 56.17 2e0g n LEU 2 Cb 0.00 -3.04 0.23 0.00 -0.11 0.00 0.00 43.42 40.50 2e0g n LEU 2 CO 0.00 -1.96 0.58 -0.44 -1.51 0.00 0.00 177.39 174.06 2e0g s SER 3 N -2.30 1.15 0.12 -1.43 0.01 -1.26 -4.68 113.70 105.31 2e0g s SER 3 Ca 0.26 0.93 -0.33 0.00 1.31 0.00 0.00 55.95 58.12 2e0g s SER 3 Cb -0.06 -1.40 -0.11 0.00 0.21 0.00 0.00 66.02 64.66 2e0g s SER 3 CO 0.78 -4.01 1.57 0.25 0.41 0.00 0.00 173.24 172.23 2e0g h LEU 4 N -2.50 -1.49 -0.39 2.44 5.85 -2.00 -1.72 115.31 115.50 2e0g h LEU 4 Ca -0.50 0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.44 2e0g h LEU 4 Cb 1.32 0.57 -0.08 0.00 0.37 0.00 0.00 40.66 42.84 2e0g h LEU 4 CO 0.43 -0.50 -0.52 -0.25 -0.34 0.00 0.00 178.44 177.25 2e0g h TRP 5 N -0.65 -1.58 -0.68 1.25 7.01 -1.98 -0.88 115.95 118.44 2e0g h TRP 5 Ca 0.03 0.08 0.12 0.00 2.11 0.00 0.00 58.89 61.23 2e0g h TRP 5 Cb 0.70 0.74 -0.13 0.00 -2.10 0.00 0.00 29.16 28.38 2e0g h TRP 5 CO -0.47 -0.48 -0.30 1.96 -2.79 0.00 0.00 178.44 176.35 2e0g h GLN 6 N -0.39 -0.10 -0.45 2.65 1.08 -1.82 0.79 115.11 116.86 2e0g h GLN 6 Ca 0.09 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.38 2e0g h GLN 6 Cb 0.60 0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.99 2e0g h GLN 6 CO -0.58 -0.07 0.04 0.37 -0.95 0.00 0.00 178.83 177.64 2e0g h GLN 7 N -0.10 0.16 -0.99 1.46 4.15 -0.32 -0.80 115.11 118.66 2e0g h GLN 7 Ca 0.28 -0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.82 2e0g h GLN 7 Cb 0.56 -0.04 -0.09 0.00 0.21 0.00 0.00 27.48 28.12 2e0g h GLN 7 CO -0.74 0.11 0.61 0.00 -1.93 0.00 0.00 178.83 176.88 2e0g h LEU 9 N 0.93 -0.83 -1.20 0.00 3.38 -0.19 -1.24 115.31 116.17 2e0g h LEU 9 Ca 0.51 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.63 2e0g h LEU 9 Cb 0.57 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.46 2e0g h LEU 9 CO -0.29 -0.46 0.59 0.00 0.09 0.00 0.00 178.44 178.37 2e0g h ALA 10 N -1.21 1.71 -0.60 1.53 0.00 -1.00 0.44 119.26 120.14 2e0g h ALA 10 Ca -0.10 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2e0g h ALA 10 Cb 0.76 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2e0g h ALA 10 CO 0.16 0.05 0.04 -0.09 0.00 0.00 0.00 179.25 179.41 2e0g h ARG 11 N 0.81 1.02 -0.15 0.00 9.65 -0.54 0.27 114.38 125.43 2e0g h ARG 11 Ca 0.46 -0.29 -0.16 0.00 -1.10 0.00 0.00 59.98 58.88 2e0g h ARG 11 Cb 0.61 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 2e0g h ARG 11 CO -0.22 0.97 -0.60 1.25 2.80 0.00 0.00 179.97 184.18 2e0g h LEU 12 N 0.94 0.55 0.00 3.80 6.46 0.13 0.29 115.31 127.48 2e0g h LEU 12 Ca 0.18 -0.31 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 2e0g h LEU 12 Cb 0.49 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 2e0g h LEU 12 CO 0.02 1.02 -0.10 -0.61 -0.62 0.00 0.00 178.44 178.15 2e0g h GLN 13 N 0.37 0.00 0.10 1.25 5.75 -0.77 -3.06 115.11 118.75 2e0g h GLN 13 Ca -0.00 0.00 -0.37 0.00 -0.15 0.00 0.00 58.65 58.13 2e0g h GLN 13 Cb 1.14 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.66 2e0g h GLN 13 CO 0.11 0.00 -2.08 -3.47 -2.65 0.00 0.00 178.83 170.74 2e0g n ASP 14 N -3.02 2.05 0.02 -0.69 2.03 0.92 -4.21 116.55 113.65 2e0g n ASP 14 Ca 0.04 0.15 -0.00 0.00 0.52 0.00 0.00 54.79 55.50 2e0g n ASP 14 Cb 0.53 -0.75 0.30 0.00 -0.72 0.00 0.00 41.12 40.48 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 0.48 -3.35 -0.67 4.81 -0.52 -3.45 114.58 111.93 2e0g h GLU 15 Ca -0.45 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 58.62 2e0g h GLU 15 Cb 2.01 -0.07 -0.13 0.00 0.63 0.00 0.00 28.75 31.19 2e0g h GLU 15 CO 0.06 0.54 -0.06 -0.51 -0.73 0.00 0.00 179.01 178.30 2e0g s LEU 16 N -8.98 0.37 0.20 1.64 1.43 -1.16 -5.03 118.68 107.15 2e0g s LEU 16 Ca -0.07 -0.28 0.21 0.00 -1.03 0.00 0.00 54.13 52.96 2e0g s LEU 16 Cb 0.15 1.86 0.89 0.00 0.03 0.00 0.00 46.19 49.12 2e0g s LEU 16 CO 0.76 -0.84 1.65 -0.81 0.23 0.00 0.00 176.35 177.34 2e0g n PRO 17 N -0.18 0.15 -1.53 1.29 -0.04 -1.26 -4.22 135.00 129.21 2e0g n PRO 17 Ca -0.16 0.39 -0.35 0.00 -0.04 0.00 0.00 63.50 63.34 2e0g n PRO 17 Cb 0.63 -1.78 -0.10 0.00 -0.04 0.00 0.00 33.50 32.21 2e0g n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2e0g n ALA 18 N -1.71 0.58 0.82 0.55 0.00 -1.26 -4.72 120.51 114.76 2e0g n ALA 18 Ca 0.02 -0.71 0.12 0.00 0.00 0.00 0.00 53.44 52.87 2e0g n ALA 18 Cb 0.21 -2.78 0.19 0.00 0.00 0.00 0.00 19.45 17.07 2e0g n ALA 18 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2e0g n THR 19 N 7.67 0.13 -0.34 0.00 -1.04 -1.26 -4.15 114.28 115.29 2e0g n THR 19 Ca 0.52 -0.11 0.21 0.00 -2.04 0.00 0.00 64.05 62.63 2e0g n THR 19 Cb 0.30 0.14 0.45 0.00 -1.82 0.00 0.00 70.33 69.40 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 0.44 -0.99 -2.82 3.07 -2.00 0.46 114.58 112.75 2e0g h GLU 20 Ca 0.00 -0.03 0.27 0.00 -0.50 0.00 0.00 59.36 59.10 2e0g h GLU 20 Cb 0.60 -0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 28.35 2e0g h GLU 20 CO 0.00 0.29 0.68 0.27 -1.40 0.00 0.00 179.01 178.86 2e0g h PHE 21 N 0.46 0.26 0.00 4.33 -0.00 -1.95 0.68 116.94 120.72 2e0g h PHE 21 Ca 0.66 0.01 -0.04 0.00 -0.00 0.00 0.00 57.97 58.60 2e0g h PHE 21 Cb 1.46 -0.08 -0.01 0.00 -0.00 0.00 0.00 35.95 37.33 2e0g h PHE 21 CO -0.01 0.04 -0.20 1.03 -0.00 0.00 0.00 178.31 179.18 2e0g h SER 22 N 0.17 0.00 0.64 -0.68 0.87 -0.37 -1.28 113.55 112.91 2e0g h SER 22 Ca 0.50 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.79 2e0g h SER 22 Cb 1.67 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.59 2e0g h SER 22 CO -0.11 0.20 -1.44 0.24 -0.53 0.00 0.00 176.83 175.19 2e0g h MET 23 N 0.00 0.07 -0.79 2.24 2.86 0.25 -1.82 114.93 117.74 2e0g h MET 23 Ca -0.00 -0.12 -0.21 0.00 -2.06 0.00 0.00 59.70 57.31 2e0g h MET 23 Cb 0.40 0.04 -0.12 0.00 0.06 0.00 0.00 31.60 31.99 2e0g h MET 23 CO 0.03 0.83 0.26 0.91 1.06 0.00 0.00 176.91 180.00 2e0g n TRP 24 N -3.26 2.29 0.00 -0.22 7.02 -0.77 -4.25 117.44 118.25 2e0g n TRP 24 Ca -0.12 -1.12 0.00 0.00 -1.02 0.00 0.00 57.50 55.24 2e0g n TRP 24 Cb 1.01 -0.65 0.00 0.00 -2.42 0.00 0.00 31.31 29.25 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 -0.11 0.00 0.09 -0.99 2.08 -0.52 -4.77 119.36 115.14 2e0g n ILE 25 Ca 0.38 0.00 -0.16 0.00 0.56 0.00 0.00 62.75 63.53 2e0g n ILE 25 Cb 1.31 0.00 -0.10 0.00 -0.75 0.00 0.00 39.64 40.11 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 -0.68 0.00 0.38 2.47 -1.50 -1.36 114.38 113.69 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 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 2e0g h ARG 26 CO 0.00 -0.45 0.00 -1.00 0.56 0.00 0.00 179.97 179.08 2e0g h PRO 27 N -0.71 0.00 -7.31 0.04 0.13 -1.83 -3.45 132.00 118.88 2e0g h PRO 27 Ca -0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 2e0g h PRO 27 Cb 0.72 0.00 0.15 0.00 0.13 0.00 0.00 31.00 31.99 2e0g h PRO 27 CO -0.29 0.00 0.29 -0.51 -0.23 0.00 0.00 178.00 177.25 2e0g s LEU 28 N -5.50 2.82 -0.25 1.56 2.01 -0.51 -4.91 118.68 113.90 2e0g s LEU 28 Ca 0.02 1.81 0.01 0.00 0.01 0.00 0.00 54.13 55.99 2e0g s LEU 28 Cb 0.09 -4.40 0.07 0.00 0.01 0.00 0.00 46.19 41.96 2e0g s LEU 28 CO 0.48 -2.35 -0.04 -1.58 1.01 0.00 0.00 176.35 173.86 2e0g s GLN 29 N -4.86 1.65 0.43 1.70 -0.44 -0.55 -4.92 119.66 112.67 2e0g s GLN 29 Ca 0.63 -1.14 -0.03 0.00 -2.50 0.00 0.00 55.36 52.31 2e0g s GLN 29 Cb -0.18 -2.66 -0.03 0.00 -1.64 0.00 0.00 33.01 28.49 2e0g s GLN 29 CO 0.57 -0.65 0.69 0.00 0.50 0.00 0.00 175.29 176.40 2e0g s ALA 30 N 1.31 3.54 -0.18 1.58 0.00 -1.26 0.39 121.76 127.14 2e0g s ALA 30 Ca -0.04 -0.71 -0.08 0.00 0.00 0.00 0.00 51.96 51.13 2e0g s ALA 30 Cb -0.19 -2.37 0.07 0.00 0.00 0.00 0.00 23.12 20.63 2e0g s ALA 30 CO -0.07 -0.25 0.41 -2.00 0.00 0.00 0.00 175.76 173.85 2e0g s GLU 31 N -4.58 0.36 -0.21 0.00 2.12 0.22 -4.95 118.70 111.66 2e0g s GLU 31 Ca 0.45 0.89 -0.24 0.00 0.36 0.00 0.00 54.97 56.43 2e0g s GLU 31 Cb -0.10 0.12 -0.01 0.00 0.26 0.00 0.00 34.13 34.40 2e0g s GLU 31 CO 0.41 -0.20 0.80 -0.51 -0.54 0.00 0.00 175.26 175.22 2e0g s LEU 32 N 1.91 4.13 -0.32 2.70 1.43 -1.26 -1.17 118.68 126.10 2e0g s LEU 32 Ca -0.06 1.05 0.09 0.00 -1.03 0.00 0.00 54.13 54.18 2e0g s LEU 32 Cb -0.10 -3.16 0.72 0.00 0.03 0.00 0.00 46.19 43.68 2e0g s LEU 32 CO -0.13 -0.43 1.78 -0.24 0.23 0.00 0.00 176.35 177.56 2e0g n SER 33 N 5.56 4.71 0.00 2.29 2.88 0.15 -4.86 113.62 124.35 2e0g n SER 33 Ca 0.04 -3.18 0.00 0.00 -1.33 0.00 0.00 58.87 54.40 2e0g n SER 33 Cb 0.48 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 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 -0.16 0.00 -0.08 -3.46 -0.08 -1.26 -4.28 116.55 107.23 2e0g n ASP 34 Ca 0.40 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.68 2e0g n ASP 34 Cb 1.37 -0.33 0.00 0.00 2.34 0.00 0.00 41.12 44.50 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 0.00 -3.56 1.67 4.13 -1.26 -5.03 115.26 111.21 2e0g n ASN 35 Ca 0.00 -0.18 -0.00 0.00 1.68 0.00 0.00 54.58 56.07 2e0g n ASN 35 Cb 0.00 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.20 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 -0.99 -0.68 3.41 2.01 -1.26 -1.81 115.64 116.32 2e0g s THR 36 Ca 0.00 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.80 2e0g s THR 36 Cb 0.00 -0.99 0.10 0.00 0.01 0.00 0.00 72.50 71.62 2e0g s THR 36 CO 0.00 0.00 0.88 -0.22 -0.69 0.00 0.00 174.62 174.59 2e0g s LEU 37 N 2.88 4.97 0.00 4.42 0.20 0.11 -0.67 118.68 130.59 2e0g s LEU 37 Ca -0.01 -1.39 -0.16 0.00 0.69 0.00 0.00 54.13 53.26 2e0g s LEU 37 Cb -0.13 -2.36 -0.06 0.00 -0.43 0.00 0.00 46.19 43.21 2e0g s LEU 37 CO -0.19 -1.23 0.45 0.00 -0.29 0.00 0.00 176.35 175.09 2e0g s ALA 38 N 3.18 3.65 0.09 5.97 0.00 -0.32 0.01 121.76 134.34 2e0g s ALA 38 Ca 0.19 -0.16 0.08 0.00 0.00 0.00 0.00 51.96 52.08 2e0g s ALA 38 Cb -0.18 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 2e0g s ALA 38 CO 0.05 0.41 -0.18 -0.51 0.00 0.00 0.00 175.76 175.53 2e0g s LEU 39 N -0.90 2.66 -0.19 0.00 1.02 0.10 0.68 118.68 122.06 2e0g s LEU 39 Ca 0.25 -0.50 0.01 0.00 0.02 0.00 0.00 54.13 53.91 2e0g s LEU 39 Cb -0.17 -1.54 0.03 0.00 0.02 0.00 0.00 46.19 44.53 2e0g s LEU 39 CO 0.14 0.21 -0.18 -0.31 0.02 0.00 0.00 176.35 176.24 2e0g s TYR 40 N -1.05 2.78 0.17 0.29 2.02 0.16 0.31 117.35 122.04 2e0g s TYR 40 Ca 0.17 -1.71 0.04 0.00 -0.37 0.00 0.00 57.07 55.19 2e0g s TYR 40 Cb -0.11 -1.88 -0.04 0.00 -0.40 0.00 0.00 41.96 39.54 2e0g s TYR 40 CO 0.08 -0.81 0.25 0.00 -1.57 0.00 0.00 175.55 173.51 2e0g s ALA 41 N 1.28 3.83 -0.48 3.71 0.00 0.17 -1.49 121.76 128.79 2e0g s ALA 41 Ca 0.03 -1.14 0.23 0.00 0.00 0.00 0.00 51.96 51.08 2e0g s ALA 41 Cb -0.14 -1.63 0.98 0.00 0.00 0.00 0.00 23.12 22.33 2e0g s ALA 41 CO -0.11 0.46 1.71 -0.35 0.00 0.00 0.00 175.76 177.47 2e0g n PRO 42 N -0.67 0.19 -3.43 0.00 -0.04 -1.26 -0.03 135.00 129.76 2e0g n PRO 42 Ca -0.08 0.42 -0.05 0.00 -0.04 0.00 0.00 63.50 63.76 2e0g n PRO 42 Cb 0.55 -1.87 0.02 0.00 -0.04 0.00 0.00 33.50 32.16 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 -2.23 -1.73 0.07 3.54 2.04 -1.26 -4.67 115.26 111.02 2e0g n ASN 43 Ca 0.02 -2.07 -0.09 0.00 -0.44 0.00 0.00 54.58 52.00 2e0g n ASN 43 Cb 0.23 2.85 0.03 0.00 -2.53 0.00 0.00 39.78 40.35 2e0g n ASN 43 CO 0.00 0.00 0.00 -0.09 -0.44 0.00 0.00 177.26 176.73 2e0g h ARG 44 N 0.00 0.33 0.07 -3.83 2.43 -1.95 -3.07 114.38 108.35 2e0g h ARG 44 Ca -0.26 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 2e0g h ARG 44 Cb 1.04 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 2e0g h ARG 44 CO 0.34 0.95 -0.22 0.74 -1.51 0.00 0.00 179.97 180.27 2e0g h PHE 45 N 0.21 -0.63 -0.71 2.20 -1.00 -1.99 -0.31 116.94 114.71 2e0g h PHE 45 Ca -0.04 0.02 0.10 0.00 2.81 0.00 0.00 57.97 60.86 2e0g h PHE 45 Cb 1.35 0.27 -0.08 0.00 3.61 0.00 0.00 35.95 41.10 2e0g h PHE 45 CO 0.04 -0.25 0.34 0.28 -1.61 0.00 0.00 178.31 177.10 2e0g h VAL 46 N -0.33 0.81 0.06 -0.55 2.07 -1.99 -1.94 116.25 114.38 2e0g h VAL 46 Ca -0.01 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.33 2e0g h VAL 46 Cb 0.32 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 2e0g h VAL 46 CO -0.11 0.10 -0.39 0.25 0.02 0.00 0.00 177.57 177.44 2e0g h LEU 47 N 0.56 -1.19 -1.16 2.57 7.12 -1.36 0.36 115.31 122.21 2e0g h LEU 47 Ca 0.36 0.13 0.19 0.00 0.13 0.00 0.00 57.88 58.68 2e0g h LEU 47 Cb 0.42 0.44 -0.09 0.00 -0.53 0.00 0.00 40.66 40.90 2e0g h LEU 47 CO -0.29 -0.40 0.61 -0.78 -0.13 0.00 0.00 178.44 177.45 2e0g h ASP 48 N -0.53 0.69 0.62 1.25 1.82 -0.79 -0.19 116.42 119.28 2e0g h ASP 48 Ca -0.00 0.07 -0.03 0.00 -0.39 0.00 0.00 57.03 56.68 2e0g h ASP 48 Cb 0.55 -0.05 0.01 0.00 0.68 0.00 0.00 39.33 40.51 2e0g h ASP 48 CO -0.23 0.27 -0.30 -0.25 -1.61 0.00 0.00 179.24 177.13 2e0g h TRP 49 N 0.69 -0.77 -0.29 0.28 2.91 -0.46 -1.91 115.95 116.40 2e0g h TRP 49 Ca 0.54 -0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.60 2e0g h TRP 49 Cb 0.93 0.26 -0.06 0.00 -0.51 0.00 0.00 29.16 29.77 2e0g h TRP 49 CO -0.00 -0.43 -0.13 0.28 -1.03 0.00 0.00 178.44 177.13 2e0g h VAL 50 N -1.05 0.59 0.00 2.65 2.07 0.27 0.27 116.25 121.05 2e0g h VAL 50 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2e0g h VAL 50 Cb 0.69 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2e0g h VAL 50 CO 0.14 0.00 0.00 -1.14 0.02 0.00 0.00 177.57 176.59 2e0g n ARG 51 N -5.30 0.13 -0.05 1.57 0.00 -0.14 0.23 116.66 113.10 2e0g n ARG 51 Ca -0.00 0.56 -0.12 0.00 -0.00 0.00 0.00 57.85 58.29 2e0g n ARG 51 Cb 0.22 -1.86 -0.10 0.00 0.00 0.00 0.00 32.46 30.71 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 -0.02 0.00 6.15 3.58 0.38 -3.35 116.42 123.16 2e0g h ASP 52 Ca 0.00 -0.75 0.00 0.00 0.42 0.00 0.00 57.03 56.70 2e0g h ASP 52 Cb 0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2e0g h ASP 52 CO 0.00 0.81 -0.81 2.29 -2.88 0.00 0.00 179.24 178.65 2e0g n LYS 53 N -4.69 0.43 -0.36 0.28 0.00 -0.98 -4.35 118.16 108.49 2e0g n LYS 53 Ca -0.08 0.17 -0.01 0.00 -0.00 0.00 0.00 58.31 58.38 2e0g n LYS 53 Cb 0.37 -1.25 0.04 0.00 -0.00 0.00 0.00 35.03 34.19 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 -0.81 -1.05 -0.14 5.58 3.20 -0.44 -1.24 116.97 122.07 2e0g h TYR 54 Ca 0.00 0.10 0.02 0.00 3.14 0.00 0.00 58.73 61.99 2e0g h TYR 54 Cb 0.81 0.60 -0.03 0.00 1.54 0.00 0.00 36.73 39.65 2e0g h TYR 54 CO -0.35 -0.40 -0.21 1.25 -1.64 0.00 0.00 178.16 176.81 2e0g h LEU 55 N -0.02 -0.69 -0.95 2.82 6.46 -1.57 0.14 115.31 121.51 2e0g h LEU 55 Ca 0.34 0.09 0.23 0.00 -0.12 0.00 0.00 57.88 58.42 2e0g h LEU 55 Cb 0.60 0.28 -0.18 0.00 -0.73 0.00 0.00 40.66 40.63 2e0g h LEU 55 CO -0.96 -0.16 -0.05 0.78 -0.62 0.00 0.00 178.44 177.44 2e0g h ASN 56 N -0.16 -0.57 0.62 1.25 -0.26 -1.45 0.13 115.58 115.14 2e0g h ASN 56 Ca 0.02 0.27 -0.03 0.00 -0.56 0.00 0.00 56.30 56.00 2e0g h ASN 56 Cb 0.23 0.49 0.01 0.00 -1.06 0.00 0.00 38.32 37.99 2e0g h ASN 56 CO -0.21 -0.32 -0.30 0.78 -1.06 0.00 0.00 177.43 176.32 2e0g h ASN 57 N 0.02 -0.72 -0.05 5.81 2.35 -0.50 -1.81 115.58 120.69 2e0g h ASN 57 Ca 0.53 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 56.35 2e0g h ASN 57 Cb 1.01 0.19 -0.06 0.00 0.05 0.00 0.00 38.32 39.51 2e0g h ASN 57 CO -0.90 -0.51 -0.37 0.40 -1.65 0.00 0.00 177.43 174.40 2e0g h ILE 58 N -0.84 0.21 -0.31 2.81 1.08 0.16 -1.50 117.51 119.13 2e0g h ILE 58 Ca -0.08 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.44 2e0g h ILE 58 Cb 0.65 0.21 -0.08 0.00 -3.07 0.00 0.00 36.82 34.53 2e0g h ILE 58 CO 0.14 0.00 -0.44 0.78 -0.69 0.00 0.00 178.15 177.94 2e0g h ASN 59 N -0.50 -1.44 -0.96 1.72 2.35 -0.83 0.19 115.58 116.12 2e0g h ASN 59 Ca 0.07 0.21 0.20 0.00 -0.55 0.00 0.00 56.30 56.22 2e0g h ASN 59 Cb 0.61 0.61 -0.08 0.00 0.05 0.00 0.00 38.32 39.50 2e0g h ASN 59 CO -0.32 -0.39 0.61 1.23 -1.65 0.00 0.00 177.43 176.91 2e0g h GLY 60 N -0.39 1.25 0.45 2.83 0.00 -0.94 -1.63 103.07 104.63 2e0g h GLY 60 Ca 0.11 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 2e0g h GLY 60 CO -0.52 -0.03 -0.00 -2.00 0.00 0.00 0.00 176.54 173.99 2e0g h LEU 61 N 0.55 -0.00 -0.51 3.11 6.46 0.14 -1.86 115.31 123.19 2e0g h LEU 61 Ca 0.52 -0.54 0.10 0.00 -0.12 0.00 0.00 57.88 57.84 2e0g h LEU 61 Cb 1.09 0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 40.92 2e0g h LEU 61 CO -0.26 0.54 -0.15 -0.07 -0.62 0.00 0.00 178.44 177.88 2e0g h LEU 62 N -0.55 -0.56 -0.20 2.25 3.38 0.16 0.73 115.31 120.53 2e0g h LEU 62 Ca -0.00 0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2e0g h LEU 62 Cb 0.55 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2e0g h LEU 62 CO 0.00 -0.19 0.05 0.74 0.09 0.00 0.00 178.44 179.13 2e0g h THR 63 N -0.03 1.21 0.00 0.22 2.02 -1.42 -1.55 112.91 113.36 2e0g h THR 63 Ca 0.25 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 2e0g h THR 63 Cb 0.41 1.27 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2e0g h THR 63 CO -0.55 0.21 -0.03 -1.28 0.37 0.00 0.00 175.52 174.24 2e0g h SER 64 N 0.13 0.00 0.12 4.18 0.87 -0.43 0.28 113.55 118.70 2e0g h SER 64 Ca 0.06 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.46 2e0g h SER 64 Cb 0.27 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.25 2e0g h SER 64 CO 0.00 0.03 -0.70 0.15 -0.53 0.00 0.00 176.83 175.77 2e0g h PHE 65 N 0.00 0.46 0.00 2.24 3.57 0.92 -3.45 116.94 120.67 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 0.28 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.00 2e0g h PHE 65 CO 0.00 1.27 -0.23 0.00 -2.23 0.00 0.00 178.31 177.12 2e0g n GLY 67 N 1.86 -1.35 3.41 0.00 0.00 0.95 -4.62 105.19 105.44 2e0g n GLY 67 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.26 -0.05 0.00 0.00 0.00 0.00 19.45 19.14 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 3.67 -4.75 0.00 -0.08 -1.26 -5.04 116.55 109.08 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 1.19 0.11 0.00 2.34 0.00 0.00 41.12 44.76 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 -2.37 1.91 1.22 -1.67 0.00 -1.26 -5.02 121.76 114.57 2e0g s ALA 70 Ca -0.02 -0.03 -0.19 0.00 0.00 0.00 0.00 51.96 51.72 2e0g s ALA 70 Cb 0.03 -3.18 0.27 0.00 0.00 0.00 0.00 23.12 20.24 2e0g s ALA 70 CO 0.24 -2.03 0.98 -0.35 0.00 0.00 0.00 175.76 174.59 2e0g n PRO 71 N -3.67 -2.93 -4.40 0.00 -0.04 -1.26 -4.99 135.00 117.71 2e0g n PRO 71 Ca 0.07 -1.57 -0.30 0.00 -0.04 0.00 0.00 63.50 61.67 2e0g n PRO 71 Cb 0.55 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 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 -5.22 2.20 -0.04 0.54 -0.21 -0.75 -4.90 119.66 111.28 2e0g s GLN 72 Ca 0.64 -2.20 0.04 0.00 0.02 0.00 0.00 55.36 53.86 2e0g s GLN 72 Cb -0.06 -1.77 -0.03 0.00 1.00 0.00 0.00 33.01 32.15 2e0g s GLN 72 CO 0.49 -0.40 -0.15 -1.17 -2.12 0.00 0.00 175.29 171.94 2e0g s LEU 73 N -4.00 2.68 0.22 2.90 2.96 -1.26 0.07 118.68 122.25 2e0g s LEU 73 Ca 0.20 -0.22 0.06 0.00 -0.22 0.00 0.00 54.13 53.96 2e0g s LEU 73 Cb 0.01 -1.54 -0.05 0.00 0.50 0.00 0.00 46.19 45.11 2e0g s LEU 73 CO 0.12 0.34 -0.10 -0.13 -1.32 0.00 0.00 176.35 175.26 2e0g s ARG 74 N -0.74 1.36 0.03 1.98 0.52 0.10 -4.88 118.95 117.33 2e0g s ARG 74 Ca 0.11 -1.64 -0.06 0.00 -0.52 0.00 0.00 55.73 53.63 2e0g s ARG 74 Cb -0.11 -1.00 -0.01 0.00 0.52 0.00 0.00 34.95 34.36 2e0g s ARG 74 CO 0.00 0.09 0.11 -0.06 0.02 0.00 0.00 175.30 175.46 2e0g s PHE 75 N -3.09 0.17 -0.14 -0.53 0.40 -1.26 0.03 117.98 113.57 2e0g s PHE 75 Ca 0.24 -0.45 -0.24 0.00 -0.60 0.00 0.00 56.93 55.89 2e0g s PHE 75 Cb 0.02 -0.12 0.06 0.00 0.51 0.00 0.00 43.02 43.48 2e0g s PHE 75 CO 0.08 -0.36 0.59 -2.00 0.70 0.00 0.00 175.22 174.23 2e0g s GLU 76 N -2.47 0.83 -0.44 0.44 2.12 0.15 -4.82 118.70 114.51 2e0g s GLU 76 Ca -0.06 0.50 -0.15 0.00 0.36 0.00 0.00 54.97 55.61 2e0g s GLU 76 Cb -0.02 0.39 0.04 0.00 0.26 0.00 0.00 34.13 34.81 2e0g s GLU 76 CO -0.04 -0.19 0.34 0.08 -0.54 0.00 0.00 175.26 174.91 2e0g s VAL 77 N -0.44 5.20 0.00 3.70 1.01 -1.26 -0.65 120.40 127.96 2e0g s VAL 77 Ca -0.06 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.06 2e0g s VAL 77 Cb -0.03 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2e0g s VAL 77 CO 0.05 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.33 2e0g n GLY 78 N 5.17 0.84 3.55 4.51 0.00 0.96 -4.56 105.19 115.66 2e0g n GLY 78 Ca -0.12 0.64 -0.26 0.00 0.00 0.00 0.00 46.02 46.28 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 1.96 0.84 2.61 -4.23 -1.26 -4.92 115.64 110.65 2e0g s THR 79 Ca 0.00 -2.09 -0.14 0.00 -1.18 0.00 0.00 61.69 58.28 2e0g s THR 79 Cb 0.00 -2.79 -0.00 0.00 1.34 0.00 0.00 72.50 71.05 2e0g s THR 79 CO 0.00 -0.11 0.45 2.29 -0.54 0.00 0.00 174.62 176.71 2e0g n LYS 80 N -0.83 0.00 -1.16 3.99 2.85 -1.26 -4.97 118.16 116.78 2e0g n LYS 80 Ca -0.05 0.05 -0.29 0.00 -1.05 0.00 0.00 58.31 56.97 2e0g n LYS 80 Cb 0.65 -1.84 0.18 0.00 -0.65 0.00 0.00 35.03 33.37 2e0g n LYS 80 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2e0g s PRO 81 N -3.20 0.44 0.02 -1.58 0.04 -1.26 -5.09 135.00 124.37 2e0g s PRO 81 Ca 0.61 0.53 0.00 0.00 0.04 0.00 0.00 61.00 62.18 2e0g s PRO 81 Cb -0.28 -1.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 2e0g s PRO 81 CO 0.63 -2.73 -0.03 0.08 0.04 0.00 0.00 177.00 174.99 2e0g s VAL 82 N -2.96 0.14 0.00 -0.36 1.01 -1.26 -5.16 120.40 111.81 2e0g s VAL 82 Ca 0.65 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2e0g s VAL 82 Cb -0.19 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 35.94 2e0g s VAL 82 CO 0.58 -0.40 0.00 1.07 0.00 0.00 0.00 175.10 176.35 2e0g n THR 83 N 1.85 0.00 -3.64 3.92 5.66 -1.26 -5.18 114.28 115.63 2e0g n THR 83 Ca -0.22 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.75 2e0g n THR 83 Cb 0.56 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.27 2e0g n THR 83 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2e0g s GLN 84 N -2.00 0.30 -0.42 1.09 -2.07 -1.26 -5.11 119.66 110.19 2e0g s GLN 84 Ca 0.00 0.44 0.07 0.00 -1.82 0.00 0.00 55.36 54.05 2e0g s GLN 84 Cb 0.00 0.10 0.22 0.00 -1.09 0.00 0.00 33.01 32.25 2e0g s GLN 84 CO 0.00 -0.05 0.55 0.25 -1.32 0.00 0.00 175.29 174.72 2e0g n THR 85 N 2.81 -0.67 -2.25 3.63 -2.24 -1.26 -5.13 114.28 109.16 2e0g n THR 85 Ca -0.15 -3.18 -0.39 0.00 -2.27 0.00 0.00 64.05 58.06 2e0g n THR 85 Cb 0.57 -1.06 -0.02 0.00 -2.10 0.00 0.00 70.33 67.72 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 -0.36 4.13 -0.16 -0.78 0.04 -1.26 -5.03 135.00 131.58 2e0g s PRO 86 Ca 0.34 1.93 -0.34 0.00 0.04 0.00 0.00 61.00 62.96 2e0g s PRO 86 Cb 0.13 -2.78 0.13 0.00 0.04 0.00 0.00 34.50 32.02 2e0g s PRO 86 CO -0.15 -0.28 1.18 -1.14 0.04 0.00 0.00 177.00 176.65 2e0g s GLN 87 N -2.15 0.37 -0.29 4.56 0.74 -1.26 -5.18 119.66 116.45 2e0g s GLN 87 Ca 0.55 -0.14 -0.19 0.00 0.05 0.00 0.00 55.36 55.63 2e0g s GLN 87 Cb -0.33 0.17 0.17 0.00 1.10 0.00 0.00 33.01 34.12 2e0g s GLN 87 CO 0.42 -0.16 1.15 0.00 -0.55 0.00 0.00 175.29 176.15 2e0g s ALA 88 N -2.50 -2.36 -0.30 1.58 0.00 -1.26 -5.17 121.76 111.76 2e0g s ALA 88 Ca 0.09 2.01 -0.17 0.00 0.00 0.00 0.00 51.96 53.89 2e0g s ALA 88 Cb -0.01 -1.78 0.20 0.00 0.00 0.00 0.00 23.12 21.53 2e0g s ALA 88 CO -0.05 -0.28 1.21 0.00 0.00 0.00 0.00 175.76 176.64 2e0g s ALA 89 N 0.89 -2.82 -0.12 0.00 0.00 -1.26 -5.17 121.76 113.28 2e0g s ALA 89 Ca -0.05 1.95 -0.10 0.00 0.00 0.00 0.00 51.96 53.77 2e0g s ALA 89 Cb -0.04 -2.06 0.03 0.00 0.00 0.00 0.00 23.12 21.06 2e0g s ALA 89 CO -0.12 -0.57 0.31 0.08 0.00 0.00 0.00 175.76 175.45 2e0g s VAL 90 N 1.50 -0.01 -0.04 0.00 1.01 -1.26 -5.17 120.40 116.44 2e0g s VAL 90 Ca -0.05 0.02 -0.24 0.00 0.00 0.00 0.00 61.98 61.71 2e0g s VAL 90 Cb -0.02 -0.44 0.05 0.00 0.00 0.00 0.00 36.38 35.97 2e0g s VAL 90 CO -0.13 0.01 0.52 -0.89 0.00 0.00 0.00 175.10 174.61 2e0g s THR 91 N 0.37 0.02 -0.25 3.92 2.01 -1.26 -5.17 115.64 115.28 2e0g s THR 91 Ca -0.02 -0.20 -0.29 0.00 0.31 0.00 0.00 61.69 61.50 2e0g s THR 91 Cb -0.03 -0.83 0.17 0.00 0.01 0.00 0.00 72.50 71.82 2e0g s THR 91 CO -0.01 -0.11 1.26 -0.44 -0.69 0.00 0.00 174.62 174.62 2e0g s SER 92 N -1.19 -0.15 -0.30 3.53 0.01 -1.26 -5.17 113.70 109.17 2e0g s SER 92 Ca -0.12 0.18 -0.16 0.00 1.31 0.00 0.00 55.95 57.17 2e0g s SER 92 Cb -0.02 0.15 0.17 0.00 0.21 0.00 0.00 66.02 66.53 2e0g s SER 92 CO 0.07 -0.12 1.09 0.21 0.41 0.00 0.00 173.24 174.90 2e0g s ASN 93 N -0.85 -0.39 0.03 2.44 3.04 -1.26 -5.18 114.94 112.77 2e0g s ASN 93 Ca 0.06 0.56 0.01 0.00 0.04 0.00 0.00 52.86 53.52 2e0g s ASN 93 Cb -0.02 1.38 -0.02 0.00 -1.54 0.00 0.00 41.25 41.05 2e0g s ASN 93 CO -0.06 -0.08 -0.05 0.54 -3.04 0.00 0.00 177.10 174.40 2e0g s VAL 94 N 2.02 0.33 -0.30 -5.21 0.11 -1.26 -5.15 120.40 110.95 2e0g s VAL 94 Ca -0.03 -0.90 -0.18 0.00 -2.93 0.00 0.00 61.98 57.94 2e0g s VAL 94 Cb -0.04 -0.42 0.19 0.00 -1.53 0.00 0.00 36.38 34.58 2e0g s VAL 94 CO -0.16 -0.38 1.21 0.00 -3.33 0.00 0.00 175.10 172.44 2e0g s ALA 95 N -1.26 -2.47 -0.34 1.54 0.00 -1.26 -5.11 121.76 112.86 2e0g s ALA 95 Ca -0.11 1.98 -0.02 0.00 0.00 0.00 0.00 51.96 53.81 2e0g s ALA 95 Cb -0.09 -1.86 0.27 0.00 0.00 0.00 0.00 23.12 21.44 2e0g s ALA 95 CO -0.00 -0.28 1.23 0.00 0.00 0.00 0.00 175.76 176.70 2e0g n ALA 96 N 2.94 -3.43 -1.08 0.00 0.00 -1.26 -5.17 120.51 112.52 2e0g n ALA 96 Ca -0.16 -0.38 -0.30 0.00 0.00 0.00 0.00 53.44 52.60 2e0g n ALA 96 Cb 0.57 -3.12 0.24 0.00 0.00 0.00 0.00 19.45 17.14 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 0.14 -1.29 -0.22 0.00 0.04 -1.26 -5.09 135.00 127.31 2e0g s PRO 97 Ca 0.26 -0.09 -0.32 0.00 0.04 0.00 0.00 61.00 60.89 2e0g s PRO 97 Cb 0.21 -1.59 0.16 0.00 0.04 0.00 0.00 34.50 33.32 2e0g s PRO 97 CO -0.10 -3.75 1.22 0.00 0.04 0.00 0.00 177.00 174.41 2e0g s ALA 98 N -3.01 -2.06 -0.20 8.56 0.00 -1.26 -5.18 121.76 118.61 2e0g s ALA 98 Ca 0.71 1.70 -0.28 0.00 0.00 0.00 0.00 51.96 54.10 2e0g s ALA 98 Cb -0.09 -0.73 0.11 0.00 0.00 0.00 0.00 23.12 22.40 2e0g s ALA 98 CO 0.56 -0.41 0.91 -1.14 0.00 0.00 0.00 175.76 175.67 2e0g s GLN 99 N -1.67 0.69 -0.24 0.00 0.74 -1.26 -5.18 119.66 112.74 2e0g s GLN 99 Ca 0.07 0.46 -0.27 0.00 0.05 0.00 0.00 55.36 55.67 2e0g s GLN 99 Cb -0.01 0.33 0.14 0.00 1.10 0.00 0.00 33.01 34.57 2e0g s GLN 99 CO -0.05 -0.16 1.11 0.54 -0.55 0.00 0.00 175.29 176.18 2e0g s VAL 100 N -0.43 0.00 -0.18 1.34 0.11 -1.26 -5.18 120.40 114.79 2e0g s VAL 100 Ca -0.01 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.73 2e0g s VAL 100 Cb -0.03 -1.00 0.14 0.00 -1.53 0.00 0.00 36.38 33.97 2e0g s VAL 100 CO 0.00 0.00 1.13 0.00 -3.33 0.00 0.00 175.10 172.90 2e0g s ALA 101 N -0.34 -2.00 -0.18 1.54 0.00 -1.26 -5.18 121.76 114.34 2e0g s ALA 101 Ca 0.03 1.62 -0.29 0.00 0.00 0.00 0.00 51.96 53.31 2e0g s ALA 101 Cb -0.03 -0.69 0.12 0.00 0.00 0.00 0.00 23.12 22.52 2e0g s ALA 101 CO -0.05 -0.39 0.99 -1.14 0.00 0.00 0.00 175.76 175.17 2e0g s GLN 102 N -1.56 0.60 0.34 0.00 0.74 -1.26 -5.19 119.66 113.34 2e0g s GLN 102 Ca 0.04 0.26 0.05 0.00 0.05 0.00 0.00 55.36 55.75 2e0g s GLN 102 Cb -0.01 0.28 -0.02 0.00 1.10 0.00 0.00 33.01 34.37 2e0g s GLN 102 CO -0.03 -0.16 0.36 0.95 -0.55 0.00 0.00 175.29 175.85 2e0g s THR 103 N -0.80 0.00 0.06 -0.34 -4.23 -1.26 -5.19 115.64 103.89 2e0g s THR 103 Ca -0.01 -1.86 -0.02 0.00 -1.18 0.00 0.00 61.69 58.62 2e0g s THR 103 Cb -0.01 -2.57 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 2e0g s THR 103 CO 0.00 0.00 -0.00 -1.10 -0.54 0.00 0.00 174.62 172.98 2e0g s GLN 104 N -3.23 0.67 1.13 3.99 1.11 -1.26 -5.17 119.66 116.89 2e0g s GLN 104 Ca 0.37 -1.22 -0.19 0.00 0.01 0.00 0.00 55.36 54.34 2e0g s GLN 104 Cb 0.01 0.23 0.28 0.00 -1.01 0.00 0.00 33.01 32.52 2e0g s GLN 104 CO 0.26 -0.14 1.00 -0.35 0.01 0.00 0.00 175.29 176.07 2e0g n PRO 105 N 0.07 -2.97 -3.62 2.91 -0.04 -1.26 -5.10 135.00 125.00 2e0g n PRO 105 Ca -0.13 -1.60 -0.04 0.00 -0.04 0.00 0.00 63.50 61.70 2e0g n PRO 105 Cb 0.61 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.52 2e0g n PRO 105 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2e0g s GLN 106 N -5.27 0.53 0.00 0.54 0.74 -1.26 -5.36 119.66 109.58 2e0g s GLN 106 Ca 0.65 1.00 0.24 0.00 0.05 0.00 0.00 55.36 57.30 2e0g s GLN 106 Cb -0.06 0.25 1.42 0.00 1.10 0.00 0.00 33.01 35.72 2e0g s GLN 106 CO 0.50 -0.13 1.79 -2.13 -0.55 0.00 0.00 175.29 174.77