#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9d n ASN 3 N 0.00 1.62 -1.85 1.61 6.94 -1.26 -5.10 115.26 117.22 3i9d n ASN 3 Ca 0.00 -0.81 0.00 0.00 -0.02 0.00 0.00 54.58 53.75 3i9d n ASN 3 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 3i9d n ASN 3 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3i9d n LYS 4 N 0.00 -4.42 -2.42 -3.83 5.02 -1.26 -5.06 118.16 106.20 3i9d n LYS 4 Ca 0.00 3.19 -0.14 0.00 -2.02 0.00 0.00 58.31 59.35 3i9d n LYS 4 Cb 0.00 -3.61 0.04 0.00 -0.02 0.00 0.00 35.03 31.44 3i9d n LYS 4 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3i9d n ILE 5 N 0.47 0.00 -2.74 -0.18 -0.00 -1.26 -5.07 119.36 110.57 3i9d n ILE 5 Ca 0.00 -1.32 -0.42 0.00 -0.00 0.00 0.00 62.75 61.01 3i9d n ILE 5 Cb 0.00 -0.61 -0.03 0.00 -0.00 0.00 0.00 39.64 39.00 3i9d n ILE 5 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 3i9d s HIS 6 N -1.46 3.41 -1.88 4.28 5.65 -1.26 -4.88 115.29 119.15 3i9d s HIS 6 Ca 0.38 1.43 0.03 0.00 0.25 0.00 0.00 55.06 57.15 3i9d s HIS 6 Cb -0.03 -3.17 0.17 0.00 -1.18 0.00 0.00 32.58 28.38 3i9d s HIS 6 CO 0.24 -0.34 0.71 -0.35 -0.65 0.00 0.00 174.74 174.35 3i9d n PRO 7 N 5.65 0.08 0.00 2.88 -0.04 -1.26 -2.18 135.00 140.13 3i9d n PRO 7 Ca 0.09 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 3i9d n PRO 7 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 3i9d n PRO 7 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3i9d n ILE 8 N -1.06 0.00 0.25 0.52 2.08 -1.26 -3.78 119.36 116.11 3i9d n ILE 8 Ca 0.02 0.48 0.13 0.00 0.56 0.00 0.00 62.75 63.94 3i9d n ILE 8 Cb 0.01 -1.48 0.53 0.00 -0.75 0.00 0.00 39.64 37.96 3i9d n ILE 8 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 3i9d h GLY 9 N 0.00 0.00 0.85 7.39 0.00 -1.96 1.19 103.07 110.54 3i9d h GLY 9 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 3i9d h GLY 9 CO 0.00 0.00 -0.47 -2.75 0.00 0.00 0.00 176.54 173.32 3i9d h PHE 10 N 0.00 0.67 0.00 5.60 3.57 -1.65 -3.37 116.94 121.76 3i9d h PHE 10 Ca 0.07 -0.29 -0.02 0.00 3.53 0.00 0.00 57.97 61.26 3i9d h PHE 10 Cb 1.32 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.95 3i9d h PHE 10 CO 0.00 1.06 -0.17 0.00 -2.23 0.00 0.00 178.31 176.97 3i9d h ARG 11 N 0.08 0.00 0.00 1.11 2.47 0.12 -3.45 114.38 114.71 3i9d h ARG 11 Ca -0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 3i9d h ARG 11 Cb 1.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 3i9d h ARG 11 CO 0.10 0.36 0.00 -0.11 0.56 0.00 0.00 179.97 180.88 3i9d n LEU 12 N -4.68 0.00 -1.57 3.04 -0.00 0.79 -2.12 117.00 112.47 3i9d n LEU 12 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.95 3i9d n LEU 12 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.65 3i9d n LEU 12 CO 0.12 0.00 0.49 0.61 -0.00 0.00 0.00 177.39 178.62 3i9d n GLY 13 N 0.00 1.50 0.00 -3.96 0.00 -1.26 -4.05 105.19 97.42 3i9d n GLY 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i9d n GLY 13 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3i9d n ILE 14 N 1.51 0.00 -0.08 -0.61 3.06 -0.90 -4.99 119.36 117.36 3i9d n ILE 14 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 3i9d n ILE 14 Cb 0.28 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.46 3i9d n ILE 14 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 3i9d n THR 15 N -1.10 0.00 0.00 9.51 -1.04 -1.26 -4.66 114.28 115.73 3i9d n THR 15 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i9d n THR 15 Cb 0.00 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.43 3i9d n THR 15 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3i9d n ARG 16 N -2.00 0.00 -2.09 -2.82 3.00 -1.26 -4.77 116.66 106.72 3i9d n ARG 16 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.51 3i9d n ARG 16 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.47 3i9d n ARG 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3i9d s ASP 17 N 0.00 5.64 0.53 6.15 1.11 -1.26 -4.23 116.67 124.61 3i9d s ASP 17 Ca 0.00 2.00 -0.18 0.00 0.18 0.00 0.00 52.55 54.55 3i9d s ASP 17 Cb 0.00 -2.56 -0.15 0.00 1.07 0.00 0.00 42.92 41.29 3i9d s ASP 17 CO 0.00 -1.27 -0.12 0.79 1.18 0.00 0.00 175.17 175.75 3i9d n TRP 18 N -1.77 -2.89 0.13 4.23 8.01 -1.26 -4.82 117.44 119.07 3i9d n TRP 18 Ca 0.10 0.43 0.07 0.00 -1.31 0.00 0.00 57.50 56.79 3i9d n TRP 18 Cb 0.52 -1.69 0.25 0.00 -2.01 0.00 0.00 31.31 28.37 3i9d n TRP 18 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 3i9d n GLU 19 N 1.46 2.73 -3.49 -0.99 2.13 -1.26 -4.76 120.64 116.46 3i9d n GLU 19 Ca 0.08 -1.96 0.02 0.00 0.66 0.00 0.00 57.16 55.95 3i9d n GLU 19 Cb 0.48 -1.62 -0.05 0.00 0.27 0.00 0.00 31.44 30.51 3i9d n GLU 19 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3i9d s SER 20 N -0.84 -0.24 -0.03 4.31 0.15 -1.26 -3.60 113.70 112.19 3i9d s SER 20 Ca 0.35 0.36 -0.01 0.00 0.70 0.00 0.00 55.95 57.35 3i9d s SER 20 Cb 0.22 1.18 0.02 0.00 -1.71 0.00 0.00 66.02 65.73 3i9d s SER 20 CO 0.19 -0.05 0.06 0.00 1.20 0.00 0.00 173.24 174.64 3i9d s ARG 21 N 1.60 0.03 -0.30 5.44 3.03 -0.96 -4.96 118.95 122.82 3i9d s ARG 21 Ca -0.05 0.16 -0.16 0.00 2.03 0.00 0.00 55.73 57.71 3i9d s ARG 21 Cb -0.03 -0.10 0.22 0.00 -1.03 0.00 0.00 34.95 34.01 3i9d s ARG 21 CO -0.14 -0.09 1.29 1.67 -1.13 0.00 0.00 175.30 176.91 3i9d s TRP 22 N 0.59 -0.01 0.90 5.89 1.48 -1.26 -3.77 118.94 122.75 3i9d s TRP 22 Ca -0.05 0.02 -0.11 0.00 -1.06 0.00 0.00 56.10 54.91 3i9d s TRP 22 Cb -0.07 0.01 0.13 0.00 -1.16 0.00 0.00 33.47 32.39 3i9d s TRP 22 CO -0.02 -0.01 1.12 -0.47 -4.06 0.00 0.00 176.95 173.51 3i9d s TYR 23 N 1.06 1.91 -0.27 1.66 5.04 -1.26 -5.03 117.35 120.45 3i9d s TYR 23 Ca -0.08 1.63 -0.21 0.00 -2.44 0.00 0.00 57.07 55.97 3i9d s TYR 23 Cb -0.02 -3.23 0.08 0.00 0.35 0.00 0.00 41.96 39.14 3i9d s TYR 23 CO -0.10 -2.61 0.72 0.00 -1.34 0.00 0.00 175.55 172.22 3i9d s ALA 24 N -2.72 -1.83 0.39 3.97 0.00 -1.26 -5.00 121.76 115.30 3i9d s ALA 24 Ca 0.65 2.19 -0.24 0.00 0.00 0.00 0.00 51.96 54.56 3i9d s ALA 24 Cb -0.21 -1.29 -0.09 0.00 0.00 0.00 0.00 23.12 21.53 3i9d s ALA 24 CO 0.58 -0.35 1.04 0.20 0.00 0.00 0.00 175.76 177.23 3i9d s GLY 25 N 0.89 2.74 0.62 0.00 0.00 -1.26 -4.70 107.32 105.61 3i9d s GLY 25 Ca -0.04 0.69 0.27 0.00 0.00 0.00 0.00 44.72 45.65 3i9d s GLY 25 CO -0.08 1.13 1.80 0.07 0.00 0.00 0.00 173.10 176.02 3i9d h LYS 26 N 2.57 0.00 -0.73 2.90 2.10 -2.01 0.89 116.57 122.29 3i9d h LYS 26 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3i9d h LYS 26 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3i9d h LYS 26 CO 0.63 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.71 3i9d n LYS 27 N -3.37 2.80 0.01 0.07 5.02 -1.26 -4.60 118.16 116.83 3i9d n LYS 27 Ca 0.06 -2.68 -0.01 0.00 -2.02 0.00 0.00 58.31 53.66 3i9d n LYS 27 Cb 0.69 -1.59 -0.00 0.00 -0.02 0.00 0.00 35.03 34.11 3i9d n LYS 27 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3i9d n GLN 28 N 1.62 0.05 0.00 1.97 1.13 0.30 -4.87 117.38 117.57 3i9d n GLN 28 Ca 0.25 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.32 3i9d n GLN 28 Cb 0.64 -0.36 0.00 0.00 0.11 0.00 0.00 30.24 30.63 3i9d n GLN 28 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 3i9d n TYR 29 N -3.04 0.00 0.09 1.08 -0.00 -0.50 -0.82 117.16 113.96 3i9d n TYR 29 Ca -0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.75 3i9d n TYR 29 Cb 0.05 -0.38 -0.07 0.00 -0.00 0.00 0.00 39.34 38.94 3i9d n TYR 29 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 3i9d h ARG 30 N 0.00 -0.58 -0.41 2.98 2.43 -1.87 0.39 114.38 117.32 3i9d h ARG 30 Ca 0.00 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3i9d h ARG 30 Cb 0.00 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 3i9d h ARG 30 CO 0.00 -0.39 0.24 0.45 -1.51 0.00 0.00 179.97 178.76 3i9d h HIS 31 N -0.60 0.44 0.01 2.20 3.86 -1.34 0.44 115.15 120.16 3i9d h HIS 31 Ca 0.04 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3i9d h HIS 31 Cb 0.66 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 3i9d h HIS 31 CO -0.38 0.25 -0.05 -0.07 0.86 0.00 0.00 177.93 178.54 3i9d h LEU 32 N 0.48 -0.13 -1.68 2.43 3.38 -1.55 -0.74 115.31 117.50 3i9d h LEU 32 Ca 0.17 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.16 3i9d h LEU 32 Cb 0.02 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3i9d h LEU 32 CO -0.08 -0.07 0.22 0.25 0.09 0.00 0.00 178.44 178.85 3i9d h LEU 33 N -0.09 0.37 -0.48 1.67 5.85 -0.63 -1.12 115.31 120.89 3i9d h LEU 33 Ca 0.02 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 3i9d h LEU 33 Cb 0.11 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3i9d h LEU 33 CO -0.04 0.27 -0.22 0.25 -0.34 0.00 0.00 178.44 178.35 3i9d h LEU 34 N 0.44 1.03 0.39 2.25 6.46 -0.26 -2.94 115.31 122.69 3i9d h LEU 34 Ca 0.13 -0.40 -0.02 0.00 -0.12 0.00 0.00 57.88 57.47 3i9d h LEU 34 Cb -0.03 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 39.62 3i9d h LEU 34 CO -0.03 1.20 -0.25 -0.08 -0.62 0.00 0.00 178.44 178.67 3i9d h GLU 35 N 0.86 -0.58 -1.10 1.25 4.57 0.05 -0.83 114.58 118.79 3i9d h GLU 35 Ca 0.11 0.04 0.41 0.00 -1.18 0.00 0.00 59.36 58.74 3i9d h GLU 35 Cb 0.80 0.13 -0.15 0.00 -0.16 0.00 0.00 28.75 29.38 3i9d h GLU 35 CO 0.07 -0.39 0.66 -0.25 -1.18 0.00 0.00 179.01 177.92 3i9d n ASP 36 N -3.84 0.26 -0.01 1.04 10.43 -0.69 0.18 116.55 123.91 3i9d n ASP 36 Ca -0.07 1.40 -0.13 0.00 2.57 0.00 0.00 54.79 58.56 3i9d n ASP 36 Cb 0.25 -0.69 -0.10 0.00 1.84 0.00 0.00 41.12 42.43 3i9d n ASP 36 CO 0.00 0.00 0.00 1.56 -1.07 0.00 0.00 177.20 177.69 3i9d h GLN 37 N 0.00 -0.05 -0.74 -1.24 1.08 -1.26 0.45 115.11 113.36 3i9d h GLN 37 Ca 0.80 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 58.04 3i9d h GLN 37 Cb 2.35 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 29.75 3i9d h GLN 37 CO -0.57 0.52 0.49 0.00 -0.95 0.00 0.00 178.83 178.32 3i9d h ARG 38 N -0.67 0.86 0.57 1.46 3.08 0.30 0.96 114.38 120.95 3i9d h ARG 38 Ca -0.01 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3i9d h ARG 38 Cb 0.60 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 30.46 3i9d h ARG 38 CO 0.01 0.57 -0.28 0.82 -1.07 0.00 0.00 179.97 180.02 3i9d h ILE 39 N 0.89 0.00 -0.04 2.04 2.04 0.20 -1.76 117.51 120.88 3i9d h ILE 39 Ca 0.29 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.17 3i9d h ILE 39 Cb 0.06 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.14 3i9d h ILE 39 CO -0.09 0.00 0.13 0.03 0.00 0.00 0.00 178.15 178.22 3i9d h ARG 40 N -0.77 0.00 0.00 2.37 3.08 0.38 0.03 114.38 119.46 3i9d h ARG 40 Ca -0.08 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 3i9d h ARG 40 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 3i9d h ARG 40 CO 0.13 0.00 -0.24 0.78 -1.07 0.00 0.00 179.97 179.57 3i9d h GLY 41 N 0.00 0.00 0.19 0.04 0.00 0.18 -2.52 103.07 100.96 3i9d h GLY 41 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.97 3i9d h GLY 41 CO -0.00 0.00 -2.19 -0.10 0.00 0.00 0.00 176.54 174.25 3i9d n LEU 42 N -3.43 2.56 0.33 3.11 7.94 -0.03 -4.03 117.00 123.45 3i9d n LEU 42 Ca -0.00 0.12 -0.14 0.00 -1.11 0.00 0.00 56.01 54.88 3i9d n LEU 42 Cb 0.43 -0.97 -0.07 0.00 0.53 0.00 0.00 43.42 43.34 3i9d n LEU 42 CO 0.34 0.77 0.38 -0.07 -1.11 0.00 0.00 177.39 177.70 3i9d h LEU 43 N -0.27 -0.74 -1.60 -1.96 3.38 -1.60 -2.93 115.31 109.59 3i9d h LEU 43 Ca -0.52 0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.50 3i9d h LEU 43 Cb 1.82 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.75 3i9d h LEU 43 CO -0.11 -0.35 0.53 -0.33 0.09 0.00 0.00 178.44 178.27 3i9d h GLU 44 N -1.20 0.00 0.00 1.13 5.08 -1.70 0.48 114.58 118.37 3i9d h GLU 44 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3i9d h GLU 44 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3i9d h GLU 44 CO 0.15 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.33 3i9d n LYS 45 N -3.03 0.00 -0.33 2.33 4.81 -1.12 -4.21 118.16 116.60 3i9d n LYS 45 Ca 0.02 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.48 3i9d n LYS 45 Cb 0.62 -0.11 0.20 0.00 0.02 0.00 0.00 35.03 35.75 3i9d n LYS 45 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3i9d h GLU 46 N 0.00 1.10 -1.35 1.64 5.08 -1.49 -2.60 114.58 116.96 3i9d h GLU 46 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3i9d h GLU 46 Cb 0.00 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.00 3i9d h GLU 46 CO 0.00 0.73 0.00 -0.11 -1.00 0.00 0.00 179.01 178.63 3i9d n LEU 47 N -4.47 2.06 -0.10 1.33 7.94 0.17 -2.62 117.00 121.31 3i9d n LEU 47 Ca 0.14 -1.03 -0.13 0.00 -1.11 0.00 0.00 56.01 53.88 3i9d n LEU 47 Cb 0.15 -0.35 -0.15 0.00 0.53 0.00 0.00 43.42 43.60 3i9d n LEU 47 CO 0.34 0.35 -1.18 0.00 -1.11 0.00 0.00 177.39 175.78 3i9d n TYR 48 N 0.70 0.08 0.26 1.96 9.36 -0.98 -3.93 117.16 124.60 3i9d n TYR 48 Ca 0.00 0.02 0.16 0.00 3.32 0.00 0.00 57.90 61.40 3i9d n TYR 48 Cb 0.34 -1.01 0.73 0.00 -0.63 0.00 0.00 39.34 38.76 3i9d n TYR 48 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 3i9d h SER 49 N 0.00 0.00 0.37 2.98 0.02 -1.74 2.31 113.55 117.49 3i9d h SER 49 Ca -0.54 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 3i9d h SER 49 Cb 2.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.66 3i9d h SER 49 CO -0.00 0.00 -1.59 0.00 -1.14 0.00 0.00 176.83 174.09 3i9d n ALA 50 N -1.99 2.76 -2.33 3.77 0.00 -1.26 -5.05 120.51 116.42 3i9d n ALA 50 Ca 0.01 -0.41 -0.00 0.00 0.00 0.00 0.00 53.44 53.04 3i9d n ALA 50 Cb 0.52 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.09 3i9d n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9d n GLY 51 N 1.24 -3.81 0.00 0.00 0.00 0.78 -3.86 105.19 99.54 3i9d n GLY 51 Ca -0.02 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3i9d n GLY 51 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3i9d n LEU 52 N 0.47 0.00 -0.06 0.99 -0.00 -1.26 -3.13 117.00 114.01 3i9d n LEU 52 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3i9d n LEU 52 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3i9d n LEU 52 CO 0.30 -0.28 0.03 0.00 -0.00 0.00 0.00 177.39 177.44 3i9d n ALA 53 N -3.00 1.04 0.00 1.47 0.00 -0.59 -4.68 120.51 114.75 3i9d n ALA 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i9d n ALA 53 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i9d n ALA 53 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i9d n ARG 54 N 0.00 0.00 -3.28 0.00 0.63 -1.26 -4.88 116.66 107.87 3i9d n ARG 54 Ca 0.00 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.68 3i9d n ARG 54 Cb 0.46 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.29 3i9d n ARG 54 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3i9d n VAL 55 N -0.17 -0.35 -1.80 5.15 0.31 -1.26 -3.10 118.33 117.12 3i9d n VAL 55 Ca 0.00 -4.07 -0.40 0.00 -0.01 0.00 0.00 64.34 59.86 3i9d n VAL 55 Cb 0.00 -1.92 0.02 0.00 -0.91 0.00 0.00 33.84 31.02 3i9d n VAL 55 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3i9d s ASP 56 N -1.10 5.88 0.02 4.52 1.11 -1.15 -4.79 116.67 121.16 3i9d s ASP 56 Ca 0.35 2.92 0.00 0.00 0.18 0.00 0.00 52.55 56.00 3i9d s ASP 56 Cb 0.13 -2.65 -0.02 0.00 1.07 0.00 0.00 42.92 41.45 3i9d s ASP 56 CO -0.12 -1.17 -0.03 -0.63 1.18 0.00 0.00 175.17 174.40 3i9d s ILE 57 N -1.20 0.14 0.16 0.77 1.01 -1.24 -1.85 121.20 118.99 3i9d s ILE 57 Ca 0.61 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 3i9d s ILE 57 Cb -0.44 -0.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.66 3i9d s ILE 57 CO 0.56 -0.52 0.15 -1.61 0.00 0.00 0.00 174.94 173.52 3i9d s GLU 58 N -1.60 1.07 0.17 2.79 2.02 -1.25 -2.27 118.70 119.63 3i9d s GLU 58 Ca -0.14 -1.41 -0.21 0.00 0.02 0.00 0.00 54.97 53.23 3i9d s GLU 58 Cb -0.09 0.29 0.05 0.00 0.10 0.00 0.00 34.13 34.48 3i9d s GLU 58 CO -0.01 -0.35 0.57 1.03 0.02 0.00 0.00 175.26 176.52 3i9d s ARG 59 N -4.05 1.30 0.00 1.61 0.52 -1.25 -2.54 118.95 114.55 3i9d s ARG 59 Ca 0.26 -0.61 0.00 0.00 -0.52 0.00 0.00 55.73 54.86 3i9d s ARG 59 Cb 0.06 0.56 0.00 0.00 0.52 0.00 0.00 34.95 36.09 3i9d s ARG 59 CO 0.04 -0.56 0.17 0.00 0.02 0.00 0.00 175.30 174.97 3i9d n ALA 60 N -0.35 0.60 0.00 2.13 0.00 -1.26 -4.81 120.51 116.82 3i9d n ALA 60 Ca -0.15 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3i9d n ALA 60 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3i9d n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9d n ALA 61 N 0.00 0.00 -4.13 0.00 0.00 -1.26 -4.93 120.51 110.18 3i9d n ALA 61 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 3i9d n ALA 61 Cb 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 3i9d n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i9d n ASP 62 N 0.00 0.14 -3.57 0.00 9.92 -1.26 -4.92 116.55 116.87 3i9d n ASP 62 Ca 0.00 -1.12 -0.15 0.00 -0.53 0.00 0.00 54.79 52.99 3i9d n ASP 62 Cb 0.00 -1.41 -0.05 0.00 -0.64 0.00 0.00 41.12 39.02 3i9d n ASP 62 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3i9d s ASN 63 N -3.87 -0.47 -0.15 -2.24 4.22 -1.26 -2.36 114.94 108.80 3i9d s ASN 63 Ca 0.21 0.27 -0.04 0.00 -2.14 0.00 0.00 52.86 51.16 3i9d s ASN 63 Cb -0.12 0.49 0.08 0.00 1.28 0.00 0.00 41.25 42.98 3i9d s ASN 63 CO 0.89 -0.69 0.26 -0.69 -2.04 0.00 0.00 177.10 174.83 3i9d s VAL 64 N -2.19 -0.41 -1.15 3.54 1.01 -0.54 -4.03 120.40 116.63 3i9d s VAL 64 Ca -0.07 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.00 3i9d s VAL 64 Cb -0.01 -0.52 0.25 0.00 0.00 0.00 0.00 36.38 36.10 3i9d s VAL 64 CO 0.00 0.04 1.35 0.00 0.00 0.00 0.00 175.10 176.49 3i9d n ALA 65 N 5.35 4.45 -0.97 5.51 0.00 -1.05 -3.10 120.51 130.69 3i9d n ALA 65 Ca -0.06 -4.56 -0.33 0.00 0.00 0.00 0.00 53.44 48.50 3i9d n ALA 65 Cb 0.50 -2.64 0.13 0.00 0.00 0.00 0.00 19.45 17.44 3i9d n ALA 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i9d n VAL 66 N 2.95 1.24 -3.22 0.00 0.31 -1.14 -3.77 118.33 114.70 3i9d n VAL 66 Ca 0.29 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 3i9d n VAL 66 Cb 0.38 -1.02 -0.01 0.00 -0.91 0.00 0.00 33.84 32.28 3i9d n VAL 66 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3i9d s THR 67 N -2.26 -0.96 0.14 2.52 2.01 -0.77 -3.22 115.64 113.10 3i9d s THR 67 Ca 0.69 -0.06 -0.30 0.00 0.31 0.00 0.00 61.69 62.33 3i9d s THR 67 Cb -0.27 -0.10 -0.07 0.00 0.01 0.00 0.00 72.50 72.07 3i9d s THR 67 CO 0.56 -0.04 0.97 -0.69 -0.69 0.00 0.00 174.62 174.73 3i9d s VAL 68 N 1.88 4.35 -0.48 3.82 1.01 -1.22 -2.96 120.40 126.80 3i9d s VAL 68 Ca 0.16 2.03 -0.01 0.00 0.00 0.00 0.00 61.98 64.16 3i9d s VAL 68 Cb -0.05 -4.30 0.13 0.00 0.00 0.00 0.00 36.38 32.16 3i9d s VAL 68 CO -0.08 0.35 0.27 -1.00 0.00 0.00 0.00 175.10 174.64 3i9d s HIS 69 N -0.25 3.50 0.32 5.22 3.76 -1.18 0.74 115.29 127.40 3i9d s HIS 69 Ca 0.46 -2.69 0.07 0.00 -0.15 0.00 0.00 55.06 52.75 3i9d s HIS 69 Cb -0.24 -3.13 -0.03 0.00 1.11 0.00 0.00 32.58 30.29 3i9d s HIS 69 CO 0.31 -0.90 0.27 0.08 -0.85 0.00 0.00 174.74 173.65 3i9d s VAL 70 N 0.53 3.66 -0.11 -0.90 1.01 0.12 -1.54 120.40 123.17 3i9d s VAL 70 Ca 0.13 -1.39 0.16 0.00 0.00 0.00 0.00 61.98 60.88 3i9d s VAL 70 Cb -0.22 -3.21 -0.17 0.00 0.00 0.00 0.00 36.38 32.78 3i9d s VAL 70 CO -0.04 -0.20 0.71 0.00 0.00 0.00 0.00 175.10 175.57 3i9d n ALA 71 N -1.33 1.85 -3.88 5.51 0.00 -1.19 -0.95 120.51 120.51 3i9d n ALA 71 Ca -0.03 -0.66 -0.29 0.00 0.00 0.00 0.00 53.44 52.46 3i9d n ALA 71 Cb 0.59 -0.86 -0.12 0.00 0.00 0.00 0.00 19.45 19.07 3i9d n ALA 71 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i9d s LYS 72 N -2.85 2.43 0.58 0.00 1.02 -1.25 -4.64 119.74 115.03 3i9d s LYS 72 Ca -0.04 -3.17 0.37 0.00 0.02 0.00 0.00 55.97 53.15 3i9d s LYS 72 Cb 0.09 -3.46 1.68 0.00 -0.52 0.00 0.00 37.83 35.62 3i9d s LYS 72 CO 0.82 -1.24 2.09 -1.00 -0.92 0.00 0.00 175.35 175.10 3i9d h PRO 73 N 5.73 0.00 -0.53 -1.68 0.13 -1.89 -3.20 132.00 130.56 3i9d h PRO 73 Ca 0.09 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.10 3i9d h PRO 73 Cb 0.79 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 3i9d h PRO 73 CO 0.72 0.00 -0.13 0.78 -0.23 0.00 0.00 178.00 179.14 3i9d h GLY 74 N 1.40 1.10 2.00 1.56 0.00 -1.98 -3.11 103.07 104.04 3i9d h GLY 74 Ca 0.00 -0.90 -0.02 0.00 0.00 0.00 0.00 47.33 46.40 3i9d h GLY 74 CO 0.00 0.83 -0.11 -2.08 0.00 0.00 0.00 176.54 175.18 3i9d h VAL 75 N 0.89 0.38 0.00 4.60 2.07 -1.96 -2.33 116.25 119.90 3i9d h VAL 75 Ca 0.13 -0.61 -0.11 0.00 0.82 0.00 0.00 66.70 66.93 3i9d h VAL 75 Cb 0.70 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 3i9d h VAL 75 CO 0.05 0.10 -0.71 -0.37 0.02 0.00 0.00 177.57 176.67 3i9d h VAL 76 N 0.00 0.74 0.26 2.57 -1.51 -1.70 -3.36 116.25 113.24 3i9d h VAL 76 Ca -0.00 -2.11 -0.01 0.00 -1.23 0.00 0.00 66.70 63.35 3i9d h VAL 76 Cb 0.43 2.30 0.00 0.00 -2.13 0.00 0.00 31.29 31.89 3i9d h VAL 76 CO 0.01 0.42 -0.12 0.40 -1.23 0.00 0.00 177.57 177.05 3i9d h ILE 77 N 0.00 0.08 -0.58 7.19 2.04 -1.40 -1.65 117.51 123.19 3i9d h ILE 77 Ca -0.04 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.04 3i9d h ILE 77 Cb 1.41 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3i9d h ILE 77 CO 0.06 0.02 0.00 0.61 0.00 0.00 0.00 178.15 178.84 3i9d n GLY 78 N 0.86 0.88 1.90 5.37 0.00 -1.07 0.15 105.19 113.28 3i9d n GLY 78 Ca -0.05 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3i9d n GLY 78 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i9d n ARG 79 N -0.29 -0.16 0.00 1.61 1.85 -1.26 -2.36 116.66 116.04 3i9d n ARG 79 Ca 0.00 0.41 0.00 0.00 -1.00 0.00 0.00 57.85 57.26 3i9d n ARG 79 Cb 0.10 -0.51 0.00 0.00 -1.05 0.00 0.00 32.46 31.00 3i9d n ARG 79 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i9d n GLY 80 N 0.97 2.18 0.00 2.89 0.00 -1.26 -4.36 105.19 105.61 3i9d n GLY 80 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3i9d n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9d n GLY 81 N 0.00 0.00 0.01 -0.02 0.00 -1.21 -5.08 105.19 98.90 3i9d n GLY 81 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i9d n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i9d h GLU 82 N 0.00 0.00 0.00 1.61 4.39 -1.54 -3.31 114.58 115.73 3i9d h GLU 82 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3i9d h GLU 82 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3i9d h GLU 82 CO 0.00 0.00 0.00 -2.13 -1.16 0.00 0.00 179.01 175.72 3i9d n ARG 83 N -2.60 0.00 -0.31 2.33 3.00 -0.70 -1.17 116.66 117.22 3i9d n ARG 83 Ca -0.01 0.70 0.35 0.00 -0.00 0.00 0.00 57.85 58.89 3i9d n ARG 83 Cb 0.02 -1.38 0.75 0.00 0.00 0.00 0.00 32.46 31.85 3i9d n ARG 83 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 3i9d h ILE 84 N 0.00 0.40 0.01 5.15 2.10 0.23 -2.15 117.51 123.26 3i9d h ILE 84 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.93 3i9d h ILE 84 Cb 0.00 0.41 0.00 0.00 -1.09 0.00 0.00 36.82 36.14 3i9d h ILE 84 CO 0.00 0.00 -0.06 -0.09 -1.08 0.00 0.00 178.15 176.92 3i9d h ARG 85 N 0.00 0.02 -0.03 2.19 9.65 -1.50 -3.09 114.38 121.62 3i9d h ARG 85 Ca 0.55 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 59.41 3i9d h ARG 85 Cb 2.25 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 30.84 3i9d h ARG 85 CO -0.01 0.97 0.10 -0.39 2.80 0.00 0.00 179.97 183.44 3i9d h VAL 86 N -0.90 0.17 0.19 0.20 -1.51 -0.48 -1.66 116.25 112.25 3i9d h VAL 86 Ca -0.01 0.00 -0.29 0.00 -1.23 0.00 0.00 66.70 65.17 3i9d h VAL 86 Cb 0.99 0.91 0.03 0.00 -2.13 0.00 0.00 31.29 31.09 3i9d h VAL 86 CO 0.01 0.00 -1.25 -0.07 -1.23 0.00 0.00 177.57 175.03 3i9d h LEU 87 N 0.00 0.77 -0.84 4.19 3.38 -1.55 -2.94 115.31 118.32 3i9d h LEU 87 Ca 0.02 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.09 3i9d h LEU 87 Cb 0.22 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3i9d h LEU 87 CO -0.00 1.61 0.11 0.54 0.09 0.00 0.00 178.44 180.79 3i9d n ARG 88 N -3.84 0.08 -0.01 1.13 1.74 -0.63 -1.32 116.66 113.81 3i9d n ARG 88 Ca -0.15 0.55 -0.00 0.00 -0.77 0.00 0.00 57.85 57.48 3i9d n ARG 88 Cb 1.00 -1.88 -0.00 0.00 -1.02 0.00 0.00 32.46 30.56 3i9d n ARG 88 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3i9d h GLU 89 N 0.00 0.00 -0.93 5.56 4.57 -1.45 -3.26 114.58 119.07 3i9d h GLU 89 Ca 0.00 0.00 0.27 0.00 -1.18 0.00 0.00 59.36 58.45 3i9d h GLU 89 Cb 0.22 0.00 -0.16 0.00 -0.16 0.00 0.00 28.75 28.66 3i9d h GLU 89 CO 0.00 0.00 0.21 0.93 -1.18 0.00 0.00 179.01 178.97 3i9d h GLU 90 N -0.28 0.12 -0.27 1.92 4.39 -1.04 0.87 114.58 120.29 3i9d h GLU 90 Ca 0.00 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 3i9d h GLU 90 Cb 0.00 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 3i9d h GLU 90 CO 0.00 0.08 -0.05 -0.07 -1.16 0.00 0.00 179.01 177.81 3i9d h LEU 91 N 0.12 0.40 -0.46 1.33 3.38 -1.50 -2.63 115.31 115.94 3i9d h LEU 91 Ca 0.60 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.50 3i9d h LEU 91 Cb 1.29 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3i9d h LEU 91 CO -0.75 0.50 -0.75 0.00 0.09 0.00 0.00 178.44 177.53 3i9d n ALA 92 N -2.48 4.19 0.03 1.53 0.00 0.51 -3.81 120.51 120.48 3i9d n ALA 92 Ca 0.01 -0.62 -0.12 0.00 0.00 0.00 0.00 53.44 52.71 3i9d n ALA 92 Cb 0.25 -0.77 -0.09 0.00 0.00 0.00 0.00 19.45 18.84 3i9d n ALA 92 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3i9d h LYS 93 N 1.12 -0.14 -0.75 0.00 3.64 0.95 -3.09 116.57 118.31 3i9d h LYS 93 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3i9d h LYS 93 Cb 0.61 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3i9d h LYS 93 CO 0.00 0.35 0.00 1.47 -2.27 0.00 0.00 179.45 179.00 3i9d n LEU 94 N -4.89 2.70 0.00 5.20 -0.00 -1.05 -4.85 117.00 114.11 3i9d n LEU 94 Ca -0.08 -1.37 0.00 0.00 -0.00 0.00 0.00 56.01 54.56 3i9d n LEU 94 Cb 0.28 -0.52 0.00 0.00 -0.00 0.00 0.00 43.42 43.18 3i9d n LEU 94 CO 0.29 0.40 0.00 0.41 -0.00 0.00 0.00 177.39 178.49 3i9d n THR 95 N 0.27 0.00 -2.40 1.47 -1.04 -1.17 -5.08 114.28 106.34 3i9d n THR 95 Ca 0.11 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.08 3i9d n THR 95 Cb 0.57 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 69.13 3i9d n THR 95 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i9d n GLY 96 N 0.04 1.39 3.24 3.41 0.00 -1.26 -4.87 105.19 107.14 3i9d n GLY 96 Ca 0.00 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 3i9d n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9d s LYS 97 N -0.03 1.07 -0.16 1.61 1.02 -1.26 -4.97 119.74 117.03 3i9d s LYS 97 Ca 0.06 -1.49 -0.29 0.00 0.02 0.00 0.00 55.97 54.28 3i9d s LYS 97 Cb 0.26 -0.44 -0.05 0.00 -0.52 0.00 0.00 37.83 37.08 3i9d s LYS 97 CO -0.08 -0.03 2.01 -0.80 -0.92 0.00 0.00 175.35 175.54 3i9d s ASN 98 N -3.17 5.91 -1.15 2.83 0.01 -0.99 -4.77 114.94 113.62 3i9d s ASN 98 Ca 0.19 2.00 -0.05 0.00 -0.71 0.00 0.00 52.86 54.30 3i9d s ASN 98 Cb 0.05 -2.52 0.26 0.00 0.41 0.00 0.00 41.25 39.44 3i9d s ASN 98 CO 0.02 -1.58 1.75 1.33 -1.51 0.00 0.00 177.10 177.10 3i9d n VAL 99 N 6.91 5.25 -2.18 1.60 0.24 -1.26 -1.47 118.33 127.41 3i9d n VAL 99 Ca 0.25 -5.41 -0.38 0.00 -2.04 0.00 0.00 64.34 56.76 3i9d n VAL 99 Cb 0.44 -2.04 -0.03 0.00 -1.47 0.00 0.00 33.84 30.74 3i9d n VAL 99 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i9d s ALA 100 N -2.16 2.29 0.21 2.33 0.00 -1.18 -4.91 121.76 118.35 3i9d s ALA 100 Ca 0.37 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 3i9d s ALA 100 Cb 0.10 -4.32 -0.04 0.00 0.00 0.00 0.00 23.12 18.86 3i9d s ALA 100 CO 0.02 -3.81 0.41 -1.17 0.00 0.00 0.00 175.76 171.21 3i9d s LEU 101 N 8.19 4.21 0.27 0.00 0.20 -1.26 -2.90 118.68 127.39 3i9d s LEU 101 Ca 0.59 0.43 0.03 0.00 0.69 0.00 0.00 54.13 55.87 3i9d s LEU 101 Cb -0.11 -3.21 -0.04 0.00 -0.43 0.00 0.00 46.19 42.41 3i9d s LEU 101 CO 0.17 -0.06 0.17 0.20 -0.29 0.00 0.00 176.35 176.54 3i9d s ASN 102 N -3.16 1.09 -0.32 3.68 0.01 -1.20 -4.99 114.94 110.05 3i9d s ASN 102 Ca 0.39 -1.54 -0.00 0.00 -0.71 0.00 0.00 52.86 51.00 3i9d s ASN 102 Cb -0.11 0.41 0.13 0.00 0.41 0.00 0.00 41.25 42.09 3i9d s ASN 102 CO 0.29 -0.90 0.27 -0.69 -1.51 0.00 0.00 177.10 174.56 3i9d s VAL 103 N -3.76 -0.24 0.26 1.60 1.01 -1.26 -3.43 120.40 114.57 3i9d s VAL 103 Ca 0.38 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 61.30 3i9d s VAL 103 Cb 0.05 -0.93 -0.09 0.00 0.00 0.00 0.00 36.38 35.41 3i9d s VAL 103 CO 0.18 -0.62 0.84 -1.10 0.00 0.00 0.00 175.10 174.39 3i9d s GLN 104 N 1.92 4.47 0.74 2.72 -1.52 0.23 -4.96 119.66 123.25 3i9d s GLN 104 Ca 0.12 1.14 0.00 0.00 -1.95 0.00 0.00 55.36 54.67 3i9d s GLN 104 Cb -0.16 -2.92 0.14 0.00 -0.22 0.00 0.00 33.01 29.86 3i9d s GLN 104 CO -0.23 0.38 1.01 -2.00 -0.25 0.00 0.00 175.29 174.20 3i9d s GLU 105 N -1.86 1.56 -0.35 2.91 2.12 -1.26 -0.70 118.70 121.13 3i9d s GLU 105 Ca 0.45 -1.28 -0.00 0.00 0.36 0.00 0.00 54.97 54.49 3i9d s GLU 105 Cb -0.19 -2.34 0.11 0.00 0.26 0.00 0.00 34.13 31.97 3i9d s GLU 105 CO 0.23 -1.53 0.15 0.08 -0.54 0.00 0.00 175.26 173.65 3i9d s VAL 106 N -3.16 0.78 0.12 3.70 1.01 -0.13 -4.53 120.40 118.19 3i9d s VAL 106 Ca 0.68 -1.65 -0.23 0.00 0.00 0.00 0.00 61.98 60.78 3i9d s VAL 106 Cb -0.04 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 3i9d s VAL 106 CO 0.45 -0.78 1.23 0.00 0.00 0.00 0.00 175.10 175.99 3i9d n GLN 107 N 4.46 -0.33 -3.82 2.72 3.00 -1.26 -3.41 117.38 118.74 3i9d n GLN 107 Ca 0.02 1.20 -0.30 0.00 -0.01 0.00 0.00 57.00 57.92 3i9d n GLN 107 Cb 0.39 -1.77 -0.15 0.00 0.00 0.00 0.00 30.24 28.71 3i9d n GLN 107 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 3i9d s ASN 108 N -5.19 4.18 0.57 1.08 3.84 -1.26 -4.98 114.94 113.19 3i9d s ASN 108 Ca -0.09 -1.99 0.26 0.00 0.21 0.00 0.00 52.86 51.25 3i9d s ASN 108 Cb 0.08 -1.13 1.63 0.00 -0.55 0.00 0.00 41.25 41.28 3i9d s ASN 108 CO 0.46 -0.38 2.17 1.55 -2.79 0.00 0.00 177.10 178.12 3i9d h PRO 109 N 7.68 0.00 0.00 0.43 0.13 -1.95 0.04 132.00 138.33 3i9d h PRO 109 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 3i9d h PRO 109 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3i9d h PRO 109 CO 0.49 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.35 3i9d n ASN 110 N -4.00 0.39 -0.85 1.44 3.02 -1.26 -2.20 115.26 111.79 3i9d n ASN 110 Ca -0.01 0.57 0.11 0.00 -0.03 0.00 0.00 54.58 55.22 3i9d n ASN 110 Cb 0.20 -0.66 0.29 0.00 -0.61 0.00 0.00 39.78 38.99 3i9d n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3i9d n LEU 111 N -1.90 2.54 -4.44 3.41 4.77 0.00 -4.54 117.00 116.84 3i9d n LEU 111 Ca 0.04 -1.09 -0.35 0.00 -0.03 0.00 0.00 56.01 54.58 3i9d n LEU 111 Cb 0.27 -0.19 -0.13 0.00 -2.33 0.00 0.00 43.42 41.05 3i9d n LEU 111 CO 0.21 0.55 -0.33 -0.55 -1.33 0.00 0.00 177.39 175.94 3i9d s SER 112 N -1.49 4.82 0.04 -1.43 0.15 -0.94 -5.03 113.70 109.82 3i9d s SER 112 Ca 0.35 -0.22 -0.30 0.00 0.70 0.00 0.00 55.95 56.49 3i9d s SER 112 Cb 0.20 -1.83 -0.16 0.00 -1.71 0.00 0.00 66.02 62.51 3i9d s SER 112 CO 0.28 0.05 1.31 0.00 1.20 0.00 0.00 173.24 176.08 3i9d h ALA 113 N 7.61 -1.16 0.00 5.45 0.00 -1.86 -2.65 119.26 126.64 3i9d h ALA 113 Ca -0.37 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3i9d h ALA 113 Cb 1.18 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3i9d h ALA 113 CO 0.61 -1.08 0.00 -2.30 0.00 0.00 0.00 179.25 176.48 3i9d n PRO 114 N -5.18 0.00 -0.06 0.00 -0.02 -1.26 -1.65 135.00 126.83 3i9d n PRO 114 Ca -0.13 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.28 3i9d n PRO 114 Cb 0.42 -1.47 -0.02 0.00 -0.02 0.00 0.00 33.50 32.41 3i9d n PRO 114 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i9d n LEU 115 N -0.81 1.39 -0.37 2.45 4.77 -1.05 -3.99 117.00 119.39 3i9d n LEU 115 Ca 0.00 0.25 0.31 0.00 -0.03 0.00 0.00 56.01 56.54 3i9d n LEU 115 Cb 0.00 -0.68 0.61 0.00 -2.33 0.00 0.00 43.42 41.02 3i9d n LEU 115 CO 0.00 -0.34 1.26 0.58 -1.33 0.00 0.00 177.39 177.55 3i9d h VAL 116 N -0.72 0.36 0.43 4.08 2.07 -0.98 0.94 116.25 122.43 3i9d h VAL 116 Ca 0.00 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3i9d h VAL 116 Cb 0.70 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3i9d h VAL 116 CO 0.00 0.04 -0.21 0.00 0.02 0.00 0.00 177.57 177.42 3i9d h ALA 117 N 1.55 -0.58 -0.73 1.67 0.00 -1.67 0.18 119.26 119.68 3i9d h ALA 117 Ca 0.67 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.47 3i9d h ALA 117 Cb 2.06 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 20.03 3i9d h ALA 117 CO -0.26 -0.72 0.48 1.96 0.00 0.00 0.00 179.25 180.71 3i9d h GLN 118 N -0.79 0.71 0.40 0.00 4.20 -1.04 0.46 115.11 119.04 3i9d h GLN 118 Ca -0.06 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 3i9d h GLN 118 Cb 0.54 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3i9d h GLN 118 CO 0.10 0.47 -0.19 -0.09 -0.67 0.00 0.00 178.83 178.44 3i9d h ARG 119 N 0.73 -0.51 -0.27 1.46 2.43 -0.82 -2.47 114.38 114.92 3i9d h ARG 119 Ca 0.32 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.52 3i9d h ARG 119 Cb 0.31 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3i9d h ARG 119 CO -0.11 -0.23 0.15 0.28 -1.51 0.00 0.00 179.97 178.55 3i9d h VAL 120 N -0.75 1.12 -0.77 0.20 2.07 -0.17 -1.63 116.25 116.32 3i9d h VAL 120 Ca -0.05 -0.30 0.11 0.00 0.82 0.00 0.00 66.70 67.27 3i9d h VAL 120 Cb 0.52 0.83 -0.12 0.00 -1.52 0.00 0.00 31.29 30.99 3i9d h VAL 120 CO 0.09 0.12 -0.44 0.00 0.02 0.00 0.00 177.57 177.35 3i9d h ALA 121 N 1.03 -0.21 -0.74 1.67 0.00 -0.08 0.54 119.26 121.48 3i9d h ALA 121 Ca 0.10 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.18 3i9d h ALA 121 Cb 0.05 1.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 3i9d h ALA 121 CO -0.02 -0.78 0.48 0.93 0.00 0.00 0.00 179.25 179.86 3i9d h GLU 122 N -0.12 0.95 -1.06 0.00 5.08 -1.18 -1.13 114.58 117.12 3i9d h GLU 122 Ca 0.23 -0.06 0.29 0.00 -1.00 0.00 0.00 59.36 58.82 3i9d h GLU 122 Cb 0.55 -0.21 -0.07 0.00 0.50 0.00 0.00 28.75 29.51 3i9d h GLU 122 CO -0.82 0.63 0.72 1.96 -1.00 0.00 0.00 179.01 180.50 3i9d h GLN 123 N 0.98 0.20 0.05 2.33 4.20 0.10 0.11 115.11 123.09 3i9d h GLN 123 Ca 0.28 -0.01 -0.21 0.00 0.06 0.00 0.00 58.65 58.77 3i9d h GLN 123 Cb -0.08 -0.05 0.02 0.00 0.30 0.00 0.00 27.48 27.67 3i9d h GLN 123 CO -0.07 0.13 -0.84 0.82 -0.67 0.00 0.00 178.83 178.20 3i9d h ILE 124 N 0.21 1.40 0.00 2.54 2.04 -0.03 -3.11 117.51 120.55 3i9d h ILE 124 Ca 0.55 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 64.14 3i9d h ILE 124 Cb 1.77 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 40.56 3i9d h ILE 124 CO -0.15 0.67 0.00 -0.62 0.00 0.00 0.00 178.15 178.05 3i9d n GLU 125 N -4.07 0.54 -1.01 2.37 1.02 0.38 -2.67 120.64 117.21 3i9d n GLU 125 Ca -0.12 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.00 3i9d n GLU 125 Cb 0.80 -1.23 -0.03 0.00 -0.02 0.00 0.00 31.44 30.96 3i9d n GLU 125 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3i9d n ARG 126 N 0.84 0.00 -3.02 3.49 1.74 -1.19 -5.02 116.66 113.49 3i9d n ARG 126 Ca 0.00 -1.11 -0.22 0.00 -0.77 0.00 0.00 57.85 55.75 3i9d n ARG 126 Cb 0.27 0.19 0.04 0.00 -1.02 0.00 0.00 32.46 31.94 3i9d n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i9d n ARG 127 N 0.13 -4.93 -3.52 5.56 3.00 -1.09 -5.00 116.66 110.81 3i9d n ARG 127 Ca -0.12 0.89 -0.30 0.00 -0.01 0.00 0.00 57.85 58.32 3i9d n ARG 127 Cb 0.79 -5.72 -0.04 0.00 0.00 0.00 0.00 32.46 27.49 3i9d n ARG 127 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3i9d s PHE 128 N -3.18 3.47 -0.85 -1.55 0.40 -1.17 -4.96 117.98 110.15 3i9d s PHE 128 Ca 0.31 0.58 -0.23 0.00 -0.60 0.00 0.00 56.93 56.99 3i9d s PHE 128 Cb -0.14 -2.04 -0.18 0.00 0.51 0.00 0.00 43.02 41.17 3i9d s PHE 128 CO 0.38 0.30 2.27 0.00 0.70 0.00 0.00 175.22 178.87 3i9d n ALA 129 N -0.48 0.40 0.12 5.36 0.00 -1.26 -4.69 120.51 119.96 3i9d n ALA 129 Ca -0.02 -1.49 0.16 0.00 0.00 0.00 0.00 53.44 52.09 3i9d n ALA 129 Cb 0.53 -3.09 0.46 0.00 0.00 0.00 0.00 19.45 17.35 3i9d n ALA 129 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i9d h VAL 130 N 7.38 0.08 0.14 0.00 2.07 -1.92 1.06 116.25 125.05 3i9d h VAL 130 Ca 0.00 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.23 3i9d h VAL 130 Cb 1.02 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3i9d h VAL 130 CO 1.07 0.00 -1.50 -0.09 0.02 0.00 0.00 177.57 177.07 3i9d h ARG 131 N 0.00 0.29 -0.26 1.57 2.43 -2.01 -3.28 114.38 113.12 3i9d h ARG 131 Ca 0.19 -0.50 -0.09 0.00 -0.81 0.00 0.00 59.98 58.77 3i9d h ARG 131 Cb 1.81 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 31.54 3i9d h ARG 131 CO -0.00 1.24 -0.17 -0.09 -1.51 0.00 0.00 179.97 179.43 3i9d h ARG 132 N -0.18 0.58 -0.78 0.20 2.43 0.44 -3.11 114.38 113.96 3i9d h ARG 132 Ca -0.31 -0.28 0.14 0.00 -0.81 0.00 0.00 59.98 58.72 3i9d h ARG 132 Cb 1.86 -0.01 -0.14 0.00 -0.42 0.00 0.00 29.97 31.26 3i9d h ARG 132 CO 0.10 0.85 -0.30 0.00 -1.51 0.00 0.00 179.97 179.11 3i9d h ALA 133 N 0.72 0.22 -0.98 2.80 0.00 0.04 0.45 119.26 122.51 3i9d h ALA 133 Ca 0.05 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3i9d h ALA 133 Cb 0.71 0.78 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3i9d h ALA 133 CO 0.05 -0.56 0.00 -0.89 0.00 0.00 0.00 179.25 177.84 3i9d n ILE 134 N -5.48 0.00 -0.33 0.00 2.08 -1.20 -0.35 119.36 114.07 3i9d n ILE 134 Ca 0.08 1.26 0.24 0.00 0.56 0.00 0.00 62.75 64.90 3i9d n ILE 134 Cb 0.39 -2.24 0.47 0.00 -0.75 0.00 0.00 39.64 37.51 3i9d n ILE 134 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 3i9d h LYS 135 N 0.00 0.30 0.59 0.38 1.79 -1.46 0.29 116.57 118.46 3i9d h LYS 135 Ca 0.00 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 3i9d h LYS 135 Cb 0.00 -0.07 0.01 0.00 -1.58 0.00 0.00 32.23 30.59 3i9d h LYS 135 CO 0.00 0.20 -0.28 0.37 -1.08 0.00 0.00 179.45 178.66 3i9d h GLN 136 N 0.31 -0.76 0.00 3.15 4.15 -0.08 -1.84 115.11 120.04 3i9d h GLN 136 Ca 0.73 0.05 0.00 0.00 0.77 0.00 0.00 58.65 60.21 3i9d h GLN 136 Cb 1.68 0.17 0.00 0.00 0.21 0.00 0.00 27.48 29.54 3i9d h GLN 136 CO -0.61 -0.45 0.00 0.00 -1.93 0.00 0.00 178.83 175.84 3i9d h ALA 137 N -0.83 1.00 0.00 3.38 0.00 0.59 -1.73 119.26 121.67 3i9d h ALA 137 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 3i9d h ALA 137 Cb 0.66 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3i9d h ALA 137 CO 0.13 0.00 -1.39 0.28 0.00 0.00 0.00 179.25 178.27 3i9d h VAL 138 N 0.00 1.24 -0.44 0.00 2.07 -0.38 -3.02 116.25 115.72 3i9d h VAL 138 Ca 0.00 -3.02 -0.10 0.00 0.82 0.00 0.00 66.70 64.40 3i9d h VAL 138 Cb 0.21 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 3i9d h VAL 138 CO 0.00 0.71 -0.12 -0.61 0.02 0.00 0.00 177.57 177.57 3i9d h GLN 139 N 0.00 0.80 0.07 1.57 5.75 -0.45 -2.94 115.11 119.92 3i9d h GLN 139 Ca -0.16 -0.27 -0.00 0.00 -0.15 0.00 0.00 58.65 58.06 3i9d h GLN 139 Cb 1.91 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 30.40 3i9d h GLN 139 CO 0.10 0.88 -0.03 -0.09 -2.65 0.00 0.00 178.83 177.04 3i9d h ARG 140 N 0.72 -0.09 0.00 1.69 2.43 -1.53 0.43 114.38 118.02 3i9d h ARG 140 Ca 0.12 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3i9d h ARG 140 Cb 0.61 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3i9d h ARG 140 CO 0.04 0.05 0.00 0.28 -1.51 0.00 0.00 179.97 178.83 3i9d h VAL 141 N -0.22 0.00 0.02 0.20 2.07 -1.47 0.51 116.25 117.36 3i9d h VAL 141 Ca -0.01 -0.17 -0.40 0.00 0.82 0.00 0.00 66.70 66.94 3i9d h VAL 141 Cb 0.19 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 3i9d h VAL 141 CO 0.02 0.00 -2.36 0.23 0.02 0.00 0.00 177.57 175.47 3i9d n MET 142 N -3.01 0.65 0.16 1.57 2.81 -1.11 -4.14 117.12 114.06 3i9d n MET 142 Ca -0.02 0.21 0.01 0.00 -1.81 0.00 0.00 57.70 56.10 3i9d n MET 142 Cb 0.15 -1.55 0.32 0.00 -0.71 0.00 0.00 33.22 31.43 3i9d n MET 142 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3i9d h GLU 143 N -0.25 0.07 -1.90 0.03 4.81 0.06 -2.53 114.58 114.87 3i9d h GLU 143 Ca -0.57 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.56 3i9d h GLU 143 Cb 1.83 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.18 3i9d h GLU 143 CO -0.14 0.44 0.08 -1.13 -0.73 0.00 0.00 179.01 177.53 3i9d n SER 144 N -4.08 5.59 -2.55 1.04 3.41 0.18 -4.83 113.62 112.38 3i9d n SER 144 Ca -0.02 -2.55 -0.04 0.00 -0.26 0.00 0.00 58.87 56.00 3i9d n SER 144 Cb 0.42 -1.12 -0.03 0.00 -0.26 0.00 0.00 64.21 63.22 3i9d n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i9d n GLY 145 N 1.27 -4.89 3.75 5.00 0.00 -0.97 -4.87 105.19 104.49 3i9d n GLY 145 Ca 0.07 1.14 0.02 0.00 0.00 0.00 0.00 46.02 47.26 3i9d n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9d s ALA 146 N -0.57 -2.33 -0.36 4.61 0.00 -1.11 -4.89 121.76 117.10 3i9d s ALA 146 Ca -0.18 0.45 0.14 0.00 0.00 0.00 0.00 51.96 52.37 3i9d s ALA 146 Cb 0.01 0.55 0.40 0.00 0.00 0.00 0.00 23.12 24.09 3i9d s ALA 146 CO 0.48 -1.09 0.86 1.63 0.00 0.00 0.00 175.76 177.64 3i9d n LYS 147 N -0.65 1.31 0.00 0.00 5.02 -1.19 -4.84 118.16 117.82 3i9d n LYS 147 Ca -0.04 -3.47 0.00 0.00 -2.02 0.00 0.00 58.31 52.78 3i9d n LYS 147 Cb 0.61 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 3i9d n LYS 147 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i9d n GLY 148 N 0.06 -0.02 2.83 0.72 0.00 -1.25 -4.13 105.19 103.40 3i9d n GLY 148 Ca 0.19 0.67 -0.30 0.00 0.00 0.00 0.00 46.02 46.58 3i9d n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9d s ALA 149 N 0.00 1.91 -0.14 4.61 0.00 -1.12 -2.91 121.76 124.11 3i9d s ALA 149 Ca 0.00 -1.84 -0.01 0.00 0.00 0.00 0.00 51.96 50.11 3i9d s ALA 149 Cb 0.00 -1.68 0.04 0.00 0.00 0.00 0.00 23.12 21.48 3i9d s ALA 149 CO 0.00 -1.62 -0.01 0.21 0.00 0.00 0.00 175.76 174.34 3i9d s LYS 150 N 1.42 0.94 -0.22 0.00 2.20 -0.93 -0.29 119.74 122.86 3i9d s LYS 150 Ca 0.08 -0.27 0.01 0.00 -0.36 0.00 0.00 55.97 55.43 3i9d s LYS 150 Cb -0.18 -1.68 0.05 0.00 -1.51 0.00 0.00 37.83 34.52 3i9d s LYS 150 CO -0.19 -0.44 -0.07 0.08 -0.36 0.00 0.00 175.35 174.37 3i9d s VAL 151 N 1.82 1.57 0.07 4.02 1.01 -0.11 0.44 120.40 129.22 3i9d s VAL 151 Ca 0.02 -1.11 -0.18 0.00 0.00 0.00 0.00 61.98 60.71 3i9d s VAL 151 Cb -0.15 -1.74 -0.07 0.00 0.00 0.00 0.00 36.38 34.43 3i9d s VAL 151 CO -0.07 0.03 0.54 -0.63 0.00 0.00 0.00 175.10 174.97 3i9d s ILE 152 N 1.40 4.79 -0.23 2.22 1.01 0.22 -3.52 121.20 127.09 3i9d s ILE 152 Ca -0.04 1.13 -0.03 0.00 0.00 0.00 0.00 60.65 61.71 3i9d s ILE 152 Cb -0.18 -3.86 0.10 0.00 0.01 0.00 0.00 42.46 38.53 3i9d s ILE 152 CO -0.07 0.53 0.19 -0.69 0.00 0.00 0.00 174.94 174.90 3i9d s VAL 153 N -1.14 -0.24 -0.08 2.92 1.01 0.10 -0.35 120.40 122.63 3i9d s VAL 153 Ca 0.29 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.95 3i9d s VAL 153 Cb -0.19 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 3i9d s VAL 153 CO 0.18 -0.39 -0.16 -0.94 0.00 0.00 0.00 175.10 173.80 3i9d s SER 154 N 2.24 3.86 0.00 3.32 1.04 0.07 0.15 113.70 124.39 3i9d s SER 154 Ca 0.07 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.20 3i9d s SER 154 Cb -0.15 -1.13 0.00 0.00 0.10 0.00 0.00 66.02 64.84 3i9d s SER 154 CO -0.21 0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.88 3i9d n GLY 155 N 2.86 0.71 2.79 7.32 0.00 -0.81 -0.39 105.19 117.66 3i9d n GLY 155 Ca -0.18 -1.82 -0.27 0.00 0.00 0.00 0.00 46.02 43.76 3i9d n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9d n ARG 156 N 0.00 1.74 -1.68 1.61 1.74 -1.26 -2.56 116.66 116.25 3i9d n ARG 156 Ca 0.00 -1.48 -0.55 0.00 -0.77 0.00 0.00 57.85 55.05 3i9d n ARG 156 Cb 0.00 -2.55 -0.07 0.00 -1.02 0.00 0.00 32.46 28.83 3i9d n ARG 156 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3i9d n ILE 157 N 4.80 0.24 -1.36 0.55 5.41 -1.26 0.38 119.36 128.13 3i9d n ILE 157 Ca 0.43 -0.04 -0.12 0.00 1.00 0.00 0.00 62.75 64.01 3i9d n ILE 157 Cb 0.20 -1.20 -0.05 0.00 -0.71 0.00 0.00 39.64 37.88 3i9d n ILE 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i9d n GLY 158 N 3.76 1.29 2.87 7.39 0.00 -1.26 -1.50 105.19 117.73 3i9d n GLY 158 Ca 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3i9d n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9d n GLY 159 N -0.83 1.26 3.65 -0.02 0.00 0.16 -4.97 105.19 104.44 3i9d n GLY 159 Ca -0.12 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.43 3i9d n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9d n ALA 160 N 0.73 1.10 -0.18 4.61 0.00 -0.56 -4.91 120.51 121.30 3i9d n ALA 160 Ca 0.00 0.19 -0.09 0.00 0.00 0.00 0.00 53.44 53.54 3i9d n ALA 160 Cb 0.00 -2.58 -0.07 0.00 0.00 0.00 0.00 19.45 16.80 3i9d n ALA 160 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3i9d h GLU 161 N 10.28 -0.16 -5.59 0.00 4.57 -1.90 -3.30 114.58 118.48 3i9d h GLU 161 Ca -0.46 0.01 -0.23 0.00 -1.18 0.00 0.00 59.36 57.50 3i9d h GLU 161 Cb 1.27 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.86 3i9d h GLU 161 CO 0.95 -0.11 0.59 -1.14 -1.18 0.00 0.00 179.01 178.13 3i9d s GLN 162 N -4.81 2.30 0.17 1.92 2.00 -1.26 -4.88 119.66 115.10 3i9d s GLN 162 Ca -0.09 -0.23 -0.33 0.00 -2.00 0.00 0.00 55.36 52.71 3i9d s GLN 162 Cb 0.07 -5.02 -0.15 0.00 0.80 0.00 0.00 33.01 28.71 3i9d s GLN 162 CO 0.43 -3.74 1.40 0.00 -0.50 0.00 0.00 175.29 172.87 3i9d n ALA 163 N 15.21 0.39 -2.75 1.58 0.00 -1.24 -4.91 120.51 128.78 3i9d n ALA 163 Ca 0.42 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.31 3i9d n ALA 163 Cb 0.46 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.70 3i9d n ALA 163 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i9d n ARG 164 N 2.48 3.78 -3.85 0.00 1.74 -1.06 -4.90 116.66 114.86 3i9d n ARG 164 Ca 0.15 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.11 3i9d n ARG 164 Cb 0.27 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.57 3i9d n ARG 164 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3i9d s THR 165 N 1.37 -0.01 -0.23 0.55 -1.32 -1.26 -1.93 115.64 112.81 3i9d s THR 165 Ca 0.00 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 3i9d s THR 165 Cb 0.00 -0.04 0.06 0.00 -1.51 0.00 0.00 72.50 71.01 3i9d s THR 165 CO 0.00 0.01 -0.05 -0.70 -2.21 0.00 0.00 174.62 171.67 3i9d s GLU 166 N 0.16 1.57 0.11 7.08 2.56 0.40 -4.95 118.70 125.62 3i9d s GLU 166 Ca -0.01 -0.94 -0.01 0.00 0.00 0.00 0.00 54.97 54.01 3i9d s GLU 166 Cb -0.02 -2.54 -0.04 0.00 2.00 0.00 0.00 34.13 33.53 3i9d s GLU 166 CO -0.00 -0.59 0.29 -0.46 -0.56 0.00 0.00 175.26 173.93 3i9d s TRP 167 N 1.43 3.50 0.00 5.30 -0.00 -1.26 0.02 118.94 127.93 3i9d s TRP 167 Ca -0.05 0.34 0.00 0.00 -0.00 0.00 0.00 56.10 56.39 3i9d s TRP 167 Cb -0.19 -1.83 0.00 0.00 -0.00 0.00 0.00 33.47 31.45 3i9d s TRP 167 CO -0.06 0.51 0.00 0.00 -0.00 0.00 0.00 176.95 177.40 3i9d n ALA 168 N 0.05 0.00 -3.03 5.86 0.00 -1.23 -5.01 120.51 117.15 3i9d n ALA 168 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3i9d n ALA 168 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3i9d n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9d n ALA 169 N 0.00 0.00 -3.62 0.00 0.00 -1.25 -0.93 120.51 114.71 3i9d n ALA 169 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3i9d n ALA 169 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3i9d n ALA 169 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3i9d s GLN 170 N 0.01 0.21 2.84 0.00 0.74 0.60 -4.92 119.66 119.15 3i9d s GLN 170 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 55.36 55.44 3i9d s GLN 170 Cb 0.00 0.10 0.00 0.00 1.10 0.00 0.00 33.01 34.21 3i9d s GLN 170 CO 0.00 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.08 3i9d n GLY 171 N 0.47 0.24 3.92 2.59 0.00 -1.26 -2.78 105.19 108.37 3i9d n GLY 171 Ca -0.02 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.78 3i9d n GLY 171 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i9d s ARG 172 N 0.00 3.57 -0.44 1.61 0.52 -1.26 -4.93 118.95 118.03 3i9d s ARG 172 Ca 0.00 -0.16 0.05 0.00 -0.52 0.00 0.00 55.73 55.10 3i9d s ARG 172 Cb 0.00 -2.71 0.29 0.00 0.52 0.00 0.00 34.95 33.05 3i9d s ARG 172 CO 0.00 0.26 1.10 0.28 0.02 0.00 0.00 175.30 176.97 3i9d n VAL 173 N -0.98 0.00 -2.00 3.52 0.31 -1.26 -4.07 118.33 113.85 3i9d n VAL 173 Ca -0.03 -1.29 -0.37 0.00 -0.01 0.00 0.00 64.34 62.65 3i9d n VAL 173 Cb 0.54 1.39 -0.03 0.00 -0.91 0.00 0.00 33.84 34.83 3i9d n VAL 173 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3i9d s PRO 174 N 0.35 2.57 -0.01 5.55 0.02 -1.26 -4.80 135.00 137.43 3i9d s PRO 174 Ca 0.25 0.55 0.02 0.00 0.02 0.00 0.00 61.00 61.84 3i9d s PRO 174 Cb 0.26 -4.49 0.06 0.00 0.02 0.00 0.00 34.50 30.35 3i9d s PRO 174 CO -0.14 -2.87 0.90 1.28 -0.33 0.00 0.00 177.00 175.84 3i9d n LEU 175 N 13.20 0.68 -0.00 -5.54 4.32 -1.26 -2.90 117.00 125.50 3i9d n LEU 175 Ca 0.24 -0.34 0.00 0.00 -0.02 0.00 0.00 56.01 55.90 3i9d n LEU 175 Cb 0.52 -0.20 -0.00 0.00 -1.62 0.00 0.00 43.42 42.11 3i9d n LEU 175 CO 0.69 0.15 0.02 1.41 -1.22 0.00 0.00 177.39 178.44 3i9d n HIS 176 N -0.20 0.00 -3.34 -1.77 8.25 -1.26 -4.94 115.22 111.96 3i9d n HIS 176 Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 3i9d n HIS 176 Cb 0.14 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.17 3i9d n HIS 176 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3i9d s THR 177 N -0.99 5.11 0.18 1.59 2.01 -1.14 -4.98 115.64 117.41 3i9d s THR 177 Ca 0.00 0.18 -0.14 0.00 0.31 0.00 0.00 61.69 62.05 3i9d s THR 177 Cb 0.01 -3.87 0.07 0.00 0.01 0.00 0.00 72.50 68.72 3i9d s THR 177 CO 0.03 -0.13 1.84 -0.07 -0.69 0.00 0.00 174.62 175.60 3i9d h LEU 178 N 8.88 0.64 -2.53 4.42 -0.00 -1.94 -2.52 115.31 122.25 3i9d h LEU 178 Ca -0.29 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 57.52 3i9d h LEU 178 Cb 1.14 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 41.61 3i9d h LEU 178 CO 0.72 0.47 0.06 -2.11 -0.00 0.00 0.00 178.44 177.58 3i9d n ARG 179 N -4.70 1.12 -0.12 1.13 1.85 -1.26 -3.91 116.66 110.78 3i9d n ARG 179 Ca 0.03 -0.25 -0.25 0.00 -1.00 0.00 0.00 57.85 56.38 3i9d n ARG 179 Cb 0.02 -1.10 -0.11 0.00 -1.05 0.00 0.00 32.46 30.22 3i9d n ARG 179 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i9d n ALA 180 N 0.74 0.94 -2.05 2.89 0.00 -0.95 -4.44 120.51 117.64 3i9d n ALA 180 Ca 0.05 -0.71 -0.00 0.00 0.00 0.00 0.00 53.44 52.77 3i9d n ALA 180 Cb 0.56 -0.31 -0.00 0.00 0.00 0.00 0.00 19.45 19.70 3i9d n ALA 180 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i9d n ASN 181 N -4.34 -4.39 -3.88 0.00 5.15 -1.25 -3.75 115.26 102.79 3i9d n ASN 181 Ca -0.40 0.66 -0.26 0.00 -0.60 0.00 0.00 54.58 53.97 3i9d n ASN 181 Cb 0.76 -2.99 -0.17 0.00 -0.53 0.00 0.00 39.78 36.85 3i9d n ASN 181 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3i9d s ILE 182 N -0.70 0.88 -0.13 -1.44 1.01 -1.26 -2.93 121.20 116.62 3i9d s ILE 182 Ca -0.01 -0.20 -0.23 0.00 0.00 0.00 0.00 60.65 60.21 3i9d s ILE 182 Cb 0.00 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 3i9d s ILE 182 CO 0.36 0.34 0.72 -0.62 0.00 0.00 0.00 174.94 175.75 3i9d s ASP 183 N 1.76 6.90 -0.02 3.58 3.68 -0.11 -4.81 116.67 127.65 3i9d s ASP 183 Ca 0.05 1.10 0.01 0.00 2.13 0.00 0.00 52.55 55.83 3i9d s ASP 183 Cb -0.12 -2.41 0.01 0.00 -1.45 0.00 0.00 42.92 38.95 3i9d s ASP 183 CO -0.07 -0.24 -0.01 -0.47 0.13 0.00 0.00 175.17 174.51 3i9d s TYR 184 N 1.46 0.24 0.20 -5.34 5.04 -1.25 -0.90 117.35 116.80 3i9d s TYR 184 Ca 0.36 -0.01 0.01 0.00 -2.44 0.00 0.00 57.07 54.98 3i9d s TYR 184 Cb -0.17 -0.26 -0.05 0.00 0.35 0.00 0.00 41.96 41.83 3i9d s TYR 184 CO 0.15 -0.06 0.06 0.20 -1.34 0.00 0.00 175.55 174.56 3i9d s GLY 185 N 0.50 1.40 0.14 8.97 0.00 -1.18 -4.68 107.32 112.46 3i9d s GLY 185 Ca -0.05 -1.68 0.06 0.00 0.00 0.00 0.00 44.72 43.04 3i9d s GLY 185 CO -0.01 -1.50 -0.13 -0.12 0.00 0.00 0.00 173.10 171.34 3i9d s PHE 186 N -3.84 1.37 0.07 1.90 5.36 -1.26 -2.97 117.98 118.61 3i9d s PHE 186 Ca 0.31 -0.62 -0.17 0.00 -0.96 0.00 0.00 56.93 55.49 3i9d s PHE 186 Cb 0.07 -0.70 0.03 0.00 -0.34 0.00 0.00 43.02 42.08 3i9d s PHE 186 CO 0.08 0.14 0.40 0.00 -1.46 0.00 0.00 175.22 174.38 3i9d s ALA 187 N -2.57 -0.96 0.01 11.12 0.00 -1.18 -4.80 121.76 123.38 3i9d s ALA 187 Ca 0.12 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.26 3i9d s ALA 187 Cb -0.02 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.54 3i9d s ALA 187 CO 0.03 -0.51 0.00 1.28 0.00 0.00 0.00 175.76 176.56 3i9d n LEU 188 N 0.29 0.00 0.00 0.00 7.99 -1.26 -2.84 117.00 121.18 3i9d n LEU 188 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.82 3i9d n LEU 188 Cb 0.61 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.92 3i9d n LEU 188 CO 0.19 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.07 3i9d n ALA 189 N -3.00 0.00 -0.68 -1.18 0.00 -1.26 -4.68 120.51 109.71 3i9d n ALA 189 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3i9d n ALA 189 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3i9d n ALA 189 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3i9d n ARG 190 N 0.00 0.00 0.00 0.00 1.85 -1.26 -4.63 116.66 112.62 3i9d n ARG 190 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3i9d n ARG 190 Cb 0.00 -0.46 0.00 0.00 -1.05 0.00 0.00 32.46 30.95 3i9d n ARG 190 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3i9d n THR 191 N 2.49 0.00 -0.03 8.89 -2.24 -0.53 -4.97 114.28 117.88 3i9d n THR 191 Ca 0.30 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.95 3i9d n THR 191 Cb 0.07 -0.87 -0.11 0.00 -2.10 0.00 0.00 70.33 67.32 3i9d n THR 191 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3i9d h THR 192 N 0.00 1.53 0.00 4.28 2.02 -2.01 -3.24 112.91 115.50 3i9d h THR 192 Ca 0.00 -1.62 -0.02 0.00 0.77 0.00 0.00 66.41 65.54 3i9d h THR 192 Cb 0.00 2.61 -0.00 0.00 -1.74 0.00 0.00 68.15 69.01 3i9d h THR 192 CO 0.00 0.43 -0.11 0.10 0.37 0.00 0.00 175.52 176.31 3i9d h TYR 193 N -0.62 0.00 0.00 3.16 -0.00 -1.96 -3.49 116.97 114.06 3i9d h TYR 193 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3i9d h TYR 193 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.45 3i9d h TYR 193 CO 0.16 0.11 0.00 0.41 -0.00 0.00 0.00 178.16 178.84 3i9d n GLY 194 N -0.19 0.92 3.86 0.10 0.00 -1.22 -5.01 105.19 103.64 3i9d n GLY 194 Ca -0.00 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.78 3i9d n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i9d s VAL 195 N -2.33 2.53 0.06 1.61 1.01 -1.26 -1.46 120.40 120.56 3i9d s VAL 195 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 3i9d s VAL 195 Cb 0.00 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3i9d s VAL 195 CO 0.00 -0.22 -0.03 -0.76 0.00 0.00 0.00 175.10 174.08 3i9d s LEU 196 N -5.62 2.46 -0.11 3.92 2.01 -1.26 -4.41 118.68 115.67 3i9d s LEU 196 Ca 0.61 -1.01 0.02 0.00 0.01 0.00 0.00 54.13 53.76 3i9d s LEU 196 Cb -0.12 0.16 0.01 0.00 0.01 0.00 0.00 46.19 46.25 3i9d s LEU 196 CO 0.51 -0.58 -0.15 -0.83 1.01 0.00 0.00 176.35 176.30 3i9d s GLY 197 N -2.95 1.04 -0.19 -3.19 0.00 0.48 -4.21 107.32 98.30 3i9d s GLY 197 Ca 0.09 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 44.09 3i9d s GLY 197 CO -0.09 0.19 -0.12 0.14 0.00 0.00 0.00 173.10 173.23 3i9d s VAL 198 N 0.93 1.68 -0.11 1.40 1.01 -1.13 -0.75 120.40 123.43 3i9d s VAL 198 Ca -0.08 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 60.96 3i9d s VAL 198 Cb -0.15 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 3i9d s VAL 198 CO -0.01 0.24 -0.19 -0.54 0.00 0.00 0.00 175.10 174.60 3i9d s LYS 199 N 1.39 3.20 -0.04 2.72 1.02 0.52 -3.09 119.74 125.45 3i9d s LYS 199 Ca 0.00 -0.80 0.05 0.00 0.02 0.00 0.00 55.97 55.25 3i9d s LYS 199 Cb -0.15 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.70 3i9d s LYS 199 CO -0.09 0.20 -0.21 0.00 -0.92 0.00 0.00 175.35 174.33 3i9d s ALA 200 N 0.34 1.81 -0.11 5.17 0.00 -1.16 0.73 121.76 128.55 3i9d s ALA 200 Ca -0.16 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 50.97 3i9d s ALA 200 Cb -0.17 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.39 3i9d s ALA 200 CO 0.08 0.36 -0.22 0.71 0.00 0.00 0.00 175.76 176.68 3i9d s TYR 201 N -0.13 2.51 -0.17 0.00 1.51 0.17 -3.11 117.35 118.13 3i9d s TYR 201 Ca -0.02 -1.12 -0.01 0.00 -1.01 0.00 0.00 57.07 54.91 3i9d s TYR 201 Cb -0.12 -1.70 0.05 0.00 -0.11 0.00 0.00 41.96 40.08 3i9d s TYR 201 CO 0.02 -0.49 -0.02 0.42 -1.11 0.00 0.00 175.55 174.37 3i9d s ILE 202 N 0.57 0.92 0.27 2.71 1.01 -0.07 -2.19 121.20 124.41 3i9d s ILE 202 Ca -0.14 -0.60 -0.10 0.00 0.00 0.00 0.00 60.65 59.81 3i9d s ILE 202 Cb -0.17 -1.20 -0.07 0.00 0.01 0.00 0.00 42.46 41.03 3i9d s ILE 202 CO 0.04 0.02 0.61 0.12 0.00 0.00 0.00 174.94 175.73 3i9d s PHE 203 N 1.70 3.42 0.00 3.97 5.36 -1.15 -0.94 117.98 130.35 3i9d s PHE 203 Ca -0.00 0.94 0.00 0.00 -0.96 0.00 0.00 56.93 56.91 3i9d s PHE 203 Cb -0.16 -2.32 0.00 0.00 -0.34 0.00 0.00 43.02 40.20 3i9d s PHE 203 CO -0.07 0.19 0.00 1.28 -1.46 0.00 0.00 175.22 175.16 3i9d n LEU 204 N -0.34 0.00 0.00 6.12 4.77 -1.15 -3.16 117.00 123.23 3i9d n LEU 204 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3i9d n LEU 204 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3i9d n LEU 204 CO 0.45 -0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 3i9d n GLY 205 N 2.56 1.91 0.64 -0.72 0.00 -1.25 -4.72 105.19 103.61 3i9d n GLY 205 Ca 0.00 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.84 3i9d n GLY 205 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11