#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwp n THR 31 N 0.00 1.24 0.00 3.15 -1.04 -1.26 -3.12 114.28 113.24 1pwp n THR 31 Ca 0.00 0.31 0.00 0.00 -2.04 0.00 0.00 64.05 62.32 1pwp n THR 31 Cb 0.00 -1.29 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 1pwp n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pwp n GLN 32 N -1.32 0.00 -0.34 -2.82 10.64 -1.26 -0.96 117.38 121.32 1pwp n GLN 32 Ca 0.00 0.58 0.34 0.00 -1.83 0.00 0.00 57.00 56.09 1pwp n GLN 32 Cb 0.01 -1.31 0.71 0.00 -0.86 0.00 0.00 30.24 28.79 1pwp n GLN 32 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 1pwp h GLU 33 N 0.00 0.07 -0.12 2.61 5.08 -1.99 0.24 114.58 120.47 1pwp h GLU 33 Ca 0.00 -0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1pwp h GLU 33 Cb 0.00 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.24 1pwp h GLU 33 CO 0.00 0.05 -0.61 1.49 -1.00 0.00 0.00 179.01 178.94 1pwp h GLU 34 N 0.07 0.62 -0.62 2.33 4.22 -1.59 -1.39 114.58 118.22 1pwp h GLU 34 Ca 0.59 -0.51 0.10 0.00 0.08 0.00 0.00 59.36 59.62 1pwp h GLU 34 Cb 2.20 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 31.48 1pwp h GLU 34 CO -0.07 1.13 0.21 1.25 -2.18 0.00 0.00 179.01 179.35 1pwp h HIS 35 N 0.27 0.36 -0.33 0.92 2.76 0.13 0.29 115.15 119.55 1pwp h HIS 35 Ca -0.04 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.02 1pwp h HIS 35 Cb 1.25 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 30.14 1pwp h HIS 35 CO 0.10 0.06 -0.36 -0.07 -1.30 0.00 0.00 177.93 176.37 1pwp h LEU 36 N 0.38 0.80 0.19 0.26 4.07 -1.42 -1.73 115.31 117.86 1pwp h LEU 36 Ca 0.32 -0.34 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 1pwp h LEU 36 Cb 0.43 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.95 1pwp h LEU 36 CO -0.34 1.08 -0.09 0.11 -1.08 0.00 0.00 178.44 178.12 1pwp h LYS 37 N 0.63 -0.24 0.03 1.13 1.57 -0.06 0.22 116.57 119.85 1pwp h LYS 37 Ca 0.06 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1pwp h LYS 37 Cb 0.90 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.21 1pwp h LYS 37 CO 0.08 -0.02 -0.42 1.49 -0.57 0.00 0.00 179.45 180.00 1pwp h GLU 38 N -0.43 -0.58 -0.55 3.15 4.57 -0.46 -0.81 114.58 119.47 1pwp h GLU 38 Ca -0.03 0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.24 1pwp h GLU 38 Cb 0.33 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.01 1pwp h GLU 38 CO 0.04 -0.39 0.29 0.82 -1.18 0.00 0.00 179.01 178.60 1pwp h ILE 39 N -0.60 0.98 -0.43 2.32 1.08 -1.30 -2.96 117.51 116.60 1pwp h ILE 39 Ca 0.04 -0.20 -0.06 0.00 -0.39 0.00 0.00 64.86 64.25 1pwp h ILE 39 Cb 0.66 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 1pwp h ILE 39 CO -0.30 0.10 -0.00 0.24 -0.69 0.00 0.00 178.15 177.50 1pwp h MET 40 N 0.57 0.69 0.00 2.37 2.86 -0.51 -2.42 114.93 118.49 1pwp h MET 40 Ca 0.24 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1pwp h MET 40 Cb 0.12 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1pwp h MET 40 CO -0.15 0.71 0.00 1.57 1.06 0.00 0.00 176.91 180.10 1pwp h LYS 41 N 0.65 0.00 0.00 1.72 2.10 -0.98 0.13 116.57 120.19 1pwp h LYS 41 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 1pwp h LYS 41 Cb 0.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 1pwp h LYS 41 CO 0.02 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.19 1pwp n HIS 42 N -3.00 0.00 0.20 0.07 8.25 -0.93 -4.58 115.22 115.23 1pwp n HIS 42 Ca -0.02 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.48 1pwp n HIS 42 Cb 0.11 -0.22 0.42 0.00 1.12 0.00 0.00 29.99 31.42 1pwp n HIS 42 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 1pwp h ILE 43 N 0.00 1.16 -3.28 1.59 3.07 -1.55 -3.43 117.51 115.06 1pwp h ILE 43 Ca 0.00 -1.11 -0.58 0.00 1.55 0.00 0.00 64.86 64.72 1pwp h ILE 43 Cb 0.00 1.61 -0.07 0.00 -0.27 0.00 0.00 36.82 38.09 1pwp h ILE 43 CO 0.00 0.31 0.44 -0.69 -1.05 0.00 0.00 178.15 177.15 1pwp s VAL 44 N -4.24 4.86 -0.19 0.16 1.01 0.44 0.01 120.40 122.45 1pwp s VAL 44 Ca -0.03 1.69 0.01 0.00 0.00 0.00 0.00 61.98 63.65 1pwp s VAL 44 Cb 0.14 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.39 1pwp s VAL 44 CO 0.71 0.01 -0.17 -0.54 0.00 0.00 0.00 175.10 175.10 1pwp s LYS 45 N 2.25 2.67 -0.19 2.72 3.01 0.51 -4.72 119.74 125.99 1pwp s LYS 45 Ca 0.39 -0.84 -0.13 0.00 -1.01 0.00 0.00 55.97 54.38 1pwp s LYS 45 Cb -0.16 -2.50 -0.05 0.00 -1.01 0.00 0.00 37.83 34.11 1pwp s LYS 45 CO 0.12 -0.28 0.26 0.42 0.51 0.00 0.00 175.35 176.38 1pwp s ILE 46 N 1.32 5.31 -0.41 2.17 1.09 -1.26 -1.40 121.20 128.02 1pwp s ILE 46 Ca 0.03 0.45 0.09 0.00 -1.10 0.00 0.00 60.65 60.11 1pwp s ILE 46 Cb -0.14 -3.60 0.29 0.00 -1.06 0.00 0.00 42.46 37.95 1pwp s ILE 46 CO -0.11 0.36 0.72 -0.62 -0.10 0.00 0.00 174.94 175.19 1pwp n GLU 47 N 3.89 0.85 -1.52 2.79 1.02 -0.86 -4.97 120.64 121.83 1pwp n GLU 47 Ca -0.12 -2.88 -0.01 0.00 -0.02 0.00 0.00 57.16 54.12 1pwp n GLU 47 Cb 0.52 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 1pwp n GLU 47 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1pwp n VAL 48 N 0.94 0.00 0.00 2.62 0.24 -1.26 -4.48 118.33 116.39 1pwp n VAL 48 Ca 0.19 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1pwp n VAL 48 Cb 0.61 -0.57 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 1pwp n VAL 48 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1pwp n LYS 49 N -0.66 0.00 -0.10 7.34 5.02 -1.26 -4.89 118.16 123.60 1pwp n LYS 49 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1pwp n LYS 49 Cb 0.03 -0.06 0.04 0.00 -0.02 0.00 0.00 35.03 35.03 1pwp n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pwp n GLY 50 N 2.69 2.01 1.39 0.72 0.00 -1.26 -4.70 105.19 106.04 1pwp n GLY 50 Ca 0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 1pwp n GLY 50 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pwp n GLU 51 N -0.60 2.46 -0.81 1.61 4.71 -1.26 -4.93 120.64 121.83 1pwp n GLU 51 Ca 0.05 -3.59 -0.39 0.00 -0.01 0.00 0.00 57.16 53.22 1pwp n GLU 51 Cb 0.49 -1.96 -0.07 0.00 -1.01 0.00 0.00 31.44 28.89 1pwp n GLU 51 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1pwp n GLU 52 N -0.96 0.96 0.00 3.49 1.02 -1.26 -0.44 120.64 123.45 1pwp n GLU 52 Ca 0.35 -1.43 0.00 0.00 -0.02 0.00 0.00 57.16 56.06 1pwp n GLU 52 Cb 0.88 -2.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.64 1pwp n GLU 52 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pwp n ALA 53 N 7.46 0.00 -0.06 0.62 0.00 -1.26 -4.76 120.51 122.51 1pwp n ALA 53 Ca 0.45 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.71 1pwp n ALA 53 Cb 0.35 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.67 1pwp n ALA 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pwp n VAL 54 N -0.05 1.62 0.10 0.00 0.31 0.42 -3.15 118.33 117.57 1pwp n VAL 54 Ca 0.00 -0.66 -0.22 0.00 -0.01 0.00 0.00 64.34 63.46 1pwp n VAL 54 Cb 0.00 -1.42 -0.15 0.00 -0.91 0.00 0.00 33.84 31.36 1pwp n VAL 54 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1pwp h LYS 55 N 0.03 0.40 0.00 5.55 1.57 -1.63 -2.24 116.57 120.26 1pwp h LYS 55 Ca -0.48 -0.69 0.00 0.00 -1.87 0.00 0.00 60.65 57.61 1pwp h LYS 55 Cb 2.00 0.26 0.00 0.00 0.08 0.00 0.00 32.23 34.57 1pwp h LYS 55 CO 0.01 1.31 0.00 -0.22 -0.57 0.00 0.00 179.45 179.98 1pwp h LYS 56 N 0.11 0.00 0.00 3.15 3.11 -1.75 -1.43 116.57 119.77 1pwp h LYS 56 Ca -0.28 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.56 1pwp h LYS 56 Cb 2.10 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.33 1pwp h LYS 56 CO 0.21 0.00 -1.68 -1.91 -2.81 0.00 0.00 179.45 173.26 1pwp n GLU 57 N -2.86 0.50 0.00 1.90 0.00 -1.19 -3.83 120.64 115.16 1pwp n GLU 57 Ca 0.00 -0.13 -0.18 0.00 0.00 0.00 0.00 57.16 56.85 1pwp n GLU 57 Cb 0.23 -1.54 -0.09 0.00 0.00 0.00 0.00 31.44 30.04 1pwp n GLU 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1pwp h ALA 58 N 2.24 0.18 -0.59 4.31 0.00 -0.64 -3.02 119.26 121.74 1pwp h ALA 58 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 1pwp h ALA 58 Cb 0.88 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1pwp h ALA 58 CO 0.00 0.56 0.28 0.00 0.00 0.00 0.00 179.25 180.09 1pwp h ALA 59 N 0.44 0.75 -0.43 0.00 0.00 -1.57 -1.85 119.26 116.61 1pwp h ALA 59 Ca -0.08 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.75 1pwp h ALA 59 Cb 1.43 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1pwp h ALA 59 CO 0.16 0.32 0.29 0.93 0.00 0.00 0.00 179.25 180.94 1pwp h GLU 60 N 0.80 0.39 -0.34 0.00 5.08 -1.66 -0.72 114.58 118.13 1pwp h GLU 60 Ca 0.20 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.37 1pwp h GLU 60 Cb 0.12 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1pwp h GLU 60 CO -0.03 0.26 -0.46 0.87 -1.00 0.00 0.00 179.01 178.65 1pwp h LYS 61 N 0.40 0.91 0.22 2.33 1.79 -1.22 -2.62 116.57 118.38 1pwp h LYS 61 Ca 0.18 -0.52 -0.01 0.00 -2.18 0.00 0.00 60.65 58.12 1pwp h LYS 61 Cb 0.23 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1pwp h LYS 61 CO -0.04 1.17 -0.11 1.25 -1.08 0.00 0.00 179.45 180.64 1pwp h LEU 62 N 0.71 -0.25 -1.74 2.94 5.85 -0.69 -3.27 115.31 118.86 1pwp h LEU 62 Ca 0.04 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1pwp h LEU 62 Cb 1.06 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 1pwp h LEU 62 CO 0.11 0.19 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.18 1pwp h LEU 63 N -0.76 0.00 -2.06 2.25 3.38 -1.28 -2.95 115.31 113.89 1pwp h LEU 63 Ca -0.03 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.05 1pwp h LEU 63 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1pwp h LEU 63 CO 0.05 0.15 0.32 -0.08 0.09 0.00 0.00 178.44 178.97 1pwp h GLU 64 N 0.00 0.00 0.00 1.13 4.81 -1.51 -0.10 114.58 118.91 1pwp h GLU 64 Ca -0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1pwp h GLU 64 Cb 0.42 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1pwp h GLU 64 CO 0.02 0.00 -0.30 0.87 -0.73 0.00 0.00 179.01 178.87 1pwp h LYS 65 N 0.00 0.00 -6.78 1.92 6.56 -1.68 -3.45 116.57 113.15 1pwp h LYS 65 Ca 0.18 0.00 -0.50 0.00 -1.06 0.00 0.00 60.65 59.27 1pwp h LYS 65 Cb 0.81 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.48 1pwp h LYS 65 CO -0.00 0.30 0.43 0.08 -2.06 0.00 0.00 179.45 178.20 1pwp s VAL 66 N -3.66 3.70 0.01 0.50 1.01 -0.05 -4.96 120.40 116.95 1pwp s VAL 66 Ca 0.00 1.71 -0.31 0.00 0.00 0.00 0.00 61.98 63.38 1pwp s VAL 66 Cb 0.11 -4.09 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 1pwp s VAL 66 CO 0.66 0.40 1.96 -2.65 0.00 0.00 0.00 175.10 175.47 1pwp n PRO 67 N 1.33 2.72 -0.28 2.72 -0.02 -1.26 -4.83 135.00 135.38 1pwp n PRO 67 Ca -0.01 1.00 0.26 0.00 -2.02 0.00 0.00 63.50 62.72 1pwp n PRO 67 Cb 0.46 -2.93 0.48 0.00 -0.02 0.00 0.00 33.50 31.49 1pwp n PRO 67 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1pwp n SER 68 N 7.35 0.26 0.23 2.55 2.88 -1.26 -0.36 113.62 125.26 1pwp n SER 68 Ca 0.21 1.44 0.08 0.00 -1.33 0.00 0.00 58.87 59.26 1pwp n SER 68 Cb 0.38 -0.68 0.54 0.00 -0.75 0.00 0.00 64.21 63.70 1pwp n SER 68 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1pwp h ASP 69 N 0.00 0.00 1.54 -3.46 3.32 -1.97 -2.50 116.42 113.34 1pwp h ASP 69 Ca 0.71 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.76 1pwp h ASP 69 Cb 1.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.40 1pwp h ASP 69 CO -0.68 0.22 0.00 -0.37 -1.72 0.00 0.00 179.24 176.69 1pwp h VAL 70 N 0.00 0.00 0.08 -1.35 -1.51 -1.07 -2.61 116.25 109.79 1pwp h VAL 70 Ca -0.00 -0.65 -0.27 0.00 -1.23 0.00 0.00 66.70 64.54 1pwp h VAL 70 Cb 0.48 1.62 0.02 0.00 -2.13 0.00 0.00 31.29 31.28 1pwp h VAL 70 CO 0.03 0.00 -1.15 -0.07 -1.23 0.00 0.00 177.57 175.15 1pwp h LEU 71 N 0.00 0.73 -0.64 4.19 4.07 -1.50 -2.70 115.31 119.45 1pwp h LEU 71 Ca 0.00 -0.66 -0.15 0.00 0.08 0.00 0.00 57.88 57.16 1pwp h LEU 71 Cb 0.77 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.27 1pwp h LEU 71 CO 0.00 1.47 -0.56 -0.08 -1.08 0.00 0.00 178.44 178.19 1pwp h GLU 72 N 0.25 0.35 -0.03 1.13 4.81 -1.45 -1.97 114.58 117.68 1pwp h GLU 72 Ca -0.15 -0.22 -0.06 0.00 -0.13 0.00 0.00 59.36 58.79 1pwp h GLU 72 Cb 1.82 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.22 1pwp h GLU 72 CO 0.21 0.82 -0.28 0.52 -0.73 0.00 0.00 179.01 179.55 1pwp h MET 73 N 0.27 0.05 -0.05 1.92 2.86 -1.49 0.28 114.93 118.76 1pwp h MET 73 Ca 0.00 -0.01 -0.21 0.00 -2.06 0.00 0.00 59.70 57.42 1pwp h MET 73 Cb 1.06 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.72 1pwp h MET 73 CO 0.09 0.33 -0.82 -0.92 1.06 0.00 0.00 176.91 176.65 1pwp h TYR 74 N 0.04 0.63 -0.41 -0.22 -0.00 -1.14 -2.83 116.97 113.04 1pwp h TYR 74 Ca 0.01 -0.31 -0.12 0.00 -0.00 0.00 0.00 58.73 58.31 1pwp h TYR 74 Cb 0.52 -0.09 -0.01 0.00 -0.00 0.00 0.00 36.73 37.15 1pwp h TYR 74 CO 0.00 1.10 -0.24 -0.22 -0.00 0.00 0.00 178.16 178.80 1pwp h LYS 75 N 0.29 0.83 -0.60 1.82 3.64 -0.67 0.34 116.57 122.21 1pwp h LYS 75 Ca -0.05 -0.35 0.10 0.00 -1.27 0.00 0.00 60.65 59.08 1pwp h LYS 75 Cb 1.43 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 33.14 1pwp h LYS 75 CO 0.14 0.98 0.19 0.00 -2.27 0.00 0.00 179.45 178.49 1pwp h ALA 76 N 1.01 0.75 -0.30 5.00 0.00 -0.26 -1.31 119.26 124.15 1pwp h ALA 76 Ca 0.09 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1pwp h ALA 76 Cb 0.77 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1pwp h ALA 76 CO 0.06 -0.24 0.00 0.44 0.00 0.00 0.00 179.25 179.51 1pwp n ILE 77 N -5.05 0.88 -1.08 0.00 -5.35 -1.09 -4.90 119.36 102.78 1pwp n ILE 77 Ca 0.09 -0.55 -0.01 0.00 -0.27 0.00 0.00 62.75 62.00 1pwp n ILE 77 Cb 0.30 -0.11 -0.01 0.00 -1.74 0.00 0.00 39.64 38.08 1pwp n ILE 77 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pwp n GLY 78 N 0.64 0.47 3.86 3.28 0.00 -0.49 -4.62 105.19 108.32 1pwp n GLY 78 Ca 0.12 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 1pwp n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pwp s GLY 79 N -2.98 1.89 0.01 -0.02 0.00 0.12 -4.31 107.32 102.02 1pwp s GLY 79 Ca 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 44.72 44.72 1pwp s GLY 79 CO 0.00 0.31 0.08 0.54 0.00 0.00 0.00 173.10 174.03 1pwp s LYS 80 N -4.51 0.41 -0.16 2.90 1.02 -1.17 -4.47 119.74 113.76 1pwp s LYS 80 Ca 0.57 -0.45 -0.02 0.00 0.02 0.00 0.00 55.97 56.09 1pwp s LYS 80 Cb -0.10 0.17 -0.01 0.00 -0.52 0.00 0.00 37.83 37.36 1pwp s LYS 80 CO 0.40 -0.09 -0.09 0.42 -0.92 0.00 0.00 175.35 175.08 1pwp s ILE 81 N -1.35 3.27 -0.22 2.17 1.01 0.10 -0.83 121.20 125.35 1pwp s ILE 81 Ca -0.15 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1pwp s ILE 81 Cb -0.08 -2.42 0.03 0.00 0.01 0.00 0.00 42.46 39.99 1pwp s ILE 81 CO 0.01 0.49 -0.13 -0.31 0.00 0.00 0.00 174.94 175.00 1pwp s TYR 82 N 0.73 2.97 -0.39 3.97 1.51 0.48 -0.37 117.35 126.24 1pwp s TYR 82 Ca -0.04 -1.66 -0.20 0.00 -1.01 0.00 0.00 57.07 54.16 1pwp s TYR 82 Cb -0.15 -1.98 0.01 0.00 -0.11 0.00 0.00 41.96 39.73 1pwp s TYR 82 CO 0.02 -0.77 0.63 0.42 -1.11 0.00 0.00 175.55 174.74 1pwp s ILE 83 N 1.29 4.87 0.38 2.71 1.09 -0.50 -1.66 121.20 129.39 1pwp s ILE 83 Ca 0.01 0.35 0.04 0.00 -1.10 0.00 0.00 60.65 59.95 1pwp s ILE 83 Cb -0.15 -4.12 -0.04 0.00 -1.06 0.00 0.00 42.46 37.08 1pwp s ILE 83 CO -0.08 -0.43 0.09 0.68 -0.10 0.00 0.00 174.94 175.10 1pwp s VAL 84 N 2.73 0.89 0.16 2.92 -7.23 -0.01 -2.02 120.40 117.84 1pwp s VAL 84 Ca 0.23 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.46 1pwp s VAL 84 Cb -0.14 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1pwp s VAL 84 CO 0.17 0.00 0.04 -1.81 -0.31 0.00 0.00 175.10 173.19 1pwp s ASP 85 N -3.58 5.04 0.96 4.85 -0.00 -1.26 -1.03 116.67 121.64 1pwp s ASP 85 Ca 0.27 -0.28 0.00 0.00 -0.00 0.00 0.00 52.55 52.54 1pwp s ASP 85 Cb 0.05 -1.18 0.00 0.00 -0.00 0.00 0.00 42.92 41.79 1pwp s ASP 85 CO 0.14 0.10 0.00 0.61 -0.00 0.00 0.00 175.17 176.01 1pwp n GLY 86 N -0.08 1.04 3.64 0.21 0.00 -1.26 -4.62 105.19 104.13 1pwp n GLY 86 Ca -0.09 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 1pwp n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pwp s ASP 87 N -4.00 6.18 0.55 1.61 3.68 -1.26 -4.86 116.67 118.58 1pwp s ASP 87 Ca 0.00 2.40 0.33 0.00 2.13 0.00 0.00 52.55 57.42 1pwp s ASP 87 Cb 0.00 -2.53 1.49 0.00 -1.45 0.00 0.00 42.92 40.44 1pwp s ASP 87 CO 0.00 -1.30 2.04 0.16 0.13 0.00 0.00 175.17 176.20 1pwp h ILE 88 N 6.06 0.16 0.00 4.11 3.07 -1.82 -2.11 117.51 127.00 1pwp h ILE 88 Ca -0.46 -0.52 -0.03 0.00 1.55 0.00 0.00 64.86 65.40 1pwp h ILE 88 Cb 1.23 1.44 -0.00 0.00 -0.27 0.00 0.00 36.82 39.22 1pwp h ILE 88 CO 0.95 0.05 -0.13 0.74 -1.05 0.00 0.00 178.15 178.71 1pwp h THR 89 N 0.00 0.62 -0.01 0.16 2.02 -1.89 -3.13 112.91 110.68 1pwp h THR 89 Ca -0.00 -0.57 -0.08 0.00 0.77 0.00 0.00 66.41 66.53 1pwp h THR 89 Cb 0.44 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 1pwp h THR 89 CO 0.01 0.13 -0.15 1.17 0.37 0.00 0.00 175.52 177.05 1pwp n LYS 90 N -3.70 1.41 -4.42 6.66 4.81 -0.79 -4.57 118.16 117.55 1pwp n LYS 90 Ca -0.02 -0.42 -0.22 0.00 -0.87 0.00 0.00 58.31 56.78 1pwp n LYS 90 Cb 0.25 -1.40 -0.13 0.00 0.02 0.00 0.00 35.03 33.76 1pwp n LYS 90 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1pwp s HIS 91 N 0.37 1.53 0.30 5.64 2.46 -1.19 -5.04 115.29 119.36 1pwp s HIS 91 Ca 0.27 -0.38 0.02 0.00 0.47 0.00 0.00 55.06 55.43 1pwp s HIS 91 Cb 0.13 -0.89 0.56 0.00 -0.13 0.00 0.00 32.58 32.25 1pwp s HIS 91 CO -0.00 0.09 1.88 -0.84 -2.47 0.00 0.00 174.74 173.39 1pwp h ILE 92 N 4.36 0.99 0.00 0.89 3.07 -1.92 -2.35 117.51 122.55 1pwp h ILE 92 Ca -0.41 -0.34 -0.02 0.00 1.55 0.00 0.00 64.86 65.64 1pwp h ILE 92 Cb 1.17 -0.09 -0.00 0.00 -0.27 0.00 0.00 36.82 37.63 1pwp h ILE 92 CO 0.43 0.18 -0.08 0.77 -1.05 0.00 0.00 178.15 178.40 1pwp h SER 93 N 0.99 0.00 -0.35 2.16 4.64 -1.96 -2.91 113.55 116.13 1pwp h SER 93 Ca 0.44 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.66 1pwp h SER 93 Cb 0.36 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.39 1pwp h SER 93 CO -0.20 0.08 0.02 0.18 -0.87 0.00 0.00 176.83 176.04 1pwp n LEU 94 N -3.42 4.22 0.04 5.97 4.77 -0.89 -4.60 117.00 123.09 1pwp n LEU 94 Ca -0.01 -3.32 -0.20 0.00 -0.03 0.00 0.00 56.01 52.44 1pwp n LEU 94 Cb 0.23 -0.60 -0.14 0.00 -2.33 0.00 0.00 43.42 40.57 1pwp n LEU 94 CO 0.28 0.90 0.02 -0.08 -1.33 0.00 0.00 177.39 177.18 1pwp h GLU 95 N 1.52 0.27 0.00 3.23 4.57 -1.48 -3.22 114.58 119.47 1pwp h GLU 95 Ca 0.12 -0.46 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 1pwp h GLU 95 Cb 1.63 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 30.40 1pwp h GLU 95 CO 0.35 1.22 0.00 0.00 -1.18 0.00 0.00 179.01 179.40 1pwp n ALA 96 N -2.70 1.70 -1.89 2.92 0.00 -1.26 -4.73 120.51 114.54 1pwp n ALA 96 Ca -0.15 -0.02 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 1pwp n ALA 96 Cb 0.81 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 1pwp n ALA 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pwp s LEU 97 N -1.69 4.37 0.66 0.00 1.43 -1.22 -4.95 118.68 117.27 1pwp s LEU 97 Ca 0.06 2.46 -0.17 0.00 -1.03 0.00 0.00 54.13 55.45 1pwp s LEU 97 Cb 0.03 -3.55 -0.00 0.00 0.03 0.00 0.00 46.19 42.69 1pwp s LEU 97 CO 0.04 -0.94 1.25 -0.94 0.23 0.00 0.00 176.35 175.99 1pwp s SER 98 N 3.12 4.65 0.00 2.29 1.04 -1.26 -4.80 113.70 118.74 1pwp s SER 98 Ca 0.77 2.48 -0.00 0.00 0.48 0.00 0.00 55.95 59.68 1pwp s SER 98 Cb -0.39 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.12 1pwp s SER 98 CO 0.34 -1.96 1.15 -0.62 0.98 0.00 0.00 173.24 173.12 1pwp n GLU 99 N -2.04 0.58 0.00 4.02 -0.58 -1.26 -2.57 120.64 118.78 1pwp n GLU 99 Ca 0.15 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1pwp n GLU 99 Cb 0.49 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 30.11 1pwp n GLU 99 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1pwp n ASP 100 N 1.77 0.02 -0.04 1.62 2.03 -1.26 -4.76 116.55 115.92 1pwp n ASP 100 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1pwp n ASP 100 Cb 0.29 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 1pwp n ASP 100 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1pwp n LYS 101 N -2.59 0.41 0.00 -0.67 5.02 -1.06 -2.23 118.16 117.04 1pwp n LYS 101 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.43 1pwp n LYS 101 Cb 0.11 -1.02 0.54 0.00 -0.02 0.00 0.00 35.03 34.64 1pwp n LYS 101 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pwp n LYS 102 N -0.43 0.01 -4.06 1.97 4.76 -1.25 -4.68 118.16 114.47 1pwp n LYS 102 Ca 0.00 -0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.11 1pwp n LYS 102 Cb 0.01 -1.50 -0.15 0.00 -1.84 0.00 0.00 35.03 31.55 1pwp n LYS 102 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1pwp s LYS 103 N -2.99 2.91 0.44 1.97 2.20 -0.94 0.87 119.74 124.20 1pwp s LYS 103 Ca 0.14 -0.90 0.06 0.00 -0.36 0.00 0.00 55.97 54.90 1pwp s LYS 103 Cb 0.19 -2.73 -0.05 0.00 -1.51 0.00 0.00 37.83 33.73 1pwp s LYS 103 CO 0.57 -0.29 0.09 0.42 -0.36 0.00 0.00 175.35 175.78 1pwp s ILE 104 N 1.29 1.88 -0.07 5.43 -1.09 -1.21 -4.91 121.20 122.53 1pwp s ILE 104 Ca 0.02 -1.87 0.04 0.00 -2.23 0.00 0.00 60.65 56.62 1pwp s ILE 104 Cb -0.15 -2.75 -0.02 0.00 -1.58 0.00 0.00 42.46 37.97 1pwp s ILE 104 CO -0.09 0.00 -0.19 -0.54 -1.23 0.00 0.00 174.94 172.89 1pwp s LYS 105 N -3.85 2.67 0.89 2.79 1.02 -1.26 0.10 119.74 122.10 1pwp s LYS 105 Ca 0.30 -0.78 -0.13 0.00 0.02 0.00 0.00 55.97 55.38 1pwp s LYS 105 Cb 0.05 -2.33 0.13 0.00 -0.52 0.00 0.00 37.83 35.16 1pwp s LYS 105 CO 0.16 0.46 1.17 0.16 -0.92 0.00 0.00 175.35 176.38 1pwp s ASP 106 N -0.31 3.71 0.64 2.83 3.84 -1.04 -4.84 116.67 121.50 1pwp s ASP 106 Ca 0.02 0.81 0.29 0.00 -0.00 0.00 0.00 52.55 53.66 1pwp s ASP 106 Cb -0.13 -1.28 1.56 0.00 -1.38 0.00 0.00 42.92 41.69 1pwp s ASP 106 CO 0.02 -2.41 1.91 -0.29 -0.00 0.00 0.00 175.17 174.40 1pwp h ILE 107 N -1.40 0.14 -0.01 2.11 2.10 -1.92 0.15 117.51 118.67 1pwp h ILE 107 Ca -0.48 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.46 1pwp h ILE 107 Cb 1.32 0.65 0.00 0.00 -1.09 0.00 0.00 36.82 37.70 1pwp h ILE 107 CO 0.60 0.00 -0.06 -1.22 -1.08 0.00 0.00 178.15 176.38 1pwp n TYR 108 N -3.19 0.00 -0.63 2.19 4.02 -1.26 -4.95 117.16 113.34 1pwp n TYR 108 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 1pwp n TYR 108 Cb 0.48 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.77 1pwp n TYR 108 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pwp n GLY 109 N 1.23 0.65 3.72 2.72 0.00 0.53 -5.06 105.19 108.98 1pwp n GLY 109 Ca 0.17 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1pwp n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pwp s LYS 110 N -0.80 4.25 0.32 1.61 1.02 -1.26 -4.84 119.74 120.04 1pwp s LYS 110 Ca 0.00 0.13 -0.29 0.00 0.02 0.00 0.00 55.97 55.82 1pwp s LYS 110 Cb 0.00 -3.45 -0.12 0.00 -0.52 0.00 0.00 37.83 33.75 1pwp s LYS 110 CO 0.00 0.18 1.53 -0.25 -0.92 0.00 0.00 175.35 175.89 1pwp n ASP 111 N 3.75 3.70 -0.97 2.83 10.43 -1.26 -2.50 116.55 132.53 1pwp n ASP 111 Ca -0.11 1.18 0.00 0.00 2.57 0.00 0.00 54.79 58.43 1pwp n ASP 111 Cb 0.52 -1.59 0.00 0.00 1.84 0.00 0.00 41.12 41.89 1pwp n ASP 111 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1pwp n ALA 112 N 1.41 0.00 -3.71 2.24 0.00 0.12 -4.94 120.51 115.62 1pwp n ALA 112 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.33 1pwp n ALA 112 Cb 0.37 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.66 1pwp n ALA 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pwp s LEU 113 N 0.00 0.42 0.32 0.00 1.43 -1.26 -3.34 118.68 116.26 1pwp s LEU 113 Ca 0.00 0.20 0.09 0.00 -1.03 0.00 0.00 54.13 53.39 1pwp s LEU 113 Cb 0.00 0.12 0.93 0.00 0.03 0.00 0.00 46.19 47.27 1pwp s LEU 113 CO 0.00 -0.20 1.63 -0.07 0.23 0.00 0.00 176.35 177.95 1pwp h LEU 114 N 7.88 0.16 0.00 1.79 3.38 0.15 1.07 115.31 129.73 1pwp h LEU 114 Ca -0.27 0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1pwp h LEU 114 Cb 1.12 0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1pwp h LEU 114 CO 0.29 -0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.60 1pwp n HIS 115 N -5.20 0.00 -0.78 1.13 1.44 -1.26 -2.29 115.22 108.26 1pwp n HIS 115 Ca 0.27 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.98 1pwp n HIS 115 Cb 0.88 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.99 1pwp n HIS 115 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1pwp n GLU 116 N -0.54 0.23 -3.89 -1.40 1.02 0.36 -4.86 120.64 111.57 1pwp n GLU 116 Ca 0.01 -0.42 -0.23 0.00 -0.02 0.00 0.00 57.16 56.50 1pwp n GLU 116 Cb 0.01 -0.61 -0.05 0.00 -0.02 0.00 0.00 31.44 30.76 1pwp n GLU 116 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1pwp s HIS 117 N -0.11 2.57 -1.40 -0.32 2.46 -0.72 -4.88 115.29 112.90 1pwp s HIS 117 Ca 0.00 -0.57 0.17 0.00 0.47 0.00 0.00 55.06 55.13 1pwp s HIS 117 Cb 0.00 -2.04 -0.05 0.00 -0.13 0.00 0.00 32.58 30.36 1pwp s HIS 117 CO 0.00 0.01 0.86 2.48 -2.47 0.00 0.00 174.74 175.62 1pwp n TYR 118 N -1.40 0.00 -3.93 3.88 4.11 -1.26 -4.67 117.16 113.89 1pwp n TYR 118 Ca 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.82 1pwp n TYR 118 Cb 0.63 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.90 1pwp n TYR 118 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.86 177.00 1pwp s VAL 119 N -2.14 0.12 -0.29 -3.48 -7.23 -1.26 -0.25 120.40 105.87 1pwp s VAL 119 Ca 0.12 -1.35 -0.18 0.00 -1.81 0.00 0.00 61.98 58.77 1pwp s VAL 119 Cb 0.14 -1.57 0.18 0.00 0.56 0.00 0.00 36.38 35.69 1pwp s VAL 119 CO 0.49 -0.55 1.17 -0.47 -0.31 0.00 0.00 175.10 175.44 1pwp s TYR 120 N -3.91 -0.26 -0.27 2.82 5.04 -0.80 -4.98 117.35 114.99 1pwp s TYR 120 Ca 0.10 0.53 -0.04 0.00 -2.44 0.00 0.00 57.07 55.23 1pwp s TYR 120 Cb 0.05 0.21 0.02 0.00 0.35 0.00 0.00 41.96 42.59 1pwp s TYR 120 CO -0.06 -0.13 0.01 0.00 -1.34 0.00 0.00 175.55 174.02 1pwp s ALA 121 N 0.97 2.87 0.02 3.97 0.00 -1.26 -0.66 121.76 127.68 1pwp s ALA 121 Ca -0.06 -1.49 -0.26 0.00 0.00 0.00 0.00 51.96 50.16 1pwp s ALA 121 Cb -0.03 -1.92 -0.05 0.00 0.00 0.00 0.00 23.12 21.12 1pwp s ALA 121 CO -0.12 -0.91 0.80 0.21 0.00 0.00 0.00 175.76 175.74 1pwp s LYS 122 N 1.39 4.51 0.00 0.00 2.20 0.16 -4.94 119.74 123.07 1pwp s LYS 122 Ca 0.01 1.11 0.00 0.00 -0.36 0.00 0.00 55.97 56.72 1pwp s LYS 122 Cb -0.17 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 1pwp s LYS 122 CO -0.01 0.20 0.00 0.39 -0.36 0.00 0.00 175.35 175.57 1pwp n GLU 123 N 3.11 -0.07 0.00 4.03 1.02 -1.26 -2.62 120.64 124.86 1pwp n GLU 123 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1pwp n GLU 123 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 1pwp n GLU 123 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pwp n GLY 124 N 4.31 0.94 0.00 0.62 0.00 -1.26 -4.49 105.19 105.31 1pwp n GLY 124 Ca 0.00 -2.09 0.05 0.00 0.00 0.00 0.00 46.02 43.97 1pwp n GLY 124 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1pwp n TYR 125 N 0.62 0.00 -3.22 1.61 0.18 -1.26 -3.77 117.16 111.32 1pwp n TYR 125 Ca 0.00 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.55 1pwp n TYR 125 Cb 0.00 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 38.89 1pwp n TYR 125 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1pwp n GLU 126 N -0.64 0.51 -1.59 -3.48 1.02 -1.26 -4.94 120.64 110.26 1pwp n GLU 126 Ca 0.07 -3.06 -0.41 0.00 -0.02 0.00 0.00 57.16 53.74 1pwp n GLU 126 Cb 0.03 -1.41 0.01 0.00 -0.02 0.00 0.00 31.44 30.05 1pwp n GLU 126 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1pwp n PRO 127 N 2.03 1.20 -3.85 3.49 -0.02 -1.25 -4.93 135.00 131.68 1pwp n PRO 127 Ca 0.24 0.43 -0.12 0.00 -2.02 0.00 0.00 63.50 62.03 1pwp n PRO 127 Cb 0.52 -1.95 -0.13 0.00 -0.02 0.00 0.00 33.50 31.91 1pwp n PRO 127 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pwp s VAL 128 N -1.30 0.00 -0.12 -1.45 1.01 -1.08 -3.06 120.40 114.40 1pwp s VAL 128 Ca 0.64 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.60 1pwp s VAL 128 Cb -0.57 -0.11 0.02 0.00 0.00 0.00 0.00 36.38 35.72 1pwp s VAL 128 CO 0.57 -0.01 -0.14 -0.22 0.00 0.00 0.00 175.10 175.29 1pwp s LEU 129 N -0.00 1.65 -0.15 3.92 2.96 -0.01 0.40 118.68 127.44 1pwp s LEU 129 Ca -0.00 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.49 1pwp s LEU 129 Cb -0.01 -1.08 0.01 0.00 0.50 0.00 0.00 46.19 45.61 1pwp s LEU 129 CO 0.00 -0.02 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.12 1pwp s VAL 130 N 1.22 2.26 -0.05 1.68 1.01 0.17 -0.39 120.40 126.29 1pwp s VAL 130 Ca -0.02 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.10 1pwp s VAL 130 Cb -0.14 -1.92 -0.00 0.00 0.00 0.00 0.00 36.38 34.32 1pwp s VAL 130 CO -0.05 0.54 -0.17 -0.63 0.00 0.00 0.00 175.10 174.78 1pwp s ILE 131 N 0.89 1.48 0.97 2.22 1.01 -0.67 -1.90 121.20 125.20 1pwp s ILE 131 Ca -0.05 -0.73 -0.14 0.00 0.00 0.00 0.00 60.65 59.74 1pwp s ILE 131 Cb -0.15 -1.28 0.17 0.00 0.01 0.00 0.00 42.46 41.21 1pwp s ILE 131 CO -0.03 0.43 1.15 -1.58 0.00 0.00 0.00 174.94 174.91 1pwp s GLN 132 N 0.16 0.69 -0.05 2.79 0.74 0.65 -0.83 119.66 123.80 1pwp s GLN 132 Ca -0.07 0.19 -0.09 0.00 0.05 0.00 0.00 55.36 55.44 1pwp s GLN 132 Cb -0.13 -1.80 -0.05 0.00 1.10 0.00 0.00 33.01 32.14 1pwp s GLN 132 CO 0.03 -2.49 0.24 0.45 -0.55 0.00 0.00 175.29 172.98 1pwp s SER 133 N -4.04 6.52 0.00 6.67 0.15 -0.20 -4.65 113.70 118.14 1pwp s SER 133 Ca 0.66 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.92 1pwp s SER 133 Cb -0.13 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1pwp s SER 133 CO 0.54 0.34 0.00 -0.24 1.20 0.00 0.00 173.24 175.08 1pwp n SER 134 N 1.68 0.00 0.00 5.45 2.88 -1.26 -5.02 113.62 117.35 1pwp n SER 134 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1pwp n SER 134 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1pwp n SER 134 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1pwp n GLU 135 N -0.01 0.37 0.00 -1.46 0.00 -1.26 -4.70 120.64 113.58 1pwp n GLU 135 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 57.16 57.17 1pwp n GLU 135 Cb 0.00 -0.17 0.10 0.00 0.00 0.00 0.00 31.44 31.37 1pwp n GLU 135 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1pwp n ASP 136 N -0.06 0.00 0.05 -1.84 9.92 -1.26 -3.20 116.55 120.16 1pwp n ASP 136 Ca 0.00 -1.86 0.04 0.00 -0.53 0.00 0.00 54.79 52.44 1pwp n ASP 136 Cb 0.06 0.00 0.44 0.00 -0.64 0.00 0.00 41.12 40.98 1pwp n ASP 136 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 1pwp h TYR 137 N 0.00 0.42 0.00 1.24 0.99 -1.85 1.53 116.97 119.31 1pwp h TYR 137 Ca 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1pwp h TYR 137 Cb 0.00 -0.14 0.00 0.00 1.00 0.00 0.00 36.73 37.59 1pwp h TYR 137 CO 0.00 0.30 -0.00 0.28 -0.00 0.00 0.00 178.16 178.74 1pwp h VAL 138 N 0.44 1.20 0.28 -2.88 2.07 -1.96 -3.33 116.25 112.08 1pwp h VAL 138 Ca 0.12 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1pwp h VAL 138 Cb 0.02 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1pwp h VAL 138 CO -0.02 0.16 -0.13 -0.33 0.02 0.00 0.00 177.57 177.27 1pwp h GLU 139 N -0.27 -0.36 -5.28 1.57 4.39 -1.41 -3.38 114.58 109.84 1pwp h GLU 139 Ca -0.00 0.02 -0.68 0.00 0.34 0.00 0.00 59.36 59.04 1pwp h GLU 139 Cb 0.27 0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 28.93 1pwp h GLU 139 CO 0.00 -0.24 2.47 0.09 -1.16 0.00 0.00 179.01 180.17 1pwp n ASN 140 N -3.74 4.56 -0.09 1.42 3.02 0.51 -4.81 115.26 116.14 1pwp n ASN 140 Ca -0.05 -2.89 0.22 0.00 -0.03 0.00 0.00 54.58 51.84 1pwp n ASN 140 Cb 0.15 -1.72 0.68 0.00 -0.61 0.00 0.00 39.78 38.28 1pwp n ASN 140 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1pwp h THR 141 N 5.10 0.68 0.00 3.41 1.35 -1.75 -2.39 112.91 119.31 1pwp h THR 141 Ca 0.48 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 66.32 1pwp h THR 141 Cb 0.80 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1pwp h THR 141 CO 1.59 0.01 0.00 -0.08 -0.25 0.00 0.00 175.52 176.79 1pwp h GLU 142 N 0.06 0.00 0.12 4.72 4.81 -1.90 0.05 114.58 122.44 1pwp h GLU 142 Ca 0.33 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.22 1pwp h GLU 142 Cb 1.23 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1pwp h GLU 142 CO -0.02 0.00 -1.83 0.87 -0.73 0.00 0.00 179.01 177.30 1pwp h LYS 143 N 0.00 0.25 -0.90 1.92 1.57 -1.78 -3.09 116.57 114.54 1pwp h LYS 143 Ca 0.00 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1pwp h LYS 143 Cb 0.17 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 1pwp h LYS 143 CO 0.00 1.12 0.57 0.00 -0.57 0.00 0.00 179.45 180.57 1pwp h ALA 144 N 0.28 1.31 -0.07 3.86 0.00 -1.46 0.20 119.26 123.38 1pwp h ALA 144 Ca -0.36 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.50 1pwp h ALA 144 Cb 2.04 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 19.43 1pwp h ALA 144 CO 0.12 0.62 -0.14 1.25 0.00 0.00 0.00 179.25 181.10 1pwp h LEU 145 N 1.23 -0.42 -0.33 0.00 6.46 -1.10 -0.08 115.31 121.08 1pwp h LEU 145 Ca 0.33 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 58.16 1pwp h LEU 145 Cb -0.10 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 1pwp h LEU 145 CO -0.07 -0.19 0.20 0.78 -0.62 0.00 0.00 178.44 178.55 1pwp h ASN 146 N -0.20 0.39 -0.99 1.25 2.35 -1.17 -0.64 115.58 116.58 1pwp h ASN 146 Ca 0.07 -0.04 0.06 0.00 -0.55 0.00 0.00 56.30 55.84 1pwp h ASN 146 Cb 0.30 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.50 1pwp h ASN 146 CO -0.19 0.32 0.64 0.58 -1.65 0.00 0.00 177.43 177.13 1pwp h VAL 147 N 0.43 1.09 -0.13 2.81 2.07 -0.20 -0.99 116.25 121.34 1pwp h VAL 147 Ca 0.12 -0.40 -0.15 0.00 0.82 0.00 0.00 66.70 67.09 1pwp h VAL 147 Cb -0.00 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.59 1pwp h VAL 147 CO -0.02 0.21 -0.55 1.88 0.02 0.00 0.00 177.57 179.11 1pwp h TYR 148 N 1.16 0.48 -0.13 1.57 0.99 -0.62 -2.01 116.97 118.41 1pwp h TYR 148 Ca 0.42 -0.17 -0.03 0.00 2.00 0.00 0.00 58.73 60.95 1pwp h TYR 148 Cb 0.15 -0.09 -0.01 0.00 1.00 0.00 0.00 36.73 37.78 1pwp h TYR 148 CO -0.00 0.84 -0.06 -0.92 -0.00 0.00 0.00 178.16 178.03 1pwp h TYR 149 N 0.29 0.19 0.01 4.88 3.20 -0.21 0.83 116.97 126.16 1pwp h TYR 149 Ca 0.00 -0.01 -0.21 0.00 3.14 0.00 0.00 58.73 61.65 1pwp h TYR 149 Cb 1.05 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 1pwp h TYR 149 CO 0.03 0.25 -0.91 1.49 -1.64 0.00 0.00 178.16 177.38 1pwp h GLU 150 N 0.18 0.28 -0.14 1.82 4.57 -0.77 -2.06 114.58 118.46 1pwp h GLU 150 Ca 0.04 -0.31 -0.11 0.00 -1.18 0.00 0.00 59.36 57.80 1pwp h GLU 150 Cb 0.23 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1pwp h GLU 150 CO 0.01 1.02 -0.36 0.82 -1.18 0.00 0.00 179.01 179.32 1pwp h ILE 151 N 0.15 1.36 -1.00 2.32 2.04 -0.43 -1.49 117.51 120.46 1pwp h ILE 151 Ca -0.06 -1.64 0.14 0.00 1.00 0.00 0.00 64.86 64.30 1pwp h ILE 151 Cb 1.55 2.06 -0.09 0.00 -0.74 0.00 0.00 36.82 39.60 1pwp h ILE 151 CO 0.15 0.49 0.63 1.23 0.00 0.00 0.00 178.15 180.64 1pwp h GLY 152 N 0.09 1.66 1.00 5.37 0.00 0.63 0.42 103.07 112.25 1pwp h GLY 152 Ca -0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 1pwp h GLY 152 CO 0.08 0.10 0.29 1.70 0.00 0.00 0.00 176.54 178.71 1pwp h LYS 153 N 0.93 0.94 -0.73 4.80 3.64 -1.06 0.12 116.57 125.21 1pwp h LYS 153 Ca 0.52 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 59.76 1pwp h LYS 153 Cb 0.60 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 1pwp h LYS 153 CO -0.29 0.77 0.47 0.82 -2.27 0.00 0.00 179.45 178.96 1pwp h ILE 154 N 0.90 1.15 0.51 2.00 2.04 0.77 -0.10 117.51 124.78 1pwp h ILE 154 Ca 0.22 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1pwp h ILE 154 Cb 0.16 0.12 0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1pwp h ILE 154 CO -0.02 0.17 -0.25 0.25 0.00 0.00 0.00 178.15 178.30 1pwp h LEU 155 N 0.95 -0.59 -0.80 1.44 5.85 0.28 0.17 115.31 122.62 1pwp h LEU 155 Ca 0.28 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 1pwp h LEU 155 Cb -0.06 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1pwp h LEU 155 CO -0.08 -0.32 -0.39 0.77 -0.34 0.00 0.00 178.44 178.08 1pwp h SER 156 N -0.83 0.00 0.00 1.25 4.64 -0.76 0.24 113.55 118.09 1pwp h SER 156 Ca -0.07 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.98 1pwp h SER 156 Cb 0.59 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.63 1pwp h SER 156 CO 0.12 0.39 -2.01 -1.14 -0.87 0.00 0.00 176.83 173.32 1pwp n ARG 157 N -3.47 1.39 -0.09 4.77 0.63 -0.06 -3.93 116.66 115.89 1pwp n ARG 157 Ca 0.00 0.02 -0.11 0.00 -0.92 0.00 0.00 57.85 56.83 1pwp n ARG 157 Cb 0.54 -1.37 -0.15 0.00 0.45 0.00 0.00 32.46 31.93 1pwp n ARG 157 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1pwp n ASP 158 N -2.64 0.51 -0.03 6.15 10.43 0.54 -4.45 116.55 127.06 1pwp n ASP 158 Ca -0.26 0.05 -0.03 0.00 2.57 0.00 0.00 54.79 57.12 1pwp n ASP 158 Cb 0.95 0.56 -0.01 0.00 1.84 0.00 0.00 41.12 44.46 1pwp n ASP 158 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1pwp n ILE 159 N -2.90 0.56 0.26 0.53 5.41 -0.78 -4.57 119.36 117.87 1pwp n ILE 159 Ca -0.32 0.37 0.17 0.00 1.00 0.00 0.00 62.75 63.96 1pwp n ILE 159 Cb 1.11 -1.82 0.91 0.00 -0.71 0.00 0.00 39.64 39.14 1pwp n ILE 159 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1pwp h LEU 160 N -0.38 0.00 -1.36 1.39 3.38 -1.16 -1.53 115.31 115.65 1pwp h LEU 160 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1pwp h LEU 160 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1pwp h LEU 160 CO 0.00 0.00 -0.29 0.77 0.09 0.00 0.00 178.44 179.01 1pwp h SER 161 N 0.00 0.00 0.50 -0.43 4.64 -1.66 0.23 113.55 116.83 1pwp h SER 161 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1pwp h SER 161 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1pwp h SER 161 CO -0.00 0.29 0.00 0.29 -0.87 0.00 0.00 176.83 176.54 1pwp n LYS 162 N -3.77 0.21 -1.28 4.77 5.02 -0.58 -2.79 118.16 119.74 1pwp n LYS 162 Ca -0.01 0.10 0.04 0.00 -2.02 0.00 0.00 58.31 56.42 1pwp n LYS 162 Cb 0.38 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.97 1pwp n LYS 162 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1pwp n ILE 163 N -1.35 0.80 -3.67 -0.18 -5.35 -0.97 -5.01 119.36 103.62 1pwp n ILE 163 Ca 0.09 -1.85 -0.21 0.00 -0.27 0.00 0.00 62.75 60.50 1pwp n ILE 163 Cb 0.19 0.58 0.04 0.00 -1.74 0.00 0.00 39.64 38.72 1pwp n ILE 163 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1pwp n ASN 164 N -0.08 -1.62 -4.13 7.28 5.03 -1.12 -4.95 115.26 115.67 1pwp n ASN 164 Ca 0.11 -0.78 -0.10 0.00 0.87 0.00 0.00 54.58 54.69 1pwp n ASN 164 Cb 0.99 -4.24 -0.10 0.00 -1.02 0.00 0.00 39.78 35.41 1pwp n ASN 164 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1pwp s GLN 165 N -5.92 0.73 0.77 3.52 -0.21 0.79 -4.44 119.66 114.89 1pwp s GLN 165 Ca 0.05 -1.25 -0.11 0.00 0.02 0.00 0.00 55.36 54.07 1pwp s GLN 165 Cb -0.03 -0.07 0.05 0.00 1.00 0.00 0.00 33.01 33.97 1pwp s GLN 165 CO 0.80 -0.04 1.08 -1.25 -2.12 0.00 0.00 175.29 173.75 1pwp s PRO 166 N -3.69 2.34 0.00 2.91 0.04 -1.26 -3.09 135.00 132.24 1pwp s PRO 166 Ca 0.09 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1pwp s PRO 166 Cb 0.05 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1pwp s PRO 166 CO -0.06 -1.51 0.00 0.98 0.04 0.00 0.00 177.00 176.45 1pwp n TYR 167 N -3.39 0.00 -0.27 0.56 9.36 -1.26 -4.97 117.16 117.18 1pwp n TYR 167 Ca 0.08 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.38 1pwp n TYR 167 Cb 0.54 0.00 0.22 0.00 -0.63 0.00 0.00 39.34 39.48 1pwp n TYR 167 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 1pwp h GLN 168 N 0.00 0.22 -0.04 2.98 5.75 -1.95 0.09 115.11 122.17 1pwp h GLN 168 Ca 0.00 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.52 1pwp h GLN 168 Cb 0.00 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.46 1pwp h GLN 168 CO 0.00 0.14 -0.16 -0.22 -2.65 0.00 0.00 178.83 175.95 1pwp h LYS 169 N 0.23 -0.24 -0.47 1.69 3.64 -1.96 -0.67 116.57 118.79 1pwp h LYS 169 Ca 0.47 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.82 1pwp h LYS 169 Cb 0.88 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 1pwp h LYS 169 CO -0.59 -0.16 0.10 0.35 -2.27 0.00 0.00 179.45 176.88 1pwp h PHE 170 N -0.24 0.74 -0.36 1.91 3.57 -1.65 -1.92 116.94 118.98 1pwp h PHE 170 Ca 0.06 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1pwp h PHE 170 Cb 0.33 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1pwp h PHE 170 CO -0.23 0.64 0.24 -0.07 -2.23 0.00 0.00 178.31 176.66 1pwp h LEU 171 N 0.70 0.40 -1.12 0.59 3.38 -0.24 -0.82 115.31 118.20 1pwp h LEU 171 Ca 0.15 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1pwp h LEU 171 Cb 0.29 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1pwp h LEU 171 CO 0.00 0.28 -0.27 0.44 0.09 0.00 0.00 178.44 178.99 1pwp h ASP 172 N 0.47 0.29 -0.19 -0.43 3.32 -0.32 -0.88 116.42 118.66 1pwp h ASP 172 Ca 0.14 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 1pwp h ASP 172 Cb -0.02 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 1pwp h ASP 172 CO -0.03 0.56 -0.10 0.58 -1.72 0.00 0.00 179.24 178.53 1pwp h VAL 173 N 0.26 1.31 -0.73 -1.35 2.07 -1.06 -1.99 116.25 114.76 1pwp h VAL 173 Ca 0.04 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.44 1pwp h VAL 173 Cb 0.61 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 1pwp h VAL 173 CO 0.04 0.35 0.45 -0.07 0.02 0.00 0.00 177.57 178.37 1pwp h LEU 174 N 0.10 0.73 -1.16 2.57 3.38 -1.09 -1.91 115.31 117.93 1pwp h LEU 174 Ca 0.04 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1pwp h LEU 174 Cb 0.59 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1pwp h LEU 174 CO 0.03 0.50 -0.26 0.78 0.09 0.00 0.00 178.44 179.58 1pwp h ASN 175 N 0.87 0.00 -0.21 -0.43 2.35 -1.10 -2.34 115.58 114.72 1pwp h ASN 175 Ca 0.30 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.88 1pwp h ASN 175 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1pwp h ASN 175 CO -0.13 0.26 -0.55 0.74 -1.65 0.00 0.00 177.43 176.10 1pwp h THR 176 N 0.00 1.30 -0.15 2.81 2.02 -0.60 -2.84 112.91 115.45 1pwp h THR 176 Ca -0.00 -1.76 -0.02 0.00 0.77 0.00 0.00 66.41 65.39 1pwp h THR 176 Cb 0.74 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 1pwp h THR 176 CO 0.03 0.56 0.00 0.40 0.37 0.00 0.00 175.52 176.89 1pwp h ILE 177 N 0.47 1.25 -0.27 3.11 1.08 -1.23 -2.25 117.51 119.67 1pwp h ILE 177 Ca -0.01 -0.82 -0.13 0.00 -0.39 0.00 0.00 64.86 63.51 1pwp h ILE 177 Cb 1.17 1.49 -0.01 0.00 -3.07 0.00 0.00 36.82 36.40 1pwp h ILE 177 CO 0.12 0.24 -0.39 0.07 -0.69 0.00 0.00 178.15 177.51 1pwp h LYS 178 N 0.02 0.62 -0.61 2.37 2.10 -1.51 -3.13 116.57 116.43 1pwp h LYS 178 Ca 0.04 -0.31 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1pwp h LYS 178 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 1pwp h LYS 178 CO 0.01 0.90 0.00 0.09 -2.00 0.00 0.00 179.45 178.45 1pwp n ASN 179 N -4.04 3.56 -4.91 7.07 3.02 -1.07 -4.92 115.26 113.97 1pwp n ASN 179 Ca -0.02 -2.18 -0.28 0.00 -0.03 0.00 0.00 54.58 52.08 1pwp n ASN 179 Cb 0.51 -0.46 0.05 0.00 -0.61 0.00 0.00 39.78 39.28 1pwp n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pwp s ALA 180 N -1.50 3.05 0.01 5.41 0.00 -0.85 -5.02 121.76 122.86 1pwp s ALA 180 Ca 0.40 -0.63 -0.21 0.00 0.00 0.00 0.00 51.96 51.53 1pwp s ALA 180 Cb 0.24 -2.79 -0.12 0.00 0.00 0.00 0.00 23.12 20.45 1pwp s ALA 180 CO 0.23 -1.14 1.00 0.66 0.00 0.00 0.00 175.76 176.52 1pwp h SER 181 N -0.54 -0.65 -2.31 0.00 4.64 -1.89 -3.42 113.55 109.37 1pwp h SER 181 Ca -0.45 0.02 -0.57 0.00 -0.47 0.00 0.00 61.79 60.32 1pwp h SER 181 Cb 1.28 0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1pwp h SER 181 CO 0.62 -0.33 1.34 -0.62 -0.87 0.00 0.00 176.83 176.97 1pwp s ASP 182 N -4.13 5.89 0.00 4.97 -1.08 -1.26 -4.86 116.67 116.21 1pwp s ASP 182 Ca -0.11 1.92 0.14 0.00 -0.52 0.00 0.00 52.55 53.97 1pwp s ASP 182 Cb 0.01 -2.52 0.80 0.00 -1.46 0.00 0.00 42.92 39.75 1pwp s ASP 182 CO 0.34 -1.61 1.52 -1.54 0.52 0.00 0.00 175.17 174.40 1pwp n SER 183 N 10.04 0.04 -0.11 -0.34 3.41 -1.26 -3.81 113.62 121.59 1pwp n SER 183 Ca 0.25 -1.58 -0.08 0.00 -0.26 0.00 0.00 58.87 57.19 1pwp n SER 183 Cb 0.44 -0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.46 1pwp n SER 183 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1pwp h ASP 184 N 0.05 0.85 -0.89 4.04 3.45 -1.89 -1.81 116.42 120.23 1pwp h ASP 184 Ca 0.00 -0.30 0.08 0.00 0.43 0.00 0.00 57.03 57.23 1pwp h ASP 184 Cb 0.01 -0.23 -0.07 0.00 -0.56 0.00 0.00 39.33 38.48 1pwp h ASP 184 CO 0.00 1.03 0.54 1.23 -1.57 0.00 0.00 179.24 180.48 1pwp h GLY 185 N 0.95 1.37 0.61 2.75 0.00 -1.51 -1.87 103.07 105.37 1pwp h GLY 185 Ca 0.10 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1pwp h GLY 185 CO 0.06 0.22 -0.04 1.46 0.00 0.00 0.00 176.54 178.24 1pwp h GLN 186 N 0.95 0.13 0.00 4.80 4.20 -1.75 -2.81 115.11 120.63 1pwp h GLN 186 Ca 0.40 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1pwp h GLN 186 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1pwp h GLN 186 CO -0.21 0.55 0.04 -0.25 -0.67 0.00 0.00 178.83 178.29 1pwp n ASP 187 N -4.77 0.31 -0.01 1.46 10.43 -0.70 -0.30 116.55 122.98 1pwp n ASP 187 Ca -0.07 0.63 0.08 0.00 2.57 0.00 0.00 54.79 57.99 1pwp n ASP 187 Cb 0.27 -0.66 -0.12 0.00 1.84 0.00 0.00 41.12 42.46 1pwp n ASP 187 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 1pwp n LEU 188 N -1.92 0.18 0.00 0.64 7.94 -0.74 -4.80 117.00 118.30 1pwp n LEU 188 Ca -0.01 -0.12 0.00 0.00 -1.11 0.00 0.00 56.01 54.77 1pwp n LEU 188 Cb 0.05 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.00 1pwp n LEU 188 CO 0.05 0.04 -0.20 0.18 -1.11 0.00 0.00 177.39 176.36 1pwp n LEU 189 N -1.89 0.00 -4.86 -1.96 4.77 -0.70 -5.04 117.00 107.33 1pwp n LEU 189 Ca -0.02 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.60 1pwp n LEU 189 Cb 0.37 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 1pwp n LEU 189 CO 0.33 0.00 0.01 -0.36 -1.33 0.00 0.00 177.39 176.04 1pwp s PHE 190 N -0.93 3.63 0.35 -1.77 2.99 0.59 -4.69 117.98 118.15 1pwp s PHE 190 Ca 0.00 0.76 -0.11 0.00 0.00 0.00 0.00 56.93 57.58 1pwp s PHE 190 Cb 0.00 -2.12 -0.07 0.00 0.00 0.00 0.00 43.02 40.83 1pwp s PHE 190 CO 0.00 0.63 0.70 0.95 -0.00 0.00 0.00 175.22 177.50 1pwp s THR 191 N -1.20 4.81 0.47 0.64 -4.23 -1.26 -4.76 115.64 110.11 1pwp s THR 191 Ca 0.25 0.60 0.28 0.00 -1.18 0.00 0.00 61.69 61.64 1pwp s THR 191 Cb -0.14 -3.69 0.48 0.00 1.34 0.00 0.00 72.50 70.49 1pwp s THR 191 CO 0.13 -0.35 1.78 0.78 -0.54 0.00 0.00 174.62 176.42 1pwp h ASN 192 N 1.72 0.21 -0.67 3.99 4.21 -1.98 0.31 115.58 123.38 1pwp h ASN 192 Ca -0.47 0.05 0.12 0.00 1.21 0.00 0.00 56.30 57.21 1pwp h ASN 192 Cb 1.18 0.01 -0.09 0.00 -1.12 0.00 0.00 38.32 38.31 1pwp h ASN 192 CO 0.65 0.02 0.21 -0.61 -1.29 0.00 0.00 177.43 176.42 1pwp h GLN 193 N 0.18 0.34 0.14 0.81 5.75 -1.99 0.13 115.11 120.47 1pwp h GLN 193 Ca 0.60 -0.02 -0.30 0.00 -0.15 0.00 0.00 58.65 58.78 1pwp h GLN 193 Cb 1.96 -0.08 0.03 0.00 1.07 0.00 0.00 27.48 30.46 1pwp h GLN 193 CO -0.16 0.23 -1.24 -0.07 -2.65 0.00 0.00 178.83 174.93 1pwp h LEU 194 N 0.35 0.86 -0.57 -2.39 3.38 -1.34 -3.18 115.31 112.41 1pwp h LEU 194 Ca 0.36 -0.84 0.11 0.00 0.09 0.00 0.00 57.88 57.60 1pwp h LEU 194 Cb 0.52 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.92 1pwp h LEU 194 CO -0.39 1.61 0.09 0.11 0.09 0.00 0.00 178.44 179.95 1pwp h LYS 195 N 0.22 0.21 0.00 1.13 1.57 -0.46 -1.65 116.57 117.59 1pwp h LYS 195 Ca -0.19 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1pwp h LYS 195 Cb 1.92 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.19 1pwp h LYS 195 CO 0.24 0.14 0.00 0.39 -0.57 0.00 0.00 179.45 179.65 1pwp n GLU 196 N -5.16 0.22 -1.89 3.15 1.02 0.35 -4.84 120.64 113.49 1pwp n GLU 196 Ca 0.08 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.80 1pwp n GLU 196 Cb 0.31 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.20 1pwp n GLU 196 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1pwp s HIS 197 N -2.78 2.99 0.00 -0.32 2.46 -0.62 -4.96 115.29 112.06 1pwp s HIS 197 Ca 0.22 0.68 0.00 0.00 0.47 0.00 0.00 55.06 56.42 1pwp s HIS 197 Cb 0.20 -3.96 0.00 0.00 -0.13 0.00 0.00 32.58 28.69 1pwp s HIS 197 CO 0.49 -3.44 0.26 -0.35 -2.47 0.00 0.00 174.74 169.23 1pwp n PRO 198 N 3.41 0.00 -0.64 2.88 -0.04 -1.26 -4.92 135.00 134.44 1pwp n PRO 198 Ca 0.12 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.28 1pwp n PRO 198 Cb 0.38 -0.74 0.27 0.00 -0.04 0.00 0.00 33.50 33.37 1pwp n PRO 198 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1pwp s THR 199 N -0.53 1.35 1.06 0.52 -1.32 -1.26 -5.02 115.64 110.44 1pwp s THR 199 Ca 0.00 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.35 1pwp s THR 199 Cb 0.00 -2.23 0.22 0.00 -1.51 0.00 0.00 72.50 68.98 1pwp s THR 199 CO 0.00 0.00 1.08 -1.81 -2.21 0.00 0.00 174.62 171.68 1pwp s ASP 200 N -3.43 2.11 -0.48 8.08 1.11 -1.26 -4.97 116.67 117.83 1pwp s ASP 200 Ca 0.70 1.15 -0.23 0.00 0.18 0.00 0.00 52.55 54.35 1pwp s ASP 200 Cb -0.12 -1.80 0.03 0.00 1.07 0.00 0.00 42.92 42.11 1pwp s ASP 200 CO 0.57 -3.45 0.79 -0.36 1.18 0.00 0.00 175.17 173.90 1pwp s PHE 201 N -2.89 2.96 0.53 4.23 0.40 -1.26 -5.02 117.98 116.93 1pwp s PHE 201 Ca 0.66 0.01 -0.01 0.00 -0.60 0.00 0.00 56.93 57.00 1pwp s PHE 201 Cb -0.19 -3.71 0.02 0.00 0.51 0.00 0.00 43.02 39.65 1pwp s PHE 201 CO 0.59 -1.06 0.77 -1.54 0.70 0.00 0.00 175.22 174.67 1pwp s SER 202 N 2.35 5.48 0.30 1.36 1.04 -1.26 -4.90 113.70 118.07 1pwp s SER 202 Ca 0.27 0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.98 1pwp s SER 202 Cb -0.13 -1.25 0.67 0.00 0.10 0.00 0.00 66.02 65.41 1pwp s SER 202 CO 0.20 -1.01 1.82 0.58 0.98 0.00 0.00 173.24 175.81 1pwp h VAL 203 N 0.10 0.83 -0.62 5.02 2.07 -1.99 -0.19 116.25 121.48 1pwp h VAL 203 Ca -0.44 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1pwp h VAL 203 Cb 1.28 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1pwp h VAL 203 CO 0.56 0.16 0.39 -0.33 0.02 0.00 0.00 177.57 178.36 1pwp h GLU 204 N 0.86 0.83 -0.26 1.57 3.07 -2.00 -2.14 114.58 116.51 1pwp h GLU 204 Ca 0.52 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.30 1pwp h GLU 204 Cb 0.68 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 1pwp h GLU 204 CO -0.29 0.58 0.11 0.35 -1.40 0.00 0.00 179.01 178.36 1pwp h PHE 205 N 0.84 0.39 -0.20 4.33 3.04 -1.46 -2.36 116.94 121.52 1pwp h PHE 205 Ca 0.22 -0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.21 1pwp h PHE 205 Cb -0.05 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.33 1pwp h PHE 205 CO -0.02 0.38 0.25 1.25 -2.02 0.00 0.00 178.31 178.15 1pwp h LEU 206 N 0.28 0.00 0.12 0.59 6.46 -0.65 0.15 115.31 122.27 1pwp h LEU 206 Ca 0.09 0.00 -0.30 0.00 -0.12 0.00 0.00 57.88 57.55 1pwp h LEU 206 Cb 0.15 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.08 1pwp h LEU 206 CO -0.01 0.00 -1.49 -0.33 -0.62 0.00 0.00 178.44 175.99 1pwp h GLU 207 N 0.00 0.26 0.00 1.25 5.08 -0.88 -3.03 114.58 117.25 1pwp h GLU 207 Ca 0.09 -0.44 -0.05 0.00 -1.00 0.00 0.00 59.36 57.97 1pwp h GLU 207 Cb 0.59 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1pwp h GLU 207 CO -0.00 1.13 -0.57 1.96 -1.00 0.00 0.00 179.01 180.53 1pwp h GLN 208 N 0.07 0.00 -1.18 2.33 4.20 -1.00 -3.34 115.11 116.19 1pwp h GLN 208 Ca -0.23 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 57.92 1pwp h GLN 208 Cb 2.01 0.00 -0.42 0.00 0.30 0.00 0.00 27.48 29.37 1pwp h GLN 208 CO 0.17 0.15 -0.79 0.09 -0.67 0.00 0.00 178.83 177.78 1pwp n ASN 209 N -2.99 4.64 -0.21 1.46 3.02 -0.05 -4.85 115.26 116.29 1pwp n ASN 209 Ca 0.01 -3.67 -0.02 0.00 -0.03 0.00 0.00 54.58 50.87 1pwp n ASN 209 Cb 0.62 -0.41 0.09 0.00 -0.61 0.00 0.00 39.78 39.47 1pwp n ASN 209 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1pwp h SER 210 N 2.43 0.43 -0.74 6.41 4.64 -1.66 -2.02 113.55 123.04 1pwp h SER 210 Ca 0.31 0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.68 1pwp h SER 210 Cb 1.18 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 63.20 1pwp h SER 210 CO 0.79 0.27 0.48 -0.55 -0.87 0.00 0.00 176.83 176.96 1pwp h ASN 211 N 0.57 0.83 0.55 4.97 -1.07 -1.89 -1.91 115.58 117.63 1pwp h ASN 211 Ca 0.28 -0.02 -0.03 0.00 0.07 0.00 0.00 56.30 56.61 1pwp h ASN 211 Cb 0.23 -0.20 0.01 0.00 -2.07 0.00 0.00 38.32 36.28 1pwp h ASN 211 CO -0.21 0.59 -0.26 -0.33 0.07 0.00 0.00 177.43 177.29 1pwp h GLU 212 N 0.98 -0.71 -0.30 4.14 4.39 -1.77 -2.09 114.58 119.21 1pwp h GLU 212 Ca 0.28 0.05 0.04 0.00 0.34 0.00 0.00 59.36 60.07 1pwp h GLU 212 Cb -0.07 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 1pwp h GLU 212 CO -0.08 -0.46 0.04 0.28 -1.16 0.00 0.00 179.01 177.64 1pwp h VAL 213 N -0.77 0.84 -0.99 3.13 2.07 -1.36 -0.86 116.25 118.31 1pwp h VAL 213 Ca -0.08 -0.05 0.21 0.00 0.82 0.00 0.00 66.70 67.61 1pwp h VAL 213 Cb 0.58 0.68 -0.09 0.00 -1.52 0.00 0.00 31.29 30.94 1pwp h VAL 213 CO 0.12 0.03 0.62 1.56 0.02 0.00 0.00 177.57 179.92 1pwp h GLN 214 N 0.15 0.56 -0.13 1.57 4.20 -1.27 0.12 115.11 120.31 1pwp h GLN 214 Ca 0.14 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1pwp h GLN 214 Cb 0.16 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1pwp h GLN 214 CO -0.20 0.37 0.04 1.49 -0.67 0.00 0.00 178.83 179.86 1pwp h GLU 215 N 0.58 0.20 -0.19 1.46 4.57 -0.45 -1.00 114.58 119.74 1pwp h GLU 215 Ca 0.56 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.70 1pwp h GLU 215 Cb 1.13 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 1pwp h GLU 215 CO -0.31 0.35 0.10 0.28 -1.18 0.00 0.00 179.01 178.24 1pwp h VAL 216 N 0.02 1.01 -0.11 0.32 2.07 -0.35 -0.78 116.25 118.43 1pwp h VAL 216 Ca 0.04 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1pwp h VAL 216 Cb 0.23 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1pwp h VAL 216 CO -0.00 0.04 -0.51 0.15 0.02 0.00 0.00 177.57 177.27 1pwp h PHE 217 N 0.21 -1.51 -0.43 1.57 3.57 -0.68 -1.55 116.94 118.12 1pwp h PHE 217 Ca 0.07 0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.72 1pwp h PHE 217 Cb 0.00 0.67 -0.09 0.00 2.79 0.00 0.00 35.95 39.33 1pwp h PHE 217 CO -0.08 -0.51 -0.21 0.00 -2.23 0.00 0.00 178.31 175.27 1pwp h ALA 218 N -0.40 0.10 -0.53 2.41 0.00 -0.84 0.40 119.26 120.39 1pwp h ALA 218 Ca 0.03 0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1pwp h ALA 218 Cb 0.64 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1pwp h ALA 218 CO -0.40 -0.57 0.14 0.87 0.00 0.00 0.00 179.25 179.29 1pwp h LYS 219 N -0.13 0.28 -0.50 0.00 1.57 -0.69 0.27 116.57 117.37 1pwp h LYS 219 Ca 0.21 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1pwp h LYS 219 Cb 0.45 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1pwp h LYS 219 CO -0.51 0.19 0.06 0.00 -0.57 0.00 0.00 179.45 178.62 1pwp h ALA 220 N 1.40 1.17 -0.60 3.86 0.00 -0.27 -0.15 119.26 124.67 1pwp h ALA 220 Ca 0.27 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1pwp h ALA 220 Cb 0.35 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1pwp h ALA 220 CO -0.32 0.55 0.21 0.35 0.00 0.00 0.00 179.25 180.04 1pwp h PHE 221 N 0.75 0.94 0.86 0.00 3.57 0.53 -1.93 116.94 121.66 1pwp h PHE 221 Ca 0.16 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1pwp h PHE 221 Cb 0.37 -0.28 0.01 0.00 2.79 0.00 0.00 35.95 38.84 1pwp h PHE 221 CO 0.02 0.77 -0.44 0.00 -2.23 0.00 0.00 178.31 176.42 1pwp h ALA 222 N 1.07 -1.31 -0.93 2.41 0.00 0.20 -0.16 119.26 120.55 1pwp h ALA 222 Ca 0.20 -0.26 0.15 0.00 0.00 0.00 0.00 54.91 55.00 1pwp h ALA 222 Cb 0.25 0.51 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 1pwp h ALA 222 CO -0.01 -1.23 0.53 1.88 0.00 0.00 0.00 179.25 180.42 1pwp h TYR 223 N -1.19 0.95 -0.56 0.00 -1.99 -1.05 -1.13 116.97 111.99 1pwp h TYR 223 Ca -0.12 0.03 -0.10 0.00 2.00 0.00 0.00 58.73 60.55 1pwp h TYR 223 Cb 0.93 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 39.35 1pwp h TYR 223 CO -0.01 0.27 -0.03 -0.92 -0.00 0.00 0.00 178.16 177.48 1pwp h TYR 224 N 0.76 1.08 -0.09 4.88 3.20 -1.16 -2.14 116.97 123.51 1pwp h TYR 224 Ca 0.50 -0.19 -0.24 0.00 3.14 0.00 0.00 58.73 61.94 1pwp h TYR 224 Cb 0.66 -0.28 0.02 0.00 1.54 0.00 0.00 36.73 38.66 1pwp h TYR 224 CO -0.04 0.97 -0.90 0.82 -1.64 0.00 0.00 178.16 177.37 1pwp h ILE 225 N 0.90 1.28 -2.76 1.81 1.08 -0.16 -3.42 117.51 116.24 1pwp h ILE 225 Ca 0.16 -2.09 -0.54 0.00 -0.39 0.00 0.00 64.86 61.99 1pwp h ILE 225 Cb 0.56 2.15 -0.06 0.00 -3.07 0.00 0.00 36.82 36.41 1pwp h ILE 225 CO 0.03 0.66 1.12 -0.70 -0.69 0.00 0.00 178.15 178.57 1pwp s GLU 226 N -3.56 3.26 0.58 2.37 -6.30 -0.51 -4.88 118.70 109.65 1pwp s GLU 226 Ca -0.10 0.48 0.37 0.00 -2.50 0.00 0.00 54.97 53.21 1pwp s GLU 226 Cb 0.08 -4.14 1.25 0.00 0.00 0.00 0.00 34.13 31.32 1pwp s GLU 226 CO 0.91 -1.99 1.39 -0.35 0.02 0.00 0.00 175.26 175.25 1pwp n PRO 227 N 8.70 0.01 0.01 4.30 -0.04 -1.26 -0.93 135.00 145.78 1pwp n PRO 227 Ca 0.13 1.03 -0.08 0.00 -0.04 0.00 0.00 63.50 64.54 1pwp n PRO 227 Cb 0.49 -2.48 -0.13 0.00 -0.04 0.00 0.00 33.50 31.33 1pwp n PRO 227 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1pwp h GLN 228 N 0.00 0.01 -0.01 0.54 1.08 -1.89 -3.35 115.11 111.49 1pwp h GLN 228 Ca 0.68 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.87 1pwp h GLN 228 Cb 3.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 30.70 1pwp h GLN 228 CO -0.01 0.67 -0.39 0.72 -0.95 0.00 0.00 178.83 178.88 1pwp n HIS 229 N -3.16 0.00 -0.35 2.96 8.25 -0.11 -4.16 115.22 118.66 1pwp n HIS 229 Ca -0.11 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.37 1pwp n HIS 229 Cb 1.01 -0.14 0.16 0.00 1.12 0.00 0.00 29.99 32.15 1pwp n HIS 229 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1pwp h ARG 230 N 0.91 1.07 -0.76 -0.41 2.43 -1.07 -1.59 114.38 114.98 1pwp h ARG 230 Ca 0.00 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1pwp h ARG 230 Cb 0.53 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1pwp h ARG 230 CO 0.00 0.71 0.37 -0.44 -1.51 0.00 0.00 179.97 179.09 1pwp h ASP 231 N 1.10 0.99 -0.28 -3.80 3.32 -1.81 -0.66 116.42 115.27 1pwp h ASP 231 Ca 0.41 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1pwp h ASP 231 Cb 0.17 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1pwp h ASP 231 CO -0.17 0.84 0.18 0.58 -1.72 0.00 0.00 179.24 178.95 1pwp h VAL 232 N 1.06 1.06 0.20 -1.35 2.07 -1.56 0.24 116.25 117.97 1pwp h VAL 232 Ca 0.26 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.66 1pwp h VAL 232 Cb 0.11 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1pwp h VAL 232 CO -0.03 0.07 -0.38 0.25 0.02 0.00 0.00 177.57 177.50 1pwp h LEU 233 N 0.38 -1.07 -2.47 2.57 6.46 -0.83 -0.01 115.31 120.33 1pwp h LEU 233 Ca 0.11 0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1pwp h LEU 233 Cb -0.04 0.39 -0.00 0.00 -0.73 0.00 0.00 40.66 40.29 1pwp h LEU 233 CO -0.03 -0.48 -0.02 -0.61 -0.62 0.00 0.00 178.44 176.69 1pwp h GLN 234 N -0.66 0.00 0.22 1.25 4.15 -0.86 0.30 115.11 119.51 1pwp h GLN 234 Ca 0.01 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.09 1pwp h GLN 234 Cb 0.65 0.00 0.03 0.00 0.21 0.00 0.00 27.48 28.37 1pwp h GLN 234 CO -0.17 0.02 -1.57 1.25 -1.93 0.00 0.00 178.83 176.42 1pwp h LEU 235 N 0.00 0.73 0.00 -2.39 5.85 0.11 -3.37 115.31 116.24 1pwp h LEU 235 Ca -0.00 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 57.79 1pwp h LEU 235 Cb 0.16 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1pwp h LEU 235 CO 0.00 1.73 -0.80 -1.22 -0.34 0.00 0.00 178.44 177.82 1pwp n TYR 236 N -3.69 0.00 -3.19 1.25 4.01 -0.19 -4.78 117.16 110.58 1pwp n TYR 236 Ca -0.20 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.31 1pwp n TYR 236 Cb 1.08 -0.07 -0.06 0.00 -0.31 0.00 0.00 39.34 39.97 1pwp n TYR 236 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pwp n ALA 237 N -1.44 1.93 -0.37 -0.72 0.00 0.08 -2.07 120.51 117.93 1pwp n ALA 237 Ca 0.01 -2.96 0.00 0.00 0.00 0.00 0.00 53.44 50.49 1pwp n ALA 237 Cb 0.21 -0.88 0.14 0.00 0.00 0.00 0.00 19.45 18.92 1pwp n ALA 237 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1pwp h PRO 238 N 4.59 1.21 -0.31 0.00 0.11 -1.73 -1.48 132.00 134.39 1pwp h PRO 238 Ca 0.11 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 66.07 1pwp h PRO 238 Cb 0.92 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 1pwp h PRO 238 CO 0.39 0.80 -0.15 0.93 -0.21 0.00 0.00 178.00 179.76 1pwp h GLU 239 N 1.24 0.54 -0.17 1.05 4.39 -1.94 0.51 114.58 120.21 1pwp h GLU 239 Ca 0.40 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.84 1pwp h GLU 239 Cb 0.01 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1pwp h GLU 239 CO -0.13 0.67 -0.23 0.00 -1.16 0.00 0.00 179.01 178.16 1pwp h ALA 240 N 1.35 0.26 -0.34 3.43 0.00 -1.84 -0.45 119.26 121.67 1pwp h ALA 240 Ca 0.09 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.65 1pwp h ALA 240 Cb 0.54 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1pwp h ALA 240 CO 0.03 0.22 0.14 0.35 0.00 0.00 0.00 179.25 180.00 1pwp h PHE 241 N 0.09 0.26 -0.21 0.00 3.04 -0.97 -0.25 116.94 118.90 1pwp h PHE 241 Ca 0.02 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1pwp h PHE 241 Cb 0.80 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.23 1pwp h PHE 241 CO 0.09 0.13 0.14 -0.91 -2.02 0.00 0.00 178.31 175.73 1pwp h ASN 242 N 0.31 0.23 0.50 0.41 -0.26 -0.81 0.27 115.58 116.23 1pwp h ASN 242 Ca 0.15 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.87 1pwp h ASN 242 Cb 0.09 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 1pwp h ASN 242 CO -0.13 0.17 -0.43 0.22 -1.06 0.00 0.00 177.43 176.21 1pwp h TYR 243 N 0.28 -1.17 0.00 1.19 5.03 -0.69 -1.08 116.97 120.54 1pwp h TYR 243 Ca 0.08 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.39 1pwp h TYR 243 Cb -0.03 0.44 -0.00 0.00 1.55 0.00 0.00 36.73 38.69 1pwp h TYR 243 CO -0.07 -0.60 -0.02 0.52 -1.32 0.00 0.00 178.16 176.67 1pwp h MET 244 N -0.92 0.00 0.24 1.82 2.86 -0.91 -0.38 114.93 117.65 1pwp h MET 244 Ca -0.05 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1pwp h MET 244 Cb 0.79 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.46 1pwp h MET 244 CO -0.02 0.02 -0.11 0.22 1.06 0.00 0.00 176.91 178.07 1pwp h ASP 245 N 0.00 -0.27 0.35 1.22 -0.00 0.16 -2.74 116.42 115.14 1pwp h ASP 245 Ca -0.00 -0.25 -0.08 0.00 -0.00 0.00 0.00 57.03 56.69 1pwp h ASP 245 Cb 0.05 0.07 -0.01 0.00 -0.00 0.00 0.00 39.33 39.44 1pwp h ASP 245 CO 0.00 0.18 -0.38 0.50 -0.00 0.00 0.00 179.24 179.54 1pwp h LYS 246 N -0.80 0.04 -0.28 0.28 3.64 -0.74 -2.96 116.57 115.75 1pwp h LYS 246 Ca -0.03 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 1pwp h LYS 246 Cb 0.51 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1pwp h LYS 246 CO 0.05 0.42 -0.20 0.35 -2.27 0.00 0.00 179.45 177.80 1pwp h PHE 247 N 0.04 0.74 0.00 1.91 3.57 -1.12 -1.62 116.94 120.46 1pwp h PHE 247 Ca 0.00 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.30 1pwp h PHE 247 Cb 0.68 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1pwp h PHE 247 CO 0.00 0.90 0.00 -0.91 -2.23 0.00 0.00 178.31 176.08 1pwp h ASN 248 N 0.36 0.00 0.09 0.41 2.35 -1.48 0.78 115.58 118.09 1pwp h ASN 248 Ca 0.05 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.44 1pwp h ASN 248 Cb 0.75 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.05 1pwp h ASN 248 CO 0.05 0.00 -2.27 -0.62 -1.65 0.00 0.00 177.43 172.94 1pwp n GLU 249 N -2.84 0.68 0.00 0.81 -0.58 -1.12 -4.83 120.64 112.75 1pwp n GLU 249 Ca 0.04 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 1pwp n GLU 249 Cb 0.49 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 1pwp n GLU 249 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1pwp n GLN 250 N -3.01 0.00 -0.28 3.49 6.02 -0.61 -4.89 117.38 118.10 1pwp n GLN 250 Ca -0.34 0.00 0.21 0.00 -0.01 0.00 0.00 57.00 56.86 1pwp n GLN 250 Cb 1.09 0.00 0.32 0.00 1.02 0.00 0.00 30.24 32.66 1pwp n GLN 250 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1pwp n GLU 251 N 0.00 0.00 -0.20 -1.09 1.02 -1.18 -2.37 120.64 116.83 1pwp n GLU 251 Ca 0.00 0.42 0.01 0.00 -0.02 0.00 0.00 57.16 57.57 1pwp n GLU 251 Cb 0.00 -0.97 0.26 0.00 -0.02 0.00 0.00 31.44 30.71 1pwp n GLU 251 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1pwp h ILE 252 N 0.00 1.19 0.00 -3.67 2.10 -1.11 -1.02 117.51 114.99 1pwp h ILE 252 Ca 0.36 -0.34 -0.01 0.00 1.08 0.00 0.00 64.86 65.96 1pwp h ILE 252 Cb 1.47 0.13 -0.00 0.00 -1.09 0.00 0.00 36.82 37.32 1pwp h ILE 252 CO -0.00 0.18 -0.04 -0.55 -1.08 0.00 0.00 178.15 176.66 1pwp h ASN 253 N 0.97 0.00 0.98 2.19 -1.07 -1.76 0.13 115.58 117.03 1pwp h ASN 253 Ca 0.26 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.50 1pwp h ASN 253 Cb -0.11 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.12 1pwp h ASN 253 CO -0.06 0.04 -0.61 -0.07 0.07 0.00 0.00 177.43 176.80 1pwp h LEU 254 N 0.00 0.00 -0.18 6.14 3.38 -1.40 -1.57 115.31 121.67 1pwp h LEU 254 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1pwp h LEU 254 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1pwp h LEU 254 CO 0.00 0.61 -0.18 0.28 0.09 0.00 0.00 178.44 179.24 1pwp h SER 255 N 0.00 0.47 -0.67 -0.43 0.02 -0.47 -0.79 113.55 111.67 1pwp h SER 255 Ca -0.01 -0.48 0.03 0.00 -0.84 0.00 0.00 61.79 60.49 1pwp h SER 255 Cb 1.27 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.63 1pwp h SER 255 CO 0.08 0.86 0.42 0.25 -1.14 0.00 0.00 176.83 177.30 1pwp h LEU 256 N 0.10 0.69 0.03 5.07 6.46 -1.23 0.21 115.31 126.63 1pwp h LEU 256 Ca 0.03 -0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.81 1pwp h LEU 256 Cb 0.73 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.47 1pwp h LEU 256 CO 0.05 0.49 -0.21 -0.08 -0.62 0.00 0.00 178.44 178.06 1pwp h GLU 257 N 0.83 -0.34 -0.54 1.25 4.57 -1.04 0.19 114.58 119.50 1pwp h GLU 257 Ca 0.27 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.44 1pwp h GLU 257 Cb 0.00 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 1pwp h GLU 257 CO -0.10 -0.23 0.23 1.49 -1.18 0.00 0.00 179.01 179.23 1pwp h GLU 258 N -0.35 0.77 -0.48 1.92 4.81 -0.62 -2.03 114.58 118.59 1pwp h GLU 258 Ca 0.05 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 1pwp h GLU 258 Cb 0.42 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1pwp h GLU 258 CO -0.18 0.62 -0.00 1.25 -0.73 0.00 0.00 179.01 179.96 1pwp h LEU 259 N 0.76 0.84 -1.26 1.64 7.12 0.31 -2.78 115.31 121.94 1pwp h LEU 259 Ca 0.19 -0.31 -0.07 0.00 0.13 0.00 0.00 57.88 57.82 1pwp h LEU 259 Cb 0.12 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 40.02 1pwp h LEU 259 CO -0.02 0.95 -0.32 0.11 -0.13 0.00 0.00 178.44 179.03 1pwp h LYS 260 N 0.71 0.00 0.00 1.25 1.57 -0.30 -2.90 116.57 116.90 1pwp h LYS 260 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1pwp h LYS 260 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1pwp h LYS 260 CO 0.03 0.32 0.00 -3.47 -0.57 0.00 0.00 179.45 175.75 1pwp n ASP 261 N -3.72 0.55 0.00 0.86 4.64 -0.80 -1.92 116.55 116.17 1pwp n ASP 261 Ca -0.01 0.68 0.11 0.00 -1.38 0.00 0.00 54.79 54.18 1pwp n ASP 261 Cb 0.42 -0.78 0.03 0.00 -1.04 0.00 0.00 41.12 39.75 1pwp n ASP 261 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1pwp n GLN 262 N -2.15 0.01 -2.82 -0.67 6.02 -1.09 -4.83 117.38 111.85 1pwp n GLN 262 Ca 0.01 -0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.57 1pwp n GLN 262 Cb 0.15 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.87 1pwp n GLN 262 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1pwp s ARG 263 N -3.01 3.72 0.21 -1.09 1.81 -0.81 -4.95 118.95 114.84 1pwp s ARG 263 Ca 0.09 0.41 -0.17 0.00 -1.72 0.00 0.00 55.73 54.33 1pwp s ARG 263 Cb 0.17 -3.85 0.21 0.00 -0.45 0.00 0.00 34.95 31.03 1pwp s ARG 263 CO 0.80 -1.05 1.58 1.98 -0.68 0.00 0.00 175.30 177.93 1pwp h MET 264 N 8.71 -0.07 -0.09 3.54 1.85 -1.89 0.11 114.93 127.10 1pwp h MET 264 Ca -0.24 0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 58.79 1pwp h MET 264 Cb 1.08 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 33.11 1pwp h MET 264 CO 1.00 -0.05 -0.27 -0.07 -0.40 0.00 0.00 176.91 177.12 1pwp h LEU 265 N -0.08 0.15 0.01 3.39 3.38 -1.94 -1.05 115.31 119.18 1pwp h LEU 265 Ca 0.31 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1pwp h LEU 265 Cb 0.58 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1pwp h LEU 265 CO -0.81 0.42 -0.01 0.28 0.09 0.00 0.00 178.44 178.42 1pwp h SER 266 N 0.14 -0.02 -0.41 -0.43 0.02 -1.31 -0.64 113.55 110.91 1pwp h SER 266 Ca 0.02 -0.29 0.08 0.00 -0.84 0.00 0.00 61.79 60.76 1pwp h SER 266 Cb 0.55 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.03 1pwp h SER 266 CO 0.04 0.29 -0.04 0.03 -1.14 0.00 0.00 176.83 176.01 1pwp h ARG 267 N -0.32 0.06 -0.51 3.45 3.08 -0.82 -0.74 114.38 118.58 1pwp h ARG 267 Ca -0.00 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1pwp h ARG 267 Cb 0.31 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1pwp h ARG 267 CO 0.00 0.04 0.05 -0.92 -1.07 0.00 0.00 179.97 178.08 1pwp h TYR 268 N 0.07 0.87 -0.50 3.04 3.20 -1.13 -2.71 116.97 119.80 1pwp h TYR 268 Ca 0.20 -0.11 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 1pwp h TYR 268 Cb 0.30 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 1pwp h TYR 268 CO -0.30 0.77 0.15 1.49 -1.64 0.00 0.00 178.16 178.63 1pwp h GLU 269 N 0.78 0.79 -0.28 1.82 4.81 0.04 -2.21 114.58 120.33 1pwp h GLU 269 Ca 0.16 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1pwp h GLU 269 Cb 0.39 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1pwp h GLU 269 CO 0.01 0.74 0.10 -0.22 -0.73 0.00 0.00 179.01 178.91 1pwp h LYS 270 N 0.68 0.42 -0.79 1.92 3.64 -1.08 -2.63 116.57 118.73 1pwp h LYS 270 Ca 0.16 -0.08 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1pwp h LYS 270 Cb 0.29 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 1pwp h LYS 270 CO -0.00 0.47 0.50 2.35 -2.27 0.00 0.00 179.45 180.49 1pwp h TRP 271 N 0.29 0.93 -0.54 1.91 2.91 -1.41 -2.70 115.95 117.35 1pwp h TRP 271 Ca 0.09 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 60.03 1pwp h TRP 271 Cb 0.21 -0.31 -0.02 0.00 -0.51 0.00 0.00 29.16 28.53 1pwp h TRP 271 CO -0.00 0.52 -0.08 0.93 -1.03 0.00 0.00 178.44 178.78 1pwp h GLU 272 N 0.96 0.98 -0.35 2.65 4.39 -1.27 0.67 114.58 122.62 1pwp h GLU 272 Ca 0.32 -0.34 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 1pwp h GLU 272 Cb 0.05 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1pwp h GLU 272 CO -0.13 1.01 -0.11 0.87 -1.16 0.00 0.00 179.01 179.49 1pwp h LYS 273 N 0.88 0.60 -0.07 2.33 1.57 -1.23 -0.38 116.57 120.27 1pwp h LYS 273 Ca 0.15 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 1pwp h LYS 273 Cb 0.62 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.88 1pwp h LYS 273 CO 0.04 0.71 -0.39 0.82 -0.57 0.00 0.00 179.45 180.05 1pwp h ILE 274 N 0.55 1.41 -0.77 1.86 2.04 -1.24 -0.95 117.51 120.42 1pwp h ILE 274 Ca 0.10 -1.78 0.10 0.00 1.00 0.00 0.00 64.86 64.28 1pwp h ILE 274 Cb 0.52 2.31 -0.05 0.00 -0.74 0.00 0.00 36.82 38.86 1pwp h ILE 274 CO 0.03 0.52 0.50 0.50 0.00 0.00 0.00 178.15 179.70 1pwp h LYS 275 N -0.07 0.65 -0.02 2.37 3.64 -0.67 -1.05 116.57 121.41 1pwp h LYS 275 Ca -0.03 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1pwp h LYS 275 Cb 1.05 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1pwp h LYS 275 CO 0.08 0.43 -0.02 1.96 -2.27 0.00 0.00 179.45 179.63 1pwp h GLN 276 N 0.67 0.04 -0.24 1.90 4.20 -0.96 -1.08 115.11 119.64 1pwp h GLN 276 Ca 0.35 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 59.11 1pwp h GLN 276 Cb 0.48 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1pwp h GLN 276 CO -0.13 0.52 0.22 1.25 -0.67 0.00 0.00 178.83 180.01 1pwp h HIS 277 N -0.43 0.00 -0.37 2.96 2.76 0.04 -0.05 115.15 120.05 1pwp h HIS 277 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1pwp h HIS 277 Cb 0.51 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.47 1pwp h HIS 277 CO 0.09 0.00 0.00 0.66 -1.30 0.00 0.00 177.93 177.38 1pwp n TYR 278 N -4.02 0.49 -0.24 5.26 4.02 -0.59 -4.66 117.16 117.42 1pwp n TYR 278 Ca 0.03 -0.40 0.04 0.00 -0.01 0.00 0.00 57.90 57.56 1pwp n TYR 278 Cb 0.36 -0.02 0.16 0.00 -0.02 0.00 0.00 39.34 39.83 1pwp n TYR 278 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1pwp h GLN 279 N 2.73 0.36 0.13 -0.72 5.75 0.36 -0.09 115.11 123.64 1pwp h GLN 279 Ca 0.00 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1pwp h GLN 279 Cb 0.77 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.24 1pwp h GLN 279 CO 0.00 0.24 -0.06 1.25 -2.65 0.00 0.00 178.83 177.61 1pwp h HIS 280 N 0.37 -0.17 -0.92 3.99 2.76 -1.83 -1.63 115.15 117.73 1pwp h HIS 280 Ca 0.39 -0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.71 1pwp h HIS 280 Cb 0.59 0.06 -0.10 0.00 1.55 0.00 0.00 27.41 29.51 1pwp h HIS 280 CO -0.20 0.06 0.51 2.35 -1.30 0.00 0.00 177.93 179.36 1pwp h TRP 281 N -0.38 0.90 0.64 5.26 7.01 -1.74 -2.04 115.95 125.61 1pwp h TRP 281 Ca -0.02 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 60.98 1pwp h TRP 281 Cb 0.31 -0.26 0.01 0.00 -2.10 0.00 0.00 29.16 27.11 1pwp h TRP 281 CO -0.01 0.22 -0.31 0.77 -2.79 0.00 0.00 178.44 176.32 1pwp h SER 282 N 0.70 -0.73 -0.35 2.65 0.02 -0.86 -2.74 113.55 112.24 1pwp h SER 282 Ca 0.51 0.02 0.10 0.00 -0.84 0.00 0.00 61.79 61.58 1pwp h SER 282 Cb 0.73 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 1pwp h SER 282 CO -0.37 -0.34 0.58 0.44 -1.14 0.00 0.00 176.83 176.00 1pwp h ASP 283 N -1.23 0.00 1.15 3.07 3.32 -1.03 0.15 116.42 121.85 1pwp h ASP 283 Ca -0.09 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.87 1pwp h ASP 283 Cb 0.67 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1pwp h ASP 283 CO 0.14 0.00 -0.89 0.77 -1.72 0.00 0.00 179.24 177.54 1pwp h SER 284 N 0.00 0.00 -3.02 6.45 4.64 -1.28 -3.47 113.55 116.87 1pwp h SER 284 Ca 0.17 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.91 1pwp h SER 284 Cb 1.32 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 63.58 1pwp h SER 284 CO -0.00 0.34 -0.38 0.18 -0.87 0.00 0.00 176.83 176.10 1pwp n LEU 285 N -2.95 0.86 -4.72 5.97 4.77 0.52 -5.00 117.00 116.45 1pwp n LEU 285 Ca -0.02 0.71 -0.24 0.00 -0.03 0.00 0.00 56.01 56.43 1pwp n LEU 285 Cb 0.70 -1.19 -0.07 0.00 -2.33 0.00 0.00 43.42 40.54 1pwp n LEU 285 CO 0.40 -3.04 -0.19 -0.94 -1.33 0.00 0.00 177.39 172.29 1pwp s SER 286 N -1.22 4.51 0.42 -1.43 1.04 -1.26 -4.97 113.70 110.79 1pwp s SER 286 Ca 0.68 -0.92 0.14 0.00 0.48 0.00 0.00 55.95 56.33 1pwp s SER 286 Cb -0.43 -0.60 1.01 0.00 0.10 0.00 0.00 66.02 66.11 1pwp s SER 286 CO 0.55 -0.39 1.93 -0.33 0.98 0.00 0.00 173.24 175.98 1pwp h GLU 287 N 1.53 0.44 -0.51 4.02 4.39 -1.99 0.01 114.58 122.47 1pwp h GLU 287 Ca -0.43 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.13 1pwp h GLU 287 Cb 1.25 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 1pwp h GLU 287 CO 0.66 0.29 -0.10 1.49 -1.16 0.00 0.00 179.01 180.19 1pwp h GLU 288 N 0.45 0.98 -0.22 2.33 4.81 -1.98 0.02 114.58 120.96 1pwp h GLU 288 Ca 0.36 -0.36 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1pwp h GLU 288 Cb 0.75 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1pwp h GLU 288 CO -0.12 1.04 -0.12 0.78 -0.73 0.00 0.00 179.01 179.86 1pwp h GLY 289 N 0.84 0.52 1.93 1.92 0.00 -1.45 -2.32 103.07 104.49 1pwp h GLY 289 Ca 0.13 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 1pwp h GLY 289 CO 0.05 0.43 -0.21 3.21 0.00 0.00 0.00 176.54 180.02 1pwp h ARG 290 N 0.18 0.09 -0.50 4.80 3.08 -1.02 -1.94 114.38 119.07 1pwp h ARG 290 Ca 0.05 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 1pwp h ARG 290 Cb 0.62 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1pwp h ARG 290 CO 0.04 0.30 -0.03 0.78 -1.07 0.00 0.00 179.97 179.98 1pwp h GLY 291 N 0.74 0.94 0.72 0.04 0.00 -0.77 -2.00 103.07 102.75 1pwp h GLY 291 Ca 0.02 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 1pwp h GLY 291 CO 0.03 0.62 -0.02 1.41 0.00 0.00 0.00 176.54 178.58 1pwp h LEU 292 N 0.80 0.18 -1.05 3.11 3.38 -0.82 -1.51 115.31 119.40 1pwp h LEU 292 Ca 0.15 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1pwp h LEU 292 Cb 0.52 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1pwp h LEU 292 CO 0.03 0.49 0.45 -0.07 0.09 0.00 0.00 178.44 179.42 1pwp h LEU 293 N -0.14 0.99 -0.31 1.67 3.38 -1.30 -1.22 115.31 118.38 1pwp h LEU 293 Ca 0.02 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1pwp h LEU 293 Cb 0.41 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1pwp h LEU 293 CO 0.01 0.79 -0.21 0.50 0.09 0.00 0.00 178.44 179.62 1pwp h LYS 294 N 1.12 0.69 -0.03 1.13 1.63 -1.34 -2.65 116.57 117.12 1pwp h LYS 294 Ca 0.29 -0.33 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 1pwp h LYS 294 Cb 0.01 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1pwp h LYS 294 CO -0.05 0.94 -0.07 -0.22 -3.45 0.00 0.00 179.45 176.59 1pwp h LYS 295 N 0.45 0.05 0.00 1.90 3.64 -0.91 0.08 116.57 121.77 1pwp h LYS 295 Ca 0.06 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1pwp h LYS 295 Cb 0.76 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1pwp h LYS 295 CO 0.06 0.12 0.00 -0.11 -2.27 0.00 0.00 179.45 177.25 1pwp n LEU 296 N -4.42 0.00 -0.08 5.20 -0.00 -0.49 -3.41 117.00 113.80 1pwp n LEU 296 Ca -0.02 0.33 -0.08 0.00 -0.00 0.00 0.00 56.01 56.24 1pwp n LEU 296 Cb 0.17 -0.33 -0.12 0.00 -0.00 0.00 0.00 43.42 43.13 1pwp n LEU 296 CO 0.35 -0.06 -1.00 0.00 -0.00 0.00 0.00 177.39 176.68 1pwp n GLN 297 N -1.33 1.47 -3.67 1.96 6.02 -0.02 -4.80 117.38 117.01 1pwp n GLN 297 Ca 0.10 -0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.81 1pwp n GLN 297 Cb 0.22 -1.39 -0.16 0.00 1.02 0.00 0.00 30.24 29.93 1pwp n GLN 297 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1pwp s ILE 298 N -2.37 0.39 0.77 5.09 -4.36 -0.96 -5.13 121.20 114.62 1pwp s ILE 298 Ca -0.08 -0.74 -0.15 0.00 -0.26 0.00 0.00 60.65 59.42 1pwp s ILE 298 Cb 0.05 -1.10 0.00 0.00 1.25 0.00 0.00 42.46 42.66 1pwp s ILE 298 CO 0.62 -0.44 0.74 -2.65 0.24 0.00 0.00 174.94 173.45 1pwp n PRO 299 N 5.08 0.26 -3.50 0.37 -0.02 -1.26 -4.70 135.00 131.23 1pwp n PRO 299 Ca -0.06 0.14 -0.40 0.00 -2.02 0.00 0.00 63.50 61.16 1pwp n PRO 299 Cb 0.45 -2.04 -0.10 0.00 -0.02 0.00 0.00 33.50 31.79 1pwp n PRO 299 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1pwp s ILE 300 N -1.99 5.25 0.61 4.25 1.01 -0.86 -4.90 121.20 124.57 1pwp s ILE 300 Ca 0.68 0.00 -0.15 0.00 0.00 0.00 0.00 60.65 61.18 1pwp s ILE 300 Cb -0.32 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1pwp s ILE 300 CO 0.56 0.04 1.05 -1.61 0.00 0.00 0.00 174.94 174.97 1pwp s GLU 301 N 1.84 3.31 0.02 2.79 0.41 -1.26 -0.57 118.70 125.24 1pwp s GLU 301 Ca 0.09 1.10 -0.30 0.00 -0.41 0.00 0.00 54.97 55.45 1pwp s GLU 301 Cb -0.17 -2.04 -0.08 0.00 -1.78 0.00 0.00 34.13 30.07 1pwp s GLU 301 CO 0.11 -0.81 1.88 -2.14 -0.49 0.00 0.00 175.26 173.81 1pwp s PRO 302 N -4.33 4.15 -0.85 0.39 0.02 -1.26 -4.91 135.00 128.22 1pwp s PRO 302 Ca 0.61 2.50 -0.23 0.00 0.02 0.00 0.00 61.00 63.91 1pwp s PRO 302 Cb -0.15 -4.09 0.06 0.00 0.02 0.00 0.00 34.50 30.35 1pwp s PRO 302 CO 0.41 -0.92 1.24 0.21 -0.33 0.00 0.00 177.00 177.61 1pwp s LYS 303 N 4.25 3.38 0.02 5.54 2.20 -1.26 -4.89 119.74 128.98 1pwp s LYS 303 Ca 0.84 -0.94 -0.04 0.00 -0.36 0.00 0.00 55.97 55.46 1pwp s LYS 303 Cb -0.40 -4.72 -0.01 0.00 -1.51 0.00 0.00 37.83 31.19 1pwp s LYS 303 CO 0.38 -2.03 0.25 0.36 -0.36 0.00 0.00 175.35 173.95 1pwp n LYS 304 N 8.32 -0.06 0.00 4.03 0.00 -1.26 -0.95 118.16 128.24 1pwp n LYS 304 Ca 0.15 0.24 0.00 0.00 -0.00 0.00 0.00 58.31 58.71 1pwp n LYS 304 Cb 0.49 -0.36 0.00 0.00 -0.00 0.00 0.00 35.03 35.16 1pwp n LYS 304 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1pwp n ASP 305 N -3.86 0.00 -0.34 -5.58 9.92 -1.26 -0.76 116.55 114.67 1pwp n ASP 305 Ca 0.00 0.77 0.32 0.00 -0.53 0.00 0.00 54.79 55.35 1pwp n ASP 305 Cb 0.04 -0.31 0.58 0.00 -0.64 0.00 0.00 41.12 40.79 1pwp n ASP 305 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1pwp h ASP 306 N 0.00 0.33 0.09 -2.24 5.19 -1.46 0.30 116.42 118.63 1pwp h ASP 306 Ca 0.00 0.24 0.02 0.00 -0.62 0.00 0.00 57.03 56.67 1pwp h ASP 306 Cb 0.00 0.24 -0.05 0.00 0.18 0.00 0.00 39.33 39.71 1pwp h ASP 306 CO 0.00 -0.39 -0.40 0.40 -3.12 0.00 0.00 179.24 175.74 1pwp h ILE 307 N 0.04 0.19 -0.61 0.35 1.08 -0.89 -2.48 117.51 115.19 1pwp h ILE 307 Ca 0.84 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 65.43 1pwp h ILE 307 Cb 2.23 0.19 -0.11 0.00 -3.07 0.00 0.00 36.82 36.05 1pwp h ILE 307 CO -0.72 0.00 -0.08 0.40 -0.69 0.00 0.00 178.15 177.06 1pwp h ILE 308 N -0.61 0.44 0.00 -0.67 1.08 -0.19 -2.80 117.51 114.75 1pwp h ILE 308 Ca 0.03 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.48 1pwp h ILE 308 Cb 0.66 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.79 1pwp h ILE 308 CO -0.25 0.01 0.00 1.57 -0.69 0.00 0.00 178.15 178.79 1pwp n HIS 309 N -5.35 0.00 0.00 1.37 -0.00 -0.96 -2.39 115.22 107.89 1pwp n HIS 309 Ca 0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.26 1pwp n HIS 309 Cb 0.34 -0.30 0.00 0.00 -0.12 0.00 0.00 29.99 29.90 1pwp n HIS 309 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1pwp n SER 310 N -1.54 0.00 0.00 0.26 7.64 -1.04 -4.21 113.62 114.73 1pwp n SER 310 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1pwp n SER 310 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1pwp n SER 310 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1pwp n LEU 311 N -0.39 0.00 0.00 -3.43 7.94 -1.00 -5.08 117.00 115.03 1pwp n LEU 311 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1pwp n LEU 311 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1pwp n LEU 311 CO 0.00 0.00 0.00 -0.24 -1.11 0.00 0.00 177.39 176.04 1pwp n SER 312 N 0.00 0.00 -0.15 1.96 2.88 -1.26 -4.96 113.62 112.10 1pwp n SER 312 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1pwp n SER 312 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 1pwp n SER 312 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1pwp h GLN 313 N 0.00 0.10 -0.12 -1.46 7.50 -1.95 0.64 115.11 119.82 1pwp h GLN 313 Ca 0.00 -0.01 -0.06 0.00 0.50 0.00 0.00 58.65 59.08 1pwp h GLN 313 Cb 0.00 -0.02 -0.00 0.00 0.05 0.00 0.00 27.48 27.51 1pwp h GLN 313 CO 0.00 0.07 -0.17 0.93 -1.50 0.00 0.00 178.83 178.16 1pwp h GLU 314 N 0.11 0.33 -0.63 1.46 5.08 -2.00 -3.15 114.58 115.77 1pwp h GLU 314 Ca 0.23 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1pwp h GLU 314 Cb 0.34 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1pwp h GLU 314 CO -0.39 0.77 0.41 0.93 -1.00 0.00 0.00 179.01 179.72 1pwp h GLU 315 N -0.08 0.80 -0.76 2.33 5.08 -1.80 -1.84 114.58 118.31 1pwp h GLU 315 Ca 0.01 -0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.46 1pwp h GLU 315 Cb 0.73 -0.18 -0.09 0.00 0.50 0.00 0.00 28.75 29.71 1pwp h GLU 315 CO 0.04 0.53 0.32 0.87 -1.00 0.00 0.00 179.01 179.77 1pwp h LYS 316 N 0.82 0.46 -0.72 2.33 1.57 0.24 0.16 116.57 121.43 1pwp h LYS 316 Ca 0.24 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 1pwp h LYS 316 Cb -0.05 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.10 1pwp h LYS 316 CO -0.07 0.31 0.45 0.93 -0.57 0.00 0.00 179.45 180.49 1pwp h GLU 317 N 0.48 0.83 -0.19 3.15 4.39 -1.30 0.36 114.58 122.30 1pwp h GLU 317 Ca 0.41 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 60.02 1pwp h GLU 317 Cb 0.60 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1pwp h GLU 317 CO -0.38 0.55 -0.02 -0.07 -1.16 0.00 0.00 179.01 177.93 1pwp h LEU 318 N 0.86 0.35 -1.80 1.33 3.38 -0.64 -2.54 115.31 116.25 1pwp h LEU 318 Ca 0.30 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1pwp h LEU 318 Cb 0.06 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1pwp h LEU 318 CO -0.13 0.61 0.14 0.25 0.09 0.00 0.00 178.44 179.40 1pwp h LEU 319 N 0.10 0.23 -0.89 1.67 5.85 -0.28 -2.15 115.31 119.84 1pwp h LEU 319 Ca 0.05 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1pwp h LEU 319 Cb 0.44 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1pwp h LEU 319 CO 0.01 0.17 0.46 0.11 -0.34 0.00 0.00 178.44 178.85 1pwp h LYS 320 N 0.27 0.00 -0.63 1.25 1.57 0.17 -3.32 116.57 115.89 1pwp h LYS 320 Ca 0.08 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.96 1pwp h LYS 320 Cb -0.02 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.09 1pwp h LYS 320 CO -0.02 0.00 -0.22 0.50 -0.57 0.00 0.00 179.45 179.14 1pwp s ARG 321 N -3.51 0.39 -0.13 3.15 6.06 -0.81 -5.03 118.95 119.07 1pwp s ARG 321 Ca -0.01 0.22 -0.04 0.00 -2.50 0.00 0.00 55.73 53.40 1pwp s ARG 321 Cb 0.04 0.13 0.07 0.00 0.06 0.00 0.00 34.95 35.25 1pwp s ARG 321 CO 0.12 -0.68 0.22 0.42 -2.50 0.00 0.00 175.30 172.88 1pwp s ILE 322 N 2.66 -0.34 -1.21 4.11 1.01 -1.25 -4.96 121.20 121.21 1pwp s ILE 322 Ca 0.18 0.21 -0.22 0.00 0.00 0.00 0.00 60.65 60.83 1pwp s ILE 322 Cb -0.05 -0.45 -0.06 0.00 0.01 0.00 0.00 42.46 41.92 1pwp s ILE 322 CO -0.21 0.05 1.89 1.67 0.00 0.00 0.00 174.94 178.34 1pwp n GLN 323 N 5.33 1.94 -0.17 2.79 7.27 -1.26 -4.74 117.38 128.55 1pwp n GLN 323 Ca -0.05 -2.64 0.14 0.00 0.07 0.00 0.00 57.00 54.51 1pwp n GLN 323 Cb 0.50 -3.68 0.26 0.00 2.41 0.00 0.00 30.24 29.73 1pwp n GLN 323 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1pwp n ILE 324 N 7.50 -0.22 0.27 1.69 2.08 -1.26 0.27 119.36 129.69 1pwp n ILE 324 Ca 0.46 1.08 0.11 0.00 0.56 0.00 0.00 62.75 64.95 1pwp n ILE 324 Cb 0.46 -1.70 0.73 0.00 -0.75 0.00 0.00 39.64 38.38 1pwp n ILE 324 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1pwp h ASP 325 N 0.00 0.00 -0.95 4.38 5.19 -1.94 -2.65 116.42 120.45 1pwp h ASP 325 Ca 0.41 0.00 0.12 0.00 -0.62 0.00 0.00 57.03 56.93 1pwp h ASP 325 Cb 1.02 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.46 1pwp h ASP 325 CO -0.42 0.05 0.61 0.77 -3.12 0.00 0.00 179.24 177.12 1pwp h SER 326 N 0.00 0.84 -3.78 6.45 4.64 0.35 -3.43 113.55 118.63 1pwp h SER 326 Ca -0.00 0.04 -0.43 0.00 -0.47 0.00 0.00 61.79 60.92 1pwp h SER 326 Cb 0.10 -0.13 0.17 0.00 -0.31 0.00 0.00 62.40 62.23 1pwp h SER 326 CO 0.01 0.46 0.22 -0.94 -0.87 0.00 0.00 176.83 175.71 1pwp s SER 327 N -5.78 2.01 -0.45 4.97 1.04 -1.00 -4.98 113.70 109.50 1pwp s SER 327 Ca -0.11 0.71 0.06 0.00 0.48 0.00 0.00 55.95 57.09 1pwp s SER 327 Cb 0.22 -1.04 0.22 0.00 0.10 0.00 0.00 66.02 65.51 1pwp s SER 327 CO 0.80 -3.46 0.65 -0.67 0.98 0.00 0.00 173.24 171.54 1pwp n ASP 328 N -4.33 -1.62 0.00 7.02 -0.08 -1.26 -4.82 116.55 111.47 1pwp n ASP 328 Ca 0.11 -2.88 0.00 0.00 -1.51 0.00 0.00 54.79 50.51 1pwp n ASP 328 Cb 0.59 0.63 0.00 0.00 2.34 0.00 0.00 41.12 44.68 1pwp n ASP 328 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1pwp n PHE 329 N 2.02 0.00 -3.85 -0.67 1.16 -1.26 -5.08 117.46 109.78 1pwp n PHE 329 Ca 0.18 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.41 1pwp n PHE 329 Cb 0.56 0.05 -0.13 0.00 -1.61 0.00 0.00 39.48 38.35 1pwp n PHE 329 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1pwp s LEU 330 N 0.00 4.75 0.99 5.98 1.43 -1.26 -5.09 118.68 125.48 1pwp s LEU 330 Ca 0.00 -1.81 -0.13 0.00 -1.03 0.00 0.00 54.13 51.17 1pwp s LEU 330 Cb 0.00 -1.76 0.10 0.00 0.03 0.00 0.00 46.19 44.56 1pwp s LEU 330 CO 0.00 -0.43 0.61 -1.54 0.23 0.00 0.00 176.35 175.22 1pwp n SER 331 N 4.55 -1.44 -0.33 2.29 3.41 -1.26 -4.31 113.62 116.53 1pwp n SER 331 Ca -0.05 0.24 0.14 0.00 -0.26 0.00 0.00 58.87 58.94 1pwp n SER 331 Cb 0.42 -1.25 0.36 0.00 -0.26 0.00 0.00 64.21 63.48 1pwp n SER 331 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1pwp h THR 332 N -1.84 0.71 -0.30 6.66 2.02 -1.99 0.27 112.91 118.44 1pwp h THR 332 Ca -0.47 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.44 1pwp h THR 332 Cb 1.29 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1pwp h THR 332 CO 0.38 0.13 0.06 -0.08 0.37 0.00 0.00 175.52 176.38 1pwp h GLU 333 N 0.69 0.49 -0.01 6.66 4.57 -2.01 -2.80 114.58 122.18 1pwp h GLU 333 Ca 0.55 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.61 1pwp h GLU 333 Cb 0.96 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.48 1pwp h GLU 333 CO -0.33 0.58 -0.00 0.93 -1.18 0.00 0.00 179.01 179.01 1pwp h GLU 334 N 0.32 0.01 -0.65 1.92 5.08 -1.23 -3.03 114.58 117.01 1pwp h GLU 334 Ca 0.09 -0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.57 1pwp h GLU 334 Cb 0.32 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.49 1pwp h GLU 334 CO 0.00 0.33 0.19 0.87 -1.00 0.00 0.00 179.01 179.41 1pwp h LYS 335 N -0.31 0.32 -0.19 2.33 1.57 -0.61 -1.28 116.57 118.41 1pwp h LYS 335 Ca 0.00 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1pwp h LYS 335 Cb 0.33 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1pwp h LYS 335 CO 0.00 0.21 -0.02 1.49 -0.57 0.00 0.00 179.45 180.56 1pwp h GLU 336 N 0.33 0.03 -0.29 3.15 4.57 -1.51 0.15 114.58 121.01 1pwp h GLU 336 Ca 0.34 -0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.58 1pwp h GLU 336 Cb 0.50 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.03 1pwp h GLU 336 CO -0.39 0.02 -0.08 0.35 -1.18 0.00 0.00 179.01 177.73 1pwp h PHE 337 N 0.03 -0.18 -0.45 0.92 3.57 -1.14 -1.60 116.94 118.09 1pwp h PHE 337 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1pwp h PHE 337 Cb 0.12 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1pwp h PHE 337 CO -0.19 -0.14 0.29 -0.07 -2.23 0.00 0.00 178.31 175.98 1pwp h LEU 338 N -0.01 0.53 -0.58 0.59 3.38 -0.88 -2.59 115.31 115.74 1pwp h LEU 338 Ca 0.14 -0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.20 1pwp h LEU 338 Cb 0.23 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 40.73 1pwp h LEU 338 CO -0.31 0.40 -0.15 0.11 0.09 0.00 0.00 178.44 178.58 1pwp h LYS 339 N 0.61 -0.01 0.00 1.13 1.57 0.19 0.52 116.57 120.58 1pwp h LYS 339 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1pwp h LYS 339 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1pwp h LYS 339 CO -0.03 -0.01 0.00 1.63 -0.57 0.00 0.00 179.45 180.47 1pwp n LYS 340 N -5.41 0.01 0.05 3.15 5.02 -0.71 -2.39 118.16 117.88 1pwp n LYS 340 Ca 0.06 0.29 -0.20 0.00 -2.02 0.00 0.00 58.31 56.45 1pwp n LYS 340 Cb 0.31 -1.53 -0.13 0.00 -0.02 0.00 0.00 35.03 33.67 1pwp n LYS 340 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1pwp h LEU 341 N 0.00 0.69 -0.02 -0.35 3.38 0.41 -3.11 115.31 116.31 1pwp h LEU 341 Ca 0.00 -0.83 -0.07 0.00 0.09 0.00 0.00 57.88 57.07 1pwp h LEU 341 Cb 0.22 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1pwp h LEU 341 CO 0.00 1.44 -0.26 0.06 0.09 0.00 0.00 178.44 179.77 1pwp h GLN 342 N 0.03 0.21 0.00 1.13 3.07 -1.28 -3.17 115.11 115.10 1pwp h GLN 342 Ca -0.14 -0.20 0.00 0.00 0.09 0.00 0.00 58.65 58.40 1pwp h GLN 342 Cb 1.66 0.05 0.00 0.00 0.08 0.00 0.00 27.48 29.27 1pwp h GLN 342 CO 0.18 0.90 0.00 -0.89 0.09 0.00 0.00 178.83 179.11 1pwp n ILE 343 N -4.50 1.60 -0.01 1.86 2.08 -1.01 -0.84 119.36 118.54 1pwp n ILE 343 Ca -0.09 0.40 0.06 0.00 0.56 0.00 0.00 62.75 63.68 1pwp n ILE 343 Cb 0.49 -1.40 0.15 0.00 -0.75 0.00 0.00 39.64 38.12 1pwp n ILE 343 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1pwp n ASP 344 N -1.40 2.82 0.00 4.38 -0.08 -1.18 -4.40 116.55 116.69 1pwp n ASP 344 Ca 0.00 -1.88 0.00 0.00 -1.51 0.00 0.00 54.79 51.40 1pwp n ASP 344 Cb 0.00 -0.20 0.00 0.00 2.34 0.00 0.00 41.12 43.26 1pwp n ASP 344 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pwp n ILE 345 N 0.69 0.01 1.02 5.18 0.13 -0.02 -4.68 119.36 121.69 1pwp n ILE 345 Ca 0.12 -0.40 0.13 0.00 -1.10 0.00 0.00 62.75 61.51 1pwp n ILE 345 Cb 0.42 1.21 0.46 0.00 -0.84 0.00 0.00 39.64 40.89 1pwp n ILE 345 CO 0.00 0.00 0.00 -2.11 2.80 0.00 0.00 176.55 177.24 1pwp n ARG 346 N -0.00 0.04 -0.14 9.51 0.00 -1.16 -4.47 116.66 120.44 1pwp n ARG 346 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1pwp n ARG 346 Cb 0.06 -1.50 0.00 0.00 -0.00 0.00 0.00 32.46 31.02 1pwp n ARG 346 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1pwp n ASP 347 N -1.47 1.87 -3.64 2.89 3.85 -1.26 -4.75 116.55 114.03 1pwp n ASP 347 Ca 0.07 -1.32 -0.09 0.00 -0.71 0.00 0.00 54.79 52.74 1pwp n ASP 347 Cb 0.33 -0.38 -0.07 0.00 -1.35 0.00 0.00 41.12 39.66 1pwp n ASP 347 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1pwp s SER 348 N 1.66 -0.60 0.00 -1.12 0.15 -1.26 -5.22 113.70 107.31 1pwp s SER 348 Ca 0.00 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.73 1pwp s SER 348 Cb 0.00 1.15 0.00 0.00 -1.71 0.00 0.00 66.02 65.46 1pwp s SER 348 CO 0.00 -0.18 0.00 0.18 1.20 0.00 0.00 173.24 174.44 1pwp n LEU 349 N 2.91 0.00 -0.01 3.45 4.77 -1.26 -5.18 117.00 121.68 1pwp n LEU 349 Ca -0.15 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1pwp n LEU 349 Cb 0.56 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1pwp n LEU 349 CO 0.02 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 174.88 1pwp n SER 365 N -0.14 0.00 -3.05 -1.43 7.64 -1.26 -5.25 113.62 110.14 1pwp n SER 365 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 1pwp n SER 365 Cb 0.08 -0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1pwp n SER 365 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1pwp n ASN 366 N -0.07 -0.82 -4.63 6.43 2.04 -1.26 -5.13 115.26 111.82 1pwp n ASN 366 Ca 0.00 -2.89 -0.46 0.00 -0.44 0.00 0.00 54.58 50.79 1pwp n ASN 366 Cb 0.01 0.16 -0.03 0.00 -2.53 0.00 0.00 39.78 37.39 1pwp n ASN 366 CO 0.00 0.00 0.00 -2.65 -0.44 0.00 0.00 177.26 174.17 1pwp n PRO 367 N 1.49 1.63 -2.92 -0.53 -0.02 -1.26 -4.91 135.00 128.49 1pwp n PRO 367 Ca 0.17 0.58 -0.44 0.00 -2.02 0.00 0.00 63.50 61.79 1pwp n PRO 367 Cb 0.56 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 1pwp n PRO 367 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1pwp s LEU 368 N 0.25 5.01 0.74 2.45 1.43 -1.26 -5.02 118.68 122.28 1pwp s LEU 368 Ca 0.67 -2.02 -0.14 0.00 -1.03 0.00 0.00 54.13 51.60 1pwp s LEU 368 Cb -0.72 -2.40 0.04 0.00 0.03 0.00 0.00 46.19 43.14 1pwp s LEU 368 CO 0.53 -1.08 1.19 -0.55 0.23 0.00 0.00 176.35 176.67 1pwp s SER 369 N 3.67 4.20 0.00 2.29 0.15 -1.26 -5.01 113.70 117.75 1pwp s SER 369 Ca 0.33 2.28 0.00 0.00 0.70 0.00 0.00 55.95 59.26 1pwp s SER 369 Cb -0.05 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1pwp s SER 369 CO -0.09 -2.25 0.04 -0.62 1.20 0.00 0.00 173.24 171.51 1pwp n GLU 370 N -2.84 0.00 0.00 5.44 -0.58 -1.26 -3.27 120.64 118.13 1pwp n GLU 370 Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 1pwp n GLU 370 Cb 0.51 -0.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.94 1pwp n GLU 370 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1pwp n LYS 371 N -0.39 0.00 0.04 3.49 4.01 -1.26 -0.16 118.16 123.88 1pwp n LYS 371 Ca 0.00 0.27 -0.21 0.00 -0.51 0.00 0.00 58.31 57.86 1pwp n LYS 371 Cb 0.00 -1.69 -0.14 0.00 -0.51 0.00 0.00 35.03 32.68 1pwp n LYS 371 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 1pwp h GLU 372 N 0.00 0.28 0.00 1.97 5.08 -1.98 -2.38 114.58 117.55 1pwp h GLU 372 Ca 0.00 -0.48 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 1pwp h GLU 372 Cb 0.39 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1pwp h GLU 372 CO 0.00 1.23 -0.11 1.57 -1.00 0.00 0.00 179.01 180.70 1pwp h LYS 373 N -0.35 0.00 -0.21 2.33 2.10 -0.54 0.54 116.57 120.44 1pwp h LYS 373 Ca -0.20 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.25 1pwp h LYS 373 Cb 1.69 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 33.02 1pwp h LYS 373 CO 0.12 0.11 -0.65 1.49 -2.00 0.00 0.00 179.45 178.51 1pwp h GLU 374 N 0.00 0.81 -0.50 0.07 4.81 -1.47 -1.01 114.58 117.28 1pwp h GLU 374 Ca -0.00 -0.59 -0.11 0.00 -0.13 0.00 0.00 59.36 58.52 1pwp h GLU 374 Cb 0.47 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 1pwp h GLU 374 CO 0.01 1.21 -0.13 0.35 -0.73 0.00 0.00 179.01 179.73 1pwp h PHE 375 N 0.56 1.10 0.00 0.92 3.57 -0.71 -2.34 116.94 120.03 1pwp h PHE 375 Ca -0.02 -0.24 -0.06 0.00 3.53 0.00 0.00 57.97 61.18 1pwp h PHE 375 Cb 1.27 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 1pwp h PHE 375 CO 0.08 1.04 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.83 1pwp h LEU 376 N 0.84 0.00 -0.06 0.59 3.38 -0.87 -2.71 115.31 116.47 1pwp h LEU 376 Ca 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1pwp h LEU 376 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1pwp h LEU 376 CO 0.05 0.30 -0.11 0.11 0.09 0.00 0.00 178.44 178.89 1pwp h LYS 377 N 0.00 0.18 -0.76 1.13 1.57 -0.92 -2.52 116.57 115.25 1pwp h LYS 377 Ca -0.00 -0.11 0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1pwp h LYS 377 Cb 0.82 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.07 1pwp h LYS 377 CO 0.04 0.69 0.41 0.87 -0.57 0.00 0.00 179.45 180.89 1pwp h LYS 378 N -0.30 0.68 0.00 3.15 1.57 -1.32 -1.66 116.57 118.69 1pwp h LYS 378 Ca 0.00 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1pwp h LYS 378 Cb 0.67 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1pwp h LYS 378 CO 0.02 0.45 -0.28 -0.07 -0.57 0.00 0.00 179.45 179.00 1pwp h LEU 379 N 0.70 0.00 -0.61 2.94 3.38 -1.46 -2.80 115.31 117.46 1pwp h LEU 379 Ca 0.37 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.36 1pwp h LEU 379 Cb 0.35 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1pwp h LEU 379 CO -0.25 0.28 0.38 0.50 0.09 0.00 0.00 178.44 179.44 1pwp h LYS 380 N 0.00 0.73 -0.54 1.13 3.64 -0.84 0.27 116.57 120.96 1pwp h LYS 380 Ca -0.00 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1pwp h LYS 380 Cb 0.63 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1pwp h LYS 380 CO 0.04 0.48 0.23 -0.07 -2.27 0.00 0.00 179.45 177.86 1pwp h LEU 381 N 0.75 0.74 -1.24 5.20 3.38 -1.50 -3.06 115.31 119.58 1pwp h LEU 381 Ca 0.24 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1pwp h LEU 381 Cb 0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1pwp h LEU 381 CO -0.09 0.70 -0.33 0.44 0.09 0.00 0.00 178.44 179.24 1pwp h ASP 382 N 0.73 0.07 -0.51 -0.43 5.19 -1.13 -3.20 116.42 117.15 1pwp h ASP 382 Ca 0.18 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 1pwp h ASP 382 Cb 0.18 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.67 1pwp h ASP 382 CO -0.02 0.41 0.00 2.30 -3.12 0.00 0.00 179.24 178.81 1pwp n ILE 383 N -4.12 2.22 -3.19 0.35 -5.35 0.87 -4.93 119.36 105.21 1pwp n ILE 383 Ca -0.02 -1.16 -0.35 0.00 -0.27 0.00 0.00 62.75 60.95 1pwp n ILE 383 Cb 0.39 -0.23 -0.06 0.00 -1.74 0.00 0.00 39.64 38.00 1pwp n ILE 383 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1pwp s GLN 384 N -2.37 4.10 0.54 6.28 -1.52 -1.21 -4.68 119.66 120.80 1pwp s GLN 384 Ca 0.46 0.70 -0.19 0.00 -1.95 0.00 0.00 55.36 54.38 1pwp s GLN 384 Cb 0.34 -2.78 -0.06 0.00 -0.22 0.00 0.00 33.01 30.29 1pwp s GLN 384 CO 0.15 0.36 1.12 -2.14 -0.25 0.00 0.00 175.29 174.53 1pwp s PRO 385 N -2.24 3.38 -0.58 2.91 0.02 -1.26 -4.61 135.00 132.61 1pwp s PRO 385 Ca 0.44 1.57 -0.27 0.00 0.02 0.00 0.00 61.00 62.77 1pwp s PRO 385 Cb -0.15 -2.01 0.03 0.00 0.02 0.00 0.00 34.50 32.40 1pwp s PRO 385 CO 0.20 -0.82 1.13 -0.47 -0.33 0.00 0.00 177.00 176.71 1pwp s TYR 386 N -1.82 2.64 -0.37 6.54 5.04 0.27 -4.90 117.35 124.74 1pwp s TYR 386 Ca 0.72 0.27 0.01 0.00 -2.44 0.00 0.00 57.07 55.63 1pwp s TYR 386 Cb -0.23 -4.40 0.12 0.00 0.35 0.00 0.00 41.96 37.81 1pwp s TYR 386 CO 0.27 -1.54 0.18 0.34 -1.34 0.00 0.00 175.55 173.45 1pwp s ASP 387 N 2.96 3.68 0.15 4.32 -1.08 -1.26 -2.04 116.67 123.41 1pwp s ASP 387 Ca 0.39 -2.16 -0.22 0.00 -0.52 0.00 0.00 52.55 50.05 1pwp s ASP 387 Cb -0.09 -0.86 0.04 0.00 -1.46 0.00 0.00 42.92 40.55 1pwp s ASP 387 CO 0.23 -0.33 1.64 0.40 0.52 0.00 0.00 175.17 177.62 1pwp h ILE 388 N 5.70 0.42 -0.94 4.11 2.04 -1.91 0.13 117.51 127.06 1pwp h ILE 388 Ca -0.05 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1pwp h ILE 388 Cb 0.97 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 1pwp h ILE 388 CO 0.44 0.00 0.57 0.78 0.00 0.00 0.00 178.15 179.94 1pwp h ASN 389 N -0.21 1.12 -0.43 1.72 2.35 -1.95 -1.56 115.58 116.62 1pwp h ASN 389 Ca 0.15 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 1pwp h ASN 389 Cb 0.43 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1pwp h ASN 389 CO -0.39 0.85 0.07 -0.61 -1.65 0.00 0.00 177.43 175.70 1pwp h GLN 390 N 1.29 0.78 -0.70 0.81 5.75 -1.74 -1.60 115.11 119.70 1pwp h GLN 390 Ca 0.34 -0.17 -0.06 0.00 -0.15 0.00 0.00 58.65 58.60 1pwp h GLN 390 Cb -0.07 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.34 1pwp h GLN 390 CO -0.06 0.74 0.20 -0.09 -2.65 0.00 0.00 178.83 176.96 1pwp h ARG 391 N 0.74 1.08 -0.36 1.69 9.65 0.16 -1.73 114.38 125.62 1pwp h ARG 391 Ca 0.16 -0.24 -0.09 0.00 -1.10 0.00 0.00 59.98 58.71 1pwp h ARG 391 Cb 0.35 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 1pwp h ARG 391 CO 0.01 0.94 -0.14 -0.07 2.80 0.00 0.00 179.97 183.50 1pwp h LEU 392 N 1.04 0.74 -0.62 3.80 3.38 -0.74 -2.66 115.31 120.25 1pwp h LEU 392 Ca 0.22 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1pwp h LEU 392 Cb 0.32 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1pwp h LEU 392 CO -0.00 0.97 0.34 -0.61 0.09 0.00 0.00 178.44 179.22 1pwp h GLN 393 N 0.52 0.86 -0.60 1.13 4.15 -1.09 0.29 115.11 120.36 1pwp h GLN 393 Ca 0.08 -0.10 -0.06 0.00 0.77 0.00 0.00 58.65 59.34 1pwp h GLN 393 Cb 0.67 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 1pwp h GLN 393 CO 0.05 0.66 0.12 -0.44 -1.93 0.00 0.00 178.83 177.28 1pwp h ASP 394 N 0.84 0.90 0.03 -0.69 3.32 -1.29 -3.11 116.42 116.43 1pwp h ASP 394 Ca 0.22 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1pwp h ASP 394 Cb 0.04 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.36 1pwp h ASP 394 CO -0.03 0.89 -0.33 0.35 -1.72 0.00 0.00 179.24 178.40 1pwp n THR 395 N -4.24 0.00 -1.61 0.35 -2.24 -1.01 -2.28 114.28 103.26 1pwp n THR 395 Ca 0.04 -0.27 -0.20 0.00 -2.27 0.00 0.00 64.05 61.35 1pwp n THR 395 Cb 0.26 1.08 -0.08 0.00 -2.10 0.00 0.00 70.33 69.49 1pwp n THR 395 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pwp n GLY 396 N 1.38 1.78 0.00 3.38 0.00 0.97 -1.20 105.19 111.50 1pwp n GLY 396 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1pwp n GLY 396 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwp n GLY 397 N -0.59 3.19 3.18 -0.02 0.00 -1.02 -4.92 105.19 105.00 1pwp n GLY 397 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 1pwp n GLY 397 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pwp n LEU 398 N 0.00 4.47 0.00 0.99 4.77 -0.34 -4.72 117.00 122.17 1pwp n LEU 398 Ca 0.00 -3.28 0.07 0.00 -0.03 0.00 0.00 56.01 52.77 1pwp n LEU 398 Cb 0.00 -1.40 0.40 0.00 -2.33 0.00 0.00 43.42 40.09 1pwp n LEU 398 CO 0.00 -0.35 0.62 2.30 -1.33 0.00 0.00 177.39 178.64 1pwp n ILE 399 N 6.25 0.06 0.73 -0.08 -5.35 -1.26 -2.41 119.36 117.30 1pwp n ILE 399 Ca 0.49 0.02 0.12 0.00 -0.27 0.00 0.00 62.75 63.11 1pwp n ILE 399 Cb 0.42 -0.80 0.19 0.00 -1.74 0.00 0.00 39.64 37.71 1pwp n ILE 399 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1pwp n ASP 400 N -1.03 3.06 -4.72 7.28 10.43 -1.26 -4.84 116.55 125.46 1pwp n ASP 400 Ca 0.10 -1.95 -0.42 0.00 2.57 0.00 0.00 54.79 55.08 1pwp n ASP 400 Cb 0.05 -0.12 -0.03 0.00 1.84 0.00 0.00 41.12 42.87 1pwp n ASP 400 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1pwp n SER 401 N 1.30 3.80 -0.17 -2.24 7.64 -1.01 -4.84 113.62 118.09 1pwp n SER 401 Ca 0.17 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.15 1pwp n SER 401 Cb 0.58 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1pwp n SER 401 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1pwp n PRO 402 N 3.12 0.43 0.19 1.43 -0.02 -1.26 -4.12 135.00 134.76 1pwp n PRO 402 Ca 0.13 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.75 1pwp n PRO 402 Cb 0.35 -1.07 0.64 0.00 -0.02 0.00 0.00 33.50 33.39 1pwp n PRO 402 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1pwp h SER 403 N 0.20 0.00 -5.23 2.55 4.64 -1.89 -3.45 113.55 110.37 1pwp h SER 403 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1pwp h SER 403 Cb 0.07 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.02 1pwp h SER 403 CO 0.00 0.00 -0.52 0.27 -0.87 0.00 0.00 176.83 175.71 1pwp s ILE 404 N -3.54 0.16 0.20 0.95 -0.00 -1.26 -4.95 121.20 112.76 1pwp s ILE 404 Ca 0.00 -1.53 -0.31 0.00 -0.00 0.00 0.00 60.65 58.81 1pwp s ILE 404 Cb 0.09 -1.54 -0.16 0.00 -0.00 0.00 0.00 42.46 40.85 1pwp s ILE 404 CO 0.35 -0.73 1.03 0.59 -0.00 0.00 0.00 174.94 176.17 1pwp n ASN 405 N -0.01 0.94 -0.34 4.36 3.02 -1.26 -4.65 115.26 117.32 1pwp n ASN 405 Ca -0.13 1.15 0.19 0.00 -0.03 0.00 0.00 54.58 55.76 1pwp n ASN 405 Cb 0.62 -1.19 0.42 0.00 -0.61 0.00 0.00 39.78 39.02 1pwp n ASN 405 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1pwp h LEU 406 N 2.63 0.61 -0.15 3.41 5.85 -1.98 -1.18 115.31 124.50 1pwp h LEU 406 Ca -0.40 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.45 1pwp h LEU 406 Cb 1.36 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 1pwp h LEU 406 CO 0.65 0.12 0.03 -2.24 -0.34 0.00 0.00 178.44 176.66 1pwp h ASP 407 N 0.53 0.01 0.68 1.25 2.03 -2.01 -2.59 116.42 116.32 1pwp h ASP 407 Ca 0.62 0.02 -0.10 0.00 -0.73 0.00 0.00 57.03 56.84 1pwp h ASP 407 Cb 1.29 0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 39.81 1pwp h ASP 407 CO -0.40 0.03 -0.48 0.58 -1.03 0.00 0.00 179.24 177.94 1pwp h VAL 408 N 0.09 1.17 -0.40 4.15 2.07 -1.66 -3.01 116.25 118.65 1pwp h VAL 408 Ca 0.06 -1.74 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 1pwp h VAL 408 Cb 0.06 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1pwp h VAL 408 CO -0.09 0.47 0.21 -0.09 0.02 0.00 0.00 177.57 178.09 1pwp h ARG 409 N 0.00 0.57 -0.48 1.57 2.43 -0.95 -2.59 114.38 114.93 1pwp h ARG 409 Ca -0.00 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 58.99 1pwp h ARG 409 Cb 0.95 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 1pwp h ARG 409 CO 0.06 0.49 -0.09 0.87 -1.51 0.00 0.00 179.97 179.79 1pwp h LYS 410 N 0.52 0.86 -0.44 0.20 1.57 -1.38 -1.75 116.57 116.15 1pwp h LYS 410 Ca 0.14 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 1pwp h LYS 410 Cb 0.09 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1pwp h LYS 410 CO -0.02 0.92 0.02 0.37 -0.57 0.00 0.00 179.45 180.16 1pwp h GLN 411 N 0.78 0.70 -0.29 3.15 5.75 -1.43 0.13 115.11 123.90 1pwp h GLN 411 Ca 0.13 -0.17 -0.09 0.00 -0.15 0.00 0.00 58.65 58.37 1pwp h GLN 411 Cb 0.60 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 1pwp h GLN 411 CO 0.04 0.70 -0.18 1.88 -2.65 0.00 0.00 178.83 178.62 1pwp h TYR 412 N 0.66 0.73 -0.63 3.99 0.99 -1.19 -1.95 116.97 119.58 1pwp h TYR 412 Ca 0.14 -0.19 -0.03 0.00 2.00 0.00 0.00 58.73 60.64 1pwp h TYR 412 Cb 0.39 -0.16 -0.03 0.00 1.00 0.00 0.00 36.73 37.92 1pwp h TYR 412 CO 0.02 0.88 0.26 -0.22 -0.00 0.00 0.00 178.16 179.10 1pwp h LYS 413 N 0.37 0.93 0.37 4.88 3.64 -1.07 -1.32 116.57 124.37 1pwp h LYS 413 Ca 0.06 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1pwp h LYS 413 Cb 0.71 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1pwp h LYS 413 CO 0.05 0.79 -0.18 -0.09 -2.27 0.00 0.00 179.45 177.75 1pwp h ARG 414 N 0.88 -0.47 -0.88 1.90 2.43 -0.92 -1.23 114.38 116.08 1pwp h ARG 414 Ca 0.21 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.45 1pwp h ARG 414 Cb 0.20 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 1pwp h ARG 414 CO -0.02 -0.27 0.57 -0.44 -1.51 0.00 0.00 179.97 178.30 1pwp h ASP 415 N -0.57 0.94 -0.09 -3.80 3.32 -1.27 -1.63 116.42 113.32 1pwp h ASP 415 Ca -0.05 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 1pwp h ASP 415 Cb 0.43 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 1pwp h ASP 415 CO 0.08 0.65 -0.09 0.40 -1.72 0.00 0.00 179.24 178.56 1pwp h ILE 416 N 1.10 1.37 -0.25 0.35 2.04 -1.23 -0.17 117.51 120.71 1pwp h ILE 416 Ca 0.35 -1.26 0.07 0.00 1.00 0.00 0.00 64.86 65.03 1pwp h ILE 416 Cb 0.01 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1pwp h ILE 416 CO -0.12 0.35 0.19 1.56 0.00 0.00 0.00 178.15 180.14 1pwp h GLN 417 N -0.20 0.00 0.25 2.37 4.20 -1.07 -0.35 115.11 120.31 1pwp h GLN 417 Ca 0.01 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.38 1pwp h GLN 417 Cb 0.61 0.00 0.04 0.00 0.30 0.00 0.00 27.48 28.43 1pwp h GLN 417 CO 0.02 0.00 -1.51 -0.91 -0.67 0.00 0.00 178.83 175.76 1pwp h ASN 418 N 0.00 0.83 -0.46 1.46 2.35 -0.90 -3.14 115.58 115.72 1pwp h ASN 418 Ca 0.12 -0.91 -0.05 0.00 -0.55 0.00 0.00 56.30 54.91 1pwp h ASN 418 Cb 0.51 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1pwp h ASN 418 CO -0.00 1.72 0.13 0.40 -1.65 0.00 0.00 177.43 178.02 1pwp h ILE 419 N 0.15 1.22 -0.35 2.81 2.04 -0.12 -1.83 117.51 121.42 1pwp h ILE 419 Ca -0.27 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 1pwp h ILE 419 Cb 2.17 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 1pwp h ILE 419 CO 0.27 0.29 0.18 0.44 0.00 0.00 0.00 178.15 179.33 1pwp h ASP 420 N 0.76 0.42 0.73 1.72 3.32 -1.17 -1.62 116.42 120.57 1pwp h ASP 420 Ca 0.17 -0.03 -0.23 0.00 0.02 0.00 0.00 57.03 56.97 1pwp h ASP 420 Cb 0.28 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1pwp h ASP 420 CO -0.00 0.35 -1.03 0.00 -1.72 0.00 0.00 179.24 176.83 1pwp h ALA 421 N 1.72 0.33 -0.42 3.45 0.00 -1.31 -3.31 119.26 119.72 1pwp h ALA 421 Ca 0.12 -0.83 -0.10 0.00 0.00 0.00 0.00 54.91 54.10 1pwp h ALA 421 Cb 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1pwp h ALA 421 CO -0.02 1.04 -0.12 -0.07 0.00 0.00 0.00 179.25 180.07 1pwp h LEU 422 N 0.06 0.83 -6.14 0.00 3.38 -0.70 -3.33 115.31 109.41 1pwp h LEU 422 Ca -0.06 -0.37 -0.74 0.00 0.09 0.00 0.00 57.88 56.79 1pwp h LEU 422 Cb 1.74 -0.23 -0.13 0.00 0.09 0.00 0.00 40.66 42.13 1pwp h LEU 422 CO 0.16 1.02 2.31 0.18 0.09 0.00 0.00 178.44 182.19 1pwp n LEU 423 N -4.29 7.10 -0.04 1.67 4.77 -0.67 -4.59 117.00 120.95 1pwp n LEU 423 Ca -0.01 -4.64 0.02 0.00 -0.03 0.00 0.00 56.01 51.35 1pwp n LEU 423 Cb 0.38 -1.47 -0.16 0.00 -2.33 0.00 0.00 43.42 39.84 1pwp n LEU 423 CO 0.44 1.54 -0.90 0.00 -1.33 0.00 0.00 177.39 177.14 1pwp n HIS 424 N 3.57 0.04 -2.92 -1.77 1.44 -1.25 -4.39 115.22 109.94 1pwp n HIS 424 Ca 0.48 0.01 -0.41 0.00 -2.01 0.00 0.00 57.72 55.79 1pwp n HIS 424 Cb 0.33 -0.73 -0.04 0.00 0.12 0.00 0.00 29.99 29.67 1pwp n HIS 424 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 1pwp s GLN 425 N -3.08 4.24 0.54 -1.40 0.74 -1.26 -4.86 119.66 114.58 1pwp s GLN 425 Ca -0.09 0.93 -0.17 0.00 0.05 0.00 0.00 55.36 56.09 1pwp s GLN 425 Cb 0.11 -3.60 -0.06 0.00 1.10 0.00 0.00 33.01 30.55 1pwp s GLN 425 CO 0.87 -0.39 1.02 -1.54 -0.55 0.00 0.00 175.29 174.70 1pwp s SER 426 N 1.23 6.29 0.46 6.67 1.04 -1.26 -1.90 113.70 126.23 1pwp s SER 426 Ca 0.36 1.69 0.11 0.00 0.48 0.00 0.00 55.95 58.59 1pwp s SER 426 Cb -0.16 -2.52 1.04 0.00 0.10 0.00 0.00 66.02 64.48 1pwp s SER 426 CO 0.10 -0.82 2.09 -0.29 0.98 0.00 0.00 173.24 175.31 1pwp h ILE 427 N 0.80 1.05 -1.39 -1.02 6.09 -1.09 -3.45 117.51 118.49 1pwp h ILE 427 Ca -0.47 -0.11 -0.77 0.00 -1.37 0.00 0.00 64.86 62.14 1pwp h ILE 427 Cb 1.20 0.70 0.02 0.00 0.47 0.00 0.00 36.82 39.21 1pwp h ILE 427 CO 0.60 0.06 0.71 0.61 -3.07 0.00 0.00 178.15 177.06 1pwp n GLY 428 N -1.51 0.55 3.34 8.18 0.00 -0.66 -4.97 105.19 110.12 1pwp n GLY 428 Ca 0.01 0.90 -0.10 0.00 0.00 0.00 0.00 46.02 46.83 1pwp n GLY 428 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pwp s SER 429 N 2.65 0.07 0.02 1.61 0.15 -1.26 -5.02 113.70 111.91 1pwp s SER 429 Ca 0.97 -1.14 0.25 0.00 0.70 0.00 0.00 55.95 56.74 1pwp s SER 429 Cb -1.17 0.44 0.56 0.00 -1.71 0.00 0.00 66.02 64.14 1pwp s SER 429 CO 0.66 -0.93 1.45 0.35 1.20 0.00 0.00 173.24 175.97 1pwp n THR 430 N -0.28 0.05 1.05 6.45 -2.24 -1.26 -3.90 114.28 114.14 1pwp n THR 430 Ca -0.01 -0.04 0.14 0.00 -2.27 0.00 0.00 64.05 61.87 1pwp n THR 430 Cb 0.64 0.13 0.63 0.00 -2.10 0.00 0.00 70.33 69.63 1pwp n THR 430 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1pwp n LEU 431 N -1.58 0.00 -3.58 3.22 4.77 -1.26 -4.91 117.00 113.66 1pwp n LEU 431 Ca 0.05 0.47 -0.08 0.00 -0.03 0.00 0.00 56.01 56.42 1pwp n LEU 431 Cb 0.35 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 1pwp n LEU 431 CO 0.34 -0.01 0.86 -0.72 -1.33 0.00 0.00 177.39 176.54 1pwp s TYR 432 N -2.94 -0.27 0.00 -1.77 -0.85 -1.25 -5.04 117.35 105.23 1pwp s TYR 432 Ca 0.16 0.38 0.00 0.00 -0.52 0.00 0.00 57.07 57.09 1pwp s TYR 432 Cb 0.19 0.48 0.00 0.00 0.38 0.00 0.00 41.96 43.01 1pwp s TYR 432 CO 0.51 -0.30 0.00 0.09 -1.52 0.00 0.00 175.55 174.33 1pwp n ASN 433 N 0.40 0.00 -4.77 -0.18 3.02 -1.26 -4.43 115.26 108.04 1pwp n ASN 433 Ca -0.07 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.08 1pwp n ASN 433 Cb 0.59 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.75 1pwp n ASN 433 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1pwp s LYS 434 N 1.37 4.07 -0.03 3.52 2.20 -1.26 -4.96 119.74 124.65 1pwp s LYS 434 Ca 0.00 2.25 0.01 0.00 -0.36 0.00 0.00 55.97 57.86 1pwp s LYS 434 Cb 0.00 -2.86 0.02 0.00 -1.51 0.00 0.00 37.83 33.48 1pwp s LYS 434 CO 0.00 -0.44 -0.01 0.42 -0.36 0.00 0.00 175.35 174.96 1pwp s ILE 435 N -1.21 0.26 -0.12 5.43 1.09 -1.26 -5.11 121.20 120.27 1pwp s ILE 435 Ca 0.54 0.03 -0.02 0.00 -1.10 0.00 0.00 60.65 60.10 1pwp s ILE 435 Cb -0.40 -0.33 -0.03 0.00 -1.06 0.00 0.00 42.46 40.65 1pwp s ILE 435 CO 0.52 0.15 -0.06 -0.31 -0.10 0.00 0.00 174.94 175.15 1pwp s TYR 436 N 0.91 2.98 0.19 3.97 1.51 -1.26 -2.55 117.35 123.09 1pwp s TYR 436 Ca -0.10 -0.21 0.11 0.00 -1.01 0.00 0.00 57.07 55.86 1pwp s TYR 436 Cb -0.13 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.82 1pwp s TYR 436 CO -0.01 0.09 -0.22 -0.51 -1.11 0.00 0.00 175.55 173.78 1pwp s LEU 437 N -0.07 2.44 0.16 -1.29 1.43 0.25 -4.82 118.68 116.78 1pwp s LEU 437 Ca 0.01 -0.87 0.10 0.00 -1.03 0.00 0.00 54.13 52.34 1pwp s LEU 437 Cb -0.13 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 1pwp s LEU 437 CO 0.03 0.07 -0.23 -0.31 0.23 0.00 0.00 176.35 176.14 1pwp s TYR 438 N -1.81 2.16 -0.12 0.29 1.51 -0.08 -0.34 117.35 118.96 1pwp s TYR 438 Ca 0.20 -0.39 -0.05 0.00 -1.01 0.00 0.00 57.07 55.81 1pwp s TYR 438 Cb -0.07 -1.11 0.05 0.00 -0.11 0.00 0.00 41.96 40.72 1pwp s TYR 438 CO 0.09 0.40 0.26 -2.00 -1.11 0.00 0.00 175.55 173.19 1pwp s GLU 439 N -2.46 0.19 -0.19 -0.62 2.12 -1.04 0.36 118.70 117.07 1pwp s GLU 439 Ca 0.17 0.63 -0.15 0.00 0.36 0.00 0.00 54.97 55.98 1pwp s GLU 439 Cb -0.08 -0.08 -0.04 0.00 0.26 0.00 0.00 34.13 34.18 1pwp s GLU 439 CO 0.08 -0.21 0.35 -0.80 -0.54 0.00 0.00 175.26 174.14 1pwp s ASN 440 N 1.73 6.42 0.15 -1.70 0.02 -1.26 -0.04 114.94 120.27 1pwp s ASN 440 Ca -0.05 0.49 0.06 0.00 -1.02 0.00 0.00 52.86 52.34 1pwp s ASN 440 Cb -0.11 -2.21 -0.04 0.00 0.02 0.00 0.00 41.25 38.91 1pwp s ASN 440 CO -0.09 -0.01 -0.13 -0.32 0.02 0.00 0.00 177.10 176.56 1pwp s MET 441 N 1.03 1.14 -0.22 -0.60 1.75 -0.05 -5.01 119.30 117.34 1pwp s MET 441 Ca 0.18 -1.40 -0.13 0.00 -1.25 0.00 0.00 55.69 53.08 1pwp s MET 441 Cb -0.14 -0.92 -0.04 0.00 2.84 0.00 0.00 34.83 36.56 1pwp s MET 441 CO 0.07 0.16 0.29 1.21 -0.65 0.00 0.00 175.02 176.09 1pwp s ASN 442 N -2.89 6.29 0.51 1.11 3.84 -1.26 -2.36 114.94 120.19 1pwp s ASN 442 Ca 0.15 0.34 0.19 0.00 0.21 0.00 0.00 52.86 53.75 1pwp s ASN 442 Cb -0.02 -2.17 1.28 0.00 -0.55 0.00 0.00 41.25 39.79 1pwp s ASN 442 CO 0.04 -0.01 2.07 -0.29 -2.79 0.00 0.00 177.10 176.12 1pwp h ILE 443 N 5.01 0.89 -0.19 -5.21 2.10 -1.95 -0.97 117.51 117.19 1pwp h ILE 443 Ca -0.37 -0.02 0.06 0.00 1.08 0.00 0.00 64.86 65.60 1pwp h ILE 443 Cb 1.17 0.83 -0.01 0.00 -1.09 0.00 0.00 36.82 37.71 1pwp h ILE 443 CO 0.69 0.01 0.29 0.78 -1.08 0.00 0.00 178.15 178.85 1pwp h ASN 444 N 0.06 0.00 0.49 2.19 2.35 -1.90 0.44 115.58 119.21 1pwp h ASN 444 Ca 0.13 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 1pwp h ASN 444 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1pwp h ASN 444 CO -0.01 0.00 -0.30 -1.13 -1.65 0.00 0.00 177.43 174.34 1pwp h ASN 445 N 0.00 0.00 0.00 5.81 -1.24 -1.55 -3.17 115.58 115.44 1pwp h ASN 445 Ca 0.09 0.00 -0.44 0.00 0.71 0.00 0.00 56.30 56.66 1pwp h ASN 445 Cb 0.68 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.66 1pwp h ASN 445 CO -0.00 0.30 -2.42 0.18 -1.29 0.00 0.00 177.43 174.20 1pwp n LEU 446 N -3.83 2.08 -3.34 0.34 4.77 0.14 -4.90 117.00 112.25 1pwp n LEU 446 Ca -0.01 0.29 -0.14 0.00 -0.03 0.00 0.00 56.01 56.11 1pwp n LEU 446 Cb 0.38 -0.85 -0.07 0.00 -2.33 0.00 0.00 43.42 40.55 1pwp n LEU 446 CO 0.36 0.60 -0.12 0.28 -1.33 0.00 0.00 177.39 177.17 1pwp s THR 447 N -2.50 -0.43 0.40 -5.08 -1.32 -0.48 -4.23 115.64 102.01 1pwp s THR 447 Ca -0.37 -0.83 0.12 0.00 -1.21 0.00 0.00 61.69 59.39 1pwp s THR 447 Cb 0.13 -0.60 0.32 0.00 -1.51 0.00 0.00 72.50 70.84 1pwp s THR 447 CO 0.52 -0.50 1.95 0.00 -2.21 0.00 0.00 174.62 174.38 1pwp h ALA 448 N 7.11 1.93 -0.69 11.08 0.00 -0.93 0.17 119.26 137.93 1pwp h ALA 448 Ca 0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1pwp h ALA 448 Cb 1.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1pwp h ALA 448 CO 0.19 -0.09 0.14 0.00 0.00 0.00 0.00 179.25 179.49 1pwp h THR 449 N 0.54 1.26 0.02 0.00 1.03 -1.72 -2.43 112.91 111.61 1pwp h THR 449 Ca 0.33 -1.01 -0.22 0.00 -0.01 0.00 0.00 66.41 65.50 1pwp h THR 449 Cb 0.56 0.59 -0.02 0.00 -1.07 0.00 0.00 68.15 68.20 1pwp h THR 449 CO -0.11 0.38 -1.02 -0.07 -0.01 0.00 0.00 175.52 174.70 1pwp h LEU 450 N 1.06 0.07 -2.62 0.00 3.38 -1.71 -3.19 115.31 112.29 1pwp h LEU 450 Ca 0.21 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1pwp h LEU 450 Cb 0.41 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1pwp h LEU 450 CO 0.01 1.04 0.08 1.23 0.09 0.00 0.00 178.44 180.89 1pwp h GLY 451 N 2.70 0.00 2.00 0.83 0.00 -0.28 -1.31 103.07 107.00 1pwp h GLY 451 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1pwp h GLY 451 CO 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 176.54 176.44 1pwp h ALA 452 N 1.83 1.42 -0.27 3.60 0.00 -1.43 -3.25 119.26 121.16 1pwp h ALA 452 Ca 0.00 -0.22 -0.23 0.00 0.00 0.00 0.00 54.91 54.46 1pwp h ALA 452 Cb 0.16 -0.04 -0.31 0.00 0.00 0.00 0.00 17.79 17.60 1pwp h ALA 452 CO 0.00 0.30 -0.89 -0.25 0.00 0.00 0.00 179.25 178.41 1pwp n ASP 453 N -3.99 2.14 0.02 0.00 8.00 -0.51 -4.83 116.55 117.37 1pwp n ASP 453 Ca -0.02 -2.80 -0.18 0.00 0.71 0.00 0.00 54.79 52.50 1pwp n ASP 453 Cb 0.32 -0.41 -0.14 0.00 -0.02 0.00 0.00 41.12 40.87 1pwp n ASP 453 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1pwp h LEU 454 N 1.69 0.37 -9.65 0.64 5.85 -1.57 -3.42 115.31 109.21 1pwp h LEU 454 Ca -0.03 -0.92 -0.53 0.00 0.84 0.00 0.00 57.88 57.24 1pwp h LEU 454 Cb 1.45 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 1pwp h LEU 454 CO 0.24 1.26 0.20 -0.69 -0.34 0.00 0.00 178.44 179.11 1pwp s VAL 455 N -2.54 4.48 0.07 1.05 1.01 -1.26 -0.80 120.40 122.40 1pwp s VAL 455 Ca -0.15 1.73 -0.31 0.00 0.00 0.00 0.00 61.98 63.26 1pwp s VAL 455 Cb 0.00 -4.16 -0.09 0.00 0.00 0.00 0.00 36.38 32.14 1pwp s VAL 455 CO 0.80 0.45 1.77 -0.62 0.00 0.00 0.00 175.10 177.49 1pwp s ASP 456 N -0.69 6.52 0.51 3.32 2.15 -0.03 -4.76 116.67 123.70 1pwp s ASP 456 Ca 0.38 2.58 0.22 0.00 0.43 0.00 0.00 52.55 56.16 1pwp s ASP 456 Cb -0.22 -2.56 1.32 0.00 -0.30 0.00 0.00 42.92 41.16 1pwp s ASP 456 CO 0.26 -0.96 2.01 0.28 -0.17 0.00 0.00 175.17 176.59 1pwp h SER 457 N 8.94 0.06 0.00 -0.34 0.02 -1.94 -3.17 113.55 117.12 1pwp h SER 457 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1pwp h SER 457 Cb 1.21 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1pwp h SER 457 CO 0.94 0.03 -0.15 0.74 -1.14 0.00 0.00 176.83 177.25 1pwp h THR 458 N 0.07 0.00 -3.41 -2.27 2.02 -1.98 -3.44 112.91 103.90 1pwp h THR 458 Ca 0.22 -0.63 -0.72 0.00 0.77 0.00 0.00 66.41 66.04 1pwp h THR 458 Cb 0.79 0.00 -0.25 0.00 -1.74 0.00 0.00 68.15 66.95 1pwp h THR 458 CO -0.02 0.00 -0.42 -0.62 0.37 0.00 0.00 175.52 174.84 1pwp s ASP 459 N -4.76 5.85 0.00 4.18 3.68 -1.20 -4.95 116.67 119.47 1pwp s ASP 459 Ca -0.04 -1.37 0.04 0.00 2.13 0.00 0.00 52.55 53.31 1pwp s ASP 459 Cb 0.01 -2.07 0.21 0.00 -1.45 0.00 0.00 42.92 39.61 1pwp s ASP 459 CO 0.07 -0.56 1.01 -0.46 0.13 0.00 0.00 175.17 175.35 1pwp n ASN 460 N 5.04 0.00 0.06 -0.34 0.23 -1.23 -1.47 115.26 117.56 1pwp n ASN 460 Ca -0.11 0.29 0.12 0.00 -0.53 0.00 0.00 54.58 54.35 1pwp n ASN 460 Cb 0.44 -0.34 0.15 0.00 -2.08 0.00 0.00 39.78 37.94 1pwp n ASN 460 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 1pwp h THR 461 N 0.00 0.00 -2.75 5.53 1.35 -1.93 -3.45 112.91 111.67 1pwp h THR 461 Ca 0.00 -0.53 -0.58 0.00 -0.55 0.00 0.00 66.41 64.75 1pwp h THR 461 Cb 0.05 1.09 -0.05 0.00 -1.73 0.00 0.00 68.15 67.50 1pwp h THR 461 CO 0.00 0.00 -0.53 -0.54 -0.25 0.00 0.00 175.52 174.20 1pwp s LYS 462 N -3.19 3.13 -0.12 4.72 3.01 -0.54 -1.29 119.74 125.46 1pwp s LYS 462 Ca 0.05 -0.71 -0.02 0.00 -1.01 0.00 0.00 55.97 54.29 1pwp s LYS 462 Cb 0.13 -2.81 -0.03 0.00 -1.01 0.00 0.00 37.83 34.12 1pwp s LYS 462 CO 0.73 0.52 -0.05 0.42 0.51 0.00 0.00 175.35 177.49 1pwp s ILE 463 N -1.67 3.84 -0.14 2.17 1.01 -1.26 -0.85 121.20 124.30 1pwp s ILE 463 Ca 0.32 -0.39 -0.29 0.00 0.00 0.00 0.00 60.65 60.29 1pwp s ILE 463 Cb -0.11 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 1pwp s ILE 463 CO 0.25 0.54 1.81 0.21 0.00 0.00 0.00 174.94 177.75 1pwp s ASN 464 N -0.10 6.26 0.45 3.58 3.84 0.02 -4.84 114.94 124.15 1pwp s ASN 464 Ca 0.02 1.98 0.12 0.00 0.21 0.00 0.00 52.86 55.18 1pwp s ASN 464 Cb -0.13 -2.53 1.04 0.00 -0.55 0.00 0.00 41.25 39.08 1pwp s ASN 464 CO 0.03 -1.30 2.08 0.03 -2.79 0.00 0.00 177.10 175.14 1pwp h ARG 465 N 11.34 0.32 0.47 0.43 -0.00 -1.95 -0.63 114.38 124.36 1pwp h ARG 465 Ca -0.39 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.05 1pwp h ARG 465 Cb 1.19 -0.07 -0.01 0.00 0.00 0.00 0.00 29.97 31.08 1pwp h ARG 465 CO 0.97 0.21 -0.29 0.78 0.00 0.00 0.00 179.97 181.65 1pwp h GLY 466 N 0.33 -0.77 1.41 0.04 0.00 -1.95 -1.85 103.07 100.27 1pwp h GLY 466 Ca 0.12 0.32 -0.10 0.00 0.00 0.00 0.00 47.33 47.67 1pwp h GLY 466 CO -0.03 -0.29 -0.18 -2.22 0.00 0.00 0.00 176.54 173.83 1pwp h ILE 467 N -0.73 1.26 -0.10 2.60 5.03 -1.75 -3.02 117.51 120.80 1pwp h ILE 467 Ca -0.05 -1.24 0.04 0.00 -0.12 0.00 0.00 64.86 63.49 1pwp h ILE 467 Cb 0.60 1.17 -0.05 0.00 -3.03 0.00 0.00 36.82 35.51 1pwp h ILE 467 CO 0.05 0.41 -0.21 0.15 -0.68 0.00 0.00 178.15 177.88 1pwp h PHE 468 N 0.62 -0.55 -0.85 1.37 3.57 -0.89 0.33 116.94 120.54 1pwp h PHE 468 Ca 0.10 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1pwp h PHE 468 Cb 0.65 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.61 1pwp h PHE 468 CO 0.03 -0.29 0.56 -0.91 -2.23 0.00 0.00 178.31 175.47 1pwp h ASN 469 N -0.28 0.98 -0.01 0.41 2.35 -1.32 0.07 115.58 117.78 1pwp h ASN 469 Ca 0.09 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1pwp h ASN 469 Cb 0.41 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 1pwp h ASN 469 CO -0.26 0.72 0.00 -0.08 -1.65 0.00 0.00 177.43 176.16 1pwp h GLU 470 N 1.15 0.02 -0.72 0.81 4.81 -1.26 -0.48 114.58 118.92 1pwp h GLU 470 Ca 0.31 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.61 1pwp h GLU 470 Cb -0.12 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.19 1pwp h GLU 470 CO -0.07 0.30 0.39 0.35 -0.73 0.00 0.00 179.01 179.26 1pwp h PHE 471 N -0.27 0.71 -0.31 0.92 3.57 0.10 -2.44 116.94 119.22 1pwp h PHE 471 Ca 0.00 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 1pwp h PHE 471 Cb 0.30 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1pwp h PHE 471 CO 0.03 0.31 -0.26 -0.22 -2.23 0.00 0.00 178.31 175.94 1pwp h LYS 472 N 0.69 0.61 0.00 1.11 3.64 -0.86 -3.40 116.57 118.36 1pwp h LYS 472 Ca 0.34 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1pwp h LYS 472 Cb 0.27 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1pwp h LYS 472 CO -0.22 0.81 0.00 1.17 -2.27 0.00 0.00 179.45 178.94 1pwp n LYS 473 N -4.10 0.00 -1.12 1.90 4.81 -0.20 -1.90 118.16 117.54 1pwp n LYS 473 Ca -0.00 0.08 -0.17 0.00 -0.87 0.00 0.00 58.31 57.34 1pwp n LYS 473 Cb 0.43 -0.14 0.17 0.00 0.02 0.00 0.00 35.03 35.50 1pwp n LYS 473 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1pwp n ASN 474 N -0.85 3.76 -4.48 3.14 5.03 -1.26 -4.88 115.26 115.72 1pwp n ASN 474 Ca 0.00 -3.73 -0.44 0.00 0.87 0.00 0.00 54.58 51.29 1pwp n ASN 474 Cb 0.00 -0.74 -0.02 0.00 -1.02 0.00 0.00 39.78 38.01 1pwp n ASN 474 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1pwp s PHE 475 N -3.37 3.16 -0.22 3.10 5.36 -0.80 -3.57 117.98 121.64 1pwp s PHE 475 Ca 0.52 -1.59 -0.01 0.00 -0.96 0.00 0.00 56.93 54.90 1pwp s PHE 475 Cb 0.45 -4.37 -0.13 0.00 -0.34 0.00 0.00 43.02 38.63 1pwp s PHE 475 CO 0.04 -1.53 -0.21 1.63 -1.46 0.00 0.00 175.22 173.69 1pwp n LYS 476 N 6.64 0.53 -4.25 10.12 5.02 -1.26 -4.77 118.16 130.18 1pwp n LYS 476 Ca 0.31 0.14 -0.14 0.00 -2.02 0.00 0.00 58.31 56.60 1pwp n LYS 476 Cb 0.47 -1.41 -0.10 0.00 -0.02 0.00 0.00 35.03 33.97 1pwp n LYS 476 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1pwp s TYR 477 N -2.43 1.25 0.08 2.13 -0.85 -1.26 -0.17 117.35 116.10 1pwp s TYR 477 Ca -0.30 -1.08 -0.10 0.00 -0.52 0.00 0.00 57.07 55.08 1pwp s TYR 477 Cb 0.08 -0.71 0.00 0.00 0.38 0.00 0.00 41.96 41.71 1pwp s TYR 477 CO 0.48 -0.27 0.21 0.45 -1.52 0.00 0.00 175.55 174.90 1pwp s SER 478 N -3.19 0.07 0.04 -0.18 0.15 0.04 -2.24 113.70 108.39 1pwp s SER 478 Ca 0.27 -0.55 0.03 0.00 0.70 0.00 0.00 55.95 56.40 1pwp s SER 478 Cb 0.07 0.34 -0.02 0.00 -1.71 0.00 0.00 66.02 64.69 1pwp s SER 478 CO 0.06 -0.70 -0.09 -0.63 1.20 0.00 0.00 173.24 173.08 1pwp s ILE 479 N -3.55 0.67 -0.21 6.45 1.01 -1.14 -1.40 121.20 123.02 1pwp s ILE 479 Ca 0.02 -1.06 0.02 0.00 0.00 0.00 0.00 60.65 59.63 1pwp s ILE 479 Cb 0.03 -0.70 0.04 0.00 0.01 0.00 0.00 42.46 41.85 1pwp s ILE 479 CO -0.09 -0.29 -0.13 -0.55 0.00 0.00 0.00 174.94 173.88 1pwp s SER 480 N -1.48 3.68 0.00 3.58 0.15 -1.10 -0.96 113.70 117.57 1pwp s SER 480 Ca -0.07 -1.00 0.22 0.00 0.70 0.00 0.00 55.95 55.80 1pwp s SER 480 Cb -0.09 -1.38 -0.09 0.00 -1.71 0.00 0.00 66.02 62.74 1pwp s SER 480 CO 0.01 -0.13 1.01 -1.20 1.20 0.00 0.00 173.24 174.13 1pwp n SER 481 N 4.59 1.66 -2.19 5.45 7.64 -1.25 0.36 113.62 129.88 1pwp n SER 481 Ca -0.16 -1.33 -0.03 0.00 1.01 0.00 0.00 58.87 58.36 1pwp n SER 481 Cb 0.46 0.66 -0.01 0.00 -1.01 0.00 0.00 64.21 64.31 1pwp n SER 481 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1pwp n ASN 482 N -0.54 1.96 -4.49 6.43 0.23 -1.26 -4.43 115.26 113.16 1pwp n ASN 482 Ca 0.07 -1.23 -0.43 0.00 -0.53 0.00 0.00 54.58 52.46 1pwp n ASN 482 Cb 0.42 0.05 -0.05 0.00 -2.08 0.00 0.00 39.78 38.11 1pwp n ASN 482 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 1pwp s TYR 483 N -1.27 2.95 0.24 -2.53 4.12 -1.26 -4.17 117.35 115.43 1pwp s TYR 483 Ca 0.00 -0.24 -0.30 0.00 0.02 0.00 0.00 57.07 56.56 1pwp s TYR 483 Cb 0.00 -3.71 -0.09 0.00 -1.52 0.00 0.00 41.96 36.63 1pwp s TYR 483 CO 0.00 -1.12 1.34 -1.64 0.02 0.00 0.00 175.55 174.15 1pwp s MET 484 N 3.17 4.36 -0.35 -0.62 -1.94 -1.25 -4.79 119.30 117.88 1pwp s MET 484 Ca 0.23 2.15 0.00 0.00 -1.71 0.00 0.00 55.69 56.36 1pwp s MET 484 Cb -0.16 -3.14 0.09 0.00 2.01 0.00 0.00 34.83 33.63 1pwp s MET 484 CO 0.16 -0.27 0.08 0.42 -0.01 0.00 0.00 175.02 175.40 1pwp s ILE 485 N -0.23 2.76 0.36 2.53 1.01 -1.26 -0.85 121.20 125.52 1pwp s ILE 485 Ca 0.55 -1.99 0.08 0.00 0.00 0.00 0.00 60.65 59.29 1pwp s ILE 485 Cb -0.38 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 1pwp s ILE 485 CO 0.43 -0.48 0.22 0.68 0.00 0.00 0.00 174.94 175.78 1pwp s VAL 486 N 1.07 3.00 -0.02 2.92 -7.23 -0.64 -4.88 120.40 114.62 1pwp s VAL 486 Ca 0.05 -1.57 -0.02 0.00 -1.81 0.00 0.00 61.98 58.63 1pwp s VAL 486 Cb -0.21 -3.03 -0.04 0.00 0.56 0.00 0.00 36.38 33.66 1pwp s VAL 486 CO -0.05 -0.13 0.13 -1.81 -0.31 0.00 0.00 175.10 172.93 1pwp s ASP 487 N -3.93 6.07 0.03 4.85 1.01 0.16 -0.75 116.67 124.11 1pwp s ASP 487 Ca 0.40 0.28 -0.25 0.00 0.71 0.00 0.00 52.55 53.69 1pwp s ASP 487 Cb -0.03 -1.85 -0.17 0.00 1.01 0.00 0.00 42.92 41.88 1pwp s ASP 487 CO 0.24 0.29 1.45 0.40 0.21 0.00 0.00 175.17 177.76 1pwp h ILE 488 N 3.16 0.94 -3.96 0.77 2.04 -1.58 -0.18 117.51 118.70 1pwp h ILE 488 Ca -0.50 -0.48 -0.69 0.00 1.00 0.00 0.00 64.86 64.19 1pwp h ILE 488 Cb 1.19 1.24 -0.22 0.00 -0.74 0.00 0.00 36.82 38.29 1pwp h ILE 488 CO 0.65 0.11 -0.76 0.20 0.00 0.00 0.00 178.15 178.34 1pwp s ASN 489 N -5.21 4.09 0.41 1.72 0.01 -1.26 -4.58 114.94 110.12 1pwp s ASN 489 Ca -0.15 -0.22 -0.25 0.00 -0.71 0.00 0.00 52.86 51.54 1pwp s ASN 489 Cb 0.03 -0.85 -0.11 0.00 0.41 0.00 0.00 41.25 40.74 1pwp s ASN 489 CO 0.63 0.32 1.06 1.21 -1.51 0.00 0.00 177.10 178.81 1pwp n GLU 490 N 2.09 1.46 -4.19 -0.60 2.13 -1.26 -4.90 120.64 115.37 1pwp n GLU 490 Ca -0.17 0.52 -0.14 0.00 0.66 0.00 0.00 57.16 58.04 1pwp n GLU 490 Cb 0.52 -2.09 -0.10 0.00 0.27 0.00 0.00 31.44 30.04 1pwp n GLU 490 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1pwp s ARG 491 N -2.01 0.90 0.47 5.31 0.52 -1.26 -5.10 118.95 117.78 1pwp s ARG 491 Ca 0.62 -1.26 -0.24 0.00 -0.52 0.00 0.00 55.73 54.33 1pwp s ARG 491 Cb -0.56 -0.52 -0.08 0.00 0.52 0.00 0.00 34.95 34.32 1pwp s ARG 491 CO 0.57 0.07 1.37 -0.35 0.02 0.00 0.00 175.30 176.98 1pwp n PRO 492 N 0.29 2.02 -2.59 3.54 -0.04 -1.26 -4.94 135.00 132.01 1pwp n PRO 492 Ca -0.14 0.72 -0.22 0.00 -0.04 0.00 0.00 63.50 63.82 1pwp n PRO 492 Cb 0.59 -2.56 0.07 0.00 -0.04 0.00 0.00 33.50 31.56 1pwp n PRO 492 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pwp s ALA 493 N -1.22 3.78 0.30 0.55 0.00 -1.26 -5.07 121.76 118.83 1pwp s ALA 493 Ca 0.64 -1.48 -0.07 0.00 0.00 0.00 0.00 51.96 51.06 1pwp s ALA 493 Cb -0.45 -2.08 -0.06 0.00 0.00 0.00 0.00 23.12 20.53 1pwp s ALA 493 CO 0.55 -1.08 0.59 -0.51 0.00 0.00 0.00 175.76 175.31 1pwp s LEU 494 N -4.95 4.04 0.28 0.00 1.02 -1.26 -4.97 118.68 112.83 1pwp s LEU 494 Ca 0.61 0.83 -0.02 0.00 0.02 0.00 0.00 54.13 55.57 1pwp s LEU 494 Cb -0.08 -3.64 0.61 0.00 0.02 0.00 0.00 46.19 43.09 1pwp s LEU 494 CO 0.41 -0.20 1.62 0.44 0.02 0.00 0.00 176.35 178.64 1pwp h ASP 495 N 1.79 -0.25 0.00 2.29 3.32 -2.02 0.17 116.42 121.72 1pwp h ASP 495 Ca -0.47 0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1pwp h ASP 495 Cb 1.18 0.35 0.00 0.00 0.22 0.00 0.00 39.33 41.08 1pwp h ASP 495 CO 0.66 -0.21 0.00 -0.46 -1.72 0.00 0.00 179.24 177.51 1pwp n ASN 496 N -5.33 0.00 -4.21 6.45 2.04 -1.26 -4.56 115.26 108.39 1pwp n ASN 496 Ca 0.19 -1.46 -0.41 0.00 -0.44 0.00 0.00 54.58 52.46 1pwp n ASN 496 Cb 0.61 0.00 -0.07 0.00 -2.53 0.00 0.00 39.78 37.79 1pwp n ASN 496 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 1pwp s GLU 497 N -2.00 2.72 -0.16 -3.83 2.02 0.60 -4.30 118.70 113.75 1pwp s GLU 497 Ca 0.22 -2.08 0.16 0.00 0.02 0.00 0.00 54.97 53.29 1pwp s GLU 497 Cb 0.10 -3.99 0.58 0.00 0.10 0.00 0.00 34.13 30.92 1pwp s GLU 497 CO 0.17 -1.21 1.48 0.54 0.02 0.00 0.00 175.26 176.26 1pwp n ARG 498 N 4.41 3.36 -4.54 1.61 5.12 -1.12 -4.55 116.66 120.95 1pwp n ARG 498 Ca -0.00 -2.82 -0.33 0.00 -1.93 0.00 0.00 57.85 52.77 1pwp n ARG 498 Cb 0.41 -1.87 -0.16 0.00 -1.16 0.00 0.00 32.46 29.69 1pwp n ARG 498 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1pwp s LEU 499 N -2.54 2.33 -0.33 0.55 1.02 -0.99 -0.91 118.68 117.81 1pwp s LEU 499 Ca 0.43 -0.53 0.04 0.00 0.02 0.00 0.00 54.13 54.09 1pwp s LEU 499 Cb 0.33 -1.52 0.10 0.00 0.02 0.00 0.00 46.19 45.12 1pwp s LEU 499 CO 0.12 0.07 0.04 -0.54 0.02 0.00 0.00 176.35 176.07 1pwp s LYS 500 N 0.87 1.47 0.30 1.70 1.02 0.49 -0.88 119.74 124.71 1pwp s LYS 500 Ca -0.05 -1.77 -0.24 0.00 0.02 0.00 0.00 55.97 53.93 1pwp s LYS 500 Cb -0.15 -3.09 -0.09 0.00 -0.52 0.00 0.00 37.83 33.97 1pwp s LYS 500 CO -0.02 -0.92 0.88 -1.58 -0.92 0.00 0.00 175.35 172.80 1pwp s TRP 501 N 0.97 3.66 -0.26 3.18 0.52 0.95 -1.75 118.94 126.20 1pwp s TRP 501 Ca 0.09 1.66 0.01 0.00 0.02 0.00 0.00 56.10 57.88 1pwp s TRP 501 Cb -0.19 -2.83 0.07 0.00 -1.15 0.00 0.00 33.47 29.37 1pwp s TRP 501 CO -0.09 0.22 0.00 0.50 0.02 0.00 0.00 176.95 177.61 1pwp s ARG 502 N -2.11 1.32 -0.14 4.98 3.52 -0.13 -2.49 118.95 123.89 1pwp s ARG 502 Ca 0.49 -1.09 -0.03 0.00 -0.13 0.00 0.00 55.73 54.97 1pwp s ARG 502 Cb -0.17 -2.51 -0.03 0.00 -1.56 0.00 0.00 34.95 30.67 1pwp s ARG 502 CO 0.22 -0.74 -0.04 0.42 -0.81 0.00 0.00 175.30 174.36 1pwp s ILE 503 N 1.41 3.89 -0.74 4.11 -1.09 0.54 -1.41 121.20 127.89 1pwp s ILE 503 Ca 0.00 -0.37 -0.18 0.00 -2.23 0.00 0.00 60.65 57.88 1pwp s ILE 503 Cb -0.18 -2.68 0.14 0.00 -1.58 0.00 0.00 42.46 38.15 1pwp s ILE 503 CO -0.11 0.51 0.83 -1.58 -1.23 0.00 0.00 174.94 173.36 1pwp s GLN 504 N 0.15 3.33 0.62 2.79 0.74 0.70 -0.58 119.66 127.41 1pwp s GLN 504 Ca -0.01 -1.74 -0.18 0.00 0.05 0.00 0.00 55.36 53.47 1pwp s GLN 504 Cb -0.14 -4.47 -0.03 0.00 1.10 0.00 0.00 33.01 29.47 1pwp s GLN 504 CO 0.03 -1.53 1.15 1.28 -0.55 0.00 0.00 175.29 175.67 1pwp n LEU 505 N 5.74 4.96 -4.90 3.68 7.99 -1.06 -1.92 117.00 131.50 1pwp n LEU 505 Ca 0.05 0.83 -0.29 0.00 -0.01 0.00 0.00 56.01 56.59 1pwp n LEU 505 Cb 0.45 -1.48 -0.03 0.00 -0.11 0.00 0.00 43.42 42.25 1pwp n LEU 505 CO 0.50 -1.35 0.29 -0.55 -1.51 0.00 0.00 177.39 174.77 1pwp s SER 506 N -1.29 6.45 0.48 -1.43 0.15 -1.26 -4.63 113.70 112.17 1pwp s SER 506 Ca 0.79 0.84 0.22 0.00 0.70 0.00 0.00 55.95 58.50 1pwp s SER 506 Cb -0.40 -2.20 1.24 0.00 -1.71 0.00 0.00 66.02 62.95 1pwp s SER 506 CO 0.44 -0.29 2.03 -0.65 1.20 0.00 0.00 173.24 175.96 1pwp h PRO 507 N 1.39 0.00 -0.09 5.44 0.11 -1.95 -2.53 132.00 134.37 1pwp h PRO 507 Ca -0.48 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 1pwp h PRO 507 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1pwp h PRO 507 CO 0.65 0.16 -0.38 -0.44 -0.21 0.00 0.00 178.00 177.77 1pwp h ASP 508 N 0.00 0.19 -1.83 -2.05 3.45 -1.96 -1.74 116.42 112.48 1pwp h ASP 508 Ca -0.00 -0.07 -0.67 0.00 0.43 0.00 0.00 57.03 56.72 1pwp h ASP 508 Cb 0.35 -0.05 0.02 0.00 -0.56 0.00 0.00 39.33 39.09 1pwp h ASP 508 CO 0.02 0.56 0.95 0.41 -1.57 0.00 0.00 179.24 179.61 1pwp n THR 509 N -4.05 0.38 -2.88 0.35 -1.04 -0.95 -4.69 114.28 101.39 1pwp n THR 509 Ca -0.01 -0.07 -0.32 0.00 -2.04 0.00 0.00 64.05 61.61 1pwp n THR 509 Cb 0.45 -1.51 -0.05 0.00 -1.82 0.00 0.00 70.33 67.40 1pwp n THR 509 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1pwp s ARG 510 N 3.35 3.94 0.23 -2.82 0.52 -1.26 -0.93 118.95 121.98 1pwp s ARG 510 Ca 0.93 0.69 -0.22 0.00 -0.52 0.00 0.00 55.73 56.61 1pwp s ARG 510 Cb -0.86 -2.34 0.04 0.00 0.52 0.00 0.00 34.95 32.31 1pwp s ARG 510 CO 0.56 -0.00 0.84 0.00 0.02 0.00 0.00 175.30 176.72 1pwp s ALA 511 N -2.25 -1.39 0.04 2.13 0.00 -0.80 -2.83 121.76 116.67 1pwp s ALA 511 Ca 0.55 -0.16 0.07 0.00 0.00 0.00 0.00 51.96 52.42 1pwp s ALA 511 Cb -0.10 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 1pwp s ALA 511 CO 0.24 -1.04 -0.20 0.20 0.00 0.00 0.00 175.76 174.96 1pwp s GLY 512 N -2.96 1.09 -0.09 0.00 0.00 0.77 -4.32 107.32 101.80 1pwp s GLY 512 Ca 0.12 -1.04 -0.11 0.00 0.00 0.00 0.00 44.72 43.69 1pwp s GLY 512 CO 0.05 -0.97 0.27 -0.47 0.00 0.00 0.00 173.10 171.98 1pwp s TYR 513 N -0.81 3.61 0.06 1.90 5.04 -1.26 -0.96 117.35 124.93 1pwp s TYR 513 Ca 0.07 0.70 0.07 0.00 -2.44 0.00 0.00 57.07 55.47 1pwp s TYR 513 Cb -0.09 -2.15 -0.04 0.00 0.35 0.00 0.00 41.96 40.03 1pwp s TYR 513 CO 0.02 0.59 -0.15 -0.51 -1.34 0.00 0.00 175.55 174.15 1pwp s LEU 514 N -0.69 2.77 0.29 6.97 1.43 -0.63 -4.96 118.68 123.85 1pwp s LEU 514 Ca 0.18 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1pwp s LEU 514 Cb -0.14 -1.61 0.42 0.00 0.03 0.00 0.00 46.19 44.89 1pwp s LEU 514 CO 0.07 0.23 1.95 -0.33 0.23 0.00 0.00 176.35 178.50 1pwp h GLU 515 N 4.20 1.13 -0.37 1.70 4.39 -1.99 -2.96 114.58 120.68 1pwp h GLU 515 Ca -0.48 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.15 1pwp h GLU 515 Cb 1.16 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1pwp h GLU 515 CO 0.49 0.75 0.00 0.27 -1.16 0.00 0.00 179.01 179.35 1pwp n ASN 516 N -4.42 0.37 0.00 1.42 6.94 -1.26 -4.78 115.26 113.53 1pwp n ASN 516 Ca 0.11 -1.25 0.00 0.00 -0.02 0.00 0.00 54.58 53.42 1pwp n ASN 516 Cb 0.06 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.29 1pwp n ASN 516 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1pwp n GLY 517 N 0.16 0.58 3.43 4.83 0.00 -1.12 -5.01 105.19 108.06 1pwp n GLY 517 Ca 0.00 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 1pwp n GLY 517 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pwp s LYS 518 N -2.27 1.57 -0.03 1.61 1.02 -1.25 -1.49 119.74 118.90 1pwp s LYS 518 Ca 0.00 -1.69 0.06 0.00 0.02 0.00 0.00 55.97 54.36 1pwp s LYS 518 Cb 0.00 -1.63 -0.01 0.00 -0.52 0.00 0.00 37.83 35.66 1pwp s LYS 518 CO 0.00 0.31 -0.22 -0.51 -0.92 0.00 0.00 175.35 174.00 1pwp s LEU 519 N -3.34 2.03 -0.29 3.17 1.43 0.07 -1.61 118.68 120.14 1pwp s LEU 519 Ca 0.27 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 52.84 1pwp s LEU 519 Cb -0.05 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.96 1pwp s LEU 519 CO 0.12 0.26 0.16 -0.63 0.23 0.00 0.00 176.35 176.49 1pwp s ILE 520 N -0.39 4.91 0.42 -0.59 1.01 -0.14 -1.63 121.20 124.80 1pwp s ILE 520 Ca 0.05 -0.09 -0.07 0.00 0.00 0.00 0.00 60.65 60.53 1pwp s ILE 520 Cb -0.10 -3.39 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 1pwp s ILE 520 CO 0.00 0.20 0.75 -0.76 0.00 0.00 0.00 174.94 175.13 1pwp s LEU 521 N 1.69 3.77 0.46 2.97 1.43 -0.03 -0.17 118.68 128.81 1pwp s LEU 521 Ca 0.06 0.98 -0.22 0.00 -1.03 0.00 0.00 54.13 53.92 1pwp s LEU 521 Cb -0.16 -3.89 -0.08 0.00 0.03 0.00 0.00 46.19 42.09 1pwp s LEU 521 CO 0.08 -0.45 1.10 0.00 0.23 0.00 0.00 176.35 177.31 1pwp s GLN 522 N -4.21 3.82 0.96 1.70 1.03 -1.13 -3.87 119.66 117.96 1pwp s GLN 522 Ca 0.48 1.58 -0.12 0.00 0.04 0.00 0.00 55.36 57.34 1pwp s GLN 522 Cb -0.10 -2.31 0.16 0.00 0.03 0.00 0.00 33.01 30.79 1pwp s GLN 522 CO 0.37 -0.45 1.09 -0.98 -2.54 0.00 0.00 175.29 172.78 1pwp s ARG 523 N -2.86 0.76 -0.97 9.60 1.70 -1.26 -4.40 118.95 121.53 1pwp s ARG 523 Ca 0.64 0.77 -0.05 0.00 -0.47 0.00 0.00 55.73 56.61 1pwp s ARG 523 Cb -0.23 -1.76 -0.06 0.00 -0.57 0.00 0.00 34.95 32.33 1pwp s ARG 523 CO 0.28 -2.57 0.85 0.09 -1.08 0.00 0.00 175.30 172.87 1pwp n ASN 524 N -4.10 -6.24 -4.87 -2.89 5.03 0.16 -4.99 115.26 97.36 1pwp n ASN 524 Ca 0.06 -0.65 -0.23 0.00 0.87 0.00 0.00 54.58 54.63 1pwp n ASN 524 Cb 0.56 -4.85 -0.04 0.00 -1.02 0.00 0.00 39.78 34.43 1pwp n ASN 524 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1pwp s ILE 525 N -3.36 4.77 -0.06 2.41 1.01 -0.86 -4.54 121.20 120.57 1pwp s ILE 525 Ca 0.42 -1.15 0.04 0.00 0.00 0.00 0.00 60.65 59.95 1pwp s ILE 525 Cb -0.05 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 1pwp s ILE 525 CO 0.68 -0.27 -0.16 -0.83 0.00 0.00 0.00 174.94 174.36 1pwp s GLY 526 N -3.68 1.49 -0.06 6.18 0.00 -0.84 -2.72 107.32 107.69 1pwp s GLY 526 Ca 0.33 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 44.06 1pwp s GLY 526 CO 0.26 -0.71 -0.03 1.08 0.00 0.00 0.00 173.10 173.70 1pwp s LEU 527 N -0.55 1.04 -0.23 0.66 1.43 -0.50 -0.28 118.68 120.24 1pwp s LEU 527 Ca 0.08 -0.13 -0.09 0.00 -1.03 0.00 0.00 54.13 52.95 1pwp s LEU 527 Cb -0.11 -0.50 -0.05 0.00 0.03 0.00 0.00 46.19 45.56 1pwp s LEU 527 CO 0.01 -0.11 0.13 -1.61 0.23 0.00 0.00 176.35 175.00 1pwp s GLU 528 N 1.40 3.99 -0.07 1.70 2.02 -0.32 -0.78 118.70 126.64 1pwp s GLU 528 Ca -0.03 -0.32 -0.30 0.00 0.02 0.00 0.00 54.97 54.34 1pwp s GLU 528 Cb -0.13 -3.45 -0.02 0.00 0.10 0.00 0.00 34.13 30.62 1pwp s GLU 528 CO -0.03 0.06 1.08 0.42 0.02 0.00 0.00 175.26 176.81 1pwp s ILE 529 N 1.04 4.56 -0.12 -1.63 -1.09 0.76 -1.45 121.20 123.27 1pwp s ILE 529 Ca 0.06 1.85 0.16 0.00 -2.23 0.00 0.00 60.65 60.49 1pwp s ILE 529 Cb -0.14 -4.19 -0.23 0.00 -1.58 0.00 0.00 42.46 36.33 1pwp s ILE 529 CO 0.04 0.03 0.17 0.29 -1.23 0.00 0.00 174.94 174.23 1pwp n LYS 530 N 4.89 1.05 -3.62 2.79 4.76 0.12 -4.87 118.16 123.28 1pwp n LYS 530 Ca 0.09 -0.06 -0.11 0.00 -2.87 0.00 0.00 58.31 55.36 1pwp n LYS 530 Cb 0.48 -1.42 -0.07 0.00 -1.84 0.00 0.00 35.03 32.18 1pwp n LYS 530 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1pwp s ASP 531 N -4.69 -0.54 -0.11 4.39 3.68 -0.99 -4.97 116.67 113.45 1pwp s ASP 531 Ca -0.08 0.97 -0.02 0.00 2.13 0.00 0.00 52.55 55.55 1pwp s ASP 531 Cb 0.07 0.95 0.04 0.00 -1.45 0.00 0.00 42.92 42.53 1pwp s ASP 531 CO 0.69 -0.24 0.03 -0.69 0.13 0.00 0.00 175.17 175.09 1pwp s VAL 532 N -0.01 0.30 0.07 1.11 1.01 -1.26 -0.84 120.40 120.78 1pwp s VAL 532 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.87 1pwp s VAL 532 Cb -0.04 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.74 1pwp s VAL 532 CO -0.02 0.09 0.19 0.00 0.00 0.00 0.00 175.10 175.36 1pwp s GLN 533 N 1.99 0.79 -0.12 2.72 -2.07 -0.96 -5.01 119.66 117.00 1pwp s GLN 533 Ca 0.03 -0.83 -0.25 0.00 -1.82 0.00 0.00 55.36 52.50 1pwp s GLN 533 Cb -0.14 0.32 -0.02 0.00 -1.09 0.00 0.00 33.01 32.08 1pwp s GLN 533 CO -0.06 -0.24 0.79 0.42 -1.32 0.00 0.00 175.29 174.87 1pwp s ILE 534 N -3.36 4.95 0.20 3.63 1.01 -1.26 -1.10 121.20 125.27 1pwp s ILE 534 Ca 0.01 1.57 0.07 0.00 0.00 0.00 0.00 60.65 62.30 1pwp s ILE 534 Cb 0.03 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 1pwp s ILE 534 CO -0.08 0.12 -0.13 0.27 0.00 0.00 0.00 174.94 175.12 1pwp s ILE 535 N 1.56 1.61 -0.09 2.92 -4.36 -0.05 -4.35 121.20 118.44 1pwp s ILE 535 Ca 0.39 -2.18 0.02 0.00 -0.26 0.00 0.00 60.65 58.62 1pwp s ILE 535 Cb -0.17 -2.04 -0.02 0.00 1.25 0.00 0.00 42.46 41.48 1pwp s ILE 535 CO 0.16 -0.60 -0.14 -0.75 0.24 0.00 0.00 174.94 173.85 1pwp s LYS 536 N -3.67 2.97 -0.11 0.37 2.20 -1.26 -0.83 119.74 119.40 1pwp s LYS 536 Ca 0.22 -0.69 -0.10 0.00 -0.36 0.00 0.00 55.97 55.04 1pwp s LYS 536 Cb 0.00 -2.51 0.03 0.00 -1.51 0.00 0.00 37.83 33.85 1pwp s LYS 536 CO 0.06 0.41 0.29 -1.14 -0.36 0.00 0.00 175.35 174.61 1pwp s GLN 537 N -0.16 0.33 -1.65 4.03 0.74 0.89 -4.71 119.66 119.13 1pwp s GLN 537 Ca -0.01 0.42 -0.10 0.00 0.05 0.00 0.00 55.36 55.73 1pwp s GLN 537 Cb -0.13 0.14 0.09 0.00 1.10 0.00 0.00 33.01 34.21 1pwp s GLN 537 CO 0.03 -0.05 0.34 0.43 -0.55 0.00 0.00 175.29 175.49 1pwp n SER 538 N 3.03 -0.59 -0.29 6.67 7.64 -1.26 -0.51 113.62 128.31 1pwp n SER 538 Ca -0.14 -1.20 -0.04 0.00 1.01 0.00 0.00 58.87 58.50 1pwp n SER 538 Cb 0.58 -1.95 -0.02 0.00 -1.01 0.00 0.00 64.21 61.81 1pwp n SER 538 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1pwp n GLU 539 N -4.38 -0.34 -3.87 1.43 1.02 -1.26 -5.02 120.64 108.22 1pwp n GLU 539 Ca -0.14 0.57 -0.09 0.00 -0.02 0.00 0.00 57.16 57.47 1pwp n GLU 539 Cb 0.60 -4.20 -0.07 0.00 -0.02 0.00 0.00 31.44 27.75 1pwp n GLU 539 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1pwp s LYS 540 N -2.05 0.96 -0.15 3.49 2.20 0.33 -4.96 119.74 119.56 1pwp s LYS 540 Ca 0.00 -1.00 -0.07 0.00 -0.36 0.00 0.00 55.97 54.54 1pwp s LYS 540 Cb 0.00 0.37 -0.04 0.00 -1.51 0.00 0.00 37.83 36.64 1pwp s LYS 540 CO 0.00 -0.33 0.11 -1.21 -0.36 0.00 0.00 175.35 173.56 1pwp s GLU 541 N -3.89 3.67 0.20 4.03 2.02 -0.41 -0.08 118.70 124.24 1pwp s GLU 541 Ca 0.08 -0.23 0.02 0.00 0.02 0.00 0.00 54.97 54.87 1pwp s GLU 541 Cb 0.04 -3.20 -0.05 0.00 0.10 0.00 0.00 34.13 31.02 1pwp s GLU 541 CO -0.08 0.56 0.02 0.71 0.02 0.00 0.00 175.26 176.49 1pwp s TYR 542 N -0.41 1.35 -0.37 1.61 1.51 -0.01 -4.76 117.35 116.27 1pwp s TYR 542 Ca 0.11 -1.03 -0.12 0.00 -1.01 0.00 0.00 57.07 55.02 1pwp s TYR 542 Cb -0.12 -0.77 0.02 0.00 -0.11 0.00 0.00 41.96 40.98 1pwp s TYR 542 CO 0.02 -0.20 0.22 0.42 -1.11 0.00 0.00 175.55 174.90 1pwp s ILE 543 N -3.62 4.79 -0.09 2.71 1.01 -0.08 -0.87 121.20 125.05 1pwp s ILE 543 Ca 0.27 -0.70 -0.24 0.00 0.00 0.00 0.00 60.65 59.99 1pwp s ILE 543 Cb 0.06 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 1pwp s ILE 543 CO 0.07 -0.19 0.74 -0.60 0.00 0.00 0.00 174.94 174.96 1pwp s ARG 544 N 1.61 4.40 -0.22 2.79 6.06 -0.26 -0.38 118.95 132.95 1pwp s ARG 544 Ca 0.03 0.92 0.01 0.00 -2.50 0.00 0.00 55.73 54.20 1pwp s ARG 544 Cb -0.19 -3.48 0.03 0.00 0.06 0.00 0.00 34.95 31.37 1pwp s ARG 544 CO 0.08 -0.05 -0.14 0.42 -2.50 0.00 0.00 175.30 173.11 1pwp s ILE 545 N 1.17 2.29 -0.30 4.11 1.01 -0.72 -2.26 121.20 126.51 1pwp s ILE 545 Ca 0.38 -1.15 -0.16 0.00 0.00 0.00 0.00 60.65 59.73 1pwp s ILE 545 Cb -0.18 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 1pwp s ILE 545 CO 0.17 0.30 0.41 -1.81 0.00 0.00 0.00 174.94 174.01 1pwp s ASP 546 N 1.25 6.26 0.05 3.58 1.01 -0.02 -0.96 116.67 127.85 1pwp s ASP 546 Ca 0.00 0.12 0.05 0.00 0.71 0.00 0.00 52.55 53.43 1pwp s ASP 546 Cb -0.16 -2.22 -0.02 0.00 1.01 0.00 0.00 42.92 41.52 1pwp s ASP 546 CO -0.09 -0.29 -0.14 0.00 0.21 0.00 0.00 175.17 174.87 1pwp s ALA 547 N 2.14 1.16 -0.12 5.23 0.00 -0.50 0.11 121.76 129.78 1pwp s ALA 547 Ca 0.15 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1pwp s ALA 547 Cb -0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1pwp s ALA 547 CO 0.11 0.19 -0.19 0.21 0.00 0.00 0.00 175.76 176.08 1pwp s LYS 548 N -1.38 3.18 0.24 0.00 2.20 -0.53 -0.22 119.74 123.24 1pwp s LYS 548 Ca -0.00 -0.80 -0.30 0.00 -0.36 0.00 0.00 55.97 54.51 1pwp s LYS 548 Cb -0.09 -2.45 -0.09 0.00 -1.51 0.00 0.00 37.83 33.70 1pwp s LYS 548 CO 0.02 0.18 1.21 0.08 -0.36 0.00 0.00 175.35 176.47 1pwp s VAL 549 N 0.39 3.32 0.25 4.02 1.01 -0.81 -1.18 120.40 127.41 1pwp s VAL 549 Ca -0.15 1.21 -0.02 0.00 0.00 0.00 0.00 61.98 63.02 1pwp s VAL 549 Cb -0.17 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1pwp s VAL 549 CO 0.07 0.24 0.27 0.68 0.00 0.00 0.00 175.10 176.36 1pwp s VAL 550 N -0.58 0.00 0.13 2.92 -7.23 0.61 -4.60 120.40 111.65 1pwp s VAL 550 Ca 0.50 -1.83 -0.31 0.00 -1.81 0.00 0.00 61.98 58.53 1pwp s VAL 550 Cb -0.34 -2.46 -0.09 0.00 0.56 0.00 0.00 36.38 34.05 1pwp s VAL 550 CO 0.41 0.00 1.48 -2.84 -0.31 0.00 0.00 175.10 173.85 1pwp s PRO 551 N -3.86 4.27 0.47 4.82 0.02 -1.26 -1.98 135.00 137.48 1pwp s PRO 551 Ca 0.35 2.22 0.21 0.00 0.02 0.00 0.00 61.00 63.80 1pwp s PRO 551 Cb 0.04 -3.22 1.23 0.00 0.02 0.00 0.00 34.50 32.56 1pwp s PRO 551 CO 0.15 -0.53 1.93 -0.22 -0.33 0.00 0.00 177.00 178.00 1pwp h LYS 552 N 6.87 0.22 -0.03 5.54 3.64 -1.83 0.14 116.57 131.12 1pwp h LYS 552 Ca -0.42 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1pwp h LYS 552 Cb 1.21 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1pwp h LYS 552 CO 0.89 0.14 -0.00 0.66 -2.27 0.00 0.00 179.45 178.87 1pwp h SER 553 N 0.22 0.03 -0.57 4.20 4.64 -1.94 -0.89 113.55 119.24 1pwp h SER 553 Ca 0.35 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.59 1pwp h SER 553 Cb 1.07 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 1pwp h SER 553 CO -0.07 0.04 0.04 0.50 -0.87 0.00 0.00 176.83 176.47 1pwp h LYS 554 N 0.03 0.99 -0.18 4.77 3.64 -1.09 -1.71 116.57 123.03 1pwp h LYS 554 Ca 0.01 -0.29 -0.19 0.00 -1.27 0.00 0.00 60.65 58.90 1pwp h LYS 554 Cb 0.03 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1pwp h LYS 554 CO 0.00 0.97 -0.63 0.82 -2.27 0.00 0.00 179.45 178.34 1pwp h ILE 555 N 0.88 1.30 -0.71 2.00 5.03 -1.33 -3.02 117.51 121.66 1pwp h ILE 555 Ca 0.17 -1.85 0.04 0.00 -0.12 0.00 0.00 64.86 63.09 1pwp h ILE 555 Cb 0.49 1.94 -0.05 0.00 -3.03 0.00 0.00 36.82 36.18 1pwp h ILE 555 CO 0.02 0.58 0.44 0.44 -0.68 0.00 0.00 178.15 178.95 1pwp h ASP 556 N 0.45 0.71 -0.59 1.72 3.45 -1.14 -2.06 116.42 118.96 1pwp h ASP 556 Ca -0.03 0.01 0.08 0.00 0.43 0.00 0.00 57.03 57.51 1pwp h ASP 556 Cb 1.26 -0.14 -0.06 0.00 -0.56 0.00 0.00 39.33 39.82 1pwp h ASP 556 CO 0.13 0.48 0.26 0.74 -1.57 0.00 0.00 179.24 179.28 1pwp h THR 557 N 0.84 0.85 -0.19 0.35 2.02 -1.28 0.50 112.91 116.00 1pwp h THR 557 Ca 0.29 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 67.33 1pwp h THR 557 Cb 0.06 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 1pwp h THR 557 CO -0.13 0.09 0.04 0.11 0.37 0.00 0.00 175.52 176.00 1pwp h LYS 558 N 0.48 0.12 -0.21 6.66 1.57 -1.26 -0.68 116.57 123.24 1pwp h LYS 558 Ca 0.29 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.09 1pwp h LYS 558 Cb 0.29 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1pwp h LYS 558 CO -0.25 0.08 0.04 0.82 -0.57 0.00 0.00 179.45 179.57 1pwp h ILE 559 N 0.12 0.90 -0.67 1.86 2.04 -0.89 -0.45 117.51 120.43 1pwp h ILE 559 Ca 0.09 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 65.95 1pwp h ILE 559 Cb 0.08 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 1pwp h ILE 559 CO -0.11 0.02 0.39 1.56 0.00 0.00 0.00 178.15 180.01 1pwp h GLN 560 N 0.13 0.72 0.00 2.37 4.20 -0.63 0.90 115.11 122.80 1pwp h GLN 560 Ca 0.10 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1pwp h GLN 560 Cb 0.09 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1pwp h GLN 560 CO -0.13 0.48 -0.23 0.93 -0.67 0.00 0.00 178.83 179.21 1pwp h GLU 561 N 0.74 0.00 0.14 1.46 5.08 -0.81 -1.97 114.58 119.23 1pwp h GLU 561 Ca 0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1pwp h GLU 561 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1pwp h GLU 561 CO -0.15 0.23 -0.07 0.00 -1.00 0.00 0.00 179.01 178.03 1pwp h ALA 562 N 1.77 -0.19 -0.96 3.43 0.00 0.64 -1.47 119.26 122.48 1pwp h ALA 562 Ca -0.00 -0.23 0.19 0.00 0.00 0.00 0.00 54.91 54.87 1pwp h ALA 562 Cb 0.63 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.39 1pwp h ALA 562 CO 0.03 -0.35 0.55 0.37 0.00 0.00 0.00 179.25 179.85 1pwp h GLN 563 N -0.72 0.65 -0.21 0.00 4.15 -0.62 0.35 115.11 118.72 1pwp h GLN 563 Ca -0.02 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.33 1pwp h GLN 563 Cb 0.52 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1pwp h GLN 563 CO 0.03 0.43 0.00 -0.07 -1.93 0.00 0.00 178.83 177.30 1pwp h LEU 564 N 0.67 0.36 0.45 -2.39 3.38 -1.32 -2.06 115.31 114.42 1pwp h LEU 564 Ca 0.56 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1pwp h LEU 564 Cb 0.91 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1pwp h LEU 564 CO -0.41 0.58 -0.22 -1.13 0.09 0.00 0.00 178.44 177.36 1pwp h ASN 565 N 0.13 -0.52 -0.56 -0.43 -0.73 0.09 -1.35 115.58 112.23 1pwp h ASN 565 Ca 0.06 -0.03 0.07 0.00 1.87 0.00 0.00 56.30 58.28 1pwp h ASN 565 Cb 0.40 0.13 -0.03 0.00 0.27 0.00 0.00 38.32 39.09 1pwp h ASN 565 CO 0.01 -0.30 0.37 -0.29 -0.37 0.00 0.00 177.43 176.85 1pwp h ILE 566 N -0.70 0.95 0.08 2.57 2.10 -0.43 -1.58 117.51 120.51 1pwp h ILE 566 Ca -0.06 -0.16 -0.27 0.00 1.08 0.00 0.00 64.86 65.45 1pwp h ILE 566 Cb 0.51 0.45 0.01 0.00 -1.09 0.00 0.00 36.82 36.71 1pwp h ILE 566 CO 0.10 0.08 -1.15 0.78 -1.08 0.00 0.00 178.15 176.89 1pwp h ASN 567 N 0.46 0.63 0.35 2.19 4.21 -1.27 -2.50 115.58 119.65 1pwp h ASN 567 Ca 0.25 -0.58 -0.00 0.00 1.21 0.00 0.00 56.30 57.18 1pwp h ASN 567 Cb 0.37 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 37.35 1pwp h ASN 567 CO -0.07 1.41 -0.35 1.56 -1.29 0.00 0.00 177.43 178.69 1pwp h GLN 568 N 0.20 -0.70 -0.30 0.81 4.20 -0.46 -0.08 115.11 118.77 1pwp h GLN 568 Ca -0.14 0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.69 1pwp h GLN 568 Cb 1.82 0.16 -0.07 0.00 0.30 0.00 0.00 27.48 29.69 1pwp h GLN 568 CO 0.20 -0.47 -0.14 1.49 -0.67 0.00 0.00 178.83 179.25 1pwp h GLU 569 N -0.73 -0.09 0.00 1.46 4.81 -1.39 -2.63 114.58 116.01 1pwp h GLU 569 Ca -0.02 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1pwp h GLU 569 Cb 0.66 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1pwp h GLU 569 CO -0.06 -0.06 0.00 0.91 -0.73 0.00 0.00 179.01 179.06 1pwp n TRP 570 N -5.32 0.95 0.19 0.92 7.02 -0.94 -2.55 117.44 117.72 1pwp n TRP 570 Ca 0.00 0.30 0.09 0.00 -1.02 0.00 0.00 57.50 56.87 1pwp n TRP 570 Cb 0.23 -0.98 0.15 0.00 -2.42 0.00 0.00 31.31 28.29 1pwp n TRP 570 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 1pwp h ASN 571 N 0.00 0.00 0.17 -0.99 -0.26 -0.64 -2.56 115.58 111.30 1pwp h ASN 571 Ca 0.00 0.00 -0.27 0.00 -0.56 0.00 0.00 56.30 55.47 1pwp h ASN 571 Cb 0.67 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.95 1pwp h ASN 571 CO 0.00 0.19 -1.25 0.50 -1.06 0.00 0.00 177.43 175.82 1pwp h LYS 572 N 0.00 0.36 0.00 0.81 3.64 -1.33 0.14 116.57 120.19 1pwp h LYS 572 Ca -0.00 -0.62 -0.03 0.00 -1.27 0.00 0.00 60.65 58.74 1pwp h LYS 572 Cb 1.11 0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1pwp h LYS 572 CO 0.03 1.30 -0.13 0.00 -2.27 0.00 0.00 179.45 178.37 1pwp h ALA 573 N 0.07 1.07 -0.00 5.00 0.00 -1.50 -2.95 119.26 120.95 1pwp h ALA 573 Ca -0.24 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1pwp h ALA 573 Cb 1.86 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1pwp h ALA 573 CO 0.16 0.16 -0.52 1.28 0.00 0.00 0.00 179.25 180.33 1pwp n LEU 574 N -3.35 1.07 -1.51 0.00 4.32 -0.97 -4.99 117.00 111.57 1pwp n LEU 574 Ca -0.00 -0.62 -0.11 0.00 -0.02 0.00 0.00 56.01 55.26 1pwp n LEU 574 Cb 0.33 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.15 1pwp n LEU 574 CO 0.30 0.23 -0.01 0.61 -1.22 0.00 0.00 177.39 177.29 1pwp n GLY 575 N 1.24 0.09 3.92 -0.72 0.00 -0.80 -4.93 105.19 103.99 1pwp n GLY 575 Ca 0.04 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 1pwp n GLY 575 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pwp s LEU 576 N -3.37 3.69 0.48 0.99 1.43 0.44 -5.02 118.68 117.32 1pwp s LEU 576 Ca 0.13 0.74 -0.23 0.00 -1.03 0.00 0.00 54.13 53.74 1pwp s LEU 576 Cb -0.06 -3.66 -0.08 0.00 0.03 0.00 0.00 46.19 42.43 1pwp s LEU 576 CO 0.16 -0.56 1.20 -2.65 0.23 0.00 0.00 176.35 174.73 1pwp n PRO 577 N -2.16 1.61 -0.35 1.29 -0.02 -1.26 -4.68 135.00 129.42 1pwp n PRO 577 Ca -0.00 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1pwp n PRO 577 Cb 0.56 -2.35 0.06 0.00 -0.02 0.00 0.00 33.50 31.75 1pwp n PRO 577 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1pwp n LYS 578 N -0.39 -0.19 -1.53 -0.52 4.81 -1.26 -2.64 118.16 116.44 1pwp n LYS 578 Ca 0.09 1.44 -0.34 0.00 -0.87 0.00 0.00 58.31 58.63 1pwp n LYS 578 Cb 0.42 -2.14 0.06 0.00 0.02 0.00 0.00 35.03 33.39 1pwp n LYS 578 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1pwp n TYR 579 N -5.41 3.14 -3.35 5.64 0.53 -1.26 -4.81 117.16 111.65 1pwp n TYR 579 Ca 0.11 -2.83 -0.38 0.00 -1.02 0.00 0.00 57.90 53.78 1pwp n TYR 579 Cb 0.39 -1.24 -0.06 0.00 -1.03 0.00 0.00 39.34 37.41 1pwp n TYR 579 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 1pwp s THR 580 N -4.85 4.83 -1.01 -0.72 -4.23 -1.08 -5.00 115.64 103.58 1pwp s THR 580 Ca 0.61 1.05 -0.19 0.00 -1.18 0.00 0.00 61.69 61.97 1pwp s THR 580 Cb 0.48 -3.82 0.11 0.00 1.34 0.00 0.00 72.50 70.61 1pwp s THR 580 CO -0.06 0.50 1.30 -0.54 -0.54 0.00 0.00 174.62 175.28 1pwp s LYS 581 N -1.26 3.67 -0.04 3.99 1.02 -1.26 -4.80 119.74 121.06 1pwp s LYS 581 Ca 0.29 -1.67 -0.03 0.00 0.02 0.00 0.00 55.97 54.59 1pwp s LYS 581 Cb -0.18 -5.11 -0.01 0.00 -0.52 0.00 0.00 37.83 32.01 1pwp s LYS 581 CO 0.18 -1.94 -0.06 -0.11 -0.92 0.00 0.00 175.35 172.50 1pwp n LEU 582 N 7.30 0.54 -4.77 3.17 0.00 -1.26 -4.86 117.00 117.11 1pwp n LEU 582 Ca 0.30 0.32 -0.39 0.00 0.00 0.00 0.00 56.01 56.24 1pwp n LEU 582 Cb 0.49 -0.60 -0.06 0.00 0.00 0.00 0.00 43.42 43.25 1pwp n LEU 582 CO 0.58 -0.48 0.42 -0.63 0.00 0.00 0.00 177.39 177.28 1pwp s ILE 583 N -1.40 4.58 -0.02 1.96 1.01 -1.26 -1.75 121.20 124.33 1pwp s ILE 583 Ca -0.05 1.54 0.01 0.00 0.00 0.00 0.00 60.65 62.15 1pwp s ILE 583 Cb 0.01 -4.07 0.02 0.00 0.01 0.00 0.00 42.46 38.43 1pwp s ILE 583 CO 0.07 0.48 -0.01 0.28 0.00 0.00 0.00 174.94 175.76 1pwp s THR 584 N -0.78 0.19 -0.42 2.92 -1.32 -0.12 -4.88 115.64 111.23 1pwp s THR 584 Ca 0.35 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.68 1pwp s THR 584 Cb -0.21 -0.24 0.03 0.00 -1.51 0.00 0.00 72.50 70.57 1pwp s THR 584 CO 0.23 0.11 0.31 -0.36 -2.21 0.00 0.00 174.62 172.70 1pwp s PHE 585 N 0.58 3.24 -0.92 9.09 2.99 -1.26 -2.12 117.98 129.58 1pwp s PHE 585 Ca -0.06 -0.66 -0.00 0.00 0.00 0.00 0.00 56.93 56.21 1pwp s PHE 585 Cb -0.09 -2.68 0.30 0.00 0.00 0.00 0.00 43.02 40.56 1pwp s PHE 585 CO -0.01 -0.63 1.36 -1.71 -0.00 0.00 0.00 175.22 174.23 1pwp n ASN 586 N 5.16 5.89 -4.69 1.36 2.85 -0.86 -5.01 115.26 119.96 1pwp n ASN 586 Ca -0.11 -3.52 -0.36 0.00 -0.11 0.00 0.00 54.58 50.48 1pwp n ASN 586 Cb 0.46 -1.05 -0.09 0.00 1.24 0.00 0.00 39.78 40.35 1pwp n ASN 586 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1pwp s VAL 587 N -3.26 5.37 0.00 3.44 1.01 -1.26 -3.45 120.40 122.25 1pwp s VAL 587 Ca 0.37 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1pwp s VAL 587 Cb 0.13 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1pwp s VAL 587 CO 0.00 0.38 0.06 1.41 0.00 0.00 0.00 175.10 176.96 1pwp n HIS 588 N 3.94 0.00 -4.67 5.22 8.25 -1.26 -5.04 115.22 121.67 1pwp n HIS 588 Ca -0.15 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.01 1pwp n HIS 588 Cb 0.52 0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.55 1pwp n HIS 588 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1pwp s ASN 589 N 0.00 3.76 0.62 0.41 0.02 -1.26 -3.84 114.94 114.65 1pwp s ASN 589 Ca 0.00 -1.55 0.16 0.00 -1.02 0.00 0.00 52.86 50.45 1pwp s ASN 589 Cb 0.00 0.21 0.88 0.00 0.02 0.00 0.00 41.25 42.36 1pwp s ASN 589 CO 0.00 -0.73 1.47 0.03 0.02 0.00 0.00 177.10 177.90 1pwp h ARG 590 N 1.58 0.00 -0.63 -0.60 2.47 -1.41 0.33 114.38 116.12 1pwp h ARG 590 Ca -0.43 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.29 1pwp h ARG 590 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.60 1pwp h ARG 590 CO 0.74 0.00 0.00 0.98 0.56 0.00 0.00 179.97 182.25 1pwp n TYR 591 N -2.63 0.84 0.00 3.04 9.36 -1.26 -4.36 117.16 122.15 1pwp n TYR 591 Ca -0.01 -0.49 0.00 0.00 3.32 0.00 0.00 57.90 60.72 1pwp n TYR 591 Cb 0.62 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 39.33 1pwp n TYR 591 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1pwp n ALA 592 N 1.36 0.00 -0.35 2.98 0.00 0.11 -0.32 120.51 124.29 1pwp n ALA 592 Ca 0.21 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.70 1pwp n ALA 592 Cb 0.57 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.24 1pwp n ALA 592 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1pwp h SER 593 N 0.00 0.97 -0.85 0.00 4.64 -1.74 -2.19 113.55 114.39 1pwp h SER 593 Ca 0.00 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1pwp h SER 593 Cb 0.00 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 61.87 1pwp h SER 593 CO 0.00 0.59 0.56 -1.13 -0.87 0.00 0.00 176.83 175.98 1pwp h ASN 594 N 1.08 0.97 -0.94 4.97 -0.73 -0.72 -1.11 115.58 119.10 1pwp h ASN 594 Ca 0.44 -0.03 0.10 0.00 1.87 0.00 0.00 56.30 58.69 1pwp h ASN 594 Cb 0.29 -0.24 -0.08 0.00 0.27 0.00 0.00 38.32 38.55 1pwp h ASN 594 CO -0.20 0.71 0.58 0.40 -0.37 0.00 0.00 177.43 178.55 1pwp h ILE 595 N 1.15 0.95 0.39 2.57 1.08 -1.43 0.80 117.51 123.02 1pwp h ILE 595 Ca 0.31 -0.33 -0.02 0.00 -0.39 0.00 0.00 64.86 64.43 1pwp h ILE 595 Cb -0.13 -0.09 0.00 0.00 -3.07 0.00 0.00 36.82 33.54 1pwp h ILE 595 CO -0.07 0.17 -0.19 0.58 -0.69 0.00 0.00 178.15 177.96 1pwp h VAL 596 N 0.96 0.21 0.00 1.67 2.07 -1.37 -3.02 116.25 116.77 1pwp h VAL 596 Ca 0.45 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1pwp h VAL 596 Cb 0.38 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1pwp h VAL 596 CO -0.24 0.05 -0.01 -0.33 0.02 0.00 0.00 177.57 177.06 1pwp h GLU 597 N -1.08 0.00 0.00 1.57 4.39 -1.15 -2.22 114.58 116.10 1pwp h GLU 597 Ca -0.05 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.40 1pwp h GLU 597 Cb 0.48 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1pwp h GLU 597 CO 0.09 0.01 -0.99 1.03 -1.16 0.00 0.00 179.01 177.99 1pwp h SER 598 N 0.00 0.69 -0.45 1.42 0.87 -0.88 -3.31 113.55 111.89 1pwp h SER 598 Ca -0.00 -0.56 0.06 0.00 -1.23 0.00 0.00 61.79 60.07 1pwp h SER 598 Cb 0.08 -0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 61.78 1pwp h SER 598 CO 0.00 1.36 0.14 0.00 -0.53 0.00 0.00 176.83 177.80 1pwp h ALA 599 N 0.60 0.53 -0.33 6.23 0.00 -1.26 -0.01 119.26 125.02 1pwp h ALA 599 Ca -0.10 0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1pwp h ALA 599 Cb 1.64 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 19.40 1pwp h ALA 599 CO 0.18 -0.25 -0.21 1.88 0.00 0.00 0.00 179.25 180.85 1pwp h TYR 600 N 0.31 -0.55 -0.62 0.00 -1.99 -1.65 -0.18 116.97 112.30 1pwp h TYR 600 Ca 0.21 0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.97 1pwp h TYR 600 Cb 0.23 0.29 -0.03 0.00 2.00 0.00 0.00 36.73 39.22 1pwp h TYR 600 CO -0.17 -0.29 0.32 -0.07 -0.00 0.00 0.00 178.16 177.95 1pwp h LEU 601 N -0.17 0.79 -0.23 3.88 3.38 -1.49 -1.87 115.31 119.60 1pwp h LEU 601 Ca 0.17 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1pwp h LEU 601 Cb 0.43 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1pwp h LEU 601 CO -0.43 0.67 0.13 0.40 0.09 0.00 0.00 178.44 179.31 1pwp h ILE 602 N 0.84 1.09 0.00 1.22 2.04 -0.39 -2.31 117.51 120.01 1pwp h ILE 602 Ca 0.21 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1pwp h ILE 602 Cb 0.08 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1pwp h ILE 602 CO -0.03 0.09 -0.11 -0.07 0.00 0.00 0.00 178.15 178.03 1pwp h LEU 603 N 0.28 0.00 -0.09 1.44 3.38 -0.85 -1.37 115.31 118.10 1pwp h LEU 603 Ca 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1pwp h LEU 603 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1pwp h LEU 603 CO -0.01 0.11 -0.13 0.78 0.09 0.00 0.00 178.44 179.28 1pwp h ASN 604 N 0.00 0.27 0.18 -0.43 2.35 -0.84 -2.39 115.58 114.73 1pwp h ASN 604 Ca -0.00 -0.52 -0.02 0.00 -0.55 0.00 0.00 56.30 55.21 1pwp h ASN 604 Cb 0.29 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 1pwp h ASN 604 CO 0.01 0.74 -0.07 -0.33 -1.65 0.00 0.00 177.43 176.13 1pwp h GLU 605 N -0.19 0.00 0.00 0.81 4.39 -0.97 -1.83 114.58 116.79 1pwp h GLU 605 Ca 0.01 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 1pwp h GLU 605 Cb 0.68 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1pwp h GLU 605 CO 0.03 0.07 -0.49 2.35 -1.16 0.00 0.00 179.01 179.81 1pwp h TRP 606 N 0.00 0.00 0.00 4.33 7.01 -0.96 -3.13 115.95 123.20 1pwp h TRP 606 Ca -0.00 0.00 -0.30 0.00 2.11 0.00 0.00 58.89 60.70 1pwp h TRP 606 Cb 0.19 0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 27.19 1pwp h TRP 606 CO 0.00 0.49 -1.98 1.17 -2.79 0.00 0.00 178.44 175.33 1pwp n LYS 607 N -3.44 0.66 -0.01 2.65 4.81 -0.82 -3.80 118.16 118.21 1pwp n LYS 607 Ca 0.00 0.13 0.14 0.00 -0.87 0.00 0.00 58.31 57.71 1pwp n LYS 607 Cb 0.63 -1.66 0.70 0.00 0.02 0.00 0.00 35.03 34.72 1pwp n LYS 607 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1pwp n ASN 608 N -2.86 0.57 0.00 3.14 5.03 -0.75 -3.74 115.26 116.65 1pwp n ASN 608 Ca -0.22 -1.28 0.00 0.00 0.87 0.00 0.00 54.58 53.94 1pwp n ASN 608 Cb 1.05 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 39.80 1pwp n ASN 608 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1pwp n ASN 609 N -0.51 0.12 -4.18 6.41 4.13 -1.18 -5.04 115.26 115.01 1pwp n ASN 609 Ca 0.20 -0.52 -0.20 0.00 1.68 0.00 0.00 54.58 55.74 1pwp n ASN 609 Cb 0.19 0.77 -0.13 0.00 -1.54 0.00 0.00 39.78 39.08 1pwp n ASN 609 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1pwp s ILE 610 N -0.77 1.22 0.06 2.41 1.01 -1.25 -4.75 121.20 119.13 1pwp s ILE 610 Ca 0.00 -1.19 -0.30 0.00 0.00 0.00 0.00 60.65 59.16 1pwp s ILE 610 Cb 0.00 -1.12 -0.09 0.00 0.01 0.00 0.00 42.46 41.25 1pwp s ILE 610 CO 0.00 -0.07 1.93 -1.10 0.00 0.00 0.00 174.94 175.70 1pwp s GLN 611 N -1.44 4.14 0.42 2.79 1.11 -1.26 -4.82 119.66 120.59 1pwp s GLN 611 Ca 0.01 2.61 0.21 0.00 0.01 0.00 0.00 55.36 58.21 1pwp s GLN 611 Cb -0.09 -4.01 1.18 0.00 -1.01 0.00 0.00 33.01 29.08 1pwp s GLN 611 CO 0.02 -0.93 1.78 0.77 0.01 0.00 0.00 175.29 176.94 1pwp h SER 612 N 10.07 0.37 0.77 5.90 0.02 -1.97 0.27 113.55 128.96 1pwp h SER 612 Ca -0.49 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.44 1pwp h SER 612 Cb 1.23 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1pwp h SER 612 CO 0.94 0.07 -0.43 0.44 -1.14 0.00 0.00 176.83 176.71 1pwp h ASP 613 N 0.32 0.00 -0.01 3.07 3.32 -1.99 -2.27 116.42 118.87 1pwp h ASP 613 Ca 0.59 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.49 1pwp h ASP 613 Cb 1.62 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.18 1pwp h ASP 613 CO -0.25 0.43 -0.55 0.25 -1.72 0.00 0.00 179.24 177.41 1pwp h LEU 614 N 0.00 0.50 0.31 1.55 5.85 -0.86 -2.82 115.31 119.84 1pwp h LEU 614 Ca -0.00 -0.75 -0.01 0.00 0.84 0.00 0.00 57.88 57.96 1pwp h LEU 614 Cb 0.93 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1pwp h LEU 614 CO 0.06 1.18 -0.34 0.40 -0.34 0.00 0.00 178.44 179.39 1pwp h ILE 615 N -0.14 0.00 -0.64 4.05 2.04 -1.32 -1.41 117.51 120.10 1pwp h ILE 615 Ca -0.07 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.93 1pwp h ILE 615 Cb 1.26 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.22 1pwp h ILE 615 CO 0.11 0.00 -0.12 0.11 0.00 0.00 0.00 178.15 178.25 1pwp h LYS 616 N -0.66 0.03 -0.62 2.37 1.57 -1.51 0.50 116.57 118.24 1pwp h LYS 616 Ca -0.04 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1pwp h LYS 616 Cb 0.58 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 1pwp h LYS 616 CO -0.06 0.02 0.29 0.87 -0.57 0.00 0.00 179.45 180.00 1pwp h LYS 617 N 0.03 0.89 -0.24 3.15 1.79 -1.42 -0.59 116.57 120.17 1pwp h LYS 617 Ca 0.32 -0.13 -0.13 0.00 -2.18 0.00 0.00 60.65 58.53 1pwp h LYS 617 Cb 0.50 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1pwp h LYS 617 CO -0.63 0.72 -0.34 0.28 -1.08 0.00 0.00 179.45 178.39 1pwp h VAL 618 N 0.84 1.31 0.00 0.50 2.07 0.00 -2.56 116.25 118.42 1pwp h VAL 618 Ca 0.21 -1.54 -0.09 0.00 0.82 0.00 0.00 66.70 66.10 1pwp h VAL 618 Cb 0.12 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1pwp h VAL 618 CO -0.03 0.48 -0.42 0.71 0.02 0.00 0.00 177.57 178.34 1pwp h THR 619 N 0.37 0.93 -0.53 2.57 1.35 0.01 -1.47 112.91 116.13 1pwp h THR 619 Ca 0.02 -1.68 -0.10 0.00 -0.55 0.00 0.00 66.41 64.10 1pwp h THR 619 Cb 0.93 2.02 -0.02 0.00 -1.73 0.00 0.00 68.15 69.35 1pwp h THR 619 CO 0.08 0.41 -0.07 0.78 -0.25 0.00 0.00 175.52 176.47 1pwp h ASN 620 N 0.00 0.94 -0.02 5.36 2.35 -1.08 0.16 115.58 123.28 1pwp h ASN 620 Ca -0.00 -0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 55.46 1pwp h ASN 620 Cb 0.99 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 39.10 1pwp h ASN 620 CO 0.05 1.04 0.01 0.22 -1.65 0.00 0.00 177.43 177.11 1pwp h TYR 621 N 0.86 0.03 0.24 1.19 3.20 -1.02 -0.00 116.97 121.46 1pwp h TYR 621 Ca 0.14 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1pwp h TYR 621 Cb 0.60 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 1pwp h TYR 621 CO 0.04 0.08 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.34 1pwp h LEU 622 N -0.02 -0.60 -1.39 2.82 3.38 -0.91 -2.14 115.31 116.46 1pwp h LEU 622 Ca 0.01 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.14 1pwp h LEU 622 Cb 0.06 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 1pwp h LEU 622 CO -0.00 -0.33 0.52 0.58 0.09 0.00 0.00 178.44 179.29 1pwp h VAL 623 N -0.49 0.91 -0.10 1.22 2.07 -0.59 0.18 116.25 119.45 1pwp h VAL 623 Ca -0.01 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1pwp h VAL 623 Cb 0.45 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1pwp h VAL 623 CO -0.04 0.12 0.07 -0.78 0.02 0.00 0.00 177.57 176.96 1pwp h ASP 624 N 0.66 0.11 -0.65 0.57 3.58 -0.31 -1.38 116.42 119.01 1pwp h ASP 624 Ca 0.37 -0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.60 1pwp h ASP 624 Cb 0.55 -0.03 -0.13 0.00 1.72 0.00 0.00 39.33 41.44 1pwp h ASP 624 CO -0.14 0.08 0.23 0.61 -2.88 0.00 0.00 179.24 177.14 1pwp n GLY 625 N -1.53 4.03 2.40 -0.78 0.00 -0.30 -4.91 105.19 104.10 1pwp n GLY 625 Ca -0.01 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.80 1pwp n GLY 625 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pwp n ASN 626 N -0.50 -4.77 -4.46 1.61 4.13 -0.52 -4.67 115.26 106.09 1pwp n ASN 626 Ca 0.40 0.27 -0.32 0.00 1.68 0.00 0.00 54.58 56.61 1pwp n ASN 626 Cb 1.31 -3.69 0.16 0.00 -1.54 0.00 0.00 39.78 36.02 1pwp n ASN 626 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pwp n GLY 627 N -1.08 -1.68 3.14 7.41 0.00 0.49 -4.93 105.19 108.53 1pwp n GLY 627 Ca -0.16 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 1pwp n GLY 627 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pwp s ARG 628 N -3.97 0.43 -0.51 1.61 1.81 -1.19 -4.68 118.95 112.45 1pwp s ARG 628 Ca 0.61 -0.05 -0.13 0.00 -1.72 0.00 0.00 55.73 54.44 1pwp s ARG 628 Cb -0.20 0.19 0.13 0.00 -0.45 0.00 0.00 34.95 34.61 1pwp s ARG 628 CO 0.64 -0.09 0.43 -0.06 -0.68 0.00 0.00 175.30 175.54 1pwp s PHE 629 N -0.74 3.34 -0.31 -0.53 2.99 -0.72 -0.18 117.98 121.83 1pwp s PHE 629 Ca -0.08 -1.57 -0.11 0.00 0.00 0.00 0.00 56.93 55.17 1pwp s PHE 629 Cb -0.05 -3.66 -0.02 0.00 0.00 0.00 0.00 43.02 39.30 1pwp s PHE 629 CO 0.02 -1.01 0.18 0.08 -0.00 0.00 0.00 175.22 174.49 1pwp s VAL 630 N 1.48 4.95 -0.23 -0.44 1.01 -0.17 -0.94 120.40 126.07 1pwp s VAL 630 Ca 0.04 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 1pwp s VAL 630 Cb -0.28 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1pwp s VAL 630 CO 0.01 0.10 0.09 -0.36 0.00 0.00 0.00 175.10 174.94 1pwp s PHE 631 N 1.68 3.17 0.21 5.22 0.40 -0.90 -1.32 117.98 126.45 1pwp s PHE 631 Ca 0.06 -0.12 -0.08 0.00 -0.60 0.00 0.00 56.93 56.19 1pwp s PHE 631 Cb -0.17 -2.20 -0.02 0.00 0.51 0.00 0.00 43.02 41.15 1pwp s PHE 631 CO 0.08 -0.11 0.30 -0.08 0.70 0.00 0.00 175.22 176.11 1pwp s THR 632 N 1.12 0.02 0.00 0.64 -1.32 -0.91 -2.02 115.64 113.17 1pwp s THR 632 Ca 0.05 -1.62 0.00 0.00 -1.21 0.00 0.00 61.69 58.91 1pwp s THR 632 Cb -0.14 -2.22 0.00 0.00 -1.51 0.00 0.00 72.50 68.63 1pwp s THR 632 CO 0.04 -0.08 0.63 -0.90 -2.21 0.00 0.00 174.62 172.09 1pwp n ASP 633 N -0.30 1.23 -4.90 8.08 5.68 -1.22 -0.47 116.55 124.65 1pwp n ASP 633 Ca -0.02 -1.32 -0.32 0.00 -0.50 0.00 0.00 54.79 52.64 1pwp n ASP 633 Cb 0.64 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.57 1pwp n ASP 633 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1pwp s ILE 634 N -0.32 5.22 0.27 2.12 -4.36 -1.26 -4.86 121.20 118.01 1pwp s ILE 634 Ca 0.00 -0.02 -0.30 0.00 -0.26 0.00 0.00 60.65 60.07 1pwp s ILE 634 Cb 0.00 -3.62 -0.11 0.00 1.25 0.00 0.00 42.46 39.98 1pwp s ILE 634 CO 0.00 0.10 1.60 0.42 0.24 0.00 0.00 174.94 177.31 1pwp s THR 635 N -1.58 2.13 0.36 8.37 -4.23 -0.97 -4.89 115.64 114.83 1pwp s THR 635 Ca 0.38 0.11 0.19 0.00 -1.18 0.00 0.00 61.69 61.18 1pwp s THR 635 Cb -0.12 -3.07 0.35 0.00 1.34 0.00 0.00 72.50 71.00 1pwp s THR 635 CO 0.24 0.02 1.55 0.18 -0.54 0.00 0.00 174.62 176.07 1pwp n LEU 636 N 2.58 0.29 -0.19 4.79 4.32 -1.26 -0.89 117.00 126.64 1pwp n LEU 636 Ca 0.10 1.64 0.00 0.00 -0.02 0.00 0.00 56.01 57.72 1pwp n LEU 636 Cb 0.37 -0.78 0.00 0.00 -1.62 0.00 0.00 43.42 41.40 1pwp n LEU 636 CO 0.63 -1.82 0.18 -0.81 -1.22 0.00 0.00 177.39 174.36 1pwp n PRO 637 N -5.25 0.45 0.00 3.23 -0.04 -1.23 -1.37 135.00 130.78 1pwp n PRO 637 Ca 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1pwp n PRO 637 Cb 1.21 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 33.59 1pwp n PRO 637 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1pwp n ASN 638 N -0.20 0.93 -4.73 3.54 3.02 -0.07 -4.43 115.26 113.32 1pwp n ASN 638 Ca 0.00 -0.98 -0.39 0.00 -0.03 0.00 0.00 54.58 53.18 1pwp n ASN 638 Cb 0.04 0.03 -0.05 0.00 -0.61 0.00 0.00 39.78 39.19 1pwp n ASN 638 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pwp s ILE 639 N -0.03 5.05 0.26 2.41 1.09 -0.47 -4.96 121.20 124.54 1pwp s ILE 639 Ca 0.00 1.30 -0.04 0.00 -1.10 0.00 0.00 60.65 60.81 1pwp s ILE 639 Cb 0.00 -3.97 0.18 0.00 -1.06 0.00 0.00 42.46 37.61 1pwp s ILE 639 CO 0.00 0.30 1.84 0.00 -0.10 0.00 0.00 174.94 176.98 1pwp h ALA 640 N 6.54 1.20 0.00 9.38 0.00 -1.92 -2.68 119.26 131.77 1pwp h ALA 640 Ca -0.42 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1pwp h ALA 640 Cb 1.19 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1pwp h ALA 640 CO 0.74 0.59 0.44 0.39 0.00 0.00 0.00 179.25 181.41 1pwp n GLU 641 N -4.31 0.02 -0.03 0.00 4.71 -1.26 -1.11 120.64 118.67 1pwp n GLU 641 Ca 0.06 0.32 -0.05 0.00 -0.01 0.00 0.00 57.16 57.49 1pwp n GLU 641 Cb 0.16 -2.01 -0.03 0.00 -1.01 0.00 0.00 31.44 28.55 1pwp n GLU 641 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 1pwp n GLN 642 N -1.50 0.15 0.15 3.49 7.27 -1.02 -4.64 117.38 121.29 1pwp n GLN 642 Ca -0.00 0.04 0.04 0.00 0.07 0.00 0.00 57.00 57.15 1pwp n GLN 642 Cb 0.44 -1.08 0.06 0.00 2.41 0.00 0.00 30.24 32.08 1pwp n GLN 642 CO 0.00 0.00 0.00 0.10 0.07 0.00 0.00 177.06 177.23 1pwp h TYR 643 N -0.03 0.00 0.00 3.69 -0.00 -1.00 -3.09 116.97 116.54 1pwp h TYR 643 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.59 1pwp h TYR 643 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.94 1pwp h TYR 643 CO 0.00 0.43 0.00 0.25 -0.00 0.00 0.00 178.16 178.85 1pwp n THR 644 N -3.22 0.00 -1.87 -0.90 -2.24 -0.82 -2.67 114.28 102.56 1pwp n THR 644 Ca 0.02 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.86 1pwp n THR 644 Cb 0.70 -0.36 0.14 0.00 -2.10 0.00 0.00 70.33 68.71 1pwp n THR 644 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1pwp n HIS 645 N -0.83 0.00 -4.14 4.78 8.25 -1.17 -5.06 115.22 117.06 1pwp n HIS 645 Ca 0.15 -1.10 -0.31 0.00 -0.26 0.00 0.00 57.72 56.20 1pwp n HIS 645 Cb 0.07 -0.21 -0.08 0.00 1.12 0.00 0.00 29.99 30.90 1pwp n HIS 645 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1pwp s GLN 646 N -2.08 2.79 -0.03 -0.41 -0.21 -1.09 -5.04 119.66 113.60 1pwp s GLN 646 Ca 0.35 -0.68 -0.01 0.00 0.02 0.00 0.00 55.36 55.04 1pwp s GLN 646 Cb 0.36 -2.68 -0.01 0.00 1.00 0.00 0.00 33.01 31.68 1pwp s GLN 646 CO -0.09 0.59 0.11 -0.44 -2.12 0.00 0.00 175.29 173.33 1pwp h ASP 647 N 3.72 -0.03 -2.13 5.90 3.32 -1.92 -3.47 116.42 121.80 1pwp h ASP 647 Ca -0.48 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.04 1pwp h ASP 647 Cb 1.17 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 40.65 1pwp h ASP 647 CO 0.62 0.12 -0.58 -1.61 -1.72 0.00 0.00 179.24 176.06 1pwp s GLU 648 N -1.42 2.51 0.09 3.56 0.41 -1.26 -5.04 118.70 117.55 1pwp s GLU 648 Ca -0.01 -1.33 -0.16 0.00 -0.41 0.00 0.00 54.97 53.06 1pwp s GLU 648 Cb 0.00 -2.29 -0.08 0.00 -1.78 0.00 0.00 34.13 29.98 1pwp s GLU 648 CO 0.02 0.32 1.46 0.82 -0.49 0.00 0.00 175.26 177.39 1pwp h ILE 649 N 1.69 1.29 0.00 -1.63 2.04 -1.91 -2.84 117.51 116.15 1pwp h ILE 649 Ca -0.45 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.16 1pwp h ILE 649 Cb 1.25 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1pwp h ILE 649 CO 0.61 0.40 0.00 0.00 0.00 0.00 0.00 178.15 179.16 1pwp n TYR 650 N -4.40 0.00 0.31 1.37 0.18 -1.26 -1.49 117.16 111.86 1pwp n TYR 650 Ca -0.03 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.72 1pwp n TYR 650 Cb 0.38 -0.49 0.10 0.00 -0.38 0.00 0.00 39.34 38.94 1pwp n TYR 650 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1pwp n GLU 651 N -1.49 1.90 -2.76 -3.48 1.02 -1.07 -4.82 120.64 109.94 1pwp n GLU 651 Ca 0.00 -1.04 -0.29 0.00 -0.02 0.00 0.00 57.16 55.81 1pwp n GLU 651 Cb 0.02 -1.59 -0.02 0.00 -0.02 0.00 0.00 31.44 29.83 1pwp n GLU 651 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1pwp s GLN 652 N -1.37 3.70 -0.02 3.49 -2.07 -0.56 -4.95 119.66 117.88 1pwp s GLN 652 Ca 0.19 0.40 0.02 0.00 -1.82 0.00 0.00 55.36 54.15 1pwp s GLN 652 Cb 0.15 -2.38 0.00 0.00 -1.09 0.00 0.00 33.01 29.70 1pwp s GLN 652 CO 0.05 -0.10 -0.07 0.08 -1.32 0.00 0.00 175.29 173.92 1pwp s VAL 653 N -2.51 0.65 -0.06 3.63 1.01 -1.26 -5.07 120.40 116.80 1pwp s VAL 653 Ca 0.50 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.22 1pwp s VAL 653 Cb -0.10 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.70 1pwp s VAL 653 CO 0.36 0.21 -0.10 -2.28 0.00 0.00 0.00 175.10 173.29 1pwp s HIS 654 N 0.25 1.31 0.06 5.22 5.04 -1.26 -3.51 115.29 122.41 1pwp s HIS 654 Ca -0.03 -0.48 -0.12 0.00 -1.54 0.00 0.00 55.06 52.88 1pwp s HIS 654 Cb -0.08 -0.99 0.04 0.00 0.04 0.00 0.00 32.58 31.59 1pwp s HIS 654 CO 0.00 -0.27 0.58 -1.13 -2.34 0.00 0.00 174.74 171.58 1pwp n SER 655 N 3.91 -0.82 -0.30 9.88 3.41 -1.26 -5.03 113.62 123.42 1pwp n SER 655 Ca -0.23 -1.37 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 1pwp n SER 655 Cb 0.51 1.32 0.13 0.00 -0.26 0.00 0.00 64.21 65.92 1pwp n SER 655 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1pwp h LYS 656 N 0.00 0.91 -4.08 4.33 3.11 -1.91 -3.39 116.57 115.54 1pwp h LYS 656 Ca -0.13 -0.05 -0.20 0.00 -2.81 0.00 0.00 60.65 57.46 1pwp h LYS 656 Cb 0.62 -0.21 -0.10 0.00 -1.00 0.00 0.00 32.23 31.55 1pwp h LYS 656 CO 0.18 0.60 -0.27 0.20 -2.81 0.00 0.00 179.45 177.35 1pwp s GLY 657 N -3.14 1.16 -0.25 5.01 0.00 -1.26 -0.68 107.32 108.16 1pwp s GLY 657 Ca -0.13 -1.35 -0.27 0.00 0.00 0.00 0.00 44.72 42.97 1pwp s GLY 657 CO 0.79 -0.97 1.20 -2.27 0.00 0.00 0.00 173.10 171.85 1pwp s LEU 658 N -3.15 -0.23 -0.09 0.66 2.96 -0.32 -4.98 118.68 113.54 1pwp s LEU 658 Ca 0.30 0.36 0.04 0.00 -0.22 0.00 0.00 54.13 54.61 1pwp s LEU 658 Cb 0.01 1.50 -0.01 0.00 0.50 0.00 0.00 46.19 48.19 1pwp s LEU 658 CO 0.15 -0.14 -0.22 -0.47 -1.32 0.00 0.00 176.35 174.34 1pwp s TYR 659 N -0.46 2.57 -0.33 5.38 5.04 -1.26 -0.13 117.35 128.15 1pwp s TYR 659 Ca 0.04 -0.83 -0.00 0.00 -2.44 0.00 0.00 57.07 53.84 1pwp s TYR 659 Cb -0.03 -1.69 0.08 0.00 0.35 0.00 0.00 41.96 40.67 1pwp s TYR 659 CO -0.07 -0.29 0.05 0.08 -1.34 0.00 0.00 175.55 173.98 1pwp s VAL 660 N 0.12 2.79 0.19 3.14 1.01 -0.77 -4.99 120.40 121.90 1pwp s VAL 660 Ca -0.11 -1.81 -0.12 0.00 0.00 0.00 0.00 61.98 59.94 1pwp s VAL 660 Cb -0.16 -2.79 0.11 0.00 0.00 0.00 0.00 36.38 33.54 1pwp s VAL 660 CO 0.06 -0.36 1.84 1.55 0.00 0.00 0.00 175.10 178.19 1pwp h PRO 661 N 7.89 0.74 -0.02 2.72 0.13 -1.95 0.58 132.00 142.09 1pwp h PRO 661 Ca -0.15 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.94 1pwp h PRO 661 Cb 1.05 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 1pwp h PRO 661 CO 0.56 0.49 0.07 0.93 -0.23 0.00 0.00 178.00 179.82 1pwp h GLU 662 N 0.76 0.00 -0.00 0.86 3.07 -1.94 -2.56 114.58 114.77 1pwp h GLU 662 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1pwp h GLU 662 Cb -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1pwp h GLU 662 CO -0.09 0.00 -0.00 -1.13 -1.40 0.00 0.00 179.01 176.39 1pwp n SER 663 N -3.25 0.08 -3.69 1.42 3.41 -0.93 -5.02 113.62 105.63 1pwp n SER 663 Ca -0.02 -0.54 -0.26 0.00 -0.26 0.00 0.00 58.87 57.79 1pwp n SER 663 Cb 0.14 0.92 0.06 0.00 -0.26 0.00 0.00 64.21 65.08 1pwp n SER 663 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pwp n ARG 664 N -0.92 -7.22 -4.38 4.33 1.74 0.20 -3.51 116.66 106.89 1pwp n ARG 664 Ca 0.00 0.76 -0.24 0.00 -0.77 0.00 0.00 57.85 57.60 1pwp n ARG 664 Cb 0.00 -5.77 -0.11 0.00 -1.02 0.00 0.00 32.46 25.56 1pwp n ARG 664 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1pwp s SER 665 N -3.34 3.09 -0.15 0.55 0.01 -1.10 -3.20 113.70 109.56 1pwp s SER 665 Ca 0.60 -0.88 -0.02 0.00 1.31 0.00 0.00 55.95 56.96 1pwp s SER 665 Cb -0.28 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 65.72 1pwp s SER 665 CO 0.76 0.04 -0.08 -0.63 0.41 0.00 0.00 173.24 173.74 1pwp s ILE 666 N -1.92 3.46 -0.13 1.44 1.01 0.74 -1.85 121.20 123.95 1pwp s ILE 666 Ca 0.19 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 1pwp s ILE 666 Cb -0.07 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 1pwp s ILE 666 CO 0.09 0.50 -0.09 -0.76 0.00 0.00 0.00 174.94 174.68 1pwp s LEU 667 N 0.47 2.98 -0.23 2.97 1.43 0.81 -0.99 118.68 126.12 1pwp s LEU 667 Ca -0.06 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1pwp s LEU 667 Cb -0.15 -1.69 0.06 0.00 0.03 0.00 0.00 46.19 44.45 1pwp s LEU 667 CO 0.04 0.19 -0.01 -0.22 0.23 0.00 0.00 176.35 176.58 1pwp s LEU 668 N 0.20 2.03 -0.24 1.79 2.96 -0.43 -1.17 118.68 123.82 1pwp s LEU 668 Ca -0.05 -1.08 -0.25 0.00 -0.22 0.00 0.00 54.13 52.52 1pwp s LEU 668 Cb -0.15 -0.93 -0.00 0.00 0.50 0.00 0.00 46.19 45.61 1pwp s LEU 668 CO 0.04 -0.28 0.86 -2.28 -1.32 0.00 0.00 176.35 173.37 1pwp s HIS 669 N 1.59 3.31 0.01 5.38 5.65 0.15 -2.14 115.29 129.24 1pwp s HIS 669 Ca -0.03 1.19 -0.20 0.00 0.25 0.00 0.00 55.06 56.27 1pwp s HIS 669 Cb -0.18 -3.09 -0.11 0.00 -1.18 0.00 0.00 32.58 28.02 1pwp s HIS 669 CO -0.08 -0.41 0.98 0.78 -0.65 0.00 0.00 174.74 175.35 1pwp h GLY 670 N 9.23 -0.76 -0.98 1.59 0.00 -1.07 -3.36 103.07 107.72 1pwp h GLY 670 Ca -0.22 0.28 0.40 0.00 0.00 0.00 0.00 47.33 47.79 1pwp h GLY 670 CO 0.89 -0.28 0.47 -2.55 0.00 0.00 0.00 176.54 175.08 1pwp h PRO 671 N -0.99 0.01 -7.57 4.80 0.11 -1.81 -3.44 132.00 123.11 1pwp h PRO 671 Ca -0.07 -0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.61 1pwp h PRO 671 Cb 0.56 -0.00 0.19 0.00 0.11 0.00 0.00 31.00 31.85 1pwp h PRO 671 CO 0.12 0.01 0.24 -1.54 -0.21 0.00 0.00 178.00 176.62 1pwp s SER 672 N -4.60 1.52 -0.21 -2.05 1.04 -1.26 -0.79 113.70 107.35 1pwp s SER 672 Ca -0.10 0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.77 1pwp s SER 672 Cb 0.33 -0.53 0.05 0.00 0.10 0.00 0.00 66.02 65.97 1pwp s SER 672 CO 0.78 -3.73 -0.11 -0.75 0.98 0.00 0.00 173.24 170.41 1pwp s LYS 673 N -5.64 2.10 -0.16 4.02 2.47 -1.26 -4.15 119.74 117.12 1pwp s LYS 673 Ca 0.73 -0.96 -0.29 0.00 -1.56 0.00 0.00 55.97 53.89 1pwp s LYS 673 Cb -0.06 -2.54 -0.05 0.00 -1.46 0.00 0.00 37.83 33.71 1pwp s LYS 673 CO 0.55 -0.46 1.90 0.20 0.16 0.00 0.00 175.35 177.70 1pwp s GLY 674 N 1.33 1.03 0.20 5.54 0.00 -1.26 -4.88 107.32 109.28 1pwp s GLY 674 Ca -0.03 0.77 -0.19 0.00 0.00 0.00 0.00 44.72 45.27 1pwp s GLY 674 CO -0.08 3.39 1.42 -0.62 0.00 0.00 0.00 173.10 177.21 1pwp n VAL 675 N 6.67 -0.51 1.00 1.40 0.31 -1.26 -0.52 118.33 125.41 1pwp n VAL 675 Ca 0.23 2.17 0.11 0.00 -0.01 0.00 0.00 64.34 66.83 1pwp n VAL 675 Cb 0.44 -2.82 0.01 0.00 -0.91 0.00 0.00 33.84 30.56 1pwp n VAL 675 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1pwp n GLU 676 N -5.31 1.35 -3.43 5.55 4.07 -1.26 -4.88 120.64 116.73 1pwp n GLU 676 Ca 0.08 -1.11 -0.39 0.00 -0.06 0.00 0.00 57.16 55.68 1pwp n GLU 676 Cb 0.34 -1.47 -0.09 0.00 -0.06 0.00 0.00 31.44 30.15 1pwp n GLU 676 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1pwp s LEU 677 N -2.42 4.06 0.39 4.31 1.43 0.32 -4.98 118.68 121.79 1pwp s LEU 677 Ca 0.19 0.29 0.20 0.00 -1.03 0.00 0.00 54.13 53.78 1pwp s LEU 677 Cb 0.18 -2.39 0.74 0.00 0.03 0.00 0.00 46.19 44.75 1pwp s LEU 677 CO 0.54 -0.14 1.76 0.08 0.23 0.00 0.00 176.35 178.82 1pwp h ARG 678 N 8.01 0.00 -3.12 1.70 0.11 -1.90 -3.34 114.38 115.83 1pwp h ARG 678 Ca -0.33 0.00 0.04 0.00 0.10 0.00 0.00 59.98 59.79 1pwp h ARG 678 Cb 1.16 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.19 1pwp h ARG 678 CO 0.65 0.34 0.17 0.54 0.10 0.00 0.00 179.97 181.76 1pwp s ASN 679 N -6.39 -0.22 0.22 0.08 2.20 -1.26 -5.01 114.94 104.56 1pwp s ASN 679 Ca 0.00 -0.69 -0.08 0.00 -0.94 0.00 0.00 52.86 51.16 1pwp s ASN 679 Cb 0.11 0.71 0.35 0.00 -2.00 0.00 0.00 41.25 40.41 1pwp s ASN 679 CO 0.68 -1.32 1.72 0.44 -2.94 0.00 0.00 177.10 175.68 1pwp h ASP 680 N 2.05 0.16 0.04 3.54 3.45 -1.96 -2.66 116.42 121.03 1pwp h ASP 680 Ca -0.21 0.10 0.01 0.00 0.43 0.00 0.00 57.03 57.36 1pwp h ASP 680 Cb 1.25 0.10 -0.03 0.00 -0.56 0.00 0.00 39.33 40.10 1pwp h ASP 680 CO 0.26 0.08 -0.27 0.28 -1.57 0.00 0.00 179.24 178.02 1pwp h SER 681 N 0.37 -0.81 -1.00 6.45 0.02 -1.95 -0.46 113.55 116.16 1pwp h SER 681 Ca 0.35 0.09 0.14 0.00 -0.84 0.00 0.00 61.79 61.53 1pwp h SER 681 Cb 0.50 0.30 -0.15 0.00 0.14 0.00 0.00 62.40 63.19 1pwp h SER 681 CO -0.38 -0.27 -0.42 -0.33 -1.14 0.00 0.00 176.83 174.28 1pwp h GLU 682 N -0.36 -0.00 -0.44 3.45 5.08 -1.92 0.11 114.58 120.49 1pwp h GLU 682 Ca 0.00 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1pwp h GLU 682 Cb 0.38 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.54 1pwp h GLU 682 CO -0.16 -0.00 -0.16 0.78 -1.00 0.00 0.00 179.01 178.48 1pwp h GLY 683 N -0.00 0.23 0.70 -3.84 0.00 -1.04 0.46 103.07 99.57 1pwp h GLY 683 Ca 0.32 0.20 0.01 0.00 0.00 0.00 0.00 47.33 47.85 1pwp h GLY 683 CO -0.98 -0.19 -0.22 -2.75 0.00 0.00 0.00 176.54 172.40 1pwp h PHE 684 N -0.06 -0.59 -0.83 5.60 3.57 0.81 -2.27 116.94 123.17 1pwp h PHE 684 Ca 0.22 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.82 1pwp h PHE 684 Cb 0.39 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.30 1pwp h PHE 684 CO -0.42 -0.33 0.54 0.82 -2.23 0.00 0.00 178.31 176.69 1pwp h ILE 685 N -0.46 0.96 -0.85 1.41 2.04 -0.61 0.64 117.51 120.64 1pwp h ILE 685 Ca 0.01 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.63 1pwp h ILE 685 Cb 0.44 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 1pwp h ILE 685 CO -0.07 0.14 0.55 -0.74 0.00 0.00 0.00 178.15 178.03 1pwp h HIS 686 N 0.79 1.03 0.00 1.37 2.76 -0.42 -1.01 115.15 119.67 1pwp h HIS 686 Ca 0.38 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.50 1pwp h HIS 686 Cb 0.42 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 1pwp h HIS 686 CO -0.00 0.59 -0.38 0.93 -1.30 0.00 0.00 177.93 177.77 1pwp h GLU 687 N 1.07 0.00 0.00 5.26 4.39 -0.41 -2.20 114.58 122.68 1pwp h GLU 687 Ca 0.34 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.00 1pwp h GLU 687 Cb -0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1pwp h GLU 687 CO -0.11 0.38 -0.18 0.35 -1.16 0.00 0.00 179.01 178.29 1pwp h PHE 688 N 0.00 0.00 -0.19 4.33 3.57 0.16 -2.66 116.94 122.16 1pwp h PHE 688 Ca -0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1pwp h PHE 688 Cb 0.98 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1pwp h PHE 688 CO 0.00 0.18 0.07 0.78 -2.23 0.00 0.00 178.31 177.12 1pwp h GLY 689 N 2.16 0.30 1.44 2.40 0.00 -0.62 -0.33 103.07 108.41 1pwp h GLY 689 Ca -0.00 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.19 1pwp h GLY 689 CO 0.02 0.15 0.34 0.45 0.00 0.00 0.00 176.54 177.51 1pwp h HIS 690 N 0.15 0.60 -0.58 5.60 3.86 -1.48 0.19 115.15 123.49 1pwp h HIS 690 Ca 0.06 0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.19 1pwp h HIS 690 Cb 0.17 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 1pwp h HIS 690 CO -0.01 0.36 -0.03 0.00 0.86 0.00 0.00 177.93 179.11 1pwp h ALA 691 N 1.69 0.84 -0.24 2.45 0.00 -1.07 -1.92 119.26 121.02 1pwp h ALA 691 Ca 0.20 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1pwp h ALA 691 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1pwp h ALA 691 CO -0.05 0.66 -0.15 0.28 0.00 0.00 0.00 179.25 180.00 1pwp h VAL 692 N 0.94 1.31 -0.55 0.00 2.07 0.24 -1.74 116.25 118.52 1pwp h VAL 692 Ca 0.16 -1.26 0.16 0.00 0.82 0.00 0.00 66.70 66.58 1pwp h VAL 692 Cb 0.59 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1pwp h VAL 692 CO 0.04 0.39 0.48 -0.78 0.02 0.00 0.00 177.57 177.72 1pwp h ASP 693 N 0.24 0.00 0.07 0.57 -0.00 -0.48 0.37 116.42 117.19 1pwp h ASP 693 Ca 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 57.08 1pwp h ASP 693 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.00 1pwp h ASP 693 CO 0.04 0.00 -0.03 -0.78 -0.00 0.00 0.00 179.24 178.47 1pwp h ASP 694 N 0.00 -0.08 -0.25 2.28 1.82 -0.70 -2.79 116.42 116.69 1pwp h ASP 694 Ca 0.26 0.00 0.03 0.00 -0.39 0.00 0.00 57.03 56.94 1pwp h ASP 694 Cb 1.22 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 41.24 1pwp h ASP 694 CO -0.00 0.41 0.17 0.22 -1.61 0.00 0.00 179.24 178.42 1pwp h TYR 695 N -1.02 0.18 0.20 0.28 3.20 -0.85 -0.15 116.97 118.80 1pwp h TYR 695 Ca -0.01 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1pwp h TYR 695 Cb 0.07 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.28 1pwp h TYR 695 CO 0.00 0.11 -0.09 0.00 -1.64 0.00 0.00 178.16 176.53 1pwp h ALA 696 N 1.86 -0.26 0.00 1.82 0.00 -1.08 -1.61 119.26 119.99 1pwp h ALA 696 Ca 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1pwp h ALA 696 Cb 0.19 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1pwp h ALA 696 CO -0.02 -0.41 0.00 0.78 0.00 0.00 0.00 179.25 179.60 1pwp h GLY 697 N -0.74 0.00 1.21 0.00 0.00 -1.27 -1.64 103.07 100.63 1pwp h GLY 697 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.98 1pwp h GLY 697 CO 0.04 0.00 -1.54 -1.82 0.00 0.00 0.00 176.54 173.22 1pwp h TYR 698 N 0.00 0.72 0.00 5.60 5.03 -0.83 -3.28 116.97 124.21 1pwp h TYR 698 Ca 0.00 -0.52 0.00 0.00 2.58 0.00 0.00 58.73 60.79 1pwp h TYR 698 Cb 0.15 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.40 1pwp h TYR 698 CO 0.00 1.52 0.00 1.28 -1.32 0.00 0.00 178.16 179.64 1pwp n LEU 699 N -3.59 0.00 0.07 2.82 4.77 -0.63 -1.93 117.00 118.52 1pwp n LEU 699 Ca -0.18 0.18 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 1pwp n LEU 699 Cb 1.07 -0.18 -0.10 0.00 -2.33 0.00 0.00 43.42 41.88 1pwp n LEU 699 CO 0.55 -0.06 0.03 -0.07 -1.33 0.00 0.00 177.39 176.50 1pwp h LEU 700 N 0.00 0.79 -5.00 2.23 3.38 -1.59 -3.44 115.31 111.68 1pwp h LEU 700 Ca 0.00 -0.69 -0.03 0.00 0.09 0.00 0.00 57.88 57.25 1pwp h LEU 700 Cb 0.12 -0.25 -0.15 0.00 0.09 0.00 0.00 40.66 40.47 1pwp h LEU 700 CO 0.00 1.49 -0.21 -0.90 0.09 0.00 0.00 178.44 178.91 1pwp n ASP 701 N -3.78 -1.95 0.00 -0.43 5.75 -1.13 -4.98 116.55 110.02 1pwp n ASP 701 Ca -0.11 -1.46 0.00 0.00 -0.01 0.00 0.00 54.79 53.21 1pwp n ASP 701 Cb 0.93 0.99 0.00 0.00 -1.03 0.00 0.00 41.12 42.01 1pwp n ASP 701 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1pwp n LYS 702 N 2.64 0.00 -0.02 0.11 5.02 -0.81 0.15 118.16 125.26 1pwp n LYS 702 Ca 0.13 0.16 0.12 0.00 -2.02 0.00 0.00 58.31 56.70 1pwp n LYS 702 Cb 0.63 -1.70 0.61 0.00 -0.02 0.00 0.00 35.03 34.55 1pwp n LYS 702 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1pwp n ASN 703 N -1.09 0.64 -3.19 4.39 3.02 -1.26 -4.35 115.26 113.42 1pwp n ASN 703 Ca 0.00 -1.39 0.01 0.00 -0.03 0.00 0.00 54.58 53.17 1pwp n ASN 703 Cb 0.20 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.33 1pwp n ASN 703 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1pwp s GLN 704 N -1.95 0.52 -0.53 3.52 2.00 0.41 -5.13 119.66 118.51 1pwp s GLN 704 Ca 0.36 0.56 -0.29 0.00 -2.00 0.00 0.00 55.36 53.99 1pwp s GLN 704 Cb 0.18 0.17 0.03 0.00 0.80 0.00 0.00 33.01 34.18 1pwp s GLN 704 CO 0.29 -0.94 1.22 -1.54 -0.50 0.00 0.00 175.29 173.81 1pwp s SER 705 N 2.77 6.47 0.25 6.67 1.04 -1.26 -4.58 113.70 125.06 1pwp s SER 705 Ca 0.12 0.32 -0.01 0.00 0.48 0.00 0.00 55.95 56.86 1pwp s SER 705 Cb -0.12 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.42 1pwp s SER 705 CO -0.25 -1.42 0.25 -0.62 0.98 0.00 0.00 173.24 172.17 1pwp s ASP 706 N 3.03 0.54 -0.08 7.02 2.15 -1.24 -5.01 116.67 123.08 1pwp s ASP 706 Ca 0.47 -1.42 -0.25 0.00 0.43 0.00 0.00 52.55 51.79 1pwp s ASP 706 Cb -0.08 0.48 -0.03 0.00 -0.30 0.00 0.00 42.92 42.99 1pwp s ASP 706 CO 0.28 -0.98 0.76 -0.76 -0.17 0.00 0.00 175.17 174.30 1pwp s LEU 707 N -3.20 4.29 0.00 -1.34 1.43 -1.26 -3.17 118.68 115.44 1pwp s LEU 707 Ca 0.36 1.24 0.20 0.00 -1.03 0.00 0.00 54.13 54.90 1pwp s LEU 707 Cb 0.04 -3.17 1.16 0.00 0.03 0.00 0.00 46.19 44.25 1pwp s LEU 707 CO 0.16 -0.20 1.62 0.55 0.23 0.00 0.00 176.35 178.71 1pwp n VAL 708 N 4.02 0.13 0.98 -1.59 3.14 -1.07 -0.78 118.33 123.15 1pwp n VAL 708 Ca 0.01 0.03 0.11 0.00 -2.96 0.00 0.00 64.34 61.53 1pwp n VAL 708 Cb 0.51 -0.71 0.06 0.00 -1.06 0.00 0.00 33.84 32.64 1pwp n VAL 708 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 1pwp n THR 709 N -1.09 0.01 0.75 1.55 5.66 -1.26 -3.70 114.28 116.19 1pwp n THR 709 Ca 0.14 -0.01 0.11 0.00 -3.05 0.00 0.00 64.05 61.24 1pwp n THR 709 Cb 0.10 0.62 0.10 0.00 -1.55 0.00 0.00 70.33 69.60 1pwp n THR 709 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1pwp n ASN 710 N -1.52 0.63 -4.60 1.09 4.05 0.04 -4.60 115.26 110.35 1pwp n ASN 710 Ca 0.05 -0.26 -0.41 0.00 0.45 0.00 0.00 54.58 54.40 1pwp n ASN 710 Cb 0.34 0.56 0.01 0.00 1.23 0.00 0.00 39.78 41.92 1pwp n ASN 710 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1pwp n SER 711 N -1.79 1.04 -0.25 1.20 3.41 -1.22 -4.77 113.62 111.25 1pwp n SER 711 Ca 0.03 1.01 -0.03 0.00 -0.26 0.00 0.00 58.87 59.63 1pwp n SER 711 Cb 0.39 -1.33 0.09 0.00 -0.26 0.00 0.00 64.21 63.10 1pwp n SER 711 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1pwp h LYS 712 N 1.41 0.79 -0.85 4.33 2.10 -1.93 -1.32 116.57 121.10 1pwp h LYS 712 Ca -0.44 -0.05 0.09 0.00 -2.00 0.00 0.00 60.65 58.25 1pwp h LYS 712 Cb 1.34 -0.18 -0.06 0.00 -0.90 0.00 0.00 32.23 32.44 1pwp h LYS 712 CO 0.56 0.52 0.55 -0.22 -2.00 0.00 0.00 179.45 178.86 1pwp h LYS 713 N 0.81 0.83 0.00 0.07 3.64 -1.96 -2.21 116.57 117.74 1pwp h LYS 713 Ca 0.29 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.42 1pwp h LYS 713 Cb 0.07 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1pwp h LYS 713 CO -0.13 0.55 -1.00 0.35 -2.27 0.00 0.00 179.45 176.95 1pwp h PHE 714 N 0.85 0.00 0.00 1.91 3.57 -1.67 -3.14 116.94 118.47 1pwp h PHE 714 Ca 0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.89 1pwp h PHE 714 Cb 0.37 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1pwp h PHE 714 CO -0.00 0.91 0.00 0.82 -2.23 0.00 0.00 178.31 177.81 1pwp h ILE 715 N 0.00 0.00 0.13 1.41 2.04 -0.63 -1.13 117.51 119.34 1pwp h ILE 715 Ca -0.04 -0.19 -0.34 0.00 1.00 0.00 0.00 64.86 65.29 1pwp h ILE 715 Cb 1.73 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 1pwp h ILE 715 CO 0.11 0.00 -1.82 0.44 0.00 0.00 0.00 178.15 176.88 1pwp h ASP 716 N 0.00 0.44 -0.33 1.72 3.45 -1.54 -2.49 116.42 117.67 1pwp h ASP 716 Ca 0.00 -0.91 0.03 0.00 0.43 0.00 0.00 57.03 56.57 1pwp h ASP 716 Cb 0.19 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 38.80 1pwp h ASP 716 CO 0.00 1.79 0.22 0.40 -1.57 0.00 0.00 179.24 180.08 1pwp h ILE 717 N -0.03 1.02 0.03 0.35 2.04 -1.35 0.17 117.51 119.73 1pwp h ILE 717 Ca -0.39 -0.12 -0.21 0.00 1.00 0.00 0.00 64.86 65.15 1pwp h ILE 717 Cb 1.97 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 1pwp h ILE 717 CO 0.09 0.06 -0.97 0.15 0.00 0.00 0.00 178.15 177.48 1pwp h PHE 718 N 0.34 0.22 -0.47 1.37 3.04 -1.33 0.14 116.94 120.24 1pwp h PHE 718 Ca 0.13 -0.14 0.01 0.00 3.98 0.00 0.00 57.97 61.96 1pwp h PHE 718 Cb 0.12 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.58 1pwp h PHE 718 CO -0.00 1.02 0.31 0.87 -2.02 0.00 0.00 178.31 178.49 1pwp h LYS 719 N 0.06 0.59 0.00 1.11 1.79 -0.23 0.50 116.57 120.40 1pwp h LYS 719 Ca -0.05 -0.04 -0.13 0.00 -2.18 0.00 0.00 60.65 58.26 1pwp h LYS 719 Cb 1.65 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 32.15 1pwp h LYS 719 CO 0.14 0.39 -1.40 -1.91 -1.08 0.00 0.00 179.45 175.59 1pwp n GLU 720 N -4.47 0.54 0.00 3.15 2.13 -0.65 -4.60 120.64 116.75 1pwp n GLU 720 Ca 0.04 0.24 0.15 0.00 0.66 0.00 0.00 57.16 58.25 1pwp n GLU 720 Cb 0.08 -1.46 0.67 0.00 0.27 0.00 0.00 31.44 31.01 1pwp n GLU 720 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1pwp n GLU 721 N -4.41 1.37 0.00 5.31 1.02 0.47 -4.32 120.64 120.07 1pwp n GLU 721 Ca -0.25 -0.58 0.00 0.00 -0.02 0.00 0.00 57.16 56.31 1pwp n GLU 721 Cb 0.61 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 1pwp n GLU 721 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pwp n GLY 722 N 1.12 -0.35 0.15 0.62 0.00 0.17 -2.22 105.19 104.67 1pwp n GLY 722 Ca 0.20 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.27 1pwp n GLY 722 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pwp n SER 723 N -1.35 1.56 -0.16 1.61 7.64 -1.26 -4.34 113.62 117.33 1pwp n SER 723 Ca 0.00 -2.48 0.11 0.00 1.01 0.00 0.00 58.87 57.51 1pwp n SER 723 Cb 0.03 -0.27 0.02 0.00 -1.01 0.00 0.00 64.21 62.98 1pwp n SER 723 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1pwp n ASN 724 N -0.83 1.19 0.00 6.43 3.02 -0.94 -4.93 115.26 119.20 1pwp n ASN 724 Ca 0.08 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1pwp n ASN 724 Cb 0.57 0.65 0.00 0.00 -0.61 0.00 0.00 39.78 40.40 1pwp n ASN 724 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1pwp n LEU 725 N -1.03 0.00 -4.89 3.41 4.77 -1.26 -4.92 117.00 113.08 1pwp n LEU 725 Ca 0.06 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.75 1pwp n LEU 725 Cb 0.37 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1pwp n LEU 725 CO 0.36 0.00 0.34 0.42 -1.33 0.00 0.00 177.39 177.18 1pwp s THR 726 N 3.27 4.89 0.09 -5.08 -4.23 -1.26 -4.98 115.64 108.34 1pwp s THR 726 Ca 0.00 0.37 -0.30 0.00 -1.18 0.00 0.00 61.69 60.57 1pwp s THR 726 Cb 0.00 -3.74 -0.14 0.00 1.34 0.00 0.00 72.50 69.97 1pwp s THR 726 CO 0.00 -0.45 1.63 0.28 -0.54 0.00 0.00 174.62 175.54 1pwp h SER 727 N 1.39 -0.81 -0.95 3.99 0.02 -1.98 -1.20 113.55 114.01 1pwp h SER 727 Ca -0.47 0.07 0.17 0.00 -0.84 0.00 0.00 61.79 60.71 1pwp h SER 727 Cb 1.19 0.27 -0.10 0.00 0.14 0.00 0.00 62.40 63.89 1pwp h SER 727 CO 0.65 -0.45 0.55 0.22 -1.14 0.00 0.00 176.83 176.65 1pwp h TYR 728 N -0.67 0.96 0.00 3.45 3.20 -2.00 0.37 116.97 122.27 1pwp h TYR 728 Ca -0.03 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1pwp h TYR 728 Cb 0.60 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 1pwp h TYR 728 CO -0.16 0.22 -0.01 0.78 -1.64 0.00 0.00 178.16 177.35 1pwp h GLY 729 N 0.72 0.00 2.00 1.82 0.00 -1.54 -1.73 103.07 104.34 1pwp h GLY 729 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1pwp h GLY 729 CO -0.37 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.04 1pwp n ARG 730 N -3.87 0.23 -0.28 4.80 0.63 0.13 -2.21 116.66 116.09 1pwp n ARG 730 Ca -0.03 0.31 0.08 0.00 -0.92 0.00 0.00 57.85 57.29 1pwp n ARG 730 Cb 0.09 -1.83 0.20 0.00 0.45 0.00 0.00 32.46 31.37 1pwp n ARG 730 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1pwp h THR 731 N 0.00 0.30 -1.91 5.15 2.02 -1.35 -3.46 112.91 113.66 1pwp h THR 731 Ca 0.00 -0.04 0.29 0.00 0.77 0.00 0.00 66.41 67.43 1pwp h THR 731 Cb 0.56 0.17 -0.09 0.00 -1.74 0.00 0.00 68.15 67.05 1pwp h THR 731 CO 0.00 0.02 0.77 0.54 0.37 0.00 0.00 175.52 177.22 1pwp s ASN 732 N -5.16 -0.04 0.14 4.18 2.20 -1.26 -5.04 114.94 109.97 1pwp s ASN 732 Ca -0.13 -0.27 -0.17 0.00 -0.94 0.00 0.00 52.86 51.34 1pwp s ASN 732 Cb 0.24 0.25 -0.00 0.00 -2.00 0.00 0.00 41.25 39.73 1pwp s ASN 732 CO 0.76 -0.48 1.79 1.05 -2.94 0.00 0.00 177.10 177.28 1pwp h GLU 733 N 2.00 0.39 -0.90 3.55 9.09 -1.88 0.41 114.58 127.24 1pwp h GLU 733 Ca -0.27 -0.02 0.05 0.00 0.05 0.00 0.00 59.36 59.16 1pwp h GLU 733 Cb 1.20 -0.09 -0.06 0.00 -1.65 0.00 0.00 28.75 28.16 1pwp h GLU 733 CO 0.30 0.26 0.58 0.00 0.05 0.00 0.00 179.01 180.20 1pwp h ALA 734 N 1.14 1.22 -0.03 1.06 0.00 -1.95 0.86 119.26 121.55 1pwp h ALA 734 Ca 0.13 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 1pwp h ALA 734 Cb -0.02 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.50 1pwp h ALA 734 CO -0.05 0.38 -0.76 0.93 0.00 0.00 0.00 179.25 179.76 1pwp h GLU 735 N 1.08 0.56 -0.80 0.00 4.39 -1.79 -2.51 114.58 115.51 1pwp h GLU 735 Ca 0.38 -0.57 0.05 0.00 0.34 0.00 0.00 59.36 59.56 1pwp h GLU 735 Cb 0.09 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 28.83 1pwp h GLU 735 CO -0.15 1.19 0.49 0.35 -1.16 0.00 0.00 179.01 179.73 1pwp h PHE 736 N 0.15 0.91 -0.70 4.33 3.57 0.30 0.39 116.94 125.90 1pwp h PHE 736 Ca -0.09 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.40 1pwp h PHE 736 Cb 1.43 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 1pwp h PHE 736 CO 0.12 0.47 0.26 0.35 -2.23 0.00 0.00 178.31 177.29 1pwp h PHE 737 N 0.91 1.07 -0.42 0.41 3.57 -0.85 -1.19 116.94 120.44 1pwp h PHE 737 Ca 0.34 -0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.65 1pwp h PHE 737 Cb 0.13 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 1pwp h PHE 737 CO -0.04 0.84 -0.15 0.00 -2.23 0.00 0.00 178.31 176.73 1pwp h ALA 738 N 1.12 0.58 -0.33 2.41 0.00 -0.72 0.77 119.26 123.08 1pwp h ALA 738 Ca 0.23 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1pwp h ALA 738 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1pwp h ALA 738 CO -0.02 0.50 -0.27 0.93 0.00 0.00 0.00 179.25 180.39 1pwp h GLU 739 N 0.65 0.68 0.26 0.00 4.39 -0.15 -1.74 114.58 118.68 1pwp h GLU 739 Ca 0.10 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 1pwp h GLU 739 Cb 0.69 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1pwp h GLU 739 CO 0.05 0.88 -0.12 0.00 -1.16 0.00 0.00 179.01 178.66 1pwp h ALA 740 N 1.11 -0.35 -1.00 3.43 0.00 -1.09 -1.69 119.26 119.67 1pwp h ALA 740 Ca 0.08 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 55.02 1pwp h ALA 740 Cb 0.77 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.58 1pwp h ALA 740 CO 0.06 -0.52 0.61 0.35 0.00 0.00 0.00 179.25 179.75 1pwp h PHE 741 N -0.69 0.99 0.46 0.00 3.57 -0.82 -1.35 116.94 119.11 1pwp h PHE 741 Ca -0.04 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1pwp h PHE 741 Cb 0.48 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1pwp h PHE 741 CO 0.03 0.18 -0.22 -0.09 -2.23 0.00 0.00 178.31 175.97 1pwp h ARG 742 N 0.67 -0.59 -0.85 1.11 2.43 -1.06 -2.91 114.38 113.18 1pwp h ARG 742 Ca 0.59 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.79 1pwp h ARG 742 Cb 1.04 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.69 1pwp h ARG 742 CO -0.38 -0.36 0.49 -0.07 -1.51 0.00 0.00 179.97 178.15 1pwp h LEU 743 N -0.69 1.03 -2.15 3.80 3.38 -0.61 -1.62 115.31 118.45 1pwp h LEU 743 Ca -0.06 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 57.90 1pwp h LEU 743 Cb 0.51 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1pwp h LEU 743 CO 0.10 0.81 0.25 0.24 0.09 0.00 0.00 178.44 179.93 1pwp h MET 744 N 1.17 0.00 -0.24 1.13 2.86 -1.20 -1.48 114.93 117.17 1pwp h MET 744 Ca 0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 1pwp h MET 744 Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1pwp h MET 744 CO -0.05 0.00 0.00 0.72 1.06 0.00 0.00 176.91 178.64 1pwp n HIS 745 N -3.89 0.82 -1.14 -0.22 8.25 -0.65 -4.82 115.22 113.56 1pwp n HIS 745 Ca 0.03 -0.87 -0.31 0.00 -0.26 0.00 0.00 57.72 56.32 1pwp n HIS 745 Cb 0.39 -0.28 0.12 0.00 1.12 0.00 0.00 29.99 31.34 1pwp n HIS 745 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1pwp s SER 746 N -1.97 3.89 0.32 0.41 0.15 -0.56 -4.81 113.70 111.15 1pwp s SER 746 Ca 0.40 1.77 0.17 0.00 0.70 0.00 0.00 55.95 59.00 1pwp s SER 746 Cb 0.32 -2.42 0.14 0.00 -1.71 0.00 0.00 66.02 62.35 1pwp s SER 746 CO 0.09 -2.42 1.49 0.74 1.20 0.00 0.00 173.24 174.33 1pwp h THR 747 N -1.39 0.60 -2.42 6.45 2.02 -1.92 -3.40 112.91 112.85 1pwp h THR 747 Ca -0.46 -1.85 -0.60 0.00 0.77 0.00 0.00 66.41 64.28 1pwp h THR 747 Cb 1.25 2.29 -0.12 0.00 -1.74 0.00 0.00 68.15 69.84 1pwp h THR 747 CO 0.51 0.34 0.83 -0.62 0.37 0.00 0.00 175.52 176.95 1pwp s ASP 748 N -6.37 6.22 0.46 4.18 -1.08 -1.26 -4.88 116.67 113.94 1pwp s ASP 748 Ca 0.05 -0.87 0.21 0.00 -0.52 0.00 0.00 52.55 51.41 1pwp s ASP 748 Cb 0.07 -2.48 1.21 0.00 -1.46 0.00 0.00 42.92 40.25 1pwp s ASP 748 CO 0.72 -1.58 1.91 0.45 0.52 0.00 0.00 175.17 177.19 1pwp h HIS 749 N 9.72 0.32 -0.74 -5.34 3.86 -1.96 0.21 115.15 121.23 1pwp h HIS 749 Ca -0.22 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.04 1pwp h HIS 749 Cb 1.06 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 29.38 1pwp h HIS 749 CO 1.07 0.10 0.45 0.00 0.86 0.00 0.00 177.93 180.41 1pwp h ALA 750 N 1.64 0.98 0.00 2.45 0.00 -1.96 -0.80 119.26 121.57 1pwp h ALA 750 Ca 0.39 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1pwp h ALA 750 Cb 1.13 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1pwp h ALA 750 CO -0.09 0.21 -0.04 1.49 0.00 0.00 0.00 179.25 180.82 1pwp h GLU 751 N 0.87 0.00 -0.25 0.00 4.81 -0.90 -1.30 114.58 117.81 1pwp h GLU 751 Ca 0.31 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.37 1pwp h GLU 751 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1pwp h GLU 751 CO -0.13 0.04 -0.51 0.00 -0.73 0.00 0.00 179.01 177.68 1pwp h ARG 752 N 0.00 0.79 -0.72 1.92 3.08 -1.04 -3.19 114.38 115.21 1pwp h ARG 752 Ca -0.00 -0.51 0.06 0.00 0.07 0.00 0.00 59.98 59.60 1pwp h ARG 752 Cb 0.09 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.15 1pwp h ARG 752 CO 0.01 1.14 0.42 -0.07 -1.07 0.00 0.00 179.97 180.39 1pwp h LEU 753 N 0.54 0.63 -1.37 3.04 -0.00 -0.96 -2.70 115.31 114.48 1pwp h LEU 753 Ca 0.01 0.03 0.22 0.00 -0.00 0.00 0.00 57.88 58.14 1pwp h LEU 753 Cb 1.12 -0.10 -0.08 0.00 -0.00 0.00 0.00 40.66 41.60 1pwp h LEU 753 CO 0.11 0.40 0.63 0.11 -0.00 0.00 0.00 178.44 179.69 1pwp h LYS 754 N 0.76 0.46 -0.00 1.13 1.57 -1.50 0.49 116.57 119.48 1pwp h LYS 754 Ca 0.32 -0.03 -0.24 0.00 -1.87 0.00 0.00 60.65 58.84 1pwp h LYS 754 Cb 0.19 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.40 1pwp h LYS 754 CO -0.18 0.30 -0.97 0.28 -0.57 0.00 0.00 179.45 178.32 1pwp h VAL 755 N 0.47 1.37 0.00 0.50 2.07 -1.60 -2.28 116.25 116.78 1pwp h VAL 755 Ca 0.53 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.66 1pwp h VAL 755 Cb 1.23 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 1pwp h VAL 755 CO -0.25 0.72 0.00 -0.61 0.02 0.00 0.00 177.57 177.45 1pwp h GLN 756 N 0.28 0.00 0.00 1.57 4.15 -0.89 0.18 115.11 120.40 1pwp h GLN 756 Ca -0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1pwp h GLN 756 Cb 1.61 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.30 1pwp h GLN 756 CO 0.17 0.00 -0.01 0.36 -1.93 0.00 0.00 178.83 177.43 1pwp n LYS 757 N -2.55 2.54 0.00 1.69 2.85 -0.47 -4.39 118.16 117.83 1pwp n LYS 757 Ca 0.02 -1.50 0.00 0.00 -1.05 0.00 0.00 58.31 55.78 1pwp n LYS 757 Cb 0.30 -0.99 0.00 0.00 -0.65 0.00 0.00 35.03 33.68 1pwp n LYS 757 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1pwp n ASN 758 N -0.53 0.12 -2.75 -5.58 4.13 -0.86 -4.88 115.26 104.91 1pwp n ASN 758 Ca 0.01 -0.03 -0.10 0.00 1.68 0.00 0.00 54.58 56.14 1pwp n ASN 758 Cb 0.31 0.08 0.03 0.00 -1.54 0.00 0.00 39.78 38.67 1pwp n ASN 758 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pwp n ALA 759 N -0.10 2.85 -0.13 5.41 0.00 0.64 -4.72 120.51 124.47 1pwp n ALA 759 Ca 0.00 -2.92 -0.12 0.00 0.00 0.00 0.00 53.44 50.40 1pwp n ALA 759 Cb 0.00 -0.95 -0.09 0.00 0.00 0.00 0.00 19.45 18.41 1pwp n ALA 759 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1pwp h PRO 760 N 2.89 -0.32 -0.00 0.00 0.11 -1.76 0.23 132.00 133.15 1pwp h PRO 760 Ca -0.09 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1pwp h PRO 760 Cb 1.16 0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1pwp h PRO 760 CO 0.43 -0.21 0.07 -0.22 -0.21 0.00 0.00 178.00 177.85 1pwp h LYS 761 N -0.33 0.00 0.05 1.05 3.11 -1.95 -2.19 116.57 116.31 1pwp h LYS 761 Ca 0.06 0.00 -0.23 0.00 -2.81 0.00 0.00 60.65 57.67 1pwp h LYS 761 Cb 0.50 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.72 1pwp h LYS 761 CO -0.52 0.00 -1.25 1.15 -2.81 0.00 0.00 179.45 176.02 1pwp h THR 762 N 0.00 1.03 -0.96 1.00 2.02 -1.44 -2.55 112.91 112.00 1pwp h THR 762 Ca 0.00 -2.29 0.17 0.00 0.77 0.00 0.00 66.41 65.06 1pwp h THR 762 Cb 0.14 2.56 -0.09 0.00 -1.74 0.00 0.00 68.15 69.02 1pwp h THR 762 CO -0.00 0.55 0.61 0.15 0.37 0.00 0.00 175.52 177.20 1pwp h PHE 763 N -0.64 0.92 0.04 3.16 3.57 -0.05 0.25 116.94 124.19 1pwp h PHE 763 Ca -0.30 0.03 -0.26 0.00 3.53 0.00 0.00 57.97 60.97 1pwp h PHE 763 Cb 1.51 -0.28 0.01 0.00 2.79 0.00 0.00 35.95 39.98 1pwp h PHE 763 CO 0.13 0.26 -1.07 1.96 -2.23 0.00 0.00 178.31 177.37 1pwp h GLN 764 N 0.71 0.52 -0.04 1.11 1.08 -1.54 -2.66 115.11 114.29 1pwp h GLN 764 Ca 0.52 -0.62 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1pwp h GLN 764 Cb 0.86 0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 28.48 1pwp h GLN 764 CO -0.28 1.24 0.02 0.35 -0.95 0.00 0.00 178.83 179.20 1pwp h PHE 765 N 0.27 0.07 -0.20 2.96 3.57 -0.51 -0.39 116.94 122.71 1pwp h PHE 765 Ca -0.12 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 1pwp h PHE 765 Cb 1.72 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.43 1pwp h PHE 765 CO 0.08 0.18 0.09 0.82 -2.23 0.00 0.00 178.31 177.25 1pwp h ILE 766 N -0.07 1.08 0.00 1.41 5.03 -0.70 -1.57 117.51 122.69 1pwp h ILE 766 Ca 0.02 -0.24 -0.10 0.00 -0.12 0.00 0.00 64.86 64.42 1pwp h ILE 766 Cb 0.14 0.84 -0.01 0.00 -3.03 0.00 0.00 36.82 34.75 1pwp h ILE 766 CO -0.00 0.09 -0.48 0.78 -0.68 0.00 0.00 178.15 177.86 1pwp h ASN 767 N 0.28 0.00 0.19 1.72 -0.26 -1.06 -2.56 115.58 113.88 1pwp h ASN 767 Ca 0.07 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 1pwp h ASN 767 Cb 0.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.31 1pwp h ASN 767 CO -0.01 0.48 -0.09 0.44 -1.06 0.00 0.00 177.43 177.19 1pwp h ASP 768 N 0.00 -0.21 -0.89 5.81 3.32 -0.10 -2.62 116.42 121.73 1pwp h ASP 768 Ca -0.00 -0.30 0.17 0.00 0.02 0.00 0.00 57.03 56.91 1pwp h ASP 768 Cb 1.16 0.06 -0.10 0.00 0.22 0.00 0.00 39.33 40.66 1pwp h ASP 768 CO 0.06 0.23 0.46 1.56 -1.72 0.00 0.00 179.24 179.84 1pwp h GLN 769 N -0.72 0.60 0.90 3.56 7.50 -1.45 0.52 115.11 126.02 1pwp h GLN 769 Ca -0.03 -0.04 -0.04 0.00 0.50 0.00 0.00 58.65 59.05 1pwp h GLN 769 Cb 0.50 -0.14 0.00 0.00 0.05 0.00 0.00 27.48 27.90 1pwp h GLN 769 CO 0.04 0.40 -0.48 0.82 -1.50 0.00 0.00 178.83 178.11 1pwp h ILE 770 N 0.62 0.00 -0.73 2.54 1.08 -1.44 0.10 117.51 119.68 1pwp h ILE 770 Ca 0.50 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 65.03 1pwp h ILE 770 Cb 0.76 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.47 1pwp h ILE 770 CO -0.39 0.00 0.48 0.50 -0.69 0.00 0.00 178.15 178.05 1pwp h LYS 771 N -1.27 0.74 0.00 2.37 3.64 -1.01 0.24 116.57 121.28 1pwp h LYS 771 Ca -0.12 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1pwp h LYS 771 Cb 0.99 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1pwp h LYS 771 CO 0.17 0.49 0.00 0.34 -2.27 0.00 0.00 179.45 178.18 1pwp n PHE 772 N -4.48 0.00 -0.25 1.91 7.35 0.18 -1.81 117.46 120.36 1pwp n PHE 772 Ca 0.11 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.84 1pwp n PHE 772 Cb 0.22 -0.48 0.14 0.00 0.35 0.00 0.00 39.48 39.71 1pwp n PHE 772 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1pwp h ILE 773 N 0.00 0.34 -0.40 -2.13 2.04 -0.44 -0.48 117.51 116.43 1pwp h ILE 773 Ca 0.00 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 65.91 1pwp h ILE 773 Cb 0.00 0.24 -0.08 0.00 -0.74 0.00 0.00 36.82 36.24 1pwp h ILE 773 CO 0.00 0.02 -0.14 0.40 0.00 0.00 0.00 178.15 178.42 1pwp h ILE 774 N 0.09 0.51 0.12 -0.67 1.08 -0.44 -3.24 117.51 114.95 1pwp h ILE 774 Ca 0.40 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.86 1pwp h ILE 774 Cb 0.69 0.51 0.00 0.00 -3.07 0.00 0.00 36.82 34.95 1pwp h ILE 774 CO -0.67 0.00 -0.06 0.78 -0.69 0.00 0.00 178.15 177.51 1pwp h ASN 775 N -0.06 -0.13 0.00 1.72 2.35 -0.52 -3.49 115.58 115.45 1pwp h ASN 775 Ca 0.20 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1pwp h ASN 775 Cb 0.36 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1pwp h ASN 775 CO -0.45 0.44 0.00 -1.20 -1.65 0.00 0.00 177.43 174.57