#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fgo s GLU 2 N 0.00 4.41 -1.34 2.12 -1.05 -1.26 -3.93 118.70 117.65 3fgo s GLU 2 Ca 0.00 1.33 -0.00 0.00 -0.15 0.00 0.00 54.97 56.15 3fgo s GLU 2 Cb 0.00 -2.61 0.00 0.00 -0.44 0.00 0.00 34.13 31.08 3fgo s GLU 2 CO 0.00 0.11 0.05 0.00 0.95 0.00 0.00 175.26 176.38 3fgo n ALA 3 N 0.16 -0.50 -0.32 -0.84 0.00 -1.26 -4.89 120.51 112.87 3fgo n ALA 3 Ca 0.04 0.14 0.18 0.00 0.00 0.00 0.00 53.44 53.79 3fgo n ALA 3 Cb 0.51 -1.93 0.43 0.00 0.00 0.00 0.00 19.45 18.45 3fgo n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fgo h ALA 4 N 0.76 1.97 0.00 0.00 0.00 -1.96 -1.33 119.26 118.70 3fgo h ALA 4 Ca -0.38 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3fgo h ALA 4 Cb 1.28 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3fgo h ALA 4 CO 0.44 -0.34 -0.05 1.12 0.00 0.00 0.00 179.25 180.43 3fgo h HIS 5 N 0.56 0.00 -0.00 0.00 2.07 -1.90 -2.44 115.15 113.44 3fgo h HIS 5 Ca 0.56 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.08 3fgo h HIS 5 Cb 1.16 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.14 3fgo h HIS 5 CO -0.00 0.05 -0.75 -1.13 -3.07 0.00 0.00 177.93 173.02 3fgo n SER 6 N -3.40 0.91 -4.87 3.10 3.41 -0.50 -0.52 113.62 111.75 3fgo n SER 6 Ca -0.02 -0.78 -0.31 0.00 -0.26 0.00 0.00 58.87 57.50 3fgo n SER 6 Cb 0.18 0.66 -0.04 0.00 -0.26 0.00 0.00 64.21 64.75 3fgo n SER 6 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3fgo s LYS 7 N -2.93 3.81 0.85 4.33 1.02 -0.92 -4.60 119.74 121.30 3fgo s LYS 7 Ca 0.11 0.38 -0.11 0.00 0.02 0.00 0.00 55.97 56.37 3fgo s LYS 7 Cb 0.17 -2.51 0.11 0.00 -0.52 0.00 0.00 37.83 35.08 3fgo s LYS 7 CO 0.77 0.14 1.10 -1.54 -0.92 0.00 0.00 175.35 174.89 3fgo s SER 8 N -2.78 3.75 0.19 2.83 1.04 -1.26 -4.51 113.70 112.96 3fgo s SER 8 Ca 0.50 1.75 -0.12 0.00 0.48 0.00 0.00 55.95 58.56 3fgo s SER 8 Cb -0.11 -2.40 0.22 0.00 0.10 0.00 0.00 66.02 63.84 3fgo s SER 8 CO 0.26 -2.50 1.72 0.71 0.98 0.00 0.00 173.24 174.40 3fgo h THR 9 N -1.45 0.73 -0.48 2.02 1.35 -1.90 -1.74 112.91 111.43 3fgo h THR 9 Ca -0.46 -0.10 -0.04 0.00 -0.55 0.00 0.00 66.41 65.26 3fgo h THR 9 Cb 1.26 0.42 -0.02 0.00 -1.73 0.00 0.00 68.15 68.08 3fgo h THR 9 CO 0.51 0.05 0.13 1.05 -0.25 0.00 0.00 175.52 177.01 3fgo h GLU 10 N 0.29 0.72 -0.25 4.72 9.09 -1.98 -1.31 114.58 125.85 3fgo h GLU 10 Ca 0.27 -0.13 -0.09 0.00 0.05 0.00 0.00 59.36 59.46 3fgo h GLU 10 Cb 0.35 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 27.32 3fgo h GLU 10 CO -0.32 0.64 -0.24 0.93 0.05 0.00 0.00 179.01 180.07 3fgo h GLU 11 N 0.70 0.47 -0.21 1.06 5.08 -1.83 -0.61 114.58 119.22 3fgo h GLU 11 Ca 0.16 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3fgo h GLU 11 Cb 0.24 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3fgo h GLU 11 CO -0.01 0.68 0.08 0.00 -1.00 0.00 0.00 179.01 178.76 3fgo h LEU 13 N 0.18 0.58 -0.82 0.00 3.38 -1.07 -2.77 115.31 114.80 3fgo h LEU 13 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3fgo h LEU 13 Cb 0.20 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3fgo h LEU 13 CO -0.00 0.41 0.47 0.00 0.09 0.00 0.00 178.44 179.41 3fgo h ALA 14 N 1.25 1.05 -1.07 1.53 0.00 -0.90 0.27 119.26 121.39 3fgo h ALA 14 Ca 0.23 -0.11 0.29 0.00 0.00 0.00 0.00 54.91 55.32 3fgo h ALA 14 Cb 0.01 -0.33 -0.08 0.00 0.00 0.00 0.00 17.79 17.39 3fgo h ALA 14 CO -0.09 0.54 0.71 -0.92 0.00 0.00 0.00 179.25 179.49 3fgo h TYR 15 N 1.14 0.46 0.00 0.00 5.03 -0.56 -1.47 116.97 121.56 3fgo h TYR 15 Ca 0.29 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.62 3fgo h TYR 15 Cb -0.01 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.14 3fgo h TYR 15 CO 0.00 0.04 -0.97 1.19 -1.32 0.00 0.00 178.16 177.09 3fgo n PHE 16 N -4.50 0.00 -3.04 -3.82 3.01 -0.81 -5.03 117.46 103.27 3fgo n PHE 16 Ca 0.25 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.58 3fgo n PHE 16 Cb 0.98 -0.11 0.06 0.00 -0.01 0.00 0.00 39.48 40.40 3fgo n PHE 16 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3fgo n GLY 17 N 1.46 -0.75 3.06 1.37 0.00 0.88 -5.03 105.19 106.18 3fgo n GLY 17 Ca 0.01 0.38 -0.17 0.00 0.00 0.00 0.00 46.02 46.24 3fgo n GLY 17 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fgo s VAL 18 N -3.33 0.73 0.02 1.61 -7.23 -1.13 -5.03 120.40 106.05 3fgo s VAL 18 Ca 0.32 -0.73 -0.25 0.00 -1.81 0.00 0.00 61.98 59.51 3fgo s VAL 18 Cb -0.04 -0.68 -0.05 0.00 0.56 0.00 0.00 36.38 36.17 3fgo s VAL 18 CO 0.63 -0.03 0.76 -0.55 -0.31 0.00 0.00 175.10 175.60 3fgo s SER 19 N -0.85 7.16 0.45 4.85 0.15 -1.26 -4.73 113.70 119.47 3fgo s SER 19 Ca -0.01 1.40 0.13 0.00 0.70 0.00 0.00 55.95 58.17 3fgo s SER 19 Cb -0.06 -2.46 1.05 0.00 -1.71 0.00 0.00 66.02 62.84 3fgo s SER 19 CO 0.00 -0.03 2.04 -0.08 1.20 0.00 0.00 173.24 176.38 3fgo h GLU 20 N 5.98 0.33 -0.88 5.44 4.81 -1.98 -0.60 114.58 127.69 3fgo h GLU 20 Ca -0.43 -0.02 -0.58 0.00 -0.13 0.00 0.00 59.36 58.19 3fgo h GLU 20 Cb 1.20 -0.07 -0.31 0.00 0.63 0.00 0.00 28.75 30.20 3fgo h GLU 20 CO 0.72 0.22 0.35 0.25 -0.73 0.00 0.00 179.01 179.82 3fgo n THR 21 N -4.48 3.22 0.00 0.32 -2.24 -1.26 -4.47 114.28 105.38 3fgo n THR 21 Ca 0.05 -3.12 0.00 0.00 -2.27 0.00 0.00 64.05 58.71 3fgo n THR 21 Cb 0.23 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 3fgo n THR 21 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3fgo n THR 22 N -0.91 0.00 -1.44 4.28 -1.04 -0.98 -5.09 114.28 109.09 3fgo n THR 22 Ca 0.55 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.56 3fgo n THR 22 Cb 0.88 -0.18 0.00 0.00 -1.82 0.00 0.00 70.33 69.21 3fgo n THR 22 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fgo n GLY 23 N 0.15 -2.24 3.77 3.41 0.00 -0.27 -2.07 105.19 107.94 3fgo n GLY 23 Ca 0.00 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 44.15 3fgo n GLY 23 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fgo s LEU 24 N 0.00 3.76 0.61 0.99 1.43 -1.26 -4.04 118.68 120.18 3fgo s LEU 24 Ca 0.00 2.26 -0.13 0.00 -1.03 0.00 0.00 54.13 55.23 3fgo s LEU 24 Cb 0.00 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 3fgo s LEU 24 CO 0.00 -1.28 1.03 0.42 0.23 0.00 0.00 176.35 176.75 3fgo s THR 25 N -1.68 4.36 0.30 5.49 -4.23 -1.26 -0.84 115.64 117.78 3fgo s THR 25 Ca 0.73 0.91 0.06 0.00 -1.18 0.00 0.00 61.69 62.21 3fgo s THR 25 Cb -0.27 -3.64 0.30 0.00 1.34 0.00 0.00 72.50 70.23 3fgo s THR 25 CO 0.30 -0.86 1.74 -0.65 -0.54 0.00 0.00 174.62 174.62 3fgo h PRO 26 N 0.03 0.60 -0.18 3.99 0.11 -1.98 0.63 132.00 135.22 3fgo h PRO 26 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3fgo h PRO 26 Cb 1.20 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3fgo h PRO 26 CO 0.60 0.40 0.06 -0.44 -0.21 0.00 0.00 178.00 178.41 3fgo h ASP 27 N 0.62 0.25 -0.74 -2.05 3.32 -1.99 -0.40 116.42 115.42 3fgo h ASP 27 Ca 0.59 -0.18 0.08 0.00 0.02 0.00 0.00 57.03 57.54 3fgo h ASP 27 Cb 1.04 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 40.45 3fgo h ASP 27 CO -0.44 0.36 0.40 1.56 -1.72 0.00 0.00 179.24 179.41 3fgo h GLN 28 N 0.12 0.68 -0.25 3.56 4.20 -1.71 0.26 115.11 121.97 3fgo h GLN 28 Ca 0.06 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3fgo h GLN 28 Cb 0.20 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3fgo h GLN 28 CO -0.00 0.45 0.12 0.28 -0.67 0.00 0.00 178.83 179.01 3fgo h VAL 29 N 0.70 1.14 -0.59 -0.54 2.07 -0.55 0.17 116.25 118.65 3fgo h VAL 29 Ca 0.35 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 3fgo h VAL 29 Cb 0.31 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3fgo h VAL 29 CO -0.24 0.14 0.30 0.50 0.02 0.00 0.00 177.57 178.30 3fgo h LYS 30 N 0.27 0.85 -0.45 1.57 3.64 -0.36 0.19 116.57 122.27 3fgo h LYS 30 Ca 0.09 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3fgo h LYS 30 Cb 0.12 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3fgo h LYS 30 CO -0.01 0.67 0.16 -0.09 -2.27 0.00 0.00 179.45 177.91 3fgo h ARG 31 N 0.81 0.68 -0.15 1.90 9.65 -0.10 -1.48 114.38 125.68 3fgo h ARG 31 Ca 0.21 -0.13 -0.15 0.00 -1.10 0.00 0.00 59.98 58.80 3fgo h ARG 31 Cb 0.09 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 3fgo h ARG 31 CO -0.03 0.64 -0.55 0.45 2.80 0.00 0.00 179.97 183.28 3fgo h HIS 32 N 0.58 0.57 -0.05 2.20 3.86 -0.43 -1.64 115.15 120.24 3fgo h HIS 32 Ca 0.15 -0.20 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 3fgo h HIS 32 Cb 0.22 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.58 3fgo h HIS 32 CO 0.01 0.90 -0.04 1.25 0.86 0.00 0.00 177.93 180.91 3fgo h LEU 33 N 0.35 0.06 0.00 2.43 5.85 -0.39 0.29 115.31 123.91 3fgo h LEU 33 Ca 0.01 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 3fgo h LEU 33 Cb 1.07 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 42.09 3fgo h LEU 33 CO 0.10 0.12 -0.31 -0.33 -0.34 0.00 0.00 178.44 177.68 3fgo h GLU 34 N 0.07 0.20 -0.54 1.25 5.08 -0.83 -2.69 114.58 117.13 3fgo h GLU 34 Ca 0.02 -0.22 -0.11 0.00 -1.00 0.00 0.00 59.36 58.05 3fgo h GLU 34 Cb 0.12 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3fgo h GLU 34 CO 0.01 0.96 -0.08 -0.22 -1.00 0.00 0.00 179.01 178.67 3fgo h LYS 35 N -0.46 1.00 -0.01 2.33 3.64 -1.00 -3.35 116.57 118.73 3fgo h LYS 35 Ca -0.04 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3fgo h LYS 35 Cb 1.07 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3fgo h LYS 35 CO 0.06 1.04 -0.26 0.66 -2.27 0.00 0.00 179.45 178.69 3fgo n TYR 36 N -4.19 0.00 -0.78 1.91 4.02 0.06 -5.10 117.16 113.09 3fgo n TYR 36 Ca 0.01 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.01 3fgo n TYR 36 Cb 0.39 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.68 3fgo n TYR 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fgo n GLY 37 N 0.96 -1.88 3.80 2.72 0.00 -1.01 -4.89 105.19 104.88 3fgo n GLY 37 Ca 0.04 -1.31 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 3fgo n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fgo s HIS 38 N -2.05 2.87 -1.23 1.61 3.76 -1.26 -4.77 115.29 114.22 3fgo s HIS 38 Ca 0.00 1.29 -0.13 0.00 -0.15 0.00 0.00 55.06 56.08 3fgo s HIS 38 Cb 0.00 -3.03 0.17 0.00 1.11 0.00 0.00 32.58 30.83 3fgo s HIS 38 CO 0.00 -1.63 1.56 -1.71 -0.85 0.00 0.00 174.74 172.12 3fgo n ASN 39 N -3.37 5.18 -3.52 1.40 5.15 0.10 -4.32 115.26 115.89 3fgo n ASN 39 Ca 0.07 -3.01 -0.12 0.00 -0.60 0.00 0.00 54.58 50.92 3fgo n ASN 39 Cb 0.55 -1.55 -0.04 0.00 -0.53 0.00 0.00 39.78 38.21 3fgo n ASN 39 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 3fgo s GLU 40 N 1.32 1.16 -0.09 1.20 -1.05 -1.26 -3.94 118.70 116.02 3fgo s GLU 40 Ca 0.42 -0.44 -0.17 0.00 -0.15 0.00 0.00 54.97 54.64 3fgo s GLU 40 Cb 0.01 0.53 -0.05 0.00 -0.44 0.00 0.00 34.13 34.18 3fgo s GLU 40 CO 0.00 -0.47 0.43 -0.51 0.95 0.00 0.00 175.26 175.67 3fgo s LEU 41 N -2.50 4.32 0.71 1.83 1.43 -1.26 -4.22 118.68 119.00 3fgo s LEU 41 Ca -0.01 0.81 -0.16 0.00 -1.03 0.00 0.00 54.13 53.74 3fgo s LEU 41 Cb -0.00 -2.62 0.01 0.00 0.03 0.00 0.00 46.19 43.61 3fgo s LEU 41 CO -0.09 0.10 1.09 -2.65 0.23 0.00 0.00 176.35 175.03 3fgo n PRO 42 N 3.18 0.62 -3.58 1.29 -0.02 -1.26 -5.01 135.00 130.21 3fgo n PRO 42 Ca -0.09 0.27 -0.25 0.00 -2.02 0.00 0.00 63.50 61.41 3fgo n PRO 42 Cb 0.52 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.64 3fgo n PRO 42 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fgo s ALA 43 N -1.75 3.78 -0.08 3.55 0.00 -1.26 -5.09 121.76 120.91 3fgo s ALA 43 Ca 0.76 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.80 3fgo s ALA 43 Cb -0.35 -2.01 0.02 0.00 0.00 0.00 0.00 23.12 20.78 3fgo s ALA 43 CO 0.48 0.18 -0.09 -2.00 0.00 0.00 0.00 175.76 174.33 3fgo s GLU 44 N -3.92 1.43 -0.12 0.00 2.12 -1.26 -5.05 118.70 111.90 3fgo s GLU 44 Ca 0.39 -0.27 -0.08 0.00 0.36 0.00 0.00 54.97 55.36 3fgo s GLU 44 Cb -0.10 -1.34 -0.03 0.00 0.26 0.00 0.00 34.13 32.92 3fgo s GLU 44 CO 0.32 -0.11 -0.16 0.39 -0.54 0.00 0.00 175.26 175.16 3fgo n GLU 45 N 4.32 0.38 -0.78 4.30 1.02 -1.26 -5.01 120.64 123.62 3fgo n GLU 45 Ca -0.19 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 3fgo n GLU 45 Cb 0.51 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 3fgo n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fgo n GLY 46 N 1.62 0.70 1.31 0.62 0.00 -1.26 -4.99 105.19 103.19 3fgo n GLY 46 Ca -0.06 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3fgo n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fgo n LYS 47 N -0.57 -3.73 -1.95 1.61 5.02 -1.26 -4.98 118.16 112.30 3fgo n LYS 47 Ca 0.00 2.75 -0.29 0.00 -2.02 0.00 0.00 58.31 58.76 3fgo n LYS 47 Cb 0.22 -3.07 0.09 0.00 -0.02 0.00 0.00 35.03 32.25 3fgo n LYS 47 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3fgo s SER 48 N -2.70 4.57 0.55 4.39 1.04 -1.26 -4.88 113.70 115.41 3fgo s SER 48 Ca 0.00 0.74 0.25 0.00 0.48 0.00 0.00 55.95 57.42 3fgo s SER 48 Cb 0.00 -1.26 1.46 0.00 0.10 0.00 0.00 66.02 66.32 3fgo s SER 48 CO 0.00 -1.85 2.05 0.17 0.98 0.00 0.00 173.24 174.59 3fgo h LEU 49 N -0.98 0.00 0.04 2.42 8.10 -1.98 -1.62 115.31 121.29 3fgo h LEU 49 Ca -0.46 0.00 0.02 0.00 0.11 0.00 0.00 57.88 57.56 3fgo h LEU 49 Cb 1.33 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.51 3fgo h LEU 49 CO 0.65 0.00 -0.19 -0.50 -4.11 0.00 0.00 178.44 174.29 3fgo h TRP 50 N 0.00 -0.51 -0.01 0.17 6.55 -1.99 -1.69 115.95 118.47 3fgo h TRP 50 Ca 0.16 0.01 -0.17 0.00 0.95 0.00 0.00 58.89 59.84 3fgo h TRP 50 Cb 0.70 0.22 -0.02 0.00 -0.86 0.00 0.00 29.16 29.20 3fgo h TRP 50 CO 0.00 -0.28 -0.78 0.93 -1.05 0.00 0.00 178.44 177.27 3fgo h GLU 51 N -0.33 0.10 0.00 0.49 5.08 -1.68 -2.15 114.58 116.08 3fgo h GLU 51 Ca 0.05 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3fgo h GLU 51 Cb 0.39 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3fgo h GLU 51 CO -0.15 0.82 0.00 -0.07 -1.00 0.00 0.00 179.01 178.61 3fgo h LEU 52 N 0.06 0.00 0.07 1.33 3.38 -1.31 -1.48 115.31 117.36 3fgo h LEU 52 Ca -0.02 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.60 3fgo h LEU 52 Cb 1.36 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.08 3fgo h LEU 52 CO 0.11 0.00 -1.98 0.52 0.09 0.00 0.00 178.44 177.18 3fgo n VAL 53 N -2.74 1.69 0.01 1.22 0.31 -0.65 -3.58 118.33 114.59 3fgo n VAL 53 Ca 0.02 -0.70 -0.07 0.00 -0.01 0.00 0.00 64.34 63.58 3fgo n VAL 53 Cb 0.35 -1.45 0.10 0.00 -0.91 0.00 0.00 33.84 31.92 3fgo n VAL 53 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3fgo h ILE 54 N 0.04 1.31 0.00 2.52 5.03 -1.35 -2.59 117.51 122.47 3fgo h ILE 54 Ca -0.41 -1.64 -0.03 0.00 -0.12 0.00 0.00 64.86 62.66 3fgo h ILE 54 Cb 2.03 1.63 -0.00 0.00 -3.03 0.00 0.00 36.82 37.45 3fgo h ILE 54 CO 0.07 0.51 -0.16 -0.33 -0.68 0.00 0.00 178.15 177.56 3fgo h GLU 55 N 0.43 0.00 0.00 2.37 5.08 -1.43 -2.37 114.58 118.65 3fgo h GLU 55 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3fgo h GLU 55 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3fgo h GLU 55 CO 0.08 0.16 0.00 1.96 -1.00 0.00 0.00 179.01 180.22 3fgo h GLN 56 N 0.00 0.00 -0.00 2.33 1.08 -1.51 -2.16 115.11 114.84 3fgo h GLN 56 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3fgo h GLN 56 Cb 0.45 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 3fgo h GLN 56 CO 0.02 0.00 -0.48 1.19 -0.95 0.00 0.00 178.83 178.61 3fgo n PHE 57 N -3.01 0.00 0.39 2.96 3.72 -0.91 -4.50 117.46 116.11 3fgo n PHE 57 Ca -0.02 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.52 3fgo n PHE 57 Cb 0.14 0.00 0.52 0.00 -0.94 0.00 0.00 39.48 39.19 3fgo n PHE 57 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3fgo h GLU 58 N 0.77 0.00 -6.60 -1.08 5.08 -1.25 -3.38 114.58 108.12 3fgo h GLU 58 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 3fgo h GLU 58 Cb 0.40 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 3fgo h GLU 58 CO 0.00 0.00 0.01 0.16 -1.00 0.00 0.00 179.01 178.18 3fgo s ASP 59 N -4.77 6.72 0.07 1.42 1.47 -1.26 -4.96 116.67 115.36 3fgo s ASP 59 Ca 0.04 1.14 -0.26 0.00 1.18 0.00 0.00 52.55 54.66 3fgo s ASP 59 Cb 0.09 -2.31 -0.16 0.00 -0.34 0.00 0.00 42.92 40.19 3fgo s ASP 59 CO 0.47 -0.14 1.64 0.25 0.68 0.00 0.00 175.17 178.07 3fgo h LEU 60 N 2.42 -0.21 -1.74 2.11 5.85 -1.85 -2.37 115.31 119.53 3fgo h LEU 60 Ca -0.47 -0.04 0.23 0.00 0.84 0.00 0.00 57.88 58.44 3fgo h LEU 60 Cb 1.17 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 3fgo h LEU 60 CO 0.67 -0.09 0.62 0.25 -0.34 0.00 0.00 178.44 179.54 3fgo h LEU 61 N -0.31 0.21 0.03 2.25 7.12 -1.89 0.58 115.31 123.30 3fgo h LEU 61 Ca -0.03 0.03 -0.22 0.00 0.13 0.00 0.00 57.88 57.79 3fgo h LEU 61 Cb 0.24 -0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.33 3fgo h LEU 61 CO 0.04 0.08 -1.06 0.58 -0.13 0.00 0.00 178.44 177.95 3fgo h VAL 62 N 0.21 1.67 0.18 1.05 2.07 -1.75 -3.16 116.25 116.50 3fgo h VAL 62 Ca 0.45 -3.34 -0.01 0.00 0.82 0.00 0.00 66.70 64.62 3fgo h VAL 62 Cb 1.44 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 34.08 3fgo h VAL 62 CO -0.10 0.96 -0.08 0.03 0.02 0.00 0.00 177.57 178.39 3fgo h ARG 63 N 0.02 -0.23 -0.38 1.57 3.08 0.51 -0.51 114.38 118.44 3fgo h ARG 63 Ca -0.04 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.10 3fgo h ARG 63 Cb 1.82 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 31.83 3fgo h ARG 63 CO 0.15 -0.09 -0.36 0.82 -1.07 0.00 0.00 179.97 179.41 3fgo h ILE 64 N -0.31 0.19 -0.12 2.04 1.08 -1.22 0.36 117.51 119.53 3fgo h ILE 64 Ca -0.02 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.41 3fgo h ILE 64 Cb 0.24 0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.17 3fgo h ILE 64 CO 0.04 0.00 -0.09 0.25 -0.69 0.00 0.00 178.15 177.66 3fgo h LEU 65 N -0.29 0.17 0.10 1.44 5.85 -1.50 -0.64 115.31 120.44 3fgo h LEU 65 Ca 0.15 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3fgo h LEU 65 Cb 0.56 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3fgo h LEU 65 CO -0.54 0.29 -0.05 0.25 -0.34 0.00 0.00 178.44 178.06 3fgo h LEU 66 N 0.18 -0.12 -0.86 2.25 5.85 0.33 -1.49 115.31 121.45 3fgo h LEU 66 Ca 0.04 -0.41 0.17 0.00 0.84 0.00 0.00 57.88 58.52 3fgo h LEU 66 Cb 0.28 0.03 -0.16 0.00 0.37 0.00 0.00 40.66 41.18 3fgo h LEU 66 CO 0.02 0.38 -0.22 0.25 -0.34 0.00 0.00 178.44 178.53 3fgo h LEU 67 N -0.66 -0.82 -0.35 2.25 5.85 -0.05 -0.99 115.31 120.54 3fgo h LEU 67 Ca -0.01 0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.99 3fgo h LEU 67 Cb 0.52 0.54 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3fgo h LEU 67 CO 0.02 -0.28 0.15 0.00 -0.34 0.00 0.00 178.44 177.99 3fgo h ALA 68 N 1.83 0.42 0.00 1.25 0.00 -0.89 -2.06 119.26 119.81 3fgo h ALA 68 Ca 0.41 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 3fgo h ALA 68 Cb 0.63 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3fgo h ALA 68 CO -0.88 -0.23 -0.02 0.00 0.00 0.00 0.00 179.25 178.12 3fgo h ALA 69 N 1.20 1.33 0.02 0.00 0.00 -0.11 0.45 119.26 122.15 3fgo h ALA 69 Ca 0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3fgo h ALA 69 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3fgo h ALA 69 CO -0.12 0.02 -0.01 0.00 0.00 0.00 0.00 179.25 179.14 3fgo h ILE 71 N -0.99 0.44 -0.73 0.00 2.04 -0.83 0.57 117.51 118.00 3fgo h ILE 71 Ca -0.00 -0.01 0.10 0.00 1.00 0.00 0.00 64.86 65.94 3fgo h ILE 71 Cb 0.47 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 3fgo h ILE 71 CO 0.00 0.01 0.37 -1.28 0.00 0.00 0.00 178.15 177.26 3fgo h SER 72 N 0.03 0.50 0.01 1.72 0.87 -0.22 -1.07 113.55 115.38 3fgo h SER 72 Ca 0.29 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.91 3fgo h SER 72 Cb 0.46 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 3fgo h SER 72 CO -0.58 0.28 -0.00 0.15 -0.53 0.00 0.00 176.83 176.15 3fgo h PHE 73 N 0.63 -0.01 -0.95 2.24 3.04 -0.34 -2.07 116.94 119.49 3fgo h PHE 73 Ca 0.36 -0.00 0.22 0.00 3.98 0.00 0.00 57.97 62.54 3fgo h PHE 73 Cb 0.38 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 38.82 3fgo h PHE 73 CO -0.10 0.44 0.62 0.28 -2.02 0.00 0.00 178.31 177.53 3fgo h VAL 74 N -0.46 0.63 0.39 1.41 2.07 0.30 0.15 116.25 120.74 3fgo h VAL 74 Ca -0.00 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3fgo h VAL 74 Cb 0.45 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3fgo h VAL 74 CO 0.00 0.07 -0.19 -0.07 0.02 0.00 0.00 177.57 177.40 3fgo h LEU 75 N 0.39 -0.44 -1.35 2.57 4.07 -1.04 -2.47 115.31 117.04 3fgo h LEU 75 Ca 0.50 0.02 0.25 0.00 0.08 0.00 0.00 57.88 58.73 3fgo h LEU 75 Cb 1.29 0.11 -0.09 0.00 1.08 0.00 0.00 40.66 43.06 3fgo h LEU 75 CO -0.20 -0.12 0.65 0.00 -1.08 0.00 0.00 178.44 177.69 3fgo h ALA 76 N -1.37 2.18 -0.19 1.53 0.00 -1.01 0.28 119.26 120.68 3fgo h ALA 76 Ca -0.05 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3fgo h ALA 76 Cb 0.40 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3fgo h ALA 76 CO 0.09 -0.57 -0.13 2.35 0.00 0.00 0.00 179.25 180.99 3fgo h TRP 77 N 0.43 0.51 -0.92 0.00 2.91 -0.77 -2.69 115.95 115.42 3fgo h TRP 77 Ca 0.58 -0.14 -0.60 0.00 1.13 0.00 0.00 58.89 59.86 3fgo h TRP 77 Cb 1.41 -0.11 -0.27 0.00 -0.51 0.00 0.00 29.16 29.67 3fgo h TRP 77 CO -0.00 0.76 0.77 1.19 -1.03 0.00 0.00 178.44 180.12 3fgo n PHE 78 N -4.52 2.94 -3.02 2.65 3.01 -0.53 -4.94 117.46 113.05 3fgo n PHE 78 Ca -0.05 -2.67 -0.40 0.00 1.01 0.00 0.00 57.45 55.35 3fgo n PHE 78 Cb 0.35 -1.29 -0.05 0.00 -0.01 0.00 0.00 39.48 38.48 3fgo n PHE 78 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3fgo s GLU 79 N -3.42 4.46 0.83 -1.08 2.56 0.88 -4.93 118.70 118.01 3fgo s GLU 79 Ca 0.58 1.00 -0.15 0.00 0.00 0.00 0.00 54.97 56.40 3fgo s GLU 79 Cb 0.46 -3.37 -0.05 0.00 2.00 0.00 0.00 34.13 33.17 3fgo s GLU 79 CO 0.01 0.26 0.15 -1.91 -0.56 0.00 0.00 175.26 173.22 3fgo n GLU 80 N 2.93 0.02 -0.39 4.30 4.07 -1.26 -4.67 120.64 125.64 3fgo n GLU 80 Ca -0.03 0.04 -0.08 0.00 -0.06 0.00 0.00 57.16 57.03 3fgo n GLU 80 Cb 0.50 -1.59 -0.03 0.00 -0.06 0.00 0.00 31.44 30.26 3fgo n GLU 80 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3fgo n GLY 81 N 2.06 2.09 0.10 8.31 0.00 -1.26 -4.10 105.19 112.38 3fgo n GLY 81 Ca 0.06 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3fgo n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fgo n GLU 82 N 3.64 0.00 -3.08 1.61 1.02 -1.26 -4.95 120.64 117.62 3fgo n GLU 82 Ca 0.20 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.18 3fgo n GLU 82 Cb 0.20 -0.16 -0.01 0.00 -0.02 0.00 0.00 31.44 31.45 3fgo n GLU 82 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3fgo n GLU 83 N -1.84 1.00 0.00 3.49 4.71 -1.26 -4.88 120.64 121.85 3fgo n GLU 83 Ca 0.00 -3.21 0.04 0.00 -0.01 0.00 0.00 57.16 53.98 3fgo n GLU 83 Cb 0.00 -1.57 0.26 0.00 -1.01 0.00 0.00 31.44 29.12 3fgo n GLU 83 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3fgo n THR 84 N 0.24 0.00 -0.04 2.62 -2.24 -1.26 -1.93 114.28 111.66 3fgo n THR 84 Ca 0.21 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.89 3fgo n THR 84 Cb 0.68 -0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 68.26 3fgo n THR 84 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3fgo h ILE 85 N 0.00 1.11 -0.34 2.28 2.10 -1.96 -3.33 117.51 117.38 3fgo h ILE 85 Ca 0.00 -0.31 -0.26 0.00 1.08 0.00 0.00 64.86 65.37 3fgo h ILE 85 Cb 0.00 0.99 -0.26 0.00 -1.09 0.00 0.00 36.82 36.46 3fgo h ILE 85 CO 0.00 0.11 -0.77 0.35 -1.08 0.00 0.00 178.15 176.75 3fgo n THR 86 N -4.90 1.92 -0.01 2.19 -2.24 -0.81 -4.65 114.28 105.78 3fgo n THR 86 Ca -0.04 -3.28 -0.10 0.00 -2.27 0.00 0.00 64.05 58.36 3fgo n THR 86 Cb 0.08 -0.21 -0.14 0.00 -2.10 0.00 0.00 70.33 67.96 3fgo n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fgo h ALA 87 N 1.66 0.67 0.00 6.98 0.00 -1.59 -3.35 119.26 123.63 3fgo h ALA 87 Ca 0.09 -1.39 0.00 0.00 0.00 0.00 0.00 54.91 53.61 3fgo h ALA 87 Cb 1.35 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.59 3fgo h ALA 87 CO 0.32 1.51 0.00 1.19 0.00 0.00 0.00 179.25 182.27 3fgo n PHE 88 N -3.14 0.00 -0.10 0.00 3.01 -1.26 -3.76 117.46 112.21 3fgo n PHE 88 Ca -0.17 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.19 3fgo n PHE 88 Cb 1.04 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.49 3fgo n PHE 88 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3fgo h VAL 89 N 0.00 1.18 -0.56 -4.37 2.07 -1.90 -2.20 116.25 110.47 3fgo h VAL 89 Ca 0.00 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.02 3fgo h VAL 89 Cb 0.00 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 3fgo h VAL 89 CO 0.00 0.19 0.30 -0.08 0.02 0.00 0.00 177.57 178.00 3fgo h GLU 90 N 0.33 0.56 -0.33 1.57 4.81 -1.86 -0.23 114.58 119.43 3fgo h GLU 90 Ca 0.10 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 3fgo h GLU 90 Cb 0.18 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3fgo h GLU 90 CO -0.01 0.37 -0.15 -1.35 -0.73 0.00 0.00 179.01 177.14 3fgo h PRO 91 N 0.58 0.69 0.00 0.92 0.11 -1.79 -2.68 132.00 129.84 3fgo h PRO 91 Ca 0.25 -0.30 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3fgo h PRO 91 Cb 0.13 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.22 3fgo h PRO 91 CO -0.16 0.90 0.00 1.19 -0.21 0.00 0.00 178.00 179.72 3fgo n PHE 92 N -4.35 0.00 -0.10 0.65 3.72 -0.83 -1.04 117.46 115.51 3fgo n PHE 92 Ca -0.03 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.15 3fgo n PHE 92 Cb 0.39 -0.44 -0.12 0.00 -0.94 0.00 0.00 39.48 38.37 3fgo n PHE 92 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3fgo n VAL 93 N -1.44 1.55 -0.10 -4.37 0.31 -0.13 -3.07 118.33 111.08 3fgo n VAL 93 Ca 0.07 -0.08 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 3fgo n VAL 93 Cb 0.24 -2.02 0.01 0.00 -0.91 0.00 0.00 33.84 31.17 3fgo n VAL 93 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3fgo h ILE 94 N -0.92 0.50 -0.53 2.52 2.04 -1.38 -0.94 117.51 118.80 3fgo h ILE 94 Ca -0.36 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.54 3fgo h ILE 94 Cb 1.37 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 3fgo h ILE 94 CO -0.20 0.00 0.28 0.25 0.00 0.00 0.00 178.15 178.48 3fgo h LEU 95 N -0.09 0.40 -1.68 1.44 5.85 -1.27 -1.59 115.31 118.38 3fgo h LEU 95 Ca 0.18 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 3fgo h LEU 95 Cb 0.37 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3fgo h LEU 95 CO -0.43 0.27 -0.19 0.25 -0.34 0.00 0.00 178.44 178.01 3fgo h LEU 96 N 0.53 0.00 -0.01 2.25 5.85 -1.27 -0.93 115.31 121.74 3fgo h LEU 96 Ca 0.23 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 3fgo h LEU 96 Cb 0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3fgo h LEU 96 CO -0.16 0.19 -0.23 0.40 -0.34 0.00 0.00 178.44 178.30 3fgo h ILE 97 N 0.00 1.53 -0.83 4.05 1.08 -0.64 -1.11 117.51 121.59 3fgo h ILE 97 Ca -0.00 -1.87 0.21 0.00 -0.39 0.00 0.00 64.86 62.80 3fgo h ILE 97 Cb 0.37 2.69 -0.13 0.00 -3.07 0.00 0.00 36.82 36.68 3fgo h ILE 97 CO 0.02 0.51 0.20 -0.07 -0.69 0.00 0.00 178.15 178.13 3fgo h LEU 98 N -0.48 -0.02 0.46 1.44 4.07 -0.77 0.14 115.31 120.16 3fgo h LEU 98 Ca -0.03 0.18 -0.02 0.00 0.08 0.00 0.00 57.88 58.09 3fgo h LEU 98 Cb 0.96 0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.96 3fgo h LEU 98 CO 0.05 -0.12 -0.22 0.40 -1.08 0.00 0.00 178.44 177.46 3fgo h ILE 99 N 0.22 0.00 -0.81 1.22 2.04 -1.12 -0.97 117.51 118.10 3fgo h ILE 99 Ca 0.50 -0.18 0.17 0.00 1.00 0.00 0.00 64.86 66.35 3fgo h ILE 99 Cb 0.96 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.94 3fgo h ILE 99 CO -0.62 0.00 0.33 0.00 0.00 0.00 0.00 178.15 177.86 3fgo h ALA 100 N -1.54 1.18 -0.29 1.87 0.00 -0.98 0.81 119.26 120.32 3fgo h ALA 100 Ca -0.06 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3fgo h ALA 100 Cb 0.48 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3fgo h ALA 100 CO 0.10 -0.25 -0.23 -0.91 0.00 0.00 0.00 179.25 177.97 3fgo h ASN 101 N 0.43 0.54 -0.21 0.00 2.35 -0.79 -1.41 115.58 116.50 3fgo h ASN 101 Ca 0.46 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 56.01 3fgo h ASN 101 Cb 0.76 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 3fgo h ASN 101 CO -0.45 0.77 0.04 0.00 -1.65 0.00 0.00 177.43 176.14 3fgo h ALA 102 N 1.27 0.28 -0.04 -0.83 0.00 0.55 -0.11 119.26 120.39 3fgo h ALA 102 Ca 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3fgo h ALA 102 Cb 0.66 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3fgo h ALA 102 CO 0.05 -0.05 -0.06 -0.84 0.00 0.00 0.00 179.25 178.35 3fgo h ILE 103 N 0.15 1.40 -1.06 0.00 3.07 -1.27 -2.04 117.51 117.76 3fgo h ILE 103 Ca 0.07 -1.29 0.31 0.00 1.55 0.00 0.00 64.86 65.49 3fgo h ILE 103 Cb 0.30 2.17 -0.04 0.00 -0.27 0.00 0.00 36.82 38.98 3fgo h ILE 103 CO 0.00 0.35 0.79 0.58 -1.05 0.00 0.00 178.15 178.82 3fgo h VAL 104 N -0.37 0.43 -0.17 0.16 2.07 -1.26 0.13 116.25 117.24 3fgo h VAL 104 Ca 0.00 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.32 3fgo h VAL 104 Cb 0.60 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3fgo h VAL 104 CO 0.01 0.00 -0.70 1.23 0.02 0.00 0.00 177.57 178.14 3fgo h GLY 105 N 0.00 0.78 0.38 2.17 0.00 -0.32 -2.99 103.07 103.09 3fgo h GLY 105 Ca 0.51 -1.04 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 3fgo h GLY 105 CO -0.01 0.92 -0.22 -2.08 0.00 0.00 0.00 176.54 175.16 3fgo h VAL 106 N 0.50 1.58 -0.40 4.60 2.07 -0.31 -3.35 116.25 120.94 3fgo h VAL 106 Ca -0.03 -2.01 0.08 0.00 0.82 0.00 0.00 66.70 65.57 3fgo h VAL 106 Cb 1.30 2.88 -0.09 0.00 -1.52 0.00 0.00 31.29 33.86 3fgo h VAL 106 CO 0.14 0.54 -0.32 -0.25 0.02 0.00 0.00 177.57 177.70 3fgo h TRP 107 N -0.59 -0.88 -0.08 1.57 7.01 -1.11 -0.63 115.95 121.23 3fgo h TRP 107 Ca -0.03 0.06 -0.05 0.00 2.11 0.00 0.00 58.89 60.98 3fgo h TRP 107 Cb 1.01 0.45 -0.03 0.00 -2.10 0.00 0.00 29.16 28.49 3fgo h TRP 107 CO 0.19 -0.38 0.06 0.00 -2.79 0.00 0.00 178.44 175.53 3fgo n GLN 108 N -5.42 1.11 0.00 2.65 10.64 -1.13 -3.15 117.38 122.09 3fgo n GLN 108 Ca 0.01 -0.26 0.00 0.00 -1.83 0.00 0.00 57.00 54.92 3fgo n GLN 108 Cb 0.34 -1.10 0.00 0.00 -0.86 0.00 0.00 30.24 28.61 3fgo n GLN 108 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 3fgo n GLU 109 N 0.60 0.00 -4.17 2.61 0.00 -0.80 -4.61 120.64 114.27 3fgo n GLU 109 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 57.16 56.87 3fgo n GLU 109 Cb 0.58 -0.01 -0.11 0.00 0.00 0.00 0.00 31.44 31.90 3fgo n GLU 109 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 3fgo s ARG 110 N 0.00 3.83 -0.22 5.31 3.52 -0.31 -5.05 118.95 126.03 3fgo s ARG 110 Ca 0.00 -0.41 -0.09 0.00 -0.13 0.00 0.00 55.73 55.10 3fgo s ARG 110 Cb 0.00 -3.09 -0.04 0.00 -1.56 0.00 0.00 34.95 30.26 3fgo s ARG 110 CO 0.00 0.28 0.11 1.21 -0.81 0.00 0.00 175.30 176.09 3fgo s ASN 111 N 0.31 5.77 -0.07 -2.12 2.47 -1.26 -4.96 114.94 115.08 3fgo s ASN 111 Ca 0.01 0.05 -0.19 0.00 0.42 0.00 0.00 52.86 53.15 3fgo s ASN 111 Cb -0.13 -2.02 -0.15 0.00 -1.45 0.00 0.00 41.25 37.50 3fgo s ASN 111 CO 0.01 0.10 0.74 0.00 -3.72 0.00 0.00 177.10 174.23 3fgo h ALA 112 N 7.27 -0.16 -1.94 1.71 0.00 -1.98 -3.44 119.26 120.71 3fgo h ALA 112 Ca -0.38 -0.24 -0.57 0.00 0.00 0.00 0.00 54.91 53.73 3fgo h ALA 112 Cb 1.17 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 3fgo h ALA 112 CO 0.67 -0.22 0.87 -1.83 0.00 0.00 0.00 179.25 178.74 3fgo s GLU 113 N -2.99 4.03 -0.06 0.00 -1.05 -1.26 -5.01 118.70 112.35 3fgo s GLU 113 Ca -0.12 1.09 -0.23 0.00 -0.15 0.00 0.00 54.97 55.55 3fgo s GLU 113 Cb -0.00 -3.77 -0.04 0.00 -0.44 0.00 0.00 34.13 29.88 3fgo s GLU 113 CO 0.44 -0.96 0.70 1.21 0.95 0.00 0.00 175.26 177.60 3fgo s ASN 114 N 1.90 7.00 0.25 0.83 3.04 -1.26 -4.88 114.94 121.81 3fgo s ASN 114 Ca 0.48 1.20 0.06 0.00 0.04 0.00 0.00 52.86 54.64 3fgo s ASN 114 Cb -0.13 -2.42 0.27 0.00 -1.54 0.00 0.00 41.25 37.44 3fgo s ASN 114 CO 0.18 -0.11 1.57 0.00 -3.04 0.00 0.00 177.10 175.70 3fgo h ALA 115 N 6.69 0.88 0.00 1.71 0.00 -1.91 -2.75 119.26 123.88 3fgo h ALA 115 Ca -0.41 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 53.93 3fgo h ALA 115 Cb 1.20 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3fgo h ALA 115 CO 0.75 0.75 -0.04 0.82 0.00 0.00 0.00 179.25 181.53 3fgo h ILE 116 N 0.12 1.02 0.03 0.00 2.04 -1.93 -1.55 117.51 117.24 3fgo h ILE 116 Ca -0.01 -0.14 -0.22 0.00 1.00 0.00 0.00 64.86 65.49 3fgo h ILE 116 Cb 1.12 1.08 0.02 0.00 -0.74 0.00 0.00 36.82 38.29 3fgo h ILE 116 CO 0.09 0.04 -0.86 -0.33 0.00 0.00 0.00 178.15 177.09 3fgo h GLU 117 N 0.00 0.53 -0.18 2.37 5.08 -1.89 -3.07 114.58 117.43 3fgo h GLU 117 Ca -0.00 -0.61 0.05 0.00 -1.00 0.00 0.00 59.36 57.80 3fgo h GLU 117 Cb 0.07 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3fgo h GLU 117 CO 0.01 1.23 0.15 0.00 -1.00 0.00 0.00 179.01 179.40 3fgo h ALA 118 N 0.32 1.99 0.00 3.43 0.00 -1.21 -1.23 119.26 122.56 3fgo h ALA 118 Ca -0.12 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 3fgo h ALA 118 Cb 1.56 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 3fgo h ALA 118 CO 0.17 -0.24 -0.67 1.25 0.00 0.00 0.00 179.25 179.76 3fgo h LEU 119 N 0.00 0.00 -1.72 0.00 5.85 -1.20 -2.93 115.31 115.31 3fgo h LEU 119 Ca 0.08 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3fgo h LEU 119 Cb 0.38 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 3fgo h LEU 119 CO -0.00 0.67 -0.01 0.11 -0.34 0.00 0.00 178.44 178.87 3fgo h LYS 120 N 0.00 0.00 -0.15 1.25 1.57 -1.16 -1.27 116.57 116.81 3fgo h LYS 120 Ca -0.01 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3fgo h LYS 120 Cb 1.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.62 3fgo h LYS 120 CO 0.09 0.01 0.62 0.93 -0.57 0.00 0.00 179.45 180.53 3fgo h GLU 121 N 0.00 0.00 -0.57 3.15 3.07 -1.53 0.11 114.58 118.81 3fgo h GLU 121 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3fgo h GLU 121 Cb 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 3fgo h GLU 121 CO 0.00 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.27 3fgo n TYR 122 N -2.92 0.75 -3.44 4.33 4.02 -0.48 -4.80 117.16 114.61 3fgo n TYR 122 Ca 0.02 -0.38 -0.43 0.00 -0.01 0.00 0.00 57.90 57.10 3fgo n TYR 122 Cb 0.70 -0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.93 3fgo n TYR 122 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3fgo s GLU 123 N -1.24 2.93 0.50 -0.72 2.02 0.02 -3.89 118.70 118.33 3fgo s GLU 123 Ca 0.44 -1.26 -0.23 0.00 0.02 0.00 0.00 54.97 53.94 3fgo s GLU 123 Cb 0.24 -4.04 -0.06 0.00 0.10 0.00 0.00 34.13 30.37 3fgo s GLU 123 CO 0.33 -0.93 1.37 -1.25 0.02 0.00 0.00 175.26 174.79 3fgo s PRO 124 N 1.63 3.42 0.09 0.39 0.05 -1.26 -4.93 135.00 134.40 3fgo s PRO 124 Ca 0.04 2.26 -0.23 0.00 0.05 0.00 0.00 61.00 63.12 3fgo s PRO 124 Cb -0.22 -2.44 -0.14 0.00 0.05 0.00 0.00 34.50 31.74 3fgo s PRO 124 CO 0.07 -0.97 1.73 1.49 0.05 0.00 0.00 177.00 179.37 3fgo h GLU 125 N 1.88 -0.03 -6.38 4.56 4.81 -1.96 -3.39 114.58 114.08 3fgo h GLU 125 Ca -0.51 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.11 3fgo h GLU 125 Cb 1.28 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 30.53 3fgo h GLU 125 CO 0.59 -0.02 -0.72 -1.64 -0.73 0.00 0.00 179.01 176.50 3fgo s MET 126 N -6.19 2.02 0.12 1.92 -1.94 -1.26 0.61 119.30 114.58 3fgo s MET 126 Ca -0.13 -1.38 0.03 0.00 -1.71 0.00 0.00 55.69 52.49 3fgo s MET 126 Cb 0.06 -2.09 -0.01 0.00 2.01 0.00 0.00 34.83 34.80 3fgo s MET 126 CO 0.66 0.40 0.09 0.41 -0.01 0.00 0.00 175.02 176.58 3fgo n GLY 127 N -0.22 3.66 2.96 -0.03 0.00 0.44 -4.60 105.19 107.40 3fgo n GLY 127 Ca -0.09 -1.77 -0.25 0.00 0.00 0.00 0.00 46.02 43.91 3fgo n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fgo s LYS 128 N -2.48 1.49 0.13 1.61 1.02 -1.26 -1.17 119.74 119.08 3fgo s LYS 128 Ca 0.13 -0.30 0.07 0.00 0.02 0.00 0.00 55.97 55.88 3fgo s LYS 128 Cb 0.01 -1.36 -0.04 0.00 -0.52 0.00 0.00 37.83 35.91 3fgo s LYS 128 CO 0.09 -0.09 -0.16 0.14 -0.92 0.00 0.00 175.35 174.42 3fgo s VAL 129 N 1.06 1.48 -0.23 3.17 -7.23 0.16 -1.94 120.40 116.86 3fgo s VAL 129 Ca -0.08 -1.73 -0.13 0.00 -1.81 0.00 0.00 61.98 58.23 3fgo s VAL 129 Cb -0.14 -1.59 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 3fgo s VAL 129 CO -0.01 -0.34 0.29 -0.31 -0.31 0.00 0.00 175.10 174.42 3fgo s TYR 130 N -1.97 3.32 0.38 2.82 1.51 0.02 0.27 117.35 123.70 3fgo s TYR 130 Ca 0.10 0.40 0.06 0.00 -1.01 0.00 0.00 57.07 56.61 3fgo s TYR 130 Cb -0.06 -2.43 -0.08 0.00 -0.11 0.00 0.00 41.96 39.29 3fgo s TYR 130 CO 0.04 -0.03 0.02 1.03 -1.11 0.00 0.00 175.55 175.50 3fgo s ARG 131 N 1.38 1.87 0.28 -0.62 0.52 -1.21 -4.01 118.95 117.15 3fgo s ARG 131 Ca 0.13 -2.05 0.11 0.00 -0.52 0.00 0.00 55.73 53.40 3fgo s ARG 131 Cb -0.15 -1.41 0.39 0.00 0.52 0.00 0.00 34.95 34.30 3fgo s ARG 131 CO 0.07 -0.09 1.62 0.00 0.02 0.00 0.00 175.30 176.93 3fgo h ALA 132 N 1.87 0.97 0.00 2.13 0.00 -0.40 -3.09 119.26 120.75 3fgo h ALA 132 Ca -0.43 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 53.94 3fgo h ALA 132 Cb 1.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3fgo h ALA 132 CO 0.78 0.74 0.00 0.38 0.00 0.00 0.00 179.25 181.15 3fgo h ASP 133 N 0.00 0.00 -4.25 0.00 -0.00 -1.87 -3.43 116.42 106.88 3fgo h ASP 133 Ca -0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 57.03 56.85 3fgo h ASP 133 Cb 1.08 0.00 -0.24 0.00 -0.00 0.00 0.00 39.33 40.17 3fgo h ASP 133 CO 0.08 0.00 -0.51 -0.13 -0.00 0.00 0.00 179.24 178.68 3fgo s ARG 134 N -3.66 0.30 0.24 4.15 0.52 -1.17 -5.04 118.95 114.30 3fgo s ARG 134 Ca 0.00 -0.01 0.16 0.00 -0.52 0.00 0.00 55.73 55.36 3fgo s ARG 134 Cb 0.09 0.14 0.04 0.00 0.52 0.00 0.00 34.95 35.74 3fgo s ARG 134 CO 0.42 -0.06 1.31 -0.22 0.02 0.00 0.00 175.30 176.77 3fgo h LYS 135 N 5.27 0.00 -7.04 3.54 1.63 -1.84 -3.38 116.57 114.75 3fgo h LYS 135 Ca -0.27 0.00 -0.48 0.00 -0.85 0.00 0.00 60.65 59.04 3fgo h LYS 135 Cb 1.20 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.84 3fgo h LYS 135 CO 0.40 0.38 0.26 -1.54 -3.45 0.00 0.00 179.45 175.50 3fgo s SER 136 N -6.23 6.55 0.38 4.20 1.04 -1.26 -4.99 113.70 113.39 3fgo s SER 136 Ca 0.03 1.35 -0.28 0.00 0.48 0.00 0.00 55.95 57.53 3fgo s SER 136 Cb 0.08 -2.42 -0.11 0.00 0.10 0.00 0.00 66.02 63.67 3fgo s SER 136 CO 0.76 -0.52 1.46 0.54 0.98 0.00 0.00 173.24 176.46 3fgo s VAL 137 N -2.54 2.11 -0.17 5.02 0.11 -1.26 -4.76 120.40 118.90 3fgo s VAL 137 Ca 0.55 0.11 -0.05 0.00 -2.93 0.00 0.00 61.98 59.66 3fgo s VAL 137 Cb -0.10 -3.07 -0.03 0.00 -1.53 0.00 0.00 36.38 31.65 3fgo s VAL 137 CO 0.33 0.02 -0.01 -1.10 -3.33 0.00 0.00 175.10 171.02 3fgo s GLN 138 N -2.12 3.74 -0.45 1.54 -0.21 0.14 -4.95 119.66 117.35 3fgo s GLN 138 Ca 0.54 -0.48 -0.20 0.00 0.02 0.00 0.00 55.36 55.24 3fgo s GLN 138 Cb -0.46 -3.01 0.03 0.00 1.00 0.00 0.00 33.01 30.57 3fgo s GLN 138 CO 0.61 0.21 0.62 0.50 -2.12 0.00 0.00 175.29 175.12 3fgo s ARG 139 N 0.47 3.24 0.44 2.91 3.52 -1.26 -0.67 118.95 127.60 3fgo s ARG 139 Ca -0.02 -0.48 0.03 0.00 -0.13 0.00 0.00 55.73 55.14 3fgo s ARG 139 Cb -0.14 -3.97 -0.02 0.00 -1.56 0.00 0.00 34.95 29.26 3fgo s ARG 139 CO 0.02 -1.03 0.09 0.96 -0.81 0.00 0.00 175.30 174.53 3fgo s ILE 140 N 2.75 0.77 0.15 4.11 -4.36 -0.31 -4.95 121.20 119.34 3fgo s ILE 140 Ca 0.21 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.29 3fgo s ILE 140 Cb -0.15 -2.28 -0.08 0.00 1.25 0.00 0.00 42.46 41.20 3fgo s ILE 140 CO 0.18 0.00 1.28 -0.54 0.24 0.00 0.00 174.94 176.09 3fgo s LYS 141 N -3.75 4.41 0.45 0.37 -0.14 -1.26 -0.42 119.74 119.40 3fgo s LYS 141 Ca 0.18 1.96 0.14 0.00 -1.36 0.00 0.00 55.97 56.89 3fgo s LYS 141 Cb 0.02 -3.25 1.02 0.00 -1.68 0.00 0.00 37.83 33.94 3fgo s LYS 141 CO 0.11 -0.26 2.01 0.00 -0.76 0.00 0.00 175.35 176.46 3fgo h ALA 142 N 5.96 1.73 0.00 5.17 0.00 -0.03 0.96 119.26 133.05 3fgo h ALA 142 Ca -0.43 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3fgo h ALA 142 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3fgo h ALA 142 CO 0.79 0.20 0.00 2.89 0.00 0.00 0.00 179.25 183.14 3fgo n ARG 143 N -4.36 0.17 0.00 0.00 1.85 -1.25 -1.47 116.66 111.59 3fgo n ARG 143 Ca -0.02 0.45 0.13 0.00 -1.00 0.00 0.00 57.85 57.40 3fgo n ARG 143 Cb 0.21 -1.85 0.31 0.00 -1.05 0.00 0.00 32.46 30.08 3fgo n ARG 143 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3fgo n ASP 144 N -2.17 1.28 -4.78 2.89 8.00 0.33 0.03 116.55 122.13 3fgo n ASP 144 Ca 0.02 -1.07 -0.36 0.00 0.71 0.00 0.00 54.79 54.08 3fgo n ASP 144 Cb 0.19 0.19 -0.01 0.00 -0.02 0.00 0.00 41.12 41.46 3fgo n ASP 144 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fgo s ILE 145 N -2.45 3.26 0.13 0.53 1.01 -0.54 -4.91 121.20 118.23 3fgo s ILE 145 Ca 0.24 0.91 0.05 0.00 0.00 0.00 0.00 60.65 61.85 3fgo s ILE 145 Cb 0.19 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 3fgo s ILE 145 CO 0.51 -0.06 -0.11 0.68 0.00 0.00 0.00 174.94 175.96 3fgo s VAL 146 N -1.64 1.20 0.19 2.92 -7.23 -1.26 -4.00 120.40 110.58 3fgo s VAL 146 Ca 0.65 -1.89 -0.33 0.00 -1.81 0.00 0.00 61.98 58.60 3fgo s VAL 146 Cb -0.26 -1.68 -0.14 0.00 0.56 0.00 0.00 36.38 34.87 3fgo s VAL 146 CO 0.31 -0.61 1.43 -2.65 -0.31 0.00 0.00 175.10 173.27 3fgo n PRO 147 N 0.14 1.91 0.00 4.82 -0.02 -1.26 -1.48 135.00 139.11 3fgo n PRO 147 Ca -0.13 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3fgo n PRO 147 Cb 0.59 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3fgo n PRO 147 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fgo n GLY 148 N 2.59 2.36 3.65 -1.23 0.00 -0.18 -4.96 105.19 107.41 3fgo n GLY 148 Ca 0.14 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 3fgo n GLY 148 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fgo n ASP 149 N 0.00 2.39 -4.64 1.61 8.00 -0.55 -4.60 116.55 118.77 3fgo n ASP 149 Ca 0.00 1.14 -0.43 0.00 0.71 0.00 0.00 54.79 56.21 3fgo n ASP 149 Cb 0.00 -1.37 -0.03 0.00 -0.02 0.00 0.00 41.12 39.70 3fgo n ASP 149 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fgo s ILE 150 N -0.06 4.61 0.20 0.53 -1.09 -1.26 -0.31 121.20 123.82 3fgo s ILE 150 Ca 0.70 1.66 0.10 0.00 -2.23 0.00 0.00 60.65 60.88 3fgo s ILE 150 Cb -0.70 -4.33 -0.04 0.00 -1.58 0.00 0.00 42.46 35.80 3fgo s ILE 150 CO 0.50 -0.37 -0.17 0.68 -1.23 0.00 0.00 174.94 174.35 3fgo s VAL 151 N 3.41 2.75 -0.05 2.92 -7.23 0.27 -0.80 120.40 121.67 3fgo s VAL 151 Ca 0.42 -1.91 0.05 0.00 -1.81 0.00 0.00 61.98 58.74 3fgo s VAL 151 Cb -0.13 -2.36 -0.01 0.00 0.56 0.00 0.00 36.38 34.45 3fgo s VAL 151 CO 0.13 -0.15 -0.22 -0.70 -0.31 0.00 0.00 175.10 173.85 3fgo s GLU 152 N -2.85 2.30 0.09 4.82 2.12 -0.82 -0.96 118.70 123.40 3fgo s GLU 152 Ca 0.24 -0.80 0.05 0.00 0.36 0.00 0.00 54.97 54.82 3fgo s GLU 152 Cb -0.08 -1.95 -0.03 0.00 0.26 0.00 0.00 34.13 32.33 3fgo s GLU 152 CO 0.13 0.33 -0.14 0.14 -0.54 0.00 0.00 175.26 175.17 3fgo s VAL 153 N -0.08 1.21 0.16 3.70 -7.23 -0.55 -4.40 120.40 113.20 3fgo s VAL 153 Ca -0.04 -1.45 -0.05 0.00 -1.81 0.00 0.00 61.98 58.62 3fgo s VAL 153 Cb -0.13 -1.25 -0.02 0.00 0.56 0.00 0.00 36.38 35.54 3fgo s VAL 153 CO 0.03 -0.28 0.19 0.00 -0.31 0.00 0.00 175.10 174.73 3fgo s ALA 154 N -1.57 0.46 0.03 1.32 0.00 -1.26 -1.40 121.76 119.33 3fgo s ALA 154 Ca 0.02 -1.21 -0.33 0.00 0.00 0.00 0.00 51.96 50.44 3fgo s ALA 154 Cb -0.08 0.93 -0.17 0.00 0.00 0.00 0.00 23.12 23.80 3fgo s ALA 154 CO 0.02 -0.59 0.85 1.55 0.00 0.00 0.00 175.76 177.60 3fgo n VAL 155 N -0.18 0.27 0.00 0.00 3.14 -0.15 -0.86 118.33 120.54 3fgo n VAL 155 Ca -0.05 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 3fgo n VAL 155 Cb 0.64 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.42 3fgo n VAL 155 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3fgo n GLY 156 N 1.37 3.33 3.77 7.55 0.00 0.25 -4.99 105.19 116.46 3fgo n GLY 156 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3fgo n GLY 156 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fgo s ASP 157 N -0.92 6.39 -0.11 1.61 -0.00 -0.04 -4.74 116.67 118.86 3fgo s ASP 157 Ca 0.00 2.50 -0.22 0.00 -0.00 0.00 0.00 52.55 54.83 3fgo s ASP 157 Cb 0.00 -2.63 -0.03 0.00 -0.00 0.00 0.00 42.92 40.26 3fgo s ASP 157 CO 0.00 -0.78 0.67 -0.54 -0.00 0.00 0.00 175.17 174.52 3fgo s LYS 158 N -2.28 4.36 0.14 8.23 1.02 -1.26 -0.98 119.74 128.97 3fgo s LYS 158 Ca 0.57 0.78 -0.31 0.00 0.02 0.00 0.00 55.97 57.03 3fgo s LYS 158 Cb -0.34 -3.49 -0.10 0.00 -0.52 0.00 0.00 37.83 33.38 3fgo s LYS 158 CO 0.44 -0.03 1.61 0.08 -0.92 0.00 0.00 175.35 176.53 3fgo s VAL 159 N 1.15 2.72 -0.19 3.17 1.01 -0.13 -4.82 120.40 123.31 3fgo s VAL 159 Ca 0.34 0.42 0.22 0.00 0.00 0.00 0.00 61.98 62.97 3fgo s VAL 159 Cb -0.17 -3.27 -0.09 0.00 0.00 0.00 0.00 36.38 32.85 3fgo s VAL 159 CO 0.15 0.02 0.90 -0.81 0.00 0.00 0.00 175.10 175.35 3fgo n PRO 160 N 4.54 0.61 -3.96 2.72 -0.04 -1.26 -0.44 135.00 137.17 3fgo n PRO 160 Ca 0.15 0.04 -0.10 0.00 -0.04 0.00 0.00 63.50 63.54 3fgo n PRO 160 Cb 0.39 -1.74 -0.03 0.00 -0.04 0.00 0.00 33.50 32.08 3fgo n PRO 160 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fgo s ALA 161 N -3.40 -0.30 -0.22 0.55 0.00 -1.26 -4.87 121.76 112.26 3fgo s ALA 161 Ca -0.02 -0.89 -0.26 0.00 0.00 0.00 0.00 51.96 50.79 3fgo s ALA 161 Cb 0.11 0.97 -0.00 0.00 0.00 0.00 0.00 23.12 24.20 3fgo s ALA 161 CO 0.82 -0.90 0.88 -0.51 0.00 0.00 0.00 175.76 176.06 3fgo s ASP 162 N -3.06 6.94 -0.03 0.00 1.11 -0.78 -3.04 116.67 117.81 3fgo s ASP 162 Ca 0.21 1.17 0.05 0.00 0.18 0.00 0.00 52.55 54.16 3fgo s ASP 162 Cb -0.02 -2.47 -0.01 0.00 1.07 0.00 0.00 42.92 41.49 3fgo s ASP 162 CO 0.11 -0.52 -0.19 -0.63 1.18 0.00 0.00 175.17 175.13 3fgo s ILE 163 N 2.72 1.50 -0.21 0.77 1.01 0.11 -0.02 121.20 127.09 3fgo s ILE 163 Ca 0.38 -0.78 -0.23 0.00 0.00 0.00 0.00 60.65 60.02 3fgo s ILE 163 Cb -0.16 -1.27 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 3fgo s ILE 163 CO 0.09 0.43 0.76 -0.60 0.00 0.00 0.00 174.94 175.61 3fgo s ARG 164 N -0.19 4.22 0.00 2.79 6.06 0.03 0.38 118.95 132.25 3fgo s ARG 164 Ca 0.01 0.85 -0.30 0.00 -2.50 0.00 0.00 55.73 53.78 3fgo s ARG 164 Cb -0.10 -3.60 -0.05 0.00 0.06 0.00 0.00 34.95 31.26 3fgo s ARG 164 CO 0.01 -0.37 1.25 0.42 -2.50 0.00 0.00 175.30 174.12 3fgo s ILE 165 N 2.32 4.02 -0.22 4.11 1.01 -0.51 -0.55 121.20 131.38 3fgo s ILE 165 Ca 0.34 1.40 -0.01 0.00 0.00 0.00 0.00 60.65 62.38 3fgo s ILE 165 Cb -0.16 -3.90 -0.19 0.00 0.01 0.00 0.00 42.46 38.22 3fgo s ILE 165 CO 0.10 0.04 -0.07 0.18 0.00 0.00 0.00 174.94 175.18 3fgo n LEU 166 N 4.78 2.87 -3.67 2.97 4.77 0.32 -4.76 117.00 124.28 3fgo n LEU 166 Ca 0.11 -0.04 -0.09 0.00 -0.03 0.00 0.00 56.01 55.96 3fgo n LEU 166 Cb 0.45 -0.96 -0.09 0.00 -2.33 0.00 0.00 43.42 40.49 3fgo n LEU 166 CO 0.56 0.91 0.22 -0.55 -1.33 0.00 0.00 177.39 177.20 3fgo s SER 167 N -6.68 -0.72 -0.24 -1.43 0.15 -0.77 -4.97 113.70 99.04 3fgo s SER 167 Ca -0.32 1.22 -0.08 0.00 0.70 0.00 0.00 55.95 57.47 3fgo s SER 167 Cb 0.08 1.12 -0.04 0.00 -1.71 0.00 0.00 66.02 65.47 3fgo s SER 167 CO 0.64 -0.22 0.10 -0.63 1.20 0.00 0.00 173.24 174.34 3fgo s ILE 168 N 1.31 4.64 -0.05 6.45 1.01 -1.26 -0.64 121.20 132.66 3fgo s ILE 168 Ca -0.08 -0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.59 3fgo s ILE 168 Cb -0.06 -3.17 -0.24 0.00 0.01 0.00 0.00 42.46 39.00 3fgo s ILE 168 CO -0.14 0.34 0.62 0.11 0.00 0.00 0.00 174.94 175.88 3fgo h LYS 169 N 7.99 0.06 -7.26 2.79 1.79 -1.36 -3.47 116.57 117.12 3fgo h LYS 169 Ca -0.37 -0.10 -0.45 0.00 -2.18 0.00 0.00 60.65 57.54 3fgo h LYS 169 Cb 1.18 0.04 0.08 0.00 -1.58 0.00 0.00 32.23 31.95 3fgo h LYS 169 CO 0.59 0.67 0.20 -1.54 -1.08 0.00 0.00 179.45 178.29 3fgo s SER 170 N -6.32 4.76 0.37 0.86 1.04 -1.18 -4.97 113.70 108.26 3fgo s SER 170 Ca -0.08 0.34 0.04 0.00 0.48 0.00 0.00 55.95 56.73 3fgo s SER 170 Cb 0.08 -0.97 0.70 0.00 0.10 0.00 0.00 66.02 65.92 3fgo s SER 170 CO 0.81 -1.61 1.99 0.74 0.98 0.00 0.00 173.24 176.15 3fgo h THR 171 N -0.56 1.15 -3.90 2.02 2.02 -1.93 -3.43 112.91 108.27 3fgo h THR 171 Ca -0.44 -0.37 -0.13 0.00 0.77 0.00 0.00 66.41 66.25 3fgo h THR 171 Cb 1.31 0.47 -0.17 0.00 -1.74 0.00 0.00 68.15 68.02 3fgo h THR 171 CO 0.57 0.16 -0.56 0.42 0.37 0.00 0.00 175.52 176.49 3fgo s THR 172 N -5.49 0.15 -0.24 3.16 -4.23 -1.26 -4.77 115.64 102.96 3fgo s THR 172 Ca -0.09 -1.22 -0.04 0.00 -1.18 0.00 0.00 61.69 59.15 3fgo s THR 172 Cb 0.17 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 73.02 3fgo s THR 172 CO 0.75 -0.67 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.93 3fgo s LEU 173 N -2.28 3.19 -0.17 4.79 2.96 -1.26 -4.02 118.68 121.89 3fgo s LEU 173 Ca -0.03 -0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 53.32 3fgo s LEU 173 Cb 0.00 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 3fgo s LEU 173 CO -0.06 -0.08 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.71 3fgo s ARG 174 N 1.46 3.51 -0.02 1.98 0.52 0.10 -1.53 118.95 124.97 3fgo s ARG 174 Ca 0.04 -0.59 0.06 0.00 -0.52 0.00 0.00 55.73 54.72 3fgo s ARG 174 Cb -0.15 -2.90 -0.01 0.00 0.52 0.00 0.00 34.95 32.41 3fgo s ARG 174 CO -0.02 0.08 -0.19 0.08 0.02 0.00 0.00 175.30 175.27 3fgo s VAL 175 N 0.77 1.53 -0.51 3.52 1.01 -0.08 0.52 120.40 127.16 3fgo s VAL 175 Ca -0.02 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 60.98 3fgo s VAL 175 Cb -0.15 -1.28 0.10 0.00 0.00 0.00 0.00 36.38 35.05 3fgo s VAL 175 CO 0.02 0.43 0.46 -0.62 0.00 0.00 0.00 175.10 175.39 3fgo s ASP 176 N -0.35 6.17 -0.41 3.32 2.15 -0.38 -0.02 116.67 127.15 3fgo s ASP 176 Ca 0.05 -1.53 0.05 0.00 0.43 0.00 0.00 52.55 51.55 3fgo s ASP 176 Cb -0.08 -2.20 0.65 0.00 -0.30 0.00 0.00 42.92 40.99 3fgo s ASP 176 CO -0.00 -0.77 1.84 0.00 -0.17 0.00 0.00 175.17 176.07 3fgo n GLN 177 N 5.30 2.35 0.31 4.34 6.02 -1.26 -2.47 117.38 131.97 3fgo n GLN 177 Ca -0.13 -3.04 0.21 0.00 -0.01 0.00 0.00 57.00 54.03 3fgo n GLN 177 Cb 0.42 -2.13 1.13 0.00 1.02 0.00 0.00 30.24 30.68 3fgo n GLN 177 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3fgo h SER 178 N 1.18 0.00 1.12 1.08 4.64 -1.88 0.17 113.55 119.86 3fgo h SER 178 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3fgo h SER 178 Cb 2.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.73 3fgo h SER 178 CO 0.96 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 179.22 3fgo n ILE 179 N -2.96 0.67 -0.01 0.95 -5.35 -1.26 -0.85 119.36 110.54 3fgo n ILE 179 Ca -0.03 -0.05 0.07 0.00 -0.27 0.00 0.00 62.75 62.47 3fgo n ILE 179 Cb 0.07 -0.83 -0.11 0.00 -1.74 0.00 0.00 39.64 37.03 3fgo n ILE 179 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3fgo n LEU 180 N -2.19 0.00 0.00 7.28 4.77 0.47 -2.73 117.00 124.60 3fgo n LEU 180 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3fgo n LEU 180 Cb 0.34 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3fgo n LEU 180 CO 0.25 0.01 -0.18 0.35 -1.33 0.00 0.00 177.39 176.50 3fgo n THR 181 N -2.00 0.00 0.00 -5.08 -2.24 -0.47 -4.29 114.28 100.20 3fgo n THR 181 Ca -0.03 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3fgo n THR 181 Cb 0.38 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 3fgo n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fgo n GLY 182 N 1.29 2.86 3.80 3.38 0.00 -0.03 -3.49 105.19 113.00 3fgo n GLY 182 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3fgo n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fgo s GLU 183 N 0.00 3.87 0.11 1.61 0.41 -1.26 -4.89 118.70 118.55 3fgo s GLU 183 Ca 0.00 -0.05 0.24 0.00 -0.41 0.00 0.00 54.97 54.76 3fgo s GLU 183 Cb 0.00 -3.31 0.35 0.00 -1.78 0.00 0.00 34.13 29.39 3fgo s GLU 183 CO 0.00 0.52 1.31 0.43 -0.49 0.00 0.00 175.26 177.04 3fgo n SER 184 N 2.72 0.68 -4.57 -0.19 7.64 -1.26 -2.96 113.62 115.68 3fgo n SER 184 Ca -0.17 0.09 -0.46 0.00 1.01 0.00 0.00 58.87 59.34 3fgo n SER 184 Cb 0.53 0.19 -0.02 0.00 -1.01 0.00 0.00 64.21 63.90 3fgo n SER 184 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3fgo n VAL 185 N -2.06 1.73 -2.25 0.44 3.14 -1.26 -4.75 118.33 113.32 3fgo n VAL 185 Ca 0.03 -0.43 -0.42 0.00 -2.96 0.00 0.00 64.34 60.56 3fgo n VAL 185 Cb 0.43 -0.85 -0.03 0.00 -1.06 0.00 0.00 33.84 32.33 3fgo n VAL 185 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 3fgo s SER 186 N -0.48 6.91 -0.07 6.55 0.01 -1.26 -4.62 113.70 120.75 3fgo s SER 186 Ca 0.63 2.27 -0.21 0.00 1.31 0.00 0.00 55.95 59.95 3fgo s SER 186 Cb -0.76 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 62.83 3fgo s SER 186 CO 0.58 -0.56 0.62 -0.69 0.41 0.00 0.00 173.24 173.60 3fgo s VAL 187 N 0.76 5.06 -0.63 3.43 1.01 0.97 -4.82 120.40 126.18 3fgo s VAL 187 Ca 0.61 1.28 -0.21 0.00 0.00 0.00 0.00 61.98 63.65 3fgo s VAL 187 Cb -0.35 -3.96 0.08 0.00 0.00 0.00 0.00 36.38 32.15 3fgo s VAL 187 CO 0.32 0.30 0.86 -0.63 0.00 0.00 0.00 175.10 175.96 3fgo s ILE 188 N 0.56 4.52 0.77 2.22 -1.09 -1.26 -0.90 121.20 126.01 3fgo s ILE 188 Ca 0.33 -0.55 -0.11 0.00 -2.23 0.00 0.00 60.65 58.09 3fgo s ILE 188 Cb -0.17 -4.60 0.05 0.00 -1.58 0.00 0.00 42.46 36.17 3fgo s ILE 188 CO 0.16 -1.30 1.08 -0.54 -1.23 0.00 0.00 174.94 173.11 3fgo s LYS 189 N 3.54 2.30 0.00 2.79 -0.14 -0.58 -4.99 119.74 122.65 3fgo s LYS 189 Ca 0.19 0.77 0.00 0.00 -1.36 0.00 0.00 55.97 55.57 3fgo s LYS 189 Cb -0.19 -1.93 0.00 0.00 -1.68 0.00 0.00 37.83 34.03 3fgo s LYS 189 CO 0.09 -1.50 0.00 -2.39 -0.76 0.00 0.00 175.35 170.79 3fgo n HIS 190 N -3.37 -0.09 -0.19 3.18 1.44 0.53 -4.60 115.22 112.11 3fgo n HIS 190 Ca 0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 3fgo n HIS 190 Cb 0.55 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.66 3fgo n HIS 190 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3fgo n THR 191 N 0.00 0.00 -2.34 0.61 -2.24 -1.26 -3.95 114.28 105.10 3fgo n THR 191 Ca 0.00 -0.40 -0.34 0.00 -2.27 0.00 0.00 64.05 61.04 3fgo n THR 191 Cb 0.00 1.19 -0.01 0.00 -2.10 0.00 0.00 70.33 69.41 3fgo n THR 191 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3fgo s GLU 192 N -0.03 3.56 0.55 -0.78 2.02 -1.26 -4.59 118.70 118.17 3fgo s GLU 192 Ca 0.00 1.36 -0.21 0.00 0.02 0.00 0.00 54.97 56.14 3fgo s GLU 192 Cb 0.00 -2.06 -0.04 0.00 0.10 0.00 0.00 34.13 32.13 3fgo s GLU 192 CO 0.00 -0.63 1.32 -2.14 0.02 0.00 0.00 175.26 173.83 3fgo s PRO 193 N -3.49 3.11 -0.54 0.39 0.02 -1.26 -4.68 135.00 128.54 3fgo s PRO 193 Ca 0.67 2.14 -0.04 0.00 0.02 0.00 0.00 61.00 63.80 3fgo s PRO 193 Cb -0.18 -2.20 0.14 0.00 0.02 0.00 0.00 34.50 32.29 3fgo s PRO 193 CO 0.26 -1.18 0.36 0.08 -0.33 0.00 0.00 177.00 176.19 3fgo s VAL 194 N -1.36 3.66 0.41 3.83 1.01 0.33 -5.01 120.40 123.27 3fgo s VAL 194 Ca 0.73 -2.53 0.08 0.00 0.00 0.00 0.00 61.98 60.26 3fgo s VAL 194 Cb -0.38 -3.43 0.24 0.00 0.00 0.00 0.00 36.38 32.81 3fgo s VAL 194 CO 0.45 -0.81 2.03 -0.65 0.00 0.00 0.00 175.10 176.12 3fgo h PRO 195 N 7.53 0.47 -6.20 2.72 0.11 -1.82 -3.29 132.00 131.52 3fgo h PRO 195 Ca -0.07 -0.04 -0.56 0.00 0.11 0.00 0.00 66.00 65.44 3fgo h PRO 195 Cb 1.00 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.02 3fgo h PRO 195 CO 0.72 0.36 1.34 0.34 -0.21 0.00 0.00 178.00 180.55 3fgo s ASP 196 N -6.74 6.02 0.46 -2.05 2.15 -1.26 -4.82 116.67 110.44 3fgo s ASP 196 Ca -0.08 2.29 0.13 0.00 0.43 0.00 0.00 52.55 55.32 3fgo s ASP 196 Cb 0.17 -2.52 1.08 0.00 -0.30 0.00 0.00 42.92 41.34 3fgo s ASP 196 CO 0.73 -1.45 2.08 -0.65 -0.17 0.00 0.00 175.17 175.71 3fgo h PRO 197 N 12.49 0.28 -0.48 4.34 0.11 -2.00 -2.20 132.00 144.54 3fgo h PRO 197 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3fgo h PRO 197 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3fgo h PRO 197 CO 0.95 0.18 0.00 0.54 -0.21 0.00 0.00 178.00 179.46 3fgo n ARG 198 N -4.49 2.19 -1.44 1.05 1.74 -1.26 -4.98 116.66 109.47 3fgo n ARG 198 Ca 0.02 -1.85 -0.49 0.00 -0.77 0.00 0.00 57.85 54.76 3fgo n ARG 198 Cb 0.14 -1.41 -0.04 0.00 -1.02 0.00 0.00 32.46 30.13 3fgo n ARG 198 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fgo n ALA 199 N 1.01 -2.65 -2.18 7.54 0.00 -0.83 -4.96 120.51 118.45 3fgo n ALA 199 Ca 0.18 0.46 -0.24 0.00 0.00 0.00 0.00 53.44 53.83 3fgo n ALA 199 Cb 0.45 -1.69 0.02 0.00 0.00 0.00 0.00 19.45 18.23 3fgo n ALA 199 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fgo s VAL 200 N -0.83 3.65 0.21 0.00 0.11 -1.26 -4.91 120.40 117.37 3fgo s VAL 200 Ca 0.68 -0.32 -0.11 0.00 -2.93 0.00 0.00 61.98 59.30 3fgo s VAL 200 Cb -0.95 -3.40 0.19 0.00 -1.53 0.00 0.00 36.38 30.69 3fgo s VAL 200 CO 0.56 -0.33 1.67 0.78 -3.33 0.00 0.00 175.10 174.45 3fgo h ASN 201 N 0.11 -0.19 -0.32 3.54 2.35 -1.93 0.91 115.58 120.03 3fgo h ASN 201 Ca -0.45 0.14 0.09 0.00 -0.55 0.00 0.00 56.30 55.53 3fgo h ASN 201 Cb 1.26 0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.85 3fgo h ASN 201 CO 0.58 -0.08 0.29 1.56 -1.65 0.00 0.00 177.43 178.13 3fgo h GLN 202 N 0.15 0.00 0.00 0.81 7.50 -1.93 0.24 115.11 121.89 3fgo h GLN 202 Ca 0.32 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.46 3fgo h GLN 202 Cb 0.51 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.04 3fgo h GLN 202 CO -0.49 0.00 -0.49 -0.44 -1.50 0.00 0.00 178.83 175.91 3fgo h ASP 203 N 0.00 0.00 -0.99 1.46 3.32 -1.20 -3.42 116.42 115.60 3fgo h ASP 203 Ca 0.15 0.00 -0.73 0.00 0.02 0.00 0.00 57.03 56.47 3fgo h ASP 203 Cb 0.73 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.17 3fgo h ASP 203 CO -0.00 0.02 2.32 0.29 -1.72 0.00 0.00 179.24 180.15 3fgo n LYS 204 N -2.91 3.32 -0.00 3.56 5.02 0.86 -4.73 118.16 123.28 3fgo n LYS 204 Ca 0.02 -3.25 0.14 0.00 -2.02 0.00 0.00 58.31 53.20 3fgo n LYS 204 Cb 0.55 -3.09 0.81 0.00 -0.02 0.00 0.00 35.03 33.27 3fgo n LYS 204 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3fgo n LYS 205 N 5.06 1.11 -0.28 1.97 5.02 -1.26 -2.24 118.16 127.55 3fgo n LYS 205 Ca 0.44 -0.17 0.08 0.00 -2.02 0.00 0.00 58.31 56.64 3fgo n LYS 205 Cb 0.38 -1.46 0.19 0.00 -0.02 0.00 0.00 35.03 34.13 3fgo n LYS 205 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3fgo n ASN 206 N -0.76 3.21 -4.35 4.39 6.94 -1.25 -0.35 115.26 123.09 3fgo n ASN 206 Ca 0.21 -2.80 -0.28 0.00 -0.02 0.00 0.00 54.58 51.69 3fgo n ASN 206 Cb 0.14 -0.43 -0.13 0.00 -2.36 0.00 0.00 39.78 37.00 3fgo n ASN 206 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3fgo s MET 207 N -2.42 1.37 -0.10 -3.83 -1.94 -0.95 -1.42 119.30 110.01 3fgo s MET 207 Ca 0.33 -1.25 0.02 0.00 -1.71 0.00 0.00 55.69 53.08 3fgo s MET 207 Cb 0.27 -1.75 -0.02 0.00 2.01 0.00 0.00 34.83 35.34 3fgo s MET 207 CO 0.08 0.42 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.84 3fgo s LEU 208 N -1.88 2.59 -0.11 -0.03 1.43 0.16 -4.92 118.68 115.92 3fgo s LEU 208 Ca 0.11 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.85 3fgo s LEU 208 Cb -0.10 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 3fgo s LEU 208 CO 0.05 0.22 -0.01 -0.36 0.23 0.00 0.00 176.35 176.48 3fgo s PHE 209 N 0.00 3.12 0.20 0.29 0.40 -1.26 0.08 117.98 120.80 3fgo s PHE 209 Ca -0.05 0.04 -0.33 0.00 -0.60 0.00 0.00 56.93 56.00 3fgo s PHE 209 Cb -0.14 -1.86 -0.13 0.00 0.51 0.00 0.00 43.02 41.40 3fgo s PHE 209 CO 0.04 0.30 1.59 0.45 0.70 0.00 0.00 175.22 178.30 3fgo n SER 210 N 2.66 3.33 0.00 1.36 2.88 -1.17 -1.68 113.62 121.00 3fgo n SER 210 Ca -0.18 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 3fgo n SER 210 Cb 0.53 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 3fgo n SER 210 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fgo n GLY 211 N 3.24 3.21 3.29 0.46 0.00 0.42 -4.41 105.19 111.40 3fgo n GLY 211 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 3fgo n GLY 211 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fgo n THR 212 N -1.93 0.00 -3.92 2.61 -2.24 -0.68 -4.77 114.28 103.35 3fgo n THR 212 Ca 0.00 -0.79 -0.09 0.00 -2.27 0.00 0.00 64.05 60.90 3fgo n THR 212 Cb 0.00 -1.53 -0.09 0.00 -2.10 0.00 0.00 70.33 66.61 3fgo n THR 212 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fgo s ASN 213 N -5.05 0.20 -0.35 3.42 2.20 -1.03 -0.96 114.94 113.36 3fgo s ASN 213 Ca 0.65 -0.63 -0.21 0.00 -0.94 0.00 0.00 52.86 51.72 3fgo s ASN 213 Cb -0.02 0.27 0.00 0.00 -2.00 0.00 0.00 41.25 39.50 3fgo s ASN 213 CO 0.46 -0.60 0.66 -0.63 -2.94 0.00 0.00 177.10 174.04 3fgo s ILE 214 N -3.25 4.87 -0.10 0.54 -1.09 -0.15 -1.25 121.20 120.76 3fgo s ILE 214 Ca 0.00 0.66 0.15 0.00 -2.23 0.00 0.00 60.65 59.23 3fgo s ILE 214 Cb 0.02 -4.09 -0.08 0.00 -1.58 0.00 0.00 42.46 36.73 3fgo s ILE 214 CO -0.08 -0.32 1.09 0.00 -1.23 0.00 0.00 174.94 174.40 3fgo h ALA 215 N 8.44 0.63 -1.71 9.38 0.00 -0.27 0.74 119.26 136.47 3fgo h ALA 215 Ca -0.26 -0.76 0.04 0.00 0.00 0.00 0.00 54.91 53.93 3fgo h ALA 215 Cb 1.11 0.11 -0.22 0.00 0.00 0.00 0.00 17.79 18.80 3fgo h ALA 215 CO 0.85 0.90 0.44 0.00 0.00 0.00 0.00 179.25 181.43 3fgo s ALA 216 N -2.89 -1.88 0.00 0.00 0.00 -0.95 -4.73 121.76 111.31 3fgo s ALA 216 Ca -0.00 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.45 3fgo s ALA 216 Cb 0.08 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.73 3fgo s ALA 216 CO 0.79 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.62 3fgo n GLY 217 N 0.76 -2.16 3.31 0.00 0.00 -1.26 -0.72 105.19 105.12 3fgo n GLY 217 Ca -0.13 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.74 3fgo n GLY 217 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fgo s LYS 218 N -0.18 0.54 0.20 1.61 2.20 -1.26 -0.98 119.74 121.87 3fgo s LYS 218 Ca 0.00 0.45 -0.16 0.00 -0.36 0.00 0.00 55.97 55.91 3fgo s LYS 218 Cb 0.00 0.26 0.02 0.00 -1.51 0.00 0.00 37.83 36.59 3fgo s LYS 218 CO 0.00 -0.09 0.49 0.00 -0.36 0.00 0.00 175.35 175.39 3fgo s ALA 219 N -0.06 -0.71 0.05 3.13 0.00 -0.50 -0.84 121.76 122.82 3fgo s ALA 219 Ca -0.02 -0.42 0.09 0.00 0.00 0.00 0.00 51.96 51.61 3fgo s ALA 219 Cb -0.03 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 23.94 3fgo s ALA 219 CO 0.01 -0.80 -0.25 -1.17 0.00 0.00 0.00 175.76 173.56 3fgo s LEU 220 N -2.91 2.17 0.34 0.00 2.96 0.18 -1.49 118.68 119.94 3fgo s LEU 220 Ca 0.12 -0.58 -0.10 0.00 -0.22 0.00 0.00 54.13 53.36 3fgo s LEU 220 Cb -0.01 -1.18 0.02 0.00 0.50 0.00 0.00 46.19 45.52 3fgo s LEU 220 CO -0.00 0.22 0.60 -0.83 -1.32 0.00 0.00 176.35 175.02 3fgo s GLY 221 N -1.26 0.86 -0.10 7.98 0.00 -0.13 -0.52 107.32 114.14 3fgo s GLY 221 Ca 0.10 -1.08 0.01 0.00 0.00 0.00 0.00 44.72 43.75 3fgo s GLY 221 CO 0.02 -0.65 -0.13 -1.50 0.00 0.00 0.00 173.10 170.84 3fgo s ILE 222 N -2.97 3.06 0.12 0.90 2.07 0.29 -0.56 121.20 124.10 3fgo s ILE 222 Ca 0.23 -0.68 -0.31 0.00 -1.41 0.00 0.00 60.65 58.48 3fgo s ILE 222 Cb -0.02 -2.25 -0.08 0.00 0.13 0.00 0.00 42.46 40.23 3fgo s ILE 222 CO 0.15 0.55 1.43 -0.69 -1.91 0.00 0.00 174.94 174.46 3fgo s VAL 223 N -0.03 3.18 -0.26 4.00 1.01 0.58 -0.79 120.40 128.10 3fgo s VAL 223 Ca -0.03 0.84 -0.05 0.00 0.00 0.00 0.00 61.98 62.74 3fgo s VAL 223 Cb -0.14 -3.54 -0.15 0.00 0.00 0.00 0.00 36.38 32.55 3fgo s VAL 223 CO 0.04 0.06 -0.24 0.00 0.00 0.00 0.00 175.10 174.96 3fgo n ALA 224 N 4.04 1.30 -2.36 5.51 0.00 0.97 -1.01 120.51 128.96 3fgo n ALA 224 Ca 0.12 -1.07 -0.08 0.00 0.00 0.00 0.00 53.44 52.41 3fgo n ALA 224 Cb 0.42 -0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.74 3fgo n ALA 224 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3fgo s THR 225 N -2.51 0.15 0.31 0.00 -4.23 -0.93 -2.58 115.64 105.85 3fgo s THR 225 Ca -0.36 -1.53 0.05 0.00 -1.18 0.00 0.00 61.69 58.68 3fgo s THR 225 Cb 0.11 -1.57 -0.03 0.00 1.34 0.00 0.00 72.50 72.35 3fgo s THR 225 CO 0.56 -0.69 0.26 0.42 -0.54 0.00 0.00 174.62 174.63 3fgo s THR 226 N -3.92 0.00 0.00 3.99 -4.23 -1.26 -1.86 115.64 108.36 3fgo s THR 226 Ca 0.10 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 3fgo s THR 226 Cb 0.06 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.40 3fgo s THR 226 CO -0.07 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 3fgo n GLY 227 N -0.56 2.07 0.07 3.99 0.00 -1.26 -2.30 105.19 107.20 3fgo n GLY 227 Ca 0.06 -0.38 0.09 0.00 0.00 0.00 0.00 46.02 45.79 3fgo n GLY 227 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3fgo n VAL 228 N 0.00 1.07 0.68 1.61 0.24 -1.26 -2.47 118.33 118.19 3fgo n VAL 228 Ca 0.00 0.34 0.02 0.00 -2.04 0.00 0.00 64.34 62.66 3fgo n VAL 228 Cb 0.00 -1.22 0.11 0.00 -1.47 0.00 0.00 33.84 31.26 3fgo n VAL 228 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3fgo n SER 229 N -1.89 2.04 -4.90 -1.34 7.64 -0.97 -3.67 113.62 110.53 3fgo n SER 229 Ca 0.02 -2.20 -0.22 0.00 1.01 0.00 0.00 58.87 57.48 3fgo n SER 229 Cb 0.15 -0.46 -0.02 0.00 -1.01 0.00 0.00 64.21 62.88 3fgo n SER 229 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3fgo s THR 230 N -1.55 2.44 0.16 0.44 -4.23 -1.03 -4.68 115.64 107.20 3fgo s THR 230 Ca 0.15 -1.33 -0.15 0.00 -1.18 0.00 0.00 61.69 59.18 3fgo s THR 230 Cb 0.11 -2.77 0.04 0.00 1.34 0.00 0.00 72.50 71.22 3fgo s THR 230 CO 0.06 0.00 1.80 -0.33 -0.54 0.00 0.00 174.62 175.61 3fgo h GLU 231 N 0.90 0.66 0.00 3.99 4.39 -1.89 0.27 114.58 122.90 3fgo h GLU 231 Ca -0.40 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.17 3fgo h GLU 231 Cb 1.27 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 3fgo h GLU 231 CO 0.56 0.48 -0.37 0.97 -1.16 0.00 0.00 179.01 179.48 3fgo h ILE 232 N 0.66 1.15 -0.37 3.13 2.10 -1.92 -2.39 117.51 119.86 3fgo h ILE 232 Ca 0.18 -1.32 -0.09 0.00 1.08 0.00 0.00 64.86 64.70 3fgo h ILE 232 Cb -0.02 1.74 -0.02 0.00 -1.09 0.00 0.00 36.82 37.43 3fgo h ILE 232 CO -0.03 0.36 -0.15 1.23 -1.08 0.00 0.00 178.15 178.48 3fgo h GLY 233 N 1.31 0.73 1.18 8.18 0.00 -1.53 -1.55 103.07 111.40 3fgo h GLY 233 Ca -0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 3fgo h GLY 233 CO 0.05 0.51 0.49 0.50 0.00 0.00 0.00 176.54 178.08 3fgo h LYS 234 N 0.61 1.08 -0.06 4.80 1.57 -0.47 0.19 116.57 124.29 3fgo h LYS 234 Ca 0.10 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3fgo h LYS 234 Cb 0.60 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 3fgo h LYS 234 CO 0.04 0.75 0.01 0.82 -0.57 0.00 0.00 179.45 180.50 3fgo h ILE 235 N 1.10 1.21 -0.88 1.86 2.04 -1.19 -2.30 117.51 119.36 3fgo h ILE 235 Ca 0.29 -0.65 0.05 0.00 1.00 0.00 0.00 64.86 65.54 3fgo h ILE 235 Cb -0.05 1.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.52 3fgo h ILE 235 CO -0.05 0.18 0.56 -0.09 0.00 0.00 0.00 178.15 178.74 3fgo h ARG 236 N -0.15 1.01 -0.89 2.37 1.12 -0.88 -1.99 114.38 114.98 3fgo h ARG 236 Ca 0.02 -0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 58.81 3fgo h ARG 236 Cb 0.28 -0.23 -0.04 0.00 -0.01 0.00 0.00 29.97 29.97 3fgo h ARG 236 CO 0.00 0.67 0.50 -0.44 -3.11 0.00 0.00 179.97 177.59 3fgo h ASP 237 N 1.05 1.10 0.54 -3.80 3.45 -0.41 -1.90 116.42 116.44 3fgo h ASP 237 Ca 0.37 -0.09 -0.16 0.00 0.43 0.00 0.00 57.03 57.57 3fgo h ASP 237 Cb 0.09 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.56 3fgo h ASP 237 CO -0.15 0.88 -0.72 1.56 -1.57 0.00 0.00 179.24 179.25 3fgo h GLN 238 N 1.24 0.15 0.00 3.56 4.20 -0.83 -2.48 115.11 120.95 3fgo h GLN 238 Ca 0.32 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3fgo h GLN 238 Cb 0.01 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3fgo h GLN 238 CO -0.05 0.80 0.00 0.52 -0.67 0.00 0.00 178.83 179.43 3fgo h MET 239 N 0.10 0.00 0.00 1.46 2.86 -1.01 -2.86 114.93 115.48 3fgo h MET 239 Ca -0.02 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 3fgo h MET 239 Cb 1.27 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.92 3fgo h MET 239 CO 0.10 0.00 -0.53 0.00 1.06 0.00 0.00 176.91 177.54 3fgo h ALA 240 N 2.33 0.76 -0.25 6.32 0.00 -0.90 -3.40 119.26 124.12 3fgo h ALA 240 Ca 0.00 -0.17 -0.39 0.00 0.00 0.00 0.00 54.91 54.35 3fgo h ALA 240 Cb 0.59 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.40 3fgo h ALA 240 CO 0.00 0.21 1.26 0.00 0.00 0.00 0.00 179.25 180.72 3fgo n ALA 241 N -2.18 1.87 0.03 0.00 0.00 -1.08 -4.64 120.51 114.51 3fgo n ALA 241 Ca 0.01 -2.95 -0.02 0.00 0.00 0.00 0.00 53.44 50.48 3fgo n ALA 241 Cb 0.61 -3.52 0.16 0.00 0.00 0.00 0.00 19.45 16.69 3fgo n ALA 241 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3fgo n THR 242 N 7.47 1.59 -1.33 0.00 -1.04 -1.26 -4.90 114.28 114.81 3fgo n THR 242 Ca 0.46 -0.76 -0.10 0.00 -2.04 0.00 0.00 64.05 61.60 3fgo n THR 242 Cb 0.45 -0.51 -0.09 0.00 -1.82 0.00 0.00 70.33 68.35 3fgo n THR 242 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3fgo n GLU 243 N 0.10 0.10 0.00 -2.82 0.28 -1.26 -4.62 120.64 112.41 3fgo n GLU 243 Ca 0.19 -0.48 0.00 0.00 -0.16 0.00 0.00 57.16 56.71 3fgo n GLU 243 Cb 0.83 -2.00 0.00 0.00 1.43 0.00 0.00 31.44 31.71 3fgo n GLU 243 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3fgo n GLN 244 N 6.12 0.00 -3.57 3.44 6.02 -1.26 -4.81 117.38 123.32 3fgo n GLN 244 Ca 0.32 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 57.09 3fgo n GLN 244 Cb 0.39 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.66 3fgo n GLN 244 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3fgo n ASP 245 N 3.88 -4.14 -4.75 1.08 2.03 -1.26 -4.96 116.55 108.43 3fgo n ASP 245 Ca 0.00 -0.77 -0.25 0.00 0.52 0.00 0.00 54.79 54.28 3fgo n ASP 245 Cb 0.00 -1.36 -0.06 0.00 -0.72 0.00 0.00 41.12 38.98 3fgo n ASP 245 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3fgo s LYS 246 N -4.30 2.71 0.33 -0.67 1.02 -1.26 -5.06 119.74 112.50 3fgo s LYS 246 Ca 0.03 -1.01 -0.10 0.00 0.02 0.00 0.00 55.97 54.91 3fgo s LYS 246 Cb -0.00 -2.51 -0.08 0.00 -0.52 0.00 0.00 37.83 34.72 3fgo s LYS 246 CO 0.77 0.45 -0.13 0.25 -0.92 0.00 0.00 175.35 175.77 3fgo n THR 247 N -0.46 0.00 0.19 2.17 -2.24 -1.26 -4.50 114.28 108.18 3fgo n THR 247 Ca -0.08 -0.28 0.03 0.00 -2.27 0.00 0.00 64.05 61.44 3fgo n THR 247 Cb 0.56 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.90 3fgo n THR 247 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3fgo n PRO 248 N 0.93 0.00 0.00 -0.78 -0.04 -1.26 -2.02 135.00 131.83 3fgo n PRO 248 Ca 0.03 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 3fgo n PRO 248 Cb 0.27 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 3fgo n PRO 248 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3fgo n LEU 249 N -1.49 1.04 0.21 1.53 7.94 -1.26 -1.82 117.00 123.15 3fgo n LEU 249 Ca 0.01 0.40 0.04 0.00 -1.11 0.00 0.00 56.01 55.36 3fgo n LEU 249 Cb 0.06 -0.26 0.24 0.00 0.53 0.00 0.00 43.42 44.00 3fgo n LEU 249 CO 0.05 -0.26 0.85 -0.61 -1.11 0.00 0.00 177.39 176.31 3fgo h GLN 250 N 0.00 0.00 0.01 1.96 5.75 -1.84 0.43 115.11 121.42 3fgo h GLN 250 Ca 0.00 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.40 3fgo h GLN 250 Cb 0.00 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 3fgo h GLN 250 CO 0.00 0.00 -0.53 0.37 -2.65 0.00 0.00 178.83 176.02 3fgo h GLN 251 N 0.00 0.02 0.00 1.69 5.75 -1.47 -2.79 115.11 118.30 3fgo h GLN 251 Ca 0.00 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 3fgo h GLN 251 Cb 1.12 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.68 3fgo h GLN 251 CO 0.00 1.01 -0.08 0.87 -2.65 0.00 0.00 178.83 177.98 3fgo h LYS 252 N -0.96 0.00 0.07 1.69 1.79 0.56 -0.79 116.57 118.93 3fgo h LYS 252 Ca -0.14 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.32 3fgo h LYS 252 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 3fgo h LYS 252 CO -0.07 0.08 -0.03 -0.07 -1.08 0.00 0.00 179.45 178.28 3fgo h LEU 253 N 0.00 -0.07 -1.82 2.94 3.38 -1.20 -3.04 115.31 115.50 3fgo h LEU 253 Ca -0.00 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.26 3fgo h LEU 253 Cb 0.37 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3fgo h LEU 253 CO 0.01 -0.01 0.85 0.44 0.09 0.00 0.00 178.44 179.81 3fgo h ASP 254 N -0.17 0.00 -0.28 -0.43 3.32 -1.48 1.12 116.42 118.51 3fgo h ASP 254 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3fgo h ASP 254 Cb 0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3fgo h ASP 254 CO 0.01 0.00 0.18 -0.08 -1.72 0.00 0.00 179.24 177.64 3fgo h GLU 255 N 0.00 0.36 0.02 3.56 4.81 -1.18 -2.60 114.58 119.55 3fgo h GLU 255 Ca 0.47 -0.02 -0.26 0.00 -0.13 0.00 0.00 59.36 59.42 3fgo h GLU 255 Cb 2.16 -0.08 0.02 0.00 0.63 0.00 0.00 28.75 31.48 3fgo h GLU 255 CO -0.00 0.24 -1.06 0.35 -0.73 0.00 0.00 179.01 177.80 3fgo h PHE 256 N 0.38 0.94 0.00 0.92 3.57 0.10 -2.59 116.94 120.26 3fgo h PHE 256 Ca 0.10 -0.53 0.00 0.00 3.53 0.00 0.00 57.97 61.07 3fgo h PHE 256 Cb -0.04 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.60 3fgo h PHE 256 CO -0.06 1.37 0.03 0.41 -2.23 0.00 0.00 178.31 177.82 3fgo n GLY 257 N 1.11 -0.22 0.28 2.40 0.00 0.25 -0.83 105.19 108.18 3fgo n GLY 257 Ca -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 3fgo n GLY 257 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fgo n GLU 258 N -1.19 0.21 -0.04 1.61 1.02 -0.99 -2.79 120.64 118.47 3fgo n GLU 258 Ca 0.00 0.06 -0.05 0.00 -0.02 0.00 0.00 57.16 57.16 3fgo n GLU 258 Cb 0.03 -1.05 -0.03 0.00 -0.02 0.00 0.00 31.44 30.36 3fgo n GLU 258 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3fgo h GLN 259 N -0.12 -0.14 -0.20 3.49 1.08 -0.81 -2.48 115.11 115.94 3fgo h GLN 259 Ca -0.21 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.05 3fgo h GLN 259 Cb 1.27 0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 28.66 3fgo h GLN 259 CO -0.07 -0.09 -0.31 1.25 -0.95 0.00 0.00 178.83 178.66 3fgo h LEU 260 N -0.14 -0.99 -1.72 1.46 5.85 -1.27 -1.19 115.31 117.31 3fgo h LEU 260 Ca 0.02 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3fgo h LEU 260 Cb 0.20 0.43 0.00 0.00 0.37 0.00 0.00 40.66 41.66 3fgo h LEU 260 CO -0.18 -0.34 0.17 0.77 -0.34 0.00 0.00 178.44 178.52 3fgo h SER 261 N -0.35 0.00 -0.00 1.25 4.64 -1.70 0.93 113.55 118.32 3fgo h SER 261 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3fgo h SER 261 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3fgo h SER 261 CO -0.39 0.00 -0.66 0.29 -0.87 0.00 0.00 176.83 175.20 3fgo n LYS 262 N -2.52 1.93 0.10 4.77 4.76 -0.56 -3.83 118.16 122.80 3fgo n LYS 262 Ca -0.02 -0.12 -0.19 0.00 -2.87 0.00 0.00 58.31 55.11 3fgo n LYS 262 Cb 0.21 -1.23 -0.15 0.00 -1.84 0.00 0.00 35.03 32.03 3fgo n LYS 262 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3fgo h VAL 263 N 0.27 1.26 0.62 -0.18 2.07 0.18 -3.10 116.25 117.38 3fgo h VAL 263 Ca 0.00 -2.83 -0.02 0.00 0.82 0.00 0.00 66.70 64.67 3fgo h VAL 263 Cb 0.39 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 3fgo h VAL 263 CO 0.00 0.84 -0.49 0.40 0.02 0.00 0.00 177.57 178.34 3fgo h ILE 264 N 0.09 0.03 -0.75 4.57 2.04 -0.90 -1.83 117.51 120.77 3fgo h ILE 264 Ca -0.22 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.77 3fgo h ILE 264 Cb 2.05 0.03 -0.09 0.00 -0.74 0.00 0.00 36.82 38.07 3fgo h ILE 264 CO 0.20 0.00 0.31 0.77 0.00 0.00 0.00 178.15 179.43 3fgo h SER 265 N -1.08 0.30 0.23 1.72 4.64 -1.70 0.38 113.55 118.04 3fgo h SER 265 Ca -0.08 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3fgo h SER 265 Cb 0.90 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3fgo h SER 265 CO 0.01 0.12 0.00 0.18 -0.87 0.00 0.00 176.83 176.27 3fgo n LEU 266 N -4.99 0.00 -0.09 5.97 4.77 -1.10 -0.62 117.00 120.94 3fgo n LEU 266 Ca 0.14 0.17 -0.16 0.00 -0.03 0.00 0.00 56.01 56.12 3fgo n LEU 266 Cb 0.40 -0.17 -0.13 0.00 -2.33 0.00 0.00 43.42 41.19 3fgo n LEU 266 CO 0.19 -0.05 -1.13 -0.38 -1.33 0.00 0.00 177.39 174.68 3fgo n ILE 267 N -1.17 1.54 0.30 -0.08 5.41 0.10 -3.53 119.36 121.94 3fgo n ILE 267 Ca 0.13 -0.67 0.18 0.00 1.00 0.00 0.00 62.75 63.40 3fgo n ILE 267 Cb 0.13 -1.25 0.97 0.00 -0.71 0.00 0.00 39.64 38.78 3fgo n ILE 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3fgo h VAL 269 N 0.00 1.00 0.00 0.00 3.04 -1.03 -2.80 116.25 116.47 3fgo h VAL 269 Ca -0.00 -2.75 0.00 0.00 -1.01 0.00 0.00 66.70 62.94 3fgo h VAL 269 Cb 0.18 2.60 0.00 0.00 -2.01 0.00 0.00 31.29 32.05 3fgo h VAL 269 CO 0.00 0.72 0.00 0.00 -1.01 0.00 0.00 177.57 177.29 3fgo h ALA 270 N 0.66 1.00 0.12 3.17 0.00 -1.44 -2.52 119.26 120.25 3fgo h ALA 270 Ca -0.27 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.37 3fgo h ALA 270 Cb 1.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.79 3fgo h ALA 270 CO 0.12 0.00 -1.23 0.28 0.00 0.00 0.00 179.25 178.42 3fgo h VAL 271 N 0.00 1.50 0.00 0.00 2.07 -0.69 -3.27 116.25 115.87 3fgo h VAL 271 Ca 0.00 -3.06 0.00 0.00 0.82 0.00 0.00 66.70 64.46 3fgo h VAL 271 Cb 0.82 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.52 3fgo h VAL 271 CO 0.00 0.89 0.00 -0.25 0.02 0.00 0.00 177.57 178.23 3fgo h TRP 272 N 0.08 0.00 -0.07 1.57 7.01 -1.24 -0.90 115.95 122.41 3fgo h TRP 272 Ca -0.13 0.00 -0.11 0.00 2.11 0.00 0.00 58.89 60.76 3fgo h TRP 272 Cb 1.96 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 29.02 3fgo h TRP 272 CO 0.06 0.00 -0.39 -0.07 -2.79 0.00 0.00 178.44 175.25 3fgo h LEU 273 N 0.00 0.46 0.00 0.65 3.38 -1.51 -2.38 115.31 115.91 3fgo h LEU 273 Ca 0.00 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.30 3fgo h LEU 273 Cb 0.63 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3fgo h LEU 273 CO 0.00 1.05 -0.13 0.40 0.09 0.00 0.00 178.44 179.85 3fgo h ILE 274 N -0.10 0.00 0.00 1.22 2.04 -1.62 -2.73 117.51 116.32 3fgo h ILE 274 Ca -0.03 -0.87 -0.05 0.00 1.00 0.00 0.00 64.86 64.91 3fgo h ILE 274 Cb 1.05 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 3fgo h ILE 274 CO 0.08 0.00 -0.24 -1.13 0.00 0.00 0.00 178.15 176.86 3fgo h ASN 275 N 0.00 0.00 0.09 1.72 -0.00 -1.16 -2.61 115.58 113.62 3fgo h ASN 275 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 3fgo h ASN 275 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.26 3fgo h ASN 275 CO 0.00 0.24 -0.55 0.00 -0.00 0.00 0.00 177.43 177.12 3fgo n ILE 276 N -3.29 0.00 -0.25 2.57 0.13 -0.90 -4.23 119.36 113.39 3fgo n ILE 276 Ca 0.01 -0.15 -0.06 0.00 -1.10 0.00 0.00 62.75 61.45 3fgo n ILE 276 Cb 0.50 0.92 0.05 0.00 -0.84 0.00 0.00 39.64 40.27 3fgo n ILE 276 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 3fgo h GLY 277 N 4.91 1.06 -4.74 4.50 0.00 -1.14 -3.03 103.07 104.64 3fgo h GLY 277 Ca 0.00 -0.53 -0.67 0.00 0.00 0.00 0.00 47.33 46.13 3fgo h GLY 277 CO 0.00 0.50 0.05 -2.39 0.00 0.00 0.00 176.54 174.70 3fgo n HIS 278 N -4.44 3.23 1.02 5.60 -0.00 -1.25 -4.34 115.22 115.04 3fgo n HIS 278 Ca 0.05 -2.78 0.11 0.00 -0.00 0.00 0.00 57.72 55.10 3fgo n HIS 278 Cb 0.13 -0.56 -0.01 0.00 -0.00 0.00 0.00 29.99 29.55 3fgo n HIS 278 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 3fgo n PHE 279 N -0.50 0.00 1.90 -1.40 7.35 -1.14 -4.19 117.46 119.47 3fgo n PHE 279 Ca 0.45 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 57.30 3fgo n PHE 279 Cb 0.47 -0.03 0.87 0.00 0.35 0.00 0.00 39.48 41.15 3fgo n PHE 279 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 3fgo n ASN 280 N -0.89 0.24 -2.85 -2.13 0.23 -1.26 -4.12 115.26 104.48 3fgo n ASN 280 Ca 0.07 -1.05 -0.11 0.00 -0.53 0.00 0.00 54.58 52.95 3fgo n ASN 280 Cb 0.38 -0.01 0.05 0.00 -2.08 0.00 0.00 39.78 38.12 3fgo n ASN 280 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3fgo n ASP 281 N -0.82 -0.49 0.00 0.53 5.68 -1.26 -4.93 116.55 115.26 3fgo n ASP 281 Ca 0.23 -3.04 0.12 0.00 -0.50 0.00 0.00 54.79 51.59 3fgo n ASP 281 Cb 0.15 0.45 0.56 0.00 -1.14 0.00 0.00 41.12 41.15 3fgo n ASP 281 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.20 173.22 3fgo n PRO 282 N 0.06 0.16 -0.46 0.11 -0.02 -1.26 -4.85 135.00 128.74 3fgo n PRO 282 Ca 0.11 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3fgo n PRO 282 Cb 0.74 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 3fgo n PRO 282 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3fgo n VAL 283 N -1.40 0.00 -3.38 -1.45 0.31 -1.26 -4.07 118.33 107.07 3fgo n VAL 283 Ca 0.08 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.15 3fgo n VAL 283 Cb 0.24 -0.15 -0.05 0.00 -0.91 0.00 0.00 33.84 32.97 3fgo n VAL 283 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3fgo n HIS 284 N -2.00 -0.83 -0.33 3.52 8.25 -1.26 -4.66 115.22 117.90 3fgo n HIS 284 Ca 0.00 0.42 0.01 0.00 -0.26 0.00 0.00 57.72 57.88 3fgo n HIS 284 Cb 0.00 -1.19 0.01 0.00 1.12 0.00 0.00 29.99 29.92 3fgo n HIS 284 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fgo n GLY 285 N -0.82 1.58 0.08 -1.41 0.00 -1.26 -4.67 105.19 98.69 3fgo n GLY 285 Ca 0.07 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.08 3fgo n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fgo n GLY 286 N -0.42 3.86 1.23 -0.02 0.00 -1.26 -5.03 105.19 103.55 3fgo n GLY 286 Ca 0.01 -0.55 0.15 0.00 0.00 0.00 0.00 46.02 45.63 3fgo n GLY 286 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fgo n SER 287 N -0.89 -6.78 -1.52 1.61 3.41 -1.26 -2.91 113.62 105.28 3fgo n SER 287 Ca 0.08 0.76 -0.09 0.00 -0.26 0.00 0.00 58.87 59.36 3fgo n SER 287 Cb 0.45 -3.94 0.05 0.00 -0.26 0.00 0.00 64.21 60.50 3fgo n SER 287 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3fgo n TRP 288 N -3.75 1.05 0.00 7.33 7.02 -1.26 -3.67 117.44 124.17 3fgo n TRP 288 Ca -0.03 -1.16 0.00 0.00 -1.02 0.00 0.00 57.50 55.29 3fgo n TRP 288 Cb 0.64 -0.58 0.00 0.00 -2.42 0.00 0.00 31.31 28.95 3fgo n TRP 288 CO 0.00 0.00 0.00 1.51 -2.02 0.00 0.00 177.69 177.18 3fgo n ILE 289 N 0.16 0.00 0.08 -0.99 3.06 -1.26 -4.57 119.36 115.84 3fgo n ILE 289 Ca 0.20 0.00 0.01 0.00 -2.50 0.00 0.00 62.75 60.46 3fgo n ILE 289 Cb 0.80 -0.34 0.05 0.00 0.54 0.00 0.00 39.64 40.68 3fgo n ILE 289 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 3fgo n ARG 290 N -1.54 0.01 -0.03 9.51 1.74 -1.15 -2.77 116.66 122.43 3fgo n ARG 290 Ca 0.00 0.39 -0.07 0.00 -0.77 0.00 0.00 57.85 57.41 3fgo n ARG 290 Cb 0.22 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.14 3fgo n ARG 290 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fgo n GLY 291 N -1.22 -0.13 0.32 -0.13 0.00 -1.26 -4.35 105.19 98.43 3fgo n GLY 291 Ca 0.01 -0.05 0.22 0.00 0.00 0.00 0.00 46.02 46.20 3fgo n GLY 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fgo h ALA 292 N -0.26 1.02 -0.00 4.61 0.00 -1.80 0.36 119.26 123.19 3fgo h ALA 292 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3fgo h ALA 292 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3fgo h ALA 292 CO -0.09 -0.02 -0.77 -0.89 0.00 0.00 0.00 179.25 177.48 3fgo n ILE 293 N -3.00 0.00 0.14 0.00 5.41 -1.11 -3.18 119.36 117.62 3fgo n ILE 293 Ca -0.03 -0.07 0.09 0.00 1.00 0.00 0.00 62.75 63.74 3fgo n ILE 293 Cb 0.08 0.95 0.06 0.00 -0.71 0.00 0.00 39.64 40.02 3fgo n ILE 293 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 3fgo h TYR 294 N 0.69 0.00 0.36 1.39 5.03 -0.55 -3.19 116.97 120.71 3fgo h TYR 294 Ca 0.00 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 3fgo h TYR 294 Cb 0.57 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.85 3fgo h TYR 294 CO 0.00 0.14 -0.18 -0.92 -1.32 0.00 0.00 178.16 175.89 3fgo h TYR 295 N 0.00 -0.45 -0.55 -3.82 3.20 -1.09 -3.10 116.97 111.15 3fgo h TYR 295 Ca -0.02 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.72 3fgo h TYR 295 Cb 1.13 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.53 3fgo h TYR 295 CO 0.00 -0.15 -0.11 0.74 -1.64 0.00 0.00 178.16 177.00 3fgo h PHE 296 N -1.01 1.17 -1.20 -3.82 0.05 -1.71 0.14 116.94 110.56 3fgo h PHE 296 Ca -0.05 -0.24 0.35 0.00 3.82 0.00 0.00 57.97 61.84 3fgo h PHE 296 Cb 0.51 -0.29 -0.05 0.00 2.00 0.00 0.00 35.95 38.12 3fgo h PHE 296 CO 0.03 1.08 0.99 -0.22 -0.18 0.00 0.00 178.31 180.00 3fgo h LYS 297 N 0.93 0.00 0.09 1.51 3.64 -1.67 0.69 116.57 121.76 3fgo h LYS 297 Ca 0.14 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.15 3fgo h LYS 297 Cb 0.69 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 3fgo h LYS 297 CO 0.05 0.00 -2.13 -0.89 -2.27 0.00 0.00 179.45 174.21 3fgo n ILE 298 N -3.85 1.70 0.13 2.00 2.08 0.15 -3.70 119.36 117.87 3fgo n ILE 298 Ca 0.26 -0.64 0.03 0.00 0.56 0.00 0.00 62.75 62.97 3fgo n ILE 298 Cb 1.37 -1.62 0.43 0.00 -0.75 0.00 0.00 39.64 39.07 3fgo n ILE 298 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3fgo h ALA 299 N 0.08 1.60 -0.07 -1.39 0.00 0.12 0.68 119.26 120.29 3fgo h ALA 299 Ca -0.47 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.09 3fgo h ALA 299 Cb 2.00 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.72 3fgo h ALA 299 CO 0.04 0.30 -0.71 0.28 0.00 0.00 0.00 179.25 179.16 3fgo h VAL 300 N 0.22 1.34 -0.05 0.00 2.07 -1.16 -2.36 116.25 116.31 3fgo h VAL 300 Ca 0.05 -2.01 -0.06 0.00 0.82 0.00 0.00 66.70 65.50 3fgo h VAL 300 Cb 0.28 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 3fgo h VAL 300 CO 0.01 0.61 -0.23 0.00 0.02 0.00 0.00 177.57 177.99 3fgo h ALA 301 N 0.44 1.53 0.15 1.67 0.00 -1.53 -1.07 119.26 120.45 3fgo h ALA 301 Ca -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3fgo h ALA 301 Cb 1.37 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3fgo h ALA 301 CO 0.14 0.34 -0.07 -0.07 0.00 0.00 0.00 179.25 179.59 3fgo h LEU 302 N 0.08 -0.18 -0.07 0.00 3.38 -0.84 0.67 115.31 118.34 3fgo h LEU 302 Ca 0.01 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.68 3fgo h LEU 302 Cb 0.45 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 3fgo h LEU 302 CO 0.03 0.30 -0.38 0.00 0.09 0.00 0.00 178.44 178.48 3fgo h ALA 303 N -0.00 -0.54 -0.87 1.53 0.00 -1.31 -0.12 119.26 117.95 3fgo h ALA 303 Ca -0.02 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3fgo h ALA 303 Cb 0.51 0.70 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 3fgo h ALA 303 CO 0.03 -0.89 0.57 0.28 0.00 0.00 0.00 179.25 179.25 3fgo h VAL 304 N -0.49 1.12 -0.02 0.00 2.07 -1.21 -1.33 116.25 116.40 3fgo h VAL 304 Ca 0.07 -0.36 -0.16 0.00 0.82 0.00 0.00 66.70 67.07 3fgo h VAL 304 Cb 0.61 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 3fgo h VAL 304 CO -0.35 0.19 -0.72 0.00 0.02 0.00 0.00 177.57 176.72 3fgo h ALA 305 N 1.50 0.76 0.03 1.67 0.00 -0.39 -3.33 119.26 119.51 3fgo h ALA 305 Ca 0.35 -0.64 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 3fgo h ALA 305 Cb 0.07 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.78 3fgo h ALA 305 CO -0.11 0.85 -0.57 0.00 0.00 0.00 0.00 179.25 179.42 3fgo h ALA 306 N 1.19 0.03 -2.24 0.00 0.00 -0.42 -3.40 119.26 114.42 3fgo h ALA 306 Ca -0.02 -0.58 -0.57 0.00 0.00 0.00 0.00 54.91 53.75 3fgo h ALA 306 Cb 1.28 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 3fgo h ALA 306 CO 0.10 0.30 0.58 0.42 0.00 0.00 0.00 179.25 180.66 3fgo s ILE 307 N -3.00 4.78 -1.25 0.00 1.01 -0.56 -4.89 121.20 117.29 3fgo s ILE 307 Ca -0.14 1.95 -0.17 0.00 0.00 0.00 0.00 60.65 62.29 3fgo s ILE 307 Cb 0.02 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 3fgo s ILE 307 CO 0.81 -0.04 2.10 -2.65 0.00 0.00 0.00 174.94 175.16 3fgo n PRO 308 N 5.37 2.47 -0.92 2.79 -0.02 -1.26 -4.88 135.00 138.55 3fgo n PRO 308 Ca 0.09 -2.43 -0.33 0.00 -2.02 0.00 0.00 63.50 58.80 3fgo n PRO 308 Cb 0.48 -3.21 0.12 0.00 -0.02 0.00 0.00 33.50 30.87 3fgo n PRO 308 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3fgo n GLU 309 N 6.57 -0.12 -0.62 -0.52 0.00 -1.26 -1.32 120.64 123.37 3fgo n GLU 309 Ca 0.51 0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.69 3fgo n GLU 309 Cb 0.40 -2.06 0.00 0.00 0.00 0.00 0.00 31.44 29.78 3fgo n GLU 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3fgo n GLY 310 N 1.12 0.48 0.13 -1.84 0.00 -1.26 -4.39 105.19 99.43 3fgo n GLY 310 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 3fgo n GLY 310 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fgo h LEU 311 N 0.00 0.07 -0.67 0.99 6.46 -1.48 -2.33 115.31 118.36 3fgo h LEU 311 Ca 0.00 0.03 0.12 0.00 -0.12 0.00 0.00 57.88 57.91 3fgo h LEU 311 Cb 0.00 0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 39.88 3fgo h LEU 311 CO 0.00 0.08 0.23 -0.65 -0.62 0.00 0.00 178.44 177.48 3fgo h PRO 312 N 0.20 0.38 -0.34 5.25 0.11 -1.87 -0.58 132.00 135.15 3fgo h PRO 312 Ca 0.13 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.27 3fgo h PRO 312 Cb 0.11 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 31.07 3fgo h PRO 312 CO -0.14 0.25 -0.02 0.00 -0.21 0.00 0.00 178.00 177.88 3fgo h ALA 313 N 1.48 0.28 -0.01 -0.75 0.00 -1.85 0.40 119.26 118.82 3fgo h ALA 313 Ca 0.35 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.24 3fgo h ALA 313 Cb 0.49 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3fgo h ALA 313 CO -0.37 -0.42 -0.61 -0.24 0.00 0.00 0.00 179.25 177.62 3fgo h VAL 314 N 0.07 1.43 -0.19 0.00 3.04 -0.82 -1.26 116.25 118.52 3fgo h VAL 314 Ca 0.16 -2.08 -0.16 0.00 -1.01 0.00 0.00 66.70 63.61 3fgo h VAL 314 Cb 0.23 2.12 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 3fgo h VAL 314 CO -0.29 0.60 -0.50 0.40 -1.01 0.00 0.00 177.57 176.76 3fgo h ILE 315 N 0.02 1.32 0.15 3.17 2.04 -0.68 -1.39 117.51 122.13 3fgo h ILE 315 Ca -0.01 -1.74 -0.01 0.00 1.00 0.00 0.00 64.86 64.11 3fgo h ILE 315 Cb 1.08 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 3fgo h ILE 315 CO 0.08 0.54 -0.07 0.74 0.00 0.00 0.00 178.15 179.44 3fgo h THR 316 N 0.36 0.91 -0.62 -0.27 2.02 -0.87 -1.03 112.91 113.41 3fgo h THR 316 Ca -0.01 -0.25 0.12 0.00 0.77 0.00 0.00 66.41 67.04 3fgo h THR 316 Cb 1.12 1.07 -0.09 0.00 -1.74 0.00 0.00 68.15 68.51 3fgo h THR 316 CO 0.11 0.06 0.15 0.74 0.37 0.00 0.00 175.52 176.95 3fgo h THR 317 N -0.32 0.64 -0.04 3.16 2.02 -1.23 0.34 112.91 117.48 3fgo h THR 317 Ca -0.02 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.08 3fgo h THR 317 Cb 0.25 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 3fgo h THR 317 CO 0.03 0.05 -0.07 0.00 0.37 0.00 0.00 175.52 175.90 3fgo h LEU 319 N -0.11 -0.67 -1.28 0.00 4.07 -0.10 -2.11 115.31 115.10 3fgo h LEU 319 Ca 0.04 0.04 0.26 0.00 0.08 0.00 0.00 57.88 58.30 3fgo h LEU 319 Cb 0.17 0.19 -0.10 0.00 1.08 0.00 0.00 40.66 42.00 3fgo h LEU 319 CO -0.10 -0.44 0.65 0.00 -1.08 0.00 0.00 178.44 177.47 3fgo h ALA 320 N -0.20 2.13 0.11 1.53 0.00 -0.25 0.19 119.26 122.77 3fgo h ALA 320 Ca -0.06 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3fgo h ALA 320 Cb 0.57 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3fgo h ALA 320 CO 0.07 -0.56 -0.05 -0.07 0.00 0.00 0.00 179.25 178.64 3fgo h LEU 321 N 0.44 -0.13 -0.74 0.00 3.38 -0.98 -1.75 115.31 115.53 3fgo h LEU 321 Ca 0.61 -0.30 0.17 0.00 0.09 0.00 0.00 57.88 58.45 3fgo h LEU 321 Cb 1.45 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 42.11 3fgo h LEU 321 CO -0.34 0.24 0.11 1.23 0.09 0.00 0.00 178.44 179.77 3fgo h GLY 322 N -0.52 0.95 0.80 0.83 0.00 -0.10 0.21 103.07 105.24 3fgo h GLY 322 Ca -0.02 0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.37 3fgo h GLY 322 CO 0.03 -0.24 0.28 -0.84 0.00 0.00 0.00 176.54 175.77 3fgo h THR 323 N 0.19 1.00 -0.58 4.70 2.02 -0.68 0.94 112.91 120.50 3fgo h THR 323 Ca 0.41 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 67.30 3fgo h THR 323 Cb 0.72 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 3fgo h THR 323 CO -0.57 0.10 -0.04 -0.09 0.37 0.00 0.00 175.52 175.29 3fgo h ARG 324 N 0.56 1.05 -0.77 6.66 2.43 -0.24 -0.73 114.38 123.35 3fgo h ARG 324 Ca 0.22 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3fgo h ARG 324 Cb 0.08 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 3fgo h ARG 324 CO -0.12 1.05 0.50 0.00 -1.51 0.00 0.00 179.97 179.88 3fgo h ARG 325 N 0.95 1.02 -0.09 0.20 3.08 -0.08 -2.64 114.38 116.82 3fgo h ARG 325 Ca 0.16 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 3fgo h ARG 325 Cb 0.60 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3fgo h ARG 325 CO 0.04 0.69 -0.51 0.52 -1.07 0.00 0.00 179.97 179.63 3fgo h MET 326 N 1.04 0.24 -0.10 0.04 2.86 -0.39 -2.78 114.93 115.84 3fgo h MET 326 Ca 0.28 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3fgo h MET 326 Cb -0.10 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 3fgo h MET 326 CO -0.06 0.70 0.07 0.00 1.06 0.00 0.00 176.91 178.67 3fgo h ALA 327 N 1.28 1.92 0.00 6.32 0.00 -0.79 0.11 119.26 128.10 3fgo h ALA 327 Ca 0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3fgo h ALA 327 Cb 0.97 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3fgo h ALA 327 CO 0.08 0.07 -0.29 0.87 0.00 0.00 0.00 179.25 179.98 3fgo h LYS 328 N 0.14 0.00 -0.66 0.00 1.57 -1.25 0.60 116.57 116.97 3fgo h LYS 328 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3fgo h LYS 328 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3fgo h LYS 328 CO -0.01 0.29 0.00 1.63 -0.57 0.00 0.00 179.45 180.79 3fgo n LYS 329 N -4.04 3.23 -1.27 3.15 5.02 -0.13 -4.92 118.16 119.20 3fgo n LYS 329 Ca -0.02 -2.01 -0.09 0.00 -2.02 0.00 0.00 58.31 54.17 3fgo n LYS 329 Cb 0.35 -1.85 -0.04 0.00 -0.02 0.00 0.00 35.03 33.47 3fgo n LYS 329 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fgo n ASN 330 N 0.55 -4.81 -4.60 4.39 3.02 0.20 -4.92 115.26 109.09 3fgo n ASN 330 Ca 0.18 0.23 -0.40 0.00 -0.03 0.00 0.00 54.58 54.56 3fgo n ASN 330 Cb 0.76 -3.12 -0.09 0.00 -0.61 0.00 0.00 39.78 36.73 3fgo n ASN 330 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fgo s ALA 331 N -2.11 3.56 -0.40 5.41 0.00 -0.32 -1.05 121.76 126.85 3fgo s ALA 331 Ca 0.00 -0.81 -0.18 0.00 0.00 0.00 0.00 51.96 50.97 3fgo s ALA 331 Cb 0.00 -2.78 0.01 0.00 0.00 0.00 0.00 23.12 20.35 3fgo s ALA 331 CO 0.00 -0.75 0.50 0.42 0.00 0.00 0.00 175.76 175.93 3fgo s ILE 332 N 2.15 5.01 -0.24 0.00 1.01 -0.44 -2.75 121.20 125.94 3fgo s ILE 332 Ca 0.16 -0.04 -0.17 0.00 0.00 0.00 0.00 60.65 60.60 3fgo s ILE 332 Cb -0.16 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 3fgo s ILE 332 CO 0.10 -0.39 0.46 -0.69 0.00 0.00 0.00 174.94 174.41 3fgo s VAL 333 N 2.36 5.13 -0.11 2.92 1.01 -1.26 -1.67 120.40 128.77 3fgo s VAL 333 Ca 0.16 0.78 0.17 0.00 0.00 0.00 0.00 61.98 63.09 3fgo s VAL 333 Cb -0.16 -3.78 -0.18 0.00 0.00 0.00 0.00 36.38 32.26 3fgo s VAL 333 CO 0.15 0.16 0.65 0.54 0.00 0.00 0.00 175.10 176.60 3fgo n ARG 334 N 5.11 0.64 -4.06 2.72 1.74 0.29 -4.72 116.66 118.39 3fgo n ARG 334 Ca -0.06 0.17 -0.33 0.00 -0.77 0.00 0.00 57.85 56.85 3fgo n ARG 334 Cb 0.50 -1.74 -0.15 0.00 -1.02 0.00 0.00 32.46 30.05 3fgo n ARG 334 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3fgo s SER 335 N -5.68 3.76 0.20 0.55 0.15 -1.24 -4.97 113.70 106.47 3fgo s SER 335 Ca -0.05 -0.84 -0.18 0.00 0.70 0.00 0.00 55.95 55.59 3fgo s SER 335 Cb 0.09 -1.56 0.19 0.00 -1.71 0.00 0.00 66.02 63.03 3fgo s SER 335 CO 0.82 -0.07 1.59 -0.07 1.20 0.00 0.00 173.24 176.71 3fgo h LEU 336 N 7.93 -1.04 -2.00 3.45 4.07 -1.84 0.01 115.31 125.89 3fgo h LEU 336 Ca -0.37 0.23 0.16 0.00 0.08 0.00 0.00 57.88 57.98 3fgo h LEU 336 Cb 1.11 0.56 -0.02 0.00 1.08 0.00 0.00 40.66 43.39 3fgo h LEU 336 CO 0.58 -0.28 0.44 -0.65 -1.08 0.00 0.00 178.44 177.45 3fgo h PRO 337 N -0.10 0.00 0.00 1.13 0.11 -1.97 -1.78 132.00 129.40 3fgo h PRO 337 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 3fgo h PRO 337 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3fgo h PRO 337 CO -0.74 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 177.82 3fgo h SER 338 N 0.00 0.00 0.53 -2.05 0.02 -1.39 -2.46 113.55 108.19 3fgo h SER 338 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3fgo h SER 338 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 3fgo h SER 338 CO -0.00 0.00 0.00 1.62 -1.14 0.00 0.00 176.83 177.31 3fgo h VAL 339 N 0.00 0.00 0.00 2.27 3.04 -1.41 -2.35 116.25 117.80 3fgo h VAL 339 Ca 0.00 -0.26 -0.29 0.00 -1.01 0.00 0.00 66.70 65.14 3fgo h VAL 339 Cb 0.52 1.25 -0.05 0.00 -2.01 0.00 0.00 31.29 31.00 3fgo h VAL 339 CO 0.00 0.00 -2.30 1.21 -1.01 0.00 0.00 177.57 175.47 3fgo n GLU 340 N -3.05 0.69 0.12 4.17 0.00 -0.93 -3.79 120.64 117.84 3fgo n GLU 340 Ca -0.01 -0.05 0.03 0.00 0.00 0.00 0.00 57.16 57.12 3fgo n GLU 340 Cb 0.19 -1.52 0.40 0.00 0.00 0.00 0.00 31.44 30.52 3fgo n GLU 340 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 3fgo h THR 341 N 0.00 1.16 -0.23 6.31 1.35 -1.36 0.48 112.91 120.63 3fgo h THR 341 Ca -0.43 -0.71 0.06 0.00 -0.55 0.00 0.00 66.41 64.78 3fgo h THR 341 Cb 1.97 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 69.54 3fgo h THR 341 CO 0.02 0.22 0.16 -0.07 -0.25 0.00 0.00 175.52 175.61 3fgo h LEU 342 N 0.23 0.02 -0.87 3.87 3.38 -1.81 -2.10 115.31 118.02 3fgo h LEU 342 Ca 0.05 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.25 3fgo h LEU 342 Cb 0.33 -0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.93 3fgo h LEU 342 CO 0.02 0.01 0.15 1.23 0.09 0.00 0.00 178.44 179.94 3fgo h GLY 343 N 0.02 1.24 -2.09 0.83 0.00 -0.17 -1.70 103.07 101.20 3fgo h GLY 343 Ca 0.11 0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.36 3fgo h GLY 343 CO -0.00 -0.38 0.03 0.00 0.00 0.00 0.00 176.54 176.19 3fgo s THR 345 N -3.00 3.58 -0.01 0.00 2.01 -0.64 -4.54 115.64 113.03 3fgo s THR 345 Ca 0.45 1.44 0.00 0.00 0.31 0.00 0.00 61.69 63.90 3fgo s THR 345 Cb 0.38 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 69.03 3fgo s THR 345 CO 0.07 0.23 0.01 -1.54 -0.69 0.00 0.00 174.62 172.70 3fgo n SER 346 N 0.72 1.87 -3.78 3.53 3.41 -0.73 -4.77 113.62 113.86 3fgo n SER 346 Ca 0.01 -0.32 -0.20 0.00 -0.26 0.00 0.00 58.87 58.10 3fgo n SER 346 Cb 0.47 1.01 -0.17 0.00 -0.26 0.00 0.00 64.21 65.25 3fgo n SER 346 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3fgo s VAL 347 N -1.41 0.24 -0.43 -3.33 1.01 -1.17 -1.58 120.40 113.73 3fgo s VAL 347 Ca 0.00 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 3fgo s VAL 347 Cb 0.00 -0.38 0.07 0.00 0.00 0.00 0.00 36.38 36.08 3fgo s VAL 347 CO 0.02 0.21 0.29 -0.63 0.00 0.00 0.00 175.10 174.98 3fgo s ILE 348 N 1.62 4.46 0.33 2.22 1.01 0.72 -0.32 121.20 131.24 3fgo s ILE 348 Ca -0.01 -1.30 -0.26 0.00 0.00 0.00 0.00 60.65 59.07 3fgo s ILE 348 Cb -0.13 -3.70 -0.09 0.00 0.01 0.00 0.00 42.46 38.55 3fgo s ILE 348 CO -0.03 -0.51 1.01 0.00 0.00 0.00 0.00 174.94 175.41 3fgo s SER 350 N -1.41 -0.23 0.65 0.00 0.15 0.19 -0.74 113.70 112.31 3fgo s SER 350 Ca 0.51 0.45 -0.17 0.00 0.70 0.00 0.00 55.95 57.44 3fgo s SER 350 Cb -0.23 0.40 -0.01 0.00 -1.71 0.00 0.00 66.02 64.48 3fgo s SER 350 CO 0.29 -0.12 1.21 -0.62 1.20 0.00 0.00 173.24 175.20 3fgo s ASP 351 N 0.65 4.79 0.00 5.45 2.15 -0.03 0.29 116.67 129.96 3fgo s ASP 351 Ca -0.04 2.37 0.00 0.00 0.43 0.00 0.00 52.55 55.30 3fgo s ASP 351 Cb -0.06 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 3fgo s ASP 351 CO -0.04 -1.86 0.00 1.17 -0.17 0.00 0.00 175.17 174.27 3fgo n LYS 352 N -2.07 0.00 -1.65 4.34 4.81 -1.26 -3.17 118.16 119.16 3fgo n LYS 352 Ca 0.13 0.07 -0.43 0.00 -0.87 0.00 0.00 58.31 57.21 3fgo n LYS 352 Cb 0.50 -0.46 -0.03 0.00 0.02 0.00 0.00 35.03 35.06 3fgo n LYS 352 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3fgo n THR 353 N -1.04 0.67 0.00 3.15 -1.04 -1.26 -0.05 114.28 114.71 3fgo n THR 353 Ca 0.00 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 3fgo n THR 353 Cb 0.00 -2.32 0.00 0.00 -1.82 0.00 0.00 70.33 66.19 3fgo n THR 353 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fgo n GLY 354 N 4.81 3.12 0.14 3.41 0.00 -1.04 -4.83 105.19 110.79 3fgo n GLY 354 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3fgo n GLY 354 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fgo n THR 355 N -1.58 0.00 0.07 2.61 -1.04 0.05 -4.67 114.28 109.72 3fgo n THR 355 Ca 0.00 0.33 -0.04 0.00 -2.04 0.00 0.00 64.05 62.30 3fgo n THR 355 Cb 0.00 -1.31 0.17 0.00 -1.82 0.00 0.00 70.33 67.37 3fgo n THR 355 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3fgo h LEU 356 N 0.00 0.32-10.31 -4.42 4.07 -0.42 -3.46 115.31 101.10 3fgo h LEU 356 Ca 0.00 -0.15 -0.52 0.00 0.08 0.00 0.00 57.88 57.28 3fgo h LEU 356 Cb 0.00 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 41.62 3fgo h LEU 356 CO 0.00 0.75 -0.31 0.42 -1.08 0.00 0.00 178.44 178.22 3fgo s THR 357 N -4.05 2.21 -0.38 0.22 -4.23 -0.75 -1.26 115.64 107.41 3fgo s THR 357 Ca -0.05 -1.35 0.23 0.00 -1.18 0.00 0.00 61.69 59.35 3fgo s THR 357 Cb 0.13 -2.56 0.10 0.00 1.34 0.00 0.00 72.50 71.51 3fgo s THR 357 CO 0.79 0.00 1.26 0.71 -0.54 0.00 0.00 174.62 176.83 3fgo h THR 358 N 0.80 0.00 -3.33 3.99 1.35 -1.63 -2.76 112.91 111.33 3fgo h THR 358 Ca -0.38 -0.88 -0.31 0.00 -0.55 0.00 0.00 66.41 64.29 3fgo h THR 358 Cb 1.28 1.53 0.04 0.00 -1.73 0.00 0.00 68.15 69.27 3fgo h THR 358 CO 0.55 0.00 -0.45 -3.20 -0.25 0.00 0.00 175.52 172.16 3fgo n ASN 359 N -2.65 -5.01 -3.82 5.36 5.15 -1.26 -4.65 115.26 108.39 3fgo n ASN 359 Ca 0.02 -0.19 -0.29 0.00 -0.60 0.00 0.00 54.58 53.52 3fgo n ASN 359 Cb 0.52 -3.90 -0.16 0.00 -0.53 0.00 0.00 39.78 35.71 3fgo n ASN 359 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3fgo s GLN 360 N -5.33 1.03 0.19 1.20 -0.21 -1.26 -4.95 119.66 110.34 3fgo s GLN 360 Ca 0.20 -0.72 -0.31 0.00 0.02 0.00 0.00 55.36 54.55 3fgo s GLN 360 Cb -0.09 -2.29 -0.10 0.00 1.00 0.00 0.00 33.01 31.53 3fgo s GLN 360 CO 0.24 -0.66 1.56 1.41 -2.12 0.00 0.00 175.29 175.72 3fgo s MET 361 N 1.65 4.21 -0.05 2.91 -2.45 -1.26 -4.40 119.30 119.91 3fgo s MET 361 Ca -0.02 2.39 0.03 0.00 -1.25 0.00 0.00 55.69 56.84 3fgo s MET 361 Cb -0.18 -3.13 0.00 0.00 1.25 0.00 0.00 34.83 32.78 3fgo s MET 361 CO -0.09 -0.59 -0.14 -1.12 1.05 0.00 0.00 175.02 174.13 3fgo s SER 362 N 0.97 1.88 -0.24 1.11 0.01 -0.23 -4.39 113.70 112.81 3fgo s SER 362 Ca 0.68 -0.31 -0.29 0.00 1.31 0.00 0.00 55.95 57.34 3fgo s SER 362 Cb -0.44 -0.69 -0.00 0.00 0.21 0.00 0.00 66.02 65.10 3fgo s SER 362 CO 0.34 0.09 1.27 -0.69 0.41 0.00 0.00 173.24 174.66 3fgo s VAL 363 N 0.34 4.23 -0.16 3.43 1.01 -1.26 -0.86 120.40 127.13 3fgo s VAL 363 Ca -0.09 1.44 0.06 0.00 0.00 0.00 0.00 61.98 63.39 3fgo s VAL 363 Cb -0.13 -4.10 -0.07 0.00 0.00 0.00 0.00 36.38 32.07 3fgo s VAL 363 CO 0.03 -0.32 0.19 0.00 0.00 0.00 0.00 175.10 175.00 3fgo s LYS 365 N -1.89 0.34 0.16 0.00 1.02 -1.06 -1.27 119.74 117.05 3fgo s LYS 365 Ca 0.00 -0.55 -0.15 0.00 0.02 0.00 0.00 55.97 55.29 3fgo s LYS 365 Cb 0.04 0.13 0.02 0.00 -0.52 0.00 0.00 37.83 37.50 3fgo s LYS 365 CO 0.23 -0.06 0.43 0.00 -0.92 0.00 0.00 175.35 175.03 3fgo s MET 366 N -1.42 1.21 0.19 1.68 0.23 -1.03 -0.06 119.30 120.10 3fgo s MET 366 Ca -0.15 -0.86 -0.17 0.00 -1.03 0.00 0.00 55.69 53.48 3fgo s MET 366 Cb -0.09 0.47 0.03 0.00 -1.53 0.00 0.00 34.83 33.70 3fgo s MET 366 CO -0.00 -0.49 0.49 -0.59 -2.03 0.00 0.00 175.02 172.40 3fgo s PHE 367 N -3.86 -0.08 0.11 3.16 -0.71 0.49 -1.18 117.98 115.90 3fgo s PHE 367 Ca 0.08 -0.26 -0.10 0.00 -1.04 0.00 0.00 56.93 55.60 3fgo s PHE 367 Cb 0.01 0.34 0.01 0.00 -1.21 0.00 0.00 43.02 42.17 3fgo s PHE 367 CO -0.06 -0.88 0.25 0.96 -1.34 0.00 0.00 175.22 174.15 3fgo s ILE 368 N -3.88 0.12 0.24 -4.49 -4.36 -1.03 -1.27 121.20 106.53 3fgo s ILE 368 Ca 0.09 -1.07 -0.30 0.00 -0.26 0.00 0.00 60.65 59.12 3fgo s ILE 368 Cb -0.00 -1.36 -0.09 0.00 1.25 0.00 0.00 42.46 42.25 3fgo s ILE 368 CO -0.03 -0.53 1.32 -0.63 0.24 0.00 0.00 174.94 175.31 3fgo s ILE 369 N -3.86 3.00 -0.05 8.37 -1.09 -1.26 -0.64 121.20 125.68 3fgo s ILE 369 Ca 0.06 0.87 -0.04 0.00 -2.23 0.00 0.00 60.65 59.31 3fgo s ILE 369 Cb 0.04 -3.56 -0.01 0.00 -1.58 0.00 0.00 42.46 37.35 3fgo s ILE 369 CO -0.10 0.15 -0.08 -0.67 -1.23 0.00 0.00 174.94 173.01 3fgo n ASP 370 N 2.08 0.56 -4.12 3.58 4.64 0.12 -4.42 116.55 118.98 3fgo n ASP 370 Ca 0.04 0.20 -0.17 0.00 -1.38 0.00 0.00 54.79 53.48 3fgo n ASP 370 Cb 0.42 -0.59 -0.12 0.00 -1.04 0.00 0.00 41.12 39.79 3fgo n ASP 370 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 3fgo s LYS 371 N -1.49 0.73 -0.07 -0.67 1.02 -1.08 -4.81 119.74 113.38 3fgo s LYS 371 Ca -0.07 -0.81 0.03 0.00 0.02 0.00 0.00 55.97 55.13 3fgo s LYS 371 Cb 0.01 -0.67 0.01 0.00 -0.52 0.00 0.00 37.83 36.66 3fgo s LYS 371 CO 0.10 0.15 -0.13 0.08 -0.92 0.00 0.00 175.35 174.63 3fgo s VAL 372 N -1.16 1.22 -0.38 3.17 1.01 -1.26 -0.61 120.40 122.39 3fgo s VAL 372 Ca -0.03 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.46 3fgo s VAL 372 Cb -0.09 -1.10 0.16 0.00 0.00 0.00 0.00 36.38 35.35 3fgo s VAL 372 CO 0.01 0.37 0.45 -0.62 0.00 0.00 0.00 175.10 175.31 3fgo s ASP 373 N 0.59 0.37 1.79 3.32 3.68 0.11 -5.01 116.67 121.53 3fgo s ASP 373 Ca -0.14 -1.28 0.00 0.00 2.13 0.00 0.00 52.55 53.26 3fgo s ASP 373 Cb -0.16 0.98 0.00 0.00 -1.45 0.00 0.00 42.92 42.30 3fgo s ASP 373 CO 0.04 -0.24 0.00 0.61 0.13 0.00 0.00 175.17 175.71 3fgo n GLY 374 N 4.37 4.12 0.26 2.66 0.00 -1.26 -1.26 105.19 114.08 3fgo n GLY 374 Ca 0.10 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.41 3fgo n GLY 374 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fgo h ASP 375 N 0.00 0.00 -3.32 1.61 3.45 -1.99 -3.43 116.42 112.74 3fgo h ASP 375 Ca 0.00 0.00 -0.59 0.00 0.43 0.00 0.00 57.03 56.87 3fgo h ASP 375 Cb 0.00 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 38.69 3fgo h ASP 375 CO 0.00 0.12 0.37 0.12 -1.57 0.00 0.00 179.24 178.28 3fgo s PHE 376 N -4.08 3.36 -0.08 4.55 5.36 -0.39 -4.71 117.98 121.98 3fgo s PHE 376 Ca -0.02 1.14 0.00 0.00 -0.96 0.00 0.00 56.93 57.09 3fgo s PHE 376 Cb 0.12 -2.99 0.02 0.00 -0.34 0.00 0.00 43.02 39.84 3fgo s PHE 376 CO 0.58 -0.30 -0.06 0.00 -1.46 0.00 0.00 175.22 173.97 3fgo s SER 378 N 1.43 3.19 0.22 0.00 1.04 0.22 -4.99 113.70 114.81 3fgo s SER 378 Ca -0.01 -0.86 0.08 0.00 0.48 0.00 0.00 55.95 55.64 3fgo s SER 378 Cb -0.13 -0.22 -0.04 0.00 0.10 0.00 0.00 66.02 65.72 3fgo s SER 378 CO -0.04 0.08 0.06 -0.76 0.98 0.00 0.00 173.24 173.56 3fgo s LEU 379 N -2.63 3.44 -0.44 2.42 1.43 -1.26 0.13 118.68 121.77 3fgo s LEU 379 Ca 0.19 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.76 3fgo s LEU 379 Cb -0.07 -2.02 0.08 0.00 0.03 0.00 0.00 46.19 44.21 3fgo s LEU 379 CO 0.09 0.03 0.31 0.20 0.23 0.00 0.00 176.35 177.20 3fgo s ASN 380 N -3.43 5.79 0.10 2.29 0.01 0.19 -4.53 114.94 115.35 3fgo s ASN 380 Ca 0.30 -1.49 -0.06 0.00 -0.71 0.00 0.00 52.86 50.90 3fgo s ASN 380 Cb -0.08 -2.04 -0.05 0.00 0.41 0.00 0.00 41.25 39.48 3fgo s ASN 380 CO 0.21 -0.58 0.35 -1.61 -1.51 0.00 0.00 177.10 173.96 3fgo s GLU 381 N 1.48 3.64 0.11 -0.60 2.02 -1.26 -2.48 118.70 121.61 3fgo s GLU 381 Ca 0.03 -0.03 0.03 0.00 0.02 0.00 0.00 54.97 55.02 3fgo s GLU 381 Cb -0.24 -2.94 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 3fgo s GLU 381 CO 0.03 0.53 -0.09 -0.06 0.02 0.00 0.00 175.26 175.69 3fgo s PHE 382 N -1.52 1.05 0.30 1.61 0.40 -0.33 -4.74 117.98 114.75 3fgo s PHE 382 Ca 0.36 -0.75 0.11 0.00 -0.60 0.00 0.00 56.93 56.05 3fgo s PHE 382 Cb -0.13 -0.57 -0.05 0.00 0.51 0.00 0.00 43.02 42.78 3fgo s PHE 382 CO 0.21 -0.03 -0.14 -1.54 0.70 0.00 0.00 175.22 174.42 3fgo s SER 383 N -2.77 3.73 -0.04 1.36 1.04 0.41 -2.46 113.70 114.98 3fgo s SER 383 Ca 0.09 -1.05 0.01 0.00 0.48 0.00 0.00 55.95 55.49 3fgo s SER 383 Cb 0.01 -0.36 0.02 0.00 0.10 0.00 0.00 66.02 65.78 3fgo s SER 383 CO -0.01 -0.05 -0.04 -0.63 0.98 0.00 0.00 173.24 173.49 3fgo s ILE 384 N -2.53 0.44 0.39 -1.02 1.09 -0.40 0.11 121.20 119.29 3fgo s ILE 384 Ca 0.31 -0.09 0.04 0.00 -1.10 0.00 0.00 60.65 59.81 3fgo s ILE 384 Cb -0.03 -0.48 -0.00 0.00 -1.06 0.00 0.00 42.46 40.89 3fgo s ILE 384 CO 0.16 0.20 0.57 0.42 -0.10 0.00 0.00 174.94 176.18 3fgo s THR 385 N 0.82 3.98 0.00 2.92 -4.23 -0.64 -4.51 115.64 113.99 3fgo s THR 385 Ca -0.10 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 3fgo s THR 385 Cb -0.13 -3.42 0.00 0.00 1.34 0.00 0.00 72.50 70.29 3fgo s THR 385 CO -0.00 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 3fgo n GLY 386 N -1.85 3.80 0.60 3.99 0.00 -1.26 -3.89 105.19 106.58 3fgo n GLY 386 Ca 0.01 -1.31 0.06 0.00 0.00 0.00 0.00 46.02 44.78 3fgo n GLY 386 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3fgo n SER 387 N 0.00 2.57 -4.43 1.61 7.64 -1.26 -4.89 113.62 114.86 3fgo n SER 387 Ca 0.00 -1.78 -0.28 0.00 1.01 0.00 0.00 58.87 57.81 3fgo n SER 387 Cb 0.00 -0.14 -0.08 0.00 -1.01 0.00 0.00 64.21 62.97 3fgo n SER 387 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3fgo s THR 388 N -1.00 0.98 -0.98 0.44 -4.23 -1.26 -4.63 115.64 104.95 3fgo s THR 388 Ca 0.20 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.93 3fgo s THR 388 Cb 0.12 -2.38 0.18 0.00 1.34 0.00 0.00 72.50 71.76 3fgo s THR 388 CO 0.16 0.00 1.69 -1.22 -0.54 0.00 0.00 174.62 174.71 3fgo n TYR 389 N -1.02 0.04 -2.01 3.99 4.01 -1.26 -4.83 117.16 116.07 3fgo n TYR 389 Ca -0.10 0.01 -0.41 0.00 -0.16 0.00 0.00 57.90 57.24 3fgo n TYR 389 Cb 0.66 -0.52 -0.02 0.00 -0.31 0.00 0.00 39.34 39.15 3fgo n TYR 389 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3fgo s ALA 390 N -3.01 3.53 -0.32 -0.72 0.00 -1.26 -4.77 121.76 115.22 3fgo s ALA 390 Ca 0.10 1.36 -0.05 0.00 0.00 0.00 0.00 51.96 53.38 3fgo s ALA 390 Cb 0.14 -3.52 -0.15 0.00 0.00 0.00 0.00 23.12 19.59 3fgo s ALA 390 CO 0.40 -0.77 2.52 -0.35 0.00 0.00 0.00 175.76 177.55 3fgo n PRO 391 N 0.81 1.67 -4.93 0.00 -0.05 -1.26 -4.74 135.00 126.50 3fgo n PRO 391 Ca 0.01 -0.95 -0.33 0.00 -0.05 0.00 0.00 63.50 62.18 3fgo n PRO 391 Cb 0.41 -2.04 -0.15 0.00 -0.05 0.00 0.00 33.50 31.67 3fgo n PRO 391 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 175.50 174.24 3fgo s GLU 392 N 2.07 3.04 0.00 0.54 2.02 -1.26 -4.69 118.70 120.42 3fgo s GLU 392 Ca 0.46 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.70 3fgo s GLU 392 Cb 0.19 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.95 3fgo s GLU 392 CO -0.01 0.32 0.00 0.41 0.02 0.00 0.00 175.26 176.00 3fgo n GLY 393 N 3.19 3.39 3.21 -1.39 0.00 -1.26 -4.45 105.19 107.88 3fgo n GLY 393 Ca -0.18 -1.71 -0.12 0.00 0.00 0.00 0.00 46.02 44.01 3fgo n GLY 393 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3fgo s GLU 394 N -2.16 1.01 -0.21 1.61 -1.05 -1.25 -4.85 118.70 111.79 3fgo s GLU 394 Ca 0.00 -1.46 -0.17 0.00 -0.15 0.00 0.00 54.97 53.19 3fgo s GLU 394 Cb 0.00 -0.21 -0.04 0.00 -0.44 0.00 0.00 34.13 33.44 3fgo s GLU 394 CO 0.00 -0.10 0.43 0.08 0.95 0.00 0.00 175.26 176.62 3fgo s VAL 395 N -3.67 5.17 -0.10 1.83 1.01 -1.26 -1.61 120.40 121.75 3fgo s VAL 395 Ca 0.20 0.77 -0.01 0.00 0.00 0.00 0.00 61.98 62.94 3fgo s VAL 395 Cb 0.06 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3fgo s VAL 395 CO 0.01 0.22 -0.05 -0.76 0.00 0.00 0.00 175.10 174.52 3fgo s LEU 396 N 1.48 3.25 -0.29 3.92 1.43 0.30 -1.36 118.68 127.41 3fgo s LEU 396 Ca 0.20 -0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 3fgo s LEU 396 Cb -0.15 -1.74 0.04 0.00 0.03 0.00 0.00 46.19 44.37 3fgo s LEU 396 CO 0.09 0.29 -0.01 -0.75 0.23 0.00 0.00 176.35 176.20 3fgo s LYS 397 N -0.39 2.59 -1.06 1.70 2.36 0.31 -0.44 119.74 124.80 3fgo s LYS 397 Ca 0.06 -1.16 -0.01 0.00 -2.55 0.00 0.00 55.97 52.31 3fgo s LYS 397 Cb -0.12 -3.14 -0.02 0.00 -1.05 0.00 0.00 37.83 33.50 3fgo s LYS 397 CO 0.02 -0.55 0.90 0.09 1.55 0.00 0.00 175.35 177.36 3fgo n ASN 398 N 4.65 -3.07 -1.38 1.43 3.02 -1.26 -2.26 115.26 116.39 3fgo n ASN 398 Ca -0.14 -0.59 -0.12 0.00 -0.03 0.00 0.00 54.58 53.70 3fgo n ASN 398 Cb 0.45 -4.76 -0.05 0.00 -0.61 0.00 0.00 39.78 34.81 3fgo n ASN 398 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3fgo n ASP 399 N -2.98 -3.24 -4.08 6.41 8.00 -1.26 -4.93 116.55 114.47 3fgo n ASP 399 Ca -0.22 0.30 -0.24 0.00 0.71 0.00 0.00 54.79 55.35 3fgo n ASP 399 Cb 0.64 -3.06 -0.16 0.00 -0.02 0.00 0.00 41.12 38.53 3fgo n ASP 399 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3fgo s LYS 400 N -3.09 1.46 0.28 -1.24 1.02 -0.96 -5.05 119.74 112.17 3fgo s LYS 400 Ca 0.00 -0.48 -0.30 0.00 0.02 0.00 0.00 55.97 55.20 3fgo s LYS 400 Cb 0.00 -1.30 -0.11 0.00 -0.52 0.00 0.00 37.83 35.90 3fgo s LYS 400 CO 0.00 0.19 1.61 -2.14 -0.92 0.00 0.00 175.35 174.08 3fgo s PRO 401 N 0.12 4.12 0.41 -1.68 0.02 -1.26 -0.53 135.00 136.20 3fgo s PRO 401 Ca -0.04 2.58 0.05 0.00 0.02 0.00 0.00 61.00 63.61 3fgo s PRO 401 Cb -0.11 -3.03 -0.06 0.00 0.02 0.00 0.00 34.50 31.33 3fgo s PRO 401 CO 0.02 -0.64 0.03 0.96 -0.33 0.00 0.00 177.00 177.03 3fgo s ILE 402 N 0.12 1.53 -0.41 2.83 -5.25 -0.46 -4.83 121.20 114.73 3fgo s ILE 402 Ca 0.64 -2.00 -0.13 0.00 -0.99 0.00 0.00 60.65 58.18 3fgo s ILE 402 Cb -0.48 -2.74 0.04 0.00 2.95 0.00 0.00 42.46 42.23 3fgo s ILE 402 CO 0.46 0.00 0.28 -0.13 -1.79 0.00 0.00 174.94 173.76 3fgo s ARG 403 N -3.79 2.85 0.30 0.37 0.52 -1.26 -4.62 118.95 113.32 3fgo s ARG 403 Ca 0.29 -1.18 0.06 0.00 -0.52 0.00 0.00 55.73 54.39 3fgo s ARG 403 Cb 0.08 -3.88 0.81 0.00 0.52 0.00 0.00 34.95 32.47 3fgo s ARG 403 CO 0.14 -0.82 1.70 0.77 0.02 0.00 0.00 175.30 177.12 3fgo h SER 404 N 8.54 0.45 0.00 0.23 0.02 -1.88 0.54 113.55 121.46 3fgo h SER 404 Ca -0.26 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3fgo h SER 404 Cb 1.11 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3fgo h SER 404 CO 0.74 0.02 0.14 0.61 -1.14 0.00 0.00 176.83 177.20 3fgo n GLY 405 N -1.33 -0.57 0.22 -3.77 0.00 -1.25 -0.72 105.19 97.78 3fgo n GLY 405 Ca 0.24 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.47 3fgo n GLY 405 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3fgo h GLN 406 N 0.00 0.00 -4.68 1.61 1.08 -1.18 -3.41 115.11 108.53 3fgo h GLN 406 Ca 0.00 0.00 -0.69 0.00 -1.45 0.00 0.00 58.65 56.51 3fgo h GLN 406 Cb 0.28 0.00 -0.29 0.00 -0.05 0.00 0.00 27.48 27.41 3fgo h GLN 406 CO 0.00 0.00 -0.61 -0.06 -0.95 0.00 0.00 178.83 177.21 3fgo s PHE 407 N -3.25 3.27 0.29 2.96 0.08 0.11 -5.00 117.98 116.44 3fgo s PHE 407 Ca 0.07 -1.53 0.03 0.00 0.12 0.00 0.00 56.93 55.62 3fgo s PHE 407 Cb 0.06 -2.31 0.73 0.00 -0.57 0.00 0.00 43.02 40.93 3fgo s PHE 407 CO 0.65 -0.75 1.68 -0.44 -0.10 0.00 0.00 175.22 176.26 3fgo h ASP 408 N 8.19 0.24 -0.93 1.36 3.45 -1.83 -0.48 116.42 126.41 3fgo h ASP 408 Ca -0.22 0.17 0.02 0.00 0.43 0.00 0.00 57.03 57.42 3fgo h ASP 408 Cb 1.08 0.17 -0.05 0.00 -0.56 0.00 0.00 39.33 39.97 3fgo h ASP 408 CO 0.60 -0.05 0.61 1.23 -1.57 0.00 0.00 179.24 180.07 3fgo h GLY 409 N 0.34 1.32 1.52 2.75 0.00 -1.94 -1.39 103.07 105.67 3fgo h GLY 409 Ca 0.56 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 47.34 3fgo h GLY 409 CO -0.56 0.44 -0.09 1.41 0.00 0.00 0.00 176.54 177.75 3fgo h LEU 410 N 1.22 0.57 -0.20 3.11 3.38 -1.40 0.12 115.31 122.11 3fgo h LEU 410 Ca 0.35 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.21 3fgo h LEU 410 Cb -0.08 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3fgo h LEU 410 CO -0.09 0.70 -0.00 0.58 0.09 0.00 0.00 178.44 179.72 3fgo h VAL 411 N 0.54 0.86 -0.50 1.22 2.07 -0.57 0.26 116.25 120.14 3fgo h VAL 411 Ca 0.10 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.51 3fgo h VAL 411 Cb 0.48 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3fgo h VAL 411 CO 0.03 0.01 -0.06 -0.08 0.02 0.00 0.00 177.57 177.49 3fgo h GLU 412 N 0.06 0.91 -0.61 1.57 4.81 -0.97 -1.16 114.58 119.20 3fgo h GLU 412 Ca 0.09 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3fgo h GLU 412 Cb 0.11 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3fgo h GLU 412 CO -0.16 0.97 0.39 1.25 -0.73 0.00 0.00 179.01 180.74 3fgo h LEU 413 N 0.77 0.72 -1.10 1.64 6.46 -0.39 0.26 115.31 123.66 3fgo h LEU 413 Ca 0.13 -0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 57.82 3fgo h LEU 413 Cb 0.59 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 3fgo h LEU 413 CO 0.04 0.54 0.22 0.00 -0.62 0.00 0.00 178.44 178.61 3fgo h ALA 414 N 1.21 1.29 -0.34 1.25 0.00 -0.35 -1.19 119.26 121.12 3fgo h ALA 414 Ca 0.22 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3fgo h ALA 414 Cb -0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3fgo h ALA 414 CO -0.05 0.52 0.00 1.15 0.00 0.00 0.00 179.25 180.88 3fgo h THR 415 N 0.84 1.26 -0.70 0.00 2.02 0.22 0.34 112.91 116.89 3fgo h THR 415 Ca 0.20 -0.97 -0.03 0.00 0.77 0.00 0.00 66.41 66.38 3fgo h THR 415 Cb 0.19 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 3fgo h THR 415 CO -0.02 0.32 0.33 0.40 0.37 0.00 0.00 175.52 176.92 3fgo h ILE 416 N 0.42 1.23 -0.34 3.11 2.04 -0.22 -2.47 117.51 121.28 3fgo h ILE 416 Ca 0.10 -0.66 -0.05 0.00 1.00 0.00 0.00 64.86 65.25 3fgo h ILE 416 Cb 0.45 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3fgo h ILE 416 CO 0.02 0.27 0.01 0.00 0.00 0.00 0.00 178.15 178.45 3fgo h ALA 418 N 1.51 0.16 0.05 0.00 0.00 -0.70 -3.39 119.26 116.89 3fgo h ALA 418 Ca 0.11 -0.69 -0.37 0.00 0.00 0.00 0.00 54.91 53.95 3fgo h ALA 418 Cb 0.31 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3fgo h ALA 418 CO 0.01 0.70 -2.23 1.28 0.00 0.00 0.00 179.25 179.00 3fgo n LEU 419 N -3.85 2.54 -4.49 0.00 4.77 -0.95 -4.52 117.00 110.50 3fgo n LEU 419 Ca -0.10 0.04 -0.44 0.00 -0.03 0.00 0.00 56.01 55.48 3fgo n LEU 419 Cb 0.87 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3fgo n LEU 419 CO 0.55 0.85 1.58 0.00 -1.33 0.00 0.00 177.39 179.04 3fgo s ASN 421 N 3.22 -0.25 -0.03 0.00 3.84 -1.26 -4.78 114.94 115.67 3fgo s ASN 421 Ca 0.46 0.46 0.07 0.00 0.21 0.00 0.00 52.86 54.05 3fgo s ASN 421 Cb -0.01 0.70 0.16 0.00 -0.55 0.00 0.00 41.25 41.55 3fgo s ASN 421 CO 0.02 -0.08 1.12 0.47 -2.79 0.00 0.00 177.10 175.85 3fgo n ASP 422 N 2.43 2.44 -4.77 -4.21 10.43 -1.26 -5.03 116.55 116.58 3fgo n ASP 422 Ca -0.14 -2.22 -0.32 0.00 2.57 0.00 0.00 54.79 54.68 3fgo n ASP 422 Cb 0.57 -0.16 -0.07 0.00 1.84 0.00 0.00 41.12 43.29 3fgo n ASP 422 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3fgo s SER 423 N -1.32 4.17 0.00 -2.24 0.01 -1.26 -4.88 113.70 108.18 3fgo s SER 423 Ca 0.14 -1.59 0.00 0.00 1.31 0.00 0.00 55.95 55.81 3fgo s SER 423 Cb 0.10 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.77 3fgo s SER 423 CO 0.05 -0.85 0.00 -1.54 0.41 0.00 0.00 173.24 171.31 3fgo n SER 424 N -1.30 0.00 -4.45 2.44 3.41 -0.41 -4.95 113.62 108.37 3fgo n SER 424 Ca -0.16 -0.66 -0.27 0.00 -0.26 0.00 0.00 58.87 57.52 3fgo n SER 424 Cb 0.67 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.51 3fgo n SER 424 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3fgo s LEU 425 N 0.00 2.54 -0.13 1.04 2.96 -1.26 -1.17 118.68 122.65 3fgo s LEU 425 Ca 0.00 -0.84 -0.09 0.00 -0.22 0.00 0.00 54.13 52.99 3fgo s LEU 425 Cb 0.00 -1.24 0.04 0.00 0.50 0.00 0.00 46.19 45.49 3fgo s LEU 425 CO 0.00 0.11 0.32 -0.62 -1.32 0.00 0.00 176.35 174.84 3fgo s ASP 426 N -2.79 -0.36 0.00 3.68 2.15 -0.69 -4.75 116.67 113.91 3fgo s ASP 426 Ca 0.22 0.68 -0.23 0.00 0.43 0.00 0.00 52.55 53.65 3fgo s ASP 426 Cb -0.08 0.60 -0.05 0.00 -0.30 0.00 0.00 42.92 43.10 3fgo s ASP 426 CO 0.11 -0.15 0.69 0.12 -0.17 0.00 0.00 175.17 175.77 3fgo s PHE 427 N 0.91 3.68 -0.62 -5.34 5.36 -1.26 -0.47 117.98 120.24 3fgo s PHE 427 Ca -0.06 1.33 -0.12 0.00 -0.96 0.00 0.00 56.93 57.11 3fgo s PHE 427 Cb -0.07 -2.75 0.16 0.00 -0.34 0.00 0.00 43.02 40.02 3fgo s PHE 427 CO -0.07 0.25 0.54 1.21 -1.46 0.00 0.00 175.22 175.69 3fgo s ASN 428 N 0.12 6.16 0.35 6.13 3.84 -0.58 -4.92 114.94 126.03 3fgo s ASN 428 Ca 0.36 -2.21 0.02 0.00 0.21 0.00 0.00 52.86 51.25 3fgo s ASN 428 Cb -0.19 -2.13 0.63 0.00 -0.55 0.00 0.00 41.25 39.02 3fgo s ASN 428 CO 0.20 -0.68 2.00 -0.33 -2.79 0.00 0.00 177.10 175.49 3fgo h GLU 429 N 8.26 0.84 0.02 0.43 5.08 -1.95 0.11 114.58 127.36 3fgo h GLU 429 Ca -0.12 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3fgo h GLU 429 Cb 1.06 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 30.07 3fgo h GLU 429 CO 0.88 0.56 -0.31 1.15 -1.00 0.00 0.00 179.01 180.28 3fgo h THR 430 N 0.87 0.32 0.00 1.13 2.02 -1.96 -3.15 112.91 112.14 3fgo h THR 430 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.44 3fgo h THR 430 Cb -0.03 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 3fgo h THR 430 CO -0.06 0.00 -0.47 0.11 0.37 0.00 0.00 175.52 175.47 3fgo h LYS 431 N -0.47 0.00 -0.66 6.66 1.79 -1.83 -3.48 116.57 118.58 3fgo h LYS 431 Ca 0.06 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.34 3fgo h LYS 431 Cb 0.55 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.14 3fgo h LYS 431 CO -0.25 0.00 -0.19 0.41 -1.08 0.00 0.00 179.45 178.34 3fgo n GLY 432 N 1.20 0.82 3.27 3.86 0.00 0.31 -5.03 105.19 109.63 3fgo n GLY 432 Ca 0.03 -0.58 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 3fgo n GLY 432 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fgo s VAL 433 N -2.38 1.38 0.28 1.61 -7.23 -1.23 -4.98 120.40 107.85 3fgo s VAL 433 Ca 0.00 -1.90 -0.29 0.00 -1.81 0.00 0.00 61.98 57.98 3fgo s VAL 433 Cb 0.00 -1.72 -0.09 0.00 0.56 0.00 0.00 36.38 35.13 3fgo s VAL 433 CO 0.00 -0.53 0.98 -0.31 -0.31 0.00 0.00 175.10 174.93 3fgo s TYR 434 N -2.59 3.80 0.13 2.82 1.51 -1.26 -1.53 117.35 120.23 3fgo s TYR 434 Ca 0.14 1.83 0.07 0.00 -1.01 0.00 0.00 57.07 58.10 3fgo s TYR 434 Cb -0.02 -3.03 -0.04 0.00 -0.11 0.00 0.00 41.96 38.76 3fgo s TYR 434 CO 0.03 0.16 -0.16 -1.21 -1.11 0.00 0.00 175.55 173.26 3fgo s GLU 435 N -1.53 1.10 0.35 -0.62 2.02 0.38 -4.74 118.70 115.67 3fgo s GLU 435 Ca 0.45 -1.28 -0.25 0.00 0.02 0.00 0.00 54.97 53.92 3fgo s GLU 435 Cb -0.25 -1.07 -0.10 0.00 0.10 0.00 0.00 34.13 32.81 3fgo s GLU 435 CO 0.31 0.22 0.94 -1.59 0.02 0.00 0.00 175.26 175.16 3fgo s LYS 436 N -2.62 4.49 -0.30 1.61 -2.85 -1.26 -1.70 119.74 117.11 3fgo s LYS 436 Ca 0.10 1.27 0.03 0.00 -1.00 0.00 0.00 55.97 56.38 3fgo s LYS 436 Cb -0.06 -2.65 0.08 0.00 -2.06 0.00 0.00 37.83 33.15 3fgo s LYS 436 CO 0.04 0.20 -0.01 0.08 0.10 0.00 0.00 175.35 175.77 3fgo s VAL 437 N -1.76 2.06 0.00 1.79 1.01 -0.32 -4.86 120.40 118.33 3fgo s VAL 437 Ca 0.53 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.58 3fgo s VAL 437 Cb -0.16 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.83 3fgo s VAL 437 CO 0.21 -0.36 0.00 0.61 0.00 0.00 0.00 175.10 175.56 3fgo n GLY 438 N 4.40 -0.05 3.72 4.51 0.00 -1.26 -1.28 105.19 115.22 3fgo n GLY 438 Ca -0.04 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 3fgo n GLY 438 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fgo s GLU 439 N 0.00 4.39 0.22 1.61 0.41 -1.26 -4.92 118.70 119.14 3fgo s GLU 439 Ca 0.00 1.94 -0.12 0.00 -0.41 0.00 0.00 54.97 56.38 3fgo s GLU 439 Cb 0.00 -3.28 0.29 0.00 -1.78 0.00 0.00 34.13 29.36 3fgo s GLU 439 CO 0.00 -0.31 1.64 0.00 -0.49 0.00 0.00 175.26 176.10 3fgo h ALA 440 N 6.45 0.54 -0.03 5.21 0.00 -1.95 0.20 119.26 129.69 3fgo h ALA 440 Ca -0.42 0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3fgo h ALA 440 Cb 1.21 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 3fgo h ALA 440 CO 0.82 -0.42 -0.25 1.79 0.00 0.00 0.00 179.25 181.20 3fgo h THR 441 N 0.06 1.19 0.05 0.00 1.35 -1.92 -2.21 112.91 111.43 3fgo h THR 441 Ca 0.33 -0.91 -0.25 0.00 -0.55 0.00 0.00 66.41 65.03 3fgo h THR 441 Cb 0.53 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3fgo h THR 441 CO -0.61 0.26 -1.06 -0.33 -0.25 0.00 0.00 175.52 173.53 3fgo h GLU 442 N 0.04 0.37 0.00 4.72 5.08 -1.70 -3.27 114.58 119.82 3fgo h GLU 442 Ca 0.01 -0.47 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 3fgo h GLU 442 Cb 0.47 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 3fgo h GLU 442 CO 0.03 1.16 -0.08 1.15 -1.00 0.00 0.00 179.01 180.27 3fgo h THR 443 N 0.18 0.32 -0.49 1.13 2.02 -0.11 -1.83 112.91 114.13 3fgo h THR 443 Ca -0.11 -0.51 -0.10 0.00 0.77 0.00 0.00 66.41 66.46 3fgo h THR 443 Cb 1.73 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 69.51 3fgo h THR 443 CO 0.18 0.08 -0.11 0.00 0.37 0.00 0.00 175.52 176.05 3fgo h ALA 444 N 1.92 0.90 -0.40 6.16 0.00 -1.47 0.14 119.26 126.51 3fgo h ALA 444 Ca -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3fgo h ALA 444 Cb 0.38 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3fgo h ALA 444 CO 0.01 0.64 0.17 -0.07 0.00 0.00 0.00 179.25 179.99 3fgo h LEU 445 N 0.80 0.55 -0.22 0.00 3.38 -1.46 0.19 115.31 118.54 3fgo h LEU 445 Ca 0.13 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3fgo h LEU 445 Cb 0.63 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3fgo h LEU 445 CO 0.04 0.56 0.08 0.74 0.09 0.00 0.00 178.44 179.95 3fgo h THR 446 N 0.51 0.95 -0.80 0.22 2.02 -0.77 -0.94 112.91 114.09 3fgo h THR 446 Ca 0.14 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 3fgo h THR 446 Cb 0.17 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 3fgo h THR 446 CO -0.01 0.03 0.47 0.74 0.37 0.00 0.00 175.52 177.12 3fgo h THR 447 N 0.19 1.23 -0.31 3.16 2.02 -0.65 -2.35 112.91 116.19 3fgo h THR 447 Ca 0.10 -0.52 0.05 0.00 0.77 0.00 0.00 66.41 66.81 3fgo h THR 447 Cb 0.06 0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 66.55 3fgo h THR 447 CO -0.10 0.24 0.02 0.25 0.37 0.00 0.00 175.52 176.31 3fgo h LEU 448 N 1.10 -0.08 -1.42 2.58 5.85 -0.23 -1.09 115.31 122.02 3fgo h LEU 448 Ca 0.28 0.06 0.04 0.00 0.84 0.00 0.00 57.88 59.11 3fgo h LEU 448 Cb -0.02 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3fgo h LEU 448 CO -0.05 -0.00 0.43 0.58 -0.34 0.00 0.00 178.44 179.05 3fgo h VAL 449 N 0.12 1.07 -0.45 1.05 2.07 -0.82 0.20 116.25 119.49 3fgo h VAL 449 Ca 0.15 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 3fgo h VAL 449 Cb 0.19 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3fgo h VAL 449 CO -0.23 0.14 -0.15 -0.33 0.02 0.00 0.00 177.57 177.01 3fgo h GLU 450 N 0.74 0.89 -0.42 1.57 4.39 -0.82 -1.15 114.58 119.79 3fgo h GLU 450 Ca 0.26 -0.36 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 3fgo h GLU 450 Cb 0.12 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 3fgo h GLU 450 CO -0.08 1.01 0.09 0.87 -1.16 0.00 0.00 179.01 179.74 3fgo h LYS 451 N 0.73 0.68 -0.32 2.33 1.57 -0.26 -3.29 116.57 118.00 3fgo h LYS 451 Ca 0.11 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3fgo h LYS 451 Cb 0.71 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 3fgo h LYS 451 CO 0.05 0.70 0.04 0.52 -0.57 0.00 0.00 179.45 180.19 3fgo h MET 452 N 0.54 0.54 -6.24 3.15 2.86 -0.47 -3.45 114.93 111.87 3fgo h MET 452 Ca 0.13 -0.16 -0.39 0.00 -2.06 0.00 0.00 59.70 57.22 3fgo h MET 452 Cb 0.34 -0.06 0.05 0.00 0.06 0.00 0.00 31.60 31.99 3fgo h MET 452 CO 0.00 0.65 -0.84 -1.71 1.06 0.00 0.00 176.91 176.07 3fgo n ASN 453 N -4.59 -5.54 0.21 1.22 5.15 -0.45 -4.27 115.26 106.99 3fgo n ASN 453 Ca -0.02 -0.90 0.14 0.00 -0.60 0.00 0.00 54.58 53.20 3fgo n ASN 453 Cb 0.23 -3.25 0.44 0.00 -0.53 0.00 0.00 39.78 36.68 3fgo n ASN 453 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 3fgo h VAL 454 N -1.34 0.00 -0.59 3.44 -1.51 -1.91 -2.40 116.25 111.94 3fgo h VAL 454 Ca -0.57 -0.63 -0.24 0.00 -1.23 0.00 0.00 66.70 64.03 3fgo h VAL 454 Cb 1.32 1.59 -0.14 0.00 -2.13 0.00 0.00 31.29 31.92 3fgo h VAL 454 CO 0.44 0.00 0.20 0.49 -1.23 0.00 0.00 177.57 177.47 3fgo n PHE 455 N -2.84 1.89 -4.06 5.19 3.72 -1.26 -3.76 117.46 116.34 3fgo n PHE 455 Ca 0.03 -1.44 -0.44 0.00 -0.05 0.00 0.00 57.45 55.55 3fgo n PHE 455 Cb 0.39 -0.62 0.01 0.00 -0.94 0.00 0.00 39.48 38.32 3fgo n PHE 455 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3fgo n ASN 456 N -0.78 -3.71 -4.78 4.37 3.02 -0.91 -4.90 115.26 107.57 3fgo n ASN 456 Ca 0.40 -1.27 -0.38 0.00 -0.03 0.00 0.00 54.58 53.30 3fgo n ASN 456 Cb 1.26 -1.86 -0.06 0.00 -0.61 0.00 0.00 39.78 38.50 3fgo n ASN 456 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3fgo s THR 457 N -3.61 4.34 -0.27 3.41 2.01 -1.26 -4.99 115.64 115.26 3fgo s THR 457 Ca 0.44 1.68 -0.29 0.00 0.31 0.00 0.00 61.69 63.82 3fgo s THR 457 Cb -0.23 -4.05 -0.00 0.00 0.01 0.00 0.00 72.50 68.22 3fgo s THR 457 CO 0.96 0.32 1.33 -0.70 -0.69 0.00 0.00 174.62 175.85 3fgo s GLU 458 N -1.65 3.95 0.00 4.92 2.56 -1.26 -4.82 118.70 122.40 3fgo s GLU 458 Ca 0.43 1.36 0.00 0.00 0.00 0.00 0.00 54.97 56.76 3fgo s GLU 458 Cb -0.20 -3.88 0.00 0.00 2.00 0.00 0.00 34.13 32.05 3fgo s GLU 458 CO 0.25 -1.07 0.03 1.33 -0.56 0.00 0.00 175.26 175.23 3fgo n VAL 459 N 6.10 0.00 -0.35 3.70 0.24 -1.26 -4.73 118.33 122.03 3fgo n VAL 459 Ca 0.15 -0.42 0.01 0.00 -2.04 0.00 0.00 64.34 62.04 3fgo n VAL 459 Cb 0.46 1.01 0.16 0.00 -1.47 0.00 0.00 33.84 34.01 3fgo n VAL 459 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3fgo h ARG 460 N 0.00 1.19 -0.42 7.34 3.08 -2.02 -2.71 114.38 120.84 3fgo h ARG 460 Ca 0.00 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 3fgo h ARG 460 Cb 0.01 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.77 3fgo h ARG 460 CO 0.00 0.79 -0.11 -0.91 -1.07 0.00 0.00 179.97 178.67 3fgo h ASN 461 N 1.22 0.73 -3.51 7.04 2.35 -2.00 -3.47 115.58 117.93 3fgo h ASN 461 Ca 0.39 -0.21 -0.56 0.00 -0.55 0.00 0.00 56.30 55.37 3fgo h ASN 461 Cb 0.01 -0.20 0.18 0.00 0.05 0.00 0.00 38.32 38.36 3fgo h ASN 461 CO -0.12 0.87 -0.11 0.18 -1.65 0.00 0.00 177.43 176.59 3fgo n LEU 462 N -4.17 2.36 -4.82 1.61 4.77 -1.02 -5.00 117.00 110.72 3fgo n LEU 462 Ca 0.01 0.65 -0.30 0.00 -0.03 0.00 0.00 56.01 56.34 3fgo n LEU 462 Cb 0.36 -1.32 0.07 0.00 -2.33 0.00 0.00 43.42 40.20 3fgo n LEU 462 CO 0.43 -2.49 0.72 -0.94 -1.33 0.00 0.00 177.39 173.77 3fgo s SER 463 N -1.54 4.86 0.48 -1.43 1.04 -1.26 -4.82 113.70 111.02 3fgo s SER 463 Ca 0.70 1.32 0.31 0.00 0.48 0.00 0.00 55.95 58.76 3fgo s SER 463 Cb -0.35 -2.10 1.16 0.00 0.10 0.00 0.00 66.02 64.83 3fgo s SER 463 CO 0.53 -1.74 1.89 0.11 0.98 0.00 0.00 173.24 175.01 3fgo h LYS 464 N -0.93 0.00 0.00 4.02 1.57 -1.98 0.12 116.57 119.37 3fgo h LYS 464 Ca -0.46 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.28 3fgo h LYS 464 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 3fgo h LYS 464 CO 0.60 0.00 -0.74 -0.39 -0.57 0.00 0.00 179.45 178.34 3fgo h VAL 465 N 0.00 0.19 0.01 0.50 -1.51 -1.92 -2.91 116.25 110.61 3fgo h VAL 465 Ca 0.00 -1.32 -0.28 0.00 -1.23 0.00 0.00 66.70 63.87 3fgo h VAL 465 Cb 0.56 1.84 -0.04 0.00 -2.13 0.00 0.00 31.29 31.51 3fgo h VAL 465 CO 0.00 0.11 -1.57 -0.08 -1.23 0.00 0.00 177.57 174.80 3fgo h GLU 466 N 0.00 0.01 -0.53 5.19 4.81 -1.76 -3.33 114.58 118.97 3fgo h GLU 466 Ca -0.03 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 3fgo h GLU 466 Cb 1.15 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 3fgo h GLU 466 CO 0.02 0.62 0.04 -0.09 -0.73 0.00 0.00 179.01 178.87 3fgo h ARG 467 N 0.00 0.88 -0.85 1.92 9.65 -0.80 -2.97 114.38 122.21 3fgo h ARG 467 Ca -0.23 -0.23 0.22 0.00 -1.10 0.00 0.00 59.98 58.64 3fgo h ARG 467 Cb 1.97 -0.11 -0.16 0.00 -1.39 0.00 0.00 29.97 30.28 3fgo h ARG 467 CO 0.09 0.85 -0.03 0.00 2.80 0.00 0.00 179.97 183.68 3fgo n ALA 468 N -2.47 0.39 -1.84 2.80 0.00 -1.10 -2.63 120.51 115.65 3fgo n ALA 468 Ca 0.03 0.92 0.04 0.00 0.00 0.00 0.00 53.44 54.43 3fgo n ALA 468 Cb 0.29 -0.65 0.05 0.00 0.00 0.00 0.00 19.45 19.14 3fgo n ALA 468 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3fgo n ASN 469 N -5.26 0.87 0.11 0.00 3.02 -1.21 -4.67 115.26 108.11 3fgo n ASN 469 Ca 0.19 -2.41 -0.13 0.00 -0.03 0.00 0.00 54.58 52.20 3fgo n ASN 469 Cb 0.62 -0.30 -0.07 0.00 -0.61 0.00 0.00 39.78 39.42 3fgo n ASN 469 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fgo h ALA 470 N 0.27 -0.22 -0.01 5.41 0.00 -1.34 0.09 119.26 123.47 3fgo h ALA 470 Ca -0.04 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 3fgo h ALA 470 Cb 1.37 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3fgo h ALA 470 CO 0.02 -0.64 -0.93 0.00 0.00 0.00 0.00 179.25 177.70 3fgo h ASN 472 N 0.24 0.83 0.06 0.00 2.35 -1.84 -2.69 115.58 114.51 3fgo h ASN 472 Ca -0.08 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.56 3fgo h ASN 472 Cb 1.56 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.71 3fgo h ASN 472 CO 0.16 0.63 -0.23 0.28 -1.65 0.00 0.00 177.43 176.62 3fgo h SER 473 N 0.96 0.30 0.16 5.81 0.02 -0.45 -1.94 113.55 118.40 3fgo h SER 473 Ca 0.25 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3fgo h SER 473 Cb -0.05 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.41 3fgo h SER 473 CO -0.05 0.54 -0.08 0.58 -1.14 0.00 0.00 176.83 176.69 3fgo h VAL 474 N 0.28 0.86 -0.82 2.27 2.07 -1.06 -2.02 116.25 117.83 3fgo h VAL 474 Ca 0.05 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.57 3fgo h VAL 474 Cb 0.57 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 31.18 3fgo h VAL 474 CO 0.04 0.02 0.48 0.40 0.02 0.00 0.00 177.57 178.53 3fgo h ILE 475 N -0.25 0.95 0.00 4.57 2.04 -1.41 -1.13 117.51 122.28 3fgo h ILE 475 Ca -0.02 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 3fgo h ILE 475 Cb 0.20 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3fgo h ILE 475 CO 0.04 0.15 -0.06 0.03 0.00 0.00 0.00 178.15 178.31 3fgo h ARG 476 N 0.83 0.00 0.00 2.37 3.08 -1.03 0.37 114.38 120.00 3fgo h ARG 476 Ca 0.38 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.37 3fgo h ARG 476 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3fgo h ARG 476 CO -0.22 0.06 -0.27 1.96 -1.07 0.00 0.00 179.97 180.43 3fgo h GLN 477 N 0.00 0.00 0.06 0.04 4.20 -0.48 -3.28 115.11 115.64 3fgo h GLN 477 Ca -0.00 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 3fgo h GLN 477 Cb 0.23 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 3fgo h GLN 477 CO 0.01 0.27 -1.65 -0.07 -0.67 0.00 0.00 178.83 176.72 3fgo h LEU 478 N 0.00 0.19 -7.42 1.46 4.07 -0.68 -3.43 115.31 109.50 3fgo h LEU 478 Ca -0.00 -0.33 -0.41 0.00 0.08 0.00 0.00 57.88 57.21 3fgo h LEU 478 Cb 1.14 -0.06 -0.38 0.00 1.08 0.00 0.00 40.66 42.44 3fgo h LEU 478 CO 0.04 1.29 -0.76 -0.04 -1.08 0.00 0.00 178.44 177.89 3fgo s MET 479 N -2.61 0.35 -0.07 1.13 -1.94 -0.26 -1.07 119.30 114.83 3fgo s MET 479 Ca -0.09 0.21 -0.28 0.00 -1.71 0.00 0.00 55.69 53.82 3fgo s MET 479 Cb 0.08 -0.79 -0.02 0.00 2.01 0.00 0.00 34.83 36.10 3fgo s MET 479 CO 0.82 -0.31 0.93 0.21 -0.01 0.00 0.00 175.02 176.66 3fgo s LYS 480 N 2.03 4.46 -0.26 2.03 2.20 0.36 -4.49 119.74 126.07 3fgo s LYS 480 Ca 0.05 1.28 -0.29 0.00 -0.36 0.00 0.00 55.97 56.65 3fgo s LYS 480 Cb -0.12 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 3fgo s LYS 480 CO -0.04 -0.17 1.19 0.21 -0.36 0.00 0.00 175.35 176.17 3fgo s LYS 481 N 1.52 4.10 -0.08 4.03 2.20 -1.26 -1.43 119.74 128.82 3fgo s LYS 481 Ca 0.47 1.33 0.01 0.00 -0.36 0.00 0.00 55.97 57.42 3fgo s LYS 481 Cb -0.19 -3.77 -0.25 0.00 -1.51 0.00 0.00 37.83 32.11 3fgo s LYS 481 CO 0.21 -0.87 0.52 0.93 -0.36 0.00 0.00 175.35 175.78 3fgo h GLU 482 N 8.37 0.17 -2.27 4.03 5.08 -0.08 -3.49 114.58 126.38 3fgo h GLU 482 Ca -0.23 -0.28 0.16 0.00 -1.00 0.00 0.00 59.36 58.01 3fgo h GLU 482 Cb 1.08 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 30.33 3fgo h GLU 482 CO 1.01 0.93 0.51 -0.59 -1.00 0.00 0.00 179.01 179.87 3fgo s PHE 483 N -2.58 -0.19 -0.08 4.33 -0.71 -1.21 -5.01 117.98 112.54 3fgo s PHE 483 Ca -0.15 -0.05 0.03 0.00 -1.04 0.00 0.00 56.93 55.73 3fgo s PHE 483 Cb 0.07 0.60 -0.02 0.00 -1.21 0.00 0.00 43.02 42.47 3fgo s PHE 483 CO 0.80 -0.71 -0.17 0.99 -1.34 0.00 0.00 175.22 174.78 3fgo s THR 484 N -3.19 2.74 -0.84 -4.49 2.01 -1.26 -1.15 115.64 109.46 3fgo s THR 484 Ca 0.10 -0.81 -0.20 0.00 0.31 0.00 0.00 61.69 61.09 3fgo s THR 484 Cb -0.01 -2.08 0.12 0.00 0.01 0.00 0.00 72.50 70.54 3fgo s THR 484 CO -0.02 0.56 1.06 -0.76 -0.69 0.00 0.00 174.62 174.77 3fgo s LEU 485 N -0.20 4.94 0.91 4.42 1.43 -0.46 -5.00 118.68 124.72 3fgo s LEU 485 Ca -0.01 -1.76 -0.11 0.00 -1.03 0.00 0.00 54.13 51.22 3fgo s LEU 485 Cb -0.13 -2.39 0.10 0.00 0.03 0.00 0.00 46.19 43.79 3fgo s LEU 485 CO 0.03 -1.15 0.90 -1.84 0.23 0.00 0.00 176.35 174.52 3fgo n GLU 486 N 6.78 -0.32 -1.71 1.70 0.28 -1.26 -2.27 120.64 123.84 3fgo n GLU 486 Ca 0.15 -0.03 -0.43 0.00 -0.16 0.00 0.00 57.16 56.69 3fgo n GLU 486 Cb 0.48 -2.21 -0.02 0.00 1.43 0.00 0.00 31.44 31.12 3fgo n GLU 486 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3fgo n PHE 487 N -3.89 2.55 -4.55 -1.84 -0.00 -1.26 -4.79 117.46 103.69 3fgo n PHE 487 Ca 0.10 0.32 -0.21 0.00 -0.00 0.00 0.00 57.45 57.66 3fgo n PHE 487 Cb 0.52 -2.54 -0.15 0.00 -0.00 0.00 0.00 39.48 37.31 3fgo n PHE 487 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 3fgo s SER 488 N 0.45 1.56 0.28 -2.13 1.04 -1.24 -4.63 113.70 109.02 3fgo s SER 488 Ca 0.67 -0.28 -0.05 0.00 0.48 0.00 0.00 55.95 56.77 3fgo s SER 488 Cb -0.56 -0.16 0.54 0.00 0.10 0.00 0.00 66.02 65.94 3fgo s SER 488 CO 0.48 0.14 1.57 0.03 0.98 0.00 0.00 173.24 176.44 3fgo h ARG 489 N 5.64 0.01 -0.18 4.02 3.08 -1.95 0.01 114.38 125.02 3fgo h ARG 489 Ca -0.34 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.76 3fgo h ARG 489 Cb 1.17 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 3fgo h ARG 489 CO 0.48 0.01 0.17 0.38 -1.07 0.00 0.00 179.97 179.93 3fgo h ASP 490 N 0.01 0.00 0.00 7.04 2.03 -1.98 -3.23 116.42 120.29 3fgo h ASP 490 Ca 0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.80 3fgo h ASP 490 Cb 0.88 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.38 3fgo h ASP 490 CO -0.94 0.00 -0.83 -2.11 -1.03 0.00 0.00 179.24 174.33 3fgo n ARG 491 N -4.02 1.22 -3.63 4.15 1.85 -0.52 -5.02 116.66 110.70 3fgo n ARG 491 Ca 0.01 -0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.66 3fgo n ARG 491 Cb 0.29 -0.91 0.05 0.00 -1.05 0.00 0.00 32.46 30.84 3fgo n ARG 491 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3fgo n LYS 492 N -1.41 -5.07 -3.62 2.89 5.02 -0.13 -4.79 118.16 111.05 3fgo n LYS 492 Ca -0.00 0.67 -0.07 0.00 -2.02 0.00 0.00 58.31 56.89 3fgo n LYS 492 Cb 0.00 -5.30 -0.02 0.00 -0.02 0.00 0.00 35.03 29.69 3fgo n LYS 492 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3fgo s SER 493 N -4.31 -0.30 0.10 4.39 1.04 -1.26 -1.51 113.70 111.84 3fgo s SER 493 Ca 0.03 -0.21 -0.01 0.00 0.48 0.00 0.00 55.95 56.24 3fgo s SER 493 Cb -0.01 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 3fgo s SER 493 CO 0.79 -0.83 0.01 0.00 0.98 0.00 0.00 173.24 174.20 3fgo s MET 494 N -3.31 0.82 0.24 4.02 0.23 -0.39 -3.73 119.30 117.18 3fgo s MET 494 Ca 0.08 -1.36 -0.11 0.00 -1.03 0.00 0.00 55.69 53.27 3fgo s MET 494 Cb -0.01 0.16 -0.01 0.00 -1.53 0.00 0.00 34.83 33.43 3fgo s MET 494 CO -0.04 -0.18 0.42 -1.54 -2.03 0.00 0.00 175.02 171.66 3fgo s SER 495 N -3.01 -0.05 -0.01 -1.18 1.04 -0.96 -1.62 113.70 107.91 3fgo s SER 495 Ca 0.17 -1.01 0.02 0.00 0.48 0.00 0.00 55.95 55.62 3fgo s SER 495 Cb 0.07 0.55 -0.00 0.00 0.10 0.00 0.00 66.02 66.74 3fgo s SER 495 CO -0.03 -1.09 -0.07 0.68 0.98 0.00 0.00 173.24 173.71 3fgo s VAL 496 N -4.04 0.59 -0.20 5.02 -7.23 -0.05 -1.35 120.40 113.15 3fgo s VAL 496 Ca 0.25 -0.30 -0.17 0.00 -1.81 0.00 0.00 61.98 59.95 3fgo s VAL 496 Cb 0.01 -0.51 -0.04 0.00 0.56 0.00 0.00 36.38 36.40 3fgo s VAL 496 CO 0.10 0.18 0.46 -0.47 -0.31 0.00 0.00 175.10 175.05 3fgo s TYR 497 N -0.06 3.38 0.08 2.82 6.14 -0.30 -1.76 117.35 127.64 3fgo s TYR 497 Ca 0.01 0.69 0.03 0.00 0.64 0.00 0.00 57.07 58.44 3fgo s TYR 497 Cb -0.04 -2.59 -0.03 0.00 0.42 0.00 0.00 41.96 39.71 3fgo s TYR 497 CO -0.00 -0.05 -0.08 0.00 0.64 0.00 0.00 175.55 176.06 3fgo s SER 499 N -2.43 0.15 0.38 0.00 1.04 -0.51 -0.79 113.70 111.53 3fgo s SER 499 Ca 0.04 -0.75 -0.28 0.00 0.48 0.00 0.00 55.95 55.44 3fgo s SER 499 Cb -0.02 0.34 -0.11 0.00 0.10 0.00 0.00 66.02 66.34 3fgo s SER 499 CO -0.02 -0.75 1.48 -2.84 0.98 0.00 0.00 173.24 172.09 3fgo s PRO 500 N -3.90 4.07 0.00 4.02 0.02 -1.26 -0.49 135.00 137.46 3fgo s PRO 500 Ca 0.08 2.56 0.26 0.00 0.02 0.00 0.00 61.00 63.92 3fgo s PRO 500 Cb 0.05 -2.94 0.61 0.00 0.02 0.00 0.00 34.50 32.24 3fgo s PRO 500 CO -0.08 -0.56 1.48 0.00 -0.33 0.00 0.00 177.00 177.50 3fgo n ALA 501 N 0.39 3.36 -2.82 -1.55 0.00 -0.24 -4.61 120.51 115.04 3fgo n ALA 501 Ca 0.01 -0.37 -0.14 0.00 0.00 0.00 0.00 53.44 52.94 3fgo n ALA 501 Cb 0.39 -1.12 -0.14 0.00 0.00 0.00 0.00 19.45 18.58 3fgo n ALA 501 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3fgo s LYS 502 N -2.79 0.24 0.54 0.00 -0.14 -1.26 -5.01 119.74 111.32 3fgo s LYS 502 Ca 0.17 -0.17 0.23 0.00 -1.36 0.00 0.00 55.97 54.84 3fgo s LYS 502 Cb 0.18 -0.20 1.41 0.00 -1.68 0.00 0.00 37.83 37.54 3fgo s LYS 502 CO 0.63 0.05 2.07 0.66 -0.76 0.00 0.00 175.35 178.00 3fgo h SER 503 N 5.90 0.00 -0.60 2.83 4.64 -1.98 -1.27 113.55 123.08 3fgo h SER 503 Ca -0.27 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3fgo h SER 503 Cb 1.20 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.26 3fgo h SER 503 CO 0.49 0.00 0.36 0.77 -0.87 0.00 0.00 176.83 177.59 3fgo h SER 504 N 0.00 0.73 -0.09 4.97 4.64 -2.01 -0.75 113.55 121.04 3fgo h SER 504 Ca 0.13 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3fgo h SER 504 Cb 0.55 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3fgo h SER 504 CO -0.00 0.57 0.00 0.54 -0.87 0.00 0.00 176.83 177.07 3fgo n ARG 505 N -4.41 1.26 -0.21 4.77 3.00 -0.49 -4.47 116.66 116.12 3fgo n ARG 505 Ca 0.06 -0.40 0.21 0.00 -0.01 0.00 0.00 57.85 57.71 3fgo n ARG 505 Cb 0.08 -1.19 0.57 0.00 0.00 0.00 0.00 32.46 31.92 3fgo n ARG 505 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3fgo h ALA 506 N 3.43 2.37 -0.14 7.54 0.00 -1.02 -0.97 119.26 130.48 3fgo h ALA 506 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3fgo h ALA 506 Cb 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3fgo h ALA 506 CO 0.00 -0.64 0.24 0.00 0.00 0.00 0.00 179.25 178.85 3fgo h ALA 507 N 1.61 1.60 -0.16 0.00 0.00 -1.81 -1.97 119.26 118.52 3fgo h ALA 507 Ca 0.44 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.21 3fgo h ALA 507 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3fgo h ALA 507 CO -0.12 -0.31 -0.41 0.28 0.00 0.00 0.00 179.25 178.69 3fgo h VAL 508 N 0.00 1.34 -0.62 0.00 2.07 -1.54 -3.49 116.25 114.02 3fgo h VAL 508 Ca 0.07 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.92 3fgo h VAL 508 Cb 0.54 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 3fgo h VAL 508 CO -0.00 0.51 0.00 0.61 0.02 0.00 0.00 177.57 178.71 3fgo n GLY 509 N 0.49 -0.53 3.72 2.17 0.00 -0.74 -4.72 105.19 105.57 3fgo n GLY 509 Ca -0.07 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 3fgo n GLY 509 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fgo s ASN 510 N -4.00 6.88 0.05 1.61 0.01 -1.26 -4.07 114.94 114.15 3fgo s ASN 510 Ca 0.00 2.27 0.05 0.00 -0.71 0.00 0.00 52.86 54.47 3fgo s ASN 510 Cb 0.00 -2.59 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 3fgo s ASN 510 CO 0.00 -0.61 -0.13 -0.54 -1.51 0.00 0.00 177.10 174.31 3fgo s LYS 511 N 1.01 0.85 -0.19 -0.60 -0.14 0.03 -4.45 119.74 116.25 3fgo s LYS 511 Ca 0.63 -0.78 -0.08 0.00 -1.36 0.00 0.00 55.97 54.37 3fgo s LYS 511 Cb -0.35 -0.84 -0.04 0.00 -1.68 0.00 0.00 37.83 34.92 3fgo s LYS 511 CO 0.31 0.20 0.08 -1.64 -0.76 0.00 0.00 175.35 173.54 3fgo s MET 512 N -1.29 4.01 -0.21 1.68 -1.94 -1.08 -0.47 119.30 120.00 3fgo s MET 512 Ca -0.00 -0.32 -0.06 0.00 -1.71 0.00 0.00 55.69 53.60 3fgo s MET 512 Cb -0.08 -3.29 -0.03 0.00 2.01 0.00 0.00 34.83 33.44 3fgo s MET 512 CO 0.01 0.24 0.03 -0.06 -0.01 0.00 0.00 175.02 175.23 3fgo s PHE 513 N 0.49 3.09 -0.05 -0.03 0.08 -0.72 -0.72 117.98 120.12 3fgo s PHE 513 Ca 0.05 -0.35 0.06 0.00 0.12 0.00 0.00 56.93 56.81 3fgo s PHE 513 Cb -0.12 -2.13 -0.02 0.00 -0.57 0.00 0.00 43.02 40.18 3fgo s PHE 513 CO 0.00 -0.20 -0.22 0.08 -0.10 0.00 0.00 175.22 174.78 3fgo s VAL 514 N 1.07 2.32 0.01 -0.44 1.01 0.18 -0.87 120.40 123.68 3fgo s VAL 514 Ca 0.03 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.05 3fgo s VAL 514 Cb -0.14 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 3fgo s VAL 514 CO 0.02 0.57 -0.05 -1.59 0.00 0.00 0.00 175.10 174.05 3fgo s LYS 515 N -0.34 0.41 -0.02 2.72 -2.85 -0.64 -0.15 119.74 118.87 3fgo s LYS 515 Ca 0.02 -0.29 -0.11 0.00 -1.00 0.00 0.00 55.97 54.59 3fgo s LYS 515 Cb -0.12 -0.35 0.04 0.00 -2.06 0.00 0.00 37.83 35.33 3fgo s LYS 515 CO 0.02 0.09 0.49 0.41 0.10 0.00 0.00 175.35 176.47 3fgo n GLY 516 N 2.66 0.41 3.65 0.59 0.00 -0.62 -1.26 105.19 110.62 3fgo n GLY 516 Ca -0.15 -0.90 -0.59 0.00 0.00 0.00 0.00 46.02 44.38 3fgo n GLY 516 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fgo n ALA 517 N -2.23 -1.37 -0.12 4.61 0.00 -0.57 -1.10 120.51 119.72 3fgo n ALA 517 Ca -0.04 0.49 -0.05 0.00 0.00 0.00 0.00 53.44 53.84 3fgo n ALA 517 Cb 0.22 -2.02 0.01 0.00 0.00 0.00 0.00 19.45 17.66 3fgo n ALA 517 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3fgo h PRO 518 N 5.18 -0.11 0.07 0.00 0.11 -1.90 -2.72 132.00 132.63 3fgo h PRO 518 Ca -0.47 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.67 3fgo h PRO 518 Cb 1.36 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.45 3fgo h PRO 518 CO 0.86 -0.07 -0.30 1.49 -0.21 0.00 0.00 178.00 179.77 3fgo h GLU 519 N -0.11 -0.47 0.03 1.05 4.81 -1.98 0.66 114.58 118.57 3fgo h GLU 519 Ca 0.20 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.47 3fgo h GLU 519 Cb 0.42 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3fgo h GLU 519 CO -0.48 -0.31 -0.05 0.78 -0.73 0.00 0.00 179.01 178.21 3fgo h GLY 520 N -0.49 -0.08 0.67 1.92 0.00 -1.87 -0.55 103.07 102.68 3fgo h GLY 520 Ca 0.04 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.46 3fgo h GLY 520 CO -0.21 -0.06 -0.12 -2.08 0.00 0.00 0.00 176.54 174.08 3fgo h VAL 521 N -0.11 0.70 -0.75 4.60 2.07 -1.29 -2.71 116.25 118.77 3fgo h VAL 521 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3fgo h VAL 521 Cb 0.12 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 3fgo h VAL 521 CO -0.04 0.00 0.41 0.40 0.02 0.00 0.00 177.57 178.37 3fgo h ILE 522 N -0.19 1.22 -0.78 4.57 2.04 -0.74 0.13 117.51 123.75 3fgo h ILE 522 Ca 0.05 -0.54 0.21 0.00 1.00 0.00 0.00 64.86 65.58 3fgo h ILE 522 Cb 0.25 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 3fgo h ILE 522 CO -0.14 0.24 0.55 0.44 0.00 0.00 0.00 178.15 179.25 3fgo h ASP 523 N 1.04 0.12 -0.65 1.72 3.32 -0.84 -1.25 116.42 119.88 3fgo h ASP 523 Ca 0.27 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3fgo h ASP 523 Cb 0.02 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3fgo h ASP 523 CO -0.04 0.05 0.00 0.54 -1.72 0.00 0.00 179.24 178.07 3fgo n ARG 524 N -4.37 3.48 -3.48 3.56 1.74 0.00 -4.86 116.66 112.73 3fgo n ARG 524 Ca 0.16 -2.82 -0.37 0.00 -0.77 0.00 0.00 57.85 54.05 3fgo n ARG 524 Cb 0.77 -1.80 -0.06 0.00 -1.02 0.00 0.00 32.46 30.35 3fgo n ARG 524 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fgo n ASN 526 N 2.85 1.08 -4.36 0.00 3.02 -0.46 -4.84 115.26 112.55 3fgo n ASN 526 Ca -0.12 -0.53 -0.18 0.00 -0.03 0.00 0.00 54.58 53.72 3fgo n ASN 526 Cb 0.52 1.14 -0.10 0.00 -0.61 0.00 0.00 39.78 40.73 3fgo n ASN 526 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3fgo s TYR 527 N -2.21 1.67 -0.03 3.10 2.02 -0.85 0.41 117.35 121.46 3fgo s TYR 527 Ca 0.02 -0.89 0.03 0.00 -0.37 0.00 0.00 57.07 55.86 3fgo s TYR 527 Cb 0.08 -0.98 -0.00 0.00 -0.40 0.00 0.00 41.96 40.66 3fgo s TYR 527 CO 0.44 0.02 -0.12 0.08 -1.57 0.00 0.00 175.55 174.39 3fgo s VAL 528 N -3.34 1.05 0.15 0.71 1.01 0.18 0.75 120.40 120.90 3fgo s VAL 528 Ca 0.29 -0.52 -0.27 0.00 0.00 0.00 0.00 61.98 61.49 3fgo s VAL 528 Cb 0.06 -0.91 -0.07 0.00 0.00 0.00 0.00 36.38 35.46 3fgo s VAL 528 CO 0.10 0.31 0.84 -0.60 0.00 0.00 0.00 175.10 175.75 3fgo s ARG 529 N 0.05 4.64 -0.32 2.72 6.06 0.13 -1.79 118.95 130.44 3fgo s ARG 529 Ca -0.02 1.26 0.00 0.00 -2.50 0.00 0.00 55.73 54.47 3fgo s ARG 529 Cb -0.09 -3.31 0.10 0.00 0.06 0.00 0.00 34.95 31.71 3fgo s ARG 529 CO 0.01 0.44 0.08 0.08 -2.50 0.00 0.00 175.30 173.41 3fgo s VAL 530 N -0.74 1.22 0.00 7.11 1.01 0.12 -4.37 120.40 124.75 3fgo s VAL 530 Ca 0.39 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.75 3fgo s VAL 530 Cb -0.23 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.23 3fgo s VAL 530 CO 0.27 -0.65 0.00 0.61 0.00 0.00 0.00 175.10 175.34 3fgo n GLY 531 N 4.70 1.48 0.37 4.51 0.00 -1.26 -0.87 105.19 114.11 3fgo n GLY 531 Ca -0.01 0.30 0.07 0.00 0.00 0.00 0.00 46.02 46.38 3fgo n GLY 531 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fgo n THR 532 N 0.00 0.00 -2.48 2.61 -2.24 -1.26 -3.69 114.28 107.22 3fgo n THR 532 Ca 0.00 -0.40 -0.25 0.00 -2.27 0.00 0.00 64.05 61.13 3fgo n THR 532 Cb 0.00 1.19 0.13 0.00 -2.10 0.00 0.00 70.33 69.55 3fgo n THR 532 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3fgo s THR 533 N -1.48 2.06 -0.08 4.28 -4.23 -0.05 -5.12 115.64 111.03 3fgo s THR 533 Ca 0.12 -0.50 -0.06 0.00 -1.18 0.00 0.00 61.69 60.07 3fgo s THR 533 Cb 0.11 -2.57 0.03 0.00 1.34 0.00 0.00 72.50 71.41 3fgo s THR 533 CO 0.28 0.00 0.20 -0.60 -0.54 0.00 0.00 174.62 173.96 3fgo s ARG 534 N -5.30 0.21 0.12 3.99 3.52 -1.26 -0.71 118.95 119.53 3fgo s ARG 534 Ca 0.69 0.32 0.02 0.00 -0.13 0.00 0.00 55.73 56.62 3fgo s ARG 534 Cb -0.04 0.04 -0.04 0.00 -1.56 0.00 0.00 34.95 33.35 3fgo s ARG 534 CO 0.46 -0.06 -0.04 0.14 -0.81 0.00 0.00 175.30 174.99 3fgo s VAL 535 N 0.39 0.66 0.41 7.11 -7.23 -0.74 -4.96 120.40 116.05 3fgo s VAL 535 Ca -0.02 -1.95 -0.26 0.00 -1.81 0.00 0.00 61.98 57.93 3fgo s VAL 535 Cb -0.04 -1.83 -0.09 0.00 0.56 0.00 0.00 36.38 34.98 3fgo s VAL 535 CO -0.02 -0.73 1.38 -2.84 -0.31 0.00 0.00 175.10 172.58 3fgo s PRO 536 N -3.87 3.93 -0.30 4.82 0.02 -1.26 -0.65 135.00 137.69 3fgo s PRO 536 Ca 0.16 2.34 -0.29 0.00 0.02 0.00 0.00 61.00 63.23 3fgo s PRO 536 Cb 0.06 -2.79 -0.01 0.00 0.02 0.00 0.00 34.50 31.78 3fgo s PRO 536 CO -0.02 -0.59 1.43 1.41 -0.33 0.00 0.00 177.00 178.91 3fgo s MET 537 N -2.24 3.78 0.53 5.54 -2.45 0.16 -4.64 119.30 119.99 3fgo s MET 537 Ca 0.57 1.30 0.06 0.00 -1.25 0.00 0.00 55.69 56.37 3fgo s MET 537 Cb -0.42 -3.97 0.06 0.00 1.25 0.00 0.00 34.83 31.76 3fgo s MET 537 CO 0.55 -1.30 0.52 0.25 1.05 0.00 0.00 175.02 176.08 3fgo n THR 538 N 6.51 0.00 0.05 10.11 -2.24 -1.26 -4.87 114.28 122.58 3fgo n THR 538 Ca 0.17 -1.99 -0.11 0.00 -2.27 0.00 0.00 64.05 59.84 3fgo n THR 538 Cb 0.47 -0.21 -0.05 0.00 -2.10 0.00 0.00 70.33 68.44 3fgo n THR 538 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3fgo h GLY 539 N 0.44 -0.45 0.82 3.38 0.00 -1.97 -1.66 103.07 103.63 3fgo h GLY 539 Ca -0.31 0.35 -0.09 0.00 0.00 0.00 0.00 47.33 47.29 3fgo h GLY 539 CO 0.47 -0.22 -0.24 -2.55 0.00 0.00 0.00 176.54 173.99 3fgo h PRO 540 N -0.43 0.47 -0.48 4.80 0.11 -1.88 -1.30 132.00 133.29 3fgo h PRO 540 Ca 0.07 -0.27 0.10 0.00 0.11 0.00 0.00 66.00 66.00 3fgo h PRO 540 Cb 0.52 0.02 -0.09 0.00 0.11 0.00 0.00 31.00 31.56 3fgo h PRO 540 CO -0.26 0.86 -0.15 0.28 -0.21 0.00 0.00 178.00 178.52 3fgo h VAL 541 N 0.12 0.46 -0.23 3.15 2.07 -1.83 -1.58 116.25 118.41 3fgo h VAL 541 Ca 0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 3fgo h VAL 541 Cb 0.81 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3fgo h VAL 541 CO 0.06 0.00 0.13 0.50 0.02 0.00 0.00 177.57 178.28 3fgo h LYS 542 N -0.04 0.32 -0.14 1.57 3.64 -1.20 -2.15 116.57 118.57 3fgo h LYS 542 Ca 0.23 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.51 3fgo h LYS 542 Cb 0.39 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3fgo h LYS 542 CO -0.52 0.28 -0.21 1.05 -2.27 0.00 0.00 179.45 177.78 3fgo h GLU 543 N 0.27 0.24 0.23 1.90 -0.00 -0.91 0.46 114.58 116.77 3fgo h GLU 543 Ca 0.08 -0.07 -0.01 0.00 -0.00 0.00 0.00 59.36 59.36 3fgo h GLU 543 Cb 0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 28.78 3fgo h GLU 543 CO -0.01 0.45 -0.11 -0.22 -0.00 0.00 0.00 179.01 179.11 3fgo h LYS 544 N 0.22 -0.30 0.02 1.06 1.63 -1.15 -1.00 116.57 117.05 3fgo h LYS 544 Ca 0.04 0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.88 3fgo h LYS 544 Cb 0.51 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.18 3fgo h LYS 544 CO 0.03 -0.20 -0.13 0.82 -3.45 0.00 0.00 179.45 176.52 3fgo h ILE 545 N -0.32 0.68 -0.67 2.00 2.04 -0.65 -2.26 117.51 118.32 3fgo h ILE 545 Ca -0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.86 3fgo h ILE 545 Cb 0.24 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3fgo h ILE 545 CO 0.05 0.00 0.44 -0.07 0.00 0.00 0.00 178.15 178.58 3fgo h LEU 546 N -0.23 0.69 -0.24 1.44 3.38 -0.93 -2.59 115.31 116.83 3fgo h LEU 546 Ca 0.04 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3fgo h LEU 546 Cb 0.28 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3fgo h LEU 546 CO -0.12 0.47 -0.22 0.77 0.09 0.00 0.00 178.44 179.44 3fgo h SER 547 N 0.80 0.60 -0.26 -0.43 4.64 -0.61 0.06 113.55 118.36 3fgo h SER 547 Ca 0.27 -0.47 -0.06 0.00 -0.47 0.00 0.00 61.79 61.06 3fgo h SER 547 Cb 0.08 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 3fgo h SER 547 CO -0.08 0.95 -0.01 0.58 -0.87 0.00 0.00 176.83 177.40 3fgo h VAL 548 N 0.27 1.21 -0.52 0.95 2.07 -1.39 -1.60 116.25 117.24 3fgo h VAL 548 Ca 0.04 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 3fgo h VAL 548 Cb 0.77 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 3fgo h VAL 548 CO 0.06 0.30 0.23 0.40 0.02 0.00 0.00 177.57 178.57 3fgo h ILE 549 N 0.56 1.21 -0.85 4.57 2.04 -1.03 -1.13 117.51 122.87 3fgo h ILE 549 Ca 0.12 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 3fgo h ILE 549 Cb 0.37 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 3fgo h ILE 549 CO 0.01 0.24 0.50 0.50 0.00 0.00 0.00 178.15 179.40 3fgo h LYS 550 N 0.70 1.16 -0.65 2.37 3.64 -0.70 -2.05 116.57 121.04 3fgo h LYS 550 Ca 0.18 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3fgo h LYS 550 Cb 0.15 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 3fgo h LYS 550 CO -0.02 0.82 0.33 1.49 -2.27 0.00 0.00 179.45 179.80 3fgo h GLU 551 N 1.18 0.92 0.00 1.90 4.81 -0.92 -2.91 114.58 119.56 3fgo h GLU 551 Ca 0.30 -0.12 -0.11 0.00 -0.13 0.00 0.00 59.36 59.30 3fgo h GLU 551 Cb -0.03 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 3fgo h GLU 551 CO -0.06 0.72 -0.53 -1.49 -0.73 0.00 0.00 179.01 176.93 3fgo h TRP 552 N 0.89 0.00 -0.57 0.92 4.06 -0.69 -2.80 115.95 117.75 3fgo h TRP 552 Ca 0.22 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 61.07 3fgo h TRP 552 Cb 0.09 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.19 3fgo h TRP 552 CO -0.00 0.53 0.11 0.41 -3.56 0.00 0.00 178.44 175.92 3fgo n GLY 553 N 0.40 3.59 0.00 1.49 0.00 -0.82 0.48 105.19 110.33 3fgo n GLY 553 Ca -0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3fgo n GLY 553 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fgo n THR 554 N -0.02 0.00 -0.15 2.61 -2.24 -1.11 -4.59 114.28 108.77 3fgo n THR 554 Ca 0.32 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 3fgo n THR 554 Cb 1.21 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 70.69 3fgo n THR 554 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fgo n GLY 555 N 0.00 1.33 0.00 3.38 0.00 -1.07 -4.65 105.19 104.19 3fgo n GLY 555 Ca 0.00 -1.57 0.08 0.00 0.00 0.00 0.00 46.02 44.53 3fgo n GLY 555 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fgo n ARG 556 N 0.00 0.15 0.10 1.61 1.74 -1.26 -3.78 116.66 115.21 3fgo n ARG 556 Ca 0.00 0.17 -0.05 0.00 -0.77 0.00 0.00 57.85 57.20 3fgo n ARG 556 Cb 0.00 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 29.92 3fgo n ARG 556 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3fgo h ASP 557 N 0.00 -0.26 -7.00 0.55 3.32 -1.84 -3.47 116.42 107.73 3fgo h ASP 557 Ca 0.00 0.01 -0.52 0.00 0.02 0.00 0.00 57.03 56.54 3fgo h ASP 557 Cb 0.20 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 3fgo h ASP 557 CO 0.00 0.02 -0.86 0.41 -1.72 0.00 0.00 179.24 177.08 3fgo n THR 558 N -3.94 -1.99 -2.97 0.35 -1.04 -0.93 -4.93 114.28 98.84 3fgo n THR 558 Ca -0.04 -0.49 -0.31 0.00 -2.04 0.00 0.00 64.05 61.17 3fgo n THR 558 Cb 0.12 -1.71 -0.04 0.00 -1.82 0.00 0.00 70.33 66.88 3fgo n THR 558 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3fgo s LEU 559 N -7.09 3.91 -0.29 -4.42 1.43 0.18 -4.88 118.68 107.51 3fgo s LEU 559 Ca 0.36 1.13 -0.29 0.00 -1.03 0.00 0.00 54.13 54.29 3fgo s LEU 559 Cb -0.20 -3.98 0.01 0.00 0.03 0.00 0.00 46.19 42.05 3fgo s LEU 559 CO 0.84 -0.33 1.10 -0.13 0.23 0.00 0.00 176.35 178.06 3fgo s ARG 560 N -3.61 4.10 -0.12 1.70 0.52 -0.03 -4.23 118.95 117.28 3fgo s ARG 560 Ca 0.51 1.18 -0.05 0.00 -0.52 0.00 0.00 55.73 56.85 3fgo s ARG 560 Cb -0.10 -3.73 -0.04 0.00 0.52 0.00 0.00 34.95 31.59 3fgo s ARG 560 CO 0.28 -0.86 0.07 0.00 0.02 0.00 0.00 175.30 174.81 3fgo s LEU 562 N -0.69 2.33 0.02 0.00 1.43 -0.13 -4.45 118.68 117.18 3fgo s LEU 562 Ca 0.12 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 52.62 3fgo s LEU 562 Cb -0.12 -1.40 -0.06 0.00 0.03 0.00 0.00 46.19 44.65 3fgo s LEU 562 CO 0.02 0.29 0.41 0.00 0.23 0.00 0.00 176.35 177.31 3fgo s ALA 563 N -0.77 3.70 -0.12 4.21 0.00 -0.26 -1.95 121.76 126.57 3fgo s ALA 563 Ca 0.12 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.86 3fgo s ALA 563 Cb -0.10 -2.38 -0.01 0.00 0.00 0.00 0.00 23.12 20.63 3fgo s ALA 563 CO 0.02 0.49 -0.16 -0.51 0.00 0.00 0.00 175.76 175.60 3fgo s LEU 564 N -1.21 2.53 0.09 0.00 1.43 -0.26 -1.59 118.68 119.67 3fgo s LEU 564 Ca 0.25 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 3fgo s LEU 564 Cb -0.16 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 3fgo s LEU 564 CO 0.14 0.17 0.06 0.00 0.23 0.00 0.00 176.35 176.95 3fgo s ALA 565 N 0.33 0.43 0.01 4.21 0.00 0.78 -1.13 121.76 126.38 3fgo s ALA 565 Ca -0.13 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 50.71 3fgo s ALA 565 Cb -0.16 0.53 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 3fgo s ALA 565 CO 0.07 -0.45 -0.09 -0.08 0.00 0.00 0.00 175.76 175.20 3fgo s THR 566 N -3.95 0.73 -0.53 0.00 -1.32 -0.59 0.49 115.64 110.47 3fgo s THR 566 Ca 0.12 -0.54 -0.22 0.00 -1.21 0.00 0.00 61.69 59.83 3fgo s THR 566 Cb 0.07 -0.64 0.05 0.00 -1.51 0.00 0.00 72.50 70.46 3fgo s THR 566 CO -0.06 0.10 0.83 -0.60 -2.21 0.00 0.00 174.62 172.68 3fgo s ARG 567 N -0.50 3.26 0.44 7.08 3.52 0.10 0.95 118.95 133.80 3fgo s ARG 567 Ca 0.02 -0.47 0.17 0.00 -0.13 0.00 0.00 55.73 55.31 3fgo s ARG 567 Cb -0.05 -4.06 1.01 0.00 -1.56 0.00 0.00 34.95 30.28 3fgo s ARG 567 CO 0.00 -1.39 1.96 -0.44 -0.81 0.00 0.00 175.30 174.62 3fgo h ASP 568 N 9.20 0.00 -2.79 -2.12 3.45 -1.86 -2.87 116.42 119.43 3fgo h ASP 568 Ca -0.27 0.00 -0.61 0.00 0.43 0.00 0.00 57.03 56.59 3fgo h ASP 568 Cb 1.08 0.00 -0.41 0.00 -0.56 0.00 0.00 39.33 39.44 3fgo h ASP 568 CO 1.04 0.23 -0.70 0.41 -1.57 0.00 0.00 179.24 178.65 3fgo n THR 569 N -4.10 0.87 -1.84 0.35 -1.04 -1.26 -4.79 114.28 102.46 3fgo n THR 569 Ca -0.02 -4.49 -0.35 0.00 -2.04 0.00 0.00 64.05 57.15 3fgo n THR 569 Cb 0.30 -2.03 0.05 0.00 -1.82 0.00 0.00 70.33 66.82 3fgo n THR 569 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3fgo s PRO 570 N -1.14 2.74 1.15 -2.82 0.02 -1.25 -5.00 135.00 128.70 3fgo s PRO 570 Ca 0.29 1.81 -0.12 0.00 0.02 0.00 0.00 61.00 62.99 3fgo s PRO 570 Cb 0.00 -1.90 0.28 0.00 0.02 0.00 0.00 34.50 32.90 3fgo s PRO 570 CO -0.16 -1.39 1.04 -2.14 -0.33 0.00 0.00 177.00 174.02 3fgo s PRO 571 N -3.52 -0.85 0.28 5.54 0.02 -1.26 -4.95 135.00 130.26 3fgo s PRO 571 Ca 0.77 0.96 -0.29 0.00 0.02 0.00 0.00 61.00 62.45 3fgo s PRO 571 Cb -0.30 -1.55 -0.10 0.00 0.02 0.00 0.00 34.50 32.57 3fgo s PRO 571 CO 0.37 -3.71 1.36 0.15 -0.33 0.00 0.00 177.00 174.83 3fgo s LYS 572 N -4.44 4.33 0.27 5.54 3.01 -1.26 -4.92 119.74 122.28 3fgo s LYS 572 Ca 0.69 2.22 0.05 0.00 -1.01 0.00 0.00 55.97 57.92 3fgo s LYS 572 Cb -0.25 -3.11 0.76 0.00 -1.01 0.00 0.00 37.83 34.22 3fgo s LYS 572 CO 0.64 -0.28 1.32 0.54 0.51 0.00 0.00 175.35 178.08 3fgo n ARG 573 N 1.69 -0.06 0.24 1.68 1.74 -1.26 -0.61 116.66 120.08 3fgo n ARG 573 Ca 0.04 1.23 0.16 0.00 -0.77 0.00 0.00 57.85 58.51 3fgo n ARG 573 Cb 0.41 -2.02 0.76 0.00 -1.02 0.00 0.00 32.46 30.60 3fgo n ARG 573 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3fgo h GLU 574 N 0.00 0.00 -0.27 5.56 3.07 -2.03 -2.66 114.58 118.25 3fgo h GLU 574 Ca 0.56 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.42 3fgo h GLU 574 Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 3fgo h GLU 574 CO -0.76 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.24 3fgo n GLU 575 N -2.75 2.21 -3.97 2.33 1.02 0.22 -4.90 120.64 114.80 3fgo n GLU 575 Ca -0.00 -2.04 -0.35 0.00 -0.02 0.00 0.00 57.16 54.75 3fgo n GLU 575 Cb 0.18 -1.43 -0.12 0.00 -0.02 0.00 0.00 31.44 30.05 3fgo n GLU 575 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3fgo s MET 576 N -1.43 3.66 -0.60 3.49 -1.94 -1.00 -4.96 119.30 116.51 3fgo s MET 576 Ca 0.31 -0.49 -0.20 0.00 -1.71 0.00 0.00 55.69 53.60 3fgo s MET 576 Cb 0.19 -3.17 0.09 0.00 2.01 0.00 0.00 34.83 33.95 3fgo s MET 576 CO 0.27 -0.03 0.78 0.54 -0.01 0.00 0.00 175.02 176.57 3fgo s VAL 577 N 1.13 4.67 -1.82 -6.03 0.11 -1.26 -4.88 120.40 112.32 3fgo s VAL 577 Ca 0.03 -0.74 0.30 0.00 -2.93 0.00 0.00 61.98 58.64 3fgo s VAL 577 Cb -0.14 -4.53 0.65 0.00 -1.53 0.00 0.00 36.38 30.82 3fgo s VAL 577 CO 0.02 -1.20 2.03 0.18 -3.33 0.00 0.00 175.10 172.80 3fgo n LEU 578 N 6.75 0.31 -0.27 2.54 4.77 -1.26 -2.78 117.00 127.05 3fgo n LEU 578 Ca -0.07 0.01 0.07 0.00 -0.03 0.00 0.00 56.01 55.99 3fgo n LEU 578 Cb 0.44 -0.12 0.14 0.00 -2.33 0.00 0.00 43.42 41.55 3fgo n LEU 578 CO 0.60 0.05 0.59 -0.90 -1.33 0.00 0.00 177.39 176.40 3fgo n ASP 579 N -0.92 2.65 -3.70 -1.43 3.85 -1.26 -4.78 116.55 110.95 3fgo n ASP 579 Ca 0.18 -2.78 -0.30 0.00 -0.71 0.00 0.00 54.79 51.19 3fgo n ASP 579 Cb 0.22 -0.35 -0.13 0.00 -1.35 0.00 0.00 41.12 39.50 3fgo n ASP 579 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3fgo s ASP 580 N -2.17 3.66 0.55 -1.12 3.68 -1.12 -5.00 116.67 115.15 3fgo s ASP 580 Ca 0.27 -2.47 0.24 0.00 2.13 0.00 0.00 52.55 52.72 3fgo s ASP 580 Cb 0.23 -0.98 1.52 0.00 -1.45 0.00 0.00 42.92 42.23 3fgo s ASP 580 CO 0.05 -0.29 2.15 0.77 0.13 0.00 0.00 175.17 177.97 3fgo h SER 581 N 6.92 0.00 0.12 -0.34 4.64 -1.86 -0.17 113.55 122.86 3fgo h SER 581 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3fgo h SER 581 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3fgo h SER 581 CO 0.46 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.19 3fgo h SER 582 N 0.00 0.00 0.71 4.97 4.64 -1.94 0.17 113.55 122.09 3fgo h SER 582 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3fgo h SER 582 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3fgo h SER 582 CO -0.00 0.00 -0.30 0.54 -0.87 0.00 0.00 176.83 176.20 3fgo n ARG 583 N -2.75 0.01 -0.15 4.77 5.12 -0.08 -4.31 116.66 119.27 3fgo n ARG 583 Ca -0.02 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.81 3fgo n ARG 583 Cb 0.08 -1.50 0.04 0.00 -1.16 0.00 0.00 32.46 29.92 3fgo n ARG 583 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 3fgo h PHE 584 N 0.00 1.06 -0.61 -1.55 0.05 -0.79 -2.69 116.94 112.41 3fgo h PHE 584 Ca 0.00 -0.23 0.10 0.00 3.82 0.00 0.00 57.97 61.65 3fgo h PHE 584 Cb 0.50 -0.26 -0.07 0.00 2.00 0.00 0.00 35.95 38.12 3fgo h PHE 584 CO 0.00 1.02 0.22 1.98 -0.18 0.00 0.00 178.31 181.36 3fgo h MET 585 N 0.83 0.39 -0.91 1.51 4.05 -1.75 -1.87 114.93 117.17 3fgo h MET 585 Ca 0.12 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.55 3fgo h MET 585 Cb 0.71 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.37 3fgo h MET 585 CO 0.05 0.26 0.60 1.49 0.23 0.00 0.00 176.91 179.54 3fgo h GLU 586 N 0.40 1.14 0.00 0.39 4.57 -1.76 -0.49 114.58 118.83 3fgo h GLU 586 Ca 0.31 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.40 3fgo h GLU 586 Cb 0.39 -0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 28.72 3fgo h GLU 586 CO -0.31 0.76 -0.11 1.88 -1.18 0.00 0.00 179.01 180.05 3fgo h TYR 587 N 1.18 0.00 -1.81 0.92 0.05 -1.33 -2.94 116.97 113.04 3fgo h TYR 587 Ca 0.36 0.00 -0.75 0.00 0.05 0.00 0.00 58.73 58.39 3fgo h TYR 587 Cb -0.04 0.00 -0.28 0.00 1.01 0.00 0.00 36.73 37.42 3fgo h TYR 587 CO -0.01 0.11 0.98 0.39 -1.05 0.00 0.00 178.16 178.57 3fgo n GLU 588 N -3.30 2.76 -4.63 4.88 1.02 -0.19 -4.83 120.64 116.36 3fgo n GLU 588 Ca -0.00 -3.51 -0.28 0.00 -0.02 0.00 0.00 57.16 53.34 3fgo n GLU 588 Cb 0.33 -2.27 -0.09 0.00 -0.02 0.00 0.00 31.44 29.38 3fgo n GLU 588 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3fgo s THR 589 N -5.05 1.40 -1.42 2.62 -4.23 -1.11 -4.76 115.64 103.08 3fgo s THR 589 Ca 0.54 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.96 3fgo s THR 589 Cb 0.45 -2.59 0.02 0.00 1.34 0.00 0.00 72.50 71.72 3fgo s THR 589 CO -0.34 0.00 1.04 -0.67 -0.54 0.00 0.00 174.62 174.11 3fgo n ASP 590 N -1.07 -6.08 -4.89 3.99 2.03 -1.06 -4.91 116.55 104.55 3fgo n ASP 590 Ca -0.10 -0.53 -0.29 0.00 0.52 0.00 0.00 54.79 54.39 3fgo n ASP 590 Cb 0.67 -4.82 0.05 0.00 -0.72 0.00 0.00 41.12 36.30 3fgo n ASP 590 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3fgo s LEU 591 N -7.19 2.92 -0.23 -2.67 1.43 -0.10 -4.60 118.68 108.23 3fgo s LEU 591 Ca 0.55 1.04 -0.05 0.00 -1.03 0.00 0.00 54.13 54.64 3fgo s LEU 591 Cb -0.25 -3.81 -0.01 0.00 0.03 0.00 0.00 46.19 42.15 3fgo s LEU 591 CO 0.68 -1.35 -0.01 -0.89 0.23 0.00 0.00 176.35 175.01 3fgo s THR 592 N -3.32 3.60 0.19 5.49 2.01 0.27 -1.36 115.64 122.51 3fgo s THR 592 Ca 0.58 -0.45 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 3fgo s THR 592 Cb -0.11 -2.67 -0.09 0.00 0.01 0.00 0.00 72.50 69.64 3fgo s THR 592 CO 0.51 0.37 1.36 0.12 -0.69 0.00 0.00 174.62 176.29 3fgo s PHE 593 N 1.51 3.20 -0.13 4.92 2.19 0.23 -1.54 117.98 128.35 3fgo s PHE 593 Ca 0.06 1.10 -0.10 0.00 0.33 0.00 0.00 56.93 58.31 3fgo s PHE 593 Cb -0.15 -3.68 -0.06 0.00 -1.31 0.00 0.00 43.02 37.83 3fgo s PHE 593 CO -0.01 -2.20 -0.23 0.28 1.83 0.00 0.00 175.22 174.88 3fgo n VAL 594 N 2.89 1.21 -3.87 3.12 0.31 -0.29 0.20 118.33 121.91 3fgo n VAL 594 Ca 0.08 0.01 -0.02 0.00 -0.01 0.00 0.00 64.34 64.39 3fgo n VAL 594 Cb 0.42 -1.92 0.02 0.00 -0.91 0.00 0.00 33.84 31.44 3fgo n VAL 594 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fgo n GLY 595 N 2.04 0.64 3.04 2.92 0.00 -1.09 -4.07 105.19 108.67 3fgo n GLY 595 Ca -0.21 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 44.53 3fgo n GLY 595 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fgo s VAL 596 N -2.10 0.59 0.06 1.61 1.01 -0.39 -1.10 120.40 120.08 3fgo s VAL 596 Ca 0.21 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.47 3fgo s VAL 596 Cb -0.02 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 3fgo s VAL 596 CO 0.05 -0.16 -0.20 0.68 0.00 0.00 0.00 175.10 175.47 3fgo s VAL 597 N -0.89 1.61 -0.12 2.92 -7.23 -0.82 -0.38 120.40 115.49 3fgo s VAL 597 Ca -0.04 -1.29 0.01 0.00 -1.81 0.00 0.00 61.98 58.85 3fgo s VAL 597 Cb -0.07 -1.43 0.02 0.00 0.56 0.00 0.00 36.38 35.46 3fgo s VAL 597 CO 0.00 0.10 -0.13 -0.83 -0.31 0.00 0.00 175.10 173.92 3fgo s GLY 598 N -1.41 1.02 0.19 2.32 0.00 0.91 -0.96 107.32 109.40 3fgo s GLY 598 Ca 0.06 -0.75 0.08 0.00 0.00 0.00 0.00 44.72 44.12 3fgo s GLY 598 CO 0.02 0.43 -0.17 -3.16 0.00 0.00 0.00 173.10 170.22 3fgo s MET 599 N 1.27 1.32 0.13 2.90 0.23 -0.09 -1.18 119.30 123.87 3fgo s MET 599 Ca -0.01 -1.51 -0.13 0.00 -1.03 0.00 0.00 55.69 53.01 3fgo s MET 599 Cb -0.14 -1.25 0.02 0.00 -1.53 0.00 0.00 34.83 31.93 3fgo s MET 599 CO -0.06 0.23 0.34 -0.48 -2.03 0.00 0.00 175.02 173.03 3fgo s LEU 600 N -3.00 0.72 -0.63 0.18 2.34 -0.04 -0.85 118.68 117.39 3fgo s LEU 600 Ca 0.19 -0.49 -0.22 0.00 0.06 0.00 0.00 54.13 53.67 3fgo s LEU 600 Cb -0.03 1.57 0.07 0.00 -0.56 0.00 0.00 46.19 47.23 3fgo s LEU 600 CO 0.07 -0.84 0.92 -0.62 -1.06 0.00 0.00 176.35 174.82 3fgo s ASP 601 N -2.84 6.20 0.44 1.48 2.15 -1.26 -1.06 116.67 121.76 3fgo s ASP 601 Ca 0.06 -0.94 -0.20 0.00 0.43 0.00 0.00 52.55 51.89 3fgo s ASP 601 Cb 0.03 -2.40 -0.10 0.00 -0.30 0.00 0.00 42.92 40.14 3fgo s ASP 601 CO -0.10 -1.36 0.94 -2.16 -0.17 0.00 0.00 175.17 172.33 3fgo s PRO 602 N 3.86 4.18 0.41 4.34 0.04 -1.26 -4.79 135.00 141.77 3fgo s PRO 602 Ca 0.22 1.07 -0.26 0.00 0.04 0.00 0.00 61.00 62.07 3fgo s PRO 602 Cb -0.17 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 32.09 3fgo s PRO 602 CO 0.11 -0.06 1.36 -2.14 0.04 0.00 0.00 177.00 176.32 3fgo s PRO 603 N -3.30 3.94 0.57 0.56 0.02 -1.26 -1.72 135.00 133.80 3fgo s PRO 603 Ca 0.61 2.29 -0.20 0.00 0.02 0.00 0.00 61.00 63.72 3fgo s PRO 603 Cb -0.09 -2.78 -0.05 0.00 0.02 0.00 0.00 34.50 31.59 3fgo s PRO 603 CO 0.16 -0.56 1.10 0.54 -0.33 0.00 0.00 177.00 177.90 3fgo n ARG 604 N 0.14 1.17 -0.22 5.54 1.74 -0.39 -4.76 116.66 119.88 3fgo n ARG 604 Ca 0.03 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 3fgo n ARG 604 Cb 0.42 -2.29 0.23 0.00 -1.02 0.00 0.00 32.46 29.81 3fgo n ARG 604 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 3fgo h LYS 605 N 0.85 1.01 -0.02 5.56 2.10 -1.94 -2.76 116.57 121.36 3fgo h LYS 605 Ca -0.49 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.09 3fgo h LYS 605 Cb 1.34 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 3fgo h LYS 605 CO 0.53 0.68 0.00 -0.85 -2.00 0.00 0.00 179.45 177.81 3fgo n GLU 606 N -4.41 1.54 -0.08 0.07 0.00 -1.26 -4.30 120.64 112.20 3fgo n GLU 606 Ca 0.08 -0.79 -0.12 0.00 0.00 0.00 0.00 57.16 56.33 3fgo n GLU 606 Cb 0.04 -1.47 -0.05 0.00 0.00 0.00 0.00 31.44 29.96 3fgo n GLU 606 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3fgo h VAL 607 N 1.90 1.29 -0.32 3.84 2.07 -1.83 -2.06 116.25 121.15 3fgo h VAL 607 Ca 0.00 -1.12 0.06 0.00 0.82 0.00 0.00 66.70 66.45 3fgo h VAL 607 Cb 0.40 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 3fgo h VAL 607 CO 0.00 0.35 0.00 -0.03 0.02 0.00 0.00 177.57 177.91 3fgo h MET 608 N 0.20 0.09 -0.12 1.57 -1.53 -1.78 0.60 114.93 113.95 3fgo h MET 608 Ca 0.06 -0.01 -0.06 0.00 -3.44 0.00 0.00 59.70 56.25 3fgo h MET 608 Cb 0.56 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.58 3fgo h MET 608 CO 0.03 0.06 -0.19 0.78 0.14 0.00 0.00 176.91 177.73 3fgo h GLY 609 N 0.09 0.22 1.06 1.39 0.00 -1.81 -2.39 103.07 101.63 3fgo h GLY 609 Ca 0.15 -0.14 -0.16 0.00 0.00 0.00 0.00 47.33 47.18 3fgo h GLY 609 CO -0.26 0.13 -0.43 1.76 0.00 0.00 0.00 176.54 177.75 3fgo h SER 610 N 0.19 0.87 -0.26 0.19 0.02 -0.55 -2.33 113.55 111.68 3fgo h SER 610 Ca 0.04 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3fgo h SER 610 Cb 0.45 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3fgo h SER 610 CO 0.03 1.22 0.17 0.40 -1.14 0.00 0.00 176.83 177.50 3fgo h ILE 611 N 0.55 1.07 -0.63 3.27 1.08 -0.44 -1.08 117.51 121.34 3fgo h ILE 611 Ca 0.03 -0.15 0.01 0.00 -0.39 0.00 0.00 64.86 64.35 3fgo h ILE 611 Cb 1.03 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 35.46 3fgo h ILE 611 CO 0.10 0.07 0.42 -0.61 -0.69 0.00 0.00 178.15 177.44 3fgo h GLN 612 N 0.35 0.82 -0.92 2.37 5.75 -1.44 -1.11 115.11 120.93 3fgo h GLN 612 Ca 0.09 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.56 3fgo h GLN 612 Cb -0.03 -0.19 -0.05 0.00 1.07 0.00 0.00 27.48 28.29 3fgo h GLN 612 CO -0.02 0.55 0.61 -0.07 -2.65 0.00 0.00 178.83 177.24 3fgo h LEU 613 N 0.85 1.05 -0.56 -2.39 3.38 -1.15 0.03 115.31 116.52 3fgo h LEU 613 Ca 0.23 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.20 3fgo h LEU 613 Cb -0.10 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.36 3fgo h LEU 613 CO -0.05 0.76 0.33 0.00 0.09 0.00 0.00 178.44 179.57 3fgo h ARG 615 N 0.65 1.06 -0.12 0.00 2.43 -0.47 0.25 114.38 118.18 3fgo h ARG 615 Ca 0.23 -0.18 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3fgo h ARG 615 Cb 0.03 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3fgo h ARG 615 CO -0.10 0.85 0.09 -0.44 -1.51 0.00 0.00 179.97 178.86 3fgo h ASP 616 N 1.02 0.00 -0.47 -3.80 3.32 -0.38 0.63 116.42 116.74 3fgo h ASP 616 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3fgo h ASP 616 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3fgo h ASP 616 CO -0.02 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.50 3fgo n ALA 617 N -2.54 2.74 -2.07 3.45 0.00 -0.61 -4.44 120.51 117.04 3fgo n ALA 617 Ca -0.00 -1.01 -0.15 0.00 0.00 0.00 0.00 53.44 52.28 3fgo n ALA 617 Cb 0.20 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 3fgo n ALA 617 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fgo n GLY 618 N 1.03 0.20 3.45 0.00 0.00 0.21 -3.74 105.19 106.34 3fgo n GLY 618 Ca 0.17 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 3fgo n GLY 618 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fgo s ILE 619 N -2.69 4.19 0.24 -0.61 1.01 0.79 -4.51 121.20 119.62 3fgo s ILE 619 Ca 0.00 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.14 3fgo s ILE 619 Cb 0.00 -2.94 -0.09 0.00 0.01 0.00 0.00 42.46 39.44 3fgo s ILE 619 CO 0.00 0.37 1.15 -0.13 0.00 0.00 0.00 174.94 176.33 3fgo s ARG 620 N 1.38 4.57 -0.21 2.79 0.52 -0.61 -3.43 118.95 123.95 3fgo s ARG 620 Ca 0.05 1.85 -0.04 0.00 -0.52 0.00 0.00 55.73 57.07 3fgo s ARG 620 Cb -0.15 -3.20 -0.01 0.00 0.52 0.00 0.00 34.95 32.11 3fgo s ARG 620 CO 0.03 0.07 -0.05 0.08 0.02 0.00 0.00 175.30 175.45 3fgo s VAL 621 N -0.71 3.42 -0.22 3.52 1.01 -1.26 -0.20 120.40 125.96 3fgo s VAL 621 Ca 0.48 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.94 3fgo s VAL 621 Cb -0.33 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 3fgo s VAL 621 CO 0.40 0.43 -0.05 -0.63 0.00 0.00 0.00 175.10 175.25 3fgo s ILE 622 N 1.30 3.27 -0.05 2.22 1.01 -0.07 -4.86 121.20 124.02 3fgo s ILE 622 Ca 0.04 -0.56 -0.30 0.00 0.00 0.00 0.00 60.65 59.83 3fgo s ILE 622 Cb -0.14 -2.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.81 3fgo s ILE 622 CO -0.02 0.41 0.98 -0.32 0.00 0.00 0.00 174.94 176.00 3fgo s MET 623 N 1.46 4.49 -0.21 2.79 -2.45 0.11 0.54 119.30 126.03 3fgo s MET 623 Ca 0.05 1.39 -0.00 0.00 -1.25 0.00 0.00 55.69 55.88 3fgo s MET 623 Cb -0.14 -3.50 0.05 0.00 1.25 0.00 0.00 34.83 32.49 3fgo s MET 623 CO -0.04 -0.18 -0.03 0.42 1.05 0.00 0.00 175.02 176.24 3fgo s ILE 624 N 1.50 1.19 0.01 10.11 1.01 0.14 -0.57 121.20 134.60 3fgo s ILE 624 Ca 0.50 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 60.25 3fgo s ILE 624 Cb -0.20 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 3fgo s ILE 624 CO 0.23 -0.06 -0.03 0.28 0.00 0.00 0.00 174.94 175.35 3fgo s THR 625 N 1.57 0.20 0.21 2.92 -1.32 0.19 -3.90 115.64 115.50 3fgo s THR 625 Ca -0.03 -0.55 0.34 0.00 -1.21 0.00 0.00 61.69 60.24 3fgo s THR 625 Cb -0.17 -0.26 0.38 0.00 -1.51 0.00 0.00 72.50 70.94 3fgo s THR 625 CO -0.07 -0.23 2.03 1.23 -2.21 0.00 0.00 174.62 175.37 3fgo h GLY 626 N 5.30 0.00 -0.91 6.08 0.00 -1.75 -1.53 103.07 110.26 3fgo h GLY 626 Ca -0.30 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.62 3fgo h GLY 626 CO 0.45 0.00 0.12 -0.35 0.00 0.00 0.00 176.54 176.76 3fgo s ASP 627 N -5.69 0.86 0.51 0.19 -1.08 -1.26 -3.44 116.67 106.75 3fgo s ASP 627 Ca -0.00 0.69 -0.10 0.00 -0.52 0.00 0.00 52.55 52.62 3fgo s ASP 627 Cb 0.10 -0.97 -0.05 0.00 -1.46 0.00 0.00 42.92 40.54 3fgo s ASP 627 CO 0.54 -4.17 0.88 0.20 0.52 0.00 0.00 175.17 173.14 3fgo s ASN 628 N -3.80 6.38 0.12 -0.34 0.01 -1.26 0.34 114.94 116.39 3fgo s ASN 628 Ca 0.70 1.23 -0.23 0.00 -0.71 0.00 0.00 52.86 53.86 3fgo s ASN 628 Cb -0.11 -2.37 -0.06 0.00 0.41 0.00 0.00 41.25 39.12 3fgo s ASN 628 CO 0.56 -0.62 1.69 0.50 -1.51 0.00 0.00 177.10 177.72 3fgo h LYS 629 N 0.45 -0.16 -0.48 -0.60 3.64 -1.94 -0.26 116.57 117.22 3fgo h LYS 629 Ca -0.46 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.03 3fgo h LYS 629 Cb 1.19 0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.95 3fgo h LYS 629 CO 0.62 -0.10 -0.26 0.78 -2.27 0.00 0.00 179.45 178.22 3fgo h GLY 630 N -0.16 0.02 0.85 5.01 0.00 -1.99 0.99 103.07 107.78 3fgo h GLY 630 Ca 0.06 0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 3fgo h GLY 630 CO -0.16 -0.21 0.04 -0.84 0.00 0.00 0.00 176.54 175.37 3fgo h THR 631 N -0.15 1.20 -0.50 4.70 2.02 -1.85 -1.88 112.91 116.45 3fgo h THR 631 Ca 0.22 -0.65 0.08 0.00 0.77 0.00 0.00 66.41 66.83 3fgo h THR 631 Cb 0.50 1.29 -0.07 0.00 -1.74 0.00 0.00 68.15 68.13 3fgo h THR 631 CO -0.57 0.20 0.11 0.00 0.37 0.00 0.00 175.52 175.63 3fgo h ALA 632 N 0.85 0.57 -0.42 6.16 0.00 -0.41 0.82 119.26 126.84 3fgo h ALA 632 Ca 0.06 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3fgo h ALA 632 Cb 0.27 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3fgo h ALA 632 CO 0.00 -0.29 0.05 0.82 0.00 0.00 0.00 179.25 179.83 3fgo h ILE 633 N 0.25 1.25 -0.99 0.00 2.04 -0.82 -1.25 117.51 118.00 3fgo h ILE 633 Ca 0.25 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 65.20 3fgo h ILE 633 Cb 0.32 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 3fgo h ILE 633 CO -0.31 0.31 0.64 0.00 0.00 0.00 0.00 178.15 178.79 3fgo h ALA 634 N 0.93 1.25 -0.19 1.87 0.00 -0.51 -0.25 119.26 122.37 3fgo h ALA 634 Ca 0.13 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3fgo h ALA 634 Cb 0.40 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3fgo h ALA 634 CO 0.01 0.66 -0.32 0.82 0.00 0.00 0.00 179.25 180.42 3fgo h ILE 635 N 1.34 1.28 -0.26 0.00 1.08 -0.75 -1.02 117.51 119.19 3fgo h ILE 635 Ca 0.36 -1.37 -0.04 0.00 -0.39 0.00 0.00 64.86 63.42 3fgo h ILE 635 Cb -0.13 1.50 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 3fgo h ILE 635 CO -0.07 0.42 0.00 0.00 -0.69 0.00 0.00 178.15 177.81 3fgo h ARG 637 N 0.37 0.60 -0.87 0.00 3.08 -0.41 0.23 114.38 117.38 3fgo h ARG 637 Ca 0.09 -0.84 0.10 0.00 0.07 0.00 0.00 59.98 59.40 3fgo h ARG 637 Cb 0.25 0.29 -0.08 0.00 0.08 0.00 0.00 29.97 30.51 3fgo h ARG 637 CO 0.01 1.39 0.51 0.00 -1.07 0.00 0.00 179.97 180.80 3fgo h ARG 638 N 0.21 0.82 -0.23 0.04 3.08 -0.78 -2.61 114.38 114.92 3fgo h ARG 638 Ca -0.20 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3fgo h ARG 638 Cb 1.95 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.81 3fgo h ARG 638 CO 0.24 0.54 0.00 0.44 -1.07 0.00 0.00 179.97 180.13 3fgo n ILE 639 N -4.71 0.28 -1.31 2.04 -5.35 -0.24 -4.92 119.36 105.15 3fgo n ILE 639 Ca 0.15 -0.57 -0.04 0.00 -0.27 0.00 0.00 62.75 62.02 3fgo n ILE 639 Cb 0.29 0.95 -0.02 0.00 -1.74 0.00 0.00 39.64 39.12 3fgo n ILE 639 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fgo n GLY 640 N 1.37 0.61 0.21 3.28 0.00 -0.56 -4.45 105.19 105.65 3fgo n GLY 640 Ca 0.17 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 3fgo n GLY 640 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3fgo h ILE 641 N 0.00 1.33 -2.30 -0.61 2.04 -1.28 -3.44 117.51 113.24 3fgo h ILE 641 Ca -0.09 -1.89 -0.58 0.00 1.00 0.00 0.00 64.86 63.29 3fgo h ILE 641 Cb 0.43 1.86 -0.12 0.00 -0.74 0.00 0.00 36.82 38.26 3fgo h ILE 641 CO 0.13 0.59 -0.70 -0.36 0.00 0.00 0.00 178.15 177.81 3fgo s PHE 642 N -3.89 2.54 0.77 1.37 2.99 -0.93 -5.02 117.98 115.82 3fgo s PHE 642 Ca -0.08 -0.26 -0.11 0.00 0.00 0.00 0.00 56.93 56.48 3fgo s PHE 642 Cb 0.11 -1.13 0.05 0.00 0.00 0.00 0.00 43.02 42.05 3fgo s PHE 642 CO 0.85 0.64 1.08 0.20 -0.00 0.00 0.00 175.22 178.00 3fgo s GLY 643 N -3.52 1.64 0.51 4.36 0.00 -1.26 -4.38 107.32 104.67 3fgo s GLY 643 Ca 0.30 -0.03 0.24 0.00 0.00 0.00 0.00 44.72 45.23 3fgo s GLY 643 CO 0.18 0.35 2.07 0.83 0.00 0.00 0.00 173.10 176.52 3fgo h GLU 644 N -1.01 0.00 0.00 2.90 5.08 -1.96 -2.63 114.58 116.96 3fgo h GLU 644 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3fgo h GLU 644 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3fgo h GLU 644 CO 0.57 0.13 0.00 -1.71 -1.00 0.00 0.00 179.01 177.00 3fgo n ASN 645 N -3.85 1.40 -4.71 1.42 5.15 -1.26 -4.99 115.26 108.42 3fgo n ASN 645 Ca -0.02 -1.66 -0.41 0.00 -0.60 0.00 0.00 54.58 51.89 3fgo n ASN 645 Cb 0.23 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.48 3fgo n ASN 645 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 3fgo n GLU 646 N -0.33 2.00 -2.96 1.20 2.13 -0.99 -4.94 120.64 116.74 3fgo n GLU 646 Ca 0.00 0.71 -0.40 0.00 0.66 0.00 0.00 57.16 58.12 3fgo n GLU 646 Cb 0.29 -2.40 -0.04 0.00 0.27 0.00 0.00 31.44 29.56 3fgo n GLU 646 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3fgo s GLU 647 N -2.17 4.39 -0.11 5.31 -6.30 -1.26 -4.87 118.70 113.69 3fgo s GLU 647 Ca 0.60 0.96 0.14 0.00 -2.50 0.00 0.00 54.97 54.18 3fgo s GLU 647 Cb -0.51 -3.50 0.32 0.00 0.00 0.00 0.00 34.13 30.44 3fgo s GLU 647 CO 0.59 -0.09 1.22 1.33 0.02 0.00 0.00 175.26 178.33 3fgo n VAL 648 N 4.15 1.78 -0.32 3.70 0.24 -1.26 -4.78 118.33 121.84 3fgo n VAL 648 Ca 0.01 -1.82 0.19 0.00 -2.04 0.00 0.00 64.34 60.69 3fgo n VAL 648 Cb 0.50 -0.05 0.40 0.00 -1.47 0.00 0.00 33.84 33.22 3fgo n VAL 648 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fgo h ALA 649 N 0.76 1.72 0.00 2.33 0.00 -1.92 0.00 119.26 122.15 3fgo h ALA 649 Ca 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3fgo h ALA 649 Cb 1.03 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3fgo h ALA 649 CO 0.07 -0.49 -0.26 -0.40 0.00 0.00 0.00 179.25 178.16 3fgo n ASP 650 N -5.08 2.01 0.00 0.00 5.75 -1.26 -4.56 116.55 113.41 3fgo n ASP 650 Ca 0.28 -3.51 0.00 0.00 -0.01 0.00 0.00 54.79 51.54 3fgo n ASP 650 Cb 0.85 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 3fgo n ASP 650 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3fgo n ARG 651 N -1.27 2.07 -3.82 0.11 1.74 -0.08 -4.46 116.66 110.94 3fgo n ARG 651 Ca 0.18 -0.21 -0.13 0.00 -0.77 0.00 0.00 57.85 56.91 3fgo n ARG 651 Cb 0.67 -0.66 -0.15 0.00 -1.02 0.00 0.00 32.46 31.30 3fgo n ARG 651 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fgo s ALA 652 N -0.36 0.01 -0.02 7.54 0.00 -0.77 -1.40 121.76 126.77 3fgo s ALA 652 Ca 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 51.96 52.09 3fgo s ALA 652 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.99 3fgo s ALA 652 CO 0.00 -0.05 0.08 0.71 0.00 0.00 0.00 175.76 176.50 3fgo s TYR 653 N 0.50 -0.00 0.57 0.00 2.02 -0.18 -4.88 117.35 115.38 3fgo s TYR 653 Ca -0.04 0.02 -0.14 0.00 -0.37 0.00 0.00 57.07 56.53 3fgo s TYR 653 Cb -0.06 -0.03 -0.05 0.00 -0.40 0.00 0.00 41.96 41.42 3fgo s TYR 653 CO -0.01 -0.14 1.02 0.95 -1.57 0.00 0.00 175.55 175.80 3fgo s THR 654 N -0.59 4.38 0.26 -0.71 -4.23 -1.26 -0.07 115.64 113.42 3fgo s THR 654 Ca -0.07 1.01 -0.01 0.00 -1.18 0.00 0.00 61.69 61.44 3fgo s THR 654 Cb -0.04 -3.66 0.25 0.00 1.34 0.00 0.00 72.50 70.39 3fgo s THR 654 CO 0.00 -0.78 1.78 1.23 -0.54 0.00 0.00 174.62 176.31 3fgo h GLY 655 N 0.36 1.42 1.00 3.99 0.00 -0.92 0.94 103.07 109.86 3fgo h GLY 655 Ca -0.46 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 3fgo h GLY 655 CO 0.60 0.00 0.36 -0.09 0.00 0.00 0.00 176.54 177.41 3fgo h ARG 656 N 0.69 0.89 -0.49 4.80 2.43 -1.84 0.88 114.38 121.74 3fgo h ARG 656 Ca 0.46 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.47 3fgo h ARG 656 Cb 0.61 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 3fgo h ARG 656 CO -0.34 0.66 0.05 0.93 -1.51 0.00 0.00 179.97 179.76 3fgo h GLU 657 N 0.87 0.83 -0.74 0.20 5.08 -1.66 -2.11 114.58 117.05 3fgo h GLU 657 Ca 0.23 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3fgo h GLU 657 Cb 0.03 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 3fgo h GLU 657 CO -0.04 0.85 0.45 0.35 -1.00 0.00 0.00 179.01 179.62 3fgo h PHE 658 N 0.70 0.83 -0.46 4.33 3.04 -0.66 -2.30 116.94 122.42 3fgo h PHE 658 Ca 0.14 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.10 3fgo h PHE 658 Cb 0.45 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.66 3fgo h PHE 658 CO 0.03 0.45 0.19 -0.44 -2.02 0.00 0.00 178.31 176.52 3fgo h ASP 659 N 0.85 0.59 0.60 0.41 3.32 -0.18 -1.67 116.42 120.34 3fgo h ASP 659 Ca 0.31 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3fgo h ASP 659 Cb 0.09 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3fgo h ASP 659 CO -0.14 0.53 0.00 0.47 -1.72 0.00 0.00 179.24 178.38 3fgo n ASP 660 N -4.37 0.58 -4.77 6.45 9.92 -0.87 -4.75 116.55 118.74 3fgo n ASP 660 Ca 0.04 0.66 -0.38 0.00 -0.53 0.00 0.00 54.79 54.57 3fgo n ASP 660 Cb 0.14 -0.78 -0.05 0.00 -0.64 0.00 0.00 41.12 39.79 3fgo n ASP 660 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3fgo s LEU 661 N -4.32 4.42 0.72 0.64 1.43 -0.63 -5.04 118.68 115.90 3fgo s LEU 661 Ca 0.03 2.01 -0.16 0.00 -1.03 0.00 0.00 54.13 54.99 3fgo s LEU 661 Cb 0.09 -3.87 -0.01 0.00 0.03 0.00 0.00 46.19 42.44 3fgo s LEU 661 CO 0.35 -0.13 0.84 -2.65 0.23 0.00 0.00 176.35 174.99 3fgo n PRO 662 N 0.79 0.44 -0.33 1.29 -0.02 -1.26 -4.67 135.00 131.24 3fgo n PRO 662 Ca 0.01 0.20 0.12 0.00 -2.02 0.00 0.00 63.50 61.81 3fgo n PRO 662 Cb 0.48 -2.11 0.30 0.00 -0.02 0.00 0.00 33.50 32.15 3fgo n PRO 662 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3fgo h LEU 663 N -0.29 0.61 -1.17 2.45 4.07 -1.96 -0.27 115.31 118.75 3fgo h LEU 663 Ca -0.47 0.11 -0.08 0.00 0.08 0.00 0.00 57.88 57.52 3fgo h LEU 663 Cb 1.34 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 43.08 3fgo h LEU 663 CO 0.46 0.18 -0.40 0.00 -1.08 0.00 0.00 178.44 177.60 3fgo h ALA 664 N 1.64 1.24 0.19 1.53 0.00 -2.00 -2.29 119.26 119.57 3fgo h ALA 664 Ca 0.55 -0.36 -0.31 0.00 0.00 0.00 0.00 54.91 54.79 3fgo h ALA 664 Cb 0.90 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.66 3fgo h ALA 664 CO -0.42 0.50 -1.35 0.93 0.00 0.00 0.00 179.25 178.91 3fgo h GLU 665 N 0.00 0.49 -0.60 0.00 4.39 -1.43 -2.46 114.58 114.97 3fgo h GLU 665 Ca -0.00 -0.78 0.10 0.00 0.34 0.00 0.00 59.36 59.02 3fgo h GLU 665 Cb 0.75 0.28 -0.08 0.00 -0.10 0.00 0.00 28.75 29.60 3fgo h GLU 665 CO 0.05 1.36 0.17 1.96 -1.16 0.00 0.00 179.01 181.40 3fgo h GLN 666 N 0.16 0.32 -0.32 2.33 4.20 -1.14 0.29 115.11 120.95 3fgo h GLN 666 Ca -0.21 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.42 3fgo h GLN 666 Cb 2.05 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.74 3fgo h GLN 666 CO 0.25 0.21 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.47 3fgo h ARG 667 N 0.33 0.61 -0.16 1.46 2.43 -1.32 -2.64 114.38 115.08 3fgo h ARG 667 Ca 0.31 -0.22 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 3fgo h ARG 667 Cb 0.42 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3fgo h ARG 667 CO -0.35 0.78 -0.41 1.49 -1.51 0.00 0.00 179.97 179.96 3fgo h GLU 668 N 0.39 0.36 0.00 0.20 4.57 -1.07 -2.75 114.58 116.28 3fgo h GLU 668 Ca 0.08 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 3fgo h GLU 668 Cb 0.54 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3fgo h GLU 668 CO 0.03 0.71 -0.03 0.00 -1.18 0.00 0.00 179.01 178.54 3fgo h ALA 669 N 1.27 1.55 0.00 2.92 0.00 -0.09 -0.80 119.26 124.11 3fgo h ALA 669 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3fgo h ALA 669 Cb 0.85 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3fgo h ALA 669 CO 0.07 0.03 -0.04 0.00 0.00 0.00 0.00 179.25 179.31 3fgo n ARG 671 N -3.13 0.57 -0.05 0.00 1.74 -0.34 -4.51 116.66 110.95 3fgo n ARG 671 Ca 0.02 0.09 -0.04 0.00 -0.77 0.00 0.00 57.85 57.15 3fgo n ARG 671 Cb 0.42 -1.79 -0.09 0.00 -1.02 0.00 0.00 32.46 29.98 3fgo n ARG 671 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3fgo n ARG 672 N -2.58 1.85 -3.58 5.56 0.63 -1.03 -5.01 116.66 112.51 3fgo n ARG 672 Ca 0.00 -0.02 -0.30 0.00 -0.92 0.00 0.00 57.85 56.61 3fgo n ARG 672 Cb 0.54 -1.30 -0.04 0.00 0.45 0.00 0.00 32.46 32.11 3fgo n ARG 672 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fgo s ALA 673 N -2.37 3.74 0.00 5.13 0.00 -0.15 -4.79 121.76 123.33 3fgo s ALA 673 Ca -0.06 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.32 3fgo s ALA 673 Cb 0.04 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.99 3fgo s ALA 673 CO 0.48 0.51 0.46 0.00 0.00 0.00 0.00 175.76 177.21 3fgo s PHE 676 N 2.04 2.51 0.18 0.00 0.40 0.27 -1.01 117.98 122.37 3fgo s PHE 676 Ca 0.03 -1.10 0.03 0.00 -0.60 0.00 0.00 56.93 55.29 3fgo s PHE 676 Cb -0.14 -1.69 -0.05 0.00 0.51 0.00 0.00 43.02 41.65 3fgo s PHE 676 CO -0.06 -0.47 -0.02 0.00 0.70 0.00 0.00 175.22 175.37 3fgo s ALA 677 N 0.52 1.45 -1.52 5.36 0.00 0.90 -0.64 121.76 127.83 3fgo s ALA 677 Ca -0.15 -1.60 -0.10 0.00 0.00 0.00 0.00 51.96 50.12 3fgo s ALA 677 Cb -0.17 0.43 0.07 0.00 0.00 0.00 0.00 23.12 23.45 3fgo s ALA 677 CO 0.05 -0.26 0.73 -2.13 0.00 0.00 0.00 175.76 174.15 3fgo n ARG 678 N -0.26 -4.11 -3.73 0.00 0.63 0.15 -0.62 116.66 108.72 3fgo n ARG 678 Ca -0.07 0.48 -0.23 0.00 -0.92 0.00 0.00 57.85 57.11 3fgo n ARG 678 Cb 0.63 -5.06 -0.02 0.00 0.45 0.00 0.00 32.46 28.46 3fgo n ARG 678 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3fgo s VAL 679 N -3.53 5.20 0.50 5.15 -7.23 -1.12 -3.60 120.40 115.77 3fgo s VAL 679 Ca 0.42 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.88 3fgo s VAL 679 Cb -0.22 -3.84 0.01 0.00 0.56 0.00 0.00 36.38 32.89 3fgo s VAL 679 CO 0.87 -0.38 0.73 -1.61 -0.31 0.00 0.00 175.10 174.40 3fgo s GLU 680 N -3.98 2.87 0.36 4.82 2.02 -1.26 -4.35 118.70 119.19 3fgo s GLU 680 Ca 0.37 -0.54 0.09 0.00 0.02 0.00 0.00 54.97 54.90 3fgo s GLU 680 Cb -0.10 -2.51 0.82 0.00 0.10 0.00 0.00 34.13 32.45 3fgo s GLU 680 CO 0.31 -0.46 1.90 -1.35 0.02 0.00 0.00 175.26 175.68 3fgo h PRO 681 N 0.23 0.66 0.00 0.39 0.11 -1.78 -0.67 132.00 130.95 3fgo h PRO 681 Ca -0.45 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 3fgo h PRO 681 Cb 1.27 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3fgo h PRO 681 CO 0.56 0.44 -0.17 0.77 -0.21 0.00 0.00 178.00 179.39 3fgo h SER 682 N 0.68 0.00 -0.72 -2.05 0.02 -1.95 -2.31 113.55 107.22 3fgo h SER 682 Ca 0.41 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.30 3fgo h SER 682 Cb 0.62 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 3fgo h SER 682 CO -0.17 0.17 0.23 0.45 -1.14 0.00 0.00 176.83 176.37 3fgo h HIS 683 N 0.00 1.16 -0.33 3.45 3.86 -1.50 0.30 115.15 122.09 3fgo h HIS 683 Ca -0.00 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 3fgo h HIS 683 Cb 0.30 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 3fgo h HIS 683 CO 0.00 0.91 0.17 0.87 0.86 0.00 0.00 177.93 180.74 3fgo h LYS 684 N 1.07 0.47 0.00 2.45 1.57 -1.43 0.59 116.57 121.29 3fgo h LYS 684 Ca 0.23 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.83 3fgo h LYS 684 Cb 0.29 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3fgo h LYS 684 CO -0.01 0.43 -0.56 0.66 -0.57 0.00 0.00 179.45 179.40 3fgo h SER 685 N 0.40 0.00 -0.49 0.86 4.64 -1.46 -2.27 113.55 115.22 3fgo h SER 685 Ca 0.11 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 3fgo h SER 685 Cb 0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 3fgo h SER 685 CO -0.02 0.56 -0.02 0.50 -0.87 0.00 0.00 176.83 176.99 3fgo h LYS 686 N 0.00 0.88 -0.54 4.77 3.64 -0.36 -0.59 116.57 124.37 3fgo h LYS 686 Ca -0.01 -0.29 -0.03 0.00 -1.27 0.00 0.00 60.65 59.05 3fgo h LYS 686 Cb 1.07 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 3fgo h LYS 686 CO 0.07 0.93 0.23 0.82 -2.27 0.00 0.00 179.45 179.23 3fgo h ILE 687 N 0.74 1.21 -0.77 2.00 2.04 -0.69 -0.77 117.51 121.27 3fgo h ILE 687 Ca 0.14 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 3fgo h ILE 687 Cb 0.54 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 3fgo h ILE 687 CO 0.03 0.25 0.47 0.58 0.00 0.00 0.00 178.15 179.48 3fgo h VAL 688 N 0.73 1.22 -0.84 1.67 2.07 -1.20 -1.82 116.25 118.08 3fgo h VAL 688 Ca 0.18 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 3fgo h VAL 688 Cb 0.18 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 3fgo h VAL 688 CO -0.02 0.23 0.39 -0.08 0.02 0.00 0.00 177.57 178.11 3fgo h GLU 689 N 1.06 1.22 -0.25 1.57 4.81 -0.54 0.11 114.58 122.55 3fgo h GLU 689 Ca 0.28 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 3fgo h GLU 689 Cb -0.04 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.11 3fgo h GLU 689 CO -0.05 0.94 0.03 1.88 -0.73 0.00 0.00 179.01 181.08 3fgo h TYR 690 N 1.20 0.46 -0.44 0.92 0.99 -0.47 -0.99 116.97 118.64 3fgo h TYR 690 Ca 0.29 -0.07 0.06 0.00 2.00 0.00 0.00 58.73 61.01 3fgo h TYR 690 Cb 0.14 -0.12 -0.05 0.00 1.00 0.00 0.00 36.73 37.69 3fgo h TYR 690 CO 0.02 0.57 0.13 -0.07 -0.00 0.00 0.00 178.16 178.80 3fgo h LEU 691 N 0.23 0.10 -1.16 3.88 4.07 -1.04 -1.06 115.31 120.33 3fgo h LEU 691 Ca 0.08 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.10 3fgo h LEU 691 Cb 0.36 0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.17 3fgo h LEU 691 CO 0.01 0.09 0.00 1.56 -1.08 0.00 0.00 178.44 179.02 3fgo h GLN 692 N 0.28 0.00 -0.00 1.13 4.20 -0.09 -1.47 115.11 119.15 3fgo h GLN 692 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3fgo h GLN 692 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3fgo h GLN 692 CO -0.24 0.00 -0.07 -1.13 -0.67 0.00 0.00 178.83 176.72 3fgo n SER 693 N -2.41 0.43 -1.00 1.46 3.41 -0.40 -1.33 113.62 113.79 3fgo n SER 693 Ca 0.01 -0.68 0.09 0.00 -0.26 0.00 0.00 58.87 58.03 3fgo n SER 693 Cb 0.17 -0.08 0.23 0.00 -0.26 0.00 0.00 64.21 64.28 3fgo n SER 693 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3fgo n TYR 694 N -0.90 0.70 -2.14 7.33 4.02 -0.56 -4.94 117.16 120.66 3fgo n TYR 694 Ca 0.16 -0.47 -0.13 0.00 -0.01 0.00 0.00 57.90 57.45 3fgo n TYR 694 Cb 0.25 -0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 39.55 3fgo n TYR 694 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3fgo n ASP 695 N 1.10 -4.16 -4.74 7.72 8.00 -0.44 -4.99 116.55 119.04 3fgo n ASP 695 Ca 0.18 0.03 -0.41 0.00 0.71 0.00 0.00 54.79 55.30 3fgo n ASP 695 Cb 0.52 -3.28 -0.05 0.00 -0.02 0.00 0.00 41.12 38.29 3fgo n ASP 695 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3fgo s GLU 696 N -4.47 4.74 -0.05 -1.24 2.02 -1.16 -4.65 118.70 113.89 3fgo s GLU 696 Ca 0.00 1.52 -0.30 0.00 0.02 0.00 0.00 54.97 56.21 3fgo s GLU 696 Cb 0.00 -3.32 -0.03 0.00 0.10 0.00 0.00 34.13 30.88 3fgo s GLU 696 CO 0.00 0.30 1.19 0.42 0.02 0.00 0.00 175.26 177.19 3fgo s ILE 697 N -0.52 4.27 -0.01 -1.63 -1.09 -1.26 -4.32 121.20 116.64 3fgo s ILE 697 Ca 0.45 1.60 0.06 0.00 -2.23 0.00 0.00 60.65 60.53 3fgo s ILE 697 Cb -0.26 -4.03 -0.02 0.00 -1.58 0.00 0.00 42.46 36.58 3fgo s ILE 697 CO 0.32 0.01 -0.20 0.42 -1.23 0.00 0.00 174.94 174.26 3fgo s THR 698 N 2.11 1.58 0.12 2.92 -4.23 -1.26 -1.78 115.64 115.10 3fgo s THR 698 Ca 0.56 -0.88 0.06 0.00 -1.18 0.00 0.00 61.69 60.24 3fgo s THR 698 Cb -0.25 -1.32 -0.04 0.00 1.34 0.00 0.00 72.50 72.24 3fgo s THR 698 CO 0.22 0.42 -0.00 0.00 -0.54 0.00 0.00 174.62 174.72 3fgo s ALA 699 N -0.50 3.25 -0.06 3.99 0.00 0.57 -1.12 121.76 127.89 3fgo s ALA 699 Ca 0.08 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 50.88 3fgo s ALA 699 Cb -0.08 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.92 3fgo s ALA 699 CO -0.01 0.63 -0.17 1.41 0.00 0.00 0.00 175.76 177.63 3fgo s MET 700 N -2.49 1.99 -0.09 0.00 0.00 -0.03 0.34 119.30 119.01 3fgo s MET 700 Ca 0.26 -0.61 0.00 0.00 0.00 0.00 0.00 55.69 55.34 3fgo s MET 700 Cb -0.11 -1.65 -0.03 0.00 0.00 0.00 0.00 34.83 33.04 3fgo s MET 700 CO 0.18 0.18 -0.09 0.99 0.00 0.00 0.00 175.02 176.28 3fgo s THR 701 N 0.25 3.49 0.23 10.11 2.01 0.08 0.31 115.64 132.12 3fgo s THR 701 Ca -0.09 -0.54 -0.21 0.00 0.31 0.00 0.00 61.69 61.16 3fgo s THR 701 Cb -0.14 -2.45 0.07 0.00 0.01 0.00 0.00 72.50 70.00 3fgo s THR 701 CO 0.04 0.56 0.98 -0.83 -0.69 0.00 0.00 174.62 174.68 3fgo s GLY 702 N -0.33 0.15 0.00 4.40 0.00 -0.41 -0.85 107.32 110.29 3fgo s GLY 702 Ca 0.04 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.36 3fgo s GLY 702 CO 0.02 1.79 0.00 2.09 0.00 0.00 0.00 173.10 177.00 3fgo n ASP 703 N -1.23 0.00 -4.84 1.64 5.75 -1.26 -1.59 116.55 115.02 3fgo n ASP 703 Ca -0.04 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.52 3fgo n ASP 703 Cb 0.60 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.65 3fgo n ASP 703 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3fgo s GLY 704 N 0.00 1.75 0.27 6.12 0.00 -1.26 0.16 107.32 114.35 3fgo s GLY 704 Ca 0.00 -1.64 -0.00 0.00 0.00 0.00 0.00 44.72 43.08 3fgo s GLY 704 CO 0.00 -1.58 1.81 -2.08 0.00 0.00 0.00 173.10 171.25 3fgo h VAL 705 N 1.31 0.87 0.00 1.40 2.07 -1.82 -1.75 116.25 118.32 3fgo h VAL 705 Ca -0.45 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3fgo h VAL 705 Cb 1.25 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3fgo h VAL 705 CO 0.59 0.16 0.00 -0.46 0.02 0.00 0.00 177.57 177.88 3fgo n ASN 706 N -4.70 0.31 0.05 0.57 6.94 -1.11 -1.07 115.26 116.25 3fgo n ASN 706 Ca 0.18 0.60 0.12 0.00 -0.02 0.00 0.00 54.58 55.46 3fgo n ASN 706 Cb 0.36 -0.66 0.16 0.00 -2.36 0.00 0.00 39.78 37.28 3fgo n ASN 706 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3fgo n ASP 707 N -1.87 0.66 -0.08 0.53 8.00 -0.66 -4.44 116.55 118.70 3fgo n ASP 707 Ca 0.01 0.04 -0.07 0.00 0.71 0.00 0.00 54.79 55.49 3fgo n ASP 707 Cb 0.12 0.26 -0.00 0.00 -0.02 0.00 0.00 41.12 41.48 3fgo n ASP 707 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fgo h ALA 708 N 2.56 0.27 -0.40 2.24 0.00 -1.12 0.15 119.26 122.96 3fgo h ALA 708 Ca 0.00 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3fgo h ALA 708 Cb 0.72 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 3fgo h ALA 708 CO 0.00 -0.39 0.14 -1.35 0.00 0.00 0.00 179.25 177.65 3fgo h PRO 709 N 0.12 0.29 -0.43 0.00 0.11 -1.80 0.01 132.00 130.31 3fgo h PRO 709 Ca 0.14 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.24 3fgo h PRO 709 Cb 0.17 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 3fgo h PRO 709 CO -0.21 0.19 0.27 0.00 -0.21 0.00 0.00 178.00 178.05 3fgo h ALA 710 N 1.26 0.54 -0.83 -0.75 0.00 -1.64 -0.74 119.26 117.10 3fgo h ALA 710 Ca 0.18 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.15 3fgo h ALA 710 Cb 0.17 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 3fgo h ALA 710 CO -0.19 -0.03 0.54 -0.07 0.00 0.00 0.00 179.25 179.50 3fgo h LEU 711 N 0.56 0.75 -0.26 0.00 3.38 0.00 -0.80 115.31 118.94 3fgo h LEU 711 Ca 0.16 0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.93 3fgo h LEU 711 Cb -0.04 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3fgo h LEU 711 CO -0.05 0.47 -0.80 0.11 0.09 0.00 0.00 178.44 178.26 3fgo h LYS 712 N 0.84 0.55 0.00 1.13 1.57 -0.47 -3.31 116.57 116.89 3fgo h LYS 712 Ca 0.37 -0.48 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 3fgo h LYS 712 Cb 0.33 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3fgo h LYS 712 CO -0.14 1.11 -0.38 -0.22 -0.57 0.00 0.00 179.45 179.25 3fgo h LYS 713 N 0.36 0.00 -7.14 3.15 1.63 -0.25 -3.46 116.57 110.87 3fgo h LYS 713 Ca -0.05 0.00 -0.49 0.00 -0.85 0.00 0.00 60.65 59.26 3fgo h LYS 713 Cb 1.41 0.00 0.06 0.00 -0.60 0.00 0.00 32.23 33.10 3fgo h LYS 713 CO 0.15 0.38 0.39 0.00 -3.45 0.00 0.00 179.45 176.92 3fgo s ALA 714 N -3.19 2.75 0.38 5.00 0.00 -0.39 -4.90 121.76 121.42 3fgo s ALA 714 Ca 0.03 0.55 0.09 0.00 0.00 0.00 0.00 51.96 52.63 3fgo s ALA 714 Cb 0.08 -3.27 0.84 0.00 0.00 0.00 0.00 23.12 20.78 3fgo s ALA 714 CO 0.71 -0.67 1.95 0.93 0.00 0.00 0.00 175.76 178.67 3fgo h GLU 715 N 0.91 0.62 -3.23 0.00 3.07 -1.45 -3.40 114.58 111.11 3fgo h GLU 715 Ca -0.48 -0.04 -0.28 0.00 -0.50 0.00 0.00 59.36 58.06 3fgo h GLU 715 Cb 1.23 -0.14 -0.34 0.00 -0.84 0.00 0.00 28.75 28.66 3fgo h GLU 715 CO 0.58 0.41 -0.64 -1.50 -1.40 0.00 0.00 179.01 176.45 3fgo s ILE 716 N -5.59 -0.14 -0.18 3.13 2.07 -1.13 -4.83 121.20 114.54 3fgo s ILE 716 Ca -0.09 0.28 -0.08 0.00 -1.41 0.00 0.00 60.65 59.34 3fgo s ILE 716 Cb 0.20 -0.23 -0.04 0.00 0.13 0.00 0.00 42.46 42.51 3fgo s ILE 716 CO 0.77 0.11 0.10 -0.83 -1.91 0.00 0.00 174.94 173.18 3fgo s GLY 717 N 1.68 2.00 -0.17 1.50 0.00 -1.25 -0.85 107.32 110.23 3fgo s GLY 717 Ca -0.03 -0.71 0.01 0.00 0.00 0.00 0.00 44.72 43.99 3fgo s GLY 717 CO -0.05 0.01 -0.19 -0.42 0.00 0.00 0.00 173.10 172.45 3fgo s ILE 718 N 0.14 2.17 -0.02 0.90 1.01 0.15 -1.29 121.20 124.26 3fgo s ILE 718 Ca 0.07 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.83 3fgo s ILE 718 Cb -0.12 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 3fgo s ILE 718 CO -0.00 0.53 -0.05 0.00 0.00 0.00 0.00 174.94 175.42 3fgo s ALA 719 N 1.17 3.08 0.25 9.38 0.00 0.41 -1.28 121.76 134.78 3fgo s ALA 719 Ca 0.02 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 50.71 3fgo s ALA 719 Cb -0.14 -1.21 -0.09 0.00 0.00 0.00 0.00 23.12 21.68 3fgo s ALA 719 CO -0.09 0.61 1.14 -1.64 0.00 0.00 0.00 175.76 175.78 3fgo s MET 720 N -1.31 4.57 0.17 0.00 -1.94 -0.62 -0.52 119.30 119.65 3fgo s MET 720 Ca 0.16 1.85 -0.20 0.00 -1.71 0.00 0.00 55.69 55.80 3fgo s MET 720 Cb -0.11 -3.20 0.09 0.00 2.01 0.00 0.00 34.83 33.62 3fgo s MET 720 CO 0.07 0.09 1.63 0.78 -0.01 0.00 0.00 175.02 177.58 3fgo h GLY 721 N 4.24 0.02 -0.42 -0.03 0.00 -0.94 0.17 103.07 106.11 3fgo h GLY 721 Ca -0.46 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3fgo h GLY 721 CO 0.69 -0.20 0.00 -1.14 0.00 0.00 0.00 176.54 175.89 3fgo n SER 722 N -5.38 0.31 -3.47 0.19 3.41 -1.26 -4.85 113.62 102.57 3fgo n SER 722 Ca 0.02 -1.48 -0.17 0.00 -0.26 0.00 0.00 58.87 56.97 3fgo n SER 722 Cb 0.29 -0.15 0.11 0.00 -0.26 0.00 0.00 64.21 64.20 3fgo n SER 722 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fgo n GLY 723 N 0.19 -0.39 3.80 5.00 0.00 0.58 -5.06 105.19 109.32 3fgo n GLY 723 Ca 0.00 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 3fgo n GLY 723 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fgo s THR 724 N -2.47 3.71 0.29 2.61 -4.23 0.12 -4.92 115.64 110.76 3fgo s THR 724 Ca 0.47 0.84 -0.02 0.00 -1.18 0.00 0.00 61.69 61.80 3fgo s THR 724 Cb -0.02 -3.35 0.25 0.00 1.34 0.00 0.00 72.50 70.73 3fgo s THR 724 CO 0.32 -0.45 1.96 0.00 -0.54 0.00 0.00 174.62 175.91 3fgo h ALA 725 N 0.52 1.38 -0.30 3.99 0.00 -1.96 -1.93 119.26 120.95 3fgo h ALA 725 Ca -0.47 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.41 3fgo h ALA 725 Cb 1.23 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3fgo h ALA 725 CO 0.57 0.56 0.08 0.28 0.00 0.00 0.00 179.25 180.74 3fgo h VAL 726 N 1.13 0.88 -0.43 0.00 2.07 -1.91 0.28 116.25 118.26 3fgo h VAL 726 Ca 0.30 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.66 3fgo h VAL 726 Cb -0.11 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3fgo h VAL 726 CO -0.06 0.04 -0.09 0.00 0.02 0.00 0.00 177.57 177.47 3fgo h ALA 727 N 1.21 0.59 -0.55 1.67 0.00 -1.67 -1.63 119.26 118.89 3fgo h ALA 727 Ca 0.14 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.78 3fgo h ALA 727 Cb 0.14 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3fgo h ALA 727 CO -0.17 0.46 0.29 0.87 0.00 0.00 0.00 179.25 180.70 3fgo h LYS 728 N 0.65 0.53 0.00 0.00 1.57 -1.06 -2.24 116.57 116.02 3fgo h LYS 728 Ca 0.11 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3fgo h LYS 728 Cb 0.62 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3fgo h LYS 728 CO 0.04 0.35 0.00 1.79 -0.57 0.00 0.00 179.45 181.06 3fgo h THR 729 N 0.55 0.00 -0.01 -0.16 1.35 -0.74 -1.98 112.91 111.92 3fgo h THR 729 Ca 0.25 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 3fgo h THR 729 Cb 0.15 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3fgo h THR 729 CO -0.17 0.00 -0.15 0.00 -0.25 0.00 0.00 175.52 174.95 3fgo n ALA 730 N -1.95 2.86 -2.76 6.62 0.00 -0.63 -4.44 120.51 120.21 3fgo n ALA 730 Ca 0.03 -0.34 -0.26 0.00 0.00 0.00 0.00 53.44 52.87 3fgo n ALA 730 Cb 0.39 -1.24 -0.06 0.00 0.00 0.00 0.00 19.45 18.53 3fgo n ALA 730 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3fgo s SER 731 N -2.42 5.29 0.18 0.00 0.01 -0.75 -4.15 113.70 111.86 3fgo s SER 731 Ca 0.29 -0.22 0.17 0.00 1.31 0.00 0.00 55.95 57.50 3fgo s SER 731 Cb 0.20 -1.31 -0.02 0.00 0.21 0.00 0.00 66.02 65.10 3fgo s SER 731 CO 0.47 0.07 1.10 -0.33 0.41 0.00 0.00 173.24 174.97 3fgo h GLU 732 N 2.44 0.00 -4.05 12.44 3.07 -1.47 -3.45 114.58 123.56 3fgo h GLU 732 Ca -0.47 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.10 3fgo h GLU 732 Cb 1.20 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 28.83 3fgo h GLU 732 CO 0.62 0.29 -0.74 1.41 -1.40 0.00 0.00 179.01 179.19 3fgo s MET 733 N -3.02 0.24 -0.11 2.33 0.00 -1.08 0.11 119.30 117.76 3fgo s MET 733 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 55.69 55.60 3fgo s MET 733 Cb 0.08 -0.23 0.01 0.00 0.00 0.00 0.00 34.83 34.70 3fgo s MET 733 CO 0.78 0.06 -0.18 0.08 0.00 0.00 0.00 175.02 175.76 3fgo s VAL 734 N -0.09 1.71 -0.96 10.11 1.01 -0.67 -0.44 120.40 131.08 3fgo s VAL 734 Ca 0.01 -0.79 -0.23 0.00 0.00 0.00 0.00 61.98 60.98 3fgo s VAL 734 Cb -0.01 -1.53 0.06 0.00 0.00 0.00 0.00 36.38 34.90 3fgo s VAL 734 CO -0.00 0.48 1.35 -0.76 0.00 0.00 0.00 175.10 176.17 3fgo s LEU 735 N 0.78 3.81 0.55 3.92 1.43 0.32 -1.33 118.68 128.16 3fgo s LEU 735 Ca -0.10 -1.44 0.22 0.00 -1.03 0.00 0.00 54.13 51.78 3fgo s LEU 735 Cb -0.16 -2.53 1.51 0.00 0.03 0.00 0.00 46.19 45.04 3fgo s LEU 735 CO 0.01 -1.45 2.19 0.00 0.23 0.00 0.00 176.35 177.32 3fgo h ALA 736 N 9.62 1.82 -0.40 4.21 0.00 -1.39 0.19 119.26 133.31 3fgo h ALA 736 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3fgo h ALA 736 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3fgo h ALA 736 CO 1.34 -0.03 0.00 -0.40 0.00 0.00 0.00 179.25 180.16 3fgo n ASP 737 N -4.23 3.72 -0.47 0.00 3.85 -1.26 -4.51 116.55 113.65 3fgo n ASP 737 Ca -0.02 -2.44 -0.06 0.00 -0.71 0.00 0.00 54.79 51.55 3fgo n ASP 737 Cb 0.11 -0.42 -0.03 0.00 -1.35 0.00 0.00 41.12 39.43 3fgo n ASP 737 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3fgo n ASP 738 N 0.35 -5.20 -4.56 -1.12 8.00 -0.23 -4.92 116.55 108.88 3fgo n ASP 738 Ca 0.18 0.15 -0.40 0.00 0.71 0.00 0.00 54.79 55.43 3fgo n ASP 738 Cb 0.70 -3.24 -0.03 0.00 -0.02 0.00 0.00 41.12 38.53 3fgo n ASP 738 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3fgo s ASN 739 N -2.31 5.85 0.50 -2.24 3.84 -1.26 -4.87 114.94 114.45 3fgo s ASN 739 Ca 0.00 0.00 0.18 0.00 0.21 0.00 0.00 52.86 53.25 3fgo s ASN 739 Cb 0.00 -2.55 1.23 0.00 -0.55 0.00 0.00 41.25 39.38 3fgo s ASN 739 CO 0.00 -1.99 2.06 0.15 -2.79 0.00 0.00 177.10 174.53 3fgo h PHE 740 N 11.97 0.13 -0.95 0.43 3.57 -1.91 -1.28 116.94 128.90 3fgo h PHE 740 Ca -0.27 0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.49 3fgo h PHE 740 Cb 1.10 -0.04 -0.14 0.00 2.79 0.00 0.00 35.95 39.66 3fgo h PHE 740 CO 1.08 0.07 0.45 0.77 -2.23 0.00 0.00 178.31 178.44 3fgo h SER 741 N 0.13 0.37 -0.34 0.41 0.02 -1.89 -2.07 113.55 110.16 3fgo h SER 741 Ca 0.15 0.17 0.10 0.00 -0.84 0.00 0.00 61.79 61.37 3fgo h SER 741 Cb 0.42 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3fgo h SER 741 CO -0.02 -0.07 0.29 0.74 -1.14 0.00 0.00 176.83 176.63 3fgo h THR 742 N 0.36 0.63 -0.64 -2.27 2.02 -1.60 0.27 112.91 111.68 3fgo h THR 742 Ca 0.63 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.82 3fgo h THR 742 Cb 1.31 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 3fgo h THR 742 CO -0.58 0.00 0.42 0.40 0.37 0.00 0.00 175.52 176.13 3fgo h ILE 743 N 0.00 1.14 -0.42 3.11 2.04 -1.56 0.67 117.51 122.48 3fgo h ILE 743 Ca 0.16 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 3fgo h ILE 743 Cb 0.74 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3fgo h ILE 743 CO -0.00 0.15 0.13 0.58 0.00 0.00 0.00 178.15 179.01 3fgo h VAL 744 N 0.84 1.22 0.00 1.67 2.07 -0.62 -0.17 116.25 121.26 3fgo h VAL 744 Ca 0.24 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 3fgo h VAL 744 Cb -0.06 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3fgo h VAL 744 CO -0.07 0.26 -0.13 0.00 0.02 0.00 0.00 177.57 177.65 3fgo h ALA 745 N 0.98 1.74 -0.00 1.67 0.00 -1.21 -1.52 119.26 120.91 3fgo h ALA 745 Ca 0.14 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 3fgo h ALA 745 Cb 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3fgo h ALA 745 CO -0.00 0.17 -0.83 0.00 0.00 0.00 0.00 179.25 178.58 3fgo h ALA 746 N 1.87 0.60 -0.29 0.00 0.00 0.05 -0.19 119.26 121.30 3fgo h ALA 746 Ca -0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 3fgo h ALA 746 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3fgo h ALA 746 CO 0.02 0.92 0.13 0.28 0.00 0.00 0.00 179.25 180.59 3fgo h VAL 747 N 0.08 1.17 -0.45 0.00 2.07 -0.20 0.48 116.25 119.40 3fgo h VAL 747 Ca -0.03 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 3fgo h VAL 747 Cb 1.44 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 3fgo h VAL 747 CO 0.12 0.17 0.09 -0.08 0.02 0.00 0.00 177.57 177.90 3fgo h GLU 748 N 0.32 0.72 -0.81 1.57 4.81 -1.16 -1.17 114.58 118.87 3fgo h GLU 748 Ca 0.10 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3fgo h GLU 748 Cb 0.15 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 3fgo h GLU 748 CO -0.01 0.73 0.53 1.49 -0.73 0.00 0.00 179.01 181.03 3fgo h GLU 749 N 0.59 1.04 -0.15 1.92 4.57 -0.86 0.48 114.58 122.18 3fgo h GLU 749 Ca 0.14 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.23 3fgo h GLU 749 Cb 0.34 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 3fgo h GLU 749 CO 0.00 0.69 -0.02 0.78 -1.18 0.00 0.00 179.01 179.29 3fgo h GLY 750 N 1.08 0.30 0.40 1.92 0.00 -0.47 -0.15 103.07 106.14 3fgo h GLY 750 Ca 0.30 -0.24 0.10 0.00 0.00 0.00 0.00 47.33 47.50 3fgo h GLY 750 CO -0.08 0.22 0.34 3.21 0.00 0.00 0.00 176.54 180.23 3fgo h ARG 751 N -0.01 0.54 -0.77 4.80 3.08 -1.04 0.60 114.38 121.58 3fgo h ARG 751 Ca 0.04 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3fgo h ARG 751 Cb 0.42 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 3fgo h ARG 751 CO 0.01 0.36 0.46 0.00 -1.07 0.00 0.00 179.97 179.73 3fgo h ALA 752 N 1.45 0.98 -0.22 0.04 0.00 -0.46 -1.30 119.26 119.75 3fgo h ALA 752 Ca 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3fgo h ALA 752 Cb 0.43 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3fgo h ALA 752 CO -0.30 0.46 0.12 0.82 0.00 0.00 0.00 179.25 180.35 3fgo h ILE 753 N 1.06 1.12 -0.45 0.00 1.08 -0.45 -2.34 117.51 117.53 3fgo h ILE 753 Ca 0.28 -0.33 0.07 0.00 -0.39 0.00 0.00 64.86 64.49 3fgo h ILE 753 Cb -0.03 0.93 -0.06 0.00 -3.07 0.00 0.00 36.82 34.59 3fgo h ILE 753 CO -0.05 0.12 0.09 0.22 -0.69 0.00 0.00 178.15 177.83 3fgo h TYR 754 N 0.25 0.14 -0.50 1.37 5.03 -0.46 0.55 116.97 123.35 3fgo h TYR 754 Ca 0.08 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.43 3fgo h TYR 754 Cb 0.08 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.33 3fgo h TYR 754 CO -0.03 0.00 0.31 -0.91 -1.32 0.00 0.00 178.16 176.21 3fgo h ASN 755 N 0.22 0.51 -0.22 -2.11 2.35 -1.04 -1.46 115.58 113.83 3fgo h ASN 755 Ca 0.22 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.94 3fgo h ASN 755 Cb 0.28 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3fgo h ASN 755 CO -0.29 0.36 0.03 0.78 -1.65 0.00 0.00 177.43 176.66 3fgo h ASN 756 N 0.62 0.36 -0.11 5.81 2.35 -1.07 -2.57 115.58 120.97 3fgo h ASN 756 Ca 0.20 -0.27 0.04 0.00 -0.55 0.00 0.00 56.30 55.71 3fgo h ASN 756 Cb -0.01 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.22 3fgo h ASN 756 CO -0.08 0.54 -0.13 0.24 -1.65 0.00 0.00 177.43 176.36 3fgo h MET 757 N 0.17 -0.15 0.00 0.81 2.86 -0.62 -0.39 114.93 117.61 3fgo h MET 757 Ca 0.07 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 3fgo h MET 757 Cb 0.34 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 3fgo h MET 757 CO 0.01 -0.10 -0.14 1.57 1.06 0.00 0.00 176.91 179.30 3fgo h LYS 758 N -0.16 0.00 0.00 1.72 2.10 -1.31 0.77 116.57 119.70 3fgo h LYS 758 Ca 0.08 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.57 3fgo h LYS 758 Cb 0.28 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.58 3fgo h LYS 758 CO -0.21 0.14 -0.81 -0.56 -2.00 0.00 0.00 179.45 176.02 3fgo h GLN 759 N 0.00 0.00 0.00 0.07 3.07 -0.97 -2.57 115.11 114.72 3fgo h GLN 759 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3fgo h GLN 759 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.96 3fgo h GLN 759 CO 0.02 0.72 -1.19 1.97 0.09 0.00 0.00 178.83 180.45 3fgo n PHE 760 N -3.26 0.14 0.08 0.06 1.16 -0.21 -2.40 117.46 113.02 3fgo n PHE 760 Ca 0.00 0.04 -0.10 0.00 -1.87 0.00 0.00 57.45 55.52 3fgo n PHE 760 Cb 0.84 -0.32 -0.01 0.00 -1.61 0.00 0.00 39.48 38.39 3fgo n PHE 760 CO 0.00 0.00 0.00 0.82 -1.87 0.00 0.00 176.76 175.71 3fgo h ILE 761 N 0.00 1.46 0.44 1.97 2.04 0.49 -2.10 117.51 121.80 3fgo h ILE 761 Ca 0.00 -2.50 -0.02 0.00 1.00 0.00 0.00 64.86 63.34 3fgo h ILE 761 Cb 0.71 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 3fgo h ILE 761 CO 0.00 0.73 -0.21 0.03 0.00 0.00 0.00 178.15 178.71 3fgo h ARG 762 N 0.16 -0.56 -1.11 2.37 3.08 -1.57 -0.49 114.38 116.25 3fgo h ARG 762 Ca -0.05 0.04 0.31 0.00 0.07 0.00 0.00 59.98 60.35 3fgo h ARG 762 Cb 1.48 0.13 -0.09 0.00 0.08 0.00 0.00 29.97 31.57 3fgo h ARG 762 CO 0.14 -0.27 0.74 -0.92 -1.07 0.00 0.00 179.97 178.59 3fgo h TYR 763 N -1.01 0.48 0.15 3.04 3.20 -1.52 0.31 116.97 121.62 3fgo h TYR 763 Ca -0.06 0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.63 3fgo h TYR 763 Cb 0.56 -0.14 0.02 0.00 1.54 0.00 0.00 36.73 38.71 3fgo h TYR 763 CO 0.02 0.01 -0.88 -0.07 -1.64 0.00 0.00 178.16 175.60 3fgo h LEU 764 N 0.26 0.51 -1.27 2.82 3.38 -1.31 -3.11 115.31 116.59 3fgo h LEU 764 Ca 0.62 -0.95 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 3fgo h LEU 764 Cb 1.83 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 3fgo h LEU 764 CO -0.24 1.42 -0.30 -0.29 0.09 0.00 0.00 178.44 179.12 3fgo h ILE 765 N -0.31 0.87 0.20 1.22 6.09 0.23 -1.83 117.51 123.98 3fgo h ILE 765 Ca -0.15 -1.19 0.01 0.00 -1.37 0.00 0.00 64.86 62.16 3fgo h ILE 765 Cb 1.69 1.72 -0.03 0.00 0.47 0.00 0.00 36.82 40.66 3fgo h ILE 765 CO 0.17 0.29 -0.33 -1.28 -3.07 0.00 0.00 178.15 173.93 3fgo h SER 766 N 0.00 -0.93 -0.22 2.19 0.87 -0.52 -2.26 113.55 112.68 3fgo h SER 766 Ca -0.00 0.10 0.06 0.00 -1.23 0.00 0.00 61.79 60.71 3fgo h SER 766 Cb 0.69 0.34 -0.07 0.00 -0.44 0.00 0.00 62.40 62.92 3fgo h SER 766 CO 0.04 -0.44 -0.23 -1.28 -0.53 0.00 0.00 176.83 174.39 3fgo h SER 767 N -0.61 -0.74 -0.03 6.23 0.87 -1.33 -2.15 113.55 115.79 3fgo h SER 767 Ca 0.01 0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.71 3fgo h SER 767 Cb 0.60 0.35 -0.00 0.00 -0.44 0.00 0.00 62.40 62.91 3fgo h SER 767 CO -0.14 -0.27 0.09 0.78 -0.53 0.00 0.00 176.83 176.76 3fgo h ASN 768 N -0.25 0.00 0.22 6.23 2.35 -1.18 -2.19 115.58 120.76 3fgo h ASN 768 Ca 0.13 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3fgo h ASN 768 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 3fgo h ASN 768 CO -0.36 0.00 -0.10 0.58 -1.65 0.00 0.00 177.43 175.89 3fgo h VAL 769 N 0.00 0.41 -0.92 2.81 2.07 -0.79 -2.66 116.25 117.17 3fgo h VAL 769 Ca 0.01 -0.96 0.20 0.00 0.82 0.00 0.00 66.70 66.77 3fgo h VAL 769 Cb 0.20 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.61 3fgo h VAL 769 CO -0.00 0.11 0.60 1.23 0.02 0.00 0.00 177.57 179.54 3fgo h GLY 770 N -1.00 1.03 0.99 2.17 0.00 -1.40 0.24 103.07 105.09 3fgo h GLY 770 Ca -0.03 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 3fgo h GLY 770 CO 0.05 -0.01 -0.01 0.83 0.00 0.00 0.00 176.54 177.39 3fgo h GLU 771 N 0.48 0.80 -0.43 4.80 5.08 -1.43 0.89 114.58 124.76 3fgo h GLU 771 Ca 0.49 -0.26 -0.13 0.00 -1.00 0.00 0.00 59.36 58.46 3fgo h GLU 771 Cb 1.12 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3fgo h GLU 771 CO -0.21 0.87 -0.23 0.28 -1.00 0.00 0.00 179.01 178.72 3fgo h VAL 772 N 0.65 1.27 -0.39 3.13 2.07 -0.86 -1.72 116.25 120.40 3fgo h VAL 772 Ca 0.13 -1.38 0.01 0.00 0.82 0.00 0.00 66.70 66.28 3fgo h VAL 772 Cb 0.52 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3fgo h VAL 772 CO 0.03 0.47 0.25 0.58 0.02 0.00 0.00 177.57 178.92 3fgo h VAL 773 N 0.76 1.09 -0.90 2.57 2.07 -0.27 0.55 116.25 122.12 3fgo h VAL 773 Ca 0.10 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3fgo h VAL 773 Cb 0.78 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3fgo h VAL 773 CO 0.06 0.09 0.51 0.00 0.02 0.00 0.00 177.57 178.26 3fgo h ILE 775 N 1.25 1.47 0.10 0.00 1.08 -1.03 0.20 117.51 120.58 3fgo h ILE 775 Ca 0.32 -2.41 -0.26 0.00 -0.39 0.00 0.00 64.86 62.12 3fgo h ILE 775 Cb -0.00 2.31 -0.00 0.00 -3.07 0.00 0.00 36.82 36.06 3fgo h ILE 775 CO -0.05 0.68 -1.18 0.15 -0.69 0.00 0.00 178.15 177.06 3fgo h PHE 776 N 0.00 0.40 0.10 1.37 3.57 -0.31 -1.55 116.94 120.52 3fgo h PHE 776 Ca -0.01 -0.29 -0.00 0.00 3.53 0.00 0.00 57.97 61.20 3fgo h PHE 776 Cb 1.26 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.98 3fgo h PHE 776 CO 0.00 1.22 -0.05 -0.07 -2.23 0.00 0.00 178.31 177.18 3fgo h LEU 777 N 0.07 -0.11 -1.83 0.59 3.38 -0.16 0.06 115.31 117.29 3fgo h LEU 777 Ca -0.11 -0.37 0.11 0.00 0.09 0.00 0.00 57.88 57.60 3fgo h LEU 777 Cb 1.91 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.66 3fgo h LEU 777 CO 0.19 0.33 0.34 0.00 0.09 0.00 0.00 178.44 179.39 3fgo h THR 778 N -0.58 0.84 0.00 0.22 1.03 -1.01 -2.15 112.91 111.26 3fgo h THR 778 Ca -0.01 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 66.32 3fgo h THR 778 Cb 0.47 0.64 0.00 0.00 -1.07 0.00 0.00 68.15 68.19 3fgo h THR 778 CO 0.02 0.03 0.00 0.00 -0.01 0.00 0.00 175.52 175.57 3fgo n ALA 779 N -2.57 -0.03 -0.38 0.00 0.00 -0.58 -2.25 120.51 114.70 3fgo n ALA 779 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.49 3fgo n ALA 779 Cb 0.43 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.89 3fgo n ALA 779 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fgo n ALA 780 N -1.53 -0.23 -0.25 0.00 0.00 -0.00 -0.73 120.51 117.76 3fgo n ALA 780 Ca 0.00 0.93 -0.06 0.00 0.00 0.00 0.00 53.44 54.31 3fgo n ALA 780 Cb 0.00 -0.36 0.05 0.00 0.00 0.00 0.00 19.45 19.14 3fgo n ALA 780 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3fgo h LEU 781 N 0.00 0.91 0.00 0.00 4.07 -1.59 -3.47 115.31 115.22 3fgo h LEU 781 Ca 0.29 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.12 3fgo h LEU 781 Cb 0.53 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.04 3fgo h LEU 781 CO -0.95 0.79 0.00 0.61 -1.08 0.00 0.00 178.44 177.81 3fgo n GLY 782 N -0.97 1.90 3.93 0.83 0.00 0.09 -4.91 105.19 106.06 3fgo n GLY 782 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 3fgo n GLY 782 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fgo s LEU 783 N 0.00 3.66 0.67 0.99 1.43 -0.95 -4.11 118.68 120.36 3fgo s LEU 783 Ca 0.00 0.62 -0.16 0.00 -1.03 0.00 0.00 54.13 53.56 3fgo s LEU 783 Cb 0.00 -3.51 0.01 0.00 0.03 0.00 0.00 46.19 42.71 3fgo s LEU 783 CO 0.00 -0.62 1.18 -2.84 0.23 0.00 0.00 176.35 174.30 3fgo s PRO 784 N -4.64 2.53 0.18 1.29 0.02 -1.26 -4.67 135.00 128.45 3fgo s PRO 784 Ca 0.47 1.69 -0.33 0.00 0.02 0.00 0.00 61.00 62.85 3fgo s PRO 784 Cb -0.10 -1.89 -0.14 0.00 0.02 0.00 0.00 34.50 32.39 3fgo s PRO 784 CO 0.41 -1.52 1.56 0.39 -0.33 0.00 0.00 177.00 177.51 3fgo n GLU 785 N -2.32 2.18 0.08 5.54 1.02 -1.26 -4.88 120.64 121.00 3fgo n GLU 785 Ca 0.13 0.78 -0.13 0.00 -0.02 0.00 0.00 57.16 57.92 3fgo n GLU 785 Cb 0.50 -2.54 -0.13 0.00 -0.02 0.00 0.00 31.44 29.25 3fgo n GLU 785 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fgo h ALA 786 N 5.63 0.21 -2.83 0.62 0.00 -1.90 -3.44 119.26 117.54 3fgo h ALA 786 Ca -0.45 -0.93 -0.30 0.00 0.00 0.00 0.00 54.91 53.23 3fgo h ALA 786 Cb 1.25 -0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.85 3fgo h ALA 786 CO 0.87 1.09 -0.73 -0.51 0.00 0.00 0.00 179.25 179.97 3fgo s LEU 787 N -6.97 2.37 0.08 0.00 1.43 -1.26 -4.32 118.68 110.01 3fgo s LEU 787 Ca -0.03 -0.76 0.02 0.00 -1.03 0.00 0.00 54.13 52.34 3fgo s LEU 787 Cb 0.08 -0.26 -0.03 0.00 0.03 0.00 0.00 46.19 46.01 3fgo s LEU 787 CO 0.86 -0.26 -0.08 0.27 0.23 0.00 0.00 176.35 177.37 3fgo s ILE 788 N -2.25 0.72 0.20 -0.59 -4.36 -1.26 -5.02 121.20 108.63 3fgo s ILE 788 Ca 0.02 -1.56 -0.23 0.00 -0.26 0.00 0.00 60.65 58.62 3fgo s ILE 788 Cb -0.04 -1.23 0.10 0.00 1.25 0.00 0.00 42.46 42.54 3fgo s ILE 788 CO -0.00 -0.61 1.55 -0.65 0.24 0.00 0.00 174.94 175.47 3fgo h PRO 789 N 3.66 -0.05 -1.58 0.37 0.11 -1.91 0.21 132.00 132.81 3fgo h PRO 789 Ca -0.36 0.00 0.47 0.00 0.11 0.00 0.00 66.00 66.22 3fgo h PRO 789 Cb 1.18 0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.22 3fgo h PRO 789 CO 0.53 -0.03 1.10 0.28 -0.21 0.00 0.00 178.00 179.67 3fgo h VAL 790 N -0.05 0.15 0.10 3.15 2.07 -1.95 0.64 116.25 120.36 3fgo h VAL 790 Ca 0.25 -0.01 -0.35 0.00 0.82 0.00 0.00 66.70 67.41 3fgo h VAL 790 Cb 0.53 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3fgo h VAL 790 CO -0.91 0.01 -1.92 0.00 0.02 0.00 0.00 177.57 174.77 3fgo n GLN 791 N -4.24 0.72 -0.13 1.57 6.02 0.69 -3.56 117.38 118.44 3fgo n GLN 791 Ca 0.38 0.30 -0.06 0.00 -0.01 0.00 0.00 57.00 57.61 3fgo n GLN 791 Cb 1.64 -1.70 0.02 0.00 1.02 0.00 0.00 30.24 31.22 3fgo n GLN 791 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3fgo h LEU 792 N -0.12 0.37 -1.07 1.08 3.38 -0.07 -0.88 115.31 117.99 3fgo h LEU 792 Ca -0.43 0.01 0.09 0.00 0.09 0.00 0.00 57.88 57.64 3fgo h LEU 792 Cb 1.91 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 42.52 3fgo h LEU 792 CO 0.02 0.26 0.62 -0.07 0.09 0.00 0.00 178.44 179.36 3fgo h LEU 793 N 0.47 0.94 0.19 1.67 3.38 -0.04 0.16 115.31 122.07 3fgo h LEU 793 Ca 0.17 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3fgo h LEU 793 Cb 0.04 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3fgo h LEU 793 CO -0.10 0.56 -0.09 -0.25 0.09 0.00 0.00 178.44 178.65 3fgo h TRP 794 N 1.04 -0.23 -0.53 1.13 2.91 -1.34 -0.72 115.95 118.21 3fgo h TRP 794 Ca 0.44 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.45 3fgo h TRP 794 Cb 0.32 0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 29.02 3fgo h TRP 794 CO -0.00 -0.04 0.32 0.28 -1.03 0.00 0.00 178.44 177.97 3fgo h VAL 795 N -0.39 1.16 0.00 2.65 2.07 -0.30 0.19 116.25 121.63 3fgo h VAL 795 Ca -0.03 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.06 3fgo h VAL 795 Cb 0.30 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3fgo h VAL 795 CO 0.04 0.16 -0.32 0.78 0.02 0.00 0.00 177.57 178.26 3fgo h ASN 796 N 0.71 0.00 0.10 0.57 2.35 -0.66 0.32 115.58 118.96 3fgo h ASN 796 Ca 0.19 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.57 3fgo h ASN 796 Cb -0.01 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 3fgo h ASN 796 CO -0.04 0.32 -2.14 -0.11 -1.65 0.00 0.00 177.43 173.82 3fgo n LEU 797 N -3.27 2.66 0.04 1.61 7.94 -0.28 -4.25 117.00 121.45 3fgo n LEU 797 Ca 0.02 0.11 -0.00 0.00 -1.11 0.00 0.00 56.01 55.02 3fgo n LEU 797 Cb 0.59 -1.01 -0.00 0.00 0.53 0.00 0.00 43.42 43.53 3fgo n LEU 797 CO 0.37 0.86 -0.09 0.52 -1.11 0.00 0.00 177.39 177.94 3fgo n VAL 798 N -3.40 1.04 0.15 1.96 0.31 0.64 -3.95 118.33 115.09 3fgo n VAL 798 Ca -0.36 0.34 0.05 0.00 -0.01 0.00 0.00 64.34 64.36 3fgo n VAL 798 Cb 1.03 -1.58 0.50 0.00 -0.91 0.00 0.00 33.84 32.88 3fgo n VAL 798 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3fgo h THR 799 N -0.01 1.09 0.01 2.52 2.02 -1.23 -2.35 112.91 114.96 3fgo h THR 799 Ca -0.00 -0.36 -0.36 0.00 0.77 0.00 0.00 66.41 66.46 3fgo h THR 799 Cb 0.17 1.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 3fgo h THR 799 CO -0.00 0.12 -2.24 0.47 0.37 0.00 0.00 175.52 174.24 3fgo n ASP 800 N -4.42 0.76 -0.18 4.18 8.00 0.11 -4.39 116.55 120.61 3fgo n ASP 800 Ca -0.01 0.07 -0.01 0.00 0.71 0.00 0.00 54.79 55.56 3fgo n ASP 800 Cb 0.16 0.34 0.08 0.00 -0.02 0.00 0.00 41.12 41.68 3fgo n ASP 800 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3fgo h GLY 801 N 3.24 0.62 0.85 0.44 0.00 -1.62 0.57 103.07 107.18 3fgo h GLY 801 Ca -0.49 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 3fgo h GLY 801 CO 0.02 -0.15 -0.08 1.41 0.00 0.00 0.00 176.54 177.75 3fgo h LEU 802 N 0.16 -0.18 -0.87 3.11 4.07 -1.65 0.04 115.31 119.99 3fgo h LEU 802 Ca 0.29 -0.12 -0.08 0.00 0.08 0.00 0.00 57.88 58.05 3fgo h LEU 802 Cb 0.44 0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.21 3fgo h LEU 802 CO -0.44 0.01 -0.05 -0.65 -1.08 0.00 0.00 178.44 176.23 3fgo h PRO 803 N -0.37 0.79 -0.42 1.13 0.11 -1.73 -1.11 132.00 130.40 3fgo h PRO 803 Ca -0.02 -0.23 0.06 0.00 0.11 0.00 0.00 66.00 65.92 3fgo h PRO 803 Cb 0.29 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.27 3fgo h PRO 803 CO 0.04 0.83 0.11 0.00 -0.21 0.00 0.00 178.00 178.76 3fgo h ALA 804 N 1.22 0.47 -0.87 -0.75 0.00 -0.74 0.18 119.26 118.77 3fgo h ALA 804 Ca 0.13 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3fgo h ALA 804 Cb 0.51 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3fgo h ALA 804 CO 0.03 -0.29 0.50 1.15 0.00 0.00 0.00 179.25 180.64 3fgo h THR 805 N 0.25 1.25 0.00 0.00 2.02 -0.64 -1.71 112.91 114.08 3fgo h THR 805 Ca 0.20 -0.57 -0.06 0.00 0.77 0.00 0.00 66.41 66.75 3fgo h THR 805 Cb 0.22 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 3fgo h THR 805 CO -0.24 0.27 -0.26 0.00 0.37 0.00 0.00 175.52 175.66 3fgo h ALA 806 N 1.34 0.99 -0.33 6.16 0.00 -0.55 -2.26 119.26 124.62 3fgo h ALA 806 Ca 0.31 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3fgo h ALA 806 Cb -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3fgo h ALA 806 CO -0.05 0.33 -0.18 -0.07 0.00 0.00 0.00 179.25 179.28 3fgo h LEU 807 N 0.00 0.60 0.00 0.00 3.38 0.26 -2.24 115.31 117.31 3fgo h LEU 807 Ca -0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3fgo h LEU 807 Cb 0.82 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3fgo h LEU 807 CO 0.03 0.79 0.00 0.61 0.09 0.00 0.00 178.44 179.96 3fgo n GLY 808 N -0.44 -0.38 0.52 0.83 0.00 -0.85 -2.01 105.19 102.87 3fgo n GLY 808 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.06 3fgo n GLY 808 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fgo n PHE 809 N -0.56 0.35 -2.29 1.61 3.01 -0.84 -4.97 117.46 113.77 3fgo n PHE 809 Ca 0.01 -0.46 -0.42 0.00 1.01 0.00 0.00 57.45 57.60 3fgo n PHE 809 Cb 0.01 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.42 3fgo n PHE 809 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3fgo s ASN 810 N -0.98 6.05 0.30 4.37 -0.87 -0.85 -4.94 114.94 118.02 3fgo s ASN 810 Ca 0.19 0.56 -0.27 0.00 -1.57 0.00 0.00 52.86 51.76 3fgo s ASN 810 Cb 0.10 -2.54 -0.14 0.00 -0.02 0.00 0.00 41.25 38.65 3fgo s ASN 810 CO 0.13 -1.71 0.88 -2.65 -2.57 0.00 0.00 177.10 171.18 3fgo n PRO 811 N 8.54 1.05 -0.69 -0.60 -0.02 -1.26 -4.86 135.00 137.17 3fgo n PRO 811 Ca 0.16 0.37 -0.30 0.00 -2.02 0.00 0.00 63.50 61.70 3fgo n PRO 811 Cb 0.49 -1.68 0.18 0.00 -0.02 0.00 0.00 33.50 32.46 3fgo n PRO 811 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3fgo s PRO 812 N -1.50 0.69 0.65 0.52 0.04 -1.26 -4.96 135.00 129.17 3fgo s PRO 812 Ca 0.60 1.39 -0.18 0.00 0.04 0.00 0.00 61.00 62.86 3fgo s PRO 812 Cb -0.72 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 3fgo s PRO 812 CO 0.59 -2.81 1.27 -0.51 0.04 0.00 0.00 177.00 175.59 3fgo s ASP 813 N -2.68 4.65 0.40 6.66 -0.00 -1.26 -4.92 116.67 119.52 3fgo s ASP 813 Ca 0.67 2.56 0.22 0.00 -0.00 0.00 0.00 52.55 56.00 3fgo s ASP 813 Cb -0.23 -2.61 0.53 0.00 -0.00 0.00 0.00 42.92 40.61 3fgo s ASP 813 CO 0.59 -1.97 1.66 -0.07 -0.00 0.00 0.00 175.17 175.38 3fgo h LEU 814 N 0.52 0.00 -2.57 1.23 4.07 -2.04 -3.12 115.31 113.39 3fgo h LEU 814 Ca -0.51 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.45 3fgo h LEU 814 Cb 1.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.07 3fgo h LEU 814 CO 0.53 0.23 0.00 -0.90 -1.08 0.00 0.00 178.44 177.22 3fgo n ASP 815 N -3.23 3.69 -0.33 -0.43 5.75 -1.26 -4.63 116.55 116.11 3fgo n ASP 815 Ca 0.02 -1.99 0.24 0.00 -0.01 0.00 0.00 54.79 53.05 3fgo n ASP 815 Cb 0.54 -0.37 0.45 0.00 -1.03 0.00 0.00 41.12 40.71 3fgo n ASP 815 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 3fgo h ILE 816 N 4.23 0.04 -0.48 2.12 6.09 -1.93 0.23 117.51 127.81 3fgo h ILE 816 Ca 0.00 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.48 3fgo h ILE 816 Cb 0.97 0.00 0.00 0.00 0.47 0.00 0.00 36.82 38.27 3fgo h ILE 816 CO 0.00 0.01 0.00 0.23 -3.07 0.00 0.00 178.15 175.32 3fgo n MET 817 N -5.34 3.08 -0.00 2.19 2.81 -1.26 -3.74 117.12 114.85 3fgo n MET 817 Ca 0.31 -2.13 0.01 0.00 -1.81 0.00 0.00 57.70 54.07 3fgo n MET 817 Cb 1.04 -1.75 0.01 0.00 -0.71 0.00 0.00 33.22 31.80 3fgo n MET 817 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3fgo n ASP 818 N 0.76 1.22 -4.88 7.83 8.00 0.80 -3.53 116.55 126.76 3fgo n ASP 818 Ca 0.19 -1.17 -0.32 0.00 0.71 0.00 0.00 54.79 54.20 3fgo n ASP 818 Cb 0.71 -0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.75 3fgo n ASP 818 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3fgo s ARG 819 N -0.21 3.80 1.12 -1.24 1.81 -1.20 -4.87 118.95 118.15 3fgo s ARG 819 Ca 0.01 0.28 -0.15 0.00 -1.72 0.00 0.00 55.73 54.15 3fgo s ARG 819 Cb 0.01 -2.63 0.25 0.00 -0.45 0.00 0.00 34.95 32.13 3fgo s ARG 819 CO 0.01 0.29 1.07 -1.25 -0.68 0.00 0.00 175.30 174.74 3fgo s PRO 820 N -2.90 -0.55 0.43 3.54 0.04 -1.26 -4.27 135.00 130.03 3fgo s PRO 820 Ca 0.47 0.42 -0.24 0.00 0.04 0.00 0.00 61.00 61.70 3fgo s PRO 820 Cb -0.11 -1.63 -0.08 0.00 0.04 0.00 0.00 34.50 32.72 3fgo s PRO 820 CO 0.22 -3.37 1.15 -2.14 0.04 0.00 0.00 177.00 172.90 3fgo s PRO 821 N -4.93 3.91 0.60 0.56 0.02 -1.25 -4.94 135.00 128.97 3fgo s PRO 821 Ca 0.67 1.76 -0.18 0.00 0.02 0.00 0.00 61.00 63.27 3fgo s PRO 821 Cb -0.18 -2.51 -0.05 0.00 0.02 0.00 0.00 34.50 31.77 3fgo s PRO 821 CO 0.59 -0.42 0.89 2.89 -0.33 0.00 0.00 177.00 180.62 3fgo n ARG 822 N -0.25 0.80 -2.29 5.54 1.85 -1.26 -4.92 116.66 116.14 3fgo n ARG 822 Ca 0.06 0.32 -0.38 0.00 -1.00 0.00 0.00 57.85 56.85 3fgo n ARG 822 Cb 0.48 -2.09 -0.02 0.00 -1.05 0.00 0.00 32.46 29.78 3fgo n ARG 822 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3fgo s SER 823 N -1.26 6.37 0.40 2.89 0.15 -1.26 -4.91 113.70 116.07 3fgo s SER 823 Ca 0.75 2.31 0.08 0.00 0.70 0.00 0.00 55.95 59.79 3fgo s SER 823 Cb -0.42 -2.61 0.82 0.00 -1.71 0.00 0.00 66.02 62.10 3fgo s SER 823 CO 0.48 -0.78 1.98 -0.65 1.20 0.00 0.00 173.24 175.47 3fgo h PRO 824 N 2.35 0.39 0.35 5.44 0.11 -1.91 -3.16 132.00 135.56 3fgo h PRO 824 Ca -0.49 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 3fgo h PRO 824 Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3fgo h PRO 824 CO 0.61 0.38 -0.17 0.87 -0.21 0.00 0.00 178.00 179.48 3fgo h LYS 825 N 0.39 -0.45 0.00 1.05 1.79 -1.91 -3.47 116.57 113.97 3fgo h LYS 825 Ca 0.09 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 3fgo h LYS 825 Cb 0.17 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 3fgo h LYS 825 CO -0.00 -0.30 0.00 -1.91 -1.08 0.00 0.00 179.45 176.16 3fgo n GLU 826 N -3.79 0.00 -0.92 3.15 2.13 -1.20 -4.89 120.64 115.12 3fgo n GLU 826 Ca -0.06 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.46 3fgo n GLU 826 Cb 0.18 0.00 0.16 0.00 0.27 0.00 0.00 31.44 32.06 3fgo n GLU 826 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3fgo s PRO 827 N 0.00 0.90 0.00 5.31 0.02 -1.26 -4.95 135.00 135.01 3fgo s PRO 827 Ca 0.00 1.11 0.27 0.00 0.02 0.00 0.00 61.00 62.40 3fgo s PRO 827 Cb 0.00 -1.74 0.83 0.00 0.02 0.00 0.00 34.50 33.61 3fgo s PRO 827 CO 0.00 -2.57 1.64 1.28 -0.33 0.00 0.00 177.00 177.01 3fgo n LEU 828 N -4.15 0.39 -3.67 -5.54 4.77 -1.26 -4.86 117.00 102.68 3fgo n LEU 828 Ca 0.08 0.13 -0.13 0.00 -0.03 0.00 0.00 56.01 56.06 3fgo n LEU 828 Cb 0.54 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 41.24 3fgo n LEU 828 CO 0.54 0.09 0.30 0.27 -1.33 0.00 0.00 177.39 177.25 3fgo s ILE 829 N -2.89 -0.00 0.53 -0.08 -5.25 -1.26 -5.02 121.20 107.22 3fgo s ILE 829 Ca 0.15 0.00 0.05 0.00 -0.99 0.00 0.00 60.65 59.87 3fgo s ILE 829 Cb 0.18 -0.85 0.03 0.00 2.95 0.00 0.00 42.46 44.77 3fgo s ILE 829 CO 0.61 0.00 0.35 -0.55 -1.79 0.00 0.00 174.94 173.55 3fgo s SER 830 N 0.42 4.57 0.53 4.36 0.15 -1.26 -4.86 113.70 117.61 3fgo s SER 830 Ca -0.01 -1.28 0.42 0.00 0.70 0.00 0.00 55.95 55.79 3fgo s SER 830 Cb -0.04 0.37 1.62 0.00 -1.71 0.00 0.00 66.02 66.25 3fgo s SER 830 CO -0.01 -1.04 1.67 1.23 1.20 0.00 0.00 173.24 176.29 3fgo h GLY 831 N 0.86 0.21 0.00 9.45 0.00 -2.03 0.22 103.07 111.78 3fgo h GLY 831 Ca -0.38 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3fgo h GLY 831 CO 0.60 -0.06 -0.08 -0.25 0.00 0.00 0.00 176.54 176.75 3fgo h TRP 832 N 0.02 0.00 0.00 5.60 2.91 -1.98 -2.97 115.95 119.54 3fgo h TRP 832 Ca 0.79 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.81 3fgo h TRP 832 Cb 3.04 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 31.69 3fgo h TRP 832 CO -0.00 0.00 0.15 -0.07 -1.03 0.00 0.00 178.44 177.48 3fgo h LEU 833 N -0.49 0.00 0.30 0.65 4.07 -1.85 1.79 115.31 119.78 3fgo h LEU 833 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 3fgo h LEU 833 Cb 0.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.82 3fgo h LEU 833 CO 0.00 0.00 -0.14 0.15 -1.08 0.00 0.00 178.44 177.37 3fgo h PHE 834 N 0.00 -0.37 0.00 1.13 3.57 -0.70 -3.22 116.94 117.35 3fgo h PHE 834 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3fgo h PHE 834 Cb 0.29 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.15 3fgo h PHE 834 CO 0.00 -0.16 0.00 0.35 -2.23 0.00 0.00 178.31 176.27 3fgo h PHE 835 N -1.07 0.00 0.00 0.41 3.57 -0.88 -2.57 116.94 116.40 3fgo h PHE 835 Ca -0.04 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 3fgo h PHE 835 Cb 0.38 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 3fgo h PHE 835 CO 0.02 0.00 -0.43 -0.09 -2.23 0.00 0.00 178.31 175.58 3fgo h ARG 836 N 0.00 0.00 -0.21 1.11 2.43 0.26 -2.86 114.38 115.12 3fgo h ARG 836 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3fgo h ARG 836 Cb 0.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3fgo h ARG 836 CO 0.00 0.43 0.00 2.48 -1.51 0.00 0.00 179.97 181.37 3fgo n TYR 837 N -3.49 0.56 0.62 2.20 0.18 -1.18 -4.02 117.16 112.02 3fgo n TYR 837 Ca 0.00 -0.77 0.12 0.00 1.88 0.00 0.00 57.90 59.13 3fgo n TYR 837 Cb 0.57 -0.19 0.20 0.00 -0.38 0.00 0.00 39.34 39.53 3fgo n TYR 837 CO 0.00 0.00 0.00 -1.33 -2.08 0.00 0.00 176.86 173.45 3fgo n MET 838 N -0.44 0.26 0.03 -3.48 2.81 -0.98 -1.19 117.12 114.14 3fgo n MET 838 Ca 0.16 0.08 -0.09 0.00 -1.81 0.00 0.00 57.70 56.04 3fgo n MET 838 Cb 0.67 -1.67 -0.07 0.00 -0.71 0.00 0.00 33.22 31.44 3fgo n MET 838 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3fgo h ALA 839 N 2.56 -0.18 -0.90 3.04 0.00 -1.66 -1.86 119.26 120.26 3fgo h ALA 839 Ca 0.00 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.73 3fgo h ALA 839 Cb 0.72 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 3fgo h ALA 839 CO 0.00 -0.23 0.59 0.82 0.00 0.00 0.00 179.25 180.43 3fgo h ILE 840 N -0.92 1.14 0.20 0.00 1.08 -1.70 -0.62 117.51 116.69 3fgo h ILE 840 Ca -0.02 -0.38 -0.01 0.00 -0.39 0.00 0.00 64.86 64.06 3fgo h ILE 840 Cb 0.50 -0.07 -0.00 0.00 -3.07 0.00 0.00 36.82 34.19 3fgo h ILE 840 CO 0.03 0.20 -0.12 1.23 -0.69 0.00 0.00 178.15 178.80 3fgo h GLY 841 N 1.11 -0.55 -0.47 5.37 0.00 -1.23 -1.27 103.07 106.03 3fgo h GLY 841 Ca 0.36 0.23 0.09 0.00 0.00 0.00 0.00 47.33 48.01 3fgo h GLY 841 CO -0.11 -0.19 -0.41 -1.33 0.00 0.00 0.00 176.54 174.49 3fgo h GLY 842 N -0.31 -0.37 0.60 4.60 0.00 -1.21 -1.36 103.07 105.03 3fgo h GLY 842 Ca -0.03 0.53 0.11 0.00 0.00 0.00 0.00 47.33 47.94 3fgo h GLY 842 CO 0.03 -0.17 0.61 -1.82 0.00 0.00 0.00 176.54 175.18 3fgo h TYR 843 N -0.21 1.06 -0.16 5.60 3.20 -1.09 -0.41 116.97 124.96 3fgo h TYR 843 Ca 0.19 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 3fgo h TYR 843 Cb 0.56 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3fgo h TYR 843 CO -0.69 0.46 -0.02 0.28 -1.64 0.00 0.00 178.16 176.55 3fgo h VAL 844 N 0.95 1.27 -0.15 1.81 2.07 -0.18 -1.08 116.25 120.95 3fgo h VAL 844 Ca 0.45 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 3fgo h VAL 844 Cb 0.44 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3fgo h VAL 844 CO -0.21 0.27 -0.14 1.23 0.02 0.00 0.00 177.57 178.74 3fgo h GLY 845 N 0.01 0.25 1.67 2.17 0.00 -0.45 -0.94 103.07 105.77 3fgo h GLY 845 Ca 0.04 -0.15 -0.26 0.00 0.00 0.00 0.00 47.33 46.96 3fgo h GLY 845 CO 0.01 0.14 -1.22 0.00 0.00 0.00 0.00 176.54 175.47 3fgo h ALA 846 N 1.65 0.23 -0.17 3.60 0.00 -1.08 -2.85 119.26 120.63 3fgo h ALA 846 Ca 0.04 -0.95 -0.05 0.00 0.00 0.00 0.00 54.91 53.96 3fgo h ALA 846 Cb 0.38 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3fgo h ALA 846 CO 0.02 1.11 -0.07 0.00 0.00 0.00 0.00 179.25 180.31 3fgo h ALA 847 N 0.72 0.24 0.45 0.00 0.00 -0.87 0.14 119.26 119.94 3fgo h ALA 847 Ca -0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3fgo h ALA 847 Cb 1.91 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 3fgo h ALA 847 CO 0.17 0.04 -0.28 1.79 0.00 0.00 0.00 179.25 180.96 3fgo h THR 848 N 0.03 0.42 -0.53 0.00 1.35 -1.28 0.18 112.91 113.08 3fgo h THR 848 Ca 0.04 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.91 3fgo h THR 848 Cb 0.54 0.42 -0.03 0.00 -1.73 0.00 0.00 68.15 67.35 3fgo h THR 848 CO 0.02 0.00 0.34 0.58 -0.25 0.00 0.00 175.52 176.22 3fgo h VAL 849 N -0.70 1.12 0.00 6.82 2.07 -1.53 -1.31 116.25 122.71 3fgo h VAL 849 Ca -0.05 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3fgo h VAL 849 Cb 0.57 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3fgo h VAL 849 CO 0.05 0.13 -0.05 1.23 0.02 0.00 0.00 177.57 178.95 3fgo h GLY 850 N 0.70 0.00 1.00 2.17 0.00 -0.46 -0.52 103.07 105.96 3fgo h GLY 850 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.40 3fgo h GLY 850 CO -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 176.54 176.15 3fgo h ALA 851 N 1.95 0.43 0.21 3.60 0.00 0.52 0.15 119.26 126.12 3fgo h ALA 851 Ca -0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3fgo h ALA 851 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3fgo h ALA 851 CO 0.01 0.48 -0.10 0.00 0.00 0.00 0.00 179.25 179.64 3fgo h ALA 852 N 0.70 -0.28 -0.75 0.00 0.00 -1.02 -2.98 119.26 114.93 3fgo h ALA 852 Ca 0.04 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.85 3fgo h ALA 852 Cb 0.92 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 3fgo h ALA 852 CO 0.08 -0.50 0.44 0.00 0.00 0.00 0.00 179.25 179.26 3fgo h ALA 853 N 0.13 1.02 -0.95 0.00 0.00 -1.12 -0.51 119.26 117.83 3fgo h ALA 853 Ca -0.03 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.98 3fgo h ALA 853 Cb 0.43 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 3fgo h ALA 853 CO 0.05 0.13 0.59 2.35 0.00 0.00 0.00 179.25 182.37 3fgo h TRP 854 N 0.79 1.08 -0.18 0.00 7.01 -0.73 0.16 115.95 124.09 3fgo h TRP 854 Ca 0.34 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 61.27 3fgo h TRP 854 Cb 0.21 -0.35 -0.00 0.00 -2.10 0.00 0.00 29.16 26.92 3fgo h TRP 854 CO -0.06 0.49 -0.28 2.35 -2.79 0.00 0.00 178.44 178.15 3fgo h TRP 855 N 1.01 0.62 0.00 2.65 7.01 -1.12 -0.57 115.95 125.55 3fgo h TRP 855 Ca 0.44 -0.21 -0.04 0.00 2.11 0.00 0.00 58.89 61.19 3fgo h TRP 855 Cb 0.32 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.26 3fgo h TRP 855 CO -0.02 0.92 -0.17 0.74 -2.79 0.00 0.00 178.44 177.11 3fgo h PHE 856 N 0.14 0.00 0.00 2.65 0.05 -0.54 -3.34 116.94 115.90 3fgo h PHE 856 Ca 0.02 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.81 3fgo h PHE 856 Cb 0.86 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.81 3fgo h PHE 856 CO 0.09 0.17 0.00 -1.33 -0.18 0.00 0.00 178.31 177.06 3fgo n MET 857 N -4.32 0.00 0.00 1.51 2.81 0.49 -1.40 117.12 116.22 3fgo n MET 857 Ca -0.02 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.89 3fgo n MET 857 Cb 0.24 0.00 0.12 0.00 -0.71 0.00 0.00 33.22 32.87 3fgo n MET 857 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3fgo n TYR 858 N 0.00 0.00 -3.61 2.03 4.02 -0.70 -0.10 117.16 118.81 3fgo n TYR 858 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.51 3fgo n TYR 858 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.26 3fgo n TYR 858 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3fgo s ALA 859 N -2.00 3.74 0.05 -0.72 0.00 -0.31 -5.00 121.76 117.54 3fgo s ALA 859 Ca 0.06 -0.34 -0.21 0.00 0.00 0.00 0.00 51.96 51.47 3fgo s ALA 859 Cb 0.03 -2.27 -0.12 0.00 0.00 0.00 0.00 23.12 20.75 3fgo s ALA 859 CO 0.05 0.50 1.44 0.93 0.00 0.00 0.00 175.76 178.69 3fgo h GLU 860 N 4.86 0.31 -2.28 0.00 5.08 -1.87 -3.36 114.58 117.33 3fgo h GLU 860 Ca -0.52 -0.12 -0.62 0.00 -1.00 0.00 0.00 59.36 57.09 3fgo h GLU 860 Cb 1.22 -0.02 -0.40 0.00 0.50 0.00 0.00 28.75 30.05 3fgo h GLU 860 CO 0.61 0.58 -0.41 -0.25 -1.00 0.00 0.00 179.01 178.54 3fgo n ASP 861 N -4.68 4.37 0.00 1.42 9.92 -1.26 -4.64 116.55 121.68 3fgo n ASP 861 Ca -0.05 -3.53 0.00 0.00 -0.53 0.00 0.00 54.79 50.68 3fgo n ASP 861 Cb 0.26 -0.71 0.00 0.00 -0.64 0.00 0.00 41.12 40.03 3fgo n ASP 861 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3fgo n GLY 862 N 0.53 1.37 0.26 0.44 0.00 -1.26 -5.11 105.19 101.43 3fgo n GLY 862 Ca 0.31 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 3fgo n GLY 862 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fgo h PRO 863 N 0.00 -0.56 -5.30 1.61 0.11 -1.73 -3.48 132.00 122.65 3fgo h PRO 863 Ca 0.00 0.04 -0.42 0.00 0.11 0.00 0.00 66.00 65.73 3fgo h PRO 863 Cb 0.00 0.13 -0.14 0.00 0.11 0.00 0.00 31.00 31.09 3fgo h PRO 863 CO 0.00 -0.37 -0.68 0.20 -0.21 0.00 0.00 178.00 176.93 3fgo s GLY 864 N -2.13 1.55 0.49 -0.55 0.00 -1.26 -4.95 107.32 100.46 3fgo s GLY 864 Ca -0.16 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 42.81 3fgo s GLY 864 CO 0.64 -1.73 0.00 -0.62 0.00 0.00 0.00 173.10 171.39 3fgo n VAL 865 N -0.43 -0.73 0.04 1.40 0.31 0.86 -4.93 118.33 114.85 3fgo n VAL 865 Ca -0.06 0.75 0.00 0.00 -0.01 0.00 0.00 64.34 65.01 3fgo n VAL 865 Cb 0.63 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 3fgo n VAL 865 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3fgo n THR 866 N -4.08 0.00 0.00 2.52 -2.24 -1.26 -4.76 114.28 104.46 3fgo n THR 866 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3fgo n THR 866 Cb 0.55 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 3fgo n THR 866 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3fgo n TYR 867 N -2.91 0.00 0.08 4.78 4.01 -1.26 -3.24 117.16 118.62 3fgo n TYR 867 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 3fgo n TYR 867 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 3fgo n TYR 867 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3fgo h HIS 868 N 0.00 0.00 -0.50 -0.72 2.76 -1.99 -3.24 115.15 111.45 3fgo h HIS 868 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3fgo h HIS 868 Cb 0.00 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.94 3fgo h HIS 868 CO 0.00 0.78 0.32 1.96 -1.30 0.00 0.00 177.93 179.69 3fgo h GLN 869 N 0.00 0.67 -0.32 5.26 4.20 -1.93 -2.80 115.11 120.19 3fgo h GLN 869 Ca -0.04 -0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.69 3fgo h GLN 869 Cb 1.63 -0.15 -0.06 0.00 0.30 0.00 0.00 27.48 29.20 3fgo h GLN 869 CO 0.10 0.47 -0.09 1.25 -0.67 0.00 0.00 178.83 179.88 3fgo h LEU 870 N 0.67 -0.33 0.00 1.46 5.85 -1.80 -0.70 115.31 120.46 3fgo h LEU 870 Ca 0.18 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.00 3fgo h LEU 870 Cb -0.04 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3fgo h LEU 870 CO -0.04 -0.12 0.00 0.35 -0.34 0.00 0.00 178.44 178.29 3fgo n THR 871 N -5.27 0.46 -2.01 1.05 -2.24 -1.08 -2.62 114.28 102.56 3fgo n THR 871 Ca 0.00 0.11 0.04 0.00 -2.27 0.00 0.00 64.05 61.94 3fgo n THR 871 Cb 0.19 -0.82 0.07 0.00 -2.10 0.00 0.00 70.33 67.67 3fgo n THR 871 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3fgo n HIS 872 N -1.27 0.00 0.06 4.78 8.25 -0.40 -4.59 115.22 122.05 3fgo n HIS 872 Ca 0.09 -0.66 0.21 0.00 -0.26 0.00 0.00 57.72 57.09 3fgo n HIS 872 Cb 0.14 -0.15 0.74 0.00 1.12 0.00 0.00 29.99 31.84 3fgo n HIS 872 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3fgo h PHE 873 N 0.64 0.00 -0.90 4.41 -0.00 -0.95 -0.44 116.94 119.70 3fgo h PHE 873 Ca -0.10 0.00 0.09 0.00 -0.00 0.00 0.00 57.97 57.97 3fgo h PHE 873 Cb 1.48 0.00 -0.06 0.00 -0.00 0.00 0.00 35.95 37.36 3fgo h PHE 873 CO 0.27 0.00 0.58 0.52 -0.00 0.00 0.00 178.31 179.68 3fgo h MET 874 N 0.00 0.89 -0.04 6.09 2.86 -1.87 -1.62 114.93 121.24 3fgo h MET 874 Ca 0.22 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3fgo h MET 874 Cb 1.03 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.49 3fgo h MET 874 CO -0.00 0.59 0.00 1.04 1.06 0.00 0.00 176.91 179.59 3fgo n GLN 875 N -4.53 1.12 -0.28 1.72 6.02 -0.17 -4.10 117.38 117.16 3fgo n GLN 875 Ca 0.15 -0.19 -0.06 0.00 -0.01 0.00 0.00 57.00 56.90 3fgo n GLN 875 Cb 0.29 -1.17 0.06 0.00 1.02 0.00 0.00 30.24 30.44 3fgo n GLN 875 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3fgo h THR 877 N 1.11 1.29 -0.25 0.00 2.02 -1.82 -3.06 112.91 112.20 3fgo h THR 877 Ca 0.26 -1.14 -0.15 0.00 0.77 0.00 0.00 66.41 66.15 3fgo h THR 877 Cb 0.21 1.51 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 3fgo h THR 877 CO -0.02 0.36 -0.42 -0.33 0.37 0.00 0.00 175.52 175.47 3fgo h GLU 878 N 0.24 0.73 -1.97 6.66 4.39 -1.82 -3.38 114.58 119.43 3fgo h GLU 878 Ca 0.06 -0.45 -0.60 0.00 0.34 0.00 0.00 59.36 58.71 3fgo h GLU 878 Cb 0.58 0.05 -0.41 0.00 -0.10 0.00 0.00 28.75 28.86 3fgo h GLU 878 CO 0.03 1.07 -0.60 -3.47 -1.16 0.00 0.00 179.01 174.88 3fgo n ASP 879 N -4.17 4.72 0.26 1.42 -0.08 -0.19 -4.92 116.55 113.59 3fgo n ASP 879 Ca -0.05 -3.71 0.13 0.00 -1.51 0.00 0.00 54.79 49.66 3fgo n ASP 879 Cb 0.55 -0.54 0.70 0.00 2.34 0.00 0.00 41.12 44.17 3fgo n ASP 879 CO 0.00 0.00 0.00 -0.74 0.12 0.00 0.00 177.20 176.58 3fgo h HIS 880 N 2.85 0.00 0.00 -0.67 -0.00 -1.73 -2.56 115.15 113.04 3fgo h HIS 880 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.59 3fgo h HIS 880 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.07 3fgo h HIS 880 CO 0.85 0.12 0.00 -2.30 -0.00 0.00 0.00 177.93 176.61 3fgo n PRO 881 N -3.53 0.52 0.00 5.26 -0.02 -1.26 -1.93 135.00 134.04 3fgo n PRO 881 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3fgo n PRO 881 Cb 0.27 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 3fgo n PRO 881 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3fgo n HIS 882 N 0.33 0.00 -1.29 6.00 8.25 -0.96 -4.64 115.22 122.91 3fgo n HIS 882 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 3fgo n HIS 882 Cb 0.15 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.24 3fgo n HIS 882 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3fgo n PHE 883 N -1.99 1.67 -1.65 4.41 3.72 -0.81 -5.00 117.46 117.81 3fgo n PHE 883 Ca 0.00 -2.01 -0.47 0.00 -0.05 0.00 0.00 57.45 54.93 3fgo n PHE 883 Cb 0.45 -1.24 -0.04 0.00 -0.94 0.00 0.00 39.48 37.71 3fgo n PHE 883 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3fgo n GLU 884 N 0.60 1.87 0.00 -1.08 -0.58 -1.16 -1.87 120.64 118.41 3fgo n GLU 884 Ca 0.43 0.67 0.00 0.00 -0.42 0.00 0.00 57.16 57.84 3fgo n GLU 884 Cb 0.56 -2.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.08 3fgo n GLU 884 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fgo n GLY 885 N 2.69 2.57 3.75 0.62 0.00 -1.26 -4.98 105.19 108.58 3fgo n GLY 885 Ca 0.15 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3fgo n GLY 885 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fgo s LEU 886 N 0.00 4.60 0.02 0.99 1.43 -0.78 -5.03 118.68 119.90 3fgo s LEU 886 Ca 0.00 2.02 -0.28 0.00 -1.03 0.00 0.00 54.13 54.84 3fgo s LEU 886 Cb 0.00 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 3fgo s LEU 886 CO 0.00 0.06 0.89 -0.62 0.23 0.00 0.00 176.35 176.91 3fgo s ASP 887 N -1.14 7.30 0.00 2.29 2.15 -1.26 -4.91 116.67 121.10 3fgo s ASP 887 Ca 0.43 1.56 -0.01 0.00 0.43 0.00 0.00 52.55 54.96 3fgo s ASP 887 Cb -0.27 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 39.79 3fgo s ASP 887 CO 0.34 -0.15 1.12 0.00 -0.17 0.00 0.00 175.17 176.31 3fgo n GLU 889 N 2.04 3.10 0.07 0.00 2.13 -1.26 -4.78 120.64 121.95 3fgo n GLU 889 Ca 0.05 0.00 0.17 0.00 0.66 0.00 0.00 57.16 58.04 3fgo n GLU 889 Cb 0.26 -0.26 0.68 0.00 0.27 0.00 0.00 31.44 32.40 3fgo n GLU 889 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3fgo h ILE 890 N 0.00 0.79 0.00 6.31 2.04 -1.76 0.24 117.51 125.12 3fgo h ILE 890 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3fgo h ILE 890 Cb 0.00 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3fgo h ILE 890 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.64 3fgo n PHE 891 N -4.40 0.00 0.32 1.37 3.01 -1.26 -0.93 117.46 115.57 3fgo n PHE 891 Ca 0.06 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.56 3fgo n PHE 891 Cb 0.47 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.97 3fgo n PHE 891 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3fgo n GLU 892 N -0.78 0.29 -1.58 -1.08 1.02 0.07 -4.87 120.64 113.71 3fgo n GLU 892 Ca 0.09 -0.91 -0.47 0.00 -0.02 0.00 0.00 57.16 55.85 3fgo n GLU 892 Cb 0.04 -1.13 -0.03 0.00 -0.02 0.00 0.00 31.44 30.30 3fgo n GLU 892 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fgo n ALA 893 N 0.35 -0.59 0.23 0.62 0.00 -0.10 -4.89 120.51 116.13 3fgo n ALA 893 Ca 0.04 0.43 0.12 0.00 0.00 0.00 0.00 53.44 54.03 3fgo n ALA 893 Cb 0.19 -2.01 0.41 0.00 0.00 0.00 0.00 19.45 18.04 3fgo n ALA 893 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3fgo h PRO 894 N 2.63 0.00 0.33 0.00 0.11 -1.90 -3.34 132.00 129.84 3fgo h PRO 894 Ca -0.41 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 3fgo h PRO 894 Cb 1.35 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.43 3fgo h PRO 894 CO 0.65 0.11 -0.43 0.93 -0.21 0.00 0.00 178.00 179.06 3fgo h GLU 895 N 0.00 -0.75 -0.57 1.05 3.07 -1.87 0.95 114.58 116.45 3fgo h GLU 895 Ca -0.00 0.05 0.09 0.00 -0.50 0.00 0.00 59.36 59.00 3fgo h GLU 895 Cb 0.81 0.17 -0.07 0.00 -0.84 0.00 0.00 28.75 28.81 3fgo h GLU 895 CO 0.01 -0.50 0.18 -1.00 -1.40 0.00 0.00 179.01 176.30 3fgo h PRO 896 N -0.78 0.33 -0.45 2.33 0.13 -1.87 0.32 132.00 132.01 3fgo h PRO 896 Ca -0.04 -0.02 0.06 0.00 -0.87 0.00 0.00 66.00 65.13 3fgo h PRO 896 Cb 0.70 -0.07 -0.05 0.00 0.13 0.00 0.00 31.00 31.71 3fgo h PRO 896 CO -0.10 0.22 0.17 0.52 -0.23 0.00 0.00 178.00 178.57 3fgo h MET 897 N 0.34 0.34 -0.40 0.86 2.86 -1.68 0.12 114.93 117.36 3fgo h MET 897 Ca 0.29 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.90 3fgo h MET 897 Cb 0.37 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 3fgo h MET 897 CO -0.32 0.22 0.20 1.15 1.06 0.00 0.00 176.91 179.23 3fgo h THR 898 N 0.35 1.14 -0.39 2.22 2.02 0.19 0.86 112.91 119.28 3fgo h THR 898 Ca 0.21 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 67.03 3fgo h THR 898 Cb 0.20 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3fgo h THR 898 CO -0.21 0.15 0.25 0.24 0.37 0.00 0.00 175.52 176.32 3fgo h MET 899 N 0.56 0.49 -0.03 6.66 2.86 0.64 -0.84 114.93 125.26 3fgo h MET 899 Ca 0.14 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 3fgo h MET 899 Cb 0.05 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 3fgo h MET 899 CO -0.02 0.32 -0.02 0.00 1.06 0.00 0.00 176.91 178.25 3fgo h ALA 900 N 1.16 0.05 -0.78 6.32 0.00 0.22 -2.02 119.26 124.21 3fgo h ALA 900 Ca 0.15 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3fgo h ALA 900 Cb -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3fgo h ALA 900 CO -0.05 -0.21 0.31 1.25 0.00 0.00 0.00 179.25 180.55 3fgo h LEU 901 N -0.34 1.07 -1.08 0.00 5.85 0.46 -1.31 115.31 119.96 3fgo h LEU 901 Ca 0.01 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 3fgo h LEU 901 Cb 0.47 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3fgo h LEU 901 CO 0.01 0.95 -0.34 0.28 -0.34 0.00 0.00 178.44 179.00 3fgo h SER 902 N 1.14 0.00 0.01 1.25 0.02 -1.15 -0.93 113.55 113.88 3fgo h SER 902 Ca 0.26 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.16 3fgo h SER 902 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3fgo h SER 902 CO -0.02 0.34 -0.19 0.58 -1.14 0.00 0.00 176.83 176.40 3fgo h VAL 903 N 0.00 1.60 -0.13 2.27 2.07 -0.94 -1.82 116.25 119.30 3fgo h VAL 903 Ca -0.00 -2.02 0.02 0.00 0.82 0.00 0.00 66.70 65.52 3fgo h VAL 903 Cb 0.81 2.92 -0.05 0.00 -1.52 0.00 0.00 31.29 33.45 3fgo h VAL 903 CO 0.04 0.54 -0.41 0.25 0.02 0.00 0.00 177.57 178.02 3fgo h LEU 904 N -0.64 -1.31 -0.34 2.57 5.85 -1.18 0.35 115.31 120.61 3fgo h LEU 904 Ca -0.03 0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.92 3fgo h LEU 904 Cb 1.00 0.52 -0.07 0.00 0.37 0.00 0.00 40.66 42.47 3fgo h LEU 904 CO 0.04 -0.35 -0.14 0.58 -0.34 0.00 0.00 178.44 178.23 3fgo h VAL 905 N -0.41 0.55 -0.40 1.05 2.07 -1.27 0.30 116.25 118.13 3fgo h VAL 905 Ca 0.03 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.60 3fgo h VAL 905 Cb 0.50 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 3fgo h VAL 905 CO -0.35 0.00 0.14 0.74 0.02 0.00 0.00 177.57 178.12 3fgo h THR 906 N -0.08 0.87 -0.76 2.57 2.02 -1.12 -0.16 112.91 116.25 3fgo h THR 906 Ca 0.17 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 3fgo h THR 906 Cb 0.33 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 3fgo h THR 906 CO -0.39 0.05 0.47 0.40 0.37 0.00 0.00 175.52 176.42 3fgo h ILE 907 N 0.29 1.21 -0.37 3.11 2.04 0.10 -1.53 117.51 122.37 3fgo h ILE 907 Ca 0.19 -0.46 -0.10 0.00 1.00 0.00 0.00 64.86 65.49 3fgo h ILE 907 Cb 0.17 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 3fgo h ILE 907 CO -0.19 0.22 -0.16 -0.33 0.00 0.00 0.00 178.15 177.69 3fgo h GLU 908 N 1.04 0.69 -0.04 2.37 4.39 0.03 0.25 114.58 123.31 3fgo h GLU 908 Ca 0.27 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 3fgo h GLU 908 Cb -0.05 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3fgo h GLU 908 CO -0.05 0.81 0.02 0.52 -1.16 0.00 0.00 179.01 179.14 3fgo h MET 909 N 0.62 0.06 -0.75 2.33 2.86 -0.65 0.20 114.93 119.60 3fgo h MET 909 Ca 0.10 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.81 3fgo h MET 909 Cb 0.62 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.22 3fgo h MET 909 CO 0.04 0.19 0.49 0.00 1.06 0.00 0.00 176.91 178.69 3fgo h ASN 911 N 0.70 0.07 0.26 0.00 -1.24 0.12 -2.77 115.58 112.73 3fgo h ASN 911 Ca 0.34 -0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.30 3fgo h ASN 911 Cb 0.38 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.41 3fgo h ASN 911 CO -0.12 0.63 -0.06 0.00 -1.29 0.00 0.00 177.43 176.59 3fgo h ALA 912 N 1.37 1.28 0.19 1.57 0.00 -0.02 -1.31 119.26 122.34 3fgo h ALA 912 Ca -0.00 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.58 3fgo h ALA 912 Cb 1.03 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.84 3fgo h ALA 912 CO 0.08 0.08 -1.22 -0.07 0.00 0.00 0.00 179.25 178.12 3fgo h LEU 913 N 0.00 0.63 -2.14 0.00 3.38 -1.50 -3.24 115.31 112.43 3fgo h LEU 913 Ca -0.00 -0.93 0.06 0.00 0.09 0.00 0.00 57.88 57.10 3fgo h LEU 913 Cb 0.21 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3fgo h LEU 913 CO 0.01 1.58 0.30 0.78 0.09 0.00 0.00 178.44 181.20 3fgo h ASN 914 N -0.12 0.00 -0.06 -0.43 4.21 -1.12 0.85 115.58 118.91 3fgo h ASN 914 Ca -0.22 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.29 3fgo h ASN 914 Cb 1.91 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.11 3fgo h ASN 914 CO 0.20 0.00 0.00 -1.20 -1.29 0.00 0.00 177.43 175.14 3fgo n SER 915 N -3.52 1.68 -0.26 5.81 7.64 -0.62 -3.82 113.62 120.52 3fgo n SER 915 Ca 0.02 -1.60 -0.02 0.00 1.01 0.00 0.00 58.87 58.28 3fgo n SER 915 Cb 0.42 -0.03 0.15 0.00 -1.01 0.00 0.00 64.21 63.74 3fgo n SER 915 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3fgo h LEU 916 N 2.52 0.99 -7.78 -3.43 3.38 -0.91 -3.43 115.31 106.65 3fgo h LEU 916 Ca 0.00 -0.09 -0.37 0.00 0.09 0.00 0.00 57.88 57.51 3fgo h LEU 916 Cb 0.54 -0.25 -0.32 0.00 0.09 0.00 0.00 40.66 40.72 3fgo h LEU 916 CO 0.00 0.80 -0.76 -0.55 0.09 0.00 0.00 178.44 178.02 3fgo s SER 917 N -6.34 0.73 0.31 -0.43 0.15 -1.25 -5.04 113.70 101.83 3fgo s SER 917 Ca -0.12 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.44 3fgo s SER 917 Cb 0.17 -0.27 0.49 0.00 -1.71 0.00 0.00 66.02 64.70 3fgo s SER 917 CO 0.81 -0.02 1.90 -0.08 1.20 0.00 0.00 173.24 177.05 3fgo h GLU 918 N 6.76 0.82 0.00 5.44 4.81 -1.83 -3.41 114.58 127.18 3fgo h GLU 918 Ca -0.36 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3fgo h GLU 918 Cb 1.16 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3fgo h GLU 918 CO 0.49 0.67 -0.33 0.09 -0.73 0.00 0.00 179.01 179.19 3fgo n ASN 919 N -4.34 0.28 -4.63 1.04 3.02 -1.26 -4.99 115.26 104.37 3fgo n ASN 919 Ca 0.05 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.16 3fgo n ASN 919 Cb 0.15 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.29 3fgo n ASN 919 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fgo n GLN 920 N -2.49 2.37 -1.22 3.52 6.02 -1.26 -4.77 117.38 119.55 3fgo n GLN 920 Ca 0.00 0.81 -0.38 0.00 -0.01 0.00 0.00 57.00 57.42 3fgo n GLN 920 Cb 0.17 -2.97 0.03 0.00 1.02 0.00 0.00 30.24 28.49 3fgo n GLN 920 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3fgo n SER 921 N 8.70 -3.32 0.00 1.08 7.64 -1.26 -4.56 113.62 121.89 3fgo n SER 921 Ca 0.25 0.55 0.13 0.00 1.01 0.00 0.00 58.87 60.80 3fgo n SER 921 Cb 0.39 -0.95 0.69 0.00 -1.01 0.00 0.00 64.21 63.33 3fgo n SER 921 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3fgo n LEU 922 N 1.84 0.00 -0.06 -3.43 4.77 -1.26 -0.39 117.00 118.47 3fgo n LEU 922 Ca 0.07 0.18 -0.14 0.00 -0.03 0.00 0.00 56.01 56.09 3fgo n LEU 922 Cb 0.50 -0.18 -0.12 0.00 -2.33 0.00 0.00 43.42 41.28 3fgo n LEU 922 CO 0.53 -0.03 0.40 0.24 -1.33 0.00 0.00 177.39 177.20 3fgo h MET 923 N 0.00 -0.00 0.00 3.23 2.86 -1.97 -3.29 114.93 115.76 3fgo h MET 923 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3fgo h MET 923 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 3fgo h MET 923 CO 0.00 0.94 -0.55 0.00 1.06 0.00 0.00 176.91 178.36 3fgo h ARG 924 N -0.96 0.00 -3.05 1.72 3.08 -1.82 -3.35 114.38 110.00 3fgo h ARG 924 Ca -0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 3fgo h ARG 924 Cb 0.94 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.57 3fgo h ARG 924 CO 0.00 0.00 -0.60 1.41 -1.07 0.00 0.00 179.97 179.71 3fgo s MET 925 N -3.27 2.36 0.05 0.04 1.75 0.48 -5.00 119.30 115.71 3fgo s MET 925 Ca 0.04 -3.26 -0.38 0.00 -1.25 0.00 0.00 55.69 50.83 3fgo s MET 925 Cb 0.09 -3.31 -0.18 0.00 2.84 0.00 0.00 34.83 34.27 3fgo s MET 925 CO 0.73 -1.29 1.23 -2.30 -0.65 0.00 0.00 175.02 172.74 3fgo n PRO 926 N 2.05 0.66 0.00 4.11 -0.02 -1.24 -4.42 135.00 136.14 3fgo n PRO 926 Ca 0.20 0.24 0.02 0.00 -2.02 0.00 0.00 63.50 61.94 3fgo n PRO 926 Cb 0.36 -1.82 0.10 0.00 -0.02 0.00 0.00 33.50 32.12 3fgo n PRO 926 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3fgo n PRO 927 N 2.12 0.27 -0.16 0.52 -0.02 -1.25 -1.83 135.00 134.63 3fgo n PRO 927 Ca 0.19 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.79 3fgo n PRO 927 Cb 0.14 -1.21 0.25 0.00 -0.02 0.00 0.00 33.50 32.66 3fgo n PRO 927 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 3fgo n TRP 928 N -0.71 0.43 0.27 6.00 2.14 -1.26 -4.51 117.44 119.81 3fgo n TRP 928 Ca 0.03 -0.22 -0.18 0.00 2.07 0.00 0.00 57.50 59.20 3fgo n TRP 928 Cb 0.01 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.41 3fgo n TRP 928 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 3fgo h VAL 929 N 3.99 0.00 -2.96 -1.67 2.07 -1.71 -3.38 116.25 112.58 3fgo h VAL 929 Ca 0.00 0.00 -0.71 0.00 0.82 0.00 0.00 66.70 66.81 3fgo h VAL 929 Cb 0.88 0.00 -0.20 0.00 -1.52 0.00 0.00 31.29 30.44 3fgo h VAL 929 CO 0.00 0.00 0.17 0.21 0.02 0.00 0.00 177.57 177.97 3fgo s ASN 930 N -4.36 6.30 0.57 0.57 3.84 -1.26 -4.90 114.94 115.69 3fgo s ASN 930 Ca -0.17 -1.66 0.36 0.00 0.21 0.00 0.00 52.86 51.59 3fgo s ASN 930 Cb 0.04 -2.30 1.62 0.00 -0.55 0.00 0.00 41.25 40.07 3fgo s ASN 930 CO 0.59 -1.04 2.08 0.40 -2.79 0.00 0.00 177.10 176.35 3fgo h ILE 931 N 5.78 0.05 -0.02 -5.21 1.08 -1.93 -1.54 117.51 115.72 3fgo h ILE 931 Ca -0.20 -0.41 -0.18 0.00 -0.39 0.00 0.00 64.86 63.67 3fgo h ILE 931 Cb 1.08 1.39 -0.01 0.00 -3.07 0.00 0.00 36.82 36.20 3fgo h ILE 931 CO 1.06 0.01 -0.80 -0.50 -0.69 0.00 0.00 178.15 177.24 3fgo h TRP 932 N 0.00 0.30 -0.33 1.37 6.55 -1.92 -2.27 115.95 119.65 3fgo h TRP 932 Ca -0.00 -0.15 -0.11 0.00 0.95 0.00 0.00 58.89 59.58 3fgo h TRP 932 Cb 0.39 -0.04 -0.01 0.00 -0.86 0.00 0.00 29.16 28.64 3fgo h TRP 932 CO 0.00 0.92 -0.26 1.25 -1.05 0.00 0.00 178.44 179.29 3fgo h LEU 933 N 0.13 0.69 0.11 -4.49 5.85 -1.53 0.42 115.31 116.48 3fgo h LEU 933 Ca -0.03 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 3fgo h LEU 933 Cb 1.39 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3fgo h LEU 933 CO 0.12 0.93 -0.05 -0.07 -0.34 0.00 0.00 178.44 179.03 3fgo h LEU 934 N 0.59 -0.12 -1.25 2.25 3.38 -1.52 0.29 115.31 118.92 3fgo h LEU 934 Ca 0.08 -0.42 0.15 0.00 0.09 0.00 0.00 57.88 57.78 3fgo h LEU 934 Cb 0.76 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.46 3fgo h LEU 934 CO 0.06 0.40 0.58 1.23 0.09 0.00 0.00 178.44 180.80 3fgo h GLY 935 N -0.69 1.27 0.69 0.83 0.00 -1.40 0.22 103.07 104.00 3fgo h GLY 935 Ca -0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 3fgo h GLY 935 CO 0.02 0.08 -0.49 0.23 0.00 0.00 0.00 176.54 176.38 3fgo h SER 936 N 0.72 -1.30 -0.97 0.19 0.87 0.14 -0.85 113.55 112.35 3fgo h SER 936 Ca 0.46 0.09 0.09 0.00 -1.23 0.00 0.00 61.79 61.20 3fgo h SER 936 Cb 0.73 0.40 -0.07 0.00 -0.44 0.00 0.00 62.40 63.02 3fgo h SER 936 CO -0.22 -0.71 0.62 0.40 -0.53 0.00 0.00 176.83 176.39 3fgo h ILE 937 N -1.12 1.02 -0.57 2.23 2.04 0.82 -0.02 117.51 121.91 3fgo h ILE 937 Ca -0.09 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 3fgo h ILE 937 Cb 0.92 -0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3fgo h ILE 937 CO 0.03 0.19 0.22 0.00 0.00 0.00 0.00 178.15 178.59 3fgo h LEU 939 N 0.83 -0.62 -0.46 0.00 5.85 0.45 -1.90 115.31 119.45 3fgo h LEU 939 Ca 0.19 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.97 3fgo h LEU 939 Cb 0.18 0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 3fgo h LEU 939 CO -0.02 -0.32 -0.07 0.28 -0.34 0.00 0.00 178.44 177.97 3fgo h SER 940 N -0.91 -0.34 -0.51 1.25 0.02 -1.16 0.75 113.55 112.65 3fgo h SER 940 Ca -0.07 0.13 0.06 0.00 -0.84 0.00 0.00 61.79 61.06 3fgo h SER 940 Cb 0.62 0.25 -0.05 0.00 0.14 0.00 0.00 62.40 63.37 3fgo h SER 940 CO 0.12 -0.12 0.22 0.24 -1.14 0.00 0.00 176.83 176.15 3fgo h MET 941 N 0.04 0.42 0.03 3.45 2.86 -1.27 -0.07 114.93 120.39 3fgo h MET 941 Ca 0.23 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 3fgo h MET 941 Cb 0.35 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3fgo h MET 941 CO -0.44 0.28 -0.02 0.66 1.06 0.00 0.00 176.91 178.45 3fgo h SER 942 N 0.43 -0.04 -0.33 1.22 4.64 -0.45 -0.16 113.55 118.87 3fgo h SER 942 Ca 0.23 -0.05 0.10 0.00 -0.47 0.00 0.00 61.79 61.60 3fgo h SER 942 Cb 0.20 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3fgo h SER 942 CO -0.20 0.03 0.31 -0.07 -0.87 0.00 0.00 176.83 176.03 3fgo h LEU 943 N -0.10 0.00 0.04 5.97 3.38 -0.34 0.40 115.31 124.66 3fgo h LEU 943 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3fgo h LEU 943 Cb 0.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.85 3fgo h LEU 943 CO 0.01 0.00 -0.25 -0.74 0.09 0.00 0.00 178.44 177.55 3fgo h HIS 944 N 0.00 0.18 0.00 1.13 2.76 0.31 -2.64 115.15 116.89 3fgo h HIS 944 Ca 0.16 -0.12 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 3fgo h HIS 944 Cb 0.77 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.72 3fgo h HIS 944 CO 0.00 1.06 -0.08 0.74 -1.30 0.00 0.00 177.93 178.36 3fgo h PHE 945 N -0.76 0.00 -0.03 5.26 0.04 -0.51 -0.82 116.94 120.12 3fgo h PHE 945 Ca -0.04 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.66 3fgo h PHE 945 Cb 1.16 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.30 3fgo h PHE 945 CO 0.24 0.08 -0.29 1.25 -0.60 0.00 0.00 178.31 178.99 3fgo h LEU 946 N 0.00 0.05 0.00 1.54 5.85 -0.09 -2.92 115.31 119.74 3fgo h LEU 946 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3fgo h LEU 946 Cb 0.26 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3fgo h LEU 946 CO 0.01 0.34 -0.68 0.40 -0.34 0.00 0.00 178.44 178.17 3fgo h ILE 947 N 0.05 0.00 -0.63 4.05 2.04 -0.79 -2.96 117.51 119.27 3fgo h ILE 947 Ca 0.01 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.08 3fgo h ILE 947 Cb 0.54 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3fgo h ILE 947 CO 0.04 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.37 3fgo n LEU 948 N -2.50 4.37 0.00 1.44 4.77 -0.97 -2.39 117.00 121.72 3fgo n LEU 948 Ca 0.02 -2.20 0.00 0.00 -0.03 0.00 0.00 56.01 53.80 3fgo n LEU 948 Cb 0.50 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3fgo n LEU 948 CO 0.37 0.80 0.00 -1.22 -1.33 0.00 0.00 177.39 176.01 3fgo n TYR 949 N 1.16 0.00 -2.08 -1.77 4.02 -1.19 -3.44 117.16 113.87 3fgo n TYR 949 Ca 0.24 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.79 3fgo n TYR 949 Cb 0.80 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.08 3fgo n TYR 949 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3fgo s VAL 950 N -1.00 3.42 0.00 -0.72 1.01 -1.12 -4.88 120.40 117.11 3fgo s VAL 950 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3fgo s VAL 950 Cb 0.00 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.34 3fgo s VAL 950 CO 0.00 -0.99 0.00 0.47 0.00 0.00 0.00 175.10 174.58 3fgo n ASP 951 N 12.96 0.00 0.11 3.32 9.92 -1.26 0.13 116.55 141.73 3fgo n ASP 951 Ca 0.27 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.50 3fgo n ASP 951 Cb 0.50 0.00 0.13 0.00 -0.64 0.00 0.00 41.12 41.11 3fgo n ASP 951 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 3fgo h PRO 952 N 0.00 0.12 0.51 -0.24 0.11 -1.98 -3.35 132.00 127.17 3fgo h PRO 952 Ca 0.00 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 3fgo h PRO 952 Cb 0.00 0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.13 3fgo h PRO 952 CO 0.00 0.71 -0.25 -0.07 -0.21 0.00 0.00 178.00 178.18 3fgo h LEU 953 N 0.08 -0.59 -1.55 2.35 3.38 0.71 -2.85 115.31 116.84 3fgo h LEU 953 Ca -0.01 -0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.13 3fgo h LEU 953 Cb 1.14 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.98 3fgo h LEU 953 CO 0.09 -0.37 0.55 -0.65 0.09 0.00 0.00 178.44 178.15 3fgo h PRO 954 N -0.75 0.39 0.00 1.13 0.11 -1.59 -1.66 132.00 129.63 3fgo h PRO 954 Ca -0.07 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.91 3fgo h PRO 954 Cb 0.56 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 3fgo h PRO 954 CO 0.12 0.26 -0.48 1.98 -0.21 0.00 0.00 178.00 179.66 3fgo h MET 955 N 0.40 0.00 0.00 1.05 4.05 -1.65 0.12 114.93 118.90 3fgo h MET 955 Ca 0.42 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.58 3fgo h MET 955 Cb 1.03 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.78 3fgo h MET 955 CO -0.15 0.48 -1.70 0.44 0.23 0.00 0.00 176.91 176.21 3fgo n ILE 956 N -3.60 1.46 1.37 1.77 -5.35 -0.68 -3.92 119.36 110.41 3fgo n ILE 956 Ca -0.00 -0.77 0.13 0.00 -0.27 0.00 0.00 62.75 61.84 3fgo n ILE 956 Cb 0.57 -0.89 0.44 0.00 -1.74 0.00 0.00 39.64 38.02 3fgo n ILE 956 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3fgo n PHE 957 N -2.97 0.00 -3.62 4.28 3.01 -0.84 -4.97 117.46 112.35 3fgo n PHE 957 Ca -0.16 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.08 3fgo n PHE 957 Cb 1.00 -0.04 0.04 0.00 -0.01 0.00 0.00 39.48 40.47 3fgo n PHE 957 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3fgo n LYS 958 N -0.07 -4.03 -4.43 -1.08 5.02 -0.57 -4.82 118.16 108.18 3fgo n LYS 958 Ca 0.16 0.64 -0.26 0.00 -2.02 0.00 0.00 58.31 56.83 3fgo n LYS 958 Cb 0.37 -5.13 -0.10 0.00 -0.02 0.00 0.00 35.03 30.16 3fgo n LYS 958 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fgo s LEU 959 N -6.45 2.94 -0.19 -0.35 1.43 0.30 -4.60 118.68 111.77 3fgo s LEU 959 Ca 0.14 -1.21 -0.07 0.00 -1.03 0.00 0.00 54.13 51.96 3fgo s LEU 959 Cb -0.04 -1.13 0.08 0.00 0.03 0.00 0.00 46.19 45.14 3fgo s LEU 959 CO 0.81 -0.41 0.41 -0.75 0.23 0.00 0.00 176.35 176.64 3fgo s LYS 960 N -3.75 0.33 0.28 1.70 2.20 -1.26 -4.62 119.74 114.62 3fgo s LYS 960 Ca 0.36 0.99 -0.26 0.00 -0.36 0.00 0.00 55.97 56.70 3fgo s LYS 960 Cb 0.06 0.26 -0.15 0.00 -1.51 0.00 0.00 37.83 36.49 3fgo s LYS 960 CO 0.19 -0.24 0.57 0.00 -0.36 0.00 0.00 175.35 175.51 3fgo n ALA 961 N 5.21 -2.12 -2.52 3.13 0.00 -1.22 -4.79 120.51 118.20 3fgo n ALA 961 Ca -0.11 0.34 -0.25 0.00 0.00 0.00 0.00 53.44 53.42 3fgo n ALA 961 Cb 0.50 -1.70 -0.01 0.00 0.00 0.00 0.00 19.45 18.24 3fgo n ALA 961 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fgo s LEU 962 N 2.45 3.89 0.62 0.00 1.43 -1.26 -5.07 118.68 120.74 3fgo s LEU 962 Ca 0.62 0.63 -0.08 0.00 -1.03 0.00 0.00 54.13 54.27 3fgo s LEU 962 Cb -0.79 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 41.92 3fgo s LEU 962 CO 0.58 -0.38 0.96 -0.62 0.23 0.00 0.00 176.35 177.12 3fgo s ASP 963 N -3.98 5.63 0.60 2.29 2.15 -1.26 -4.88 116.67 117.21 3fgo s ASP 963 Ca 0.43 0.89 0.39 0.00 0.43 0.00 0.00 52.55 54.68 3fgo s ASP 963 Cb -0.10 -1.85 1.87 0.00 -0.30 0.00 0.00 42.92 42.54 3fgo s ASP 963 CO 0.38 -1.10 2.16 -0.07 -0.17 0.00 0.00 175.17 176.37 3fgo h LEU 964 N -0.30 0.00 0.16 -1.34 -0.00 -1.99 0.62 115.31 112.47 3fgo h LEU 964 Ca -0.45 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.10 3fgo h LEU 964 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 3fgo h LEU 964 CO 0.62 0.00 -1.64 0.74 -0.00 0.00 0.00 178.44 178.15 3fgo h THR 965 N 0.00 1.05 -0.18 0.22 2.02 -1.99 -2.75 112.91 111.28 3fgo h THR 965 Ca 0.00 -2.65 0.03 0.00 0.77 0.00 0.00 66.41 64.56 3fgo h THR 965 Cb 0.26 2.77 -0.02 0.00 -1.74 0.00 0.00 68.15 69.42 3fgo h THR 965 CO 0.00 0.83 0.02 1.56 0.37 0.00 0.00 175.52 178.31 3fgo h GLN 966 N 0.09 0.09 0.17 6.66 1.08 -1.76 -2.70 115.11 118.74 3fgo h GLN 966 Ca -0.30 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.90 3fgo h GLN 966 Cb 2.07 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 29.46 3fgo h GLN 966 CO 0.18 0.06 -0.17 -1.49 -0.95 0.00 0.00 178.83 176.46 3fgo h TRP 967 N 0.09 -0.43 -0.39 2.96 4.06 -0.99 0.58 115.95 121.82 3fgo h TRP 967 Ca 0.08 0.00 0.11 0.00 2.06 0.00 0.00 58.89 61.15 3fgo h TRP 967 Cb 0.08 0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.40 3fgo h TRP 967 CO -0.15 -0.25 0.46 1.25 -3.56 0.00 0.00 178.44 176.19 3fgo h LEU 968 N -0.37 0.00 0.12 -4.49 5.85 -1.47 0.46 115.31 115.42 3fgo h LEU 968 Ca 0.00 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.52 3fgo h LEU 968 Cb 0.34 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.39 3fgo h LEU 968 CO -0.04 0.00 -0.86 -0.03 -0.34 0.00 0.00 178.44 177.17 3fgo h MET 969 N 0.00 0.37 -0.22 1.25 4.05 -0.83 -2.14 114.93 117.41 3fgo h MET 969 Ca 0.19 -0.56 0.05 0.00 -0.28 0.00 0.00 59.70 59.10 3fgo h MET 969 Cb 1.10 0.20 -0.05 0.00 -0.80 0.00 0.00 31.60 32.05 3fgo h MET 969 CO -0.00 1.24 -0.09 0.28 0.23 0.00 0.00 176.91 178.57 3fgo h VAL 970 N -0.22 0.71 0.25 -5.77 2.07 0.19 -3.04 116.25 110.43 3fgo h VAL 970 Ca -0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3fgo h VAL 970 Cb 1.64 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 3fgo h VAL 970 CO 0.16 0.00 -0.12 -0.07 0.02 0.00 0.00 177.57 177.56 3fgo h LEU 971 N -0.05 -0.29 -2.43 2.57 3.38 -0.52 -2.26 115.31 115.70 3fgo h LEU 971 Ca 0.11 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3fgo h LEU 971 Cb 0.22 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3fgo h LEU 971 CO -0.25 -0.04 0.00 0.29 0.09 0.00 0.00 178.44 178.52 3fgo n LYS 972 N -5.15 1.00 0.00 1.13 4.76 -0.81 -0.37 118.16 118.72 3fgo n LYS 972 Ca -0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 3fgo n LYS 972 Cb 0.22 -1.00 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 3fgo n LYS 972 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 3fgo n ILE 973 N 0.93 0.00 -0.09 -0.18 3.06 -1.15 -4.89 119.36 117.04 3fgo n ILE 973 Ca 0.00 0.00 -0.15 0.00 -2.50 0.00 0.00 62.75 60.10 3fgo n ILE 973 Cb 0.50 0.71 -0.08 0.00 0.54 0.00 0.00 39.64 41.31 3fgo n ILE 973 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 3fgo n SER 974 N 0.00 2.23 -0.35 9.51 7.64 -0.62 -4.63 113.62 127.40 3fgo n SER 974 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 3fgo n SER 974 Cb 0.02 -0.36 0.31 0.00 -1.01 0.00 0.00 64.21 63.17 3fgo n SER 974 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3fgo h LEU 975 N -0.21 0.80 0.00 -3.43 -0.00 -0.95 -0.78 115.31 110.75 3fgo h LEU 975 Ca -0.42 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 3fgo h LEU 975 Cb 1.55 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 42.16 3fgo h LEU 975 CO -0.13 0.30 0.05 -2.65 -0.00 0.00 0.00 178.44 176.02 3fgo n PRO 976 N -4.75 0.00 -0.03 1.13 -0.02 -1.26 -1.44 135.00 128.62 3fgo n PRO 976 Ca 0.23 0.13 -0.15 0.00 -2.02 0.00 0.00 63.50 61.70 3fgo n PRO 976 Cb 0.54 -1.55 -0.10 0.00 -0.02 0.00 0.00 33.50 32.36 3fgo n PRO 976 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3fgo h VAL 977 N 0.00 1.49 -0.84 -1.45 3.04 -1.45 0.63 116.25 117.67 3fgo h VAL 977 Ca 0.00 -1.76 0.19 0.00 -1.01 0.00 0.00 66.70 64.12 3fgo h VAL 977 Cb 0.11 2.55 -0.12 0.00 -2.01 0.00 0.00 31.29 31.82 3fgo h VAL 977 CO 0.00 0.49 0.32 0.40 -1.01 0.00 0.00 177.57 177.77 3fgo h ILE 978 N -0.41 0.51 0.05 3.17 2.04 -1.46 0.83 117.51 122.24 3fgo h ILE 978 Ca -0.02 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 3fgo h ILE 978 Cb 0.90 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3fgo h ILE 978 CO 0.04 0.07 -0.02 1.23 0.00 0.00 0.00 178.15 179.47 3fgo h GLY 979 N 0.37 -0.07 -0.80 5.37 0.00 -1.60 -0.08 103.07 106.27 3fgo h GLY 979 Ca 0.50 0.03 0.13 0.00 0.00 0.00 0.00 47.33 47.99 3fgo h GLY 979 CO -0.51 -0.03 -0.28 -0.10 0.00 0.00 0.00 176.54 175.62 3fgo n LEU 980 N -2.18 -0.45 -0.05 3.11 7.94 0.20 -0.22 117.00 125.36 3fgo n LEU 980 Ca -0.01 1.39 -0.11 0.00 -1.11 0.00 0.00 56.01 56.17 3fgo n LEU 980 Cb 0.03 -0.35 -0.05 0.00 0.53 0.00 0.00 43.42 43.58 3fgo n LEU 980 CO 0.02 -1.27 0.84 -0.78 -1.11 0.00 0.00 177.39 175.08 3fgo h ASP 981 N 0.00 0.24 -1.31 1.96 3.58 -0.82 -2.50 116.42 117.57 3fgo h ASP 981 Ca 0.31 -0.18 0.39 0.00 0.42 0.00 0.00 57.03 57.97 3fgo h ASP 981 Cb 0.51 -0.06 -0.09 0.00 1.72 0.00 0.00 39.33 41.40 3fgo h ASP 981 CO -0.80 0.35 0.89 -0.08 -2.88 0.00 0.00 179.24 176.72 3fgo h GLU 982 N 0.11 0.13 -0.06 0.28 4.57 0.14 0.69 114.58 120.43 3fgo h GLU 982 Ca 0.06 -0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 58.04 3fgo h GLU 982 Cb 0.20 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 28.77 3fgo h GLU 982 CO -0.00 0.08 -0.69 0.82 -1.18 0.00 0.00 179.01 178.04 3fgo h ILE 983 N 0.13 1.35 -0.11 2.32 1.08 -1.09 -1.57 117.51 119.62 3fgo h ILE 983 Ca 0.72 -2.00 0.03 0.00 -0.39 0.00 0.00 64.86 63.22 3fgo h ILE 983 Cb 2.40 2.30 -0.00 0.00 -3.07 0.00 0.00 36.82 38.45 3fgo h ILE 983 CO -0.24 0.61 0.34 -0.07 -0.69 0.00 0.00 178.15 178.10 3fgo h LEU 984 N 0.19 0.00 0.03 1.44 3.38 0.57 -1.02 115.31 119.90 3fgo h LEU 984 Ca -0.07 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.51 3fgo h LEU 984 Cb 1.35 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.04 3fgo h LEU 984 CO 0.14 0.00 -2.31 0.29 0.09 0.00 0.00 178.44 176.65 3fgo n LYS 985 N -3.14 0.66 0.00 1.13 5.02 -0.73 -2.43 118.16 118.67 3fgo n LYS 985 Ca 0.00 0.22 0.01 0.00 -2.02 0.00 0.00 58.31 56.52 3fgo n LYS 985 Cb 0.42 -1.57 0.06 0.00 -0.02 0.00 0.00 35.03 33.92 3fgo n LYS 985 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3fgo n PHE 986 N -3.54 0.00 0.00 2.13 -0.00 -0.61 0.98 117.46 116.42 3fgo n PHE 986 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.02 3fgo n PHE 986 Cb 0.97 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 40.45 3fgo n PHE 986 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.76 178.27 3fgo n ILE 987 N -0.54 0.00 -0.08 -2.13 3.06 -0.42 -4.31 119.36 114.94 3fgo n ILE 987 Ca 0.02 -0.10 -0.20 0.00 -2.50 0.00 0.00 62.75 59.97 3fgo n ILE 987 Cb 0.01 0.59 -0.13 0.00 0.54 0.00 0.00 39.64 40.65 3fgo n ILE 987 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3fgo n ALA 988 N -1.41 1.24 0.49 1.51 0.00 -0.90 -2.57 120.51 118.85 3fgo n ALA 988 Ca -0.00 -0.92 0.10 0.00 0.00 0.00 0.00 53.44 52.61 3fgo n ALA 988 Cb 0.00 -0.30 0.41 0.00 0.00 0.00 0.00 19.45 19.57 3fgo n ALA 988 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3fgo n ARG 989 N -3.38 0.10 0.00 0.00 0.63 0.27 -1.65 116.66 112.64 3fgo n ARG 989 Ca -0.41 0.31 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 3fgo n ARG 989 Cb 1.00 -1.68 0.00 0.00 0.45 0.00 0.00 32.46 32.23 3fgo n ARG 989 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3fgo n ASN 990 N -1.87 0.00 0.00 6.15 4.13 -1.26 -4.15 115.26 118.26 3fgo n ASN 990 Ca 0.03 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.31 3fgo n ASN 990 Cb 0.22 0.00 0.11 0.00 -1.54 0.00 0.00 39.78 38.57 3fgo n ASN 990 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3fgo n TYR 991 N 0.00 0.00 0.00 3.10 4.01 -1.24 -3.99 117.16 119.04 3fgo n TYR 991 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3fgo n TYR 991 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3fgo n TYR 991 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 3fgo n LEU 992 N -0.68 0.00 -3.23 7.72 -0.00 -1.06 -4.98 117.00 114.76 3fgo n LEU 992 Ca 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 56.01 3fgo n LEU 992 Cb 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.41 3fgo n LEU 992 CO 0.02 0.00 0.03 -1.61 -0.00 0.00 0.00 177.39 175.84 3fgo s GLU 993 N 0.19 0.79 0.00 1.96 0.41 -0.66 -5.05 118.70 116.34 3fgo s GLU 993 Ca 0.00 -0.44 0.00 0.00 -0.41 0.00 0.00 54.97 54.12 3fgo s GLU 993 Cb 0.00 -0.10 0.00 0.00 -1.78 0.00 0.00 34.13 32.25 3fgo s GLU 993 CO 0.00 -1.20 0.00 0.41 -0.49 0.00 0.00 175.26 173.98