#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3goq s LYS 4 N 0.00 4.79 -0.01 5.56 2.20 -0.55 -4.77 119.74 126.96 3goq s LYS 4 Ca 0.00 1.58 -0.19 0.00 -0.36 0.00 0.00 55.97 57.00 3goq s LYS 4 Cb 0.00 -3.26 -0.05 0.00 -1.51 0.00 0.00 37.83 33.01 3goq s LYS 4 CO 0.00 0.42 0.54 0.21 -0.36 0.00 0.00 175.35 176.15 3goq s LYS 5 N -1.20 4.24 0.00 4.03 2.20 -1.26 -0.54 119.74 127.21 3goq s LYS 5 Ca 0.42 0.63 0.00 0.00 -0.36 0.00 0.00 55.97 56.66 3goq s LYS 5 Cb -0.28 -3.32 -0.00 0.00 -1.51 0.00 0.00 37.83 32.72 3goq s LYS 5 CO 0.34 0.42 -0.01 -1.64 -0.36 0.00 0.00 175.35 174.11 3goq s MET 6 N -0.32 0.07 0.38 4.03 -1.94 -0.34 -4.66 119.30 116.52 3goq s MET 6 Ca 0.28 -0.12 -0.24 0.00 -1.71 0.00 0.00 55.69 53.90 3goq s MET 6 Cb -0.18 0.01 -0.10 0.00 2.01 0.00 0.00 34.83 36.58 3goq s MET 6 CO 0.15 -0.01 1.00 0.20 -0.01 0.00 0.00 175.02 176.36 3goq s GLY 7 N -0.29 2.70 -0.33 -0.03 0.00 -0.26 -1.39 107.32 107.72 3goq s GLY 7 Ca -0.03 0.60 0.03 0.00 0.00 0.00 0.00 44.72 45.32 3goq s GLY 7 CO -0.00 1.01 0.06 -2.27 0.00 0.00 0.00 173.10 171.89 3goq s LEU 8 N -2.53 4.14 -0.43 0.66 2.96 -0.03 -1.24 118.68 122.21 3goq s LEU 8 Ca 0.56 -2.02 -0.22 0.00 -0.22 0.00 0.00 54.13 52.23 3goq s LEU 8 Cb -0.19 -1.45 0.02 0.00 0.50 0.00 0.00 46.19 45.08 3goq s LEU 8 CO 0.24 -0.38 0.72 -0.22 -1.32 0.00 0.00 176.35 175.39 3goq s LEU 9 N 1.07 4.32 -0.24 -0.68 2.96 -0.14 -0.64 118.68 125.34 3goq s LEU 9 Ca 0.10 -0.12 -0.08 0.00 -0.22 0.00 0.00 54.13 53.82 3goq s LEU 9 Cb -0.19 -2.88 -0.03 0.00 0.50 0.00 0.00 46.19 43.59 3goq s LEU 9 CO -0.12 -0.82 0.08 -0.69 -1.32 0.00 0.00 176.35 173.48 3goq s VAL 10 N 3.07 4.56 0.08 1.68 1.01 -0.15 -1.27 120.40 129.39 3goq s VAL 10 Ca 0.27 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.25 3goq s VAL 10 Cb -0.13 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 3goq s VAL 10 CO 0.20 0.36 -0.22 -0.04 0.00 0.00 0.00 175.10 175.40 3goq s MET 11 N 1.32 1.78 0.27 2.72 -1.94 -0.27 -1.17 119.30 122.01 3goq s MET 11 Ca 0.05 -1.14 -0.21 0.00 -1.71 0.00 0.00 55.69 52.68 3goq s MET 11 Cb -0.15 -2.05 0.02 0.00 2.01 0.00 0.00 34.83 34.66 3goq s MET 11 CO 0.04 0.50 0.72 0.00 -0.01 0.00 0.00 175.02 176.27 3goq s ALA 12 N -0.98 -1.25 0.26 3.03 0.00 -1.06 -0.39 121.76 121.37 3goq s ALA 12 Ca 0.15 -0.26 -0.05 0.00 0.00 0.00 0.00 51.96 51.80 3goq s ALA 12 Cb -0.10 0.85 0.30 0.00 0.00 0.00 0.00 23.12 24.16 3goq s ALA 12 CO 0.06 -1.03 1.93 0.52 0.00 0.00 0.00 175.76 177.25 3goq h MET 13 N 2.00 1.28 0.00 0.00 2.86 -1.92 -2.01 114.93 117.14 3goq h MET 13 Ca -0.20 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 3goq h MET 13 Cb 1.25 -0.29 0.00 0.00 0.06 0.00 0.00 31.60 32.62 3goq h MET 13 CO 0.24 0.85 0.00 0.41 1.06 0.00 0.00 176.91 179.47 3goq n GLY 14 N -1.38 0.64 3.14 8.32 0.00 -1.26 -1.45 105.19 113.20 3goq n GLY 14 Ca 0.12 -1.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.24 3goq n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3goq s THR 15 N -2.59 0.14 0.66 2.61 -4.23 -1.26 -4.92 115.64 106.06 3goq s THR 15 Ca 0.00 -1.17 -0.17 0.00 -1.18 0.00 0.00 61.69 59.16 3goq s THR 15 Cb 0.00 -1.07 -0.00 0.00 1.34 0.00 0.00 72.50 72.77 3goq s THR 15 CO 0.00 -0.65 1.28 -2.16 -0.54 0.00 0.00 174.62 172.55 3goq s PRO 16 N -3.04 2.46 0.02 3.99 0.04 -1.26 -4.83 135.00 132.38 3goq s PRO 16 Ca -0.01 2.01 0.17 0.00 0.04 0.00 0.00 61.00 63.21 3goq s PRO 16 Cb 0.01 -1.84 -0.17 0.00 0.04 0.00 0.00 34.50 32.54 3goq s PRO 16 CO -0.07 -1.65 0.71 0.66 0.04 0.00 0.00 177.00 176.68 3goq n TYR 17 N -2.06 0.81 -4.02 0.56 4.01 -1.26 -4.51 117.16 110.69 3goq n TYR 17 Ca 0.15 0.27 -0.09 0.00 -0.16 0.00 0.00 57.90 58.07 3goq n TYR 17 Cb 0.48 -1.05 -0.06 0.00 -0.31 0.00 0.00 39.34 38.41 3goq n TYR 17 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 3goq s LYS 18 N -2.89 1.49 0.31 -0.72 -2.85 -1.26 -4.20 119.74 109.62 3goq s LYS 18 Ca -0.04 -1.28 0.02 0.00 -1.00 0.00 0.00 55.97 53.66 3goq s LYS 18 Cb 0.09 0.44 0.58 0.00 -2.06 0.00 0.00 37.83 36.88 3goq s LYS 18 CO 0.82 -0.60 1.92 1.49 0.10 0.00 0.00 175.35 179.08 3goq h GLU 19 N 2.31 0.94 0.00 1.78 4.81 -1.98 -1.18 114.58 121.25 3goq h GLU 19 Ca -0.27 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3goq h GLU 19 Cb 1.25 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.42 3goq h GLU 19 CO 0.38 0.62 0.00 0.39 -0.73 0.00 0.00 179.01 179.67 3goq n GLU 20 N -4.49 0.03 0.05 1.92 4.71 -1.26 -2.03 120.64 119.57 3goq n GLU 20 Ca 0.13 0.30 0.13 0.00 -0.01 0.00 0.00 57.16 57.71 3goq n GLU 20 Cb 0.21 -1.56 0.32 0.00 -1.01 0.00 0.00 31.44 29.40 3goq n GLU 20 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3goq n ASP 21 N -1.61 0.59 -0.15 1.62 8.00 -0.45 -4.37 116.55 120.18 3goq n ASP 21 Ca 0.03 0.24 -0.03 0.00 0.71 0.00 0.00 54.79 55.74 3goq n ASP 21 Cb 0.16 -0.19 0.05 0.00 -0.02 0.00 0.00 41.12 41.12 3goq n ASP 21 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3goq h ILE 22 N 0.00 0.78 0.18 0.53 2.04 -1.51 -1.26 117.51 118.28 3goq h ILE 22 Ca 0.00 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.78 3goq h ILE 22 Cb 0.66 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 3goq h ILE 22 CO 0.00 0.05 -0.40 -0.08 0.00 0.00 0.00 178.15 177.72 3goq h GLU 23 N 0.27 -0.65 -0.23 2.37 4.81 -1.80 -0.76 114.58 118.59 3goq h GLU 23 Ca 0.23 0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.41 3goq h GLU 23 Cb 0.27 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3goq h GLU 23 CO -0.27 -0.43 -0.24 0.07 -0.73 0.00 0.00 179.01 177.41 3goq h ARG 24 N -0.68 0.43 -0.08 1.92 0.11 -1.80 0.05 114.38 114.34 3goq h ARG 24 Ca 0.01 -0.15 -0.01 0.00 0.10 0.00 0.00 59.98 59.93 3goq h ARG 24 Cb 0.68 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.72 3goq h ARG 24 CO -0.20 0.65 0.02 -0.92 0.10 0.00 0.00 179.97 179.62 3goq h TYR 25 N 0.39 0.13 0.00 4.08 3.20 -0.99 -1.45 116.97 122.32 3goq h TYR 25 Ca 0.06 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 3goq h TYR 25 Cb 0.63 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 3goq h TYR 25 CO 0.02 0.32 -0.43 1.88 -1.64 0.00 0.00 178.16 178.31 3goq h TYR 26 N -0.09 0.00 -0.57 -3.82 0.05 -1.02 -1.59 116.97 109.92 3goq h TYR 26 Ca 0.02 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 3goq h TYR 26 Cb 0.25 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.97 3goq h TYR 26 CO 0.01 0.43 0.24 1.15 -1.05 0.00 0.00 178.16 178.93 3goq h THR 27 N 0.00 1.22 -0.37 -2.88 2.02 -0.85 -0.67 112.91 111.38 3goq h THR 27 Ca -0.00 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 3goq h THR 27 Cb 0.99 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 3goq h THR 27 CO 0.06 0.26 0.12 -0.74 0.37 0.00 0.00 175.52 175.59 3goq h HIS 28 N 0.79 0.59 -0.80 3.16 -0.00 -0.78 -0.48 115.15 117.62 3goq h HIS 28 Ca 0.19 -0.06 0.04 0.00 -0.00 0.00 0.00 60.37 60.54 3goq h HIS 28 Cb 0.19 -0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 27.37 3goq h HIS 28 CO 0.01 0.56 0.51 0.82 -0.00 0.00 0.00 177.93 179.82 3goq h ILE 29 N 0.44 1.10 -0.18 6.26 2.04 -1.16 -1.89 117.51 124.13 3goq h ILE 29 Ca 0.12 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3goq h ILE 29 Cb 0.24 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3goq h ILE 29 CO -0.00 0.18 0.00 0.54 0.00 0.00 0.00 178.15 178.86 3goq n ARG 30 N -4.60 1.96 -3.53 2.37 1.74 -0.27 -4.89 116.66 109.44 3goq n ARG 30 Ca 0.10 -0.88 -0.20 0.00 -0.77 0.00 0.00 57.85 56.10 3goq n ARG 30 Cb 0.11 -1.57 0.08 0.00 -1.02 0.00 0.00 32.46 30.05 3goq n ARG 30 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3goq n ARG 31 N 0.17 -6.64 -0.30 5.56 1.74 -0.71 -2.76 116.66 113.71 3goq n ARG 31 Ca 0.08 0.80 0.00 0.00 -0.77 0.00 0.00 57.85 57.96 3goq n ARG 31 Cb 0.43 -5.76 0.00 0.00 -1.02 0.00 0.00 32.46 26.11 3goq n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3goq n GLY 32 N -1.41 0.69 3.40 -0.13 0.00 -0.25 -5.03 105.19 102.45 3goq n GLY 32 Ca -0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.36 3goq n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3goq s ARG 33 N -0.67 3.04 0.17 1.61 3.00 -1.11 -5.01 118.95 119.97 3goq s ARG 33 Ca 0.00 -1.22 -0.32 0.00 0.00 0.00 0.00 55.73 54.19 3goq s ARG 33 Cb 0.00 -4.16 -0.11 0.00 0.00 0.00 0.00 34.95 30.68 3goq s ARG 33 CO 0.00 -1.22 1.64 0.21 0.00 0.00 0.00 175.30 175.94 3goq s LYS 34 N 2.16 4.18 0.45 3.54 2.20 -1.26 -4.50 119.74 126.51 3goq s LYS 34 Ca 0.09 2.46 -0.25 0.00 -0.36 0.00 0.00 55.97 57.91 3goq s LYS 34 Cb -0.23 -3.18 -0.09 0.00 -1.51 0.00 0.00 37.83 32.83 3goq s LYS 34 CO 0.08 -0.68 1.39 -2.30 -0.36 0.00 0.00 175.35 173.47 3goq n PRO 35 N 4.17 2.14 -1.16 4.03 -0.02 -1.26 -4.99 135.00 137.91 3goq n PRO 35 Ca 0.15 0.76 -0.30 0.00 -2.02 0.00 0.00 63.50 62.09 3goq n PRO 35 Cb 0.37 -2.56 0.14 0.00 -0.02 0.00 0.00 33.50 31.43 3goq n PRO 35 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3goq s GLU 36 N -2.41 1.21 0.23 -0.52 0.41 -1.26 -4.72 118.70 111.64 3goq s GLU 36 Ca 0.62 0.87 -0.07 0.00 -0.41 0.00 0.00 54.97 55.97 3goq s GLU 36 Cb -0.46 -1.80 0.26 0.00 -1.78 0.00 0.00 34.13 30.35 3goq s GLU 36 CO 0.57 -2.29 1.87 -1.35 -0.49 0.00 0.00 175.26 173.57 3goq h PRO 37 N -1.59 1.00 -0.59 0.39 0.11 -1.99 -1.19 132.00 128.14 3goq h PRO 37 Ca -0.49 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.49 3goq h PRO 37 Cb 1.28 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 3goq h PRO 37 CO 0.54 0.66 0.12 0.93 -0.21 0.00 0.00 178.00 180.03 3goq h GLU 38 N 1.03 0.94 -0.46 1.05 4.39 -2.00 -1.51 114.58 118.02 3goq h GLU 38 Ca 0.34 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 3goq h GLU 38 Cb 0.03 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 3goq h GLU 38 CO -0.12 0.86 0.15 1.98 -1.16 0.00 0.00 179.01 180.72 3goq h MET 39 N 0.90 0.71 -0.96 2.33 4.05 -1.79 -0.79 114.93 119.39 3goq h MET 39 Ca 0.19 -0.15 0.06 0.00 -0.28 0.00 0.00 59.70 59.52 3goq h MET 39 Cb 0.36 -0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 30.99 3goq h MET 39 CO 0.00 0.68 0.61 -0.07 0.23 0.00 0.00 176.91 178.36 3goq h LEU 40 N 0.61 0.98 -0.37 3.39 3.38 -0.92 -0.27 115.31 122.12 3goq h LEU 40 Ca 0.15 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 3goq h LEU 40 Cb 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3goq h LEU 40 CO -0.01 0.63 -0.37 -0.61 0.09 0.00 0.00 178.44 178.18 3goq h GLN 41 N 1.12 0.90 -0.48 1.13 5.75 -1.11 -2.19 115.11 120.23 3goq h GLN 41 Ca 0.41 -0.47 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 3goq h GLN 41 Cb 0.15 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 3goq h GLN 41 CO -0.17 1.12 0.31 0.22 -2.65 0.00 0.00 178.83 177.67 3goq h ASP 42 N 0.71 0.56 -0.60 -0.69 3.58 -0.64 -0.78 116.42 118.56 3goq h ASP 42 Ca 0.06 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 3goq h ASP 42 Cb 0.96 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.84 3goq h ASP 42 CO 0.09 0.42 0.29 -0.07 -2.88 0.00 0.00 179.24 177.09 3goq h LEU 43 N 0.65 0.79 -0.46 2.28 3.38 -0.94 -0.74 115.31 120.28 3goq h LEU 43 Ca 0.18 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3goq h LEU 43 Cb -0.05 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3goq h LEU 43 CO -0.04 0.71 0.29 0.11 0.09 0.00 0.00 178.44 179.60 3goq h LYS 44 N 0.83 0.58 -0.92 1.13 1.57 -1.04 -1.16 116.57 117.55 3goq h LYS 44 Ca 0.21 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.00 3goq h LYS 44 Cb 0.13 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 3goq h LYS 44 CO -0.03 0.38 0.59 -0.44 -0.57 0.00 0.00 179.45 179.39 3goq h ASP 45 N 0.60 0.96 -0.34 0.86 3.32 -0.66 -1.24 116.42 119.92 3goq h ASP 45 Ca 0.17 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 3goq h ASP 45 Cb -0.05 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3goq h ASP 45 CO -0.05 0.64 0.09 0.03 -1.72 0.00 0.00 179.24 178.23 3goq h ARG 46 N 1.12 0.55 -0.68 3.56 3.08 -0.48 -0.90 114.38 120.62 3goq h ARG 46 Ca 0.38 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 3goq h ARG 46 Cb 0.08 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3goq h ARG 46 CO -0.14 0.60 0.33 1.88 -1.07 0.00 0.00 179.97 181.56 3goq h TYR 47 N 0.40 0.96 -0.51 3.04 0.05 -0.98 -2.15 116.97 117.78 3goq h TYR 47 Ca 0.11 -0.04 -0.09 0.00 0.05 0.00 0.00 58.73 58.76 3goq h TYR 47 Cb 0.29 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 3goq h TYR 47 CO 0.01 0.70 -0.04 1.49 -1.05 0.00 0.00 178.16 179.27 3goq h GLU 48 N 0.96 0.94 -0.90 4.88 4.81 -0.98 0.01 114.58 124.30 3goq h GLU 48 Ca 0.24 -0.32 0.03 0.00 -0.13 0.00 0.00 59.36 59.17 3goq h GLU 48 Cb 0.10 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 3goq h GLU 48 CO -0.03 0.98 0.60 0.00 -0.73 0.00 0.00 179.01 179.82 3goq h ALA 49 N 0.93 1.41 -0.04 2.92 0.00 -0.81 -2.09 119.26 121.58 3goq h ALA 49 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3goq h ALA 49 Cb 0.58 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3goq h ALA 49 CO 0.03 0.52 0.00 0.44 0.00 0.00 0.00 179.25 180.24 3goq n ILE 50 N -4.43 0.05 0.00 0.00 -5.35 -0.84 -4.90 119.36 103.89 3goq n ILE 50 Ca 0.12 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 3goq n ILE 50 Cb 0.08 -0.11 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 3goq n ILE 50 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3goq n GLY 51 N 0.91 0.96 0.00 3.28 0.00 -0.78 -5.01 105.19 104.55 3goq n GLY 51 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3goq n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3goq n GLY 52 N -1.69 1.79 0.13 -0.02 0.00 -0.02 -4.92 105.19 100.47 3goq n GLY 52 Ca 0.00 -2.01 -0.22 0.00 0.00 0.00 0.00 46.02 43.80 3goq n GLY 52 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3goq h ILE 53 N 0.00 0.75 -0.90 -0.61 2.04 -1.93 -3.40 117.51 113.46 3goq h ILE 53 Ca 0.00 -2.32 0.25 0.00 1.00 0.00 0.00 64.86 63.79 3goq h ILE 53 Cb 0.00 2.48 -0.16 0.00 -0.74 0.00 0.00 36.82 38.40 3goq h ILE 53 CO 0.00 0.75 0.15 -1.28 0.00 0.00 0.00 178.15 177.77 3goq h SER 54 N -0.21 -0.19 0.54 1.72 0.87 -1.87 0.07 113.55 114.50 3goq h SER 54 Ca -0.39 0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.36 3goq h SER 54 Cb 1.85 0.35 -0.01 0.00 -0.44 0.00 0.00 62.40 64.15 3goq h SER 54 CO 0.02 -0.24 -0.19 -0.65 -0.53 0.00 0.00 176.83 175.24 3goq h PRO 55 N 0.11 0.00 0.41 2.24 0.11 -1.92 -3.31 132.00 129.64 3goq h PRO 55 Ca 0.57 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.66 3goq h PRO 55 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3goq h PRO 55 CO -0.75 0.19 -0.20 -0.07 -0.21 0.00 0.00 178.00 176.96 3goq h LEU 56 N 0.00 -0.46 -1.25 2.35 3.38 -1.24 -2.93 115.31 115.16 3goq h LEU 56 Ca -0.00 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3goq h LEU 56 Cb 0.51 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3goq h LEU 56 CO 0.02 -0.29 -0.24 0.00 0.09 0.00 0.00 178.44 178.02 3goq h ALA 57 N -0.03 1.08 -0.18 1.53 0.00 -1.70 -2.49 119.26 117.48 3goq h ALA 57 Ca -0.06 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3goq h ALA 57 Cb 0.45 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3goq h ALA 57 CO 0.09 0.31 -0.05 0.37 0.00 0.00 0.00 179.25 179.97 3goq h GLN 58 N 0.00 0.27 -0.64 0.00 5.75 -1.61 -2.70 115.11 116.18 3goq h GLN 58 Ca -0.00 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 3goq h GLN 58 Cb 0.69 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.17 3goq h GLN 58 CO 0.03 0.34 0.31 0.82 -2.65 0.00 0.00 178.83 177.68 3goq h ILE 59 N 0.26 1.22 -0.31 2.39 2.04 -1.27 -0.32 117.51 121.52 3goq h ILE 59 Ca 0.06 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 3goq h ILE 59 Cb 0.26 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3goq h ILE 59 CO 0.01 0.25 0.06 0.74 0.00 0.00 0.00 178.15 179.22 3goq h THR 60 N 0.88 1.23 -0.58 -0.27 2.02 -1.61 0.12 112.91 114.70 3goq h THR 60 Ca 0.22 -0.77 0.03 0.00 0.77 0.00 0.00 66.41 66.66 3goq h THR 60 Cb 0.11 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 3goq h THR 60 CO -0.03 0.25 0.34 -0.08 0.37 0.00 0.00 175.52 176.37 3goq h GLU 61 N 0.34 0.64 -0.49 6.66 4.57 -1.31 -1.30 114.58 123.69 3goq h GLU 61 Ca 0.10 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.15 3goq h GLU 61 Cb 0.32 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 3goq h GLU 61 CO 0.00 0.42 -0.05 0.37 -1.18 0.00 0.00 179.01 178.58 3goq h GLN 62 N 0.66 0.85 -0.23 1.92 5.75 -0.55 -1.24 115.11 122.27 3goq h GLN 62 Ca 0.24 -0.26 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3goq h GLN 62 Cb 0.06 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 3goq h GLN 62 CO -0.12 0.88 0.13 1.96 -2.65 0.00 0.00 178.83 179.03 3goq h GLN 63 N 0.78 0.32 -0.47 1.69 4.20 -0.34 -0.19 115.11 121.10 3goq h GLN 63 Ca 0.14 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 3goq h GLN 63 Cb 0.53 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3goq h GLN 63 CO 0.03 0.28 -0.00 0.00 -0.67 0.00 0.00 178.83 178.46 3goq h ALA 64 N 1.03 0.64 -0.32 3.87 0.00 -0.92 -0.77 119.26 122.79 3goq h ALA 64 Ca 0.08 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3goq h ALA 64 Cb 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3goq h ALA 64 CO -0.01 0.44 -0.12 0.45 0.00 0.00 0.00 179.25 180.01 3goq h HIS 65 N 0.69 0.73 -0.46 0.00 3.86 -1.19 -1.00 115.15 117.79 3goq h HIS 65 Ca 0.13 -0.17 -0.10 0.00 -1.16 0.00 0.00 60.37 59.07 3goq h HIS 65 Cb 0.51 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 3goq h HIS 65 CO 0.04 0.84 -0.12 -0.91 0.86 0.00 0.00 177.93 178.64 3goq h ASN 66 N 0.41 0.83 -0.25 2.45 4.21 -0.98 -1.25 115.58 121.00 3goq h ASN 66 Ca 0.08 -0.26 0.01 0.00 1.21 0.00 0.00 56.30 57.34 3goq h ASN 66 Cb 0.63 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.59 3goq h ASN 66 CO 0.04 0.97 0.14 0.25 -1.29 0.00 0.00 177.43 177.54 3goq h LEU 67 N 0.75 0.22 -0.24 1.61 5.85 -0.97 0.15 115.31 122.70 3goq h LEU 67 Ca 0.12 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.90 3goq h LEU 67 Cb 0.62 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 3goq h LEU 67 CO 0.04 0.17 -0.14 -0.08 -0.34 0.00 0.00 178.44 178.09 3goq h GLU 68 N 0.29 -0.12 -0.35 1.25 4.81 -0.89 0.19 114.58 119.76 3goq h GLU 68 Ca 0.10 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 3goq h GLU 68 Cb 0.00 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3goq h GLU 68 CO -0.05 -0.08 -0.03 0.37 -0.73 0.00 0.00 179.01 178.49 3goq h GLN 69 N -0.12 0.65 -0.23 1.92 4.15 -1.04 -1.93 115.11 118.50 3goq h GLN 69 Ca 0.13 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 3goq h GLN 69 Cb 0.32 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 3goq h GLN 69 CO -0.31 0.78 0.09 1.25 -1.93 0.00 0.00 178.83 178.71 3goq h HIS 70 N 0.45 0.36 -0.78 3.99 2.76 -0.84 -2.05 115.15 119.04 3goq h HIS 70 Ca 0.10 -0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.36 3goq h HIS 70 Cb 0.51 -0.11 -0.08 0.00 1.55 0.00 0.00 27.41 29.28 3goq h HIS 70 CO 0.04 0.40 0.38 -0.07 -1.30 0.00 0.00 177.93 177.38 3goq h LEU 71 N 0.22 0.46 -1.39 0.26 3.38 -0.87 -1.86 115.31 115.50 3goq h LEU 71 Ca 0.08 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 3goq h LEU 71 Cb 0.19 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3goq h LEU 71 CO -0.01 0.23 -0.25 0.78 0.09 0.00 0.00 178.44 179.28 3goq h ASN 72 N 0.59 0.00 0.68 -0.43 2.35 -1.06 -3.19 115.58 114.52 3goq h ASN 72 Ca 0.40 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.89 3goq h ASN 72 Cb 0.52 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.85 3goq h ASN 72 CO -0.33 0.25 -1.42 -0.33 -1.65 0.00 0.00 177.43 173.95 3goq h GLU 73 N 0.00 0.03 -0.00 0.81 5.08 -0.76 -3.39 114.58 116.35 3goq h GLU 73 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3goq h GLU 73 Cb 0.61 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3goq h GLU 73 CO 0.03 0.76 -0.49 0.44 -1.00 0.00 0.00 179.01 178.75 3goq n ILE 74 N -3.21 0.00 -4.04 3.13 -5.35 -0.76 -4.90 119.36 104.24 3goq n ILE 74 Ca -0.10 -0.05 -0.09 0.00 -0.27 0.00 0.00 62.75 62.24 3goq n ILE 74 Cb 1.01 0.42 -0.09 0.00 -1.74 0.00 0.00 39.64 39.24 3goq n ILE 74 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3goq s GLN 75 N -2.84 0.93 0.00 6.28 1.03 -1.23 -5.09 119.66 118.75 3goq s GLN 75 Ca 0.15 -1.26 0.00 0.00 0.04 0.00 0.00 55.36 54.29 3goq s GLN 75 Cb 0.18 0.29 0.00 0.00 0.03 0.00 0.00 33.01 33.51 3goq s GLN 75 CO 0.66 -0.29 0.91 -0.25 -2.54 0.00 0.00 175.29 173.79 3goq n ASP 76 N -0.09 1.74 -0.10 12.60 8.00 -1.26 -4.74 116.55 132.70 3goq n ASP 76 Ca -0.09 -1.83 -0.14 0.00 0.71 0.00 0.00 54.79 53.45 3goq n ASP 76 Cb 0.63 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.59 3goq n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3goq n GLU 77 N -0.41 0.67 -4.98 -1.24 -0.58 -1.26 -4.83 120.64 108.02 3goq n GLU 77 Ca 0.00 0.09 -0.27 0.00 -0.42 0.00 0.00 57.16 56.56 3goq n GLU 77 Cb 0.25 -1.55 -0.15 0.00 -0.57 0.00 0.00 31.44 29.41 3goq n GLU 77 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3goq s ILE 78 N -2.51 1.62 -0.25 -3.67 1.01 -1.26 -1.48 121.20 114.65 3goq s ILE 78 Ca -0.20 -0.90 -0.07 0.00 0.00 0.00 0.00 60.65 59.48 3goq s ILE 78 Cb 0.07 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 3goq s ILE 78 CO 0.74 0.44 0.07 -0.89 0.00 0.00 0.00 174.94 175.29 3goq s THR 79 N -0.50 4.24 0.09 2.92 2.01 0.30 -4.78 115.64 119.92 3goq s THR 79 Ca 0.08 -0.23 -0.10 0.00 0.31 0.00 0.00 61.69 61.75 3goq s THR 79 Cb -0.08 -3.00 -0.06 0.00 0.01 0.00 0.00 72.50 69.37 3goq s THR 79 CO -0.01 0.32 0.42 -0.36 -0.69 0.00 0.00 174.62 174.30 3goq s PHE 80 N 1.60 3.58 -0.16 4.92 0.08 -1.26 -1.20 117.98 125.55 3goq s PHE 80 Ca 0.06 0.81 0.00 0.00 0.12 0.00 0.00 56.93 57.93 3goq s PHE 80 Cb -0.15 -2.18 0.03 0.00 -0.57 0.00 0.00 43.02 40.15 3goq s PHE 80 CO 0.03 0.51 -0.13 0.21 -0.10 0.00 0.00 175.22 175.74 3goq s LYS 81 N -1.93 2.18 0.25 0.44 2.20 -0.49 -4.95 119.74 117.44 3goq s LYS 81 Ca 0.34 -0.59 -0.30 0.00 -0.36 0.00 0.00 55.97 55.06 3goq s LYS 81 Cb -0.14 -2.13 -0.09 0.00 -1.51 0.00 0.00 37.83 33.96 3goq s LYS 81 CO 0.18 -0.28 1.08 0.00 -0.36 0.00 0.00 175.35 175.97 3goq s ALA 82 N 1.49 3.39 -0.05 3.13 0.00 -1.26 -0.85 121.76 127.61 3goq s ALA 82 Ca 0.04 0.84 0.01 0.00 0.00 0.00 0.00 51.96 52.85 3goq s ALA 82 Cb -0.13 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.69 3goq s ALA 82 CO -0.10 -0.13 -0.05 0.71 0.00 0.00 0.00 175.76 176.19 3goq s TYR 83 N -0.93 0.84 -0.14 0.00 1.51 0.18 -4.90 117.35 113.92 3goq s TYR 83 Ca 0.45 -0.26 -0.16 0.00 -1.01 0.00 0.00 57.07 56.09 3goq s TYR 83 Cb -0.31 -0.74 -0.04 0.00 -0.11 0.00 0.00 41.96 40.76 3goq s TYR 83 CO 0.38 -0.22 0.40 0.42 -1.11 0.00 0.00 175.55 175.42 3goq s ILE 84 N 1.01 5.24 -0.12 2.71 1.01 -1.26 -0.97 121.20 128.81 3goq s ILE 84 Ca -0.09 0.78 -0.00 0.00 0.00 0.00 0.00 60.65 61.34 3goq s ILE 84 Cb -0.14 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.61 3goq s ILE 84 CO -0.00 0.35 -0.09 -0.83 0.00 0.00 0.00 174.94 174.37 3goq s GLY 85 N 0.58 0.89 0.16 6.18 0.00 -0.32 -4.61 107.32 110.21 3goq s GLY 85 Ca 0.22 -0.63 0.08 0.00 0.00 0.00 0.00 44.72 44.39 3goq s GLY 85 CO 0.08 0.75 -0.09 1.08 0.00 0.00 0.00 173.10 174.92 3goq s LEU 86 N 1.66 3.02 -0.08 0.66 1.43 0.52 -2.56 118.68 123.33 3goq s LEU 86 Ca 0.05 -0.52 -0.25 0.00 -1.03 0.00 0.00 54.13 52.39 3goq s LEU 86 Cb -0.13 -1.73 -0.29 0.00 0.03 0.00 0.00 46.19 44.07 3goq s LEU 86 CO -0.09 0.12 0.85 0.50 0.23 0.00 0.00 176.35 177.96 3goq h LYS 87 N 3.04 0.19 -0.04 1.70 1.63 -1.23 -1.88 116.57 119.98 3goq h LYS 87 Ca -0.47 -0.32 0.00 0.00 -0.85 0.00 0.00 60.65 59.01 3goq h LYS 87 Cb 1.20 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.94 3goq h LYS 87 CO 0.54 1.15 0.00 0.72 -3.45 0.00 0.00 179.45 178.41 3goq n HIS 88 N -4.31 0.04 -3.62 1.91 8.25 -0.53 -4.91 115.22 112.06 3goq n HIS 88 Ca -0.12 -0.05 -0.10 0.00 -0.26 0.00 0.00 57.72 57.19 3goq n HIS 88 Cb 0.69 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.77 3goq n HIS 88 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3goq s ILE 89 N -0.90 0.03 0.54 1.59 2.07 -1.26 -4.66 121.20 118.61 3goq s ILE 89 Ca 0.13 -0.49 -0.21 0.00 -1.41 0.00 0.00 60.65 58.67 3goq s ILE 89 Cb 0.09 -1.32 -0.05 0.00 0.13 0.00 0.00 42.46 41.31 3goq s ILE 89 CO 0.13 -0.12 1.30 -1.61 -1.91 0.00 0.00 174.94 172.74 3goq s GLU 90 N -3.82 3.18 -0.15 3.50 8.01 -1.26 -3.65 118.70 124.51 3goq s GLU 90 Ca 0.05 2.10 -0.29 0.00 0.01 0.00 0.00 54.97 56.83 3goq s GLU 90 Cb -0.01 -2.21 -0.01 0.00 -4.31 0.00 0.00 34.13 27.59 3goq s GLU 90 CO -0.08 -1.12 1.16 -1.25 0.01 0.00 0.00 175.26 173.99 3goq s PRO 91 N -2.96 4.29 0.72 0.39 0.04 -1.26 -4.97 135.00 131.24 3goq s PRO 91 Ca 0.72 1.55 -0.12 0.00 0.04 0.00 0.00 61.00 63.20 3goq s PRO 91 Cb -0.37 -3.66 0.02 0.00 0.04 0.00 0.00 34.50 30.53 3goq s PRO 91 CO 0.43 -0.59 1.08 -0.06 0.04 0.00 0.00 177.00 177.90 3goq s PHE 92 N 2.98 2.81 0.21 0.56 0.08 -1.24 -0.36 117.98 123.02 3goq s PHE 92 Ca 0.51 1.50 -0.10 0.00 0.12 0.00 0.00 56.93 58.97 3goq s PHE 92 Cb -0.20 -3.00 0.29 0.00 -0.57 0.00 0.00 43.02 39.54 3goq s PHE 92 CO 0.14 -1.52 1.72 0.82 -0.10 0.00 0.00 175.22 176.28 3goq h ILE 93 N -0.71 0.71 -0.44 0.64 2.04 -1.59 -1.36 117.51 116.79 3goq h ILE 93 Ca -0.44 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.24 3goq h ILE 93 Cb 1.22 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3goq h ILE 93 CO 0.54 0.06 0.00 -0.33 0.00 0.00 0.00 178.15 178.43 3goq h GLU 94 N 0.33 0.72 -0.27 2.37 5.08 -1.89 -2.02 114.58 118.90 3goq h GLU 94 Ca 0.31 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3goq h GLU 94 Cb 0.43 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3goq h GLU 94 CO -0.35 0.73 0.15 -0.44 -1.00 0.00 0.00 179.01 178.10 3goq h ASP 95 N 0.68 0.24 -0.71 1.42 3.32 -1.65 -1.99 116.42 117.73 3goq h ASP 95 Ca 0.14 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 3goq h ASP 95 Cb 0.41 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 3goq h ASP 95 CO 0.02 0.18 0.26 0.00 -1.72 0.00 0.00 179.24 177.98 3goq h ALA 96 N 1.12 0.93 -0.20 3.45 0.00 -0.77 -0.67 119.26 123.12 3goq h ALA 96 Ca 0.11 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3goq h ALA 96 Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3goq h ALA 96 CO -0.06 0.57 -0.09 0.28 0.00 0.00 0.00 179.25 179.95 3goq h VAL 97 N 1.03 1.30 -0.87 0.00 2.07 -1.31 -1.05 116.25 117.42 3goq h VAL 97 Ca 0.23 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.66 3goq h VAL 97 Cb 0.24 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3goq h VAL 97 CO -0.02 0.34 0.57 0.00 0.02 0.00 0.00 177.57 178.49 3goq h ALA 98 N 0.71 1.48 -0.23 1.67 0.00 -1.19 -1.53 119.26 120.17 3goq h ALA 98 Ca 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3goq h ALA 98 Cb 0.57 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3goq h ALA 98 CO 0.03 0.42 -0.01 1.49 0.00 0.00 0.00 179.25 181.17 3goq h GLU 99 N 1.06 0.41 -0.71 0.00 4.81 -0.87 -0.89 114.58 118.39 3goq h GLU 99 Ca 0.36 -0.14 0.14 0.00 -0.13 0.00 0.00 59.36 59.59 3goq h GLU 99 Cb 0.08 -0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.33 3goq h GLU 99 CO -0.11 0.61 0.20 0.52 -0.73 0.00 0.00 179.01 179.49 3goq h MET 100 N 0.17 0.30 -0.22 1.92 2.86 -0.70 -0.44 114.93 118.82 3goq h MET 100 Ca 0.06 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 3goq h MET 100 Cb 0.43 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 3goq h MET 100 CO 0.01 0.20 0.02 1.25 1.06 0.00 0.00 176.91 179.45 3goq h HIS 101 N 0.31 0.40 -0.78 -0.22 -0.00 -1.08 -1.59 115.15 112.18 3goq h HIS 101 Ca 0.39 -0.06 0.12 0.00 -0.00 0.00 0.00 60.37 60.82 3goq h HIS 101 Cb 0.63 -0.11 -0.08 0.00 -0.00 0.00 0.00 27.41 27.85 3goq h HIS 101 CO -0.23 0.53 0.39 -0.22 -0.00 0.00 0.00 177.93 178.40 3goq h LYS 102 N 0.15 0.60 0.00 5.26 3.64 -0.72 -1.67 116.57 123.83 3goq h LYS 102 Ca 0.06 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3goq h LYS 102 Cb 0.36 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3goq h LYS 102 CO 0.01 0.39 0.00 -0.25 -2.27 0.00 0.00 179.45 177.33 3goq n ASP 103 N -4.87 0.00 0.00 4.20 8.00 -0.21 -4.88 116.55 118.79 3goq n ASP 103 Ca 0.14 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.99 3goq n ASP 103 Cb 0.35 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 3goq n ASP 103 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3goq n GLY 104 N 0.77 0.71 3.73 0.44 0.00 -0.63 -5.04 105.19 105.18 3goq n GLY 104 Ca 0.18 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3goq n GLY 104 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3goq s ILE 105 N -2.00 3.19 -0.05 -0.61 -1.09 -0.63 -4.91 121.20 115.10 3goq s ILE 105 Ca 0.00 0.94 0.02 0.00 -2.23 0.00 0.00 60.65 59.38 3goq s ILE 105 Cb 0.00 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.26 3goq s ILE 105 CO 0.00 0.12 0.06 0.35 -1.23 0.00 0.00 174.94 174.24 3goq n THR 106 N 3.06 0.00 -4.05 2.92 -2.24 -1.26 -4.45 114.28 108.26 3goq n THR 106 Ca 0.08 -0.27 -0.19 0.00 -2.27 0.00 0.00 64.05 61.40 3goq n THR 106 Cb 0.42 0.75 -0.16 0.00 -2.10 0.00 0.00 70.33 69.24 3goq n THR 106 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3goq s GLU 107 N -1.62 0.61 0.05 -0.78 2.12 -1.26 -1.71 118.70 116.11 3goq s GLU 107 Ca 0.00 -0.02 -0.02 0.00 0.36 0.00 0.00 54.97 55.29 3goq s GLU 107 Cb 0.01 -0.71 -0.04 0.00 0.26 0.00 0.00 34.13 33.66 3goq s GLU 107 CO 0.08 -0.12 -0.01 0.00 -0.54 0.00 0.00 175.26 174.68 3goq s ALA 108 N 1.03 0.42 -0.02 6.30 0.00 -0.15 -1.11 121.76 128.24 3goq s ALA 108 Ca -0.10 -1.13 0.07 0.00 0.00 0.00 0.00 51.96 50.80 3goq s ALA 108 Cb -0.14 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 3goq s ALA 108 CO -0.01 -0.38 -0.22 0.54 0.00 0.00 0.00 175.76 175.69 3goq s VAL 109 N -3.84 1.72 0.19 0.00 0.11 -0.37 -1.37 120.40 116.83 3goq s VAL 109 Ca 0.06 -0.93 0.10 0.00 -2.93 0.00 0.00 61.98 58.29 3goq s VAL 109 Cb 0.07 -1.43 -0.04 0.00 -1.53 0.00 0.00 36.38 33.45 3goq s VAL 109 CO -0.10 0.49 -0.19 -0.94 -3.33 0.00 0.00 175.10 171.03 3goq s SER 110 N -0.51 3.73 -0.11 3.54 1.04 0.11 -0.97 113.70 120.53 3goq s SER 110 Ca 0.08 -0.76 -0.08 0.00 0.48 0.00 0.00 55.95 55.67 3goq s SER 110 Cb -0.08 -0.42 0.04 0.00 0.10 0.00 0.00 66.02 65.65 3goq s SER 110 CO -0.01 0.11 0.27 -0.51 0.98 0.00 0.00 173.24 174.09 3goq s ILE 111 N -1.69 -0.02 -0.10 -1.02 2.07 -0.39 -0.87 121.20 119.18 3goq s ILE 111 Ca 0.22 0.07 -0.09 0.00 -1.41 0.00 0.00 60.65 59.44 3goq s ILE 111 Cb -0.08 -0.40 -0.04 0.00 0.13 0.00 0.00 42.46 42.06 3goq s ILE 111 CO 0.12 0.03 0.21 -0.69 -1.91 0.00 0.00 174.94 172.70 3goq s VAL 112 N 0.75 5.38 -1.42 4.00 1.01 -1.26 -1.11 120.40 127.75 3goq s VAL 112 Ca -0.05 0.37 -0.08 0.00 0.00 0.00 0.00 61.98 62.22 3goq s VAL 112 Cb -0.06 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 3goq s VAL 112 CO -0.05 0.59 2.77 0.18 0.00 0.00 0.00 175.10 178.59 3goq n LEU 113 N 2.14 8.31 -3.58 3.92 4.77 0.47 -4.60 117.00 128.43 3goq n LEU 113 Ca -0.18 -4.51 -0.02 0.00 -0.03 0.00 0.00 56.01 51.27 3goq n LEU 113 Cb 0.54 -1.47 -0.05 0.00 -2.33 0.00 0.00 43.42 40.11 3goq n LEU 113 CO 0.33 2.05 0.19 0.00 -1.33 0.00 0.00 177.39 178.63 3goq s ALA 114 N 0.77 -1.85 -0.05 -1.18 0.00 -1.26 -4.59 121.76 113.60 3goq s ALA 114 Ca 0.64 2.06 0.31 0.00 0.00 0.00 0.00 51.96 54.96 3goq s ALA 114 Cb 0.19 -1.72 1.07 0.00 0.00 0.00 0.00 23.12 22.66 3goq s ALA 114 CO -0.08 -0.95 1.88 -1.00 0.00 0.00 0.00 175.76 175.61 3goq h PRO 115 N 8.04 0.00 -5.53 0.00 0.13 -1.81 -3.44 132.00 129.39 3goq h PRO 115 Ca -0.18 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.31 3goq h PRO 115 Cb 1.11 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.12 3goq h PRO 115 CO 0.13 0.00 -0.53 -1.01 -0.23 0.00 0.00 178.00 176.37 3goq s HIS 116 N -3.54 3.39 0.24 1.56 3.76 -1.26 -1.03 115.29 118.41 3goq s HIS 116 Ca 0.03 0.31 -0.30 0.00 -0.15 0.00 0.00 55.06 54.95 3goq s HIS 116 Cb 0.08 -1.99 -0.10 0.00 1.11 0.00 0.00 32.58 31.68 3goq s HIS 116 CO 0.58 0.45 1.42 0.12 -0.85 0.00 0.00 174.74 176.46 3goq s PHE 117 N -0.36 3.07 0.06 1.40 2.19 -1.24 -4.81 117.98 118.28 3goq s PHE 117 Ca 0.10 1.06 -0.03 0.00 0.33 0.00 0.00 56.93 58.39 3goq s PHE 117 Cb -0.12 -3.78 -0.03 0.00 -1.31 0.00 0.00 43.02 37.79 3goq s PHE 117 CO 0.01 -2.52 0.04 -1.54 1.83 0.00 0.00 175.22 173.04 3goq s SER 118 N 0.37 0.38 0.35 6.13 1.04 -1.26 -3.21 113.70 117.50 3goq s SER 118 Ca 0.59 -0.91 0.17 0.00 0.48 0.00 0.00 55.95 56.28 3goq s SER 118 Cb -0.41 0.24 0.60 0.00 0.10 0.00 0.00 66.02 66.56 3goq s SER 118 CO 0.42 -0.64 1.70 0.71 0.98 0.00 0.00 173.24 176.41 3goq h THR 119 N 3.03 0.97 0.06 2.02 1.35 -1.96 -0.38 112.91 117.99 3goq h THR 119 Ca -0.34 -1.65 -0.14 0.00 -0.55 0.00 0.00 66.41 63.73 3goq h THR 119 Cb 1.16 1.98 0.01 0.00 -1.73 0.00 0.00 68.15 69.58 3goq h THR 119 CO 0.63 0.41 -0.60 0.15 -0.25 0.00 0.00 175.52 175.86 3goq h PHE 120 N 0.00 0.50 0.00 4.73 3.04 -1.97 -3.26 116.94 119.98 3goq h PHE 120 Ca -0.00 -0.31 0.00 0.00 3.98 0.00 0.00 57.97 61.64 3goq h PHE 120 Cb 0.95 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.42 3goq h PHE 120 CO 0.00 1.17 0.00 -1.13 -2.02 0.00 0.00 178.31 176.33 3goq n SER 121 N -4.25 0.00 0.01 0.41 3.41 -1.24 -4.43 113.62 107.53 3goq n SER 121 Ca -0.12 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.39 3goq n SER 121 Cb 0.70 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.61 3goq n SER 121 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3goq h VAL 122 N 0.00 0.35 -0.85 -3.33 2.07 -1.81 0.55 116.25 113.24 3goq h VAL 122 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 3goq h VAL 122 Cb 0.00 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.08 3goq h VAL 122 CO 0.00 0.00 0.56 -0.61 0.02 0.00 0.00 177.57 177.54 3goq h GLN 123 N -0.36 1.01 -0.55 1.57 4.15 -1.27 -1.09 115.11 118.57 3goq h GLN 123 Ca 0.10 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.36 3goq h GLN 123 Cb 0.50 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 3goq h GLN 123 CO -0.32 0.67 -0.02 1.03 -1.93 0.00 0.00 178.83 178.26 3goq h SER 124 N 1.04 0.97 -0.12 -0.69 0.87 -1.02 -0.15 113.55 114.46 3goq h SER 124 Ca 0.34 -0.31 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3goq h SER 124 Cb 0.04 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 3goq h SER 124 CO -0.10 1.05 0.07 1.88 -0.53 0.00 0.00 176.83 179.20 3goq h TYR 125 N 0.87 0.16 -0.62 2.24 -1.99 -0.56 -1.47 116.97 115.60 3goq h TYR 125 Ca 0.16 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.86 3goq h TYR 125 Cb 0.56 -0.05 -0.03 0.00 2.00 0.00 0.00 36.73 39.21 3goq h TYR 125 CO 0.04 0.14 0.28 -0.91 -0.00 0.00 0.00 178.16 177.71 3goq h ASN 126 N 0.13 0.83 -0.62 3.88 2.35 -1.08 -1.50 115.58 119.57 3goq h ASN 126 Ca 0.04 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.62 3goq h ASN 126 Cb 0.03 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 3goq h ASN 126 CO -0.01 0.74 0.26 0.11 -1.65 0.00 0.00 177.43 176.89 3goq h LYS 127 N 0.86 0.91 -0.55 0.81 1.57 -0.91 -1.48 116.57 117.77 3goq h LYS 127 Ca 0.21 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3goq h LYS 127 Cb 0.15 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3goq h LYS 127 CO -0.02 0.76 0.23 0.00 -0.57 0.00 0.00 179.45 179.84 3goq h ARG 128 N 0.86 0.83 -0.37 3.15 3.08 -0.98 0.21 114.38 121.16 3goq h ARG 128 Ca 0.21 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3goq h ARG 128 Cb 0.18 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3goq h ARG 128 CO -0.02 0.71 0.16 0.00 -1.07 0.00 0.00 179.97 179.76 3goq h ALA 129 N 1.07 0.48 -0.19 0.04 0.00 -1.15 -2.08 119.26 117.44 3goq h ALA 129 Ca 0.19 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3goq h ALA 129 Cb 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3goq h ALA 129 CO -0.02 0.06 -0.34 0.87 0.00 0.00 0.00 179.25 179.82 3goq h LYS 130 N 0.45 0.39 -0.32 0.00 1.57 -1.03 -2.13 116.57 115.50 3goq h LYS 130 Ca 0.13 -0.17 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 3goq h LYS 130 Cb 0.15 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3goq h LYS 130 CO -0.01 0.68 -0.40 0.93 -0.57 0.00 0.00 179.45 180.07 3goq h GLU 131 N 0.33 0.78 -0.42 3.15 5.08 -0.78 -0.83 114.58 121.90 3goq h GLU 131 Ca 0.04 -0.41 -0.13 0.00 -1.00 0.00 0.00 59.36 57.85 3goq h GLU 131 Cb 0.76 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3goq h GLU 131 CO 0.06 1.04 -0.26 1.49 -1.00 0.00 0.00 179.01 180.34 3goq h GLU 132 N 0.64 0.92 -0.97 2.33 4.57 -1.25 -1.38 114.58 119.43 3goq h GLU 132 Ca 0.05 -0.43 0.02 0.00 -1.18 0.00 0.00 59.36 57.83 3goq h GLU 132 Cb 0.96 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.49 3goq h GLU 132 CO 0.09 1.08 0.64 0.00 -1.18 0.00 0.00 179.01 179.64 3goq h ALA 133 N 0.81 1.34 -0.48 2.92 0.00 -1.21 -2.05 119.26 120.60 3goq h ALA 133 Ca 0.09 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3goq h ALA 133 Cb 0.84 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3goq h ALA 133 CO 0.07 0.59 -0.22 1.49 0.00 0.00 0.00 179.25 181.18 3goq h GLU 134 N 1.27 0.98 -0.61 0.00 4.81 -0.91 0.12 114.58 120.24 3goq h GLU 134 Ca 0.37 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3goq h GLU 134 Cb -0.07 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 3goq h GLU 134 CO -0.10 1.09 0.34 -0.22 -0.73 0.00 0.00 179.01 179.39 3goq h LYS 135 N 0.84 0.84 0.06 1.92 3.64 -0.86 -2.98 116.57 120.03 3goq h LYS 135 Ca 0.11 -0.08 -0.28 0.00 -1.27 0.00 0.00 60.65 59.13 3goq h LYS 135 Cb 0.79 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 3goq h LYS 135 CO 0.07 0.61 -1.45 -0.07 -2.27 0.00 0.00 179.45 176.34 3goq h LEU 136 N 0.85 0.19 -0.04 5.20 3.38 -1.16 -3.51 115.31 120.22 3goq h LEU 136 Ca 0.22 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3goq h LEU 136 Cb 0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3goq h LEU 136 CO -0.04 1.23 -0.08 0.61 0.09 0.00 0.00 178.44 180.25 3goq n GLY 137 N 1.56 -2.34 2.50 0.83 0.00 0.39 -4.94 105.19 103.19 3goq n GLY 137 Ca -0.13 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 3goq n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3goq n GLY 138 N -2.39 1.14 2.97 -0.02 0.00 -1.26 -4.93 105.19 100.69 3goq n GLY 138 Ca -0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 3goq n GLY 138 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3goq s LEU 139 N -2.41 0.48 0.11 0.99 2.96 -1.26 -4.55 118.68 115.00 3goq s LEU 139 Ca 0.00 0.40 0.10 0.00 -0.22 0.00 0.00 54.13 54.41 3goq s LEU 139 Cb 0.00 0.50 -0.04 0.00 0.50 0.00 0.00 46.19 47.16 3goq s LEU 139 CO 0.00 -0.17 -0.25 0.42 -1.32 0.00 0.00 176.35 175.03 3goq s THR 140 N 1.38 2.37 -0.09 3.68 -4.23 -0.69 -4.64 115.64 113.41 3goq s THR 140 Ca -0.08 -1.62 0.02 0.00 -1.18 0.00 0.00 61.69 58.83 3goq s THR 140 Cb -0.11 -2.03 0.01 0.00 1.34 0.00 0.00 72.50 71.71 3goq s THR 140 CO -0.07 0.15 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.38 3goq s ILE 141 N -1.02 1.40 -0.22 2.99 1.01 -1.26 -0.97 121.20 123.13 3goq s ILE 141 Ca 0.14 -0.61 -0.11 0.00 0.00 0.00 0.00 60.65 60.08 3goq s ILE 141 Cb -0.10 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 3goq s ILE 141 CO 0.06 0.42 0.16 -0.89 0.00 0.00 0.00 174.94 174.69 3goq s THR 142 N 0.83 5.37 -0.19 2.92 2.01 -0.47 -4.98 115.64 121.13 3goq s THR 142 Ca -0.10 0.22 -0.02 0.00 0.31 0.00 0.00 61.69 62.09 3goq s THR 142 Cb -0.15 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 3goq s THR 142 CO 0.01 0.39 -0.08 -0.44 -0.69 0.00 0.00 174.62 173.81 3goq s SER 143 N 0.70 4.15 0.28 3.53 0.01 -1.26 -0.72 113.70 120.39 3goq s SER 143 Ca 0.09 -0.38 -0.30 0.00 1.31 0.00 0.00 55.95 56.67 3goq s SER 143 Cb -0.12 -1.68 -0.10 0.00 0.21 0.00 0.00 66.02 64.32 3goq s SER 143 CO 0.02 0.04 1.46 -0.69 0.41 0.00 0.00 173.24 174.48 3goq s VAL 144 N 1.08 2.49 -0.19 3.43 1.01 -0.05 -4.94 120.40 123.22 3goq s VAL 144 Ca 0.01 0.43 0.06 0.00 0.00 0.00 0.00 61.98 62.47 3goq s VAL 144 Cb -0.15 -3.27 -0.16 0.00 0.00 0.00 0.00 36.38 32.81 3goq s VAL 144 CO -0.01 0.08 -0.11 -0.62 0.00 0.00 0.00 175.10 174.43 3goq n GLU 145 N 1.94 0.78 -3.54 2.72 1.02 -1.26 -4.57 120.64 117.72 3goq n GLU 145 Ca 0.06 0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 57.15 3goq n GLU 145 Cb 0.40 -1.42 -0.04 0.00 -0.02 0.00 0.00 31.44 30.36 3goq n GLU 145 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3goq s SER 146 N -5.71 -0.43 0.00 1.62 1.04 -1.26 -3.67 113.70 105.29 3goq s SER 146 Ca -0.22 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.20 3goq s SER 146 Cb 0.06 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3goq s SER 146 CO 0.54 -0.84 0.54 -2.67 0.98 0.00 0.00 173.24 171.80 3goq n TRP 147 N -0.02 0.00 0.28 5.02 4.27 -0.20 -4.92 117.44 121.87 3goq n TRP 147 Ca -0.17 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 53.59 3goq n TRP 147 Cb 0.63 0.12 0.80 0.00 -1.36 0.00 0.00 31.31 31.50 3goq n TRP 147 CO 0.00 0.00 0.00 0.10 -2.29 0.00 0.00 177.69 175.50 3goq h TYR 148 N 0.00 0.00 -0.49 -2.67 -0.00 -1.78 -2.13 116.97 109.90 3goq h TYR 148 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3goq h TYR 148 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.84 3goq h TYR 148 CO -0.10 0.08 0.00 -0.40 -0.00 0.00 0.00 178.16 177.74 3goq n ASP 149 N -3.49 3.51 -4.67 0.10 5.75 -1.26 -4.50 116.55 111.98 3goq n ASP 149 Ca -0.02 -1.99 -0.42 0.00 -0.01 0.00 0.00 54.79 52.36 3goq n ASP 149 Cb 0.22 -0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 39.96 3goq n ASP 149 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3goq s GLU 150 N -1.37 4.14 0.43 0.11 2.56 -0.80 -4.87 118.70 118.91 3goq s GLU 150 Ca 0.41 2.58 0.11 0.00 0.00 0.00 0.00 54.97 58.08 3goq s GLU 150 Cb 0.23 -3.94 0.99 0.00 2.00 0.00 0.00 34.13 33.41 3goq s GLU 150 CO 0.32 -0.90 2.03 -1.35 -0.56 0.00 0.00 175.26 174.79 3goq h PRO 151 N 9.77 0.42 0.00 4.30 0.11 -1.91 -0.19 132.00 144.49 3goq h PRO 151 Ca -0.48 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 3goq h PRO 151 Cb 1.23 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3goq h PRO 151 CO 0.94 0.28 -0.36 0.87 -0.21 0.00 0.00 178.00 179.52 3goq h LYS 152 N 0.43 0.00 0.01 1.05 1.57 -1.93 0.21 116.57 117.91 3goq h LYS 152 Ca 0.20 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 3goq h LYS 152 Cb 0.26 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.58 3goq h LYS 152 CO -0.05 0.36 -0.34 0.35 -0.57 0.00 0.00 179.45 179.20 3goq h PHE 153 N 0.00 0.33 -0.60 -1.35 3.57 -1.41 -2.06 116.94 115.42 3goq h PHE 153 Ca -0.00 -0.18 0.11 0.00 3.53 0.00 0.00 57.97 61.42 3goq h PHE 153 Cb 0.70 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.32 3goq h PHE 153 CO 0.00 1.01 0.14 0.28 -2.23 0.00 0.00 178.31 177.50 3goq h VAL 154 N -0.44 0.65 -0.69 1.41 2.07 -1.25 -2.41 116.25 115.59 3goq h VAL 154 Ca -0.04 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 3goq h VAL 154 Cb 1.11 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3goq h VAL 154 CO 0.07 0.05 0.28 0.74 0.02 0.00 0.00 177.57 178.72 3goq h THR 155 N 0.27 1.24 -0.31 2.57 2.02 -0.89 -0.10 112.91 117.72 3goq h THR 155 Ca 0.31 -0.75 0.07 0.00 0.77 0.00 0.00 66.41 66.82 3goq h THR 155 Cb 0.46 0.41 -0.08 0.00 -1.74 0.00 0.00 68.15 67.20 3goq h THR 155 CO -0.39 0.30 -0.29 0.22 0.37 0.00 0.00 175.52 175.73 3goq h TYR 156 N 1.00 -0.79 -0.11 3.16 3.20 -0.86 -0.94 116.97 121.63 3goq h TYR 156 Ca 0.23 0.05 -0.18 0.00 3.14 0.00 0.00 58.73 61.97 3goq h TYR 156 Cb 0.19 0.39 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 3goq h TYR 156 CO 0.02 -0.36 -0.70 -1.49 -1.64 0.00 0.00 178.16 173.98 3goq h TRP 157 N -0.27 0.63 -0.47 -3.82 4.06 -1.24 -2.41 115.95 112.43 3goq h TRP 157 Ca 0.15 -0.27 0.00 0.00 2.06 0.00 0.00 58.89 60.84 3goq h TRP 157 Cb 0.51 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 28.55 3goq h TRP 157 CO -0.46 1.03 0.31 0.28 -3.56 0.00 0.00 178.44 176.03 3goq h VAL 158 N 0.33 1.13 -0.40 1.49 2.07 -0.83 -0.96 116.25 119.08 3goq h VAL 158 Ca -0.03 -0.25 -0.12 0.00 0.82 0.00 0.00 66.70 67.13 3goq h VAL 158 Cb 1.28 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3goq h VAL 158 CO 0.13 0.12 -0.23 0.44 0.02 0.00 0.00 177.57 178.05 3goq h ASP 159 N 0.64 0.83 -0.63 0.57 3.32 -1.07 -0.53 116.42 119.54 3goq h ASP 159 Ca 0.17 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 3goq h ASP 159 Cb -0.06 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 3goq h ASP 159 CO -0.04 1.03 0.28 0.03 -1.72 0.00 0.00 179.24 178.82 3goq h ARG 160 N 0.71 0.92 -0.46 3.56 2.47 -1.24 -2.22 114.38 118.12 3goq h ARG 160 Ca 0.10 -0.15 -0.05 0.00 -1.26 0.00 0.00 59.98 58.61 3goq h ARG 160 Cb 0.75 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.90 3goq h ARG 160 CO 0.06 0.76 0.09 0.28 0.56 0.00 0.00 179.97 181.71 3goq h VAL 161 N 0.87 1.24 -0.47 2.04 2.07 -0.97 -1.82 116.25 119.21 3goq h VAL 161 Ca 0.21 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.89 3goq h VAL 161 Cb 0.16 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 3goq h VAL 161 CO -0.02 0.31 0.23 0.11 0.02 0.00 0.00 177.57 178.22 3goq h LYS 162 N 0.63 0.44 -0.80 1.57 1.57 -0.96 -1.14 116.57 117.87 3goq h LYS 162 Ca 0.14 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3goq h LYS 162 Cb 0.37 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 3goq h LYS 162 CO 0.01 0.29 0.48 0.93 -0.57 0.00 0.00 179.45 180.59 3goq h GLU 163 N 0.45 1.10 -0.16 3.15 5.08 -1.30 0.05 114.58 122.96 3goq h GLU 163 Ca 0.20 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3goq h GLU 163 Cb 0.12 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3goq h GLU 163 CO -0.15 0.78 0.03 1.15 -1.00 0.00 0.00 179.01 179.82 3goq h THR 164 N 1.10 1.21 -0.57 1.13 2.02 -0.83 -1.27 112.91 115.70 3goq h THR 164 Ca 0.29 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 3goq h THR 164 Cb -0.03 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 3goq h THR 164 CO -0.05 0.20 0.19 1.88 0.37 0.00 0.00 175.52 178.11 3goq h TYR 165 N 0.06 0.85 -0.04 3.16 -1.99 -0.99 -2.27 116.97 115.75 3goq h TYR 165 Ca 0.05 -0.06 -0.07 0.00 2.00 0.00 0.00 58.73 60.65 3goq h TYR 165 Cb 0.28 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.75 3goq h TYR 165 CO 0.01 0.68 -0.28 0.00 -0.00 0.00 0.00 178.16 178.58 3goq h ALA 166 N 1.39 1.46 0.00 3.88 0.00 -0.75 -2.57 119.26 122.67 3goq h ALA 166 Ca 0.19 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3goq h ALA 166 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3goq h ALA 166 CO -0.01 0.40 0.00 -1.13 0.00 0.00 0.00 179.25 178.51 3goq n SER 167 N -4.18 0.62 -4.80 0.00 3.41 -0.50 -4.89 113.62 103.28 3goq n SER 167 Ca -0.02 0.60 -0.35 0.00 -0.26 0.00 0.00 58.87 58.84 3goq n SER 167 Cb 0.35 -0.75 -0.07 0.00 -0.26 0.00 0.00 64.21 63.48 3goq n SER 167 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3goq s MET 168 N -3.17 4.43 0.98 4.33 1.00 -0.97 -5.04 119.30 120.87 3goq s MET 168 Ca 0.08 1.26 -0.11 0.00 0.00 0.00 0.00 55.69 56.92 3goq s MET 168 Cb 0.12 -2.55 0.19 0.00 0.00 0.00 0.00 34.83 32.58 3goq s MET 168 CO 0.48 0.14 1.12 -1.25 0.00 0.00 0.00 175.02 175.51 3goq s PRO 169 N -2.50 0.46 0.25 2.03 0.04 -1.26 -4.69 135.00 129.33 3goq s PRO 169 Ca 0.55 1.39 -0.04 0.00 0.04 0.00 0.00 61.00 62.94 3goq s PRO 169 Cb -0.15 -1.67 0.30 0.00 0.04 0.00 0.00 34.50 33.02 3goq s PRO 169 CO 0.20 -2.96 1.82 0.93 0.04 0.00 0.00 177.00 177.02 3goq h GLU 170 N -2.10 1.01 -0.02 4.56 5.08 -1.97 -1.61 114.58 119.52 3goq h GLU 170 Ca -0.48 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 57.60 3goq h GLU 170 Cb 1.29 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3goq h GLU 170 CO 0.43 0.84 -0.46 0.38 -1.00 0.00 0.00 179.01 179.21 3goq h ASP 171 N 0.98 0.06 -0.11 1.42 2.03 -1.99 -2.78 116.42 116.02 3goq h ASP 171 Ca 0.22 -0.02 -0.07 0.00 -0.73 0.00 0.00 57.03 56.43 3goq h ASP 171 Cb 0.23 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 3goq h ASP 171 CO -0.01 0.51 -0.22 -0.33 -1.03 0.00 0.00 179.24 178.16 3goq h GLU 172 N 0.04 0.34 -0.76 4.15 5.08 -1.79 -3.15 114.58 118.49 3goq h GLU 172 Ca -0.00 -0.22 0.08 0.00 -1.00 0.00 0.00 59.36 58.22 3goq h GLU 172 Cb 0.83 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 3goq h GLU 172 CO 0.06 0.82 0.50 -0.09 -1.00 0.00 0.00 179.01 179.29 3goq h ARG 173 N -0.09 0.70 -0.20 2.33 2.43 -1.04 0.94 114.38 119.44 3goq h ARG 173 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3goq h ARG 173 Cb 0.81 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 3goq h ARG 173 CO 0.05 0.47 0.00 -0.85 -1.51 0.00 0.00 179.97 178.12 3goq n GLU 174 N -4.49 1.88 -2.74 0.20 0.28 -1.09 -4.28 120.64 110.39 3goq n GLU 174 Ca 0.12 -1.32 -0.05 0.00 -0.16 0.00 0.00 57.16 55.75 3goq n GLU 174 Cb 0.29 -1.41 0.04 0.00 1.43 0.00 0.00 31.44 31.78 3goq n GLU 174 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 3goq n ASN 175 N 0.55 1.44 -4.69 -1.84 5.15 0.26 -5.10 115.26 111.02 3goq n ASN 175 Ca 0.17 -2.39 -0.24 0.00 -0.60 0.00 0.00 54.58 51.52 3goq n ASN 175 Cb 0.38 -0.48 -0.07 0.00 -0.53 0.00 0.00 39.78 39.08 3goq n ASN 175 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3goq s ALA 176 N -3.37 3.27 -0.06 5.20 0.00 -0.82 -0.98 121.76 125.00 3goq s ALA 176 Ca 0.27 -1.49 0.03 0.00 0.00 0.00 0.00 51.96 50.76 3goq s ALA 176 Cb 0.39 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 22.55 3goq s ALA 176 CO 0.00 0.34 -0.14 1.41 0.00 0.00 0.00 175.76 177.37 3goq s MET 177 N -3.44 1.77 -0.22 0.00 0.00 -0.21 -4.84 119.30 112.36 3goq s MET 177 Ca 0.30 -0.49 -0.12 0.00 0.00 0.00 0.00 55.69 55.38 3goq s MET 177 Cb -0.08 -1.47 -0.05 0.00 0.00 0.00 0.00 34.83 33.23 3goq s MET 177 CO 0.21 0.10 0.23 -1.17 0.00 0.00 0.00 175.02 174.38 3goq s LEU 178 N 0.44 4.15 -0.23 4.11 2.96 -1.11 -0.50 118.68 128.50 3goq s LEU 178 Ca -0.11 0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 54.05 3goq s LEU 178 Cb -0.14 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.34 3goq s LEU 178 CO 0.03 0.05 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.39 3goq s ILE 179 N 0.98 2.74 -0.16 6.68 1.01 0.12 -0.76 121.20 131.80 3goq s ILE 179 Ca 0.11 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 3goq s ILE 179 Cb -0.13 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 3goq s ILE 179 CO 0.04 0.32 0.01 -0.69 0.00 0.00 0.00 174.94 174.62 3goq s VAL 180 N 1.34 4.31 0.16 2.92 1.01 -0.44 -0.72 120.40 128.98 3goq s VAL 180 Ca 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 3goq s VAL 180 Cb -0.15 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 3goq s VAL 180 CO -0.06 0.49 0.15 -0.94 0.00 0.00 0.00 175.10 174.74 3goq s SER 181 N 0.23 0.18 0.28 3.32 1.04 -0.65 -1.34 113.70 116.75 3goq s SER 181 Ca 0.00 -1.17 -0.07 0.00 0.48 0.00 0.00 55.95 55.20 3goq s SER 181 Cb -0.13 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 3goq s SER 181 CO 0.02 -0.82 0.42 0.00 0.98 0.00 0.00 173.24 173.83 3goq s ALA 182 N -4.06 0.42 0.07 5.32 0.00 -1.21 -1.75 121.76 120.54 3goq s ALA 182 Ca 0.27 -1.28 -0.31 0.00 0.00 0.00 0.00 51.96 50.64 3goq s ALA 182 Cb 0.06 1.16 -0.08 0.00 0.00 0.00 0.00 23.12 24.26 3goq s ALA 182 CO 0.05 -0.78 1.54 -1.58 0.00 0.00 0.00 175.76 174.98 3goq s HIS 183 N -3.64 2.73 0.71 0.00 2.46 -1.26 -1.94 115.29 114.35 3goq s HIS 183 Ca 0.29 0.58 -0.16 0.00 0.47 0.00 0.00 55.06 56.23 3goq s HIS 183 Cb 0.01 -3.84 0.02 0.00 -0.13 0.00 0.00 32.58 28.64 3goq s HIS 183 CO 0.14 -3.22 1.25 0.45 -2.47 0.00 0.00 174.74 170.89 3goq n SER 184 N 5.12 1.63 -4.18 9.88 2.88 -0.00 -4.80 113.62 124.15 3goq n SER 184 Ca 0.14 0.74 -0.11 0.00 -1.33 0.00 0.00 58.87 58.31 3goq n SER 184 Cb 0.41 -1.53 -0.10 0.00 -0.75 0.00 0.00 64.21 62.24 3goq n SER 184 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3goq s LEU 185 N -4.76 2.21 0.30 2.46 1.43 -1.26 -4.68 118.68 114.37 3goq s LEU 185 Ca 0.79 -1.11 -0.29 0.00 -1.03 0.00 0.00 54.13 52.49 3goq s LEU 185 Cb -0.35 0.05 -0.13 0.00 0.03 0.00 0.00 46.19 45.79 3goq s LEU 185 CO 0.44 -0.58 1.37 -2.65 0.23 0.00 0.00 176.35 175.16 3goq n PRO 186 N -0.11 2.15 0.17 1.29 -0.02 -1.26 -0.53 135.00 136.70 3goq n PRO 186 Ca -0.09 0.76 0.15 0.00 -2.02 0.00 0.00 63.50 62.30 3goq n PRO 186 Cb 0.62 -2.39 0.75 0.00 -0.02 0.00 0.00 33.50 32.46 3goq n PRO 186 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3goq h GLU 187 N 3.41 0.00 0.00 -0.52 5.08 -1.49 -2.77 114.58 118.29 3goq h GLU 187 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3goq h GLU 187 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3goq h GLU 187 CO 0.69 0.00 0.04 1.57 -1.00 0.00 0.00 179.01 180.32 3goq h LYS 188 N 0.00 0.00 -0.37 2.33 2.10 -1.89 -0.42 116.57 118.32 3goq h LYS 188 Ca 0.10 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.86 3goq h LYS 188 Cb 0.45 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.77 3goq h LYS 188 CO -0.00 0.00 0.38 -0.84 -2.00 0.00 0.00 179.45 176.99 3goq h ILE 189 N 0.00 0.43 -0.08 0.07 3.07 -1.87 -0.73 117.51 118.41 3goq h ILE 189 Ca 0.00 0.00 0.02 0.00 1.55 0.00 0.00 64.86 66.43 3goq h ILE 189 Cb 0.09 0.70 -0.00 0.00 -0.27 0.00 0.00 36.82 37.33 3goq h ILE 189 CO 0.00 0.00 0.08 0.07 -1.05 0.00 0.00 178.15 177.25 3goq h LYS 190 N 0.00 0.00 -0.45 0.16 2.10 -1.34 -2.17 116.57 114.88 3goq h LYS 190 Ca 0.17 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.90 3goq h LYS 190 Cb 0.93 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.24 3goq h LYS 190 CO -0.00 0.00 0.31 0.93 -2.00 0.00 0.00 179.45 178.68 3goq h GLU 191 N 0.00 0.26 -0.61 0.07 5.08 -1.36 -2.17 114.58 115.86 3goq h GLU 191 Ca 0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3goq h GLU 191 Cb 0.19 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3goq h GLU 191 CO -0.00 0.17 0.00 1.19 -1.00 0.00 0.00 179.01 179.37 3goq n PHE 192 N -4.47 0.81 -2.02 4.33 3.72 -0.83 -4.94 117.46 114.06 3goq n PHE 192 Ca 0.06 -0.49 -0.08 0.00 -0.05 0.00 0.00 57.45 56.89 3goq n PHE 192 Cb 0.33 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.85 3goq n PHE 192 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3goq n GLY 193 N 1.30 0.17 3.68 1.37 0.00 -0.82 -4.95 105.19 105.94 3goq n GLY 193 Ca 0.20 -0.55 -0.46 0.00 0.00 0.00 0.00 46.02 45.21 3goq n GLY 193 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3goq n ASP 194 N 0.42 3.34 -0.10 1.61 -0.08 -1.13 -4.86 116.55 115.76 3goq n ASP 194 Ca -0.10 1.03 0.16 0.00 -1.51 0.00 0.00 54.79 54.37 3goq n ASP 194 Cb 0.53 -1.42 0.86 0.00 2.34 0.00 0.00 41.12 43.43 3goq n ASP 194 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3goq n PRO 195 N 4.95 1.13 -0.15 -0.67 -0.04 -1.26 -4.37 135.00 134.59 3goq n PRO 195 Ca 0.19 -0.20 -0.05 0.00 -0.04 0.00 0.00 63.50 63.40 3goq n PRO 195 Cb 0.30 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.28 3goq n PRO 195 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3goq h TYR 196 N 0.49 -0.71 -0.75 0.54 3.20 -1.88 0.71 116.97 118.57 3goq h TYR 196 Ca 0.00 0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 3goq h TYR 196 Cb 0.11 0.38 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 3goq h TYR 196 CO 0.00 -0.34 0.31 -1.35 -1.64 0.00 0.00 178.16 175.14 3goq h PRO 197 N -0.16 1.10 -0.56 1.82 0.11 -1.89 -1.71 132.00 130.71 3goq h PRO 197 Ca 0.22 -0.18 -0.06 0.00 0.11 0.00 0.00 66.00 66.08 3goq h PRO 197 Cb 0.50 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 3goq h PRO 197 CO -0.57 0.88 0.09 -0.44 -0.21 0.00 0.00 178.00 177.75 3goq h ASP 198 N 1.08 0.85 -0.60 -2.05 3.32 -1.48 -1.77 116.42 115.77 3goq h ASP 198 Ca 0.25 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 3goq h ASP 198 Cb 0.18 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3goq h ASP 198 CO -0.02 0.86 0.08 1.56 -1.72 0.00 0.00 179.24 180.00 3goq h GLN 199 N 0.85 1.03 -0.41 3.56 4.20 -0.64 -0.44 115.11 123.26 3goq h GLN 199 Ca 0.18 -0.28 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 3goq h GLN 199 Cb 0.38 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3goq h GLN 199 CO 0.01 0.96 0.14 1.25 -0.67 0.00 0.00 178.83 180.52 3goq h LEU 200 N 0.97 0.59 -1.36 1.46 5.85 -0.95 -0.13 115.31 121.74 3goq h LEU 200 Ca 0.19 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3goq h LEU 200 Cb 0.44 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3goq h LEU 200 CO 0.01 0.62 0.13 0.45 -0.34 0.00 0.00 178.44 179.32 3goq h HIS 201 N 0.52 0.57 -0.27 1.25 3.86 -1.05 -1.14 115.15 118.90 3goq h HIS 201 Ca 0.13 -0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.21 3goq h HIS 201 Cb 0.24 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 3goq h HIS 201 CO 0.01 0.47 -0.27 1.49 0.86 0.00 0.00 177.93 180.49 3goq h GLU 202 N 0.56 0.65 -0.58 2.45 4.81 -0.82 -0.81 114.58 120.84 3goq h GLU 202 Ca 0.14 -0.35 0.11 0.00 -0.13 0.00 0.00 59.36 59.13 3goq h GLU 202 Cb 0.16 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.46 3goq h GLU 202 CO -0.01 0.95 0.09 0.77 -0.73 0.00 0.00 179.01 180.08 3goq h SER 203 N 0.38 -0.07 -0.31 1.04 0.02 -0.62 -0.40 113.55 113.59 3goq h SER 203 Ca 0.04 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 3goq h SER 203 Cb 0.83 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 3goq h SER 203 CO 0.07 -0.02 0.11 0.00 -1.14 0.00 0.00 176.83 175.85 3goq h ALA 204 N 1.48 0.41 -0.35 3.77 0.00 -1.01 -1.21 119.26 122.35 3goq h ALA 204 Ca 0.31 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.12 3goq h ALA 204 Cb 0.46 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3goq h ALA 204 CO -0.42 0.02 0.09 -0.22 0.00 0.00 0.00 179.25 178.73 3goq h LYS 205 N 0.35 0.22 -0.61 0.00 3.64 -0.72 -0.83 116.57 118.62 3goq h LYS 205 Ca 0.10 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3goq h LYS 205 Cb 0.21 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 3goq h LYS 205 CO -0.01 0.15 0.20 -0.07 -2.27 0.00 0.00 179.45 177.45 3goq h LEU 206 N 0.23 0.88 -0.09 5.20 3.38 -0.85 -0.49 115.31 123.57 3goq h LEU 206 Ca 0.17 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3goq h LEU 206 Cb 0.17 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3goq h LEU 206 CO -0.20 0.85 -0.31 0.40 0.09 0.00 0.00 178.44 179.27 3goq h ILE 207 N 0.87 1.40 -0.67 1.22 2.04 -1.13 -1.60 117.51 119.64 3goq h ILE 207 Ca 0.20 -1.66 -0.02 0.00 1.00 0.00 0.00 64.86 64.38 3goq h ILE 207 Cb 0.27 2.22 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 3goq h ILE 207 CO -0.01 0.48 0.34 0.00 0.00 0.00 0.00 178.15 178.97 3goq h ALA 208 N 0.47 0.87 0.12 1.87 0.00 -1.05 -0.89 119.26 120.65 3goq h ALA 208 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3goq h ALA 208 Cb 0.94 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3goq h ALA 208 CO 0.07 0.41 -0.06 1.49 0.00 0.00 0.00 179.25 181.16 3goq h GLU 209 N 0.93 -0.16 -0.59 0.00 4.81 -1.11 0.14 114.58 118.59 3goq h GLU 209 Ca 0.23 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.52 3goq h GLU 209 Cb 0.09 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3goq h GLU 209 CO -0.03 0.03 0.39 0.78 -0.73 0.00 0.00 179.01 179.45 3goq h GLY 210 N -0.33 0.75 1.30 1.92 0.00 -1.14 -2.55 103.07 103.03 3goq h GLY 210 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3goq h GLY 210 CO 0.03 0.21 -0.36 0.00 0.00 0.00 0.00 176.54 176.42 3goq n ALA 211 N -2.47 3.16 -2.43 3.60 0.00 -0.35 -4.95 120.51 117.07 3goq n ALA 211 Ca 0.08 -0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.16 3goq n ALA 211 Cb 0.19 -1.23 0.01 0.00 0.00 0.00 0.00 19.45 18.42 3goq n ALA 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3goq n GLY 212 N 1.49 0.17 3.46 0.00 0.00 -0.49 -4.78 105.19 105.04 3goq n GLY 212 Ca 0.06 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 3goq n GLY 212 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3goq s VAL 213 N -2.66 4.72 -0.21 1.61 1.01 -0.08 -4.97 120.40 119.81 3goq s VAL 213 Ca 0.08 -0.33 0.20 0.00 0.00 0.00 0.00 61.98 61.94 3goq s VAL 213 Cb -0.04 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 3goq s VAL 213 CO 0.10 0.09 1.06 0.77 0.00 0.00 0.00 175.10 177.12 3goq h SER 214 N 8.36 0.00 -3.63 3.32 4.64 -1.96 -3.41 113.55 120.87 3goq h SER 214 Ca -0.33 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.30 3goq h SER 214 Cb 1.15 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.92 3goq h SER 214 CO 0.61 0.21 -0.61 -1.61 -0.87 0.00 0.00 176.83 174.56 3goq s GLU 215 N -3.19 2.35 0.20 4.77 0.41 -1.26 -5.06 118.70 116.92 3goq s GLU 215 Ca -0.00 -1.44 -0.08 0.00 -0.41 0.00 0.00 54.97 53.04 3goq s GLU 215 Cb 0.09 -3.42 -0.02 0.00 -1.78 0.00 0.00 34.13 29.00 3goq s GLU 215 CO 0.78 -0.80 0.30 1.52 -0.49 0.00 0.00 175.26 176.57 3goq s TYR 216 N 1.27 0.60 0.10 1.61 1.13 -1.26 -2.74 117.35 118.06 3goq s TYR 216 Ca 0.01 -0.93 -0.13 0.00 -1.41 0.00 0.00 57.07 54.61 3goq s TYR 216 Cb -0.21 -0.12 0.02 0.00 -1.10 0.00 0.00 41.96 40.55 3goq s TYR 216 CO -0.01 -0.78 0.31 0.00 -2.51 0.00 0.00 175.55 172.56 3goq s ALA 217 N -4.04 -0.65 -0.11 9.51 0.00 0.06 -4.93 121.76 121.61 3goq s ALA 217 Ca 0.25 -0.24 0.02 0.00 0.00 0.00 0.00 51.96 51.99 3goq s ALA 217 Cb 0.03 0.56 -0.01 0.00 0.00 0.00 0.00 23.12 23.70 3goq s ALA 217 CO 0.06 -0.56 -0.18 0.08 0.00 0.00 0.00 175.76 175.17 3goq s VAL 218 N -3.62 2.65 0.27 0.00 1.01 -1.26 -1.33 120.40 118.12 3goq s VAL 218 Ca 0.02 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.21 3goq s VAL 218 Cb 0.03 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 3goq s VAL 218 CO -0.10 0.54 0.15 -0.83 0.00 0.00 0.00 175.10 174.86 3goq s GLY 219 N 0.23 1.84 0.20 4.51 0.00 -0.45 -4.72 107.32 108.92 3goq s GLY 219 Ca -0.11 -1.79 0.09 0.00 0.00 0.00 0.00 44.72 42.90 3goq s GLY 219 CO 0.06 -1.52 -0.18 -0.98 0.00 0.00 0.00 173.10 170.48 3goq s TRP 220 N -3.78 1.92 0.11 1.90 0.52 -0.15 -3.36 118.94 116.09 3goq s TRP 220 Ca 0.38 -0.46 -0.10 0.00 0.02 0.00 0.00 56.10 55.93 3goq s TRP 220 Cb 0.06 -0.91 0.00 0.00 -1.15 0.00 0.00 33.47 31.48 3goq s TRP 220 CO 0.16 0.43 0.25 1.14 0.02 0.00 0.00 176.95 178.95 3goq s GLN 221 N -3.18 0.94 -0.98 4.98 -2.07 -0.82 -0.70 119.66 117.84 3goq s GLN 221 Ca 0.21 -0.95 0.00 0.00 -1.82 0.00 0.00 55.36 52.80 3goq s GLN 221 Cb -0.04 0.37 0.00 0.00 -1.09 0.00 0.00 33.01 32.25 3goq s GLN 221 CO 0.09 -0.32 0.00 0.43 -1.32 0.00 0.00 175.29 174.16 3goq n SER 222 N -0.12 -3.74 -4.66 12.60 7.64 -1.26 -0.82 113.62 123.26 3goq n SER 222 Ca -0.14 0.06 -0.41 0.00 1.01 0.00 0.00 58.87 59.40 3goq n SER 222 Cb 0.63 -2.79 0.02 0.00 -1.01 0.00 0.00 64.21 61.06 3goq n SER 222 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3goq n GLU 223 N -2.20 1.57 -0.52 1.43 0.28 -1.26 -4.69 120.64 115.24 3goq n GLU 223 Ca -0.12 0.57 -0.09 0.00 -0.16 0.00 0.00 57.16 57.35 3goq n GLU 223 Cb 0.54 -2.24 0.07 0.00 1.43 0.00 0.00 31.44 31.24 3goq n GLU 223 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3goq n GLY 224 N 1.01 -1.56 2.99 -1.84 0.00 -1.26 -5.06 105.19 99.47 3goq n GLY 224 Ca 0.09 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 3goq n GLY 224 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3goq s ASN 225 N -2.48 4.66 0.16 1.61 2.47 -1.26 -5.02 114.94 115.08 3goq s ASN 225 Ca 0.23 -2.05 0.01 0.00 0.42 0.00 0.00 52.86 51.47 3goq s ASN 225 Cb -0.01 -1.54 -0.04 0.00 -1.45 0.00 0.00 41.25 38.21 3goq s ASN 225 CO 0.16 -0.37 0.03 0.42 -3.72 0.00 0.00 177.10 173.62 3goq s THR 226 N 0.99 0.47 0.34 -5.21 -4.23 -1.26 -5.07 115.64 101.68 3goq s THR 226 Ca 0.10 -1.96 0.17 0.00 -1.18 0.00 0.00 61.69 58.82 3goq s THR 226 Cb -0.19 -2.12 0.14 0.00 1.34 0.00 0.00 72.50 71.67 3goq s THR 226 CO -0.10 -0.44 1.86 1.55 -0.54 0.00 0.00 174.62 176.95 3goq h PRO 227 N 2.73 0.00 -7.09 3.99 0.13 -2.08 -3.44 132.00 126.24 3goq h PRO 227 Ca -0.36 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.32 3goq h PRO 227 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3goq h PRO 227 CO 0.61 0.32 0.35 0.16 -0.23 0.00 0.00 178.00 179.21 3goq s ASP 228 N -6.69 6.83 0.60 1.44 -4.77 -1.26 -5.00 116.67 107.82 3goq s ASP 228 Ca -0.02 1.68 -0.18 0.00 -3.30 0.00 0.00 52.55 50.73 3goq s ASP 228 Cb 0.14 -2.53 -0.03 0.00 -1.09 0.00 0.00 42.92 39.40 3goq s ASP 228 CO 0.69 -0.44 1.15 -2.16 0.70 0.00 0.00 175.17 175.11 3goq s PRO 229 N -3.38 3.04 0.22 2.11 0.05 -1.26 -4.90 135.00 130.88 3goq s PRO 229 Ca 0.62 1.62 0.08 0.00 0.05 0.00 0.00 61.00 63.37 3goq s PRO 229 Cb -0.10 -1.96 -0.04 0.00 0.05 0.00 0.00 34.50 32.45 3goq s PRO 229 CO 0.17 -1.10 0.01 -1.58 0.05 0.00 0.00 177.00 174.55 3goq s TRP 230 N -1.89 2.79 0.27 0.56 0.52 -1.26 -1.38 118.94 118.55 3goq s TRP 230 Ca 0.72 -0.18 -0.30 0.00 0.02 0.00 0.00 56.10 56.36 3goq s TRP 230 Cb -0.25 -1.29 -0.12 0.00 -1.15 0.00 0.00 33.47 30.65 3goq s TRP 230 CO 0.33 0.56 1.49 1.28 0.02 0.00 0.00 176.95 180.63 3goq n LEU 231 N -0.53 3.73 -4.28 2.99 4.77 0.32 -4.66 117.00 119.33 3goq n LEU 231 Ca -0.08 1.15 -0.18 0.00 -0.03 0.00 0.00 56.01 56.87 3goq n LEU 231 Cb 0.57 -1.51 -0.09 0.00 -2.33 0.00 0.00 43.42 40.06 3goq n LEU 231 CO 0.39 -0.19 -0.16 -0.83 -1.33 0.00 0.00 177.39 175.28 3goq s GLY 232 N 0.34 2.08 0.46 -0.72 0.00 -1.26 -4.67 107.32 103.56 3goq s GLY 232 Ca 0.65 -1.89 -0.16 0.00 0.00 0.00 0.00 44.72 43.32 3goq s GLY 232 CO 0.50 -1.49 0.92 2.56 0.00 0.00 0.00 173.10 175.59 3goq s PRO 233 N -3.70 3.98 0.45 2.90 0.04 -1.26 -4.86 135.00 132.54 3goq s PRO 233 Ca 0.39 0.89 -0.24 0.00 0.04 0.00 0.00 61.00 62.07 3goq s PRO 233 Cb 0.04 -2.21 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 3goq s PRO 233 CO 0.21 -0.15 1.27 0.34 0.04 0.00 0.00 177.00 178.72 3goq s ASP 234 N -2.84 6.08 0.50 6.66 2.15 -1.26 -0.98 116.67 126.98 3goq s ASP 234 Ca 0.58 2.57 0.19 0.00 0.43 0.00 0.00 52.55 56.33 3goq s ASP 234 Cb -0.10 -2.63 1.25 0.00 -0.30 0.00 0.00 42.92 41.14 3goq s ASP 234 CO 0.26 -1.00 2.03 -0.37 -0.17 0.00 0.00 175.17 175.93 3goq h VAL 235 N 2.11 0.85 -0.30 1.11 -1.51 -1.25 -0.29 116.25 116.97 3goq h VAL 235 Ca -0.50 -0.04 -0.06 0.00 -1.23 0.00 0.00 66.70 64.87 3goq h VAL 235 Cb 1.26 0.71 -0.01 0.00 -2.13 0.00 0.00 31.29 31.12 3goq h VAL 235 CO 0.61 0.02 -0.06 1.56 -1.23 0.00 0.00 177.57 178.48 3goq h GLN 236 N 0.13 0.57 -0.18 5.19 4.20 -1.92 -1.33 115.11 121.78 3goq h GLN 236 Ca 0.20 -0.21 -0.17 0.00 0.06 0.00 0.00 58.65 58.52 3goq h GLN 236 Cb 0.61 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.36 3goq h GLN 236 CO -0.02 0.75 -0.57 -0.44 -0.67 0.00 0.00 178.83 177.88 3goq h ASP 237 N 0.34 0.81 -0.28 1.46 3.32 -1.76 -2.86 116.42 117.44 3goq h ASP 237 Ca 0.08 -0.60 0.02 0.00 0.02 0.00 0.00 57.03 56.55 3goq h ASP 237 Cb 0.53 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3goq h ASP 237 CO 0.03 1.26 0.14 0.25 -1.72 0.00 0.00 179.24 179.20 3goq h LEU 238 N 0.39 0.21 -0.22 1.55 5.85 -1.04 0.54 115.31 122.59 3goq h LEU 238 Ca -0.02 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3goq h LEU 238 Cb 1.19 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 3goq h LEU 238 CO 0.12 0.16 -0.04 0.74 -0.34 0.00 0.00 178.44 179.08 3goq h THR 239 N 0.29 0.80 -0.50 1.05 2.02 -1.27 -0.17 112.91 115.13 3goq h THR 239 Ca 0.11 -0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.20 3goq h THR 239 Cb 0.03 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 3goq h THR 239 CO -0.08 0.00 -0.05 -0.09 0.37 0.00 0.00 175.52 175.68 3goq h ARG 240 N 0.01 0.91 -0.22 6.66 2.43 -1.26 -1.66 114.38 121.26 3goq h ARG 240 Ca 0.10 -0.31 -0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3goq h ARG 240 Cb 0.15 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3goq h ARG 240 CO -0.21 0.96 0.12 0.22 -1.51 0.00 0.00 179.97 179.55 3goq h ASP 241 N 0.77 0.27 -0.62 -3.80 3.58 -0.70 -1.10 116.42 114.82 3goq h ASP 241 Ca 0.14 -0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.46 3goq h ASP 241 Cb 0.58 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 3goq h ASP 241 CO 0.03 0.28 0.25 -0.07 -2.88 0.00 0.00 179.24 176.86 3goq h LEU 242 N 0.24 0.88 -0.38 2.28 3.38 -0.97 -1.26 115.31 119.48 3goq h LEU 242 Ca 0.08 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3goq h LEU 242 Cb 0.07 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3goq h LEU 242 CO -0.01 0.79 0.19 0.15 0.09 0.00 0.00 178.44 179.65 3goq h PHE 243 N 0.94 0.53 -0.25 1.13 3.57 -1.01 -1.50 116.94 120.36 3goq h PHE 243 Ca 0.22 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 3goq h PHE 243 Cb 0.19 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 3goq h PHE 243 CO 0.01 0.44 -0.16 0.93 -2.23 0.00 0.00 178.31 177.31 3goq h GLU 244 N 0.48 0.42 0.06 1.11 5.08 -0.70 0.20 114.58 121.23 3goq h GLU 244 Ca 0.13 -0.12 -0.26 0.00 -1.00 0.00 0.00 59.36 58.11 3goq h GLU 244 Cb 0.10 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3goq h GLU 244 CO -0.02 0.57 -1.24 -0.56 -1.00 0.00 0.00 179.01 176.77 3goq h GLN 245 N 0.39 0.14 0.00 2.33 3.07 -1.14 -3.42 115.11 116.47 3goq h GLN 245 Ca 0.07 -0.23 0.00 0.00 0.09 0.00 0.00 58.65 58.58 3goq h GLN 245 Cb 0.51 0.09 0.00 0.00 0.08 0.00 0.00 27.48 28.15 3goq h GLN 245 CO 0.03 1.05 0.00 1.63 0.09 0.00 0.00 178.83 181.63 3goq n LYS 246 N -3.40 -0.07 -1.77 0.06 5.02 -0.57 -5.07 118.16 112.36 3goq n LYS 246 Ca -0.07 -0.19 -0.13 0.00 -2.02 0.00 0.00 58.31 55.90 3goq n LYS 246 Cb 1.00 -0.60 -0.03 0.00 -0.02 0.00 0.00 35.03 35.38 3goq n LYS 246 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3goq n GLY 247 N -0.02 0.67 3.60 0.72 0.00 0.68 -4.97 105.19 105.87 3goq n GLY 247 Ca 0.00 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 3goq n GLY 247 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3goq n TYR 248 N -3.26 1.11 0.88 1.61 4.01 -1.26 -4.90 117.16 115.35 3goq n TYR 248 Ca -0.14 0.57 0.09 0.00 -0.16 0.00 0.00 57.90 58.27 3goq n TYR 248 Cb 0.51 -2.22 -0.05 0.00 -0.31 0.00 0.00 39.34 37.27 3goq n TYR 248 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3goq n GLN 249 N 0.22 1.15 -3.71 -0.72 6.02 -0.15 -4.83 117.38 115.36 3goq n GLN 249 Ca 0.09 -0.51 -0.13 0.00 -0.01 0.00 0.00 57.00 56.44 3goq n GLN 249 Cb 0.38 -1.39 -0.09 0.00 1.02 0.00 0.00 30.24 30.16 3goq n GLN 249 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3goq s ALA 250 N -2.47 -1.19 -0.06 -1.58 0.00 -1.22 -1.19 121.76 114.04 3goq s ALA 250 Ca 0.12 1.33 0.04 0.00 0.00 0.00 0.00 51.96 53.45 3goq s ALA 250 Cb 0.15 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.51 3goq s ALA 250 CO 0.62 -0.23 -0.19 -0.06 0.00 0.00 0.00 175.76 175.91 3goq s PHE 251 N 0.20 1.94 -0.22 0.00 0.40 -0.26 -1.04 117.98 119.00 3goq s PHE 251 Ca -0.00 -0.66 -0.03 0.00 -0.60 0.00 0.00 56.93 55.63 3goq s PHE 251 Cb -0.03 -1.32 -0.00 0.00 0.51 0.00 0.00 43.02 42.18 3goq s PHE 251 CO 0.01 -0.26 -0.05 0.08 0.70 0.00 0.00 175.22 175.70 3goq s VAL 252 N 0.23 3.22 -0.29 -0.44 1.01 0.34 -1.44 120.40 123.03 3goq s VAL 252 Ca -0.10 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.16 3goq s VAL 252 Cb -0.14 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 3goq s VAL 252 CO 0.04 0.39 0.17 -0.31 0.00 0.00 0.00 175.10 175.39 3goq s TYR 253 N 1.44 3.19 -0.51 5.22 1.51 0.11 0.11 117.35 128.41 3goq s TYR 253 Ca 0.05 -0.16 -0.02 0.00 -1.01 0.00 0.00 57.07 55.93 3goq s TYR 253 Cb -0.15 -2.36 0.13 0.00 -0.11 0.00 0.00 41.96 39.48 3goq s TYR 253 CO -0.04 -0.28 0.30 0.08 -1.11 0.00 0.00 175.55 174.50 3goq s VAL 254 N 1.70 3.32 -1.44 0.71 1.01 0.11 -3.97 120.40 121.84 3goq s VAL 254 Ca 0.06 -2.60 -0.13 0.00 0.00 0.00 0.00 61.98 59.31 3goq s VAL 254 Cb -0.16 -3.24 0.06 0.00 0.00 0.00 0.00 36.38 33.03 3goq s VAL 254 CO 0.09 -0.78 2.23 -2.65 0.00 0.00 0.00 175.10 173.99 3goq n PRO 255 N 3.93 3.12 0.29 2.72 -0.02 -1.26 -1.64 135.00 142.13 3goq n PRO 255 Ca 0.03 -2.76 0.16 0.00 -2.02 0.00 0.00 63.50 58.90 3goq n PRO 255 Cb 0.39 -3.16 0.92 0.00 -0.02 0.00 0.00 33.50 31.63 3goq n PRO 255 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3goq h VAL 256 N 3.83 0.50 0.00 -1.45 3.04 -1.72 -1.36 116.25 119.09 3goq h VAL 256 Ca 0.57 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 66.24 3goq h VAL 256 Cb 0.60 0.98 -0.00 0.00 -2.01 0.00 0.00 31.29 30.86 3goq h VAL 256 CO 1.82 0.00 -0.07 1.23 -1.01 0.00 0.00 177.57 179.54 3goq h GLY 257 N 0.00 0.00 -4.62 3.17 0.00 -1.71 -3.44 103.07 96.47 3goq h GLY 257 Ca 0.01 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.70 3goq h GLY 257 CO -0.00 0.00 -0.62 -1.36 0.00 0.00 0.00 176.54 174.56 3goq s PHE 258 N -4.11 3.14 -0.79 5.60 0.08 -0.52 -4.39 117.98 117.00 3goq s PHE 258 Ca -0.03 0.06 0.06 0.00 0.12 0.00 0.00 56.93 57.14 3goq s PHE 258 Cb 0.12 -1.61 0.06 0.00 -0.57 0.00 0.00 43.02 41.03 3goq s PHE 258 CO 0.54 0.51 0.73 1.33 -0.10 0.00 0.00 175.22 178.23 3goq n VAL 259 N 0.55 0.05 -3.69 -0.44 0.24 -1.26 -4.83 118.33 108.96 3goq n VAL 259 Ca -0.10 -0.53 -0.10 0.00 -2.04 0.00 0.00 64.34 61.58 3goq n VAL 259 Cb 0.52 1.10 -0.05 0.00 -1.47 0.00 0.00 33.84 33.93 3goq n VAL 259 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3goq s ALA 260 N -0.56 -0.75 -0.97 2.33 0.00 -1.26 -0.92 121.76 119.62 3goq s ALA 260 Ca 0.08 -0.18 -0.24 0.00 0.00 0.00 0.00 51.96 51.62 3goq s ALA 260 Cb 0.05 0.62 -0.15 0.00 0.00 0.00 0.00 23.12 23.65 3goq s ALA 260 CO 0.08 -0.60 1.93 -0.25 0.00 0.00 0.00 175.76 176.92 3goq n ASP 261 N -0.14 2.52 -3.53 0.00 9.92 -1.26 -4.79 116.55 119.27 3goq n ASP 261 Ca -0.16 -2.65 -0.17 0.00 -0.53 0.00 0.00 54.79 51.28 3goq n ASP 261 Cb 0.63 -1.48 -0.03 0.00 -0.64 0.00 0.00 41.12 39.60 3goq n ASP 261 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 3goq n HIS 262 N 13.04 0.16 -0.16 1.24 8.25 -1.26 -4.73 115.22 131.76 3goq n HIS 262 Ca 0.46 -1.38 -0.02 0.00 -0.26 0.00 0.00 57.72 56.52 3goq n HIS 262 Cb 0.45 -0.21 0.20 0.00 1.12 0.00 0.00 29.99 31.55 3goq n HIS 262 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3goq h LEU 263 N 0.00 0.81 -1.92 2.41 5.85 -1.97 0.42 115.31 120.93 3goq h LEU 263 Ca -0.22 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 3goq h LEU 263 Cb 0.72 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 3goq h LEU 263 CO 0.37 0.74 -0.05 -0.33 -0.34 0.00 0.00 178.44 178.83 3goq h GLU 264 N 0.87 0.00 0.00 1.25 3.07 -1.96 0.17 114.58 117.99 3goq h GLU 264 Ca 0.20 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.89 3goq h GLU 264 Cb 0.19 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.08 3goq h GLU 264 CO -0.02 0.05 -1.26 0.28 -1.40 0.00 0.00 179.01 176.66 3goq n VAL 265 N -4.46 1.49 0.24 3.13 0.31 -0.90 -2.78 118.33 115.37 3goq n VAL 265 Ca -0.03 -0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.40 3goq n VAL 265 Cb 0.13 -2.16 0.62 0.00 -0.91 0.00 0.00 33.84 31.52 3goq n VAL 265 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3goq h LEU 266 N -1.00 0.00 0.00 7.52 3.38 -0.89 -1.13 115.31 123.19 3goq h LEU 266 Ca -0.27 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.47 3goq h LEU 266 Cb 1.09 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 3goq h LEU 266 CO -0.16 0.18 -1.69 0.00 0.09 0.00 0.00 178.44 176.85 3goq n TYR 267 N -3.74 0.00 0.21 1.13 9.36 0.57 -3.73 117.16 120.96 3goq n TYR 267 Ca -0.02 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.28 3goq n TYR 267 Cb 0.29 -0.56 0.44 0.00 -0.63 0.00 0.00 39.34 38.87 3goq n TYR 267 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3goq h ASP 268 N -0.63 0.00 0.00 2.98 3.32 -1.27 -0.13 116.42 120.69 3goq h ASP 268 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3goq h ASP 268 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3goq h ASP 268 CO -0.21 0.29 -0.56 0.59 -1.72 0.00 0.00 179.24 177.63 3goq n ASN 269 N -3.56 1.41 0.19 6.45 4.13 -0.75 -3.30 115.26 119.83 3goq n ASN 269 Ca -0.01 0.40 0.14 0.00 1.68 0.00 0.00 54.58 56.80 3goq n ASN 269 Cb 0.43 -0.73 0.58 0.00 -1.54 0.00 0.00 39.78 38.52 3goq n ASN 269 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 3goq h ASP 270 N -0.75 0.00 0.00 6.41 3.32 -1.32 -1.25 116.42 122.83 3goq h ASP 270 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3goq h ASP 270 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3goq h ASP 270 CO 0.00 0.00 -0.59 0.00 -1.72 0.00 0.00 179.24 176.93 3goq n TYR 271 N -2.56 0.00 -0.21 4.55 9.36 -0.64 -4.45 117.16 123.20 3goq n TYR 271 Ca 0.01 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.15 3goq n TYR 271 Cb 0.25 -0.30 0.02 0.00 -0.63 0.00 0.00 39.34 38.69 3goq n TYR 271 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 3goq h GLU 272 N -0.59 0.98 -0.05 2.98 5.08 -1.07 0.95 114.58 122.86 3goq h GLU 272 Ca 0.00 -0.25 -0.22 0.00 -1.00 0.00 0.00 59.36 57.89 3goq h GLU 272 Cb 0.59 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3goq h GLU 272 CO 0.00 0.91 -0.87 0.00 -1.00 0.00 0.00 179.01 178.05 3goq h LYS 274 N 0.32 0.67 -0.76 0.00 1.63 -1.13 -0.69 116.57 116.62 3goq h LYS 274 Ca -0.07 -0.05 0.05 0.00 -0.85 0.00 0.00 60.65 59.73 3goq h LYS 274 Cb 1.49 -0.14 -0.05 0.00 -0.60 0.00 0.00 32.23 32.93 3goq h LYS 274 CO 0.16 0.47 0.46 0.28 -3.45 0.00 0.00 179.45 177.37 3goq h VAL 275 N 0.68 1.04 -0.10 2.00 2.07 -0.84 0.15 116.25 121.25 3goq h VAL 275 Ca 0.18 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 3goq h VAL 275 Cb -0.02 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.85 3goq h VAL 275 CO -0.03 0.16 -0.09 0.58 0.02 0.00 0.00 177.57 178.21 3goq h VAL 276 N 0.86 1.35 -0.78 2.57 2.07 -1.31 -1.14 116.25 119.88 3goq h VAL 276 Ca 0.32 -1.21 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 3goq h VAL 276 Cb 0.13 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 3goq h VAL 276 CO -0.15 0.34 0.30 0.71 0.02 0.00 0.00 177.57 178.79 3goq h THR 277 N -0.16 1.26 -0.92 2.57 1.35 -0.99 -1.40 112.91 114.64 3goq h THR 277 Ca 0.02 -0.83 0.03 0.00 -0.55 0.00 0.00 66.41 65.07 3goq h THR 277 Cb 0.59 0.34 -0.05 0.00 -1.73 0.00 0.00 68.15 67.30 3goq h THR 277 CO 0.02 0.34 0.60 0.44 -0.25 0.00 0.00 175.52 176.67 3goq h ASP 278 N 1.14 1.01 -0.03 5.36 5.19 -0.64 0.64 116.42 129.09 3goq h ASP 278 Ca 0.26 -0.02 -0.14 0.00 -0.62 0.00 0.00 57.03 56.52 3goq h ASP 278 Cb 0.23 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 3goq h ASP 278 CO -0.02 0.71 -0.43 -0.78 -3.12 0.00 0.00 179.24 175.60 3goq h ASP 279 N 1.18 0.60 0.34 6.45 3.58 -0.34 -2.92 116.42 125.31 3goq h ASP 279 Ca 0.36 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.53 3goq h ASP 279 Cb -0.03 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.85 3goq h ASP 279 CO -0.10 0.95 -0.28 2.30 -2.88 0.00 0.00 179.24 179.23 3goq n ILE 280 N -4.02 0.00 -1.49 2.25 -5.35 -0.61 -4.95 119.36 105.20 3goq n ILE 280 Ca -0.02 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 3goq n ILE 280 Cb 0.53 0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.68 3goq n ILE 280 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3goq n GLY 281 N 1.37 0.42 3.90 3.28 0.00 -0.34 -5.06 105.19 108.75 3goq n GLY 281 Ca 0.11 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 3goq n GLY 281 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3goq s ALA 282 N -2.00 3.82 0.39 4.61 0.00 0.07 -4.98 121.76 123.67 3goq s ALA 282 Ca 0.00 -1.16 -0.24 0.00 0.00 0.00 0.00 51.96 50.57 3goq s ALA 282 Cb 0.00 -1.61 -0.10 0.00 0.00 0.00 0.00 23.12 21.41 3goq s ALA 282 CO 0.00 0.44 1.00 -1.12 0.00 0.00 0.00 175.76 176.08 3goq s SER 283 N -3.40 6.94 -0.14 0.00 0.01 -0.33 -4.25 113.70 112.54 3goq s SER 283 Ca 0.33 1.90 -0.01 0.00 1.31 0.00 0.00 55.95 59.48 3goq s SER 283 Cb -0.10 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.54 3goq s SER 283 CO 0.27 -0.36 -0.11 -0.47 0.41 0.00 0.00 173.24 172.99 3goq s TYR 284 N -1.77 2.87 0.01 2.43 5.04 -1.26 -1.10 117.35 123.57 3goq s TYR 284 Ca 0.57 -0.56 0.02 0.00 -2.44 0.00 0.00 57.07 54.66 3goq s TYR 284 Cb -0.18 -1.88 -0.01 0.00 0.35 0.00 0.00 41.96 40.24 3goq s TYR 284 CO 0.23 -0.17 -0.07 0.71 -1.34 0.00 0.00 175.55 174.91 3goq s TYR 285 N 0.37 0.60 -0.29 4.97 2.02 -0.52 -4.99 117.35 119.51 3goq s TYR 285 Ca -0.09 -0.23 0.01 0.00 -0.37 0.00 0.00 57.07 56.39 3goq s TYR 285 Cb -0.15 -0.37 0.15 0.00 -0.40 0.00 0.00 41.96 41.19 3goq s TYR 285 CO 0.05 -0.03 0.37 0.50 -1.57 0.00 0.00 175.55 174.87 3goq s ARG 286 N -0.62 0.39 0.92 -0.62 3.00 -1.26 -0.72 118.95 120.03 3goq s ARG 286 Ca -0.02 0.05 -0.11 0.00 -1.00 0.00 0.00 55.73 54.65 3goq s ARG 286 Cb -0.05 -0.41 0.14 0.00 0.00 0.00 0.00 34.95 34.63 3goq s ARG 286 CO 0.00 -1.04 1.09 -2.14 0.00 0.00 0.00 175.30 173.22 3goq s PRO 287 N 2.49 1.07 0.35 5.12 0.02 -1.25 -4.90 135.00 137.89 3goq s PRO 287 Ca 0.10 0.94 -0.28 0.00 0.02 0.00 0.00 61.00 61.77 3goq s PRO 287 Cb -0.13 -1.78 -0.12 0.00 0.02 0.00 0.00 34.50 32.50 3goq s PRO 287 CO -0.31 -2.41 1.43 0.39 -0.33 0.00 0.00 177.00 175.78 3goq n GLU 288 N -4.01 2.46 -1.95 5.54 -0.58 -1.26 -4.98 120.64 115.86 3goq n GLU 288 Ca 0.07 0.87 -0.33 0.00 -0.42 0.00 0.00 57.16 57.35 3goq n GLU 288 Cb 0.55 -2.55 0.02 0.00 -0.57 0.00 0.00 31.44 28.89 3goq n GLU 288 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 3goq s MET 289 N -1.71 3.17 0.24 3.49 -1.94 -1.26 -4.96 119.30 116.33 3goq s MET 289 Ca 0.56 1.24 -0.06 0.00 -1.71 0.00 0.00 55.69 55.72 3goq s MET 289 Cb -0.52 -2.01 0.42 0.00 2.01 0.00 0.00 34.83 34.73 3goq s MET 289 CO 0.60 -0.93 1.72 -1.35 -0.01 0.00 0.00 175.02 175.05 3goq h PRO 290 N 0.28 0.35 0.00 2.03 0.11 -1.88 -3.47 132.00 129.42 3goq h PRO 290 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3goq h PRO 290 Cb 1.23 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3goq h PRO 290 CO 0.57 0.23 0.00 0.09 -0.21 0.00 0.00 178.00 178.68 3goq n ASN 291 N -5.06 0.00 -0.94 -2.05 3.02 -0.10 -2.30 115.26 107.83 3goq n ASN 291 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 3goq n ASN 291 Cb 0.40 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.77 3goq n ASN 291 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3goq n ALA 292 N 8.93 3.87 -1.77 5.41 0.00 -1.26 -4.85 120.51 130.84 3goq n ALA 292 Ca 0.00 -3.03 -0.40 0.00 0.00 0.00 0.00 53.44 50.01 3goq n ALA 292 Cb 0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 19.45 18.81 3goq n ALA 292 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3goq s LYS 293 N -3.17 4.01 0.29 0.00 1.02 -0.97 -4.76 119.74 116.17 3goq s LYS 293 Ca 0.42 2.32 0.03 0.00 0.02 0.00 0.00 55.97 58.77 3goq s LYS 293 Cb 0.38 -2.84 0.75 0.00 -0.52 0.00 0.00 37.83 35.59 3goq s LYS 293 CO -0.00 -0.52 1.65 -1.35 -0.92 0.00 0.00 175.35 174.21 3goq h PRO 294 N 2.81 0.22 -0.97 -1.68 0.11 -1.96 -1.15 132.00 129.38 3goq h PRO 294 Ca -0.50 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.61 3goq h PRO 294 Cb 1.25 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 3goq h PRO 294 CO 0.63 0.15 0.64 1.49 -0.21 0.00 0.00 178.00 180.70 3goq h GLU 295 N 0.23 1.27 -0.08 1.05 4.81 -1.96 -0.86 114.58 119.04 3goq h GLU 295 Ca 0.57 -0.08 -0.20 0.00 -0.13 0.00 0.00 59.36 59.52 3goq h GLU 295 Cb 1.16 -0.29 0.01 0.00 0.63 0.00 0.00 28.75 30.27 3goq h GLU 295 CO -0.64 0.84 -0.75 0.35 -0.73 0.00 0.00 179.01 178.08 3goq h PHE 296 N 1.31 0.90 -0.77 0.92 3.57 -1.63 -2.52 116.94 118.72 3goq h PHE 296 Ca 0.36 -0.44 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 3goq h PHE 296 Cb -0.15 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.43 3goq h PHE 296 CO -0.00 1.26 0.48 0.82 -2.23 0.00 0.00 178.31 178.63 3goq h ILE 297 N 0.30 1.21 -0.62 1.41 1.08 -1.02 -0.98 117.51 118.88 3goq h ILE 297 Ca -0.07 -0.44 -0.06 0.00 -0.39 0.00 0.00 64.86 63.90 3goq h ILE 297 Cb 1.40 0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 35.24 3goq h ILE 297 CO 0.15 0.22 0.17 -0.78 -0.69 0.00 0.00 178.15 177.22 3goq h ASP 298 N 1.06 0.92 -0.18 1.72 3.58 -1.11 -0.59 116.42 121.83 3goq h ASP 298 Ca 0.28 -0.22 0.03 0.00 0.42 0.00 0.00 57.03 57.54 3goq h ASP 298 Cb -0.06 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.71 3goq h ASP 298 CO -0.05 0.90 -0.04 0.00 -2.88 0.00 0.00 179.24 177.17 3goq h ALA 299 N 1.05 0.12 -0.92 -0.78 0.00 -0.88 -0.74 119.26 117.12 3goq h ALA 299 Ca 0.20 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3goq h ALA 299 Cb 0.33 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3goq h ALA 299 CO -0.00 -0.47 0.60 -0.07 0.00 0.00 0.00 179.25 179.31 3goq h LEU 300 N 0.01 1.03 -0.64 0.00 3.38 -1.00 -1.48 115.31 116.61 3goq h LEU 300 Ca 0.08 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3goq h LEU 300 Cb 0.12 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3goq h LEU 300 CO -0.17 0.73 0.27 0.00 0.09 0.00 0.00 178.44 179.36 3goq h ALA 301 N 1.35 0.83 -0.67 1.53 0.00 -0.82 -1.58 119.26 119.91 3goq h ALA 301 Ca 0.35 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3goq h ALA 301 Cb -0.09 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3goq h ALA 301 CO -0.09 0.43 0.33 1.15 0.00 0.00 0.00 179.25 181.08 3goq h THR 302 N 0.90 1.22 -0.45 0.00 2.02 -0.79 -1.24 112.91 114.57 3goq h THR 302 Ca 0.22 -0.60 0.05 0.00 0.77 0.00 0.00 66.41 66.84 3goq h THR 302 Cb 0.18 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 3goq h THR 302 CO -0.02 0.25 0.20 0.58 0.37 0.00 0.00 175.52 176.91 3goq h VAL 303 N 0.92 0.92 -0.08 3.16 2.07 -0.85 0.08 116.25 122.48 3goq h VAL 303 Ca 0.23 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 3goq h VAL 303 Cb 0.10 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3goq h VAL 303 CO -0.03 0.07 -0.01 0.58 0.02 0.00 0.00 177.57 178.21 3goq h VAL 304 N 0.41 1.27 -0.54 2.57 2.07 -1.00 -2.13 116.25 118.89 3goq h VAL 304 Ca 0.20 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.78 3goq h VAL 304 Cb 0.15 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3goq h VAL 304 CO -0.17 0.24 -0.04 -0.07 0.02 0.00 0.00 177.57 177.55 3goq h LEU 305 N -0.15 0.93 -1.12 2.57 3.38 -1.14 -2.30 115.31 117.49 3goq h LEU 305 Ca 0.02 -0.27 0.07 0.00 0.09 0.00 0.00 57.88 57.80 3goq h LEU 305 Cb 0.37 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 3goq h LEU 305 CO 0.01 1.01 0.60 0.11 0.09 0.00 0.00 178.44 180.26 3goq h LYS 306 N 0.86 1.01 -0.20 1.13 1.57 -0.92 -1.91 116.57 118.11 3goq h LYS 306 Ca 0.15 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 3goq h LYS 306 Cb 0.57 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3goq h LYS 306 CO 0.03 0.67 -0.18 -0.22 -0.57 0.00 0.00 179.45 179.18 3goq h LYS 307 N 1.04 0.34 -0.05 3.15 1.63 -0.84 -1.17 116.57 120.67 3goq h LYS 307 Ca 0.41 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 60.10 3goq h LYS 307 Cb 0.23 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 3goq h LYS 307 CO -0.16 0.52 0.00 1.28 -3.45 0.00 0.00 179.45 177.64 3goq n LEU 308 N -4.20 1.14 0.00 5.20 4.77 -0.92 -5.10 117.00 117.89 3goq n LEU 308 Ca -0.00 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 3goq n LEU 308 Cb 0.33 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3goq n LEU 308 CO 0.40 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.28