#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gua h TYR -7 N 0.00 0.67 -0.36 2.11 0.99 -2.05 -2.79 116.97 115.55 3gua h TYR -7 Ca 0.00 -0.21 -0.08 0.00 2.00 0.00 0.00 58.73 60.43 3gua h TYR -7 Cb 0.00 -0.14 -0.01 0.00 1.00 0.00 0.00 36.73 37.58 3gua h TYR -7 CO 0.00 0.92 -0.10 -0.22 -0.00 0.00 0.00 178.16 178.76 3gua h LYS -6 N 0.44 0.69 -0.00 4.88 3.64 -2.05 0.16 116.57 124.34 3gua h LYS -6 Ca 0.03 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3gua h LYS -6 Cb 0.99 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 3gua h LYS -6 CO 0.09 0.86 -0.04 -0.40 -2.27 0.00 0.00 179.45 177.69 3gua n ASP -5 N -4.39 0.22 0.02 4.20 3.85 -1.25 -0.06 116.55 119.14 3gua n ASP -5 Ca -0.02 -0.52 -0.15 0.00 -0.71 0.00 0.00 54.79 53.39 3gua n ASP -5 Cb 0.35 -0.14 -0.14 0.00 -1.35 0.00 0.00 41.12 39.84 3gua n ASP -5 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3gua h ASP -4 N 0.28 0.26 0.46 -1.12 3.32 -1.20 -3.21 116.42 115.22 3gua h ASP -4 Ca 0.00 -0.49 -0.17 0.00 0.02 0.00 0.00 57.03 56.39 3gua h ASP -4 Cb 0.26 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3gua h ASP -4 CO 0.00 1.43 -0.74 -0.78 -1.72 0.00 0.00 179.24 177.43 3gua h ASP -3 N 0.05 0.27 -0.52 6.45 1.82 -0.45 -2.58 116.42 121.45 3gua h ASP -3 Ca -0.31 -0.19 -0.08 0.00 -0.39 0.00 0.00 57.03 56.06 3gua h ASP -3 Cb 2.02 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 41.93 3gua h ASP -3 CO 0.11 0.91 0.00 0.44 -1.61 0.00 0.00 179.24 179.09 3gua h ASP -2 N 0.15 0.90 -0.47 2.28 3.32 -0.61 0.25 116.42 122.24 3gua h ASP -2 Ca -0.02 -0.31 -0.12 0.00 0.02 0.00 0.00 57.03 56.60 3gua h ASP -2 Cb 1.30 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 3gua h ASP -2 CO 0.11 0.99 -0.16 0.11 -1.72 0.00 0.00 179.24 178.57 3gua h LYS -1 N 0.79 0.93 -0.64 3.56 1.57 -1.60 -1.71 116.57 119.48 3gua h LYS -1 Ca 0.15 -0.38 0.02 0.00 -1.87 0.00 0.00 60.65 58.57 3gua h LYS -1 Cb 0.53 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 3gua h LYS -1 CO 0.03 1.04 0.40 -0.07 -0.57 0.00 0.00 179.45 180.28 3gua h LEU 0 N 0.77 0.68 -0.12 2.94 3.38 -1.28 -1.03 115.31 120.64 3gua h LEU 0 Ca 0.11 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3gua h LEU 0 Cb 0.72 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3gua h LEU 0 CO 0.06 0.48 0.01 -0.74 0.09 0.00 0.00 178.44 178.33 3gua h HIS 1 N 0.81 0.01 -0.11 1.13 2.76 -0.31 -0.19 115.15 119.25 3gua h HIS 1 Ca 0.25 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.39 3gua h HIS 1 Cb -0.03 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 3gua h HIS 1 CO -0.04 -0.01 -0.09 0.66 -1.30 0.00 0.00 177.93 177.15 3gua h SER 2 N 0.05 0.15 -0.14 3.26 4.64 -1.08 -0.82 113.55 119.60 3gua h SER 2 Ca 0.05 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.28 3gua h SER 2 Cb 0.06 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3gua h SER 2 CO -0.09 0.27 -0.18 1.56 -0.87 0.00 0.00 176.83 177.52 3gua h GLN 3 N 0.16 0.37 -0.70 4.77 4.20 -0.77 -2.93 115.11 120.21 3gua h GLN 3 Ca 0.04 -0.21 0.07 0.00 0.06 0.00 0.00 58.65 58.60 3gua h GLN 3 Cb 0.26 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.00 3gua h GLN 3 CO 0.01 0.78 0.39 0.00 -0.67 0.00 0.00 178.83 179.34 3gua h ALA 4 N 0.59 0.96 -0.97 3.87 0.00 -0.52 -0.72 119.26 122.47 3gua h ALA 4 Ca 0.02 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3gua h ALA 4 Cb 0.73 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3gua h ALA 4 CO 0.04 0.06 0.64 -0.91 0.00 0.00 0.00 179.25 179.08 3gua h ASN 5 N 0.71 1.12 -0.28 0.00 2.35 -1.14 0.94 115.58 119.27 3gua h ASN 5 Ca 0.32 -0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.92 3gua h ASN 5 Cb 0.23 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 3gua h ASN 5 CO -0.20 0.81 -0.30 0.25 -1.65 0.00 0.00 177.43 176.34 3gua h LEU 6 N 1.32 0.75 -0.35 1.61 5.85 -1.26 -1.63 115.31 121.59 3gua h LEU 6 Ca 0.35 -0.48 0.06 0.00 0.84 0.00 0.00 57.88 58.66 3gua h LEU 6 Cb -0.15 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.61 3gua h LEU 6 CO -0.08 1.07 0.01 -0.03 -0.34 0.00 0.00 178.44 179.08 3gua h MET 7 N 0.44 0.11 -0.47 1.25 4.05 -0.82 -0.13 114.93 119.37 3gua h MET 7 Ca 0.04 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.50 3gua h MET 7 Cb 0.87 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.60 3gua h MET 7 CO 0.07 0.08 0.22 -0.09 0.23 0.00 0.00 176.91 177.42 3gua h ARG 8 N 0.12 0.42 0.10 0.39 2.43 -0.72 -0.08 114.38 117.04 3gua h ARG 8 Ca 0.17 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3gua h ARG 8 Cb 0.23 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3gua h ARG 8 CO -0.28 0.28 -0.05 1.25 -1.51 0.00 0.00 179.97 179.67 3gua h LEU 9 N 0.43 -0.11 -0.18 3.80 5.85 -0.67 0.98 115.31 125.41 3gua h LEU 9 Ca 0.21 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3gua h LEU 9 Cb 0.14 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3gua h LEU 9 CO -0.16 0.03 0.11 0.11 -0.34 0.00 0.00 178.44 178.18 3gua h LYS 10 N -0.24 0.22 -0.91 1.25 1.57 -0.90 0.16 116.57 117.71 3gua h LYS 10 Ca -0.01 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3gua h LYS 10 Cb 0.20 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 3gua h LYS 10 CO 0.02 0.15 0.60 1.03 -0.57 0.00 0.00 179.45 180.67 3gua h SER 11 N 0.23 1.01 -0.24 0.86 0.87 -0.87 0.18 113.55 115.59 3gua h SER 11 Ca 0.07 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 3gua h SER 11 Cb -0.01 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 3gua h SER 11 CO -0.03 0.71 -0.02 0.44 -0.53 0.00 0.00 176.83 177.40 3gua h ASP 12 N 1.19 0.43 -0.45 6.23 3.32 -0.44 -2.28 116.42 124.42 3gua h ASP 12 Ca 0.35 -0.33 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 3gua h ASP 12 Cb -0.06 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 3gua h ASP 12 CO -0.10 0.66 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.00 3gua h LEU 13 N 0.19 0.84 -0.00 1.55 3.38 -0.08 -2.33 115.31 118.85 3gua h LEU 13 Ca 0.06 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 3gua h LEU 13 Cb 0.45 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.98 3gua h LEU 13 CO 0.02 0.91 -0.30 0.15 0.09 0.00 0.00 178.44 179.30 3gua h PHE 14 N 0.80 0.31 0.00 1.13 3.57 -0.71 -3.27 116.94 118.77 3gua h PHE 14 Ca 0.15 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3gua h PHE 14 Cb 0.49 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.19 3gua h PHE 14 CO 0.03 0.97 0.00 0.09 -2.23 0.00 0.00 178.31 177.17 3gua n ASN 15 N -4.46 0.00 -4.75 0.41 3.02 -0.86 -4.87 115.26 103.75 3gua n ASN 15 Ca -0.10 -0.50 -0.41 0.00 -0.03 0.00 0.00 54.58 53.54 3gua n ASN 15 Cb 0.53 -0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.60 3gua n ASN 15 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gua s ARG 16 N -2.16 4.20 1.00 3.52 1.70 -0.88 -4.94 118.95 121.39 3gua s ARG 16 Ca 0.29 2.43 -0.12 0.00 -0.47 0.00 0.00 55.73 57.87 3gua s ARG 16 Cb 0.15 -3.07 0.19 0.00 -0.57 0.00 0.00 34.95 31.65 3gua s ARG 16 CO 0.27 -0.52 1.08 0.45 -1.08 0.00 0.00 175.30 175.51 3gua s SER 17 N 0.40 2.55 -0.09 -2.89 0.15 -1.26 -2.57 113.70 109.99 3gua s SER 17 Ca 0.61 1.41 -0.01 0.00 0.70 0.00 0.00 55.95 58.66 3gua s SER 17 Cb -0.45 -2.09 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 3gua s SER 17 CO 0.46 -3.21 0.03 -2.65 1.20 0.00 0.00 173.24 169.07 3gua n PRO 18 N -4.25 -1.29 -0.01 5.44 -0.02 -1.26 -4.82 135.00 128.79 3gua n PRO 18 Ca 0.06 0.01 -0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3gua n PRO 18 Cb 0.56 -0.90 -0.00 0.00 -0.02 0.00 0.00 33.50 33.13 3gua n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gua n MET 19 N -0.66 0.00 0.00 -0.52 0.00 -1.06 -4.20 117.12 110.68 3gua n MET 19 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.71 3gua n MET 19 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 33.22 33.31 3gua n MET 19 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 3gua n TYR 20 N 0.05 0.00 -0.94 3.17 4.19 -1.26 -4.93 117.16 117.44 3gua n TYR 20 Ca 0.01 0.00 -0.05 0.00 3.31 0.00 0.00 57.90 61.17 3gua n TYR 20 Cb 0.00 0.00 0.30 0.00 0.49 0.00 0.00 39.34 40.14 3gua n TYR 20 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3gua n PRO 21 N 0.00 3.75 0.00 2.98 -0.04 -1.26 -5.00 135.00 135.43 3gua n PRO 21 Ca 0.00 -2.97 0.00 0.00 -0.04 0.00 0.00 63.50 60.49 3gua n PRO 21 Cb 0.00 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 3gua n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gua n GLY 22 N -0.06 -0.35 3.74 0.55 0.00 -1.26 -4.97 105.19 102.84 3gua n GLY 22 Ca 0.39 -1.64 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 3gua n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gua s PRO 23 N -3.15 2.83 0.30 1.61 0.04 -1.26 -5.04 135.00 130.33 3gua s PRO 23 Ca 0.00 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.09 3gua s PRO 23 Cb 0.00 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 3gua s PRO 23 CO 0.00 -1.37 0.17 0.95 0.04 0.00 0.00 177.00 176.79 3gua s THR 24 N -1.44 0.29 0.19 1.26 -4.23 -1.13 -4.98 115.64 105.61 3gua s THR 24 Ca 0.78 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.18 3gua s THR 24 Cb -0.36 -2.51 0.11 0.00 1.34 0.00 0.00 72.50 71.08 3gua s THR 24 CO 0.39 0.00 1.79 0.11 -0.54 0.00 0.00 174.62 176.37 3gua h LYS 25 N 2.23 0.53 0.00 3.99 1.57 -1.92 -1.97 116.57 120.99 3gua h LYS 25 Ca -0.33 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3gua h LYS 25 Cb 1.25 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3gua h LYS 25 CO 0.51 0.35 0.00 -0.25 -0.57 0.00 0.00 179.45 179.49 3gua n ASP 26 N -4.87 0.00 -3.01 0.86 8.00 -1.26 -4.02 116.55 112.25 3gua n ASP 26 Ca 0.06 0.19 -0.15 0.00 0.71 0.00 0.00 54.79 55.60 3gua n ASP 26 Cb 0.17 -0.38 0.01 0.00 -0.02 0.00 0.00 41.12 40.89 3gua n ASP 26 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gua n ASP 27 N -1.38 0.23 -4.41 -2.24 2.03 -0.81 -5.14 116.55 104.84 3gua n ASP 27 Ca 0.09 -3.07 -0.29 0.00 0.52 0.00 0.00 54.79 52.04 3gua n ASP 27 Cb 0.23 -0.07 0.18 0.00 -0.72 0.00 0.00 41.12 40.73 3gua n ASP 27 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3gua s PRO 28 N -1.93 0.26 0.01 -0.67 0.04 -0.82 -2.83 135.00 129.06 3gua s PRO 28 Ca 0.34 0.14 -0.05 0.00 0.04 0.00 0.00 61.00 61.47 3gua s PRO 28 Cb 0.36 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 33.14 3gua s PRO 28 CO -0.06 -2.77 0.08 -1.17 0.04 0.00 0.00 177.00 173.13 3gua s LEU 29 N -6.36 1.80 -0.17 -3.56 2.96 -0.04 -4.92 118.68 108.40 3gua s LEU 29 Ca 0.67 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 3gua s LEU 29 Cb -0.13 0.48 0.01 0.00 0.50 0.00 0.00 46.19 47.06 3gua s LEU 29 CO 0.55 -0.36 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.13 3gua s THR 30 N -1.54 2.20 -0.21 3.68 2.01 -1.26 -0.64 115.64 119.88 3gua s THR 30 Ca -0.14 -0.90 -0.09 0.00 0.31 0.00 0.00 61.69 60.87 3gua s THR 30 Cb -0.08 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 3gua s THR 30 CO 0.00 0.53 0.10 -0.69 -0.69 0.00 0.00 174.62 173.88 3gua s VAL 31 N 1.14 5.02 -0.21 3.82 1.01 0.56 -4.39 120.40 127.35 3gua s VAL 31 Ca 0.01 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.90 3gua s VAL 31 Cb -0.14 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 3gua s VAL 31 CO -0.08 0.41 0.32 -0.89 0.00 0.00 0.00 175.10 174.86 3gua s THR 32 N 0.71 5.25 -0.06 3.92 2.01 0.31 -1.46 115.64 126.33 3gua s THR 32 Ca 0.05 0.54 0.01 0.00 0.31 0.00 0.00 61.69 62.60 3gua s THR 32 Cb -0.13 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 3gua s THR 32 CO 0.02 0.29 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.43 3gua s LEU 33 N 1.16 3.28 -0.01 4.42 1.43 0.46 -1.95 118.68 127.46 3gua s LEU 33 Ca 0.15 0.00 -0.06 0.00 -1.03 0.00 0.00 54.13 53.20 3gua s LEU 33 Cb -0.14 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.33 3gua s LEU 33 CO 0.07 0.35 0.13 -0.83 0.23 0.00 0.00 176.35 176.29 3gua s GLY 34 N -0.94 0.01 -0.13 -3.19 0.00 -0.95 -4.21 107.32 97.92 3gua s GLY 34 Ca 0.14 -0.00 0.02 0.00 0.00 0.00 0.00 44.72 44.88 3gua s GLY 34 CO 0.03 -0.11 -0.20 -1.36 0.00 0.00 0.00 173.10 171.46 3gua s PHE 35 N -0.93 2.67 -0.35 1.90 0.08 -1.26 -1.02 117.98 119.08 3gua s PHE 35 Ca -0.10 -1.05 -0.11 0.00 0.12 0.00 0.00 56.93 55.79 3gua s PHE 35 Cb -0.06 -1.79 0.01 0.00 -0.57 0.00 0.00 43.02 40.61 3gua s PHE 35 CO 0.01 -0.44 0.20 0.99 -0.10 0.00 0.00 175.22 175.87 3gua s THR 36 N 0.55 4.72 -0.24 0.64 2.01 -0.47 -1.03 115.64 121.81 3gua s THR 36 Ca -0.12 -0.60 -0.19 0.00 0.31 0.00 0.00 61.69 61.09 3gua s THR 36 Cb -0.17 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 3gua s THR 36 CO 0.04 -0.10 0.55 -0.22 -0.69 0.00 0.00 174.62 174.21 3gua s LEU 37 N 1.61 4.08 -0.24 4.42 2.96 -0.92 -0.31 118.68 130.28 3gua s LEU 37 Ca 0.04 0.62 -0.16 0.00 -0.22 0.00 0.00 54.13 54.41 3gua s LEU 37 Cb -0.18 -2.74 -0.16 0.00 0.50 0.00 0.00 46.19 43.61 3gua s LEU 37 CO 0.07 -0.29 -0.05 0.00 -1.32 0.00 0.00 176.35 174.76 3gua n GLN 38 N 5.41 0.60 -3.68 1.98 6.02 0.01 -3.29 117.38 124.43 3gua n GLN 38 Ca -0.03 0.39 -0.14 0.00 -0.01 0.00 0.00 57.00 57.21 3gua n GLN 38 Cb 0.50 -1.62 -0.08 0.00 1.02 0.00 0.00 30.24 30.05 3gua n GLN 38 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3gua s ASP 39 N -7.13 -0.58 -0.46 1.08 2.15 -0.95 0.46 116.67 111.25 3gua s ASP 39 Ca -0.33 1.09 -0.18 0.00 0.43 0.00 0.00 52.55 53.56 3gua s ASP 39 Cb 0.10 1.10 0.04 0.00 -0.30 0.00 0.00 42.92 43.86 3gua s ASP 39 CO 0.56 -0.22 0.52 -0.63 -0.17 0.00 0.00 175.17 175.23 3gua s ILE 40 N 0.19 5.00 -0.04 4.11 1.01 -1.26 -1.06 121.20 129.15 3gua s ILE 40 Ca -0.01 -0.41 -0.19 0.00 0.00 0.00 0.00 60.65 60.04 3gua s ILE 40 Cb -0.04 -4.15 -0.32 0.00 0.01 0.00 0.00 42.46 37.96 3gua s ILE 40 CO 0.01 -0.58 0.85 0.58 0.00 0.00 0.00 174.94 175.80 3gua h VAL 41 N 5.79 1.35 -2.99 2.92 2.07 -1.52 -3.41 116.25 120.46 3gua h VAL 41 Ca -0.27 -2.55 -0.16 0.00 0.82 0.00 0.00 66.70 64.54 3gua h VAL 41 Cb 1.10 3.06 -0.26 0.00 -1.52 0.00 0.00 31.29 33.67 3gua h VAL 41 CO 0.87 0.74 -0.39 -0.75 0.02 0.00 0.00 177.57 178.06 3gua s LYS 42 N -2.48 0.32 -0.34 1.57 2.20 -1.24 -4.91 119.74 114.85 3gua s LYS 42 Ca -0.14 0.47 0.02 0.00 -0.36 0.00 0.00 55.97 55.96 3gua s LYS 42 Cb 0.02 0.09 0.10 0.00 -1.51 0.00 0.00 37.83 36.54 3gua s LYS 42 CO 0.85 -0.08 0.09 0.00 -0.36 0.00 0.00 175.35 175.86 3gua s ALA 43 N 0.49 2.28 -0.53 3.13 0.00 -1.26 -0.92 121.76 124.95 3gua s ALA 43 Ca -0.03 -2.21 -0.24 0.00 0.00 0.00 0.00 51.96 49.48 3gua s ALA 43 Cb -0.04 -1.82 0.04 0.00 0.00 0.00 0.00 23.12 21.29 3gua s ALA 43 CO -0.03 -1.72 0.91 0.34 0.00 0.00 0.00 175.76 175.26 3gua s ASP 44 N 1.11 6.37 0.05 0.00 -1.08 0.22 -4.89 116.67 118.45 3gua s ASP 44 Ca 0.11 -0.27 0.27 0.00 -0.52 0.00 0.00 52.55 52.14 3gua s ASP 44 Cb -0.19 -2.43 0.95 0.00 -1.46 0.00 0.00 42.92 39.79 3gua s ASP 44 CO -0.14 -1.16 1.76 -1.54 0.52 0.00 0.00 175.17 174.60 3gua n SER 45 N 7.30 0.29 0.03 -0.34 3.41 -1.26 -0.99 113.62 122.07 3gua n SER 45 Ca 0.02 0.34 0.12 0.00 -0.26 0.00 0.00 58.87 59.09 3gua n SER 45 Cb 0.48 -0.35 0.30 0.00 -0.26 0.00 0.00 64.21 64.37 3gua n SER 45 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3gua n SER 46 N -1.68 0.51 0.00 4.04 3.41 -1.26 -4.12 113.62 114.52 3gua n SER 46 Ca 0.06 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 3gua n SER 46 Cb 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 3gua n SER 46 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3gua n THR 47 N -1.78 0.00 -3.82 6.66 -2.24 -1.20 -5.04 114.28 106.87 3gua n THR 47 Ca 0.05 -0.27 -0.27 0.00 -2.27 0.00 0.00 64.05 61.28 3gua n THR 47 Cb 0.38 1.39 0.01 0.00 -2.10 0.00 0.00 70.33 70.01 3gua n THR 47 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3gua n ASN 48 N -0.08 -2.28 -4.26 3.42 3.02 -0.16 -4.93 115.26 110.00 3gua n ASN 48 Ca 0.00 -0.99 -0.31 0.00 -0.03 0.00 0.00 54.58 53.25 3gua n ASN 48 Cb 0.10 -3.29 -0.16 0.00 -0.61 0.00 0.00 39.78 35.81 3gua n ASN 48 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3gua s GLU 49 N -6.28 2.36 0.01 3.52 2.02 -1.00 -1.50 118.70 117.83 3gua s GLU 49 Ca 0.18 -0.87 0.06 0.00 0.02 0.00 0.00 54.97 54.36 3gua s GLU 49 Cb -0.07 -2.06 -0.02 0.00 0.10 0.00 0.00 34.13 32.09 3gua s GLU 49 CO 0.87 0.40 -0.20 0.08 0.02 0.00 0.00 175.26 176.43 3gua s VAL 50 N -0.23 1.59 -0.26 2.63 1.01 -0.40 -0.61 120.40 124.13 3gua s VAL 50 Ca -0.01 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 60.94 3gua s VAL 50 Cb -0.13 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.91 3gua s VAL 50 CO 0.03 0.35 0.03 -1.81 0.00 0.00 0.00 175.10 173.69 3gua s ASP 51 N -0.73 4.80 0.06 3.32 1.11 -0.10 -1.56 116.67 123.56 3gua s ASP 51 Ca 0.07 -0.60 0.05 0.00 0.18 0.00 0.00 52.55 52.26 3gua s ASP 51 Cb -0.08 -1.82 -0.04 0.00 1.07 0.00 0.00 42.92 42.06 3gua s ASP 51 CO 0.00 -0.12 -0.08 -0.76 1.18 0.00 0.00 175.17 175.39 3gua s LEU 52 N 1.48 3.10 -0.14 1.23 1.43 -0.44 -1.19 118.68 124.15 3gua s LEU 52 Ca 0.03 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 3gua s LEU 52 Cb -0.16 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.22 3gua s LEU 52 CO 0.00 0.22 -0.19 -0.69 0.23 0.00 0.00 176.35 175.93 3gua s VAL 53 N -1.12 2.38 0.17 -1.59 1.01 -0.23 -0.85 120.40 120.17 3gua s VAL 53 Ca 0.20 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 3gua s VAL 53 Cb -0.11 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 3gua s VAL 53 CO 0.11 0.53 0.28 -0.72 0.00 0.00 0.00 175.10 175.31 3gua s TYR 54 N 0.76 0.42 -0.23 5.22 -0.85 -0.74 -0.81 117.35 121.13 3gua s TYR 54 Ca -0.07 -0.78 -0.09 0.00 -0.52 0.00 0.00 57.07 55.61 3gua s TYR 54 Cb -0.16 -0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.08 3gua s TYR 54 CO 0.00 -0.72 0.12 0.71 -1.52 0.00 0.00 175.55 174.13 3gua s TYR 55 N -3.97 3.24 -0.35 -3.49 4.12 0.58 -1.10 117.35 116.38 3gua s TYR 55 Ca 0.18 0.05 -0.10 0.00 0.02 0.00 0.00 57.07 57.21 3gua s TYR 55 Cb 0.03 -2.22 0.02 0.00 -1.52 0.00 0.00 41.96 38.28 3gua s TYR 55 CO 0.01 -0.01 0.18 -2.00 0.02 0.00 0.00 175.55 173.75 3gua s GLU 56 N 1.01 2.97 -0.23 -0.62 2.12 -0.76 -1.37 118.70 121.82 3gua s GLU 56 Ca 0.06 -0.97 -0.12 0.00 0.36 0.00 0.00 54.97 54.30 3gua s GLU 56 Cb -0.14 -3.66 -0.05 0.00 0.26 0.00 0.00 34.13 30.55 3gua s GLU 56 CO 0.04 -0.61 0.20 -1.14 -0.54 0.00 0.00 175.26 173.21 3gua s GLN 57 N 1.56 4.10 -0.03 4.30 0.74 -0.19 -3.21 119.66 126.93 3gua s GLN 57 Ca 0.03 -0.17 0.07 0.00 0.05 0.00 0.00 55.36 55.33 3gua s GLN 57 Cb -0.18 -3.53 -0.02 0.00 1.10 0.00 0.00 33.01 30.37 3gua s GLN 57 CO 0.06 0.06 -0.23 -0.65 -0.55 0.00 0.00 175.29 173.98 3gua s GLN 58 N 1.05 2.21 -0.03 1.67 -0.21 0.12 -2.23 119.66 122.23 3gua s GLN 58 Ca 0.10 -0.87 -0.03 0.00 0.02 0.00 0.00 55.36 54.58 3gua s GLN 58 Cb -0.14 -2.13 0.01 0.00 1.00 0.00 0.00 33.01 31.75 3gua s GLN 58 CO 0.05 0.58 0.07 0.50 -2.12 0.00 0.00 175.29 174.36 3gua s ARG 59 N -0.65 0.10 0.27 2.91 3.00 -0.83 -1.69 118.95 122.07 3gua s ARG 59 Ca 0.10 0.07 -0.20 0.00 -1.00 0.00 0.00 55.73 54.70 3gua s ARG 59 Cb -0.10 0.05 0.02 0.00 0.00 0.00 0.00 34.95 34.92 3gua s ARG 59 CO -0.01 -0.01 0.70 1.67 0.00 0.00 0.00 175.30 177.65 3gua s TRP 60 N -0.05 -0.16 -0.05 5.12 -2.14 -1.06 -0.53 118.94 120.07 3gua s TRP 60 Ca -0.01 -0.28 0.00 0.00 2.66 0.00 0.00 56.10 58.47 3gua s TRP 60 Cb -0.01 0.66 0.02 0.00 -3.10 0.00 0.00 33.47 31.05 3gua s TRP 60 CO 0.00 -1.21 -0.02 0.21 -2.66 0.00 0.00 176.95 173.27 3gua s LYS 61 N -3.92 0.71 -0.09 3.25 2.20 -1.26 0.09 119.74 120.72 3gua s LYS 61 Ca 0.11 -0.01 0.03 0.00 -0.36 0.00 0.00 55.97 55.75 3gua s LYS 61 Cb -0.05 -0.87 -0.01 0.00 -1.51 0.00 0.00 37.83 35.38 3gua s LYS 61 CO 0.06 -0.17 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.17 3gua s LEU 62 N 1.34 2.37 0.33 5.43 1.43 0.05 -4.91 118.68 124.72 3gua s LEU 62 Ca -0.05 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 52.68 3gua s LEU 62 Cb -0.13 -1.48 0.66 0.00 0.03 0.00 0.00 46.19 45.27 3gua s LEU 62 CO -0.02 0.22 1.90 0.78 0.23 0.00 0.00 176.35 179.45 3gua h ASN 63 N 6.30 0.78 0.04 2.29 2.35 -1.89 -1.91 115.58 123.54 3gua h ASN 63 Ca -0.29 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 3gua h ASN 63 Cb 1.20 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.43 3gua h ASN 63 CO 0.50 0.46 0.00 -1.54 -1.65 0.00 0.00 177.43 175.21 3gua n SER 64 N -4.52 0.00 -0.37 5.81 3.41 -1.26 -1.60 113.62 115.09 3gua n SER 64 Ca 0.15 -0.41 0.04 0.00 -0.26 0.00 0.00 58.87 58.39 3gua n SER 64 Cb 0.30 -0.04 0.07 0.00 -0.26 0.00 0.00 64.21 64.28 3gua n SER 64 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gua n LEU 65 N -1.04 2.15 -4.77 1.04 4.77 -0.72 -4.98 117.00 113.45 3gua n LEU 65 Ca 0.11 -1.53 -0.37 0.00 -0.03 0.00 0.00 56.01 54.19 3gua n LEU 65 Cb 0.06 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 3gua n LEU 65 CO 0.09 0.50 0.83 -0.04 -1.33 0.00 0.00 177.39 177.44 3gua s MET 66 N -0.82 3.86 0.16 3.23 -1.94 -0.63 -3.92 119.30 119.25 3gua s MET 66 Ca 0.12 1.78 -0.16 0.00 -1.71 0.00 0.00 55.69 55.73 3gua s MET 66 Cb 0.07 -2.48 0.02 0.00 2.01 0.00 0.00 34.83 34.45 3gua s MET 66 CO 0.10 -0.47 0.44 1.67 -0.01 0.00 0.00 175.02 176.75 3gua s TRP 67 N -1.52 -0.07 -0.36 -0.03 -2.14 -0.32 -4.93 118.94 109.57 3gua s TRP 67 Ca 0.62 -0.27 -0.16 0.00 2.66 0.00 0.00 56.10 58.95 3gua s TRP 67 Cb -0.29 0.27 -0.00 0.00 -3.10 0.00 0.00 33.47 30.35 3gua s TRP 67 CO 0.35 -0.81 0.38 0.34 -2.66 0.00 0.00 176.95 174.56 3gua s ASP 68 N -2.86 6.19 0.56 -2.66 2.15 -1.26 -4.67 116.67 114.11 3gua s ASP 68 Ca 0.08 -0.32 0.29 0.00 0.43 0.00 0.00 52.55 53.03 3gua s ASP 68 Cb 0.01 -2.21 1.46 0.00 -0.30 0.00 0.00 42.92 41.89 3gua s ASP 68 CO -0.06 -0.40 1.92 -0.65 -0.17 0.00 0.00 175.17 175.81 3gua h PRO 69 N 8.52 0.00 -0.04 4.34 0.11 -1.93 0.81 132.00 143.81 3gua h PRO 69 Ca -0.29 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 3gua h PRO 69 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3gua h PRO 69 CO 0.72 0.00 -0.16 -0.91 -0.21 0.00 0.00 178.00 177.44 3gua h ASN 70 N 0.00 0.05 1.14 -2.05 2.35 -1.92 0.31 115.58 115.46 3gua h ASN 70 Ca 0.30 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3gua h ASN 70 Cb 1.33 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.68 3gua h ASN 70 CO -0.00 0.22 -0.31 -0.62 -1.65 0.00 0.00 177.43 175.06 3gua n GLU 71 N -4.32 0.26 -2.48 0.81 1.02 0.27 -4.24 120.64 111.95 3gua n GLU 71 Ca -0.02 0.14 -0.24 0.00 -0.02 0.00 0.00 57.16 57.02 3gua n GLU 71 Cb 0.24 -1.73 0.01 0.00 -0.02 0.00 0.00 31.44 29.94 3gua n GLU 71 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3gua n TYR 72 N -2.14 3.05 -3.88 -0.32 4.01 -0.63 -4.96 117.16 112.29 3gua n TYR 72 Ca 0.05 -3.02 -0.28 0.00 -0.16 0.00 0.00 57.90 54.49 3gua n TYR 72 Cb 0.43 -0.14 0.02 0.00 -0.31 0.00 0.00 39.34 39.34 3gua n TYR 72 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gua n GLY 73 N -0.44 -0.40 2.66 2.72 0.00 -1.17 -1.86 105.19 106.70 3gua n GLY 73 Ca 0.35 0.17 -0.11 0.00 0.00 0.00 0.00 46.02 46.42 3gua n GLY 73 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gua n ASN 74 N -2.90 -5.25 -4.72 1.61 4.13 0.99 -4.95 115.26 104.17 3gua n ASN 74 Ca -0.09 0.28 -0.42 0.00 1.68 0.00 0.00 54.58 56.03 3gua n ASN 74 Cb 0.58 -3.99 -0.03 0.00 -1.54 0.00 0.00 39.78 34.80 3gua n ASN 74 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3gua s ILE 75 N -1.92 2.90 -0.12 2.41 1.01 -0.78 -4.91 121.20 119.80 3gua s ILE 75 Ca 0.00 0.66 0.07 0.00 0.00 0.00 0.00 60.65 61.37 3gua s ILE 75 Cb 0.00 -3.42 -0.09 0.00 0.01 0.00 0.00 42.46 38.96 3gua s ILE 75 CO 0.00 0.06 0.20 0.35 0.00 0.00 0.00 174.94 175.54 3gua n THR 76 N 3.81 0.00 -3.56 2.92 -2.24 -1.26 -4.36 114.28 109.60 3gua n THR 76 Ca 0.12 -0.22 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 3gua n THR 76 Cb 0.40 0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 69.16 3gua n THR 76 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3gua s ASP 77 N -2.36 -0.45 0.03 3.42 -4.77 -1.26 -1.15 116.67 110.12 3gua s ASP 77 Ca -0.01 0.49 -0.03 0.00 -3.30 0.00 0.00 52.55 49.70 3gua s ASP 77 Cb 0.05 0.37 -0.02 0.00 -1.09 0.00 0.00 42.92 42.23 3gua s ASP 77 CO 0.28 -0.42 0.05 0.72 0.70 0.00 0.00 175.17 176.49 3gua s PHE 78 N -1.15 0.26 -0.05 2.11 -0.12 0.12 -4.98 117.98 114.17 3gua s PHE 78 Ca -0.04 -0.58 -0.14 0.00 -0.05 0.00 0.00 56.93 56.12 3gua s PHE 78 Cb -0.00 -0.19 -0.05 0.00 -0.63 0.00 0.00 43.02 42.15 3gua s PHE 78 CO 0.04 -0.32 0.35 1.03 -0.05 0.00 0.00 175.22 176.27 3gua s ARG 79 N -2.46 3.92 0.04 1.99 3.00 -1.26 -0.77 118.95 123.41 3gua s ARG 79 Ca -0.06 0.27 -0.05 0.00 0.00 0.00 0.00 55.73 55.89 3gua s ARG 79 Cb -0.02 -3.26 -0.01 0.00 0.00 0.00 0.00 34.95 31.65 3gua s ARG 79 CO -0.04 0.59 0.09 -0.08 0.00 0.00 0.00 175.30 175.86 3gua s THR 80 N -0.69 0.14 0.34 0.02 -1.32 -0.63 -4.99 115.64 108.51 3gua s THR 80 Ca 0.21 -1.13 -0.29 0.00 -1.21 0.00 0.00 61.69 59.28 3gua s THR 80 Cb -0.15 -0.93 -0.11 0.00 -1.51 0.00 0.00 72.50 69.80 3gua s THR 80 CO 0.10 -0.62 1.51 -0.55 -2.21 0.00 0.00 174.62 172.85 3gua s SER 81 N -2.18 6.39 0.60 8.08 0.15 -1.26 -0.80 113.70 124.68 3gua s SER 81 Ca -0.04 2.98 0.35 0.00 0.70 0.00 0.00 55.95 59.95 3gua s SER 81 Cb -0.01 -2.65 1.94 0.00 -1.71 0.00 0.00 66.02 63.59 3gua s SER 81 CO -0.05 -0.86 2.24 0.00 1.20 0.00 0.00 173.24 175.77 3gua h ALA 82 N 3.74 1.22 0.00 5.45 0.00 -1.12 -0.36 119.26 128.18 3gua h ALA 82 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3gua h ALA 82 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gua h ALA 82 CO 0.70 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.98 3gua n ALA 83 N -2.20 2.06 1.17 0.00 0.00 -1.26 -3.06 120.51 117.21 3gua n ALA 83 Ca -0.02 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.48 3gua n ALA 83 Cb 0.13 -1.38 0.48 0.00 0.00 0.00 0.00 19.45 18.68 3gua n ALA 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gua n ASP 84 N -1.59 0.41 -4.10 0.00 8.00 -0.15 -4.91 116.55 114.21 3gua n ASP 84 Ca 0.05 -0.23 -0.08 0.00 0.71 0.00 0.00 54.79 55.24 3gua n ASP 84 Cb 0.28 -0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.22 3gua n ASP 84 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3gua s ILE 85 N -2.77 0.34 0.38 0.53 -4.36 -1.17 -5.06 121.20 109.08 3gua s ILE 85 Ca 0.19 -1.74 -0.27 0.00 -0.26 0.00 0.00 60.65 58.56 3gua s ILE 85 Cb 0.19 -1.43 -0.10 0.00 1.25 0.00 0.00 42.46 42.37 3gua s ILE 85 CO 0.56 -0.91 1.36 0.86 0.24 0.00 0.00 174.94 177.06 3gua s TRP 86 N -3.56 2.81 0.06 1.37 -0.00 -1.26 -4.95 118.94 113.40 3gua s TRP 86 Ca 0.06 1.34 0.03 0.00 -0.00 0.00 0.00 56.10 57.52 3gua s TRP 86 Cb 0.05 -3.79 -0.03 0.00 -0.00 0.00 0.00 33.47 29.71 3gua s TRP 86 CO -0.08 -2.32 -0.09 0.95 -0.00 0.00 0.00 176.95 175.42 3gua s THR 87 N -1.18 0.68 0.54 5.86 -4.23 -1.26 -5.10 115.64 110.95 3gua s THR 87 Ca 0.53 -1.33 -0.18 0.00 -1.18 0.00 0.00 61.69 59.54 3gua s THR 87 Cb -0.41 -0.95 -0.06 0.00 1.34 0.00 0.00 72.50 72.42 3gua s THR 87 CO 0.55 -0.48 1.04 -2.16 -0.54 0.00 0.00 174.62 173.03 3gua s PRO 88 N -2.16 3.58 -0.53 3.99 0.04 -1.26 -4.93 135.00 133.72 3gua s PRO 88 Ca -0.03 1.24 -0.04 0.00 0.04 0.00 0.00 61.00 62.21 3gua s PRO 88 Cb -0.06 -2.07 0.11 0.00 0.04 0.00 0.00 34.50 32.52 3gua s PRO 88 CO -0.00 -0.60 2.65 -0.40 0.04 0.00 0.00 177.00 178.69 3gua n ASP 89 N -1.55 6.66 -4.65 6.66 5.75 -1.26 -4.97 116.55 123.19 3gua n ASP 89 Ca 0.09 -3.30 -0.43 0.00 -0.01 0.00 0.00 54.79 51.14 3gua n ASP 89 Cb 0.53 -1.21 -0.02 0.00 -1.03 0.00 0.00 41.12 39.38 3gua n ASP 89 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3gua s ILE 90 N -2.66 3.94 0.15 2.12 -1.09 -1.26 -2.66 121.20 119.74 3gua s ILE 90 Ca 0.58 1.11 0.09 0.00 -2.23 0.00 0.00 60.65 60.19 3gua s ILE 90 Cb 0.39 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 37.39 3gua s ILE 90 CO -0.25 -0.23 -0.20 -0.89 -1.23 0.00 0.00 174.94 172.13 3gua s THR 91 N 4.28 1.91 0.06 2.92 2.01 0.53 -4.87 115.64 122.47 3gua s THR 91 Ca 0.64 -1.83 -0.30 0.00 0.31 0.00 0.00 61.69 60.50 3gua s THR 91 Cb -0.24 -1.82 -0.05 0.00 0.01 0.00 0.00 72.50 70.40 3gua s THR 91 CO 0.23 -0.19 1.09 0.00 -0.69 0.00 0.00 174.62 175.06 3gua s ALA 92 N -1.70 3.29 -0.33 7.40 0.00 -1.26 -1.20 121.76 127.95 3gua s ALA 92 Ca 0.14 0.71 0.22 0.00 0.00 0.00 0.00 51.96 53.02 3gua s ALA 92 Cb -0.07 -3.38 0.34 0.00 0.00 0.00 0.00 23.12 20.01 3gua s ALA 92 CO 0.06 -0.30 1.60 1.88 0.00 0.00 0.00 175.76 179.00 3gua h TYR 93 N 6.49 0.00 -0.63 0.00 0.05 -1.13 -3.36 116.97 118.40 3gua h TYR 93 Ca -0.42 0.00 -0.44 0.00 0.05 0.00 0.00 58.73 57.92 3gua h TYR 93 Cb 1.22 0.00 -0.41 0.00 1.01 0.00 0.00 36.73 38.54 3gua h TYR 93 CO 0.67 0.12 -0.91 -1.13 -1.05 0.00 0.00 178.16 175.85 3gua n SER 94 N -3.14 3.77 -4.80 3.88 3.41 -1.26 -5.03 113.62 110.46 3gua n SER 94 Ca 0.03 -3.19 -0.31 0.00 -0.26 0.00 0.00 58.87 55.14 3gua n SER 94 Cb 0.56 -0.39 0.05 0.00 -0.26 0.00 0.00 64.21 64.18 3gua n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3gua s SER 95 N -3.65 5.27 0.00 4.04 1.04 -1.26 -1.70 113.70 117.44 3gua s SER 95 Ca 0.43 1.71 0.03 0.00 0.48 0.00 0.00 55.95 58.60 3gua s SER 95 Cb 0.38 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.98 3gua s SER 95 CO 0.01 -1.52 0.25 0.35 0.98 0.00 0.00 173.24 173.31 3gua n THR 96 N -2.97 0.00 -3.93 2.02 -2.24 0.14 -4.79 114.28 102.52 3gua n THR 96 Ca 0.08 -0.45 -0.10 0.00 -2.27 0.00 0.00 64.05 61.31 3gua n THR 96 Cb 0.53 1.02 -0.10 0.00 -2.10 0.00 0.00 70.33 69.68 3gua n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3gua s ARG 97 N -0.97 0.51 0.31 -0.78 1.81 -1.24 -5.04 118.95 113.55 3gua s ARG 97 Ca 0.02 -0.63 -0.29 0.00 -1.72 0.00 0.00 55.73 53.10 3gua s ARG 97 Cb 0.02 0.20 -0.12 0.00 -0.45 0.00 0.00 34.95 34.60 3gua s ARG 97 CO 0.09 -0.12 1.50 -2.30 -0.68 0.00 0.00 175.30 173.79 3gua n PRO 98 N 1.11 2.50 -1.70 3.54 -0.02 -1.26 -4.61 135.00 134.56 3gua n PRO 98 Ca -0.21 0.89 -0.40 0.00 -2.02 0.00 0.00 63.50 61.76 3gua n PRO 98 Cb 0.57 -2.61 0.03 0.00 -0.02 0.00 0.00 33.50 31.47 3gua n PRO 98 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3gua n VAL 99 N 1.47 3.12 -4.26 -1.45 0.31 -1.26 -4.88 118.33 111.38 3gua n VAL 99 Ca 0.07 -0.50 -0.34 0.00 -0.01 0.00 0.00 64.34 63.56 3gua n VAL 99 Cb 0.36 -1.53 -0.12 0.00 -0.91 0.00 0.00 33.84 31.65 3gua n VAL 99 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3gua s GLN 100 N -2.49 3.69 -0.15 5.55 -0.21 -0.59 -4.98 119.66 120.47 3gua s GLN 100 Ca 0.66 -0.50 -0.20 0.00 0.02 0.00 0.00 55.36 55.34 3gua s GLN 100 Cb -0.47 -3.00 -0.03 0.00 1.00 0.00 0.00 33.01 30.51 3gua s GLN 100 CO 0.54 0.17 0.59 0.08 -2.12 0.00 0.00 175.29 174.55 3gua s VAL 101 N 0.56 5.08 -0.34 1.09 1.01 -1.26 -1.06 120.40 125.48 3gua s VAL 101 Ca -0.02 1.15 0.20 0.00 0.00 0.00 0.00 61.98 63.31 3gua s VAL 101 Cb -0.14 -3.92 -0.27 0.00 0.00 0.00 0.00 36.38 32.05 3gua s VAL 101 CO 0.02 0.20 0.57 0.18 0.00 0.00 0.00 175.10 176.08 3gua n LEU 102 N 4.41 0.32 -4.63 3.92 4.77 0.10 -4.98 117.00 120.91 3gua n LEU 102 Ca -0.03 -0.18 -0.26 0.00 -0.03 0.00 0.00 56.01 55.51 3gua n LEU 102 Cb 0.51 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 3gua n LEU 102 CO 0.44 0.08 -0.29 -0.94 -1.33 0.00 0.00 177.39 175.36 3gua s SER 103 N -3.77 4.06 0.74 -1.43 1.04 -1.24 -4.94 113.70 108.17 3gua s SER 103 Ca -0.02 -1.16 -0.15 0.00 0.48 0.00 0.00 55.95 55.10 3gua s SER 103 Cb 0.13 -0.45 0.05 0.00 0.10 0.00 0.00 66.02 65.85 3gua s SER 103 CO 0.82 -0.35 1.24 -2.84 0.98 0.00 0.00 173.24 173.08 3gua s PRO 104 N -3.73 2.01 -1.16 4.02 0.02 -1.26 -4.84 135.00 130.05 3gua s PRO 104 Ca 0.36 1.88 -0.10 0.00 0.02 0.00 0.00 61.00 63.16 3gua s PRO 104 Cb 0.04 -1.80 0.24 0.00 0.02 0.00 0.00 34.50 32.99 3gua s PRO 104 CO 0.19 -1.96 1.38 1.04 -0.33 0.00 0.00 177.00 177.31 3gua n GLN 105 N -2.74 3.67 -4.48 5.54 1.13 -1.26 -4.82 117.38 114.42 3gua n GLN 105 Ca 0.14 -4.17 -0.22 0.00 -1.94 0.00 0.00 57.00 50.81 3gua n GLN 105 Cb 0.50 -2.74 -0.16 0.00 0.11 0.00 0.00 30.24 27.95 3gua n GLN 105 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3gua s ILE 106 N -0.48 0.94 0.28 5.09 1.01 -1.26 -0.52 121.20 126.25 3gua s ILE 106 Ca 0.36 -0.41 0.09 0.00 0.00 0.00 0.00 60.65 60.68 3gua s ILE 106 Cb -0.03 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 3gua s ILE 106 CO -0.01 0.30 0.08 0.00 0.00 0.00 0.00 174.94 175.31 3gua s ALA 107 N 0.39 3.35 -0.17 9.38 0.00 0.02 -4.60 121.76 130.12 3gua s ALA 107 Ca -0.07 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.27 3gua s ALA 107 Cb -0.12 -0.92 0.01 0.00 0.00 0.00 0.00 23.12 22.09 3gua s ALA 107 CO 0.02 0.22 -0.16 0.08 0.00 0.00 0.00 175.76 175.91 3gua s VAL 108 N -2.29 2.47 -0.14 0.00 1.01 -0.16 -1.60 120.40 119.69 3gua s VAL 108 Ca 0.33 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 3gua s VAL 108 Cb -0.06 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 3gua s VAL 108 CO 0.22 0.51 0.01 -0.69 0.00 0.00 0.00 175.10 175.16 3gua s VAL 109 N 1.09 4.37 0.19 2.92 1.01 0.05 -0.71 120.40 129.31 3gua s VAL 109 Ca -0.00 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.86 3gua s VAL 109 Cb -0.14 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 3gua s VAL 109 CO -0.05 0.53 -0.03 -0.89 0.00 0.00 0.00 175.10 174.65 3gua s THR 110 N -0.12 3.50 0.58 3.92 2.01 -0.33 -0.70 115.64 124.50 3gua s THR 110 Ca 0.05 -1.56 0.28 0.00 0.31 0.00 0.00 61.69 60.77 3gua s THR 110 Cb -0.13 -2.76 0.35 0.00 0.01 0.00 0.00 72.50 69.97 3gua s THR 110 CO 0.02 -0.14 2.18 1.12 -0.69 0.00 0.00 174.62 177.11 3gua h HIS 111 N 2.69 0.00 0.00 4.92 2.07 -1.43 0.24 115.15 123.64 3gua h HIS 111 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 3gua h HIS 111 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 3gua h HIS 111 CO 0.64 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.10 3gua n ASP 112 N -3.88 0.00 0.00 3.10 5.75 -1.26 -1.18 116.55 119.08 3gua n ASP 112 Ca -0.01 -0.70 0.00 0.00 -0.01 0.00 0.00 54.79 54.08 3gua n ASP 112 Cb 0.20 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 3gua n ASP 112 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gua n GLY 113 N 0.53 0.74 3.76 6.12 0.00 0.84 -4.65 105.19 112.53 3gua n GLY 113 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3gua n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gua s SER 114 N -2.59 7.38 -0.05 1.61 1.04 -1.21 -0.77 113.70 119.12 3gua s SER 114 Ca 0.00 1.64 0.02 0.00 0.48 0.00 0.00 55.95 58.09 3gua s SER 114 Cb 0.00 -2.52 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 3gua s SER 114 CO 0.00 0.11 -0.08 -0.69 0.98 0.00 0.00 173.24 173.55 3gua s VAL 115 N -0.65 3.56 -0.12 5.02 1.01 0.11 -1.18 120.40 128.14 3gua s VAL 115 Ca 0.39 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.77 3gua s VAL 115 Cb -0.23 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.70 3gua s VAL 115 CO 0.26 0.54 -0.14 -0.32 0.00 0.00 0.00 175.10 175.45 3gua s MET 116 N -0.96 2.14 -0.11 2.72 1.75 0.11 -2.55 119.30 122.40 3gua s MET 116 Ca 0.13 -0.51 -0.01 0.00 -1.25 0.00 0.00 55.69 54.06 3gua s MET 116 Cb -0.11 -1.92 0.03 0.00 2.84 0.00 0.00 34.83 35.66 3gua s MET 116 CO 0.03 -0.16 -0.07 0.12 -0.65 0.00 0.00 175.02 174.29 3gua s PHE 117 N 1.29 1.40 -0.54 4.11 5.36 -0.68 -0.99 117.98 127.92 3gua s PHE 117 Ca -0.00 -0.69 0.06 0.00 -0.96 0.00 0.00 56.93 55.34 3gua s PHE 117 Cb -0.14 -1.19 0.21 0.00 -0.34 0.00 0.00 43.02 41.57 3gua s PHE 117 CO -0.06 -0.50 0.52 -0.89 -1.46 0.00 0.00 175.22 172.83 3gua n ILE 118 N 4.97 0.56 -2.56 3.12 5.41 -1.26 0.13 119.36 129.72 3gua n ILE 118 Ca -0.12 -4.39 -0.39 0.00 1.00 0.00 0.00 62.75 58.85 3gua n ILE 118 Cb 0.50 -1.98 -0.05 0.00 -0.71 0.00 0.00 39.64 37.41 3gua n ILE 118 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3gua s PRO 119 N -1.27 4.50 0.07 0.38 0.04 -1.20 -4.79 135.00 132.73 3gua s PRO 119 Ca 0.33 1.62 -0.22 0.00 0.04 0.00 0.00 61.00 62.77 3gua s PRO 119 Cb 0.07 -2.94 -0.06 0.00 0.04 0.00 0.00 34.50 31.61 3gua s PRO 119 CO -0.12 0.13 0.67 0.00 0.04 0.00 0.00 177.00 177.72 3gua s ALA 120 N -1.38 3.47 0.03 8.56 0.00 -1.26 -1.83 121.76 129.35 3gua s ALA 120 Ca 0.49 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.63 3gua s ALA 120 Cb -0.27 -2.83 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 3gua s ALA 120 CO 0.34 0.23 -0.05 -0.65 0.00 0.00 0.00 175.76 175.62 3gua s GLN 121 N -0.60 0.39 -0.21 0.00 -0.21 -0.25 0.02 119.66 118.79 3gua s GLN 121 Ca 0.33 -0.64 -0.05 0.00 0.02 0.00 0.00 55.36 55.02 3gua s GLN 121 Cb -0.20 -0.07 -0.02 0.00 1.00 0.00 0.00 33.01 33.72 3gua s GLN 121 CO 0.21 -0.00 -0.01 0.50 -2.12 0.00 0.00 175.29 173.87 3gua s ARG 122 N -1.44 3.55 -0.10 2.91 3.52 -0.22 -1.78 118.95 125.38 3gua s ARG 122 Ca -0.13 -0.55 0.03 0.00 -0.13 0.00 0.00 55.73 54.96 3gua s ARG 122 Cb -0.10 -3.07 -0.00 0.00 -1.56 0.00 0.00 34.95 30.22 3gua s ARG 122 CO -0.00 -0.06 -0.22 -1.17 -0.81 0.00 0.00 175.30 173.03 3gua s LEU 123 N 1.18 2.20 -0.25 -0.88 2.96 -0.03 -1.54 118.68 122.31 3gua s LEU 123 Ca 0.03 -0.52 -0.10 0.00 -0.22 0.00 0.00 54.13 53.32 3gua s LEU 123 Cb -0.14 -1.44 -0.05 0.00 0.50 0.00 0.00 46.19 45.06 3gua s LEU 123 CO 0.01 0.17 0.16 -0.44 -1.32 0.00 0.00 176.35 174.92 3gua s SER 124 N 0.30 5.98 0.13 3.68 0.01 -1.26 -1.32 113.70 121.21 3gua s SER 124 Ca -0.16 0.05 -0.00 0.00 1.31 0.00 0.00 55.95 57.14 3gua s SER 124 Cb -0.17 -2.09 -0.04 0.00 0.21 0.00 0.00 66.02 63.93 3gua s SER 124 CO 0.08 0.03 0.02 0.72 0.41 0.00 0.00 173.24 174.50 3gua s PHE 125 N 1.28 0.91 -0.12 2.43 -0.12 -0.60 0.28 117.98 122.04 3gua s PHE 125 Ca 0.07 -1.13 -0.29 0.00 -0.05 0.00 0.00 56.93 55.53 3gua s PHE 125 Cb -0.14 -0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 41.68 3gua s PHE 125 CO 0.06 -0.38 1.54 -1.64 -0.05 0.00 0.00 175.22 174.75 3gua s MET 126 N -3.98 4.12 -0.29 1.99 -1.94 -0.69 -1.27 119.30 117.25 3gua s MET 126 Ca 0.20 1.94 -0.15 0.00 -1.71 0.00 0.00 55.69 55.98 3gua s MET 126 Cb 0.07 -3.93 0.11 0.00 2.01 0.00 0.00 34.83 33.08 3gua s MET 126 CO 0.00 -0.89 0.75 0.00 -0.01 0.00 0.00 175.02 174.86 3gua s ASP 128 N 1.93 6.35 -0.11 0.00 2.15 -1.26 -3.24 116.67 122.49 3gua s ASP 128 Ca -0.08 -0.07 0.05 0.00 0.43 0.00 0.00 52.55 52.87 3gua s ASP 128 Cb -0.06 -2.30 0.31 0.00 -0.30 0.00 0.00 42.92 40.57 3gua s ASP 128 CO -0.19 -0.60 1.08 -0.81 -0.17 0.00 0.00 175.17 174.48 3gua n PRO 129 N 5.98 2.32 -1.81 4.34 -0.04 -1.26 -4.71 135.00 139.82 3gua n PRO 129 Ca -0.03 -1.24 -0.42 0.00 -0.04 0.00 0.00 63.50 61.77 3gua n PRO 129 Cb 0.48 -1.73 -0.03 0.00 -0.04 0.00 0.00 33.50 32.18 3gua n PRO 129 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3gua s THR 130 N -1.61 2.45 0.00 0.52 2.01 -1.26 -2.05 115.64 115.70 3gua s THR 130 Ca 0.22 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.42 3gua s THR 130 Cb 0.17 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.55 3gua s THR 130 CO 0.06 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 3gua n GLY 131 N 3.98 0.73 0.25 4.40 0.00 -1.26 -4.43 105.19 108.86 3gua n GLY 131 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 3gua n GLY 131 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3gua h VAL 132 N 0.00 0.61 -0.01 1.61 3.04 -1.60 -1.14 116.25 118.75 3gua h VAL 132 Ca 0.00 -0.67 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 3gua h VAL 132 Cb 0.00 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.71 3gua h VAL 132 CO 0.00 0.15 0.00 -0.90 -1.01 0.00 0.00 177.57 175.81 3gua n ASP 133 N -3.63 0.30 -3.71 3.17 5.75 -1.26 -0.48 116.55 116.68 3gua n ASP 133 Ca -0.01 -1.25 -0.16 0.00 -0.01 0.00 0.00 54.79 53.36 3gua n ASP 133 Cb 0.28 -0.01 -0.00 0.00 -1.03 0.00 0.00 41.12 40.36 3gua n ASP 133 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3gua n SER 134 N -0.69 2.15 0.12 -1.12 3.41 -0.44 -4.96 113.62 112.08 3gua n SER 134 Ca 0.20 -2.17 -0.23 0.00 -0.26 0.00 0.00 58.87 56.40 3gua n SER 134 Cb 0.14 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.95 3gua n SER 134 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3gua h GLU 135 N 0.00 0.56 0.00 4.33 4.81 -1.89 -3.24 114.58 119.15 3gua h GLU 135 Ca -0.22 -0.86 0.00 0.00 -0.13 0.00 0.00 59.36 58.15 3gua h GLU 135 Cb 0.77 0.31 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3gua h GLU 135 CO 0.34 1.40 0.00 -0.85 -0.73 0.00 0.00 179.01 179.18 3gua n GLU 136 N -3.74 0.22 0.00 1.92 0.00 -1.26 -5.00 120.64 112.77 3gua n GLU 136 Ca -0.15 0.23 0.00 0.00 0.00 0.00 0.00 57.16 57.24 3gua n GLU 136 Cb 1.05 -1.78 0.00 0.00 0.00 0.00 0.00 31.44 30.71 3gua n GLU 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3gua n GLY 137 N 1.07 -1.48 3.55 -1.84 0.00 -1.16 -4.85 105.19 100.48 3gua n GLY 137 Ca 0.05 -1.27 -0.26 0.00 0.00 0.00 0.00 46.02 44.55 3gua n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gua s ALA 138 N -1.27 2.91 -0.07 4.61 0.00 0.70 -4.31 121.76 124.33 3gua s ALA 138 Ca 0.00 -1.58 0.04 0.00 0.00 0.00 0.00 51.96 50.42 3gua s ALA 138 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.49 3gua s ALA 138 CO 0.00 0.40 -0.20 0.99 0.00 0.00 0.00 175.76 176.95 3gua s THR 139 N -1.93 1.71 0.10 0.00 2.01 -1.26 -0.98 115.64 115.30 3gua s THR 139 Ca 0.26 -0.84 0.04 0.00 0.31 0.00 0.00 61.69 61.46 3gua s THR 139 Cb -0.08 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 3gua s THR 139 CO 0.15 0.48 -0.10 0.00 -0.69 0.00 0.00 174.62 174.46 3gua s ALA 141 N -2.47 0.15 -0.05 0.00 0.00 -1.26 -0.24 121.76 117.89 3gua s ALA 141 Ca 0.06 -0.43 -0.04 0.00 0.00 0.00 0.00 51.96 51.56 3gua s ALA 141 Cb -0.03 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.20 3gua s ALA 141 CO 0.00 -0.09 0.13 0.54 0.00 0.00 0.00 175.76 176.35 3gua s VAL 142 N -0.98 -0.02 -0.05 0.00 0.11 -0.30 -4.93 120.40 114.23 3gua s VAL 142 Ca -0.10 0.07 -0.12 0.00 -2.93 0.00 0.00 61.98 58.90 3gua s VAL 142 Cb -0.07 -0.20 -0.05 0.00 -1.53 0.00 0.00 36.38 34.53 3gua s VAL 142 CO -0.01 0.03 0.30 -0.54 -3.33 0.00 0.00 175.10 171.56 3gua s LYS 143 N 0.48 3.74 -0.05 1.54 1.02 -1.26 -0.73 119.74 124.48 3gua s LYS 143 Ca -0.03 0.20 0.06 0.00 0.02 0.00 0.00 55.97 56.22 3gua s LYS 143 Cb -0.05 -3.21 -0.02 0.00 -0.52 0.00 0.00 37.83 34.03 3gua s LYS 143 CO -0.02 0.72 -0.23 -0.06 -0.92 0.00 0.00 175.35 174.84 3gua s PHE 144 N -1.03 2.48 0.07 3.18 0.08 0.80 -0.44 117.98 123.12 3gua s PHE 144 Ca 0.20 -0.53 -0.26 0.00 0.12 0.00 0.00 56.93 56.46 3gua s PHE 144 Cb -0.15 -1.59 0.09 0.00 -0.57 0.00 0.00 43.02 40.80 3gua s PHE 144 CO 0.10 -0.09 1.17 0.20 -0.10 0.00 0.00 175.22 176.50 3gua s GLY 145 N -0.37 -0.12 0.57 4.36 0.00 -0.34 0.37 107.32 111.79 3gua s GLY 145 Ca 0.03 0.07 -0.20 0.00 0.00 0.00 0.00 44.72 44.61 3gua s GLY 145 CO 0.02 2.82 1.27 -0.45 0.00 0.00 0.00 173.10 176.76 3gua s SER 146 N -3.41 5.22 0.01 1.64 0.15 -1.26 -0.34 113.70 115.71 3gua s SER 146 Ca 0.22 2.55 -0.01 0.00 0.70 0.00 0.00 55.95 59.40 3gua s SER 146 Cb -0.00 -2.62 -0.27 0.00 -1.71 0.00 0.00 66.02 61.42 3gua s SER 146 CO 0.01 -1.58 0.90 -0.25 1.20 0.00 0.00 173.24 173.52 3gua h TRP 147 N 1.16 0.39 0.00 3.44 2.91 -1.88 -3.42 115.95 118.55 3gua h TRP 147 Ca -0.51 -0.29 0.00 0.00 1.13 0.00 0.00 58.89 59.23 3gua h TRP 147 Cb 1.30 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.93 3gua h TRP 147 CO 0.46 1.32 0.00 1.33 -1.03 0.00 0.00 178.44 180.52 3gua n VAL 148 N -3.43 0.00 -3.91 2.65 0.24 -1.26 -5.04 118.33 107.58 3gua n VAL 148 Ca -0.15 -0.32 -0.35 0.00 -2.04 0.00 0.00 64.34 61.48 3gua n VAL 148 Cb 1.03 1.11 -0.09 0.00 -1.47 0.00 0.00 33.84 34.42 3gua n VAL 148 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3gua s TYR 149 N -0.45 3.32 0.90 6.34 2.02 -1.26 -5.11 117.35 123.11 3gua s TYR 149 Ca 0.00 0.18 -0.14 0.00 -0.37 0.00 0.00 57.07 56.74 3gua s TYR 149 Cb 0.00 -2.10 0.16 0.00 -0.40 0.00 0.00 41.96 39.62 3gua s TYR 149 CO 0.00 0.22 1.25 -1.54 -1.57 0.00 0.00 175.55 173.92 3gua s SER 150 N 0.31 3.61 0.56 2.29 1.04 -1.26 -4.69 113.70 115.56 3gua s SER 150 Ca 0.05 0.36 0.30 0.00 0.48 0.00 0.00 55.95 57.14 3gua s SER 150 Cb -0.12 -0.56 1.67 0.00 0.10 0.00 0.00 66.02 67.11 3gua s SER 150 CO -0.01 -2.42 2.17 1.23 0.98 0.00 0.00 173.24 175.19 3gua h GLY 151 N -1.38 0.00 2.00 7.32 0.00 0.46 -0.11 103.07 111.36 3gua h GLY 151 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3gua h GLY 151 CO 0.46 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.74 3gua h PHE 152 N 0.00 0.00 0.00 5.60 0.04 -1.93 -3.33 116.94 117.31 3gua h PHE 152 Ca -0.00 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.58 3gua h PHE 152 Cb 0.18 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 3gua h PHE 152 CO 0.00 0.00 -1.51 0.39 -0.60 0.00 0.00 178.31 176.59 3gua n GLU 153 N -2.86 0.30 -4.10 1.51 4.71 -0.51 -4.30 120.64 115.38 3gua n GLU 153 Ca 0.01 0.13 -0.33 0.00 -0.01 0.00 0.00 57.16 56.96 3gua n GLU 153 Cb 0.28 -1.01 -0.16 0.00 -1.01 0.00 0.00 31.44 29.54 3gua n GLU 153 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 3gua s ILE 154 N -2.31 2.17 -0.04 -3.67 1.01 -0.17 -0.86 121.20 117.33 3gua s ILE 154 Ca -0.19 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 59.50 3gua s ILE 154 Cb 0.06 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 3gua s ILE 154 CO 0.25 0.52 0.18 -0.62 0.00 0.00 0.00 174.94 175.27 3gua s ASP 155 N 1.30 6.39 0.12 3.58 2.15 0.18 -3.78 116.67 126.61 3gua s ASP 155 Ca 0.05 0.41 0.04 0.00 0.43 0.00 0.00 52.55 53.47 3gua s ASP 155 Cb -0.13 -2.03 -0.04 0.00 -0.30 0.00 0.00 42.92 40.42 3gua s ASP 155 CO -0.12 0.31 0.12 -0.76 -0.17 0.00 0.00 175.17 174.54 3gua s LEU 156 N -1.64 3.84 0.08 -1.34 1.43 -1.26 -0.32 118.68 119.47 3gua s LEU 156 Ca 0.24 -0.05 -0.18 0.00 -1.03 0.00 0.00 54.13 53.11 3gua s LEU 156 Cb -0.12 -2.48 0.04 0.00 0.03 0.00 0.00 46.19 43.65 3gua s LEU 156 CO 0.14 0.12 0.42 -1.59 0.23 0.00 0.00 176.35 175.67 3gua s LYS 157 N -2.75 1.01 0.20 1.70 -2.85 -0.53 -4.91 119.74 111.60 3gua s LYS 157 Ca 0.30 -0.52 0.10 0.00 -1.00 0.00 0.00 55.97 54.85 3gua s LYS 157 Cb -0.11 0.45 -0.04 0.00 -2.06 0.00 0.00 37.83 36.06 3gua s LYS 157 CO 0.23 -0.37 -0.11 0.95 0.10 0.00 0.00 175.35 176.14 3gua s THR 158 N -3.13 3.04 -0.21 3.79 -4.23 -1.26 -0.41 115.64 113.23 3gua s THR 158 Ca -0.01 -1.79 0.17 0.00 -1.18 0.00 0.00 61.69 58.88 3gua s THR 158 Cb 0.00 -2.52 0.11 0.00 1.34 0.00 0.00 72.50 71.43 3gua s THR 158 CO -0.07 -0.16 1.43 0.44 -0.54 0.00 0.00 174.62 175.73 3gua h ASP 159 N 2.81 0.00 -5.00 3.99 3.32 -1.97 -3.48 116.42 116.09 3gua h ASP 159 Ca -0.46 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.57 3gua h ASP 159 Cb 1.21 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.64 3gua h ASP 159 CO 0.54 0.40 0.21 0.28 -1.72 0.00 0.00 179.24 178.94 3gua s THR 160 N -3.02 0.00 -0.73 0.35 -1.32 -1.26 -5.04 115.64 104.62 3gua s THR 160 Ca 0.04 -0.04 0.26 0.00 -1.21 0.00 0.00 61.69 60.74 3gua s THR 160 Cb 0.07 -1.03 0.25 0.00 -1.51 0.00 0.00 72.50 70.28 3gua s THR 160 CO 0.74 -0.01 1.71 0.47 -2.21 0.00 0.00 174.62 175.32 3gua n ASP 161 N -0.38 0.78 -4.62 8.08 8.00 -1.26 -4.73 116.55 122.42 3gua n ASP 161 Ca -0.17 0.50 -0.41 0.00 0.71 0.00 0.00 54.79 55.43 3gua n ASP 161 Cb 0.65 -0.64 -0.07 0.00 -0.02 0.00 0.00 41.12 41.04 3gua n ASP 161 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3gua s GLN 162 N -3.11 4.04 0.17 -1.24 -1.52 -1.26 -0.52 119.66 116.23 3gua s GLN 162 Ca 0.10 0.42 -0.31 0.00 -1.95 0.00 0.00 55.36 53.62 3gua s GLN 162 Cb 0.13 -3.67 -0.10 0.00 -0.22 0.00 0.00 33.01 29.15 3gua s GLN 162 CO 0.61 -0.44 1.52 0.08 -0.25 0.00 0.00 175.29 176.82 3gua s VAL 163 N 2.48 2.72 -0.38 1.09 1.01 -0.61 -4.84 120.40 121.87 3gua s VAL 163 Ca 0.25 0.53 -0.28 0.00 0.00 0.00 0.00 61.98 62.47 3gua s VAL 163 Cb -0.15 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 3gua s VAL 163 CO 0.09 0.05 1.77 -0.62 0.00 0.00 0.00 175.10 176.39 3gua s ASP 164 N 1.01 5.85 0.00 3.32 2.15 -0.20 -4.86 116.67 123.94 3gua s ASP 164 Ca 0.68 1.12 0.19 0.00 0.43 0.00 0.00 52.55 54.97 3gua s ASP 164 Cb -0.42 -2.53 0.53 0.00 -0.30 0.00 0.00 42.92 40.20 3gua s ASP 164 CO 0.33 -1.77 1.44 0.18 -0.17 0.00 0.00 175.17 175.18 3gua n LEU 165 N 10.47 3.61 0.07 -1.34 4.77 -1.26 -2.17 117.00 131.15 3gua n LEU 165 Ca 0.22 -1.96 0.10 0.00 -0.03 0.00 0.00 56.01 54.35 3gua n LEU 165 Cb 0.48 -0.40 0.43 0.00 -2.33 0.00 0.00 43.42 41.60 3gua n LEU 165 CO 0.69 0.89 0.83 -1.54 -1.33 0.00 0.00 177.39 176.93 3gua n SER 166 N 1.30 0.38 -0.43 -1.43 3.41 -1.26 -2.33 113.62 113.26 3gua n SER 166 Ca 0.20 0.58 0.04 0.00 -0.26 0.00 0.00 58.87 59.43 3gua n SER 166 Cb 0.56 -0.66 0.10 0.00 -0.26 0.00 0.00 64.21 63.95 3gua n SER 166 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3gua n SER 167 N -1.90 2.53 -4.73 4.04 7.64 -1.26 -5.02 113.62 114.92 3gua n SER 167 Ca 0.04 -1.92 -0.42 0.00 1.01 0.00 0.00 58.87 57.57 3gua n SER 167 Cb 0.24 -0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 3gua n SER 167 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3gua s TYR 168 N -0.96 3.06 -0.18 1.43 5.04 -0.98 -4.60 117.35 120.16 3gua s TYR 168 Ca 0.15 0.86 -0.32 0.00 -2.44 0.00 0.00 57.07 55.32 3gua s TYR 168 Cb 0.08 -3.85 -0.09 0.00 0.35 0.00 0.00 41.96 38.45 3gua s TYR 168 CO 0.11 -2.95 2.09 0.98 -1.34 0.00 0.00 175.55 174.44 3gua n TYR 169 N 3.16 2.06 -0.33 4.97 9.36 0.17 -4.83 117.16 131.72 3gua n TYR 169 Ca 0.10 -0.04 0.14 0.00 3.32 0.00 0.00 57.90 61.43 3gua n TYR 169 Cb 0.40 -2.68 0.37 0.00 -0.63 0.00 0.00 39.34 36.80 3gua n TYR 169 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3gua h ALA 170 N 12.25 1.81 -0.53 2.98 0.00 -1.89 -2.52 119.26 131.36 3gua h ALA 170 Ca -0.41 0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.29 3gua h ALA 170 Cb 1.27 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.82 3gua h ALA 170 CO 0.97 -0.16 0.12 0.43 0.00 0.00 0.00 179.25 180.62 3gua n SER 171 N -4.69 2.91 -4.70 0.00 7.64 -1.26 -5.02 113.62 108.50 3gua n SER 171 Ca 0.22 -3.70 -0.32 0.00 1.01 0.00 0.00 58.87 56.08 3gua n SER 171 Cb 0.60 -0.69 0.14 0.00 -1.01 0.00 0.00 64.21 63.24 3gua n SER 171 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3gua s SER 172 N -2.16 3.49 0.54 6.43 0.15 -0.95 -4.91 113.70 116.29 3gua s SER 172 Ca 0.48 2.20 0.30 0.00 0.70 0.00 0.00 55.95 59.63 3gua s SER 172 Cb 0.43 -2.57 1.49 0.00 -1.71 0.00 0.00 66.02 63.66 3gua s SER 172 CO 0.03 -2.73 2.06 0.11 1.20 0.00 0.00 173.24 173.92 3gua h LYS 173 N -1.31 0.00 -5.47 5.44 1.79 -1.91 -3.43 116.57 111.68 3gua h LYS 173 Ca -0.44 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.48 3gua h LYS 173 Cb 1.27 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 31.62 3gua h LYS 173 CO 0.45 0.10 -0.83 0.71 -1.08 0.00 0.00 179.45 178.80 3gua s TYR 174 N -4.02 1.56 0.06 -1.35 2.02 -1.26 -1.34 117.35 113.02 3gua s TYR 174 Ca -0.02 -0.35 0.02 0.00 -0.37 0.00 0.00 57.07 56.35 3gua s TYR 174 Cb 0.12 -1.02 -0.04 0.00 -0.40 0.00 0.00 41.96 40.62 3gua s TYR 174 CO 0.56 -0.07 0.11 -1.83 -1.57 0.00 0.00 175.55 172.74 3gua s GLU 175 N -0.23 3.02 -0.15 -0.62 -1.05 -0.29 -4.76 118.70 114.62 3gua s GLU 175 Ca 0.03 -0.61 -0.21 0.00 -0.15 0.00 0.00 54.97 54.03 3gua s GLU 175 Cb -0.08 -2.81 -0.03 0.00 -0.44 0.00 0.00 34.13 30.77 3gua s GLU 175 CO 0.00 0.59 0.64 0.42 0.95 0.00 0.00 175.26 177.86 3gua s ILE 176 N -1.38 5.04 -0.10 1.83 -1.09 -1.26 -2.28 121.20 121.95 3gua s ILE 176 Ca 0.30 1.25 -0.02 0.00 -2.23 0.00 0.00 60.65 59.94 3gua s ILE 176 Cb -0.12 -3.96 -0.25 0.00 -1.58 0.00 0.00 42.46 36.54 3gua s ILE 176 CO 0.22 0.18 0.43 0.18 -1.23 0.00 0.00 174.94 174.72 3gua n LEU 177 N 4.49 2.24 -3.50 2.97 4.77 0.19 -4.98 117.00 123.18 3gua n LEU 177 Ca -0.02 0.25 -0.14 0.00 -0.03 0.00 0.00 56.01 56.08 3gua n LEU 177 Cb 0.50 -0.83 -0.04 0.00 -2.33 0.00 0.00 43.42 40.72 3gua n LEU 177 CO 0.45 0.75 0.50 -0.94 -1.33 0.00 0.00 177.39 176.82 3gua s SER 178 N -6.82 -0.56 -0.15 -1.43 1.04 -1.05 -4.98 113.70 99.74 3gua s SER 178 Ca -0.18 0.38 -0.04 0.00 0.48 0.00 0.00 55.95 56.58 3gua s SER 178 Cb 0.07 0.51 0.07 0.00 0.10 0.00 0.00 66.02 66.77 3gua s SER 178 CO 0.78 -0.68 0.26 0.00 0.98 0.00 0.00 173.24 174.58 3gua s ALA 179 N -2.18 -0.52 0.23 5.32 0.00 -1.26 -0.43 121.76 122.92 3gua s ALA 179 Ca -0.04 0.79 0.11 0.00 0.00 0.00 0.00 51.96 52.83 3gua s ALA 179 Cb -0.00 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.96 3gua s ALA 179 CO -0.00 -0.79 -0.22 0.95 0.00 0.00 0.00 175.76 175.71 3gua s THR 180 N 2.41 2.38 -0.14 0.00 -4.23 -0.45 -1.57 115.64 114.04 3gua s THR 180 Ca 0.03 -2.21 -0.01 0.00 -1.18 0.00 0.00 61.69 58.31 3gua s THR 180 Cb -0.13 -2.20 0.04 0.00 1.34 0.00 0.00 72.50 71.55 3gua s THR 180 CO -0.10 -0.27 -0.02 0.00 -0.54 0.00 0.00 174.62 173.69 3gua s GLN 181 N -3.10 1.05 -0.04 3.99 -2.07 0.32 -0.95 119.66 118.86 3gua s GLN 181 Ca 0.25 -0.28 0.04 0.00 -1.82 0.00 0.00 55.36 53.55 3gua s GLN 181 Cb -0.06 -1.67 -0.00 0.00 -1.09 0.00 0.00 33.01 30.19 3gua s GLN 181 CO 0.12 -0.41 -0.17 0.99 -1.32 0.00 0.00 175.29 174.50 3gua s THR 182 N 1.79 1.39 0.18 3.63 2.01 -0.66 -4.28 115.64 119.69 3gua s THR 182 Ca 0.02 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 3gua s THR 182 Cb -0.14 -1.20 -0.08 0.00 0.01 0.00 0.00 72.50 71.09 3gua s THR 182 CO -0.07 0.40 0.99 -0.60 -0.69 0.00 0.00 174.62 174.65 3gua s ARG 183 N 0.07 4.73 -0.01 4.92 3.52 -1.26 0.39 118.95 131.30 3gua s ARG 183 Ca -0.04 1.55 0.04 0.00 -0.13 0.00 0.00 55.73 57.15 3gua s ARG 183 Cb -0.11 -3.31 -0.01 0.00 -1.56 0.00 0.00 34.95 29.96 3gua s ARG 183 CO 0.02 0.29 -0.14 -0.65 -0.81 0.00 0.00 175.30 174.01 3gua s GLN 184 N -0.61 1.17 -0.31 5.12 -0.21 0.86 -4.92 119.66 120.76 3gua s GLN 184 Ca 0.45 -0.49 -0.06 0.00 0.02 0.00 0.00 55.36 55.28 3gua s GLN 184 Cb -0.26 -1.11 0.02 0.00 1.00 0.00 0.00 33.01 32.66 3gua s GLN 184 CO 0.33 0.28 0.08 0.08 -2.12 0.00 0.00 175.29 173.94 3gua s VAL 185 N -0.26 3.79 -0.05 1.09 1.01 -1.26 -1.79 120.40 122.92 3gua s VAL 185 Ca 0.04 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.11 3gua s VAL 185 Cb -0.06 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 3gua s VAL 185 CO -0.00 -0.02 -0.03 -1.10 0.00 0.00 0.00 175.10 173.94 3gua s GLN 186 N 1.44 2.80 0.09 2.72 -1.52 -0.39 -4.96 119.66 119.83 3gua s GLN 186 Ca 0.00 -0.54 0.10 0.00 -1.95 0.00 0.00 55.36 52.97 3gua s GLN 186 Cb -0.18 -2.65 -0.03 0.00 -0.22 0.00 0.00 33.01 29.92 3gua s GLN 186 CO 0.02 0.66 -0.25 -1.01 -0.25 0.00 0.00 175.29 174.46 3gua s HIS 187 N -0.91 2.19 0.05 0.91 3.76 -1.26 -0.58 115.29 119.46 3gua s HIS 187 Ca 0.15 -0.40 0.09 0.00 -0.15 0.00 0.00 55.06 54.75 3gua s HIS 187 Cb -0.11 -1.25 -0.03 0.00 1.11 0.00 0.00 32.58 32.30 3gua s HIS 187 CO 0.04 0.22 -0.24 0.71 -0.85 0.00 0.00 174.74 174.62 3gua s TYR 188 N -0.95 2.10 -1.00 1.40 1.51 -1.26 -5.04 117.35 114.11 3gua s TYR 188 Ca 0.12 -0.40 0.14 0.00 -1.01 0.00 0.00 57.07 55.92 3gua s TYR 188 Cb -0.10 -1.24 0.62 0.00 -0.11 0.00 0.00 41.96 41.13 3gua s TYR 188 CO 0.04 0.13 1.46 -1.13 -1.11 0.00 0.00 175.55 174.94 3gua n SER 189 N 1.71 0.00 0.00 2.29 3.41 -1.26 -1.81 113.62 117.97 3gua n SER 189 Ca -0.17 0.50 0.13 0.00 -0.26 0.00 0.00 58.87 59.07 3gua n SER 189 Cb 0.53 -0.50 0.46 0.00 -0.26 0.00 0.00 64.21 64.44 3gua n SER 189 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gua h PRO 192 N 7.41 0.85 -6.91 0.00 0.13 -1.92 -3.38 132.00 128.17 3gua h PRO 192 Ca -0.31 -0.48 -0.55 0.00 -0.87 0.00 0.00 66.00 63.78 3gua h PRO 192 Cb 1.16 0.03 0.12 0.00 0.13 0.00 0.00 31.00 32.45 3gua h PRO 192 CO 0.24 1.12 0.59 0.39 -0.23 0.00 0.00 178.00 180.12 3gua n GLU 193 N -4.10 2.07 -2.20 0.86 4.71 -1.26 -4.96 120.64 115.76 3gua n GLU 193 Ca -0.04 0.74 -0.38 0.00 -0.01 0.00 0.00 57.16 57.48 3gua n GLU 193 Cb 0.56 -2.51 -0.01 0.00 -1.01 0.00 0.00 31.44 28.47 3gua n GLU 193 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 3gua s PRO 194 N -2.35 3.83 0.13 3.49 0.04 -1.26 -4.64 135.00 134.24 3gua s PRO 194 Ca 0.61 1.88 0.08 0.00 0.04 0.00 0.00 61.00 63.61 3gua s PRO 194 Cb -0.48 -2.52 -0.04 0.00 0.04 0.00 0.00 34.50 31.50 3gua s PRO 194 CO 0.57 -0.52 -0.09 0.71 0.04 0.00 0.00 177.00 177.71 3gua s TYR 195 N -1.45 2.72 -0.01 0.56 2.02 0.26 0.93 117.35 122.37 3gua s TYR 195 Ca 0.61 -0.17 0.07 0.00 -0.37 0.00 0.00 57.07 57.21 3gua s TYR 195 Cb -0.31 -1.39 -0.02 0.00 -0.40 0.00 0.00 41.96 39.84 3gua s TYR 195 CO 0.39 0.46 -0.21 0.42 -1.57 0.00 0.00 175.55 175.03 3gua s ILE 196 N -1.40 1.69 0.09 2.71 1.01 -1.26 -1.26 121.20 122.78 3gua s ILE 196 Ca 0.23 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.91 3gua s ILE 196 Cb -0.10 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 3gua s ILE 196 CO 0.15 0.46 0.06 1.51 0.00 0.00 0.00 174.94 177.12 3gua s ASP 197 N -0.55 0.33 -0.20 3.58 -4.77 -0.74 -4.35 116.67 109.97 3gua s ASP 197 Ca 0.08 -0.97 -0.05 0.00 -3.30 0.00 0.00 52.55 48.31 3gua s ASP 197 Cb -0.08 0.27 -0.02 0.00 -1.09 0.00 0.00 42.92 42.00 3gua s ASP 197 CO -0.01 -0.69 -0.00 -0.69 0.70 0.00 0.00 175.17 174.48 3gua s VAL 198 N -3.95 3.92 -0.45 2.11 1.01 0.16 -0.10 120.40 123.11 3gua s VAL 198 Ca 0.12 -0.33 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 3gua s VAL 198 Cb 0.07 -2.77 0.04 0.00 0.00 0.00 0.00 36.38 33.72 3gua s VAL 198 CO -0.06 0.43 0.46 0.21 0.00 0.00 0.00 175.10 176.14 3gua s ASN 199 N 0.99 6.19 -0.30 3.32 2.47 0.16 -0.14 114.94 127.62 3gua s ASN 199 Ca 0.01 -0.85 -0.22 0.00 0.42 0.00 0.00 52.86 52.22 3gua s ASN 199 Cb -0.14 -2.23 -0.00 0.00 -1.45 0.00 0.00 41.25 37.43 3gua s ASN 199 CO 0.02 -0.65 0.72 -0.22 -3.72 0.00 0.00 177.10 173.25 3gua s LEU 200 N 2.12 4.11 -0.18 3.21 2.96 0.09 -1.66 118.68 129.34 3gua s LEU 200 Ca 0.11 0.57 0.01 0.00 -0.22 0.00 0.00 54.13 54.60 3gua s LEU 200 Cb -0.19 -2.97 0.03 0.00 0.50 0.00 0.00 46.19 43.56 3gua s LEU 200 CO 0.12 -0.56 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.73 3gua s VAL 201 N 2.81 1.90 -0.13 1.68 1.01 -0.13 -1.15 120.40 126.40 3gua s VAL 201 Ca 0.29 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.37 3gua s VAL 201 Cb -0.14 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 3gua s VAL 201 CO 0.12 0.44 -0.17 -0.69 0.00 0.00 0.00 175.10 174.80 3gua s VAL 202 N 1.34 2.65 -0.24 2.92 1.01 0.67 -1.34 120.40 127.41 3gua s VAL 202 Ca 0.03 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 3gua s VAL 202 Cb -0.14 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 3gua s VAL 202 CO -0.11 0.53 0.07 -0.54 0.00 0.00 0.00 175.10 175.05 3gua s LYS 203 N 0.45 3.68 0.13 2.72 1.02 0.42 -0.57 119.74 127.59 3gua s LYS 203 Ca -0.12 -0.47 -0.00 0.00 0.02 0.00 0.00 55.97 55.40 3gua s LYS 203 Cb -0.16 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 3gua s LYS 203 CO 0.05 -0.15 0.03 -0.59 -0.92 0.00 0.00 175.35 173.78 3gua s PHE 204 N 1.50 0.90 0.20 3.18 -0.12 -0.15 0.54 117.98 124.03 3gua s PHE 204 Ca 0.06 -1.17 -0.14 0.00 -0.05 0.00 0.00 56.93 55.63 3gua s PHE 204 Cb -0.15 -0.52 0.01 0.00 -0.63 0.00 0.00 43.02 41.73 3gua s PHE 204 CO 0.04 -0.44 0.44 -0.98 -0.05 0.00 0.00 175.22 174.22 3gua s ARG 205 N -4.01 1.35 0.45 1.99 1.70 -0.97 -0.21 118.95 119.25 3gua s ARG 205 Ca 0.22 -1.05 -0.24 0.00 -0.47 0.00 0.00 55.73 54.19 3gua s ARG 205 Cb 0.07 0.46 -0.08 0.00 -0.57 0.00 0.00 34.95 34.84 3gua s ARG 205 CO 0.01 -0.55 1.24 -1.21 -1.08 0.00 0.00 175.30 173.71 3gua s GLU 206 N -3.94 3.78 0.18 3.89 2.02 0.37 -1.14 118.70 123.86 3gua s GLU 206 Ca 0.15 1.97 -0.33 0.00 0.02 0.00 0.00 54.97 56.78 3gua s GLU 206 Cb 0.00 -2.54 -0.14 0.00 0.10 0.00 0.00 34.13 31.56 3gua s GLU 206 CO 0.01 -0.59 1.48 -2.13 0.02 0.00 0.00 175.26 174.05 3gua n ARG 207 N -0.28 1.97 0.00 1.61 0.63 -0.45 -4.71 116.66 115.42 3gua n ARG 207 Ca 0.06 0.71 0.00 0.00 -0.92 0.00 0.00 57.85 57.70 3gua n ARG 207 Cb 0.46 -2.42 0.00 0.00 0.45 0.00 0.00 32.46 30.95 3gua n ARG 207 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66