#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3go8 s GLU 3 N 0.00 2.01 0.21 0.54 0.41 -1.26 -4.75 118.70 115.85 3go8 s GLU 3 Ca 0.00 -0.26 -0.12 0.00 -0.41 0.00 0.00 54.97 54.18 3go8 s GLU 3 Cb 0.00 -2.12 0.27 0.00 -1.78 0.00 0.00 34.13 30.50 3go8 s GLU 3 CO 0.00 -1.40 1.65 1.25 -0.49 0.00 0.00 175.26 176.28 3go8 h LEU 4 N -0.74 -0.36 -1.00 1.80 6.46 -1.90 -0.33 115.31 119.25 3go8 h LEU 4 Ca -0.44 0.16 0.07 0.00 -0.12 0.00 0.00 57.88 57.55 3go8 h LEU 4 Cb 1.31 0.30 -0.07 0.00 -0.73 0.00 0.00 40.66 41.47 3go8 h LEU 4 CO 0.58 -0.14 0.64 -0.65 -0.62 0.00 0.00 178.44 178.25 3go8 h PRO 5 N 0.08 1.11 -0.31 5.25 0.11 -1.90 0.23 132.00 136.56 3go8 h PRO 5 Ca 0.31 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 66.20 3go8 h PRO 5 Cb 0.50 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 3go8 h PRO 5 CO -0.55 0.73 -0.43 0.93 -0.21 0.00 0.00 178.00 178.47 3go8 h GLU 6 N 1.14 0.79 -0.90 1.05 5.08 -1.47 -2.17 114.58 118.10 3go8 h GLU 6 Ca 0.44 -0.43 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3go8 h GLU 6 Cb 0.21 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 3go8 h GLU 6 CO -0.19 1.06 0.59 0.28 -1.00 0.00 0.00 179.01 179.76 3go8 h VAL 7 N 0.64 1.23 -0.96 3.13 2.07 -0.51 -0.18 116.25 121.67 3go8 h VAL 7 Ca 0.04 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3go8 h VAL 7 Cb 1.00 -0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 3go8 h VAL 7 CO 0.10 0.22 0.62 -0.08 0.02 0.00 0.00 177.57 178.45 3go8 h GLU 8 N 1.22 1.28 -0.67 1.57 4.57 -0.74 -0.27 114.58 121.55 3go8 h GLU 8 Ca 0.33 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.39 3go8 h GLU 8 Cb -0.14 -0.28 -0.03 0.00 -0.16 0.00 0.00 28.75 28.14 3go8 h GLU 8 CO -0.07 0.87 0.33 1.15 -1.18 0.00 0.00 179.01 180.11 3go8 h THR 9 N 1.32 1.22 -0.35 0.32 2.02 -0.72 -1.54 112.91 115.18 3go8 h THR 9 Ca 0.35 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3go8 h THR 9 Cb -0.11 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 3go8 h THR 9 CO -0.07 0.25 0.18 0.40 0.37 0.00 0.00 175.52 176.65 3go8 h ILE 10 N 0.92 1.15 -0.21 3.11 2.04 -0.68 -0.42 117.51 123.42 3go8 h ILE 10 Ca 0.23 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.72 3go8 h ILE 10 Cb 0.09 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 3go8 h ILE 10 CO -0.03 0.16 -0.12 -0.09 0.00 0.00 0.00 178.15 178.07 3go8 h ARG 11 N 0.44 -0.10 -0.54 2.37 2.43 -0.76 0.13 114.38 118.35 3go8 h ARG 11 Ca 0.12 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 3go8 h ARG 11 Cb 0.09 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3go8 h ARG 11 CO -0.02 -0.07 0.15 -0.09 -1.51 0.00 0.00 179.97 178.43 3go8 h ARG 12 N -0.11 0.85 0.11 0.20 2.43 -1.10 -2.80 114.38 113.96 3go8 h ARG 12 Ca 0.12 -0.20 -0.28 0.00 -0.81 0.00 0.00 59.98 58.81 3go8 h ARG 12 Cb 0.28 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3go8 h ARG 12 CO -0.28 0.79 -1.34 1.79 -1.51 0.00 0.00 179.97 179.43 3go8 h THR 13 N 0.75 1.37 -0.12 0.20 1.35 -0.86 -3.36 112.91 112.24 3go8 h THR 13 Ca 0.17 -2.99 -0.20 0.00 -0.55 0.00 0.00 66.41 62.84 3go8 h THR 13 Cb 0.31 2.85 0.01 0.00 -1.73 0.00 0.00 68.15 69.59 3go8 h THR 13 CO -0.00 0.86 -0.70 0.25 -0.25 0.00 0.00 175.52 175.68 3go8 h LEU 14 N 0.06 0.83 -0.67 3.87 5.85 -0.78 -3.37 115.31 121.09 3go8 h LEU 14 Ca -0.17 -0.64 0.09 0.00 0.84 0.00 0.00 57.88 58.00 3go8 h LEU 14 Cb 1.97 -0.25 -0.11 0.00 0.37 0.00 0.00 40.66 42.64 3go8 h LEU 14 CO 0.18 1.34 -0.47 0.25 -0.34 0.00 0.00 178.44 179.40 3go8 h LEU 15 N 0.37 -1.64 -2.65 2.25 5.85 -1.64 0.56 115.31 118.42 3go8 h LEU 15 Ca -0.05 0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 3go8 h LEU 15 Cb 1.34 0.74 -0.00 0.00 0.37 0.00 0.00 40.66 43.11 3go8 h LEU 15 CO 0.14 -0.32 -0.01 1.55 -0.34 0.00 0.00 178.44 179.46 3go8 h PRO 16 N -0.19 0.00 0.00 5.25 0.13 -1.78 0.36 132.00 135.77 3go8 h PRO 16 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3go8 h PRO 16 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 3go8 h PRO 16 CO -0.75 0.01 -0.08 1.28 -0.23 0.00 0.00 178.00 178.23 3go8 n LEU 17 N -3.43 0.71 0.00 1.56 4.77 0.17 -4.17 117.00 116.61 3go8 n LEU 17 Ca -0.03 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 3go8 n LEU 17 Cb 0.10 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3go8 n LEU 17 CO 0.24 -0.14 -0.14 2.30 -1.33 0.00 0.00 177.39 178.31 3go8 n ILE 18 N -2.15 0.00 -1.82 -0.08 -5.35 -0.88 -5.01 119.36 104.08 3go8 n ILE 18 Ca 0.05 -0.15 -0.41 0.00 -0.27 0.00 0.00 62.75 61.97 3go8 n ILE 18 Cb 0.42 0.65 -0.01 0.00 -1.74 0.00 0.00 39.64 38.95 3go8 n ILE 18 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3go8 s VAL 19 N -0.87 2.14 0.00 7.28 0.11 0.06 -2.04 120.40 127.08 3go8 s VAL 19 Ca 0.00 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 3go8 s VAL 19 Cb 0.00 -3.08 0.00 0.00 -1.53 0.00 0.00 36.38 31.77 3go8 s VAL 19 CO 0.00 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.40 3go8 n GLY 20 N 1.77 1.79 3.80 6.54 0.00 0.78 -4.99 105.19 114.88 3go8 n GLY 20 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3go8 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3go8 s LYS 21 N -0.06 4.43 -0.16 1.61 1.02 -0.87 -4.81 119.74 120.91 3go8 s LYS 21 Ca 0.00 1.18 -0.04 0.00 0.02 0.00 0.00 55.97 57.12 3go8 s LYS 21 Cb 0.00 -2.69 -0.03 0.00 -0.52 0.00 0.00 37.83 34.59 3go8 s LYS 21 CO 0.00 0.24 -0.02 0.99 -0.92 0.00 0.00 175.35 175.64 3go8 s THR 22 N -1.71 4.03 -0.03 2.17 2.01 -1.26 -0.87 115.64 119.98 3go8 s THR 22 Ca 0.51 -0.31 -0.30 0.00 0.31 0.00 0.00 61.69 61.91 3go8 s THR 22 Cb -0.16 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 3go8 s THR 22 CO 0.21 0.48 1.39 -0.63 -0.69 0.00 0.00 174.62 175.38 3go8 s ILE 23 N 0.40 3.84 -0.15 1.82 1.01 0.01 -1.03 121.20 127.11 3go8 s ILE 23 Ca -0.03 1.17 0.16 0.00 0.00 0.00 0.00 60.65 61.95 3go8 s ILE 23 Cb -0.14 -3.75 -0.23 0.00 0.01 0.00 0.00 42.46 38.35 3go8 s ILE 23 CO 0.02 -0.03 0.12 1.21 0.00 0.00 0.00 174.94 176.27 3go8 n GLU 24 N 5.69 1.05 -3.57 2.79 2.13 0.27 -0.54 120.64 128.46 3go8 n GLU 24 Ca 0.13 -0.04 -0.13 0.00 0.66 0.00 0.00 57.16 57.79 3go8 n GLU 24 Cb 0.44 -1.45 -0.05 0.00 0.27 0.00 0.00 31.44 30.66 3go8 n GLU 24 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3go8 s ASP 25 N -4.97 -0.40 -0.07 4.31 3.68 -1.01 -4.83 116.67 113.38 3go8 s ASP 25 Ca -0.08 0.01 -0.00 0.00 2.13 0.00 0.00 52.55 54.61 3go8 s ASP 25 Cb 0.06 0.50 0.02 0.00 -1.45 0.00 0.00 42.92 42.06 3go8 s ASP 25 CO 0.73 -0.79 -0.03 -0.69 0.13 0.00 0.00 175.17 174.51 3go8 s VAL 26 N -3.01 0.55 -0.13 1.11 1.01 -1.26 -0.72 120.40 117.95 3go8 s VAL 26 Ca -0.02 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.93 3go8 s VAL 26 Cb -0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 3go8 s VAL 26 CO -0.06 0.26 -0.17 -0.13 0.00 0.00 0.00 175.10 175.00 3go8 s ARG 27 N 1.49 3.24 -0.15 2.72 0.52 0.05 -4.86 118.95 121.96 3go8 s ARG 27 Ca -0.02 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 3go8 s ARG 27 Cb -0.13 -2.53 0.02 0.00 0.52 0.00 0.00 34.95 32.83 3go8 s ARG 27 CO -0.03 0.15 -0.14 0.42 0.02 0.00 0.00 175.30 175.72 3go8 s ILE 28 N 0.46 1.59 -0.51 1.52 1.01 -1.26 -0.82 121.20 123.19 3go8 s ILE 28 Ca -0.12 -0.64 0.15 0.00 0.00 0.00 0.00 60.65 60.03 3go8 s ILE 28 Cb -0.16 -1.48 -0.18 0.00 0.01 0.00 0.00 42.46 40.64 3go8 s ILE 28 CO 0.05 0.46 0.54 0.49 0.00 0.00 0.00 174.94 176.49 3go8 n PHE 29 N 4.74 0.00 -3.46 3.97 3.72 0.91 -4.71 117.46 122.63 3go8 n PHE 29 Ca -0.17 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 56.95 3go8 n PHE 29 Cb 0.50 -0.10 -0.12 0.00 -0.94 0.00 0.00 39.48 38.83 3go8 n PHE 29 CO 0.00 0.00 0.00 -0.46 -0.05 0.00 0.00 176.76 176.25 3go8 s TRP 30 N -2.57 0.52 0.63 1.38 -0.11 -1.17 -5.02 118.94 112.59 3go8 s TRP 30 Ca 0.02 -1.42 0.36 0.00 1.22 0.00 0.00 56.10 56.29 3go8 s TRP 30 Cb 0.11 -0.84 2.09 0.00 -1.50 0.00 0.00 33.47 33.34 3go8 s TRP 30 CO 0.61 -0.85 2.30 -1.00 -4.62 0.00 0.00 176.95 173.40 3go8 h PRO 31 N 7.19 0.00 0.00 5.86 0.13 -1.89 -2.89 132.00 140.41 3go8 h PRO 31 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3go8 h PRO 31 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3go8 h PRO 31 CO 0.27 0.00 0.00 -0.91 -0.23 0.00 0.00 178.00 177.13 3go8 h ASN 32 N 0.00 0.00 -0.66 1.44 2.35 -1.98 -1.21 115.58 115.52 3go8 h ASN 32 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3go8 h ASN 32 Cb 0.03 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 3go8 h ASN 32 CO -0.00 0.00 0.40 0.40 -1.65 0.00 0.00 177.43 176.57 3go8 h ILE 33 N 0.00 1.19 -3.22 2.81 1.08 -1.77 -3.41 117.51 114.18 3go8 h ILE 33 Ca 0.00 -0.43 -0.57 0.00 -0.39 0.00 0.00 64.86 63.47 3go8 h ILE 33 Cb 0.15 0.26 -0.06 0.00 -3.07 0.00 0.00 36.82 34.10 3go8 h ILE 33 CO 0.00 0.20 0.88 -0.63 -0.69 0.00 0.00 178.15 177.91 3go8 s ILE 34 N -5.68 4.40 -0.12 -0.67 -1.09 -0.46 -1.39 121.20 116.19 3go8 s ILE 34 Ca -0.10 1.62 0.13 0.00 -2.23 0.00 0.00 60.65 60.06 3go8 s ILE 34 Cb 0.17 -4.31 -0.18 0.00 -1.58 0.00 0.00 42.46 36.56 3go8 s ILE 34 CO 0.78 -0.44 0.09 0.54 -1.23 0.00 0.00 174.94 174.68 3go8 n ARG 35 N 6.94 1.54 -3.72 2.79 5.12 0.59 -4.88 116.66 125.04 3go8 n ARG 35 Ca 0.13 -0.03 -0.12 0.00 -1.93 0.00 0.00 57.85 55.90 3go8 n ARG 35 Cb 0.47 -1.36 -0.11 0.00 -1.16 0.00 0.00 32.46 30.30 3go8 n ARG 35 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3go8 s HIS 36 N -2.44 -0.47 0.93 -1.55 2.46 -1.20 -4.21 115.29 108.80 3go8 s HIS 36 Ca -0.07 1.08 -0.12 0.00 0.47 0.00 0.00 55.06 56.43 3go8 s HIS 36 Cb 0.05 0.18 0.06 0.00 -0.13 0.00 0.00 32.58 32.74 3go8 s HIS 36 CO 0.58 -0.26 0.64 -2.30 -2.47 0.00 0.00 174.74 170.93 3go8 n PRO 37 N 3.60 -0.29 0.03 2.88 -0.02 -1.26 -0.41 135.00 139.53 3go8 n PRO 37 Ca -0.19 -0.03 -0.01 0.00 -2.02 0.00 0.00 63.50 61.25 3go8 n PRO 37 Cb 0.56 -2.02 0.27 0.00 -0.02 0.00 0.00 33.50 32.29 3go8 n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3go8 h ARG 38 N -1.57 0.45 -5.81 -0.52 -0.00 -1.90 -3.40 114.38 101.62 3go8 h ARG 38 Ca -0.43 -0.13 -0.60 0.00 -0.50 0.00 0.00 59.98 58.32 3go8 h ARG 38 Cb 1.28 -0.05 -0.09 0.00 0.00 0.00 0.00 29.97 31.11 3go8 h ARG 38 CO 0.37 0.59 0.45 0.34 0.00 0.00 0.00 179.97 181.72 3go8 s ASP 39 N -6.79 6.74 0.55 7.04 -1.08 -1.26 -4.89 116.67 116.98 3go8 s ASP 39 Ca -0.07 0.82 0.30 0.00 -0.52 0.00 0.00 52.55 53.09 3go8 s ASP 39 Cb 0.15 -2.43 1.63 0.00 -1.46 0.00 0.00 42.92 40.82 3go8 s ASP 39 CO 0.77 -0.60 2.14 0.77 0.52 0.00 0.00 175.17 178.77 3go8 h SER 40 N 7.96 0.00 -0.14 -0.34 4.64 -1.88 -1.57 113.55 122.22 3go8 h SER 40 Ca -0.24 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.99 3go8 h SER 40 Cb 1.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 3go8 h SER 40 CO 0.89 0.07 -0.21 -0.33 -0.87 0.00 0.00 176.83 176.38 3go8 h GLU 41 N 0.00 0.57 -0.23 4.77 5.08 -1.94 -1.22 114.58 121.59 3go8 h GLU 41 Ca -0.00 -0.21 -0.20 0.00 -1.00 0.00 0.00 59.36 57.95 3go8 h GLU 41 Cb 0.25 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3go8 h GLU 41 CO 0.01 0.74 -0.63 0.00 -1.00 0.00 0.00 179.01 178.13 3go8 h ALA 42 N 1.27 0.39 -0.09 3.43 0.00 -1.69 -1.47 119.26 121.10 3go8 h ALA 42 Ca 0.08 -0.55 0.04 0.00 0.00 0.00 0.00 54.91 54.48 3go8 h ALA 42 Cb 0.65 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 3go8 h ALA 42 CO 0.05 0.67 -0.20 0.35 0.00 0.00 0.00 179.25 180.12 3go8 h PHE 43 N 0.61 -0.52 -0.30 0.00 3.57 -1.24 -1.43 116.94 117.63 3go8 h PHE 43 Ca -0.01 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 3go8 h PHE 43 Cb 1.25 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 40.22 3go8 h PHE 43 CO 0.08 -0.28 0.12 0.00 -2.23 0.00 0.00 178.31 176.00 3go8 h ALA 44 N 0.70 0.38 -0.77 2.41 0.00 -1.21 -3.18 119.26 117.61 3go8 h ALA 44 Ca 0.09 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3go8 h ALA 44 Cb 0.39 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3go8 h ALA 44 CO -0.25 -0.01 0.48 0.00 0.00 0.00 0.00 179.25 179.47 3go8 h ALA 45 N 0.96 1.01 0.00 0.00 0.00 -1.09 -2.80 119.26 117.34 3go8 h ALA 45 Ca 0.10 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3go8 h ALA 45 Cb 0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3go8 h ALA 45 CO -0.01 0.28 -0.44 0.07 0.00 0.00 0.00 179.25 179.15 3go8 h ARG 46 N 0.94 0.00 0.00 0.00 0.11 -1.25 -3.00 114.38 111.18 3go8 h ARG 46 Ca 0.31 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.30 3go8 h ARG 46 Cb 0.03 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.10 3go8 h ARG 46 CO -0.12 0.44 -0.42 0.52 0.10 0.00 0.00 179.97 180.50 3go8 h MET 47 N 0.00 0.00 -6.68 0.08 2.86 -1.48 -3.45 114.93 106.26 3go8 h MET 47 Ca -0.00 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.11 3go8 h MET 47 Cb 0.95 0.00 0.06 0.00 0.06 0.00 0.00 31.60 32.67 3go8 h MET 47 CO 0.06 0.42 0.99 0.42 1.06 0.00 0.00 176.91 179.85 3go8 s ILE 48 N -3.04 2.06 0.00 -1.22 1.01 -1.14 -2.07 121.20 116.80 3go8 s ILE 48 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.73 3go8 s ILE 48 Cb 0.07 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.52 3go8 s ILE 48 CO 0.73 0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.28 3go8 n GLY 49 N 3.72 1.62 3.81 6.18 0.00 0.29 -5.02 105.19 115.80 3go8 n GLY 49 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3go8 n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3go8 s GLN 50 N -0.62 4.29 -0.11 1.61 -0.21 -0.88 -4.77 119.66 118.98 3go8 s GLN 50 Ca 0.00 0.94 -0.07 0.00 0.02 0.00 0.00 55.36 56.25 3go8 s GLN 50 Cb 0.00 -2.83 -0.04 0.00 1.00 0.00 0.00 33.01 31.14 3go8 s GLN 50 CO 0.00 0.35 0.14 0.99 -2.12 0.00 0.00 175.29 174.66 3go8 s THR 51 N -1.58 5.50 -0.01 -0.19 2.01 -1.26 -0.80 115.64 119.30 3go8 s THR 51 Ca 0.45 0.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.33 3go8 s THR 51 Cb -0.16 -3.41 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 3go8 s THR 51 CO 0.21 0.59 1.38 -0.69 -0.69 0.00 0.00 174.62 175.42 3go8 s VAL 52 N -1.06 3.80 -0.06 3.82 1.01 -0.05 -2.54 120.40 125.33 3go8 s VAL 52 Ca 0.16 1.16 0.07 0.00 0.00 0.00 0.00 61.98 63.37 3go8 s VAL 52 Cb -0.12 -3.75 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 3go8 s VAL 52 CO 0.05 -0.01 0.06 0.54 0.00 0.00 0.00 175.10 175.74 3go8 n ARG 53 N 5.44 2.28 -3.77 2.72 5.12 0.90 -0.16 116.66 129.19 3go8 n ARG 53 Ca 0.13 -0.02 -0.05 0.00 -1.93 0.00 0.00 57.85 55.98 3go8 n ARG 53 Cb 0.44 -1.18 -0.02 0.00 -1.16 0.00 0.00 32.46 30.54 3go8 n ARG 53 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3go8 s GLY 54 N -3.67 -0.20 -0.20 -0.13 0.00 -0.87 -4.88 107.32 97.36 3go8 s GLY 54 Ca -0.03 0.01 -0.05 0.00 0.00 0.00 0.00 44.72 44.65 3go8 s GLY 54 CO 0.30 -0.01 0.37 -2.27 0.00 0.00 0.00 173.10 171.48 3go8 s LEU 55 N -2.90 -0.55 0.35 0.66 2.96 -1.26 -1.10 118.68 116.84 3go8 s LEU 55 Ca 0.11 0.64 0.09 0.00 -0.22 0.00 0.00 54.13 54.75 3go8 s LEU 55 Cb -0.03 1.10 -0.07 0.00 0.50 0.00 0.00 46.19 47.70 3go8 s LEU 55 CO 0.03 -0.26 -0.07 -1.61 -1.32 0.00 0.00 176.35 173.12 3go8 s GLU 56 N 2.54 1.82 -0.02 1.98 2.02 -0.27 -4.93 118.70 121.83 3go8 s GLU 56 Ca 0.03 -1.95 0.05 0.00 0.02 0.00 0.00 54.97 53.12 3go8 s GLU 56 Cb -0.13 -1.64 -0.01 0.00 0.10 0.00 0.00 34.13 32.45 3go8 s GLU 56 CO -0.13 0.10 -0.17 0.50 0.02 0.00 0.00 175.26 175.58 3go8 s ARG 57 N -3.64 1.52 -0.17 1.61 3.52 -1.26 -0.55 118.95 119.98 3go8 s ARG 57 Ca 0.33 -0.61 -0.02 0.00 -0.13 0.00 0.00 55.73 55.30 3go8 s ARG 57 Cb 0.04 -1.41 0.05 0.00 -1.56 0.00 0.00 34.95 32.07 3go8 s ARG 57 CO 0.16 0.32 0.01 1.03 -0.81 0.00 0.00 175.30 176.02 3go8 s ARG 58 N -0.24 0.80 7.50 5.12 1.81 -0.22 -4.98 118.95 128.74 3go8 s ARG 58 Ca 0.03 -0.39 0.00 0.00 -1.72 0.00 0.00 55.73 53.65 3go8 s ARG 58 Cb -0.08 -1.95 0.00 0.00 -0.45 0.00 0.00 34.95 32.47 3go8 s ARG 58 CO 0.00 -0.56 0.00 0.41 -0.68 0.00 0.00 175.30 174.47 3go8 n GLY 59 N 5.02 3.85 1.02 -3.53 0.00 -1.26 -0.64 105.19 109.65 3go8 n GLY 59 Ca -0.09 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.06 3go8 n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3go8 n LYS 60 N 14.00 2.32 -2.97 1.61 5.02 -1.26 -4.85 118.16 132.02 3go8 n LYS 60 Ca 0.00 -2.00 -0.40 0.00 -2.02 0.00 0.00 58.31 53.89 3go8 n LYS 60 Cb 0.00 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.48 3go8 n LYS 60 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3go8 s PHE 61 N -1.50 3.84 -0.15 2.13 0.40 0.19 -4.62 117.98 118.27 3go8 s PHE 61 Ca 0.38 1.58 -0.10 0.00 -0.60 0.00 0.00 56.93 58.19 3go8 s PHE 61 Cb 0.21 -2.80 -0.05 0.00 0.51 0.00 0.00 43.02 40.89 3go8 s PHE 61 CO 0.30 0.41 0.19 -0.51 0.70 0.00 0.00 175.22 176.30 3go8 s LEU 62 N -0.66 4.30 -0.37 -0.37 1.43 -0.07 -1.06 118.68 121.87 3go8 s LEU 62 Ca 0.37 0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 53.88 3go8 s LEU 62 Cb -0.22 -2.17 0.09 0.00 0.03 0.00 0.00 46.19 43.92 3go8 s LEU 62 CO 0.25 0.26 0.14 -0.75 0.23 0.00 0.00 176.35 176.48 3go8 s LYS 63 N -0.23 2.06 -0.20 1.70 2.20 0.28 -0.62 119.74 124.92 3go8 s LYS 63 Ca 0.13 -1.68 -0.28 0.00 -0.36 0.00 0.00 55.97 53.78 3go8 s LYS 63 Cb -0.12 -3.45 -0.00 0.00 -1.51 0.00 0.00 37.83 32.75 3go8 s LYS 63 CO 0.02 -0.94 0.97 -0.06 -0.36 0.00 0.00 175.35 174.98 3go8 s PHE 64 N 1.15 3.38 -0.23 4.03 0.08 0.55 -1.12 117.98 125.81 3go8 s PHE 64 Ca 0.05 1.41 -0.15 0.00 0.12 0.00 0.00 56.93 58.36 3go8 s PHE 64 Cb -0.22 -3.18 -0.04 0.00 -0.57 0.00 0.00 43.02 39.02 3go8 s PHE 64 CO -0.04 -0.38 0.37 -0.51 -0.10 0.00 0.00 175.22 174.56 3go8 s LEU 65 N 2.76 4.10 0.00 -0.37 1.43 -0.26 -0.59 118.68 125.76 3go8 s LEU 65 Ca 0.42 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 3go8 s LEU 65 Cb -0.16 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.61 3go8 s LEU 65 CO 0.09 -0.11 0.00 0.18 0.23 0.00 0.00 176.35 176.74 3go8 n LEU 66 N 4.82 0.00 0.37 1.79 4.77 0.08 -0.07 117.00 128.76 3go8 n LEU 66 Ca -0.09 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.74 3go8 n LEU 66 Cb 0.51 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 3go8 n LEU 66 CO 0.38 0.00 0.40 0.44 -1.33 0.00 0.00 177.39 177.29 3go8 h ASP 67 N 0.00 -0.82 0.00 -1.43 3.45 -1.84 -3.41 116.42 112.37 3go8 h ASP 67 Ca 0.00 0.02 -0.27 0.00 0.43 0.00 0.00 57.03 57.21 3go8 h ASP 67 Cb 0.00 0.21 -0.05 0.00 -0.56 0.00 0.00 39.33 38.93 3go8 h ASP 67 CO 0.00 -0.45 -2.02 -1.14 -1.57 0.00 0.00 179.24 174.07 3go8 n ARG 68 N -5.42 1.22 -4.18 3.56 0.63 -1.26 -5.01 116.66 106.21 3go8 n ARG 68 Ca -0.12 0.03 -0.23 0.00 -0.92 0.00 0.00 57.85 56.61 3go8 n ARG 68 Cb 0.39 -1.37 -0.06 0.00 0.45 0.00 0.00 32.46 31.87 3go8 n ARG 68 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3go8 s ASP 69 N -5.14 5.13 -0.09 6.15 -0.00 -1.26 -0.96 116.67 120.50 3go8 s ASP 69 Ca -0.13 -0.37 0.00 0.00 -0.00 0.00 0.00 52.55 52.05 3go8 s ASP 69 Cb 0.05 -1.19 -0.03 0.00 -0.00 0.00 0.00 42.92 41.75 3go8 s ASP 69 CO 0.54 0.01 -0.08 0.00 -0.00 0.00 0.00 175.17 175.63 3go8 s ALA 70 N -2.07 2.88 -0.25 5.23 0.00 0.27 -0.74 121.76 127.08 3go8 s ALA 70 Ca 0.31 -0.89 -0.09 0.00 0.00 0.00 0.00 51.96 51.30 3go8 s ALA 70 Cb -0.08 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 3go8 s ALA 70 CO 0.22 0.46 0.11 -1.17 0.00 0.00 0.00 175.76 175.39 3go8 s LEU 71 N -0.43 3.69 -0.27 0.00 2.96 0.24 -2.25 118.68 122.62 3go8 s LEU 71 Ca 0.06 -0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 53.79 3go8 s LEU 71 Cb -0.12 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 3go8 s LEU 71 CO 0.02 -0.02 0.09 -0.63 -1.32 0.00 0.00 176.35 174.49 3go8 s ILE 72 N 1.53 4.34 -0.03 6.68 -1.09 0.86 -0.33 121.20 133.15 3go8 s ILE 72 Ca 0.06 -0.28 0.06 0.00 -2.23 0.00 0.00 60.65 58.27 3go8 s ILE 72 Cb -0.15 -3.09 -0.01 0.00 -1.58 0.00 0.00 42.46 37.63 3go8 s ILE 72 CO 0.06 0.26 -0.22 -0.55 -1.23 0.00 0.00 174.94 173.25 3go8 s SER 73 N 1.60 2.67 -0.10 3.58 0.15 0.21 -1.12 113.70 120.69 3go8 s SER 73 Ca 0.06 -0.43 0.02 0.00 0.70 0.00 0.00 55.95 56.30 3go8 s SER 73 Cb -0.16 -0.51 0.01 0.00 -1.71 0.00 0.00 66.02 63.66 3go8 s SER 73 CO 0.04 0.24 -0.15 -2.28 1.20 0.00 0.00 173.24 172.29 3go8 s HIS 74 N -0.32 1.91 -1.23 3.44 2.46 -0.46 -0.90 115.29 120.21 3go8 s HIS 74 Ca 0.03 -0.84 0.26 0.00 0.47 0.00 0.00 55.06 54.98 3go8 s HIS 74 Cb -0.11 -1.37 0.74 0.00 -0.13 0.00 0.00 32.58 31.72 3go8 s HIS 74 CO 0.01 -0.42 1.57 1.28 -2.47 0.00 0.00 174.74 174.71 3go8 n LEU 75 N 4.04 0.53 0.00 8.88 4.77 -1.26 -1.46 117.00 132.50 3go8 n LEU 75 Ca -0.20 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3go8 n LEU 75 Cb 0.52 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3go8 n LEU 75 CO 0.25 0.12 0.00 0.54 -1.33 0.00 0.00 177.39 176.96 3go8 n ARG 76 N -1.27 0.00 0.07 3.23 5.12 -1.26 -1.07 116.66 121.49 3go8 n ARG 76 Ca 0.08 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.93 3go8 n ARG 76 Cb 0.33 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.55 3go8 n ARG 76 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 3go8 h MET 77 N 0.00 0.02 0.00 5.56 2.86 -1.96 -2.42 114.93 118.99 3go8 h MET 77 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3go8 h MET 77 Cb 0.00 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3go8 h MET 77 CO 0.00 0.97 0.00 0.39 1.06 0.00 0.00 176.91 179.33 3go8 n GLU 78 N -3.42 1.30 -1.94 1.72 1.02 -1.21 -2.36 120.64 115.75 3go8 n GLU 78 Ca -0.01 -0.21 -0.38 0.00 -0.02 0.00 0.00 57.16 56.54 3go8 n GLU 78 Cb 0.90 -0.65 0.02 0.00 -0.02 0.00 0.00 31.44 31.70 3go8 n GLU 78 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3go8 s GLY 79 N -0.25 2.86 -0.03 0.62 0.00 -0.23 -4.54 107.32 105.75 3go8 s GLY 79 Ca 0.00 1.22 -0.10 0.00 0.00 0.00 0.00 44.72 45.84 3go8 s GLY 79 CO 0.00 1.72 0.21 0.50 0.00 0.00 0.00 173.10 175.54 3go8 s ARG 80 N -2.79 0.48 0.03 2.90 3.00 0.47 -4.68 118.95 118.36 3go8 s ARG 80 Ca 0.68 -0.15 0.03 0.00 0.00 0.00 0.00 55.73 56.29 3go8 s ARG 80 Cb -0.37 0.21 -0.04 0.00 0.00 0.00 0.00 34.95 34.75 3go8 s ARG 80 CO 0.44 -0.11 -0.03 0.71 0.00 0.00 0.00 175.30 176.31 3go8 s TYR 81 N -0.97 2.96 -0.05 -0.53 1.51 -1.26 -1.22 117.35 117.79 3go8 s TYR 81 Ca -0.11 -0.01 -0.09 0.00 -1.01 0.00 0.00 57.07 55.86 3go8 s TYR 81 Cb -0.05 -1.60 0.02 0.00 -0.11 0.00 0.00 41.96 40.22 3go8 s TYR 81 CO 0.02 0.43 0.22 0.00 -1.11 0.00 0.00 175.55 175.11 3go8 s ALA 82 N -1.12 -0.53 -0.19 3.71 0.00 -0.58 -4.97 121.76 118.07 3go8 s ALA 82 Ca 0.20 0.37 -0.06 0.00 0.00 0.00 0.00 51.96 52.48 3go8 s ALA 82 Cb -0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 3go8 s ALA 82 CO 0.11 -0.16 0.02 0.08 0.00 0.00 0.00 175.76 175.81 3go8 s VAL 83 N -0.53 4.18 0.29 0.00 1.01 -1.26 -0.26 120.40 123.82 3go8 s VAL 83 Ca -0.06 -0.24 -0.14 0.00 0.00 0.00 0.00 61.98 61.54 3go8 s VAL 83 Cb -0.04 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.47 3go8 s VAL 83 CO 0.01 0.44 0.58 0.00 0.00 0.00 0.00 175.10 176.12 3go8 s ALA 84 N 0.81 -0.38 0.26 5.51 0.00 -0.70 -4.95 121.76 122.31 3go8 s ALA 84 Ca 0.01 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 50.85 3go8 s ALA 84 Cb -0.14 0.98 -0.09 0.00 0.00 0.00 0.00 23.12 23.86 3go8 s ALA 84 CO 0.02 -0.91 1.14 0.45 0.00 0.00 0.00 175.76 176.46 3go8 s SER 85 N -3.04 7.19 0.13 0.00 0.15 -1.26 -0.24 113.70 116.62 3go8 s SER 85 Ca 0.20 2.29 0.13 0.00 0.70 0.00 0.00 55.95 59.27 3go8 s SER 85 Cb -0.02 -2.62 0.61 0.00 -1.71 0.00 0.00 66.02 62.27 3go8 s SER 85 CO 0.11 -0.22 1.40 0.00 1.20 0.00 0.00 173.24 175.72 3go8 n ALA 86 N 1.46 1.29 0.70 5.45 0.00 -0.04 -2.66 120.51 126.71 3go8 n ALA 86 Ca 0.00 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.62 3go8 n ALA 86 Cb 0.45 -1.20 0.35 0.00 0.00 0.00 0.00 19.45 19.04 3go8 n ALA 86 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3go8 n LEU 87 N -1.82 0.63 -4.88 0.00 4.77 -1.26 -4.90 117.00 109.54 3go8 n LEU 87 Ca 0.01 0.41 -0.31 0.00 -0.03 0.00 0.00 56.01 56.08 3go8 n LEU 87 Cb 0.09 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 40.83 3go8 n LEU 87 CO 0.09 -0.09 -0.18 -1.61 -1.33 0.00 0.00 177.39 174.27 3go8 s GLU 88 N -3.10 3.30 0.47 3.23 0.41 -1.09 -5.06 118.70 116.86 3go8 s GLU 88 Ca 0.10 -0.47 -0.24 0.00 -0.41 0.00 0.00 54.97 53.94 3go8 s GLU 88 Cb 0.14 -2.97 -0.08 0.00 -1.78 0.00 0.00 34.13 29.44 3go8 s GLU 88 CO 0.63 0.62 1.38 -2.30 -0.49 0.00 0.00 175.26 175.10 3go8 n PRO 89 N 0.51 2.05 -2.33 0.39 -0.02 -1.26 -4.96 135.00 129.37 3go8 n PRO 89 Ca -0.07 0.74 -0.36 0.00 -2.02 0.00 0.00 63.50 61.78 3go8 n PRO 89 Cb 0.52 -2.56 -0.01 0.00 -0.02 0.00 0.00 33.50 31.42 3go8 n PRO 89 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3go8 s LEU 90 N -2.61 3.97 0.69 2.45 1.43 -1.26 -5.03 118.68 118.32 3go8 s LEU 90 Ca 0.63 2.21 -0.12 0.00 -1.03 0.00 0.00 54.13 55.82 3go8 s LEU 90 Cb -0.45 -4.32 0.01 0.00 0.03 0.00 0.00 46.19 41.45 3go8 s LEU 90 CO 0.56 -0.89 1.08 -1.61 0.23 0.00 0.00 176.35 175.71 3go8 s GLU 91 N -2.82 2.77 0.64 1.70 8.01 -1.26 -5.01 118.70 122.73 3go8 s GLU 91 Ca 0.65 1.15 -0.18 0.00 0.01 0.00 0.00 54.97 56.59 3go8 s GLU 91 Cb -0.26 -1.96 -0.01 0.00 -4.31 0.00 0.00 34.13 27.59 3go8 s GLU 91 CO 0.31 -1.24 1.27 -2.30 0.01 0.00 0.00 175.26 173.30 3go8 n PRO 92 N -2.91 1.11 -2.26 0.39 -0.02 -1.26 -3.36 135.00 126.68 3go8 n PRO 92 Ca 0.09 0.43 -0.14 0.00 -2.02 0.00 0.00 63.50 61.86 3go8 n PRO 92 Cb 0.53 -2.50 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 3go8 n PRO 92 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3go8 n HIS 93 N -1.89 -0.65 -2.89 6.00 8.25 -1.26 -4.79 115.22 117.99 3go8 n HIS 93 Ca 0.16 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.20 3go8 n HIS 93 Cb 0.48 -2.97 -0.04 0.00 1.12 0.00 0.00 29.99 28.58 3go8 n HIS 93 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3go8 s THR 94 N -2.69 4.83 -0.11 1.59 2.01 -1.21 -1.49 115.64 118.57 3go8 s THR 94 Ca 0.00 1.54 0.13 0.00 0.31 0.00 0.00 61.69 63.67 3go8 s THR 94 Cb 0.00 -4.12 -0.18 0.00 0.01 0.00 0.00 72.50 68.21 3go8 s THR 94 CO 0.00 -0.09 0.11 1.41 -0.69 0.00 0.00 174.62 175.36 3go8 n HIS 95 N 6.03 0.00 -3.76 4.92 8.25 -0.01 -4.76 115.22 125.90 3go8 n HIS 95 Ca 0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.39 3go8 n HIS 95 Cb 0.48 -0.58 -0.13 0.00 1.12 0.00 0.00 29.99 30.87 3go8 n HIS 95 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3go8 s VAL 96 N -2.50 -0.03 -0.07 1.59 1.01 -1.19 -0.06 120.40 119.15 3go8 s VAL 96 Ca -0.06 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.05 3go8 s VAL 96 Cb 0.05 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 36.14 3go8 s VAL 96 CO 0.57 0.05 -0.11 -0.69 0.00 0.00 0.00 175.10 174.91 3go8 s VAL 97 N 0.89 1.10 -0.32 2.92 1.01 0.00 -0.36 120.40 125.64 3go8 s VAL 97 Ca -0.07 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 3go8 s VAL 97 Cb -0.08 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 3go8 s VAL 97 CO -0.05 0.35 0.20 -0.36 0.00 0.00 0.00 175.10 175.24 3go8 s PHE 98 N 0.88 3.21 -0.22 5.22 0.08 0.33 -0.77 117.98 126.71 3go8 s PHE 98 Ca -0.11 -0.31 -0.17 0.00 0.12 0.00 0.00 56.93 56.47 3go8 s PHE 98 Cb -0.15 -2.42 -0.03 0.00 -0.57 0.00 0.00 43.02 39.84 3go8 s PHE 98 CO 0.01 -0.37 0.45 0.00 -0.10 0.00 0.00 175.22 175.21 3go8 s PHE 100 N 1.65 3.49 -0.30 0.00 0.08 -0.02 0.93 117.98 123.81 3go8 s PHE 100 Ca 0.20 0.28 0.23 0.00 0.12 0.00 0.00 56.93 57.76 3go8 s PHE 100 Cb -0.15 -1.83 1.10 0.00 -0.57 0.00 0.00 43.02 41.57 3go8 s PHE 100 CO 0.09 0.24 1.69 0.25 -0.10 0.00 0.00 175.22 177.38 3go8 n THR 101 N -1.46 0.95 0.46 0.64 -2.24 -0.20 -2.04 114.28 110.40 3go8 n THR 101 Ca -0.06 0.53 0.07 0.00 -2.27 0.00 0.00 64.05 62.33 3go8 n THR 101 Cb 0.56 -1.51 0.21 0.00 -2.10 0.00 0.00 70.33 67.49 3go8 n THR 101 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3go8 n ASP 102 N -2.26 2.60 0.00 3.42 5.75 -1.26 -4.91 116.55 119.88 3go8 n ASP 102 Ca -0.00 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 3go8 n ASP 102 Cb 0.11 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 3go8 n ASP 102 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3go8 n GLY 103 N 1.21 0.79 3.98 6.12 0.00 -0.87 -5.04 105.19 111.39 3go8 n GLY 103 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 3go8 n GLY 103 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3go8 s SER 104 N -2.64 5.98 0.02 1.61 1.04 -1.26 -0.86 113.70 117.59 3go8 s SER 104 Ca 0.00 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.34 3go8 s SER 104 Cb 0.00 -1.33 -0.01 0.00 0.10 0.00 0.00 66.02 64.78 3go8 s SER 104 CO 0.00 -0.44 -0.04 -1.61 0.98 0.00 0.00 173.24 172.13 3go8 s GLU 105 N -4.21 0.32 -0.29 4.02 2.02 0.66 -0.84 118.70 120.38 3go8 s GLU 105 Ca 0.44 -0.41 -0.11 0.00 0.02 0.00 0.00 54.97 54.92 3go8 s GLU 105 Cb -0.10 -0.14 -0.04 0.00 0.10 0.00 0.00 34.13 33.96 3go8 s GLU 105 CO 0.32 0.02 0.20 -1.17 0.02 0.00 0.00 175.26 174.65 3go8 s LEU 106 N -0.84 4.10 -0.11 1.80 2.96 0.32 -1.73 118.68 125.19 3go8 s LEU 106 Ca -0.07 -0.10 -0.00 0.00 -0.22 0.00 0.00 54.13 53.74 3go8 s LEU 106 Cb -0.06 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 3go8 s LEU 106 CO -0.00 -0.09 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.72 3go8 s ARG 107 N 1.75 3.17 -0.24 1.98 0.52 0.64 -0.52 118.95 126.25 3go8 s ARG 107 Ca 0.07 -0.61 -0.08 0.00 -0.52 0.00 0.00 55.73 54.59 3go8 s ARG 107 Cb -0.16 -2.65 -0.03 0.00 0.52 0.00 0.00 34.95 32.62 3go8 s ARG 107 CO 0.11 0.39 0.08 -0.47 0.02 0.00 0.00 175.30 175.43 3go8 s TYR 108 N -0.09 3.14 0.07 -0.53 6.14 0.52 -1.53 117.35 125.06 3go8 s TYR 108 Ca -0.00 -0.24 0.10 0.00 0.64 0.00 0.00 57.07 57.57 3go8 s TYR 108 Cb -0.13 -2.22 -0.03 0.00 0.42 0.00 0.00 41.96 39.99 3go8 s TYR 108 CO 0.03 -0.22 -0.26 1.03 0.64 0.00 0.00 175.55 176.77 3go8 s ARG 109 N 1.36 1.70 -0.29 4.97 0.52 -0.36 -0.83 118.95 126.02 3go8 s ARG 109 Ca 0.05 -1.16 -0.03 0.00 -0.52 0.00 0.00 55.73 54.07 3go8 s ARG 109 Cb -0.15 -1.95 0.19 0.00 0.52 0.00 0.00 34.95 33.57 3go8 s ARG 109 CO 0.04 0.49 0.80 0.34 0.02 0.00 0.00 175.30 177.00 3go8 s ASP 110 N -1.43 -1.05 0.52 0.23 2.15 -0.56 -0.40 116.67 116.14 3go8 s ASP 110 Ca 0.12 0.24 0.29 0.00 0.43 0.00 0.00 52.55 53.63 3go8 s ASP 110 Cb -0.10 1.72 1.42 0.00 -0.30 0.00 0.00 42.92 45.66 3go8 s ASP 110 CO 0.03 -0.19 1.91 1.62 -0.17 0.00 0.00 175.17 178.37 3go8 h VAL 111 N 5.42 0.61 0.00 1.11 3.04 -1.80 -0.89 116.25 123.73 3go8 h VAL 111 Ca -0.08 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 3go8 h VAL 111 Cb 1.18 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 3go8 h VAL 111 CO 0.05 0.01 -0.74 -1.14 -1.01 0.00 0.00 177.57 174.74 3go8 n ARG 112 N -4.32 0.11 -3.85 4.17 3.00 -1.26 -4.96 116.66 109.55 3go8 n ARG 112 Ca 0.16 0.01 -0.26 0.00 -0.00 0.00 0.00 57.85 57.76 3go8 n ARG 112 Cb 0.85 -1.54 0.02 0.00 0.00 0.00 0.00 32.46 31.78 3go8 n ARG 112 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3go8 n LYS 113 N -1.69 -4.79 -0.00 -0.14 4.81 -0.34 -4.87 118.16 111.14 3go8 n LYS 113 Ca 0.04 0.56 0.02 0.00 -0.87 0.00 0.00 58.31 58.06 3go8 n LYS 113 Cb 0.37 -5.19 -0.02 0.00 0.02 0.00 0.00 35.03 30.21 3go8 n LYS 113 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3go8 n PHE 114 N -4.46 0.00 -1.55 5.64 7.35 -1.26 -4.96 117.46 118.23 3go8 n PHE 114 Ca -0.15 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.25 3go8 n PHE 114 Cb 0.61 -0.00 0.14 0.00 0.35 0.00 0.00 39.48 40.58 3go8 n PHE 114 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3go8 s GLY 115 N -1.32 1.59 0.04 7.13 0.00 -1.26 -4.82 107.32 108.69 3go8 s GLY 115 Ca 0.01 -0.60 0.02 0.00 0.00 0.00 0.00 44.72 44.16 3go8 s GLY 115 CO 0.13 -0.01 -0.08 -0.51 0.00 0.00 0.00 173.10 172.64 3go8 s THR 116 N -3.31 0.55 -0.02 0.90 -4.23 -0.54 -4.65 115.64 104.34 3go8 s THR 116 Ca 0.65 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 60.06 3go8 s THR 116 Cb -0.14 -0.64 0.01 0.00 1.34 0.00 0.00 72.50 73.07 3go8 s THR 116 CO 0.53 -0.39 -0.03 -0.04 -0.54 0.00 0.00 174.62 174.14 3go8 s MET 117 N -1.64 0.49 -0.02 3.99 -1.94 -0.48 -1.35 119.30 118.34 3go8 s MET 117 Ca -0.09 -0.09 0.03 0.00 -1.71 0.00 0.00 55.69 53.83 3go8 s MET 117 Cb -0.10 -0.53 -0.00 0.00 2.01 0.00 0.00 34.83 36.21 3go8 s MET 117 CO 0.00 -0.01 -0.11 -1.01 -0.01 0.00 0.00 175.02 173.89 3go8 s HIS 118 N 0.46 1.07 -0.08 -0.03 3.76 -0.28 -0.30 115.29 119.89 3go8 s HIS 118 Ca -0.05 -0.25 0.04 0.00 -0.15 0.00 0.00 55.06 54.65 3go8 s HIS 118 Cb -0.08 -0.73 0.00 0.00 1.11 0.00 0.00 32.58 32.88 3go8 s HIS 118 CO -0.00 -0.08 -0.20 0.08 -0.85 0.00 0.00 174.74 173.69 3go8 s VAL 119 N 0.01 1.70 0.14 -0.90 1.01 0.46 -0.10 120.40 122.71 3go8 s VAL 119 Ca -0.00 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 3go8 s VAL 119 Cb -0.07 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 3go8 s VAL 119 CO 0.00 0.48 0.03 -0.31 0.00 0.00 0.00 175.10 175.31 3go8 s TYR 120 N 0.38 0.94 0.27 5.22 2.02 -0.95 -4.11 117.35 121.12 3go8 s TYR 120 Ca -0.15 -1.16 -0.29 0.00 -0.37 0.00 0.00 57.07 55.10 3go8 s TYR 120 Cb -0.16 -0.54 -0.14 0.00 -0.40 0.00 0.00 41.96 40.72 3go8 s TYR 120 CO 0.06 -0.42 1.17 0.00 -1.57 0.00 0.00 175.55 174.80 3go8 n ALA 121 N -0.12 0.30 -0.30 3.71 0.00 -1.26 -0.56 120.51 122.27 3go8 n ALA 121 Ca -0.06 0.40 0.11 0.00 0.00 0.00 0.00 53.44 53.88 3go8 n ALA 121 Cb 0.63 -2.12 0.27 0.00 0.00 0.00 0.00 19.45 18.23 3go8 n ALA 121 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3go8 h LYS 122 N 2.74 0.42 0.00 0.00 1.57 -1.30 -0.33 116.57 119.68 3go8 h LYS 122 Ca -0.43 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3go8 h LYS 122 Cb 1.32 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3go8 h LYS 122 CO 0.65 0.28 0.00 1.05 -0.57 0.00 0.00 179.45 180.86 3go8 h GLU 123 N 0.44 0.00 0.00 3.15 9.09 -1.89 -2.67 114.58 122.70 3go8 h GLU 123 Ca 0.52 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.76 3go8 h GLU 123 Cb 0.91 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.98 3go8 h GLU 123 CO -0.48 0.00 -1.47 0.39 0.05 0.00 0.00 179.01 177.50 3go8 n GLU 124 N -2.43 0.62 -0.30 1.06 1.02 -0.15 -4.64 120.64 115.82 3go8 n GLU 124 Ca 0.01 0.19 0.01 0.00 -0.02 0.00 0.00 57.16 57.35 3go8 n GLU 124 Cb 0.22 -1.78 0.15 0.00 -0.02 0.00 0.00 31.44 30.00 3go8 n GLU 124 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3go8 h ALA 125 N 1.46 1.17 0.00 0.62 0.00 -1.26 -1.17 119.26 120.07 3go8 h ALA 125 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3go8 h ALA 125 Cb 1.56 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3go8 h ALA 125 CO 0.04 0.23 0.00 -0.44 0.00 0.00 0.00 179.25 179.08 3go8 h ASP 126 N 0.93 0.00 -0.35 0.00 3.45 -1.82 -3.03 116.42 115.59 3go8 h ASP 126 Ca 0.38 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.84 3go8 h ASP 126 Cb 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 3go8 h ASP 126 CO -0.19 0.00 0.00 -2.11 -1.57 0.00 0.00 179.24 175.37 3go8 n ARG 127 N -2.46 2.98 -4.42 3.56 1.85 -0.45 -3.69 116.66 114.03 3go8 n ARG 127 Ca 0.02 -2.42 -0.21 0.00 -1.00 0.00 0.00 57.85 54.24 3go8 n ARG 127 Cb 0.25 -1.54 -0.10 0.00 -1.05 0.00 0.00 32.46 30.02 3go8 n ARG 127 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3go8 s ARG 128 N -1.73 1.52 0.61 2.89 1.81 -1.14 -4.77 118.95 118.13 3go8 s ARG 128 Ca 0.33 -1.77 -0.18 0.00 -1.72 0.00 0.00 55.73 52.39 3go8 s ARG 128 Cb 0.22 -1.07 -0.03 0.00 -0.45 0.00 0.00 34.95 33.62 3go8 s ARG 128 CO 0.14 0.01 1.16 -2.14 -0.68 0.00 0.00 175.30 173.79 3go8 s PRO 129 N -3.75 2.97 0.00 3.54 0.02 -1.26 -0.86 135.00 135.65 3go8 s PRO 129 Ca 0.29 1.65 0.20 0.00 0.02 0.00 0.00 61.00 63.17 3go8 s PRO 129 Cb 0.04 -1.95 0.56 0.00 0.02 0.00 0.00 34.50 33.18 3go8 s PRO 129 CO 0.12 -1.17 1.45 -0.35 -0.33 0.00 0.00 177.00 176.72 3go8 n PRO 130 N -1.80 2.07 0.05 5.54 -0.04 -1.26 -4.84 135.00 134.71 3go8 n PRO 130 Ca 0.12 -1.62 -0.04 0.00 -0.04 0.00 0.00 63.50 61.92 3go8 n PRO 130 Cb 0.51 -1.43 -0.09 0.00 -0.04 0.00 0.00 33.50 32.45 3go8 n PRO 130 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3go8 h LEU 131 N 3.06 0.00 -9.54 1.53 3.38 -1.63 -3.44 115.31 108.67 3go8 h LEU 131 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 3go8 h LEU 131 Cb 0.68 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.50 3go8 h LEU 131 CO 0.00 0.80 0.62 0.00 0.09 0.00 0.00 178.44 179.95 3go8 n ALA 132 N -2.39 0.95 -0.14 1.53 0.00 -0.04 -1.80 120.51 118.62 3go8 n ALA 132 Ca -0.06 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3go8 n ALA 132 Cb 0.90 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3go8 n ALA 132 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3go8 n GLU 133 N 2.34 0.00 -1.80 0.00 -0.58 -1.26 -4.86 120.64 114.47 3go8 n GLU 133 Ca 0.13 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.46 3go8 n GLU 133 Cb 0.30 -1.37 -0.02 0.00 -0.57 0.00 0.00 31.44 29.77 3go8 n GLU 133 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3go8 s LEU 134 N 0.00 4.36 1.22 -4.62 2.96 -0.74 -4.27 118.68 117.59 3go8 s LEU 134 Ca 0.00 2.84 -0.21 0.00 -0.22 0.00 0.00 54.13 56.54 3go8 s LEU 134 Cb 0.00 -3.61 0.30 0.00 0.50 0.00 0.00 46.19 43.38 3go8 s LEU 134 CO 0.00 -0.90 1.14 -0.83 -1.32 0.00 0.00 176.35 174.44 3go8 s GLY 135 N 0.85 1.62 0.62 7.98 0.00 0.80 -4.94 107.32 114.26 3go8 s GLY 135 Ca 0.68 -1.12 -0.16 0.00 0.00 0.00 0.00 44.72 44.12 3go8 s GLY 135 CO 0.39 -0.18 1.12 2.56 0.00 0.00 0.00 173.10 176.98 3go8 s PRO 136 N -5.57 2.96 0.24 2.90 0.04 -1.26 -3.89 135.00 130.42 3go8 s PRO 136 Ca 0.73 1.47 -0.31 0.00 0.04 0.00 0.00 61.00 62.93 3go8 s PRO 136 Cb -0.07 -1.97 -0.12 0.00 0.04 0.00 0.00 34.50 32.39 3go8 s PRO 136 CO 0.55 -1.13 1.68 0.39 0.04 0.00 0.00 177.00 178.53 3go8 n GLU 137 N -2.06 2.75 0.20 4.56 -0.58 -1.26 -0.98 120.64 123.26 3go8 n GLU 137 Ca 0.11 0.99 0.13 0.00 -0.42 0.00 0.00 57.16 57.96 3go8 n GLU 137 Cb 0.52 -2.81 0.71 0.00 -0.57 0.00 0.00 31.44 29.28 3go8 n GLU 137 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3go8 h PRO 138 N 6.07 0.00 -0.46 3.49 0.13 -1.94 -1.21 132.00 138.08 3go8 h PRO 138 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3go8 h PRO 138 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3go8 h PRO 138 CO 0.90 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.95 3go8 n LEU 139 N -4.33 2.71 -4.93 1.56 4.77 -1.26 -4.76 117.00 110.76 3go8 n LEU 139 Ca 0.01 -1.31 -0.28 0.00 -0.03 0.00 0.00 56.01 54.40 3go8 n LEU 139 Cb 0.24 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 3go8 n LEU 139 CO 0.33 0.66 -0.02 -0.94 -1.33 0.00 0.00 177.39 176.08 3go8 s SER 140 N -1.13 6.38 0.59 -1.43 1.04 -0.46 -4.99 113.70 113.71 3go8 s SER 140 Ca 0.35 0.34 0.39 0.00 0.48 0.00 0.00 55.95 57.52 3go8 s SER 140 Cb 0.19 -1.99 2.08 0.00 0.10 0.00 0.00 66.02 66.40 3go8 s SER 140 CO 0.25 0.01 2.20 -0.65 0.98 0.00 0.00 173.24 176.03 3go8 h PRO 141 N 2.21 0.00 0.00 4.02 0.11 -1.92 -1.93 132.00 134.49 3go8 h PRO 141 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3go8 h PRO 141 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3go8 h PRO 141 CO 0.69 0.00 -0.08 0.00 -0.21 0.00 0.00 178.00 178.41 3go8 h ALA 142 N 2.01 1.28 -2.15 -0.75 0.00 -1.94 -3.35 119.26 114.36 3go8 h ALA 142 Ca 0.00 -0.07 -0.69 0.00 0.00 0.00 0.00 54.91 54.15 3go8 h ALA 142 Cb 0.07 -0.01 -0.19 0.00 0.00 0.00 0.00 17.79 17.66 3go8 h ALA 142 CO 0.00 0.09 -0.04 0.12 0.00 0.00 0.00 179.25 179.43 3go8 s PHE 143 N -4.25 3.09 0.24 0.00 2.19 -0.73 -4.88 117.98 113.66 3go8 s PHE 143 Ca -0.03 -0.60 0.05 0.00 0.33 0.00 0.00 56.93 56.68 3go8 s PHE 143 Cb 0.13 -3.43 -0.05 0.00 -1.31 0.00 0.00 43.02 38.36 3go8 s PHE 143 CO 0.56 -0.97 -0.02 -1.54 1.83 0.00 0.00 175.22 175.08 3go8 s SER 144 N 2.61 2.13 0.26 6.13 1.04 -1.26 -4.79 113.70 119.82 3go8 s SER 144 Ca 0.13 -1.20 -0.03 0.00 0.48 0.00 0.00 55.95 55.33 3go8 s SER 144 Cb -0.20 -0.05 0.42 0.00 0.10 0.00 0.00 66.02 66.29 3go8 s SER 144 CO 0.11 -0.45 1.84 -0.65 0.98 0.00 0.00 173.24 175.07 3go8 h PRO 145 N 2.42 0.93 -0.68 4.02 0.11 -1.95 -1.35 132.00 135.50 3go8 h PRO 145 Ca -0.39 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.67 3go8 h PRO 145 Cb 1.22 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 3go8 h PRO 145 CO 0.65 0.61 0.45 0.00 -0.21 0.00 0.00 178.00 179.50 3go8 h ALA 146 N 1.46 0.86 -0.39 -0.75 0.00 -1.97 0.39 119.26 118.87 3go8 h ALA 146 Ca 0.42 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 3go8 h ALA 146 Cb 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3go8 h ALA 146 CO -0.22 0.29 0.13 0.28 0.00 0.00 0.00 179.25 179.73 3go8 h VAL 147 N 0.92 1.21 -0.51 0.00 2.07 -1.82 -0.74 116.25 117.39 3go8 h VAL 147 Ca 0.25 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 3go8 h VAL 147 Cb -0.10 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3go8 h VAL 147 CO -0.05 0.24 0.15 0.25 0.02 0.00 0.00 177.57 178.18 3go8 h LEU 148 N 0.49 0.74 -0.68 2.57 5.85 -0.81 -2.71 115.31 120.76 3go8 h LEU 148 Ca 0.13 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3go8 h LEU 148 Cb 0.25 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3go8 h LEU 148 CO -0.00 0.76 0.42 0.00 -0.34 0.00 0.00 178.44 179.27 3go8 h ALA 149 N 1.01 0.87 -0.77 1.25 0.00 -0.02 -0.62 119.26 120.97 3go8 h ALA 149 Ca 0.16 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3go8 h ALA 149 Cb 0.28 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3go8 h ALA 149 CO -0.00 0.33 0.51 1.49 0.00 0.00 0.00 179.25 181.58 3go8 h GLU 150 N 0.93 1.00 -0.19 0.00 4.22 -1.05 -0.95 114.58 118.54 3go8 h GLU 150 Ca 0.25 -0.06 -0.21 0.00 0.08 0.00 0.00 59.36 59.42 3go8 h GLU 150 Cb -0.05 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 28.98 3go8 h GLU 150 CO -0.05 0.66 -0.69 0.00 -2.18 0.00 0.00 179.01 176.75 3go8 h ARG 151 N 1.03 0.78 -0.60 1.92 2.47 -1.27 -3.30 114.38 115.41 3go8 h ARG 151 Ca 0.29 -0.58 -0.04 0.00 -1.26 0.00 0.00 59.98 58.39 3go8 h ARG 151 Cb -0.09 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.30 3go8 h ARG 151 CO -0.07 1.20 0.22 0.00 0.56 0.00 0.00 179.97 181.88 3go8 h ALA 152 N 0.65 0.78 -0.10 0.04 0.00 -0.73 -3.16 119.26 116.74 3go8 h ALA 152 Ca -0.03 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3go8 h ALA 152 Cb 1.31 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3go8 h ALA 152 CO 0.14 0.41 -0.28 -0.39 0.00 0.00 0.00 179.25 179.13 3go8 h VAL 153 N 0.84 1.25 -0.37 0.00 -1.51 -1.27 -3.00 116.25 112.18 3go8 h VAL 153 Ca 0.20 -1.16 0.00 0.00 -1.23 0.00 0.00 66.70 64.51 3go8 h VAL 153 Cb 0.23 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 3go8 h VAL 153 CO -0.01 0.35 0.00 0.29 -1.23 0.00 0.00 177.57 176.96 3go8 n LYS 154 N -4.14 2.05 -4.36 5.19 5.02 -1.19 -4.84 118.16 115.89 3go8 n LYS 154 Ca -0.01 -1.61 -0.27 0.00 -2.02 0.00 0.00 58.31 54.39 3go8 n LYS 154 Cb 0.38 -1.40 -0.13 0.00 -0.02 0.00 0.00 35.03 33.86 3go8 n LYS 154 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3go8 s THR 155 N -1.51 2.07 -1.84 -0.18 -1.32 -1.19 -5.01 115.64 106.67 3go8 s THR 155 Ca 0.33 -1.68 0.27 0.00 -1.21 0.00 0.00 61.69 59.39 3go8 s THR 155 Cb 0.18 -1.85 0.30 0.00 -1.51 0.00 0.00 72.50 69.62 3go8 s THR 155 CO 0.24 0.04 1.59 0.29 -2.21 0.00 0.00 174.62 174.57 3go8 n LYS 156 N 0.98 0.93 -1.28 7.08 4.01 -1.26 -4.31 118.16 124.31 3go8 n LYS 156 Ca -0.19 -0.54 -0.29 0.00 -0.51 0.00 0.00 58.31 56.78 3go8 n LYS 156 Cb 0.53 -1.49 0.14 0.00 -0.51 0.00 0.00 35.03 33.71 3go8 n LYS 156 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3go8 s ARG 157 N -2.44 1.07 0.73 1.97 0.52 -1.26 -4.79 118.95 114.75 3go8 s ARG 157 Ca 0.26 0.63 -0.11 0.00 -0.52 0.00 0.00 55.73 55.99 3go8 s ARG 157 Cb 0.19 -1.80 0.03 0.00 0.52 0.00 0.00 34.95 33.89 3go8 s ARG 157 CO 0.50 -2.32 1.07 -1.54 0.02 0.00 0.00 175.30 173.03 3go8 s SER 158 N -3.57 5.00 0.25 0.23 1.04 -1.26 -1.22 113.70 114.17 3go8 s SER 158 Ca 0.64 1.63 -0.06 0.00 0.48 0.00 0.00 55.95 58.64 3go8 s SER 158 Cb -0.17 -2.44 0.27 0.00 0.10 0.00 0.00 66.02 63.78 3go8 s SER 158 CO 0.56 -1.69 1.89 1.62 0.98 0.00 0.00 173.24 176.60 3go8 h VAL 159 N -0.89 1.25 -0.40 5.02 3.04 -0.43 -2.19 116.25 121.65 3go8 h VAL 159 Ca -0.44 -0.57 -0.00 0.00 -1.01 0.00 0.00 66.70 64.67 3go8 h VAL 159 Cb 1.22 -0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 30.48 3go8 h VAL 159 CO 0.56 0.27 0.24 0.50 -1.01 0.00 0.00 177.57 178.13 3go8 h LYS 160 N 1.25 0.54 -0.86 4.17 3.64 -1.72 -1.73 116.57 121.86 3go8 h LYS 160 Ca 0.32 -0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.74 3go8 h LYS 160 Cb -0.03 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.60 3go8 h LYS 160 CO -0.06 0.41 0.51 0.00 -2.27 0.00 0.00 179.45 178.04 3go8 h ALA 161 N 1.11 1.22 -0.50 5.00 0.00 -1.76 -1.86 119.26 122.48 3go8 h ALA 161 Ca 0.14 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3go8 h ALA 161 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3go8 h ALA 161 CO -0.03 0.17 0.11 1.25 0.00 0.00 0.00 179.25 180.75 3go8 h LEU 162 N 0.87 0.77 -1.04 0.00 5.85 -1.07 -2.85 115.31 117.84 3go8 h LEU 162 Ca 0.41 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 3go8 h LEU 162 Cb 0.33 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3go8 h LEU 162 CO -0.23 0.81 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.37 3go8 h LEU 163 N 0.70 0.00 0.00 2.25 3.38 -0.85 -2.49 115.31 118.29 3go8 h LEU 163 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3go8 h LEU 163 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3go8 h LEU 163 CO 0.00 0.24 -0.13 0.18 0.09 0.00 0.00 178.44 178.82 3go8 n LEU 164 N -3.38 0.16 -4.63 1.67 4.77 -0.74 -4.73 117.00 110.12 3go8 n LEU 164 Ca 0.00 0.38 -0.43 0.00 -0.03 0.00 0.00 56.01 55.94 3go8 n LEU 164 Cb 0.45 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 3go8 n LEU 164 CO 0.34 0.02 1.04 -0.62 -1.33 0.00 0.00 177.39 176.83 3go8 s ASP 165 N -3.09 6.81 0.39 -1.43 -1.08 -0.94 -4.91 116.67 112.42 3go8 s ASP 165 Ca 0.13 1.09 0.27 0.00 -0.52 0.00 0.00 52.55 53.52 3go8 s ASP 165 Cb 0.18 -2.54 1.39 0.00 -1.46 0.00 0.00 42.92 40.49 3go8 s ASP 165 CO 0.58 -0.98 1.82 0.00 0.52 0.00 0.00 175.17 177.11 3go8 n THR 167 N -2.46 0.43 -0.09 0.00 -2.24 -1.26 -0.14 114.28 108.52 3go8 n THR 167 Ca -0.01 -0.25 -0.20 0.00 -2.27 0.00 0.00 64.05 61.32 3go8 n THR 167 Cb 0.09 -0.33 -0.12 0.00 -2.10 0.00 0.00 70.33 67.86 3go8 n THR 167 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3go8 h VAL 168 N 0.00 1.13 -2.80 2.28 2.07 -1.36 -3.32 116.25 114.25 3go8 h VAL 168 Ca 0.00 -2.23 -0.13 0.00 0.82 0.00 0.00 66.70 65.16 3go8 h VAL 168 Cb 0.72 2.53 -0.25 0.00 -1.52 0.00 0.00 31.29 32.77 3go8 h VAL 168 CO 0.00 0.41 -0.28 0.54 0.02 0.00 0.00 177.57 178.26 3go8 s VAL 169 N -2.34 -0.00 -0.26 2.57 0.11 -1.17 -4.20 120.40 115.11 3go8 s VAL 169 Ca -0.26 0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 58.52 3go8 s VAL 169 Cb 0.04 -0.54 0.01 0.00 -1.53 0.00 0.00 36.38 34.36 3go8 s VAL 169 CO 0.62 0.01 1.12 0.00 -3.33 0.00 0.00 175.10 173.52 3go8 s ALA 170 N 0.38 3.57 -1.27 1.54 0.00 -0.16 -4.27 121.76 121.56 3go8 s ALA 170 Ca -0.01 0.12 -0.01 0.00 0.00 0.00 0.00 51.96 52.05 3go8 s ALA 170 Cb -0.04 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.45 3go8 s ALA 170 CO -0.01 -1.33 0.13 0.41 0.00 0.00 0.00 175.76 174.96 3go8 n GLY 171 N 3.70 -0.25 3.59 0.00 0.00 -1.26 -4.49 105.19 106.48 3go8 n GLY 171 Ca 0.13 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 3go8 n GLY 171 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3go8 s PHE 172 N -2.84 2.89 0.82 1.61 5.36 -1.26 -4.34 117.98 120.22 3go8 s PHE 172 Ca 0.06 0.64 -0.12 0.00 -0.96 0.00 0.00 56.93 56.55 3go8 s PHE 172 Cb -0.03 -4.18 0.09 0.00 -0.34 0.00 0.00 43.02 38.56 3go8 s PHE 172 CO 0.08 -1.15 1.19 0.20 -1.46 0.00 0.00 175.22 174.08 3go8 s GLY 173 N 2.30 1.61 0.27 13.12 0.00 -1.26 -4.73 107.32 118.63 3go8 s GLY 173 Ca 0.43 -0.71 -0.00 0.00 0.00 0.00 0.00 44.72 44.44 3go8 s GLY 173 CO 0.28 -0.20 1.78 -0.57 0.00 0.00 0.00 173.10 174.39 3go8 h ASN 174 N -1.11 0.63 -0.08 1.64 -1.24 -1.97 -1.13 115.58 112.31 3go8 h ASN 174 Ca -0.46 0.08 -0.00 0.00 0.71 0.00 0.00 56.30 56.63 3go8 h ASN 174 Cb 1.32 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 40.34 3go8 h ASN 174 CO 0.63 0.28 0.04 -0.29 -1.29 0.00 0.00 177.43 176.80 3go8 h ILE 175 N 0.70 1.11 -0.02 2.57 2.10 -1.96 -2.02 117.51 119.99 3go8 h ILE 175 Ca 0.48 -0.32 -0.11 0.00 1.08 0.00 0.00 64.86 65.99 3go8 h ILE 175 Cb 0.64 1.17 -0.02 0.00 -1.09 0.00 0.00 36.82 37.53 3go8 h ILE 175 CO -0.34 0.09 -0.53 1.88 -1.08 0.00 0.00 178.15 178.18 3go8 h TYR 176 N 0.01 0.05 0.18 2.19 -1.99 -1.82 -1.45 116.97 114.15 3go8 h TYR 176 Ca 0.03 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 3go8 h TYR 176 Cb 0.12 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 38.83 3go8 h TYR 176 CO -0.03 0.56 -0.11 0.28 -0.00 0.00 0.00 178.16 178.85 3go8 h VAL 177 N 0.03 0.76 -0.50 -2.88 2.07 -1.01 0.38 116.25 115.10 3go8 h VAL 177 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3go8 h VAL 177 Cb 0.94 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3go8 h VAL 177 CO 0.07 0.00 0.23 0.44 0.02 0.00 0.00 177.57 178.33 3go8 h ASP 178 N -0.29 0.67 -0.48 0.57 3.45 -1.19 -1.44 116.42 117.71 3go8 h ASP 178 Ca -0.02 -0.14 -0.05 0.00 0.43 0.00 0.00 57.03 57.25 3go8 h ASP 178 Cb 0.24 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.82 3go8 h ASP 178 CO 0.02 0.62 0.10 -0.33 -1.57 0.00 0.00 179.24 178.08 3go8 h GLU 179 N 0.67 0.78 -0.55 3.56 4.39 -1.19 -2.06 114.58 120.17 3go8 h GLU 179 Ca 0.17 -0.20 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 3go8 h GLU 179 Cb 0.14 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 3go8 h GLU 179 CO -0.02 0.78 -0.05 0.77 -1.16 0.00 0.00 179.01 179.33 3go8 h SER 180 N 0.66 1.00 -0.59 1.42 0.02 -0.81 -1.06 113.55 114.20 3go8 h SER 180 Ca 0.15 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 3go8 h SER 180 Cb 0.36 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 3go8 h SER 180 CO 0.01 1.09 0.23 -0.07 -1.14 0.00 0.00 176.83 176.95 3go8 h LEU 181 N 0.89 0.81 0.04 5.07 3.38 -1.23 0.28 115.31 124.55 3go8 h LEU 181 Ca 0.15 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3go8 h LEU 181 Cb 0.60 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3go8 h LEU 181 CO 0.04 0.76 -0.08 0.15 0.09 0.00 0.00 178.44 179.40 3go8 h PHE 182 N 0.81 -0.21 -0.04 1.13 3.57 -1.23 0.08 116.94 121.06 3go8 h PHE 182 Ca 0.20 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3go8 h PHE 182 Cb 0.20 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 3go8 h PHE 182 CO 0.01 -0.13 -0.01 0.00 -2.23 0.00 0.00 178.31 175.95 3go8 h ARG 183 N -0.17 0.05 0.00 1.11 3.08 -0.94 -1.72 114.38 115.79 3go8 h ARG 183 Ca 0.02 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3go8 h ARG 183 Cb 0.18 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3go8 h ARG 183 CO -0.05 0.07 -0.24 0.00 -1.07 0.00 0.00 179.97 178.67 3go8 h ALA 184 N 1.94 0.85 -0.98 0.04 0.00 -0.71 -3.48 119.26 116.91 3go8 h ALA 184 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3go8 h ALA 184 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3go8 h ALA 184 CO 0.00 0.00 -0.13 0.41 0.00 0.00 0.00 179.25 179.54 3go8 n GLY 185 N 1.26 0.29 3.26 0.00 0.00 -0.09 -4.87 105.19 105.04 3go8 n GLY 185 Ca 0.04 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 3go8 n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3go8 s ILE 186 N -2.43 2.37 0.23 -0.61 1.01 -0.60 -1.26 121.20 119.92 3go8 s ILE 186 Ca 0.03 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 59.48 3go8 s ILE 186 Cb -0.01 -1.95 -0.09 0.00 0.01 0.00 0.00 42.46 40.42 3go8 s ILE 186 CO 0.04 0.54 1.33 -0.76 0.00 0.00 0.00 174.94 176.09 3go8 s LEU 187 N 0.45 4.42 0.45 2.97 1.43 -1.26 -4.43 118.68 122.70 3go8 s LEU 187 Ca -0.14 2.50 0.11 0.00 -1.03 0.00 0.00 54.13 55.56 3go8 s LEU 187 Cb -0.17 -3.62 1.00 0.00 0.03 0.00 0.00 46.19 43.44 3go8 s LEU 187 CO 0.06 -0.55 2.08 -0.65 0.23 0.00 0.00 176.35 177.52 3go8 h PRO 188 N 4.95 0.36 -0.00 1.29 0.11 -1.94 -2.41 132.00 134.35 3go8 h PRO 188 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3go8 h PRO 188 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3go8 h PRO 188 CO 0.75 0.24 -0.06 0.41 -0.21 0.00 0.00 178.00 179.13 3go8 n GLY 189 N -1.50 -0.93 3.65 -0.55 0.00 -1.26 -2.36 105.19 102.23 3go8 n GLY 189 Ca 0.02 -0.25 -0.45 0.00 0.00 0.00 0.00 46.02 45.34 3go8 n GLY 189 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3go8 n ARG 190 N -0.92 1.83 -1.75 1.61 5.12 -0.91 -4.73 116.66 116.91 3go8 n ARG 190 Ca 0.17 0.65 -0.42 0.00 -1.93 0.00 0.00 57.85 56.32 3go8 n ARG 190 Cb 0.24 -2.24 -0.02 0.00 -1.16 0.00 0.00 32.46 29.29 3go8 n ARG 190 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 3go8 s PRO 191 N -0.72 4.11 0.36 5.56 0.02 -1.26 0.10 135.00 143.16 3go8 s PRO 191 Ca 0.66 2.61 0.10 0.00 0.02 0.00 0.00 61.00 64.39 3go8 s PRO 191 Cb -0.68 -3.02 0.85 0.00 0.02 0.00 0.00 34.50 31.67 3go8 s PRO 191 CO 0.53 -0.67 1.86 0.00 -0.33 0.00 0.00 177.00 178.39 3go8 h ALA 192 N 5.10 1.87 0.00 -1.55 0.00 -1.36 -0.48 119.26 122.83 3go8 h ALA 192 Ca -0.47 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3go8 h ALA 192 Cb 1.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3go8 h ALA 192 CO 0.82 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.94 3go8 n ALA 193 N -2.43 1.83 1.00 0.00 0.00 -1.14 -2.57 120.51 117.19 3go8 n ALA 193 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.75 3go8 n ALA 193 Cb 0.51 -1.36 0.38 0.00 0.00 0.00 0.00 19.45 18.99 3go8 n ALA 193 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3go8 n SER 194 N -1.91 0.32 -4.72 0.00 3.41 -0.19 -4.89 113.62 105.64 3go8 n SER 194 Ca 0.04 0.03 -0.42 0.00 -0.26 0.00 0.00 58.87 58.25 3go8 n SER 194 Cb 0.25 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 3go8 n SER 194 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3go8 s LEU 195 N -3.01 4.38 0.84 1.04 1.02 -1.06 -5.02 118.68 116.87 3go8 s LEU 195 Ca 0.12 2.20 -0.11 0.00 0.02 0.00 0.00 54.13 56.36 3go8 s LEU 195 Cb 0.18 -3.59 0.10 0.00 0.02 0.00 0.00 46.19 42.90 3go8 s LEU 195 CO 0.64 -0.55 1.09 -0.94 0.02 0.00 0.00 176.35 176.61 3go8 s SER 196 N 0.96 3.90 0.26 2.29 1.04 -1.26 -4.81 113.70 116.08 3go8 s SER 196 Ca 0.61 1.66 -0.02 0.00 0.48 0.00 0.00 55.95 58.68 3go8 s SER 196 Cb -0.34 -2.34 0.53 0.00 0.10 0.00 0.00 66.02 63.98 3go8 s SER 196 CO 0.31 -2.39 1.73 0.28 0.98 0.00 0.00 173.24 174.14 3go8 h SER 197 N -1.38 0.33 -0.24 7.02 0.02 -1.99 0.29 113.55 117.60 3go8 h SER 197 Ca -0.47 0.12 0.03 0.00 -0.84 0.00 0.00 61.79 60.63 3go8 h SER 197 Cb 1.26 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.86 3go8 h SER 197 CO 0.53 0.10 0.05 0.50 -1.14 0.00 0.00 176.83 176.87 3go8 h LYS 198 N 0.46 0.15 -0.66 3.45 3.64 -1.99 -1.10 116.57 120.52 3go8 h LYS 198 Ca 0.46 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.76 3go8 h LYS 198 Cb 0.73 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 3go8 h LYS 198 CO -0.43 0.10 0.13 0.93 -2.27 0.00 0.00 179.45 177.91 3go8 h GLU 199 N 0.15 1.08 -0.43 1.90 5.08 -1.73 -0.87 114.58 119.77 3go8 h GLU 199 Ca 0.11 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3go8 h GLU 199 Cb 0.10 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3go8 h GLU 199 CO -0.14 0.98 0.23 0.82 -1.00 0.00 0.00 179.01 179.90 3go8 h ILE 200 N 1.00 1.16 -0.17 3.13 1.08 -0.73 0.10 117.51 123.08 3go8 h ILE 200 Ca 0.20 -0.43 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 3go8 h ILE 200 Cb 0.41 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 3go8 h ILE 200 CO 0.01 0.17 0.10 -0.08 -0.69 0.00 0.00 178.15 177.66 3go8 h GLU 201 N 0.56 0.21 -0.83 2.37 4.57 -1.00 -0.08 114.58 120.38 3go8 h GLU 201 Ca 0.15 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.29 3go8 h GLU 201 Cb 0.07 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 3go8 h GLU 201 CO -0.02 0.14 0.41 -0.09 -1.18 0.00 0.00 179.01 178.26 3go8 h ARG 202 N 0.21 1.19 -0.14 1.92 9.65 -0.98 -0.65 114.38 125.59 3go8 h ARG 202 Ca 0.07 -0.17 -0.01 0.00 -1.10 0.00 0.00 59.98 58.76 3go8 h ARG 202 Cb -0.01 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.35 3go8 h ARG 202 CO -0.03 0.91 0.03 1.25 2.80 0.00 0.00 179.97 184.93 3go8 h LEU 203 N 1.17 0.21 -0.42 3.80 5.85 -0.54 -1.05 115.31 124.33 3go8 h LEU 203 Ca 0.29 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.83 3go8 h LEU 203 Cb 0.10 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 3go8 h LEU 203 CO -0.04 0.40 0.11 -0.74 -0.34 0.00 0.00 178.44 177.83 3go8 h HIS 204 N 0.02 0.18 -0.47 1.25 2.76 -0.86 0.09 115.15 118.13 3go8 h HIS 204 Ca 0.04 0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.32 3go8 h HIS 204 Cb 0.27 -0.02 -0.07 0.00 1.55 0.00 0.00 27.41 29.15 3go8 h HIS 204 CO 0.01 0.04 0.08 1.49 -1.30 0.00 0.00 177.93 178.25 3go8 h GLU 205 N 0.25 0.20 -0.00 5.26 4.81 -0.84 -1.71 114.58 122.54 3go8 h GLU 205 Ca 0.20 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.25 3go8 h GLU 205 Cb 0.23 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3go8 h GLU 205 CO -0.24 0.13 -0.77 0.93 -0.73 0.00 0.00 179.01 178.33 3go8 h GLU 206 N 0.21 0.05 -0.16 1.92 4.39 -0.78 -0.89 114.58 119.32 3go8 h GLU 206 Ca 0.23 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 3go8 h GLU 206 Cb 0.31 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3go8 h GLU 206 CO -0.32 0.79 0.06 0.52 -1.16 0.00 0.00 179.01 178.90 3go8 h MET 207 N 0.03 0.24 -0.55 2.33 2.86 -0.72 0.19 114.93 119.32 3go8 h MET 207 Ca -0.01 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3go8 h MET 207 Cb 1.35 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.95 3go8 h MET 207 CO 0.10 0.33 0.24 0.28 1.06 0.00 0.00 176.91 178.93 3go8 h VAL 208 N 0.10 1.21 -0.34 -2.22 2.07 -1.17 -1.93 116.25 113.97 3go8 h VAL 208 Ca 0.05 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 3go8 h VAL 208 Cb 0.19 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3go8 h VAL 208 CO -0.00 0.25 0.07 0.00 0.02 0.00 0.00 177.57 177.91 3go8 h ALA 209 N 1.08 0.45 0.11 1.67 0.00 -1.10 0.11 119.26 121.58 3go8 h ALA 209 Ca 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3go8 h ALA 209 Cb 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3go8 h ALA 209 CO -0.02 0.13 -0.05 1.15 0.00 0.00 0.00 179.25 180.46 3go8 h THR 210 N 0.40 0.94 -0.07 0.00 2.02 -0.88 0.32 112.91 115.63 3go8 h THR 210 Ca 0.11 -0.17 -0.20 0.00 0.77 0.00 0.00 66.41 66.91 3go8 h THR 210 Cb 0.32 1.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3go8 h THR 210 CO 0.00 0.04 -0.79 -0.29 0.37 0.00 0.00 175.52 174.86 3go8 h ILE 211 N -0.23 1.36 -0.55 3.11 6.09 -1.38 -2.71 117.51 123.21 3go8 h ILE 211 Ca -0.02 -2.17 -0.03 0.00 -1.37 0.00 0.00 64.86 61.27 3go8 h ILE 211 Cb 0.19 2.15 -0.02 0.00 0.47 0.00 0.00 36.82 39.61 3go8 h ILE 211 CO 0.03 0.66 0.21 1.23 -3.07 0.00 0.00 178.15 177.21 3go8 h GLY 212 N 1.12 0.88 0.98 8.18 0.00 -0.72 -0.15 103.07 113.37 3go8 h GLY 212 Ca -0.05 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 46.81 3go8 h GLY 212 CO 0.14 0.46 0.57 0.83 0.00 0.00 0.00 176.54 178.54 3go8 h GLU 213 N 0.75 1.13 -0.23 4.80 5.08 -0.94 -2.03 114.58 123.13 3go8 h GLU 213 Ca 0.18 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.32 3go8 h GLU 213 Cb 0.21 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3go8 h GLU 213 CO -0.01 0.74 -0.50 0.00 -1.00 0.00 0.00 179.01 178.25 3go8 h ALA 214 N 1.33 0.70 -0.33 3.43 0.00 -1.11 -3.08 119.26 120.20 3go8 h ALA 214 Ca 0.32 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 3go8 h ALA 214 Cb -0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3go8 h ALA 214 CO -0.08 0.68 -0.27 0.28 0.00 0.00 0.00 179.25 179.86 3go8 h VAL 215 N 0.50 1.28 -0.00 0.00 2.07 -0.91 -3.47 116.25 115.71 3go8 h VAL 215 Ca 0.02 -1.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.10 3go8 h VAL 215 Cb 1.04 1.31 0.01 0.00 -1.52 0.00 0.00 31.29 32.12 3go8 h VAL 215 CO 0.10 0.45 -0.27 0.24 0.02 0.00 0.00 177.57 178.10 3go8 h MET 216 N 0.59 0.19 0.00 1.57 2.86 -1.28 -3.49 114.93 115.37 3go8 h MET 216 Ca 0.08 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3go8 h MET 216 Cb 0.76 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.47 3go8 h MET 216 CO 0.06 0.93 0.00 1.58 1.06 0.00 0.00 176.91 180.54 3go8 n HIS 238 N -4.49 0.00 -5.07 -0.22 -0.00 -1.26 -5.08 115.22 99.10 3go8 n HIS 238 Ca -0.10 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.80 3go8 n HIS 238 Cb 0.51 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 30.22 3go8 n HIS 238 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3go8 s LEU 239 N 0.00 2.03 -0.10 0.27 1.43 -1.26 -5.04 118.68 116.01 3go8 s LEU 239 Ca 0.00 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 3go8 s LEU 239 Cb 0.00 -1.14 -0.25 0.00 0.03 0.00 0.00 46.19 44.84 3go8 s LEU 239 CO 0.00 0.25 0.43 -1.22 0.23 0.00 0.00 176.35 176.04 3go8 n TYR 240 N 2.67 1.06 0.00 0.29 4.02 -1.26 -4.84 117.16 119.11 3go8 n TYR 240 Ca -0.16 0.28 0.00 0.00 -0.01 0.00 0.00 57.90 58.01 3go8 n TYR 240 Cb 0.52 -1.16 0.00 0.00 -0.02 0.00 0.00 39.34 38.69 3go8 n TYR 240 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 3go8 n VAL 241 N -3.29 0.00 -2.05 -0.72 0.24 -1.26 -4.54 118.33 106.71 3go8 n VAL 241 Ca -0.27 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.60 3go8 n VAL 241 Cb 1.05 -0.25 -0.03 0.00 -1.47 0.00 0.00 33.84 33.14 3go8 n VAL 241 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3go8 s TYR 242 N -1.29 2.18 0.00 6.34 5.04 -1.26 -1.27 117.35 127.10 3go8 s TYR 242 Ca 0.00 0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.96 3go8 s TYR 242 Cb 0.00 -3.87 0.00 0.00 0.35 0.00 0.00 41.96 38.44 3go8 s TYR 242 CO 0.00 -3.57 0.00 0.41 -1.34 0.00 0.00 175.55 171.05 3go8 n GLY 243 N 4.03 0.59 1.40 8.97 0.00 -1.26 -4.90 105.19 114.02 3go8 n GLY 243 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 3go8 n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3go8 n ARG 244 N -2.09 3.73 -1.59 1.61 1.74 -0.39 -5.00 116.66 114.66 3go8 n ARG 244 Ca 0.00 -2.85 -0.46 0.00 -0.77 0.00 0.00 57.85 53.76 3go8 n ARG 244 Cb 0.05 -1.90 -0.03 0.00 -1.02 0.00 0.00 32.46 29.57 3go8 n ARG 244 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3go8 n GLN 245 N 0.59 1.32 0.00 5.56 0.00 -1.26 -1.13 117.38 122.46 3go8 n GLN 245 Ca 0.24 0.47 0.00 0.00 0.00 0.00 0.00 57.00 57.70 3go8 n GLN 245 Cb 0.91 -1.91 0.00 0.00 0.00 0.00 0.00 30.24 29.25 3go8 n GLN 245 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3go8 n GLY 246 N 1.63 2.90 3.92 2.61 0.00 -0.00 -4.92 105.19 111.32 3go8 n GLY 246 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 3go8 n GLY 246 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3go8 s ASN 247 N -3.06 6.38 0.27 1.61 0.01 -0.28 -4.75 114.94 115.12 3go8 s ASN 247 Ca 0.00 0.55 -0.30 0.00 -0.71 0.00 0.00 52.86 52.41 3go8 s ASN 247 Cb 0.00 -2.07 -0.10 0.00 0.41 0.00 0.00 41.25 39.48 3go8 s ASN 247 CO 0.00 -0.19 1.43 -2.84 -1.51 0.00 0.00 177.10 174.00 3go8 s PRO 248 N -3.73 4.26 0.23 -0.60 0.02 -1.26 -0.88 135.00 133.04 3go8 s PRO 248 Ca 0.41 2.32 -0.31 0.00 0.02 0.00 0.00 61.00 63.44 3go8 s PRO 248 Cb -0.10 -3.09 -0.14 0.00 0.02 0.00 0.00 34.50 31.19 3go8 s PRO 248 CO 0.32 -0.41 1.30 0.00 -0.33 0.00 0.00 177.00 177.88 3go8 n LYS 250 N 1.77 0.15 -0.09 0.00 5.02 -1.26 -0.95 118.16 122.80 3go8 n LYS 250 Ca 0.12 0.31 -0.09 0.00 -2.02 0.00 0.00 58.31 56.63 3go8 n LYS 250 Cb 0.30 -1.75 -0.14 0.00 -0.02 0.00 0.00 35.03 33.42 3go8 n LYS 250 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3go8 n ARG 251 N -2.03 1.10 0.00 1.97 5.12 -1.26 -4.81 116.66 116.74 3go8 n ARG 251 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 3go8 n ARG 251 Cb 0.26 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 3go8 n ARG 251 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3go8 n GLY 253 N 0.20 2.16 3.75 0.00 0.00 -0.12 -4.94 105.19 106.24 3go8 n GLY 253 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3go8 n GLY 253 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3go8 s THR 254 N -3.03 2.68 0.22 2.61 2.01 -1.26 -4.12 115.64 114.74 3go8 s THR 254 Ca 0.00 0.61 -0.32 0.00 0.31 0.00 0.00 61.69 62.29 3go8 s THR 254 Cb 0.00 -3.39 -0.13 0.00 0.01 0.00 0.00 72.50 68.99 3go8 s THR 254 CO 0.00 0.11 1.62 -2.65 -0.69 0.00 0.00 174.62 173.01 3go8 n PRO 255 N 1.76 2.49 -2.14 4.92 -0.02 -1.26 0.10 135.00 140.85 3go8 n PRO 255 Ca 0.04 0.89 -0.40 0.00 -2.02 0.00 0.00 63.50 62.02 3go8 n PRO 255 Cb 0.41 -2.68 -0.01 0.00 -0.02 0.00 0.00 33.50 31.19 3go8 n PRO 255 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3go8 s ILE 256 N 0.70 2.79 0.20 4.25 -1.09 -0.06 -4.62 121.20 123.36 3go8 s ILE 256 Ca 0.73 0.73 0.09 0.00 -2.23 0.00 0.00 60.65 59.96 3go8 s ILE 256 Cb -0.57 -3.44 -0.04 0.00 -1.58 0.00 0.00 42.46 36.83 3go8 s ILE 256 CO 0.39 0.13 -0.04 -1.61 -1.23 0.00 0.00 174.94 172.58 3go8 s GLU 257 N -2.06 2.23 -0.05 2.79 2.02 -0.07 -0.82 118.70 122.73 3go8 s GLU 257 Ca 0.54 -1.26 0.04 0.00 0.02 0.00 0.00 54.97 54.31 3go8 s GLU 257 Cb -0.37 -2.22 -0.00 0.00 0.10 0.00 0.00 34.13 31.64 3go8 s GLU 257 CO 0.48 0.42 -0.16 0.21 0.02 0.00 0.00 175.26 176.23 3go8 s LYS 258 N -3.08 1.73 0.28 1.61 2.20 -1.26 -1.74 119.74 119.48 3go8 s LYS 258 Ca 0.27 -0.57 0.05 0.00 -0.36 0.00 0.00 55.97 55.37 3go8 s LYS 258 Cb -0.08 -1.50 -0.02 0.00 -1.51 0.00 0.00 37.83 34.72 3go8 s LYS 258 CO 0.17 0.21 0.19 0.25 -0.36 0.00 0.00 175.35 175.82 3go8 n THR 259 N 3.23 0.00 -4.05 3.43 -2.24 0.40 -4.95 114.28 110.11 3go8 n THR 259 Ca -0.19 -1.91 -0.35 0.00 -2.27 0.00 0.00 64.05 59.33 3go8 n THR 259 Cb 0.53 0.88 -0.12 0.00 -2.10 0.00 0.00 70.33 69.52 3go8 n THR 259 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3go8 s VAL 260 N -2.98 4.02 -0.03 2.28 1.01 -1.26 -0.37 120.40 123.06 3go8 s VAL 260 Ca 0.27 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.97 3go8 s VAL 260 Cb 0.01 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.59 3go8 s VAL 260 CO 0.19 0.42 -0.03 -0.69 0.00 0.00 0.00 175.10 174.99 3go8 s VAL 261 N 1.02 0.43 -1.44 2.92 1.01 -0.61 -4.80 120.40 118.92 3go8 s VAL 261 Ca 0.02 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 3go8 s VAL 261 Cb -0.14 -0.46 0.03 0.00 0.00 0.00 0.00 36.38 35.81 3go8 s VAL 261 CO 0.02 0.19 0.49 0.00 0.00 0.00 0.00 175.10 175.80 3go8 n ALA 262 N 3.93 -0.97 -1.08 5.51 0.00 -1.26 -1.58 120.51 125.06 3go8 n ALA 262 Ca -0.25 0.20 -0.03 0.00 0.00 0.00 0.00 53.44 53.36 3go8 n ALA 262 Cb 0.51 -3.24 -0.01 0.00 0.00 0.00 0.00 19.45 16.71 3go8 n ALA 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3go8 n GLY 263 N -1.32 0.56 3.24 0.00 0.00 -1.26 -4.97 105.19 101.44 3go8 n GLY 263 Ca -0.09 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 3go8 n GLY 263 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3go8 s ARG 264 N -1.44 1.10 0.18 1.61 1.81 -0.61 -5.11 118.95 116.49 3go8 s ARG 264 Ca 0.00 -1.03 -0.33 0.00 -1.72 0.00 0.00 55.73 52.65 3go8 s ARG 264 Cb 0.00 -1.26 -0.14 0.00 -0.45 0.00 0.00 34.95 33.10 3go8 s ARG 264 CO 0.00 0.30 1.55 0.41 -0.68 0.00 0.00 175.30 176.88 3go8 n GLY 265 N 1.39 1.07 2.76 -3.53 0.00 -1.26 -1.58 105.19 104.04 3go8 n GLY 265 Ca -0.19 0.62 -0.20 0.00 0.00 0.00 0.00 46.02 46.24 3go8 n GLY 265 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3go8 s THR 266 N 0.70 0.17 -0.07 2.61 2.01 0.50 -4.89 115.64 116.67 3go8 s THR 266 Ca 0.76 0.20 0.05 0.00 0.31 0.00 0.00 61.69 63.01 3go8 s THR 266 Cb -0.66 -0.34 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 3go8 s THR 266 CO 0.40 0.20 -0.23 -1.00 -0.69 0.00 0.00 174.62 173.30 3go8 s HIS 267 N 1.70 2.52 0.05 4.92 3.76 -1.26 -0.45 115.29 126.53 3go8 s HIS 267 Ca -0.00 -0.75 -0.27 0.00 -0.15 0.00 0.00 55.06 53.89 3go8 s HIS 267 Cb -0.13 -1.65 0.07 0.00 1.11 0.00 0.00 32.58 31.99 3go8 s HIS 267 CO -0.03 -0.23 0.67 1.52 -0.85 0.00 0.00 174.74 175.81 3go8 s TYR 268 N -0.05 -0.57 -0.31 1.40 -0.85 -0.71 -4.84 117.35 111.43 3go8 s TYR 268 Ca -0.06 0.66 -0.16 0.00 -0.52 0.00 0.00 57.07 56.98 3go8 s TYR 268 Cb -0.15 0.49 -0.02 0.00 0.38 0.00 0.00 41.96 42.67 3go8 s TYR 268 CO 0.05 -0.71 0.43 0.00 -1.52 0.00 0.00 175.55 173.79 3go8 n PRO 270 N 5.48 0.19 -0.05 0.00 -0.04 -1.26 -2.01 135.00 137.32 3go8 n PRO 270 Ca -0.07 0.39 -0.19 0.00 -0.04 0.00 0.00 63.50 63.59 3go8 n PRO 270 Cb 0.50 -1.85 -0.13 0.00 -0.04 0.00 0.00 33.50 31.98 3go8 n PRO 270 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3go8 h ARG 271 N 0.00 0.10 0.00 0.54 2.43 -1.93 -3.41 114.38 112.11 3go8 h ARG 271 Ca 0.00 -0.17 -0.12 0.00 -0.81 0.00 0.00 59.98 58.88 3go8 h ARG 271 Cb 0.41 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 3go8 h ARG 271 CO 0.00 1.08 -0.74 0.00 -1.51 0.00 0.00 179.97 178.81 3go8 s GLN 273 N -2.95 3.86 0.00 0.00 -0.21 -0.85 -4.62 119.66 114.89 3go8 s GLN 273 Ca 0.02 -0.02 0.00 0.00 0.02 0.00 0.00 55.36 55.38 3go8 s GLN 273 Cb 0.08 -3.30 0.00 0.00 1.00 0.00 0.00 33.01 30.79 3go8 s GLN 273 CO 0.76 0.54 0.19 0.54 -2.12 0.00 0.00 175.29 175.20