#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 1.00 -0.19 2.11 0.99 -2.05 -2.17 116.97 116.66 3gua h TYR -7 Ca 0.00 -0.16 -0.02 0.00 2.00 0.00 0.00 58.73 60.55 3gua h TYR -7 Cb 0.00 -0.26 -0.01 0.00 1.00 0.00 0.00 36.73 37.46 3gua h TYR -7 CO 0.00 0.91 0.05 -0.22 -0.00 0.00 0.00 178.16 178.90 3gua h LYS -6 N 0.85 0.31 -0.00 4.88 3.64 -2.04 0.11 116.57 124.30 3gua h LYS -6 Ca 0.15 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3gua h LYS -6 Cb 0.53 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3gua h LYS -6 CO 0.03 0.43 -0.02 -0.40 -2.27 0.00 0.00 179.45 177.22 3gua n ASP -5 N -4.78 0.16 0.13 4.20 3.85 -1.23 0.01 116.55 118.89 3gua n ASP -5 Ca -0.04 -0.66 -0.25 0.00 -0.71 0.00 0.00 54.79 53.13 3gua n ASP -5 Cb 0.16 -0.11 -0.16 0.00 -1.35 0.00 0.00 41.12 39.67 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 0.22 0.81 0.52 -1.12 3.32 -0.99 -3.05 116.42 116.14 3gua h ASP -4 Ca 0.00 -0.92 -0.12 0.00 0.02 0.00 0.00 57.03 56.00 3gua h ASP -4 Cb 0.18 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3gua h ASP -4 CO 0.00 1.73 -0.57 -0.78 -1.72 0.00 0.00 179.24 177.90 3gua h ASP -3 N 0.14 0.06 0.04 6.45 3.58 -0.54 -2.31 116.42 123.84 3gua h ASP -3 Ca -0.28 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.14 3gua h ASP -3 Cb 2.16 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 43.20 3gua h ASP -3 CO 0.26 0.62 -0.02 0.44 -2.88 0.00 0.00 179.24 177.66 3gua h ASP -2 N 0.04 -0.05 -0.84 2.28 3.32 -0.53 0.21 116.42 120.84 3gua h ASP -2 Ca -0.00 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 3gua h ASP -2 Cb 1.03 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.55 3gua h ASP -2 CO 0.08 0.10 0.40 0.11 -1.72 0.00 0.00 179.24 178.20 3gua h LYS -1 N -0.19 1.22 -0.69 3.56 1.57 -1.48 -1.61 116.57 118.94 3gua h LYS -1 Ca -0.01 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3gua h LYS -1 Cb 0.17 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3gua h LYS -1 CO 0.01 0.94 0.43 -0.07 -0.57 0.00 0.00 179.45 180.19 3gua h LEU 0 N 1.20 0.82 -0.06 2.94 3.38 -1.36 -1.27 115.31 120.97 3gua h LEU 0 Ca 0.29 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.22 3gua h LEU 0 Cb 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3gua h LEU 0 CO -0.04 0.62 -0.00 -0.74 0.09 0.00 0.00 178.44 178.38 3gua h HIS 1 N 0.94 -0.01 -0.23 1.13 2.76 -0.35 -0.59 115.15 118.81 3gua h HIS 1 Ca 0.25 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.41 3gua h HIS 1 Cb -0.06 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 3gua h HIS 1 CO -0.02 -0.01 0.05 0.66 -1.30 0.00 0.00 177.93 177.32 3gua h SER 2 N 0.02 0.29 -0.17 3.26 4.64 -1.11 -1.13 113.55 119.35 3gua h SER 2 Ca 0.03 -0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3gua h SER 2 Cb 0.03 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3gua h SER 2 CO -0.05 0.31 -0.16 1.56 -0.87 0.00 0.00 176.83 177.61 3gua h GLN 3 N 0.33 0.41 -0.93 4.77 4.20 -0.91 -2.87 115.11 120.10 3gua h GLN 3 Ca 0.08 -0.21 0.01 0.00 0.06 0.00 0.00 58.65 58.58 3gua h GLN 3 Cb 0.13 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.88 3gua h GLN 3 CO -0.00 0.78 0.61 0.00 -0.67 0.00 0.00 178.83 179.54 3gua h ALA 4 N 0.63 1.18 -0.48 3.87 0.00 -0.56 -1.03 119.26 122.86 3gua h ALA 4 Ca 0.03 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3gua h ALA 4 Cb 0.70 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3gua h ALA 4 CO 0.04 0.59 0.31 -0.91 0.00 0.00 0.00 179.25 179.28 3gua h ASN 5 N 1.27 0.52 -0.47 0.00 2.35 -1.22 0.30 115.58 118.33 3gua h ASN 5 Ca 0.34 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 56.06 3gua h ASN 5 Cb -0.13 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 3gua h ASN 5 CO -0.07 0.37 0.19 0.25 -1.65 0.00 0.00 177.43 176.52 3gua h LEU 6 N 0.62 0.64 -0.38 1.61 5.85 -1.24 -0.91 115.31 121.50 3gua h LEU 6 Ca 0.18 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.81 3gua h LEU 6 Cb -0.04 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.76 3gua h LEU 6 CO -0.06 0.63 -0.04 0.24 -0.34 0.00 0.00 178.44 178.87 3gua h MET 7 N 0.61 0.05 -0.23 1.25 2.86 -0.90 -0.24 114.93 118.33 3gua h MET 7 Ca 0.16 -0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 3gua h MET 7 Cb 0.19 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 3gua h MET 7 CO -0.01 0.03 0.09 -0.09 1.06 0.00 0.00 176.91 177.99 3gua h ARG 8 N 0.05 0.19 0.25 1.72 2.43 -0.70 0.15 114.38 118.47 3gua h ARG 8 Ca 0.18 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3gua h ARG 8 Cb 0.27 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3gua h ARG 8 CO -0.35 0.13 -0.19 1.25 -1.51 0.00 0.00 179.97 179.30 3gua h LEU 9 N 0.20 -0.48 -0.38 3.80 5.85 -0.67 0.85 115.31 124.47 3gua h LEU 9 Ca 0.10 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3gua h LEU 9 Cb 0.06 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3gua h LEU 9 CO -0.10 -0.29 0.24 0.11 -0.34 0.00 0.00 178.44 178.07 3gua h LYS 10 N -0.44 0.51 -0.90 1.25 1.57 -0.96 0.19 116.57 117.78 3gua h LYS 10 Ca -0.02 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3gua h LYS 10 Cb 0.39 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 3gua h LYS 10 CO -0.00 0.35 0.53 1.03 -0.57 0.00 0.00 179.45 180.79 3gua h SER 11 N 0.51 1.09 -0.33 0.86 0.87 -0.77 0.22 113.55 116.00 3gua h SER 11 Ca 0.14 -0.08 -0.12 0.00 -1.23 0.00 0.00 61.79 60.50 3gua h SER 11 Cb -0.04 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.64 3gua h SER 11 CO -0.03 0.85 -0.27 0.44 -0.53 0.00 0.00 176.83 177.30 3gua h ASP 12 N 1.25 0.81 -0.32 6.23 3.32 -0.41 -1.76 116.42 125.54 3gua h ASP 12 Ca 0.32 -0.45 -0.10 0.00 0.02 0.00 0.00 57.03 56.82 3gua h ASP 12 Cb -0.03 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3gua h ASP 12 CO -0.06 1.09 -0.15 -0.07 -1.72 0.00 0.00 179.24 178.33 3gua h LEU 13 N 0.54 0.76 0.08 1.55 3.38 -0.25 -2.71 115.31 118.65 3gua h LEU 13 Ca 0.06 -0.24 -0.18 0.00 0.09 0.00 0.00 57.88 57.61 3gua h LEU 13 Cb 0.83 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 41.39 3gua h LEU 13 CO 0.07 0.92 -0.75 0.15 0.09 0.00 0.00 178.44 178.92 3gua h PHE 14 N 0.69 0.61 0.00 1.13 -0.00 -0.96 -3.28 116.94 115.12 3gua h PHE 14 Ca 0.11 -0.39 0.00 0.00 -0.00 0.00 0.00 57.97 57.69 3gua h PHE 14 Cb 0.64 -0.05 0.00 0.00 -0.00 0.00 0.00 35.95 36.54 3gua h PHE 14 CO 0.03 1.25 0.00 0.09 -0.00 0.00 0.00 178.31 179.68 3gua n ASN 15 N -4.14 0.00 -4.75 0.41 3.02 -0.66 -4.88 115.26 104.25 3gua n ASN 15 Ca -0.12 -1.25 -0.41 0.00 -0.03 0.00 0.00 54.58 52.76 3gua n ASN 15 Cb 0.77 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.92 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 -2.00 4.27 1.02 3.52 1.70 -1.02 -4.95 118.95 121.48 3gua s ARG 16 Ca 0.26 2.31 -0.12 0.00 -0.47 0.00 0.00 55.73 57.71 3gua s ARG 16 Cb 0.12 -3.09 0.20 0.00 -0.57 0.00 0.00 34.95 31.60 3gua s ARG 16 CO 0.20 -0.40 1.08 0.45 -1.08 0.00 0.00 175.30 175.55 3gua s SER 17 N 0.22 2.37 -0.03 -2.89 0.15 -1.26 -2.55 113.70 109.71 3gua s SER 17 Ca 0.58 1.39 -0.00 0.00 0.70 0.00 0.00 55.95 58.61 3gua s SER 17 Cb -0.42 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 3gua s SER 17 CO 0.46 -3.32 0.01 -2.65 1.20 0.00 0.00 173.24 168.94 3gua n PRO 18 N -4.32 -1.39 0.00 5.44 -0.02 -1.26 -4.82 135.00 128.64 3gua n PRO 18 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3gua n PRO 18 Cb 0.56 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 33.08 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 -0.58 0.00 0.00 -0.52 0.00 -1.06 -4.19 117.12 110.77 3gua n MET 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3gua n MET 19 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.32 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 0.00 0.00 -1.00 3.17 4.19 -1.26 -4.93 117.16 117.33 3gua n TYR 20 Ca 0.00 0.00 -0.10 0.00 3.31 0.00 0.00 57.90 61.11 3gua n TYR 20 Cb 0.00 0.00 0.27 0.00 0.49 0.00 0.00 39.34 40.10 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 3.31 0.00 2.98 -0.04 -1.26 -4.99 135.00 135.00 3gua n PRO 21 Ca 0.00 -2.95 0.00 0.00 -0.04 0.00 0.00 63.50 60.51 3gua n PRO 21 Cb 0.00 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 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 -0.36 -0.97 3.75 0.55 0.00 -1.26 -4.97 105.19 101.93 3gua n GLY 22 Ca 0.44 -1.60 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 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 -3.00 2.95 0.31 1.61 0.04 -1.26 -5.04 135.00 130.61 3gua s PRO 23 Ca 0.00 2.00 0.04 0.00 0.04 0.00 0.00 61.00 63.08 3gua s PRO 23 Cb 0.00 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 3gua s PRO 23 CO 0.00 -1.27 0.18 0.95 0.04 0.00 0.00 177.00 176.90 3gua s THR 24 N -1.45 0.27 0.19 1.26 -4.23 -1.12 -4.97 115.64 105.59 3gua s THR 24 Ca 0.76 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.16 3gua s THR 24 Cb -0.35 -2.49 0.10 0.00 1.34 0.00 0.00 72.50 71.10 3gua s THR 24 CO 0.39 0.00 1.78 0.11 -0.54 0.00 0.00 174.62 176.37 3gua h LYS 25 N 2.19 0.51 0.00 3.99 1.57 -1.92 -1.84 116.57 121.06 3gua h LYS 25 Ca -0.32 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 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 0.49 0.34 0.00 -0.25 -0.57 0.00 0.00 179.45 179.46 3gua n ASP 26 N -4.88 0.00 -3.03 0.86 8.00 -1.26 -4.04 116.55 112.20 3gua n ASP 26 Ca 0.06 0.41 -0.15 0.00 0.71 0.00 0.00 54.79 55.82 3gua n ASP 26 Cb 0.16 -0.47 -0.00 0.00 -0.02 0.00 0.00 41.12 40.79 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 -1.47 0.54 -4.37 -2.24 2.03 -0.86 -5.13 116.55 105.05 3gua n ASP 27 Ca 0.07 -3.01 -0.29 0.00 0.52 0.00 0.00 54.79 52.07 3gua n ASP 27 Cb 0.26 -0.29 0.19 0.00 -0.72 0.00 0.00 41.12 40.56 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 -2.21 0.10 -0.00 -0.67 0.04 -0.75 -2.80 135.00 128.70 3gua s PRO 28 Ca 0.35 0.15 -0.06 0.00 0.04 0.00 0.00 61.00 61.48 3gua s PRO 28 Cb 0.37 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 33.18 3gua s PRO 28 CO -0.05 -2.88 0.11 -1.17 0.04 0.00 0.00 177.00 173.06 3gua s LEU 29 N -6.43 1.63 -0.18 -3.56 2.96 0.09 -4.91 118.68 108.27 3gua s LEU 29 Ca 0.68 -0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 54.42 3gua s LEU 29 Cb -0.13 0.56 0.00 0.00 0.50 0.00 0.00 46.19 47.13 3gua s LEU 29 CO 0.55 -0.30 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.25 3gua s THR 30 N -1.14 2.66 -0.20 3.68 2.01 -1.26 -0.57 115.64 120.82 3gua s THR 30 Ca -0.12 -0.75 -0.08 0.00 0.31 0.00 0.00 61.69 61.04 3gua s THR 30 Cb -0.07 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 3gua s THR 30 CO 0.01 0.50 0.09 -0.69 -0.69 0.00 0.00 174.62 173.84 3gua s VAL 31 N 1.16 4.97 -0.20 3.82 1.01 0.62 -4.40 120.40 127.37 3gua s VAL 31 Ca 0.01 0.03 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 3gua s VAL 31 Cb -0.14 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 3gua s VAL 31 CO -0.05 0.42 0.30 -0.89 0.00 0.00 0.00 175.10 174.88 3gua s THR 32 N 0.62 5.28 -0.05 3.92 2.01 0.29 -1.35 115.64 126.35 3gua s THR 32 Ca 0.05 0.50 0.01 0.00 0.31 0.00 0.00 61.69 62.55 3gua s THR 32 Cb -0.13 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 3gua s THR 32 CO 0.01 0.31 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.46 3gua s LEU 33 N 1.03 3.34 0.01 4.42 1.43 0.29 -1.84 118.68 127.36 3gua s LEU 33 Ca 0.15 0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 53.19 3gua s LEU 33 Cb -0.14 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 3gua s LEU 33 CO 0.06 0.34 0.11 -0.83 0.23 0.00 0.00 176.35 176.26 3gua s GLY 34 N -1.04 0.08 -0.11 -3.19 0.00 -0.86 -4.22 107.32 97.97 3gua s GLY 34 Ca 0.14 -0.22 0.03 0.00 0.00 0.00 0.00 44.72 44.68 3gua s GLY 34 CO 0.04 -0.35 -0.23 -1.36 0.00 0.00 0.00 173.10 171.20 3gua s PHE 35 N -1.48 2.57 -0.38 1.90 0.08 -1.26 -1.08 117.98 118.33 3gua s PHE 35 Ca -0.14 -1.14 -0.12 0.00 0.12 0.00 0.00 56.93 55.65 3gua s PHE 35 Cb -0.08 -1.73 0.02 0.00 -0.57 0.00 0.00 43.02 40.67 3gua s PHE 35 CO 0.01 -0.48 0.23 0.99 -0.10 0.00 0.00 175.22 175.87 3gua s THR 36 N 0.51 4.82 -0.23 0.64 2.01 -0.45 -0.86 115.64 122.08 3gua s THR 36 Ca -0.15 -0.75 -0.20 0.00 0.31 0.00 0.00 61.69 60.90 3gua s THR 36 Cb -0.17 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 3gua s THR 36 CO 0.05 -0.23 0.61 -0.22 -0.69 0.00 0.00 174.62 174.14 3gua s LEU 37 N 1.60 4.10 -0.25 4.42 2.96 -0.90 -0.23 118.68 130.38 3gua s LEU 37 Ca 0.03 0.74 -0.16 0.00 -0.22 0.00 0.00 54.13 54.52 3gua s LEU 37 Cb -0.19 -2.84 -0.16 0.00 0.50 0.00 0.00 46.19 43.50 3gua s LEU 37 CO 0.08 -0.31 -0.10 0.00 -1.32 0.00 0.00 176.35 174.70 3gua n GLN 38 N 5.39 0.59 -3.69 1.98 6.02 0.23 -3.31 117.38 124.58 3gua n GLN 38 Ca -0.01 0.39 -0.14 0.00 -0.01 0.00 0.00 57.00 57.23 3gua n GLN 38 Cb 0.49 -1.60 -0.09 0.00 1.02 0.00 0.00 30.24 30.06 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 -7.19 -0.55 -0.46 1.08 2.15 -0.95 0.42 116.67 111.17 3gua s ASP 39 Ca -0.34 1.03 -0.19 0.00 0.43 0.00 0.00 52.55 53.49 3gua s ASP 39 Cb 0.11 1.05 0.04 0.00 -0.30 0.00 0.00 42.92 43.82 3gua s ASP 39 CO 0.54 -0.21 0.56 -0.63 -0.17 0.00 0.00 175.17 175.26 3gua s ILE 40 N 0.18 4.95 -0.06 4.11 1.01 -1.26 -1.18 121.20 128.96 3gua s ILE 40 Ca -0.01 -0.34 -0.20 0.00 0.00 0.00 0.00 60.65 60.10 3gua s ILE 40 Cb -0.04 -4.18 -0.31 0.00 0.01 0.00 0.00 42.46 37.94 3gua s ILE 40 CO 0.01 -0.62 0.83 0.58 0.00 0.00 0.00 174.94 175.73 3gua h VAL 41 N 5.82 1.40 -3.04 2.92 2.07 -1.38 -3.41 116.25 120.63 3gua h VAL 41 Ca -0.27 -2.52 -0.17 0.00 0.82 0.00 0.00 66.70 64.57 3gua h VAL 41 Cb 1.10 3.09 -0.27 0.00 -1.52 0.00 0.00 31.29 33.69 3gua h VAL 41 CO 0.89 0.72 -0.43 -0.75 0.02 0.00 0.00 177.57 178.01 3gua s LYS 42 N -2.45 0.27 -0.34 1.57 2.20 -1.23 -4.90 119.74 114.86 3gua s LYS 42 Ca -0.15 0.45 0.02 0.00 -0.36 0.00 0.00 55.97 55.94 3gua s LYS 42 Cb 0.02 0.04 0.10 0.00 -1.51 0.00 0.00 37.83 36.48 3gua s LYS 42 CO 0.82 -0.09 0.08 0.00 -0.36 0.00 0.00 175.35 175.80 3gua s ALA 43 N 0.64 2.42 -0.53 3.13 0.00 -1.26 -0.75 121.76 125.41 3gua s ALA 43 Ca -0.04 -2.26 -0.24 0.00 0.00 0.00 0.00 51.96 49.41 3gua s ALA 43 Cb -0.05 -1.85 0.04 0.00 0.00 0.00 0.00 23.12 21.25 3gua s ALA 43 CO -0.04 -1.70 0.93 0.34 0.00 0.00 0.00 175.76 175.30 3gua s ASP 44 N 1.10 6.37 0.05 0.00 -1.08 0.16 -4.89 116.67 118.39 3gua s ASP 44 Ca 0.11 -0.25 0.27 0.00 -0.52 0.00 0.00 52.55 52.16 3gua s ASP 44 Cb -0.19 -2.44 0.90 0.00 -1.46 0.00 0.00 42.92 39.73 3gua s ASP 44 CO -0.14 -1.18 1.72 -1.54 0.52 0.00 0.00 175.17 174.55 3gua n SER 45 N 7.38 0.34 -0.02 -0.34 3.41 -1.26 -1.00 113.62 122.14 3gua n SER 45 Ca 0.03 0.31 0.12 0.00 -0.26 0.00 0.00 58.87 59.07 3gua n SER 45 Cb 0.48 -0.32 0.33 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.71 0.44 0.00 4.04 3.41 -1.26 -4.11 113.62 114.43 3gua n SER 46 Ca 0.06 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 3gua n SER 46 Cb 0.37 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 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 -1.44 0.00 -3.87 6.66 -2.24 -1.20 -5.04 114.28 107.15 3gua n THR 47 Ca 0.06 -0.24 -0.29 0.00 -2.27 0.00 0.00 64.05 61.32 3gua n THR 47 Cb 0.33 1.49 0.00 0.00 -2.10 0.00 0.00 70.33 70.05 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 -0.04 -2.12 -4.28 3.42 3.02 -0.17 -4.93 115.26 110.16 3gua n ASN 48 Ca 0.00 -1.03 -0.31 0.00 -0.03 0.00 0.00 54.58 53.21 3gua n ASN 48 Cb 0.12 -3.08 -0.16 0.00 -0.61 0.00 0.00 39.78 36.04 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 -6.42 2.45 -0.02 3.52 2.02 -0.99 -1.56 118.70 117.71 3gua s GLU 49 Ca 0.18 -0.91 0.06 0.00 0.02 0.00 0.00 54.97 54.33 3gua s GLU 49 Cb -0.07 -2.14 -0.02 0.00 0.10 0.00 0.00 34.13 32.00 3gua s GLU 49 CO 0.88 0.43 -0.21 0.08 0.02 0.00 0.00 175.26 176.46 3gua s VAL 50 N -0.28 1.65 -0.27 2.63 1.01 -0.41 -0.66 120.40 124.06 3gua s VAL 50 Ca -0.00 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 3gua s VAL 50 Cb -0.13 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.88 3gua s VAL 50 CO 0.02 0.47 0.05 -1.81 0.00 0.00 0.00 175.10 173.83 3gua s ASP 51 N -0.49 4.95 0.06 3.32 1.11 0.08 -1.62 116.67 124.08 3gua s ASP 51 Ca 0.08 -0.53 0.05 0.00 0.18 0.00 0.00 52.55 52.34 3gua s ASP 51 Cb -0.08 -1.86 -0.04 0.00 1.07 0.00 0.00 42.92 42.01 3gua s ASP 51 CO -0.01 -0.12 -0.08 -0.76 1.18 0.00 0.00 175.17 175.38 3gua s LEU 52 N 1.52 3.10 -0.16 1.23 1.43 -0.28 -0.88 118.68 124.64 3gua s LEU 52 Ca 0.04 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 3gua s LEU 52 Cb -0.16 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.23 3gua s LEU 52 CO 0.01 0.22 -0.19 -0.69 0.23 0.00 0.00 176.35 175.94 3gua s VAL 53 N -1.12 2.30 0.13 -1.59 1.01 -0.32 -0.77 120.40 120.05 3gua s VAL 53 Ca 0.20 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 3gua s VAL 53 Cb -0.11 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 3gua s VAL 53 CO 0.11 0.53 0.19 -0.72 0.00 0.00 0.00 175.10 175.21 3gua s TYR 54 N 0.97 0.46 -0.23 5.22 -0.85 -0.73 -0.60 117.35 121.59 3gua s TYR 54 Ca -0.03 -0.86 -0.10 0.00 -0.52 0.00 0.00 57.07 55.56 3gua s TYR 54 Cb -0.15 -0.18 -0.05 0.00 0.38 0.00 0.00 41.96 41.96 3gua s TYR 54 CO -0.04 -0.61 0.15 0.71 -1.52 0.00 0.00 175.55 174.23 3gua s TYR 55 N -3.96 3.33 -0.37 -3.49 4.12 0.67 -1.14 117.35 116.52 3gua s TYR 55 Ca 0.15 0.24 -0.10 0.00 0.02 0.00 0.00 57.07 57.38 3gua s TYR 55 Cb 0.05 -2.24 0.03 0.00 -1.52 0.00 0.00 41.96 38.28 3gua s TYR 55 CO -0.03 0.11 0.19 -2.00 0.02 0.00 0.00 175.55 173.85 3gua s GLU 56 N 0.88 2.82 -0.23 -0.62 2.12 -0.73 -1.34 118.70 121.60 3gua s GLU 56 Ca 0.07 -1.07 -0.13 0.00 0.36 0.00 0.00 54.97 54.20 3gua s GLU 56 Cb -0.13 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.54 3gua s GLU 56 CO 0.03 -0.68 0.28 -1.14 -0.54 0.00 0.00 175.26 173.21 3gua s GLN 57 N 1.53 4.09 -0.04 4.30 0.74 -0.24 -3.28 119.66 126.77 3gua s GLN 57 Ca 0.02 -0.06 0.06 0.00 0.05 0.00 0.00 55.36 55.43 3gua s GLN 57 Cb -0.19 -3.57 -0.02 0.00 1.10 0.00 0.00 33.01 30.33 3gua s GLN 57 CO 0.06 -0.04 -0.20 -0.65 -0.55 0.00 0.00 175.29 173.90 3gua s GLN 58 N 1.35 2.34 -0.02 1.67 -0.21 0.82 -2.04 119.66 123.57 3gua s GLN 58 Ca 0.13 -0.82 -0.02 0.00 0.02 0.00 0.00 55.36 54.67 3gua s GLN 58 Cb -0.14 -2.21 0.01 0.00 1.00 0.00 0.00 33.01 31.67 3gua s GLN 58 CO 0.07 0.57 0.06 0.50 -2.12 0.00 0.00 175.29 174.37 3gua s ARG 59 N -0.61 0.05 0.25 2.91 3.52 -0.76 -1.72 118.95 122.58 3gua s ARG 59 Ca 0.09 0.12 -0.18 0.00 -0.13 0.00 0.00 55.73 55.63 3gua s ARG 59 Cb -0.11 -0.03 0.01 0.00 -1.56 0.00 0.00 34.95 33.26 3gua s ARG 59 CO 0.00 -0.05 0.60 1.67 -0.81 0.00 0.00 175.30 176.72 3gua s TRP 60 N 0.29 0.01 -0.06 5.12 -2.14 -1.08 -0.55 118.94 120.54 3gua s TRP 60 Ca -0.02 -0.41 0.00 0.00 2.66 0.00 0.00 56.10 58.33 3gua s TRP 60 Cb -0.03 0.47 0.02 0.00 -3.10 0.00 0.00 33.47 30.83 3gua s TRP 60 CO -0.01 -1.09 -0.03 0.21 -2.66 0.00 0.00 176.95 173.37 3gua s LYS 61 N -3.94 0.79 -0.09 3.25 2.20 -1.26 -0.12 119.74 120.56 3gua s LYS 61 Ca 0.15 -0.04 0.04 0.00 -0.36 0.00 0.00 55.97 55.75 3gua s LYS 61 Cb -0.03 -0.92 -0.01 0.00 -1.51 0.00 0.00 37.83 35.36 3gua s LYS 61 CO 0.06 -0.16 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.17 3gua s LEU 62 N 1.30 2.30 0.35 5.43 1.43 0.29 -4.92 118.68 124.86 3gua s LEU 62 Ca -0.05 -0.45 0.06 0.00 -1.03 0.00 0.00 54.13 52.66 3gua s LEU 62 Cb -0.14 -1.46 0.73 0.00 0.03 0.00 0.00 46.19 45.35 3gua s LEU 62 CO -0.02 0.20 1.91 0.78 0.23 0.00 0.00 176.35 179.45 3gua h ASN 63 N 6.39 0.71 0.07 2.29 2.35 -1.88 -2.00 115.58 123.50 3gua h ASN 63 Ca -0.27 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 3gua h ASN 63 Cb 1.21 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.45 3gua h ASN 63 CO 0.49 0.42 0.00 -1.54 -1.65 0.00 0.00 177.43 175.15 3gua n SER 64 N -4.52 0.00 -0.41 5.81 3.41 -1.26 -1.80 113.62 114.85 3gua n SER 64 Ca 0.14 -0.40 0.04 0.00 -0.26 0.00 0.00 58.87 58.39 3gua n SER 64 Cb 0.33 -0.07 0.08 0.00 -0.26 0.00 0.00 64.21 64.29 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 -1.07 2.22 -4.77 1.04 4.77 -0.75 -4.98 117.00 113.46 3gua n LEU 65 Ca 0.12 -1.52 -0.37 0.00 -0.03 0.00 0.00 56.01 54.21 3gua n LEU 65 Cb 0.08 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 3gua n LEU 65 CO 0.10 0.51 0.82 -0.04 -1.33 0.00 0.00 177.39 177.46 3gua s MET 66 N -0.86 3.83 0.16 3.23 -1.94 -0.75 -3.89 119.30 119.09 3gua s MET 66 Ca 0.14 1.76 -0.16 0.00 -1.71 0.00 0.00 55.69 55.72 3gua s MET 66 Cb 0.08 -2.46 0.03 0.00 2.01 0.00 0.00 34.83 34.49 3gua s MET 66 CO 0.11 -0.49 0.44 1.67 -0.01 0.00 0.00 175.02 176.75 3gua s TRP 67 N -1.54 -0.11 -0.39 -0.03 -2.14 -0.24 -4.93 118.94 109.56 3gua s TRP 67 Ca 0.62 -0.22 -0.17 0.00 2.66 0.00 0.00 56.10 59.00 3gua s TRP 67 Cb -0.28 0.29 0.01 0.00 -3.10 0.00 0.00 33.47 30.38 3gua s TRP 67 CO 0.35 -0.80 0.42 0.34 -2.66 0.00 0.00 176.95 174.60 3gua s ASP 68 N -2.85 6.20 0.56 -2.66 2.15 -1.26 -4.66 116.67 114.15 3gua s ASP 68 Ca 0.07 -0.45 0.30 0.00 0.43 0.00 0.00 52.55 52.89 3gua s ASP 68 Cb 0.01 -2.22 1.46 0.00 -0.30 0.00 0.00 42.92 41.87 3gua s ASP 68 CO -0.07 -0.49 1.89 -0.65 -0.17 0.00 0.00 175.17 175.69 3gua h PRO 69 N 8.61 0.00 0.00 4.34 0.11 -1.93 0.15 132.00 143.28 3gua h PRO 69 Ca -0.28 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 3gua h PRO 69 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3gua h PRO 69 CO 0.76 0.00 -0.20 -0.91 -0.21 0.00 0.00 178.00 177.44 3gua h ASN 70 N 0.00 0.00 0.85 -2.05 2.35 -1.92 0.22 115.58 115.04 3gua h ASN 70 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 3gua h ASN 70 Cb 1.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.78 3gua h ASN 70 CO -0.00 0.20 -0.33 -0.62 -1.65 0.00 0.00 177.43 175.03 3gua n GLU 71 N -4.28 0.10 -2.54 0.81 1.02 0.51 -4.27 120.64 111.99 3gua n GLU 71 Ca -0.02 0.05 -0.21 0.00 -0.02 0.00 0.00 57.16 56.96 3gua n GLU 71 Cb 0.26 -1.58 0.01 0.00 -0.02 0.00 0.00 31.44 30.11 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 -1.74 2.62 -3.90 -0.32 4.01 -0.66 -4.96 117.16 112.21 3gua n TYR 72 Ca 0.05 -2.99 -0.28 0.00 -0.16 0.00 0.00 57.90 54.53 3gua n TYR 72 Cb 0.37 -0.19 0.01 0.00 -0.31 0.00 0.00 39.34 39.23 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 -0.34 -0.40 2.67 2.72 0.00 -1.18 -1.94 105.19 106.72 3gua n GLY 73 Ca 0.29 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.89 -5.33 -4.71 1.61 4.13 0.70 -4.95 115.26 103.81 3gua n ASN 74 Ca -0.09 0.30 -0.42 0.00 1.68 0.00 0.00 54.58 56.05 3gua n ASN 74 Cb 0.58 -4.11 -0.03 0.00 -1.54 0.00 0.00 39.78 34.69 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 -2.01 3.13 -0.13 2.41 1.01 -0.82 -4.91 121.20 119.88 3gua s ILE 75 Ca 0.00 0.80 0.08 0.00 0.00 0.00 0.00 60.65 61.53 3gua s ILE 75 Cb 0.00 -3.51 -0.11 0.00 0.01 0.00 0.00 42.46 38.85 3gua s ILE 75 CO 0.00 0.06 0.23 0.35 0.00 0.00 0.00 174.94 175.58 3gua n THR 76 N 3.99 0.00 -3.55 2.92 -2.24 -1.26 -4.37 114.28 109.77 3gua n THR 76 Ca 0.12 -0.23 -0.13 0.00 -2.27 0.00 0.00 64.05 61.54 3gua n THR 76 Cb 0.41 0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 69.12 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 -2.55 -0.47 0.04 3.42 -4.77 -1.26 -1.16 116.67 109.92 3gua s ASP 77 Ca -0.01 0.49 -0.02 0.00 -3.30 0.00 0.00 52.55 49.71 3gua s ASP 77 Cb 0.05 0.39 -0.03 0.00 -1.09 0.00 0.00 42.92 42.25 3gua s ASP 77 CO 0.33 -0.45 0.01 0.72 0.70 0.00 0.00 175.17 176.48 3gua s PHE 78 N -1.24 0.37 -0.08 2.11 -0.12 -0.08 -4.98 117.98 113.95 3gua s PHE 78 Ca -0.05 -0.80 -0.12 0.00 -0.05 0.00 0.00 56.93 55.91 3gua s PHE 78 Cb -0.00 -0.27 -0.05 0.00 -0.63 0.00 0.00 43.02 42.07 3gua s PHE 78 CO 0.04 -0.34 0.31 1.03 -0.05 0.00 0.00 175.22 176.20 3gua s ARG 79 N -3.07 3.89 0.04 1.99 3.00 -1.26 -0.84 118.95 122.71 3gua s ARG 79 Ca -0.01 0.18 -0.06 0.00 0.00 0.00 0.00 55.73 55.84 3gua s ARG 79 Cb 0.02 -3.27 -0.01 0.00 0.00 0.00 0.00 34.95 31.68 3gua s ARG 79 CO -0.07 0.58 0.11 -0.08 0.00 0.00 0.00 175.30 175.83 3gua s THR 80 N -0.59 0.13 0.36 0.02 -1.32 -0.67 -4.99 115.64 108.58 3gua s THR 80 Ca 0.19 -1.10 -0.28 0.00 -1.21 0.00 0.00 61.69 59.29 3gua s THR 80 Cb -0.14 -0.94 -0.11 0.00 -1.51 0.00 0.00 72.50 69.80 3gua s THR 80 CO 0.08 -0.61 1.49 -0.55 -2.21 0.00 0.00 174.62 172.83 3gua s SER 81 N -2.18 6.36 0.59 8.08 0.15 -1.26 -0.90 113.70 124.53 3gua s SER 81 Ca -0.04 3.03 0.36 0.00 0.70 0.00 0.00 55.95 60.00 3gua s SER 81 Cb -0.01 -2.66 1.81 0.00 -1.71 0.00 0.00 66.02 63.45 3gua s SER 81 CO -0.05 -0.87 2.16 0.00 1.20 0.00 0.00 173.24 175.69 3gua h ALA 82 N 3.25 1.09 0.00 5.45 0.00 -1.18 -0.65 119.26 127.22 3gua h ALA 82 Ca -0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3gua h ALA 82 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gua h ALA 82 CO 0.66 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.95 3gua n ALA 83 N -2.14 2.11 1.07 0.00 0.00 -1.26 -3.10 120.51 117.18 3gua n ALA 83 Ca -0.02 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.47 3gua n ALA 83 Cb 0.19 -1.39 0.43 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 -1.47 0.37 -4.09 0.00 8.00 -0.25 -4.90 116.55 114.20 3gua n ASP 84 Ca 0.06 -0.10 -0.09 0.00 0.71 0.00 0.00 54.79 55.37 3gua n ASP 84 Cb 0.27 -0.04 -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 -2.89 0.40 0.38 0.53 -4.36 -1.18 -5.06 121.20 109.01 3gua s ILE 85 Ca 0.15 -1.60 -0.27 0.00 -0.26 0.00 0.00 60.65 58.67 3gua s ILE 85 Cb 0.18 -1.24 -0.10 0.00 1.25 0.00 0.00 42.46 42.55 3gua s ILE 85 CO 0.60 -0.79 1.41 0.86 0.24 0.00 0.00 174.94 177.26 3gua s TRP 86 N -3.08 2.70 0.06 1.37 -0.00 -1.26 -4.95 118.94 113.78 3gua s TRP 86 Ca 0.02 1.28 0.02 0.00 -0.00 0.00 0.00 56.10 57.42 3gua s TRP 86 Cb 0.02 -3.87 -0.03 0.00 -0.00 0.00 0.00 33.47 29.59 3gua s TRP 86 CO -0.05 -2.59 -0.08 0.95 -0.00 0.00 0.00 176.95 175.18 3gua s THR 87 N -1.16 0.59 0.55 5.86 -4.23 -1.26 -5.10 115.64 110.89 3gua s THR 87 Ca 0.54 -1.29 -0.17 0.00 -1.18 0.00 0.00 61.69 59.59 3gua s THR 87 Cb -0.43 -0.87 -0.06 0.00 1.34 0.00 0.00 72.50 72.48 3gua s THR 87 CO 0.57 -0.50 1.04 -2.16 -0.54 0.00 0.00 174.62 173.04 3gua s PRO 88 N -2.12 3.55 -0.59 3.99 0.04 -1.26 -4.93 135.00 133.68 3gua s PRO 88 Ca -0.05 1.20 -0.03 0.00 0.04 0.00 0.00 61.00 62.16 3gua s PRO 88 Cb -0.06 -2.07 0.16 0.00 0.04 0.00 0.00 34.50 32.57 3gua s PRO 88 CO -0.01 -0.62 2.51 -0.40 0.04 0.00 0.00 177.00 178.52 3gua n ASP 89 N -1.69 6.84 -4.64 6.66 5.75 -1.26 -4.97 116.55 123.25 3gua n ASP 89 Ca 0.08 -3.43 -0.43 0.00 -0.01 0.00 0.00 54.79 51.01 3gua n ASP 89 Cb 0.53 -1.17 -0.02 0.00 -1.03 0.00 0.00 41.12 39.42 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 -3.23 3.86 0.13 2.12 -1.09 -1.26 -2.54 121.20 119.19 3gua s ILE 90 Ca 0.56 1.00 0.09 0.00 -2.23 0.00 0.00 60.65 60.08 3gua s ILE 90 Cb 0.40 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.46 3gua s ILE 90 CO -0.29 -0.25 -0.21 -0.89 -1.23 0.00 0.00 174.94 172.08 3gua s THR 91 N 4.50 1.84 0.07 2.92 2.01 0.34 -4.88 115.64 122.44 3gua s THR 91 Ca 0.66 -1.69 -0.30 0.00 0.31 0.00 0.00 61.69 60.66 3gua s THR 91 Cb -0.25 -1.72 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 3gua s THR 91 CO 0.25 -0.11 1.12 0.00 -0.69 0.00 0.00 174.62 175.19 3gua s ALA 92 N -1.41 3.32 -0.32 7.40 0.00 -1.26 -1.25 121.76 128.24 3gua s ALA 92 Ca 0.10 0.75 0.22 0.00 0.00 0.00 0.00 51.96 53.04 3gua s ALA 92 Cb -0.09 -3.40 0.35 0.00 0.00 0.00 0.00 23.12 19.99 3gua s ALA 92 CO 0.05 -0.33 1.60 1.88 0.00 0.00 0.00 175.76 178.97 3gua h TYR 93 N 6.46 0.00 -0.80 0.00 0.05 -0.82 -3.35 116.97 118.51 3gua h TYR 93 Ca -0.42 0.00 -0.46 0.00 0.05 0.00 0.00 58.73 57.90 3gua h TYR 93 Cb 1.22 0.00 -0.42 0.00 1.01 0.00 0.00 36.73 38.54 3gua h TYR 93 CO 0.66 0.12 -0.91 -1.13 -1.05 0.00 0.00 178.16 175.85 3gua n SER 94 N -3.14 3.76 -4.82 3.88 3.41 -1.26 -5.02 113.62 110.43 3gua n SER 94 Ca 0.03 -3.22 -0.32 0.00 -0.26 0.00 0.00 58.87 55.11 3gua n SER 94 Cb 0.56 -0.41 0.03 0.00 -0.26 0.00 0.00 64.21 64.13 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 -3.61 5.65 0.00 4.04 1.04 -1.26 -1.66 113.70 117.90 3gua s SER 95 Ca 0.43 1.67 0.03 0.00 0.48 0.00 0.00 55.95 58.56 3gua s SER 95 Cb 0.39 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.98 3gua s SER 95 CO -0.01 -1.26 0.23 0.35 0.98 0.00 0.00 173.24 173.53 3gua n THR 96 N -2.62 0.00 -3.98 2.02 -2.24 0.91 -4.80 114.28 103.56 3gua n THR 96 Ca 0.08 -0.44 -0.09 0.00 -2.27 0.00 0.00 64.05 61.33 3gua n THR 96 Cb 0.53 1.01 -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 -1.13 0.47 0.28 -0.78 1.81 -1.24 -5.04 118.95 113.32 3gua s ARG 97 Ca 0.02 -0.77 -0.30 0.00 -1.72 0.00 0.00 55.73 52.96 3gua s ARG 97 Cb 0.03 0.17 -0.12 0.00 -0.45 0.00 0.00 34.95 34.58 3gua s ARG 97 CO 0.12 -0.09 1.55 -2.30 -0.68 0.00 0.00 175.30 173.89 3gua n PRO 98 N 1.03 2.54 -1.66 3.54 -0.02 -1.26 -4.63 135.00 134.55 3gua n PRO 98 Ca -0.20 0.90 -0.40 0.00 -2.02 0.00 0.00 63.50 61.78 3gua n PRO 98 Cb 0.57 -2.65 0.02 0.00 -0.02 0.00 0.00 33.50 31.42 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 2.01 2.85 -4.27 -1.45 0.31 -1.26 -4.89 118.33 111.63 3gua n VAL 99 Ca 0.09 -0.50 -0.34 0.00 -0.01 0.00 0.00 64.34 63.58 3gua n VAL 99 Cb 0.36 -1.36 -0.12 0.00 -0.91 0.00 0.00 33.84 31.80 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 -2.31 3.62 -0.14 5.55 -0.21 -0.66 -4.99 119.66 120.53 3gua s GLN 100 Ca 0.65 -0.53 -0.22 0.00 0.02 0.00 0.00 55.36 55.29 3gua s GLN 100 Cb -0.50 -2.97 -0.03 0.00 1.00 0.00 0.00 33.01 30.51 3gua s GLN 100 CO 0.55 0.13 0.65 0.08 -2.12 0.00 0.00 175.29 174.58 3gua s VAL 101 N 0.66 5.04 -0.26 1.09 1.01 -1.26 -1.03 120.40 125.64 3gua s VAL 101 Ca -0.02 1.28 0.20 0.00 0.00 0.00 0.00 61.98 63.45 3gua s VAL 101 Cb -0.14 -3.98 -0.29 0.00 0.00 0.00 0.00 36.38 31.97 3gua s VAL 101 CO 0.02 0.17 0.54 0.18 0.00 0.00 0.00 175.10 176.02 3gua n LEU 102 N 4.51 0.24 -4.65 3.92 4.77 0.13 -4.98 117.00 120.94 3gua n LEU 102 Ca -0.01 -0.13 -0.25 0.00 -0.03 0.00 0.00 56.01 55.58 3gua n LEU 102 Cb 0.50 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 3gua n LEU 102 CO 0.45 0.06 -0.27 -0.94 -1.33 0.00 0.00 177.39 175.37 3gua s SER 103 N -3.94 4.19 0.77 -1.43 1.04 -1.24 -4.94 113.70 108.14 3gua s SER 103 Ca -0.04 -1.07 -0.15 0.00 0.48 0.00 0.00 55.95 55.18 3gua s SER 103 Cb 0.13 -0.50 0.06 0.00 0.10 0.00 0.00 66.02 65.81 3gua s SER 103 CO 0.83 -0.34 1.20 -2.65 0.98 0.00 0.00 173.24 173.27 3gua n PRO 104 N -1.02 0.43 -3.05 4.02 -0.02 -1.26 -4.85 135.00 129.25 3gua n PRO 104 Ca -0.04 0.22 -0.44 0.00 -2.02 0.00 0.00 63.50 61.22 3gua n PRO 104 Cb 0.64 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3gua n PRO 104 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3gua n GLN 105 N -2.84 3.62 -4.38 -0.52 1.13 -1.26 -4.82 117.38 108.32 3gua n GLN 105 Ca 0.14 -4.16 -0.21 0.00 -1.94 0.00 0.00 57.00 50.83 3gua n GLN 105 Cb 0.50 -2.76 -0.16 0.00 0.11 0.00 0.00 30.24 27.93 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 -0.33 0.78 0.26 5.09 1.01 -1.26 -0.62 121.20 126.13 3gua s ILE 106 Ca 0.36 -0.33 0.09 0.00 0.00 0.00 0.00 60.65 60.76 3gua s ILE 106 Cb -0.03 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 3gua s ILE 106 CO -0.02 0.26 0.07 0.00 0.00 0.00 0.00 174.94 175.25 3gua s ALA 107 N 0.39 3.32 -0.18 9.38 0.00 -0.08 -4.60 121.76 129.98 3gua s ALA 107 Ca -0.06 -1.57 -0.00 0.00 0.00 0.00 0.00 51.96 50.32 3gua s ALA 107 Cb -0.11 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.06 3gua s ALA 107 CO 0.01 0.26 -0.15 0.08 0.00 0.00 0.00 175.76 175.96 3gua s VAL 108 N -2.26 2.61 -0.12 0.00 1.01 -0.03 -1.67 120.40 119.94 3gua s VAL 108 Ca 0.32 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 3gua s VAL 108 Cb -0.07 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 3gua s VAL 108 CO 0.22 0.50 0.00 -0.69 0.00 0.00 0.00 175.10 175.13 3gua s VAL 109 N 1.13 4.30 0.18 2.92 1.01 -0.02 -0.70 120.40 129.21 3gua s VAL 109 Ca 0.01 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 61.84 3gua s VAL 109 Cb -0.14 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 3gua s VAL 109 CO -0.05 0.55 -0.10 -0.89 0.00 0.00 0.00 175.10 174.60 3gua s THR 110 N -0.30 3.16 0.59 3.92 2.01 -0.30 -0.91 115.64 123.81 3gua s THR 110 Ca 0.06 -1.67 0.29 0.00 0.31 0.00 0.00 61.69 60.69 3gua s THR 110 Cb -0.12 -2.56 0.36 0.00 0.01 0.00 0.00 72.50 70.18 3gua s THR 110 CO 0.02 -0.11 2.14 1.12 -0.69 0.00 0.00 174.62 177.10 3gua h HIS 111 N 2.93 0.00 0.00 4.92 2.07 -1.43 0.25 115.15 123.89 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 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 3gua h HIS 111 CO 0.65 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.11 3gua n ASP 112 N -3.82 0.00 0.00 3.10 5.75 -1.26 -1.08 116.55 119.24 3gua n ASP 112 Ca 0.00 -0.53 0.00 0.00 -0.01 0.00 0.00 54.79 54.25 3gua n ASP 112 Cb 0.26 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 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 0.51 0.74 3.76 6.12 0.00 0.89 -4.64 105.19 112.57 3gua n GLY 113 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.55 7.30 -0.04 1.61 1.04 -1.21 -0.54 113.70 119.31 3gua s SER 114 Ca 0.00 1.55 0.02 0.00 0.48 0.00 0.00 55.95 57.99 3gua s SER 114 Cb 0.00 -2.49 -0.03 0.00 0.10 0.00 0.00 66.02 63.60 3gua s SER 114 CO 0.00 0.10 -0.07 -0.69 0.98 0.00 0.00 173.24 173.56 3gua s VAL 115 N -0.54 3.68 -0.11 5.02 1.01 0.83 -1.15 120.40 129.14 3gua s VAL 115 Ca 0.38 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.76 3gua s VAL 115 Cb -0.22 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.64 3gua s VAL 115 CO 0.25 0.51 -0.11 -0.32 0.00 0.00 0.00 175.10 175.43 3gua s MET 116 N -1.07 1.80 -0.11 2.72 1.75 0.12 -2.64 119.30 121.88 3gua s MET 116 Ca 0.14 -0.39 -0.01 0.00 -1.25 0.00 0.00 55.69 54.18 3gua s MET 116 Cb -0.11 -1.67 0.03 0.00 2.84 0.00 0.00 34.83 35.91 3gua s MET 116 CO 0.04 -0.16 -0.04 0.12 -0.65 0.00 0.00 175.02 174.33 3gua s PHE 117 N 1.30 1.19 -0.53 4.11 5.36 -0.70 -0.85 117.98 127.87 3gua s PHE 117 Ca -0.02 -0.57 0.06 0.00 -0.96 0.00 0.00 56.93 55.44 3gua s PHE 117 Cb -0.14 -1.08 0.21 0.00 -0.34 0.00 0.00 43.02 41.67 3gua s PHE 117 CO -0.05 -0.46 0.52 -0.89 -1.46 0.00 0.00 175.22 172.88 3gua n ILE 118 N 5.01 0.43 -2.59 3.12 5.41 -1.26 -0.13 119.36 129.36 3gua n ILE 118 Ca -0.10 -4.34 -0.40 0.00 1.00 0.00 0.00 62.75 58.91 3gua n ILE 118 Cb 0.50 -1.96 -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 -1.20 4.67 0.07 0.38 0.04 -1.21 -4.78 135.00 132.97 3gua s PRO 119 Ca 0.33 1.64 -0.24 0.00 0.04 0.00 0.00 61.00 62.77 3gua s PRO 119 Cb 0.08 -3.13 -0.06 0.00 0.04 0.00 0.00 34.50 31.42 3gua s PRO 119 CO -0.13 0.29 0.73 0.00 0.04 0.00 0.00 177.00 177.93 3gua s ALA 120 N -1.24 3.42 0.03 8.56 0.00 -1.26 -1.78 121.76 129.49 3gua s ALA 120 Ca 0.45 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.67 3gua s ALA 120 Cb -0.28 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 3gua s ALA 120 CO 0.36 0.16 -0.05 -0.65 0.00 0.00 0.00 175.76 175.57 3gua s GLN 121 N -0.41 0.44 -0.20 0.00 -0.21 -0.29 0.21 119.66 119.20 3gua s GLN 121 Ca 0.36 -0.74 -0.05 0.00 0.02 0.00 0.00 55.36 54.96 3gua s GLN 121 Cb -0.21 -0.05 -0.02 0.00 1.00 0.00 0.00 33.01 33.73 3gua s GLN 121 CO 0.23 -0.01 -0.01 0.50 -2.12 0.00 0.00 175.29 173.88 3gua s ARG 122 N -1.77 3.61 -0.10 2.91 3.52 -0.20 -1.77 118.95 125.15 3gua s ARG 122 Ca -0.11 -0.53 0.04 0.00 -0.13 0.00 0.00 55.73 55.00 3gua s ARG 122 Cb -0.08 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.26 3gua s ARG 122 CO -0.01 0.03 -0.22 -1.17 -0.81 0.00 0.00 175.30 173.12 3gua s LEU 123 N 0.95 2.00 -0.24 -0.88 2.96 0.05 -1.66 118.68 121.87 3gua s LEU 123 Ca 0.01 -0.51 -0.10 0.00 -0.22 0.00 0.00 54.13 53.31 3gua s LEU 123 Cb -0.14 -1.30 -0.05 0.00 0.50 0.00 0.00 46.19 45.20 3gua s LEU 123 CO 0.02 0.13 0.15 -0.44 -1.32 0.00 0.00 176.35 174.88 3gua s SER 124 N 0.43 5.99 0.15 3.68 0.01 -1.26 -1.13 113.70 121.57 3gua s SER 124 Ca -0.17 0.07 -0.00 0.00 1.31 0.00 0.00 55.95 57.16 3gua s SER 124 Cb -0.17 -2.08 -0.04 0.00 0.21 0.00 0.00 66.02 63.93 3gua s SER 124 CO 0.07 0.06 0.04 0.72 0.41 0.00 0.00 173.24 174.54 3gua s PHE 125 N 1.11 0.97 -0.09 2.43 -0.12 -0.64 -0.07 117.98 121.57 3gua s PHE 125 Ca 0.07 -1.18 -0.30 0.00 -0.05 0.00 0.00 56.93 55.48 3gua s PHE 125 Cb -0.14 -0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 41.66 3gua s PHE 125 CO 0.05 -0.43 1.52 -1.64 -0.05 0.00 0.00 175.22 174.67 3gua s MET 126 N -4.01 4.20 -0.29 1.99 -1.94 -0.67 -1.29 119.30 117.29 3gua s MET 126 Ca 0.24 2.01 -0.14 0.00 -1.71 0.00 0.00 55.69 56.09 3gua s MET 126 Cb 0.07 -3.91 0.12 0.00 2.01 0.00 0.00 34.83 33.12 3gua s MET 126 CO 0.03 -0.80 0.78 0.00 -0.01 0.00 0.00 175.02 175.02 3gua s ASP 128 N 2.07 6.43 -0.07 0.00 2.15 -1.26 -3.27 116.67 122.71 3gua s ASP 128 Ca -0.07 0.05 0.05 0.00 0.43 0.00 0.00 52.55 53.00 3gua s ASP 128 Cb -0.07 -2.35 0.26 0.00 -0.30 0.00 0.00 42.92 40.46 3gua s ASP 128 CO -0.18 -0.71 0.91 -0.81 -0.17 0.00 0.00 175.17 174.21 3gua n PRO 129 N 6.28 2.19 -1.71 4.34 -0.04 -1.26 -4.70 135.00 140.10 3gua n PRO 129 Ca 0.00 -0.99 -0.42 0.00 -0.04 0.00 0.00 63.50 62.05 3gua n PRO 129 Cb 0.48 -1.71 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 3gua n PRO 129 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3gua n THR 130 N 0.20 0.06 -0.49 0.52 -1.04 -1.26 -1.83 114.28 110.44 3gua n THR 130 Ca 0.09 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 3gua n THR 130 Cb 0.53 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 67.06 3gua n THR 130 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gua n GLY 131 N 3.99 0.75 0.26 3.41 0.00 -1.26 -4.43 105.19 107.90 3gua n GLY 131 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 0.52 -0.01 1.61 3.04 -1.55 -1.37 116.25 118.49 3gua h VAL 132 Ca 0.00 -0.65 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 3gua h VAL 132 Cb 0.00 1.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 3gua h VAL 132 CO 0.00 0.13 0.00 -0.90 -1.01 0.00 0.00 177.57 175.79 3gua n ASP 133 N -3.54 0.31 -3.93 3.17 5.75 -1.26 -0.68 116.55 116.37 3gua n ASP 133 Ca -0.01 -1.17 -0.18 0.00 -0.01 0.00 0.00 54.79 53.41 3gua n ASP 133 Cb 0.28 -0.00 -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 -0.73 2.28 0.08 -1.12 3.41 -0.53 -4.96 113.62 112.06 3gua n SER 134 Ca 0.21 -2.32 -0.22 0.00 -0.26 0.00 0.00 58.87 56.28 3gua n SER 134 Cb 0.15 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.98 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 0.61 0.00 4.33 4.81 -1.89 -3.23 114.58 119.20 3gua h GLU 135 Ca -0.24 -0.79 0.00 0.00 -0.13 0.00 0.00 59.36 58.20 3gua h GLU 135 Cb 0.87 0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3gua h GLU 135 CO 0.39 1.35 0.00 -0.85 -0.73 0.00 0.00 179.01 179.17 3gua n GLU 136 N -3.85 0.24 0.00 1.92 0.00 -1.26 -5.00 120.64 112.69 3gua n GLU 136 Ca -0.13 0.29 0.00 0.00 0.00 0.00 0.00 57.16 57.32 3gua n GLU 136 Cb 0.94 -1.83 0.00 0.00 0.00 0.00 0.00 31.44 30.55 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 0.83 -1.40 3.58 -1.84 0.00 -1.16 -4.84 105.19 100.36 3gua n GLY 137 Ca 0.04 -1.25 -0.26 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.32 2.97 -0.07 4.61 0.00 0.59 -4.31 121.76 124.24 3gua s ALA 138 Ca 0.00 -1.54 0.05 0.00 0.00 0.00 0.00 51.96 50.46 3gua s ALA 138 Cb 0.00 -0.71 -0.00 0.00 0.00 0.00 0.00 23.12 22.41 3gua s ALA 138 CO 0.00 0.41 -0.21 0.99 0.00 0.00 0.00 175.76 176.95 3gua s THR 139 N -1.90 1.79 0.10 0.00 2.01 -1.26 -0.99 115.64 115.38 3gua s THR 139 Ca 0.27 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.40 3gua s THR 139 Cb -0.08 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 3gua s THR 139 CO 0.16 0.50 -0.09 0.00 -0.69 0.00 0.00 174.62 174.50 3gua s ALA 141 N -2.57 0.25 -0.06 0.00 0.00 -1.26 -0.47 121.76 117.64 3gua s ALA 141 Ca 0.06 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.47 3gua s ALA 141 Cb -0.02 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.20 3gua s ALA 141 CO -0.01 -0.07 0.14 0.54 0.00 0.00 0.00 175.76 176.36 3gua s VAL 142 N -1.09 -0.02 -0.07 0.00 0.11 -0.21 -4.93 120.40 114.20 3gua s VAL 142 Ca -0.10 0.06 -0.11 0.00 -2.93 0.00 0.00 61.98 58.89 3gua s VAL 142 Cb -0.08 -0.22 -0.05 0.00 -1.53 0.00 0.00 36.38 34.51 3gua s VAL 142 CO -0.00 0.02 0.27 -0.54 -3.33 0.00 0.00 175.10 171.52 3gua s LYS 143 N 0.42 3.70 -0.07 1.54 1.02 -1.26 -0.74 119.74 124.34 3gua s LYS 143 Ca -0.03 0.13 0.04 0.00 0.02 0.00 0.00 55.97 56.13 3gua s LYS 143 Cb -0.04 -3.22 -0.02 0.00 -0.52 0.00 0.00 37.83 34.03 3gua s LYS 143 CO -0.02 0.71 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.88 3gua s PHE 144 N -0.98 2.62 0.10 3.18 0.08 0.98 -0.03 117.98 123.94 3gua s PHE 144 Ca 0.19 -0.48 -0.25 0.00 0.12 0.00 0.00 56.93 56.50 3gua s PHE 144 Cb -0.14 -1.67 0.09 0.00 -0.57 0.00 0.00 43.02 40.73 3gua s PHE 144 CO 0.08 -0.06 1.12 0.20 -0.10 0.00 0.00 175.22 176.46 3gua s GLY 145 N -0.26 -0.09 0.59 4.36 0.00 -0.38 0.26 107.32 111.80 3gua s GLY 145 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 44.72 44.53 3gua s GLY 145 CO 0.03 2.26 1.26 -0.45 0.00 0.00 0.00 173.10 176.19 3gua s SER 146 N -3.33 5.10 -0.01 1.64 0.15 -1.26 -0.50 113.70 115.48 3gua s SER 146 Ca 0.20 2.52 -0.04 0.00 0.70 0.00 0.00 55.95 59.34 3gua s SER 146 Cb -0.01 -2.61 -0.28 0.00 -1.71 0.00 0.00 66.02 61.41 3gua s SER 146 CO 0.02 -1.67 0.82 -0.25 1.20 0.00 0.00 173.24 173.37 3gua h TRP 147 N 0.97 0.48 0.00 3.44 2.91 -1.86 -3.42 115.95 118.47 3gua h TRP 147 Ca -0.51 -0.35 0.00 0.00 1.13 0.00 0.00 58.89 59.16 3gua h TRP 147 Cb 1.31 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.94 3gua h TRP 147 CO 0.45 1.42 0.00 1.33 -1.03 0.00 0.00 178.44 180.61 3gua n VAL 148 N -3.46 0.00 -3.91 2.65 0.24 -1.26 -5.04 118.33 107.54 3gua n VAL 148 Ca -0.18 -0.37 -0.35 0.00 -2.04 0.00 0.00 64.34 61.41 3gua n VAL 148 Cb 1.05 1.08 -0.09 0.00 -1.47 0.00 0.00 33.84 34.41 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 -0.51 3.34 0.93 6.34 2.02 -1.26 -5.11 117.35 123.10 3gua s TYR 149 Ca 0.00 0.22 -0.14 0.00 -0.37 0.00 0.00 57.07 56.78 3gua s TYR 149 Cb 0.00 -2.08 0.19 0.00 -0.40 0.00 0.00 41.96 39.67 3gua s TYR 149 CO 0.00 0.28 1.28 -1.54 -1.57 0.00 0.00 175.55 174.00 3gua s SER 150 N 0.16 3.25 0.52 2.29 1.04 -1.26 -4.68 113.70 115.01 3gua s SER 150 Ca 0.06 0.14 0.26 0.00 0.48 0.00 0.00 55.95 56.90 3gua s SER 150 Cb -0.12 -0.21 1.43 0.00 0.10 0.00 0.00 66.02 67.22 3gua s SER 150 CO -0.00 -2.64 2.08 1.23 0.98 0.00 0.00 173.24 174.89 3gua h GLY 151 N -1.50 0.00 2.00 7.32 0.00 -0.76 -0.36 103.07 109.77 3gua h GLY 151 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3gua h GLY 151 CO 0.37 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.65 3gua h PHE 152 N 0.00 0.00 0.00 5.60 0.04 -1.93 -3.35 116.94 117.30 3gua h PHE 152 Ca -0.00 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 3gua h PHE 152 Cb 0.30 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 3gua h PHE 152 CO 0.00 0.00 -1.36 0.39 -0.60 0.00 0.00 178.31 176.74 3gua n GLU 153 N -2.83 0.30 -4.17 1.51 4.71 -0.63 -4.29 120.64 115.25 3gua n GLU 153 Ca 0.01 0.13 -0.33 0.00 -0.01 0.00 0.00 57.16 56.95 3gua n GLU 153 Cb 0.25 -1.00 -0.16 0.00 -1.01 0.00 0.00 31.44 29.52 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 -2.34 2.33 -0.07 -3.67 1.01 -0.24 -0.73 121.20 117.49 3gua s ILE 154 Ca -0.18 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.57 3gua s ILE 154 Cb 0.06 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 3gua s ILE 154 CO 0.24 0.52 0.14 -0.62 0.00 0.00 0.00 174.94 175.22 3gua s ASP 155 N 1.24 6.21 0.10 3.58 2.15 0.27 -3.82 116.67 126.40 3gua s ASP 155 Ca 0.03 0.37 0.03 0.00 0.43 0.00 0.00 52.55 53.41 3gua s ASP 155 Cb -0.14 -1.95 -0.04 0.00 -0.30 0.00 0.00 42.92 40.49 3gua s ASP 155 CO -0.09 0.35 0.11 -0.76 -0.17 0.00 0.00 175.17 174.60 3gua s LEU 156 N -1.37 3.87 0.09 -1.34 1.43 -1.26 -0.28 118.68 119.82 3gua s LEU 156 Ca 0.19 -0.00 -0.16 0.00 -1.03 0.00 0.00 54.13 53.13 3gua s LEU 156 Cb -0.12 -2.53 0.03 0.00 0.03 0.00 0.00 46.19 43.61 3gua s LEU 156 CO 0.09 0.15 0.39 -1.59 0.23 0.00 0.00 176.35 175.62 3gua s LYS 157 N -2.58 1.00 0.20 1.70 -2.85 -0.46 -4.91 119.74 111.84 3gua s LYS 157 Ca 0.30 -0.60 0.10 0.00 -1.00 0.00 0.00 55.97 54.78 3gua s LYS 157 Cb -0.12 0.44 -0.04 0.00 -2.06 0.00 0.00 37.83 36.05 3gua s LYS 157 CO 0.23 -0.37 -0.16 0.95 0.10 0.00 0.00 175.35 176.10 3gua s THR 158 N -3.32 2.79 -0.20 3.79 -4.23 -1.26 -0.55 115.64 112.66 3gua s THR 158 Ca 0.00 -1.91 0.16 0.00 -1.18 0.00 0.00 61.69 58.77 3gua s THR 158 Cb 0.01 -2.38 0.09 0.00 1.34 0.00 0.00 72.50 71.56 3gua s THR 158 CO -0.08 -0.16 1.41 0.44 -0.54 0.00 0.00 174.62 175.69 3gua h ASP 159 N 2.90 0.00 -5.01 3.99 3.32 -1.97 -3.48 116.42 116.17 3gua h ASP 159 Ca -0.46 0.00 -0.03 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 0.53 0.42 0.18 0.28 -1.72 0.00 0.00 179.24 178.93 3gua s THR 160 N -3.00 0.01 -0.78 0.35 -1.32 -1.26 -5.04 115.64 104.60 3gua s THR 160 Ca 0.04 -0.07 0.27 0.00 -1.21 0.00 0.00 61.69 60.72 3gua s THR 160 Cb 0.07 -1.02 0.26 0.00 -1.51 0.00 0.00 72.50 70.30 3gua s THR 160 CO 0.74 -0.04 1.77 0.47 -2.21 0.00 0.00 174.62 175.35 3gua n ASP 161 N -0.30 0.65 -4.58 8.08 8.00 -1.26 -4.73 116.55 122.41 3gua n ASP 161 Ca -0.17 0.52 -0.42 0.00 0.71 0.00 0.00 54.79 55.43 3gua n ASP 161 Cb 0.64 -0.66 -0.06 0.00 -0.02 0.00 0.00 41.12 41.03 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 -3.08 3.71 0.21 -1.24 -1.52 -1.26 -0.69 119.66 115.79 3gua s GLN 162 Ca 0.11 0.13 -0.31 0.00 -1.95 0.00 0.00 55.36 53.34 3gua s GLN 162 Cb 0.14 -3.80 -0.11 0.00 -0.22 0.00 0.00 33.01 29.02 3gua s GLN 162 CO 0.59 -0.74 1.60 0.08 -0.25 0.00 0.00 175.29 176.58 3gua s VAL 163 N 2.77 2.35 -0.42 1.09 1.01 -0.75 -4.87 120.40 121.59 3gua s VAL 163 Ca 0.26 0.27 -0.28 0.00 0.00 0.00 0.00 61.98 62.22 3gua s VAL 163 Cb -0.14 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 3gua s VAL 163 CO 0.15 0.03 1.76 -0.62 0.00 0.00 0.00 175.10 176.42 3gua s ASP 164 N 0.95 5.79 0.00 3.32 2.15 -0.04 -4.87 116.67 123.96 3gua s ASP 164 Ca 0.69 0.98 0.21 0.00 0.43 0.00 0.00 52.55 54.86 3gua s ASP 164 Cb -0.46 -2.53 0.56 0.00 -0.30 0.00 0.00 42.92 40.19 3gua s ASP 164 CO 0.36 -1.85 1.47 0.18 -0.17 0.00 0.00 175.17 175.16 3gua n LEU 165 N 10.75 3.72 0.05 -1.34 4.77 -1.26 -2.12 117.00 131.58 3gua n LEU 165 Ca 0.21 -1.89 0.10 0.00 -0.03 0.00 0.00 56.01 54.41 3gua n LEU 165 Cb 0.48 -0.41 0.43 0.00 -2.33 0.00 0.00 43.42 41.60 3gua n LEU 165 CO 0.69 0.91 0.83 -1.54 -1.33 0.00 0.00 177.39 176.95 3gua n SER 166 N 1.48 0.31 -0.49 -1.43 3.41 -1.26 -2.20 113.62 113.44 3gua n SER 166 Ca 0.22 0.56 0.04 0.00 -0.26 0.00 0.00 58.87 59.43 3gua n SER 166 Cb 0.59 -0.63 0.11 0.00 -0.26 0.00 0.00 64.21 64.03 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 -1.83 2.68 -4.73 4.04 7.64 -1.26 -5.02 113.62 115.15 3gua n SER 167 Ca 0.04 -1.98 -0.42 0.00 1.01 0.00 0.00 58.87 57.52 3gua n SER 167 Cb 0.25 -0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.25 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 -0.99 3.03 -0.23 1.43 5.04 -0.93 -4.61 117.35 120.09 3gua s TYR 168 Ca 0.18 0.70 -0.33 0.00 -2.44 0.00 0.00 57.07 55.17 3gua s TYR 168 Cb 0.09 -3.92 -0.10 0.00 0.35 0.00 0.00 41.96 38.38 3gua s TYR 168 CO 0.12 -3.32 2.09 0.98 -1.34 0.00 0.00 175.55 174.08 3gua n TYR 169 N 3.55 1.93 -0.28 4.97 9.36 0.17 -4.84 117.16 132.02 3gua n TYR 169 Ca 0.12 0.09 0.15 0.00 3.32 0.00 0.00 57.90 61.58 3gua n TYR 169 Cb 0.39 -2.62 0.41 0.00 -0.63 0.00 0.00 39.34 36.88 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 11.92 1.92 -0.53 2.98 0.00 -1.89 -2.58 119.26 131.09 3gua h ALA 170 Ca -0.38 0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.27 3gua h ALA 170 Cb 1.29 -0.08 -0.17 0.00 0.00 0.00 0.00 17.79 18.82 3gua h ALA 170 CO 0.98 -0.21 0.07 0.43 0.00 0.00 0.00 179.25 180.52 3gua n SER 171 N -4.59 3.04 -4.72 0.00 7.64 -1.26 -5.02 113.62 108.71 3gua n SER 171 Ca 0.19 -3.76 -0.32 0.00 1.01 0.00 0.00 58.87 55.99 3gua n SER 171 Cb 0.57 -0.68 0.12 0.00 -1.01 0.00 0.00 64.21 63.21 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 -2.33 3.85 0.54 6.43 0.15 -0.97 -4.91 113.70 116.45 3gua s SER 172 Ca 0.48 2.11 0.31 0.00 0.70 0.00 0.00 55.95 59.55 3gua s SER 172 Cb 0.43 -2.56 1.49 0.00 -1.71 0.00 0.00 66.02 63.67 3gua s SER 172 CO 0.02 -2.48 2.06 0.11 1.20 0.00 0.00 173.24 174.14 3gua h LYS 173 N -1.14 0.00 -5.50 5.44 1.79 -1.91 -3.43 116.57 111.82 3gua h LYS 173 Ca -0.45 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.47 3gua h LYS 173 Cb 1.26 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 31.61 3gua h LYS 173 CO 0.47 0.09 -0.84 0.71 -1.08 0.00 0.00 179.45 178.81 3gua s TYR 174 N -3.98 1.65 0.05 -1.35 2.02 -1.26 -1.50 117.35 112.98 3gua s TYR 174 Ca -0.02 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.30 3gua s TYR 174 Cb 0.12 -1.09 -0.04 0.00 -0.40 0.00 0.00 41.96 40.55 3gua s TYR 174 CO 0.56 -0.09 0.11 -1.83 -1.57 0.00 0.00 175.55 172.73 3gua s GLU 175 N -0.19 3.07 -0.16 -0.62 -1.05 -0.35 -4.76 118.70 114.64 3gua s GLU 175 Ca 0.02 -0.57 -0.22 0.00 -0.15 0.00 0.00 54.97 54.05 3gua s GLU 175 Cb -0.09 -2.84 -0.03 0.00 -0.44 0.00 0.00 34.13 30.73 3gua s GLU 175 CO 0.01 0.60 0.68 0.42 0.95 0.00 0.00 175.26 177.91 3gua s ILE 176 N -1.36 5.01 -0.08 1.83 -1.09 -1.26 -2.35 121.20 121.89 3gua s ILE 176 Ca 0.29 1.31 -0.02 0.00 -2.23 0.00 0.00 60.65 60.00 3gua s ILE 176 Cb -0.12 -4.00 -0.26 0.00 -1.58 0.00 0.00 42.46 36.50 3gua s ILE 176 CO 0.21 0.13 0.52 -0.07 -1.23 0.00 0.00 174.94 174.50 3gua h LEU 177 N 7.87 0.32 -7.00 2.97 3.38 -0.23 -3.49 115.31 119.13 3gua h LEU 177 Ca -0.33 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 56.97 3gua h LEU 177 Cb 1.15 -0.10 -0.17 0.00 0.09 0.00 0.00 40.66 41.62 3gua h LEU 177 CO 0.78 1.59 0.31 -0.94 0.09 0.00 0.00 178.44 180.28 3gua s SER 178 N -6.81 -0.54 -0.14 -0.43 1.04 -1.08 -4.98 113.70 100.76 3gua s SER 178 Ca -0.16 0.36 -0.05 0.00 0.48 0.00 0.00 55.95 56.59 3gua s SER 178 Cb 0.07 0.49 0.07 0.00 0.10 0.00 0.00 66.02 66.75 3gua s SER 178 CO 0.80 -0.66 0.27 0.00 0.98 0.00 0.00 173.24 174.63 3gua s ALA 179 N -2.14 -0.56 0.22 5.32 0.00 -1.26 -0.45 121.76 122.90 3gua s ALA 179 Ca -0.04 0.88 0.11 0.00 0.00 0.00 0.00 51.96 52.91 3gua s ALA 179 Cb -0.00 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 3gua s ALA 179 CO -0.00 -0.72 -0.20 0.95 0.00 0.00 0.00 175.76 175.79 3gua s THR 180 N 2.42 2.20 -0.15 0.00 -4.23 -0.24 -1.81 115.64 113.84 3gua s THR 180 Ca 0.02 -2.19 -0.02 0.00 -1.18 0.00 0.00 61.69 58.33 3gua s THR 180 Cb -0.12 -2.13 0.04 0.00 1.34 0.00 0.00 72.50 71.63 3gua s THR 180 CO -0.09 -0.34 -0.00 0.00 -0.54 0.00 0.00 174.62 173.65 3gua s GLN 181 N -3.18 0.88 -0.05 3.99 -2.07 0.14 -1.09 119.66 118.28 3gua s GLN 181 Ca 0.24 -0.29 0.04 0.00 -1.82 0.00 0.00 55.36 53.53 3gua s GLN 181 Cb -0.05 -1.73 -0.00 0.00 -1.09 0.00 0.00 33.01 30.13 3gua s GLN 181 CO 0.11 -0.47 -0.17 0.99 -1.32 0.00 0.00 175.29 174.42 3gua s THR 182 N 1.82 1.47 0.22 3.63 2.01 -0.61 -4.29 115.64 119.90 3gua s THR 182 Ca 0.01 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 60.99 3gua s THR 182 Cb -0.15 -1.28 -0.08 0.00 0.01 0.00 0.00 72.50 71.00 3gua s THR 182 CO -0.07 0.43 1.01 -0.60 -0.69 0.00 0.00 174.62 174.69 3gua s ARG 183 N 0.16 4.73 -0.02 4.92 3.52 -1.26 -0.03 118.95 130.98 3gua s ARG 183 Ca -0.07 1.60 0.03 0.00 -0.13 0.00 0.00 55.73 57.16 3gua s ARG 183 Cb -0.13 -3.28 -0.00 0.00 -1.56 0.00 0.00 34.95 29.98 3gua s ARG 183 CO 0.03 0.31 -0.11 -0.65 -0.81 0.00 0.00 175.30 174.07 3gua s GLN 184 N -0.89 1.02 -0.27 5.12 -0.21 0.89 -4.92 119.66 120.40 3gua s GLN 184 Ca 0.44 -0.40 -0.04 0.00 0.02 0.00 0.00 55.36 55.38 3gua s GLN 184 Cb -0.28 -0.97 0.01 0.00 1.00 0.00 0.00 33.01 32.78 3gua s GLN 184 CO 0.34 0.21 0.01 0.08 -2.12 0.00 0.00 175.29 173.81 3gua s VAL 185 N -0.11 3.47 -0.28 1.09 1.01 -1.26 -0.76 120.40 123.56 3gua s VAL 185 Ca 0.02 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 3gua s VAL 185 Cb -0.06 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 3gua s VAL 185 CO 0.00 0.15 0.12 -1.10 0.00 0.00 0.00 175.10 174.27 3gua s GLN 186 N 1.42 3.56 -0.25 2.72 -1.52 0.24 -4.92 119.66 120.92 3gua s GLN 186 Ca 0.02 -0.56 -0.13 0.00 -1.95 0.00 0.00 55.36 52.74 3gua s GLN 186 Cb -0.17 -3.46 -0.04 0.00 -0.22 0.00 0.00 33.01 29.12 3gua s GLN 186 CO -0.01 -0.28 0.28 -1.01 -0.25 0.00 0.00 175.29 174.02 3gua s HIS 187 N 1.63 3.28 0.35 0.91 3.76 -1.26 -2.13 115.29 121.82 3gua s HIS 187 Ca 0.06 0.33 0.07 0.00 -0.15 0.00 0.00 55.06 55.36 3gua s HIS 187 Cb -0.16 -2.44 -0.01 0.00 1.11 0.00 0.00 32.58 31.07 3gua s HIS 187 CO 0.05 -0.11 0.42 0.71 -0.85 0.00 0.00 174.74 174.97 3gua s TYR 188 N 1.63 3.00 0.11 1.40 1.51 -1.26 -5.04 117.35 118.69 3gua s TYR 188 Ca 0.12 -0.28 -0.13 0.00 -1.01 0.00 0.00 57.07 55.78 3gua s TYR 188 Cb -0.15 -1.97 -0.14 0.00 -0.11 0.00 0.00 41.96 39.58 3gua s TYR 188 CO 0.09 0.01 1.33 0.66 -1.11 0.00 0.00 175.55 176.52 3gua h SER 189 N 0.99 0.96 -0.53 2.29 4.64 -2.00 -3.27 113.55 116.63 3gua h SER 189 Ca -0.45 -0.61 0.06 0.00 -0.47 0.00 0.00 61.79 60.33 3gua h SER 189 Cb 1.26 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 63.04 3gua h SER 189 CO 0.54 1.40 0.35 0.00 -0.87 0.00 0.00 176.83 178.26 3gua n PRO 192 N 5.32 1.99 -3.84 0.00 -0.05 -1.26 -4.21 135.00 132.95 3gua n PRO 192 Ca -0.05 -1.27 -0.13 0.00 -0.05 0.00 0.00 63.50 62.00 3gua n PRO 192 Cb 0.50 -1.92 -0.14 0.00 -0.05 0.00 0.00 33.50 31.89 3gua n PRO 192 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 175.50 173.62 3gua s GLU 193 N 0.06 0.02 0.21 0.54 -1.05 -1.26 -5.12 118.70 112.09 3gua s GLU 193 Ca 0.56 0.08 -0.32 0.00 -0.15 0.00 0.00 54.97 55.14 3gua s GLU 193 Cb 0.30 -0.05 -0.12 0.00 -0.44 0.00 0.00 34.13 33.82 3gua s GLU 193 CO -0.06 -0.04 1.72 -0.35 0.95 0.00 0.00 175.26 177.47 3gua n PRO 194 N 3.34 2.74 -4.31 -4.83 -0.04 -1.26 -4.67 135.00 125.97 3gua n PRO 194 Ca -0.16 0.99 -0.34 0.00 -0.04 0.00 0.00 63.50 63.95 3gua n PRO 194 Cb 0.57 -2.83 -0.13 0.00 -0.04 0.00 0.00 33.50 31.08 3gua n PRO 194 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3gua s TYR 195 N 1.14 3.01 -0.04 0.54 1.51 -0.91 -0.31 117.35 122.29 3gua s TYR 195 Ca 0.75 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 56.43 3gua s TYR 195 Cb -0.52 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.31 3gua s TYR 195 CO 0.33 -0.14 -0.11 0.42 -1.11 0.00 0.00 175.55 174.93 3gua s ILE 196 N 0.61 3.30 0.08 2.71 -1.09 -1.26 0.82 121.20 126.38 3gua s ILE 196 Ca -0.02 -0.68 -0.09 0.00 -2.23 0.00 0.00 60.65 57.63 3gua s ILE 196 Cb -0.14 -2.33 -0.00 0.00 -1.58 0.00 0.00 42.46 38.40 3gua s ILE 196 CO 0.02 0.56 0.19 1.51 -1.23 0.00 0.00 174.94 175.99 3gua s ASP 197 N -0.86 0.11 -0.19 3.58 1.47 0.06 -4.54 116.67 116.30 3gua s ASP 197 Ca 0.12 -0.62 -0.05 0.00 1.18 0.00 0.00 52.55 53.19 3gua s ASP 197 Cb -0.11 0.33 -0.03 0.00 -0.34 0.00 0.00 42.92 42.78 3gua s ASP 197 CO 0.02 -0.70 0.01 -0.69 0.68 0.00 0.00 175.17 174.48 3gua s VAL 198 N -3.69 4.12 -0.43 2.11 1.01 0.14 -0.08 120.40 123.58 3gua s VAL 198 Ca 0.04 -0.26 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 3gua s VAL 198 Cb 0.04 -2.85 0.04 0.00 0.00 0.00 0.00 36.38 33.60 3gua s VAL 198 CO -0.10 0.44 0.36 0.21 0.00 0.00 0.00 175.10 176.01 3gua s ASN 199 N 0.80 6.14 -0.33 3.32 2.47 0.96 -0.01 114.94 128.28 3gua s ASN 199 Ca 0.01 -1.00 -0.22 0.00 0.42 0.00 0.00 52.86 52.06 3gua s ASN 199 Cb -0.14 -2.18 0.00 0.00 -1.45 0.00 0.00 41.25 37.48 3gua s ASN 199 CO 0.02 -0.54 0.72 -0.22 -3.72 0.00 0.00 177.10 173.36 3gua s LEU 200 N 1.76 4.14 -0.19 3.21 2.96 0.08 -1.57 118.68 129.07 3gua s LEU 200 Ca 0.06 0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.41 3gua s LEU 200 Cb -0.20 -2.95 0.03 0.00 0.50 0.00 0.00 46.19 43.57 3gua s LEU 200 CO 0.09 -0.61 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.65 3gua s VAL 201 N 2.87 2.00 -0.12 1.68 1.01 -0.25 -1.04 120.40 126.55 3gua s VAL 201 Ca 0.29 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.24 3gua s VAL 201 Cb -0.14 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 3gua s VAL 201 CO 0.14 0.40 -0.16 -0.69 0.00 0.00 0.00 175.10 174.79 3gua s VAL 202 N 1.28 2.78 -0.23 2.92 1.01 0.37 -1.08 120.40 127.46 3gua s VAL 202 Ca 0.02 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 3gua s VAL 202 Cb -0.14 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 3gua s VAL 202 CO -0.11 0.54 0.04 -0.54 0.00 0.00 0.00 175.10 175.03 3gua s LYS 203 N 0.28 3.66 0.09 2.72 1.02 0.41 -0.65 119.74 127.27 3gua s LYS 203 Ca -0.12 -0.49 -0.01 0.00 0.02 0.00 0.00 55.97 55.37 3gua s LYS 203 Cb -0.16 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 3gua s LYS 203 CO 0.06 -0.09 0.02 -0.59 -0.92 0.00 0.00 175.35 173.83 3gua s PHE 204 N 1.31 0.69 0.19 3.18 -0.12 -0.17 0.57 117.98 123.63 3gua s PHE 204 Ca 0.05 -1.15 -0.13 0.00 -0.05 0.00 0.00 56.93 55.65 3gua s PHE 204 Cb -0.15 -0.43 0.01 0.00 -0.63 0.00 0.00 43.02 41.82 3gua s PHE 204 CO 0.02 -0.45 0.41 -0.98 -0.05 0.00 0.00 175.22 174.17 3gua s ARG 205 N -3.98 1.29 0.40 1.99 1.70 -0.99 -0.30 118.95 119.06 3gua s ARG 205 Ca 0.16 -1.05 -0.26 0.00 -0.47 0.00 0.00 55.73 54.11 3gua s ARG 205 Cb 0.08 0.45 -0.09 0.00 -0.57 0.00 0.00 34.95 34.82 3gua s ARG 205 CO -0.04 -0.51 1.30 -1.21 -1.08 0.00 0.00 175.30 173.76 3gua s GLU 206 N -3.93 3.97 0.45 3.89 2.02 0.14 -1.21 118.70 124.04 3gua s GLU 206 Ca 0.14 2.15 -0.25 0.00 0.02 0.00 0.00 54.97 57.03 3gua s GLU 206 Cb 0.01 -2.76 -0.09 0.00 0.10 0.00 0.00 34.13 31.40 3gua s GLU 206 CO -0.00 -0.49 1.37 -2.13 0.02 0.00 0.00 175.26 174.03 3gua n ARG 207 N 0.13 2.09 0.00 1.61 0.63 -0.56 -4.72 116.66 115.84 3gua n ARG 207 Ca 0.04 0.75 0.00 0.00 -0.92 0.00 0.00 57.85 57.71 3gua n ARG 207 Cb 0.44 -2.54 0.00 0.00 0.45 0.00 0.00 32.46 30.81 3gua n ARG 207 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66