#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwp n GLN 32 N 0.00 0.00 0.25 -2.82 7.27 -1.26 -3.42 117.38 117.40 1pwp n GLN 32 Ca 0.00 0.32 0.12 0.00 0.07 0.00 0.00 57.00 57.51 1pwp n GLN 32 Cb 0.00 -1.05 0.49 0.00 2.41 0.00 0.00 30.24 32.08 1pwp n GLN 32 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1pwp h GLU 33 N 0.00 0.00 0.67 3.69 4.81 -2.04 0.32 114.58 122.03 1pwp h GLU 33 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1pwp h GLU 33 Cb 0.00 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.39 1pwp h GLU 33 CO 0.00 0.00 -0.32 1.49 -0.73 0.00 0.00 179.01 179.45 1pwp h GLU 34 N 0.00 -0.86 0.00 1.92 4.22 -2.00 -2.94 114.58 114.92 1pwp h GLU 34 Ca 0.07 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.57 1pwp h GLU 34 Cb 1.41 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.86 1pwp h GLU 34 CO -0.00 -0.57 -0.92 0.45 -2.18 0.00 0.00 179.01 175.79 1pwp h HIS 35 N -0.97 0.00 0.00 0.92 3.86 -1.30 -3.27 115.15 114.38 1pwp h HIS 35 Ca -0.09 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1pwp h HIS 35 Cb 0.68 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.15 1pwp h HIS 35 CO 0.05 0.00 -0.02 1.25 0.86 0.00 0.00 177.93 180.08 1pwp h LEU 36 N 0.00 0.00 0.00 2.43 5.85 -0.49 0.24 115.31 123.34 1pwp h LEU 36 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1pwp h LEU 36 Cb 0.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.98 1pwp h LEU 36 CO 0.00 0.02 -0.98 0.29 -0.34 0.00 0.00 178.44 177.42 1pwp n LYS 37 N -3.24 0.45 -0.03 1.25 4.76 -1.11 -3.46 118.16 116.79 1pwp n LYS 37 Ca -0.02 0.06 -0.19 0.00 -2.87 0.00 0.00 58.31 55.29 1pwp n LYS 37 Cb 0.14 -1.72 -0.13 0.00 -1.84 0.00 0.00 35.03 31.48 1pwp n LYS 37 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1pwp h GLU 38 N 0.00 0.14 -0.87 1.97 4.57 -0.75 0.16 114.58 119.81 1pwp h GLU 38 Ca 0.00 -0.25 0.13 0.00 -1.18 0.00 0.00 59.36 58.06 1pwp h GLU 38 Cb 0.87 0.09 -0.09 0.00 -0.16 0.00 0.00 28.75 29.47 1pwp h GLU 38 CO 0.00 1.12 0.48 0.82 -1.18 0.00 0.00 179.01 180.25 1pwp h ILE 39 N -0.63 0.80 -0.16 2.32 5.03 -0.96 0.70 117.51 124.61 1pwp h ILE 39 Ca -0.20 -0.25 -0.21 0.00 -0.12 0.00 0.00 64.86 64.09 1pwp h ILE 39 Cb 1.45 0.01 0.00 0.00 -3.03 0.00 0.00 36.82 35.26 1pwp h ILE 39 CO 0.01 0.13 -0.72 0.24 -0.68 0.00 0.00 178.15 177.13 1pwp h MET 40 N 0.72 0.72 0.00 2.37 2.86 -1.63 0.12 114.93 120.09 1pwp h MET 40 Ca 0.46 -0.55 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1pwp h MET 40 Cb 0.57 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1pwp h MET 40 CO -0.32 1.17 0.00 1.17 1.06 0.00 0.00 176.91 179.99 1pwp n LYS 41 N -3.93 0.00 -0.03 1.72 4.81 0.57 -0.14 118.16 121.17 1pwp n LYS 41 Ca -0.06 0.37 -0.03 0.00 -0.87 0.00 0.00 58.31 57.72 1pwp n LYS 41 Cb 0.71 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 34.23 1pwp n LYS 41 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1pwp n HIS 42 N -1.50 0.00 -0.06 5.64 -0.00 0.01 -4.80 115.22 114.51 1pwp n HIS 42 Ca 0.02 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.17 1pwp n HIS 42 Cb 0.09 -0.23 -0.15 0.00 -0.12 0.00 0.00 29.99 29.58 1pwp n HIS 42 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 1pwp n ILE 43 N -2.35 0.82 -2.98 3.57 -5.35 0.41 -4.89 119.36 108.59 1pwp n ILE 43 Ca -0.09 -0.66 -0.43 0.00 -0.27 0.00 0.00 62.75 61.31 1pwp n ILE 43 Cb 0.64 -0.33 -0.05 0.00 -1.74 0.00 0.00 39.64 38.15 1pwp n ILE 43 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1pwp s VAL 44 N -2.74 4.71 -0.27 7.28 1.01 0.80 0.95 120.40 132.13 1pwp s VAL 44 Ca -0.08 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1pwp s VAL 44 Cb 0.08 -4.25 0.05 0.00 0.00 0.00 0.00 36.38 32.26 1pwp s VAL 44 CO 0.76 -0.56 -0.06 -0.54 0.00 0.00 0.00 175.10 174.70 1pwp s LYS 45 N 3.15 2.42 -0.81 2.72 1.02 0.12 -4.70 119.74 123.67 1pwp s LYS 45 Ca 0.30 -1.25 -0.24 0.00 0.02 0.00 0.00 55.97 54.80 1pwp s LYS 45 Cb -0.13 -3.02 0.05 0.00 -0.52 0.00 0.00 37.83 34.21 1pwp s LYS 45 CO 0.19 -0.56 1.24 0.42 -0.92 0.00 0.00 175.35 175.72 1pwp s ILE 46 N 1.20 4.01 -0.69 2.17 -1.09 -1.26 -1.71 121.20 123.82 1pwp s ILE 46 Ca -0.06 -0.25 0.03 0.00 -2.23 0.00 0.00 60.65 58.14 1pwp s ILE 46 Cb -0.19 -4.89 0.34 0.00 -1.58 0.00 0.00 42.46 36.14 1pwp s ILE 46 CO -0.03 -1.75 1.20 -0.62 -1.23 0.00 0.00 174.94 172.50 1pwp n GLU 47 N 8.60 3.82 -1.59 2.79 1.02 -0.56 -4.98 120.64 129.74 1pwp n GLU 47 Ca 0.11 -4.79 -0.14 0.00 -0.02 0.00 0.00 57.16 52.33 1pwp n GLU 47 Cb 0.49 -2.30 0.08 0.00 -0.02 0.00 0.00 31.44 29.68 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 -0.21 0.00 -0.07 2.62 0.24 -1.25 -4.53 118.33 115.13 1pwp n VAL 48 Ca 0.36 -0.82 -0.15 0.00 -2.04 0.00 0.00 64.34 61.68 1pwp n VAL 48 Cb 0.36 -1.23 -0.05 0.00 -1.47 0.00 0.00 33.84 31.46 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 -2.15 0.34 -0.48 7.34 4.76 -1.26 -4.94 118.16 121.76 1pwp n LYS 49 Ca 0.09 0.15 -0.29 0.00 -2.87 0.00 0.00 58.31 55.39 1pwp n LYS 49 Cb 0.33 -1.07 0.27 0.00 -1.84 0.00 0.00 35.03 32.72 1pwp n LYS 49 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1pwp s GLY 50 N -5.16 1.49 -0.17 0.72 0.00 -1.26 -4.86 107.32 98.08 1pwp s GLY 50 Ca -0.22 -0.43 -0.29 0.00 0.00 0.00 0.00 44.72 43.78 1pwp s GLY 50 CO 0.28 0.41 1.72 1.85 0.00 0.00 0.00 173.10 177.37 1pwp s GLU 51 N -4.71 3.81 -0.89 2.90 -6.30 -1.26 -4.90 118.70 107.36 1pwp s GLU 51 Ca 0.69 1.87 -0.25 0.00 -2.50 0.00 0.00 54.97 54.78 1pwp s GLU 51 Cb -0.20 -4.08 -0.05 0.00 0.00 0.00 0.00 34.13 29.80 1pwp s GLU 51 CO 0.62 -1.29 1.95 -1.83 0.02 0.00 0.00 175.26 174.73 1pwp s GLU 52 N 4.75 2.55 0.00 4.30 -1.05 -1.26 -4.61 118.70 123.38 1pwp s GLU 52 Ca 0.77 -0.24 0.00 0.00 -0.15 0.00 0.00 54.97 55.34 1pwp s GLU 52 Cb -0.29 -5.03 0.00 0.00 -0.44 0.00 0.00 34.13 28.37 1pwp s GLU 52 CO 0.31 -3.36 0.00 0.00 0.95 0.00 0.00 175.26 173.16 1pwp n ALA 53 N 13.95 1.17 0.60 -0.84 0.00 -1.26 -4.70 120.51 129.43 1pwp n ALA 53 Ca 0.39 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.93 1pwp n ALA 53 Cb 0.47 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.34 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 -0.17 0.73 0.06 0.00 0.31 -1.26 -2.03 118.33 115.96 1pwp n VAL 54 Ca 0.00 0.15 -0.13 0.00 -0.01 0.00 0.00 64.34 64.36 1pwp n VAL 54 Cb 0.00 -0.89 -0.08 0.00 -0.91 0.00 0.00 33.84 31.96 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 0.00 -0.09 -0.03 5.55 1.79 -1.87 0.67 116.57 122.59 1pwp h LYS 55 Ca 0.00 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 1pwp h LYS 55 Cb 0.36 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1pwp h LYS 55 CO 0.00 0.07 -0.05 -0.22 -1.08 0.00 0.00 179.45 178.17 1pwp h LYS 56 N -0.24 0.08 -0.82 3.15 3.64 -1.76 -2.92 116.57 117.71 1pwp h LYS 56 Ca -0.01 -0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.47 1pwp h LYS 56 Cb 0.20 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.97 1pwp h LYS 56 CO 0.02 0.60 0.54 1.49 -2.27 0.00 0.00 179.45 179.83 1pwp h GLU 57 N -0.43 0.49 0.01 1.90 4.57 -1.37 -2.27 114.58 117.48 1pwp h GLU 57 Ca 0.00 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1pwp h GLU 57 Cb 0.59 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1pwp h GLU 57 CO 0.01 0.32 -0.01 0.00 -1.18 0.00 0.00 179.01 178.16 1pwp h ALA 58 N 1.63 -0.98 -1.04 2.92 0.00 0.51 -3.14 119.26 119.15 1pwp h ALA 58 Ca 0.41 -0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.61 1pwp h ALA 58 Cb 0.85 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.52 1pwp h ALA 58 CO -0.15 -0.98 0.62 0.00 0.00 0.00 0.00 179.25 178.73 1pwp h ALA 59 N -1.99 2.02 0.00 0.00 0.00 -1.37 0.44 119.26 118.36 1pwp h ALA 59 Ca -0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1pwp h ALA 59 Cb 0.02 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1pwp h ALA 59 CO 0.00 -0.56 0.00 0.39 0.00 0.00 0.00 179.25 179.09 1pwp n GLU 60 N -4.90 0.75 0.00 0.00 1.02 -0.87 -1.05 120.64 115.59 1pwp n GLU 60 Ca 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1pwp n GLU 60 Cb 0.93 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 31.05 1pwp n GLU 60 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1pwp n LYS 61 N 0.26 3.48 0.03 3.49 0.00 0.15 -4.35 118.16 121.22 1pwp n LYS 61 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 58.31 58.11 1pwp n LYS 61 Cb 0.24 -0.65 -0.14 0.00 0.00 0.00 0.00 35.03 34.47 1pwp n LYS 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1pwp h LEU 62 N 0.00 0.42 -0.03 3.14 5.85 -0.76 -3.37 115.31 120.56 1pwp h LEU 62 Ca 0.00 -0.93 -0.18 0.00 0.84 0.00 0.00 57.88 57.61 1pwp h LEU 62 Cb 0.07 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 40.98 1pwp h LEU 62 CO 0.00 1.42 -0.68 -0.07 -0.34 0.00 0.00 178.44 178.77 1pwp h LEU 63 N -0.41 0.64 -0.82 2.25 3.38 -1.38 -3.29 115.31 115.68 1pwp h LEU 63 Ca -0.17 -0.73 0.24 0.00 0.09 0.00 0.00 57.88 57.31 1pwp h LEU 63 Cb 1.62 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 1pwp h LEU 63 CO 0.12 1.28 1.18 1.21 0.09 0.00 0.00 178.44 182.32 1pwp n GLU 64 N -4.14 0.02 0.06 1.13 2.13 -1.26 0.15 120.64 118.73 1pwp n GLU 64 Ca -0.10 1.01 0.12 0.00 0.66 0.00 0.00 57.16 58.85 1pwp n GLU 64 Cb 0.70 -2.55 0.48 0.00 0.27 0.00 0.00 31.44 30.35 1pwp n GLU 64 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1pwp n LYS 65 N -3.09 0.13 -3.16 5.31 4.76 -1.24 -4.79 118.16 116.09 1pwp n LYS 65 Ca 0.19 0.17 -0.39 0.00 -2.87 0.00 0.00 58.31 55.41 1pwp n LYS 65 Cb 1.43 -1.67 -0.05 0.00 -1.84 0.00 0.00 35.03 32.89 1pwp n LYS 65 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1pwp s VAL 66 N -3.08 5.03 -0.01 -0.18 1.01 0.39 -4.97 120.40 118.58 1pwp s VAL 66 Ca 0.10 1.27 -0.37 0.00 0.00 0.00 0.00 61.98 62.98 1pwp s VAL 66 Cb 0.14 -3.95 -0.16 0.00 0.00 0.00 0.00 36.38 32.40 1pwp s VAL 66 CO 0.50 0.33 1.48 -2.65 0.00 0.00 0.00 175.10 174.76 1pwp n PRO 67 N 3.39 1.24 -0.27 2.72 -0.02 -1.26 -4.79 135.00 136.00 1pwp n PRO 67 Ca -0.04 0.45 0.08 0.00 -2.02 0.00 0.00 63.50 61.96 1pwp n PRO 67 Cb 0.51 -2.12 0.21 0.00 -0.02 0.00 0.00 33.50 32.09 1pwp n PRO 67 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1pwp h SER 68 N 5.47 0.11 -0.46 2.55 0.87 -1.94 0.60 113.55 120.74 1pwp h SER 68 Ca -0.47 0.15 0.13 0.00 -1.23 0.00 0.00 61.79 60.37 1pwp h SER 68 Cb 1.32 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 63.44 1pwp h SER 68 CO 0.84 -0.02 0.49 0.44 -0.53 0.00 0.00 176.83 178.04 1pwp h ASP 69 N 0.32 0.00 -0.22 6.23 3.32 -1.97 -0.70 116.42 123.39 1pwp h ASP 69 Ca 0.45 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.37 1pwp h ASP 69 Cb 0.79 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 1pwp h ASP 69 CO -0.51 0.00 -0.38 0.58 -1.72 0.00 0.00 179.24 177.21 1pwp h VAL 70 N 0.00 1.32 -0.27 -1.35 2.07 -1.21 -1.67 116.25 115.14 1pwp h VAL 70 Ca 0.22 -1.59 -0.13 0.00 0.82 0.00 0.00 66.70 66.02 1pwp h VAL 70 Cb 1.19 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 1pwp h VAL 70 CO -0.00 0.50 -0.38 -0.07 0.02 0.00 0.00 177.57 177.64 1pwp h LEU 71 N 0.35 0.65 -0.92 2.57 3.38 -1.24 -1.47 115.31 118.63 1pwp h LEU 71 Ca 0.02 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.73 1pwp h LEU 71 Cb 0.97 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 1pwp h LEU 71 CO 0.09 0.96 0.61 -0.08 0.09 0.00 0.00 178.44 180.10 1pwp h GLU 72 N 0.51 1.18 -0.13 1.13 4.22 -1.19 -1.79 114.58 118.50 1pwp h GLU 72 Ca 0.05 -0.07 -0.06 0.00 0.08 0.00 0.00 59.36 59.36 1pwp h GLU 72 Cb 0.88 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1pwp h GLU 72 CO 0.08 0.78 -0.14 0.52 -2.18 0.00 0.00 179.01 178.07 1pwp h MET 73 N 1.21 0.32 -0.98 1.92 2.86 -1.04 -2.61 114.93 116.62 1pwp h MET 73 Ca 0.35 -0.17 0.20 0.00 -2.06 0.00 0.00 59.70 58.02 1pwp h MET 73 Cb -0.08 0.01 -0.09 0.00 0.06 0.00 0.00 31.60 31.50 1pwp h MET 73 CO -0.09 0.72 0.62 -0.92 1.06 0.00 0.00 176.91 178.30 1pwp h TYR 74 N -0.06 0.85 -0.18 -0.22 3.20 -0.95 0.14 116.97 119.75 1pwp h TYR 74 Ca 0.02 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 1pwp h TYR 74 Cb 0.67 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 1pwp h TYR 74 CO 0.09 0.19 -0.03 -0.22 -1.64 0.00 0.00 178.16 176.54 1pwp h LYS 75 N 0.60 0.34 -0.64 1.82 3.64 -1.22 -1.42 116.57 119.70 1pwp h LYS 75 Ca 0.55 -0.13 0.06 0.00 -1.27 0.00 0.00 60.65 59.86 1pwp h LYS 75 Cb 1.06 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 1pwp h LYS 75 CO -0.30 0.59 0.43 0.00 -2.27 0.00 0.00 179.45 177.90 1pwp h ALA 76 N 0.74 1.77 -0.00 5.00 0.00 -0.41 0.75 119.26 127.10 1pwp h ALA 76 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1pwp h ALA 76 Cb 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1pwp h ALA 76 CO 0.02 0.13 -0.05 -0.89 0.00 0.00 0.00 179.25 178.46 1pwp n ILE 77 N -4.48 0.00 -1.98 0.00 -0.00 -0.22 -4.96 119.36 107.72 1pwp n ILE 77 Ca 0.09 -0.04 -0.01 0.00 -0.00 0.00 0.00 62.75 62.79 1pwp n ILE 77 Cb 0.23 -0.28 -0.01 0.00 -0.00 0.00 0.00 39.64 39.57 1pwp n ILE 77 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1pwp n GLY 78 N 1.22 -3.73 3.20 7.39 0.00 0.26 -4.86 105.19 108.68 1pwp n GLY 78 Ca 0.17 0.33 -0.13 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.46 -0.10 -0.06 -0.02 0.00 -0.63 -3.98 107.32 102.07 1pwp s GLY 79 Ca -0.07 0.20 0.04 0.00 0.00 0.00 0.00 44.72 44.89 1pwp s GLY 79 CO 0.34 0.01 -0.18 0.54 0.00 0.00 0.00 173.10 173.81 1pwp s LYS 80 N -1.35 2.04 -0.26 2.90 -0.14 -0.97 -4.65 119.74 117.30 1pwp s LYS 80 Ca -0.14 -0.63 -0.09 0.00 -1.36 0.00 0.00 55.97 53.75 1pwp s LYS 80 Cb -0.06 -1.69 -0.03 0.00 -1.68 0.00 0.00 37.83 34.37 1pwp s LYS 80 CO 0.04 0.19 0.11 0.42 -0.76 0.00 0.00 175.35 175.35 1pwp s ILE 81 N 0.21 4.60 -0.22 2.17 1.01 0.27 0.38 121.20 129.63 1pwp s ILE 81 Ca -0.09 -0.11 -0.05 0.00 0.00 0.00 0.00 60.65 60.40 1pwp s ILE 81 Cb -0.14 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 1pwp s ILE 81 CO 0.04 0.28 0.01 -0.31 0.00 0.00 0.00 174.94 174.96 1pwp s TYR 82 N 1.65 3.02 -0.46 3.97 4.12 0.40 0.16 117.35 130.22 1pwp s TYR 82 Ca 0.06 -0.60 -0.11 0.00 0.02 0.00 0.00 57.07 56.44 1pwp s TYR 82 Cb -0.16 -2.13 0.10 0.00 -1.52 0.00 0.00 41.96 38.24 1pwp s TYR 82 CO 0.06 -0.37 0.33 0.42 0.02 0.00 0.00 175.55 176.01 1pwp s ILE 83 N 1.33 4.49 0.02 2.71 -1.09 -0.70 -0.82 121.20 127.14 1pwp s ILE 83 Ca 0.04 -1.47 -0.05 0.00 -2.23 0.00 0.00 60.65 56.94 1pwp s ILE 83 Cb -0.15 -3.81 -0.01 0.00 -1.58 0.00 0.00 42.46 36.92 1pwp s ILE 83 CO 0.01 -0.64 0.08 0.54 -1.23 0.00 0.00 174.94 173.70 1pwp s VAL 84 N 1.46 0.11 0.08 2.92 0.11 -1.25 -1.50 120.40 122.33 1pwp s VAL 84 Ca 0.04 -0.87 -0.01 0.00 -2.93 0.00 0.00 61.98 58.21 1pwp s VAL 84 Cb -0.25 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1pwp s VAL 84 CO 0.02 -0.48 0.25 1.51 -3.33 0.00 0.00 175.10 173.07 1pwp s ASP 85 N -1.63 6.39 0.00 3.54 1.47 -1.26 -2.61 116.67 122.57 1pwp s ASP 85 Ca -0.12 0.35 0.00 0.00 1.18 0.00 0.00 52.55 53.96 1pwp s ASP 85 Cb -0.06 -1.99 0.00 0.00 -0.34 0.00 0.00 42.92 40.52 1pwp s ASP 85 CO -0.01 0.14 0.00 0.61 0.68 0.00 0.00 175.17 176.59 1pwp n GLY 86 N 0.23 -1.72 3.56 2.12 0.00 -1.26 -4.82 105.19 103.30 1pwp n GLY 86 Ca -0.04 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.47 1pwp n GLY 86 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pwp n ASP 87 N 0.00 2.44 -0.31 1.61 4.64 -1.26 -4.80 116.55 118.86 1pwp n ASP 87 Ca 0.00 -0.39 0.29 0.00 -1.38 0.00 0.00 54.79 53.31 1pwp n ASP 87 Cb 0.00 -1.57 0.64 0.00 -1.04 0.00 0.00 41.12 39.14 1pwp n ASP 87 CO 0.00 0.00 0.00 0.16 -0.82 0.00 0.00 177.20 176.54 1pwp h ILE 88 N 7.63 0.46 0.00 5.18 3.07 -1.83 1.07 117.51 133.09 1pwp h ILE 88 Ca -0.26 -0.06 -0.02 0.00 1.55 0.00 0.00 64.86 66.07 1pwp h ILE 88 Cb 1.27 0.26 -0.00 0.00 -0.27 0.00 0.00 36.82 38.08 1pwp h ILE 88 CO 1.13 0.03 -0.07 0.74 -1.05 0.00 0.00 178.15 178.93 1pwp h THR 89 N 0.18 0.35 0.00 0.16 2.02 -1.85 -2.22 112.91 111.55 1pwp h THR 89 Ca 0.58 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 67.32 1pwp h THR 89 Cb 1.89 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 1pwp h THR 89 CO -0.15 0.07 0.00 1.17 0.37 0.00 0.00 175.52 176.98 1pwp n LYS 90 N -3.43 0.82 -4.16 6.66 3.00 0.37 -4.13 118.16 117.28 1pwp n LYS 90 Ca -0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.07 1pwp n LYS 90 Cb 0.22 -1.09 -0.06 0.00 0.00 0.00 0.00 35.03 34.10 1pwp n LYS 90 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1pwp s HIS 91 N 0.25 2.85 0.10 5.64 2.46 -0.84 -4.98 115.29 120.77 1pwp s HIS 91 Ca 0.00 -0.22 -0.25 0.00 0.47 0.00 0.00 55.06 55.06 1pwp s HIS 91 Cb 0.00 -1.39 -0.11 0.00 -0.13 0.00 0.00 32.58 30.95 1pwp s HIS 91 CO 0.00 0.50 1.69 0.82 -2.47 0.00 0.00 174.74 175.28 1pwp h ILE 92 N 1.65 0.73 -0.02 0.89 1.08 -1.89 -3.20 117.51 116.74 1pwp h ILE 92 Ca -0.46 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 1pwp h ILE 92 Cb 1.25 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 35.72 1pwp h ILE 92 CO 0.61 0.00 -0.01 -1.54 -0.69 0.00 0.00 178.15 176.52 1pwp n SER 93 N -5.24 2.33 -0.20 1.72 3.41 -1.26 -4.26 113.62 110.11 1pwp n SER 93 Ca -0.07 -1.77 0.11 0.00 -0.26 0.00 0.00 58.87 56.88 1pwp n SER 93 Cb 0.16 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.22 1pwp n SER 93 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1pwp n LEU 94 N 0.82 1.21 0.15 1.04 4.77 -1.21 -4.41 117.00 119.36 1pwp n LEU 94 Ca 0.16 -0.42 0.02 0.00 -0.03 0.00 0.00 56.01 55.74 1pwp n LEU 94 Cb 0.49 -0.08 0.18 0.00 -2.33 0.00 0.00 43.42 41.68 1pwp n LEU 94 CO 0.16 0.25 0.53 -0.08 -1.33 0.00 0.00 177.39 176.91 1pwp h GLU 95 N 1.00 0.00 0.00 3.23 4.57 -1.71 -3.20 114.58 118.46 1pwp h GLU 95 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1pwp h GLU 95 Cb 0.58 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1pwp h GLU 95 CO 0.00 0.54 0.00 0.00 -1.18 0.00 0.00 179.01 178.37 1pwp n ALA 96 N -2.32 1.41 -2.12 2.92 0.00 -1.26 -4.70 120.51 114.44 1pwp n ALA 96 Ca 0.00 -0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1pwp n ALA 96 Cb 0.63 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 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 -2.21 4.40 0.00 0.00 1.43 -1.21 -5.04 118.68 116.05 1pwp s LEU 97 Ca 0.01 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 1pwp s LEU 97 Cb 0.00 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.63 1pwp s LEU 97 CO 0.01 -0.55 0.00 -1.54 0.23 0.00 0.00 176.35 174.50 1pwp n SER 98 N 3.25 0.00 -0.08 2.29 3.41 -1.26 -4.91 113.62 116.32 1pwp n SER 98 Ca 0.08 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.52 1pwp n SER 98 Cb 0.43 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.33 1pwp n SER 98 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pwp n GLU 99 N 0.00 0.39 0.00 4.33 1.02 -1.26 -3.99 120.64 121.13 1pwp n GLU 99 Ca 0.00 0.17 0.09 0.00 -0.02 0.00 0.00 57.16 57.40 1pwp n GLU 99 Cb 0.00 -1.16 0.44 0.00 -0.02 0.00 0.00 31.44 30.70 1pwp n GLU 99 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1pwp n ASP 100 N -3.92 0.00 -0.13 1.62 8.00 -1.26 -0.29 116.55 120.58 1pwp n ASP 100 Ca -0.31 0.15 0.12 0.00 0.71 0.00 0.00 54.79 55.46 1pwp n ASP 100 Cb 0.67 -0.34 0.14 0.00 -0.02 0.00 0.00 41.12 41.57 1pwp n ASP 100 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1pwp n LYS 101 N -1.34 0.36 -0.84 -1.24 4.81 -1.26 -3.84 118.16 114.80 1pwp n LYS 101 Ca 0.07 -0.25 -0.04 0.00 -0.87 0.00 0.00 58.31 57.22 1pwp n LYS 101 Cb 0.16 -1.49 0.19 0.00 0.02 0.00 0.00 35.03 33.91 1pwp n LYS 101 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1pwp n LYS 102 N -1.10 1.88 -3.09 1.64 5.02 0.60 -4.69 118.16 118.42 1pwp n LYS 102 Ca 0.07 -3.27 -0.24 0.00 -2.02 0.00 0.00 58.31 52.85 1pwp n LYS 102 Cb 0.36 -1.81 -0.04 0.00 -0.02 0.00 0.00 35.03 33.52 1pwp n LYS 102 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1pwp n LYS 103 N -1.10 2.26 -2.80 1.97 4.81 -1.18 -3.16 118.16 118.95 1pwp n LYS 103 Ca 0.32 -4.25 -0.33 0.00 -0.87 0.00 0.00 58.31 53.17 1pwp n LYS 103 Cb 0.96 -2.00 -0.07 0.00 0.02 0.00 0.00 35.03 33.94 1pwp n LYS 103 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1pwp s ILE 104 N -3.39 4.35 0.27 3.15 2.07 -1.15 -4.77 121.20 121.73 1pwp s ILE 104 Ca 0.44 1.47 0.08 0.00 -1.41 0.00 0.00 60.65 61.24 1pwp s ILE 104 Cb 0.28 -3.60 -0.04 0.00 0.13 0.00 0.00 42.46 39.23 1pwp s ILE 104 CO -0.11 -0.30 0.09 -0.54 -1.91 0.00 0.00 174.94 172.17 1pwp s LYS 105 N -3.16 2.56 0.54 3.50 1.02 -1.26 -1.30 119.74 121.65 1pwp s LYS 105 Ca 0.62 -1.28 0.09 0.00 0.02 0.00 0.00 55.97 55.42 1pwp s LYS 105 Cb -0.10 -2.33 0.09 0.00 -0.52 0.00 0.00 37.83 34.97 1pwp s LYS 105 CO 0.14 0.35 0.71 -0.40 -0.92 0.00 0.00 175.35 175.23 1pwp n ASP 106 N -1.04 2.07 -0.38 2.83 3.85 -0.98 -4.93 116.55 117.97 1pwp n ASP 106 Ca -0.07 -2.49 0.30 0.00 -0.71 0.00 0.00 54.79 51.82 1pwp n ASP 106 Cb 0.59 -0.35 0.58 0.00 -1.35 0.00 0.00 41.12 40.59 1pwp n ASP 106 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 1pwp h ILE 107 N 0.17 0.33 -0.00 2.12 1.08 -1.92 0.30 117.51 119.59 1pwp h ILE 107 Ca -0.26 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.12 1pwp h ILE 107 Cb 1.18 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 35.00 1pwp h ILE 107 CO 0.38 0.04 -0.48 -1.22 -0.69 0.00 0.00 178.15 176.19 1pwp n TYR 108 N -4.65 0.00 0.00 1.37 4.02 -1.26 -4.95 117.16 111.69 1pwp n TYR 108 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.20 1pwp n TYR 108 Cb 1.15 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 40.21 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 1.50 0.51 3.67 2.72 0.00 0.10 -5.06 105.19 108.62 1pwp n GLY 109 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.74 4.24 0.93 1.61 1.02 -1.26 -4.71 119.74 120.82 1pwp s LYS 110 Ca 0.00 1.95 -0.10 0.00 0.02 0.00 0.00 55.97 57.84 1pwp s LYS 110 Cb 0.00 -3.76 0.15 0.00 -0.52 0.00 0.00 37.83 33.70 1pwp s LYS 110 CO 0.00 -0.70 1.14 -0.51 -0.92 0.00 0.00 175.35 174.37 1pwp s ASP 111 N 2.38 2.79 0.10 2.83 1.01 -1.26 -2.33 116.67 122.19 1pwp s ASP 111 Ca 0.64 2.18 -0.26 0.00 0.71 0.00 0.00 52.55 55.82 1pwp s ASP 111 Cb -0.29 -2.56 0.08 0.00 1.01 0.00 0.00 42.92 41.15 1pwp s ASP 111 CO 0.24 -3.19 1.02 0.00 0.21 0.00 0.00 175.17 173.45 1pwp s ALA 112 N -2.64 -1.78 -0.38 5.23 0.00 -0.42 -4.87 121.76 116.90 1pwp s ALA 112 Ca 0.67 0.33 -0.11 0.00 0.00 0.00 0.00 51.96 52.85 1pwp s ALA 112 Cb -0.23 0.56 0.03 0.00 0.00 0.00 0.00 23.12 23.47 1pwp s ALA 112 CO 0.58 -1.01 0.22 -0.51 0.00 0.00 0.00 175.76 175.04 1pwp s LEU 113 N -2.90 4.77 0.39 0.00 2.01 -1.26 -2.91 118.68 118.78 1pwp s LEU 113 Ca 0.12 -0.98 0.23 0.00 0.01 0.00 0.00 54.13 53.51 1pwp s LEU 113 Cb -0.00 -2.04 1.28 0.00 0.01 0.00 0.00 46.19 45.44 1pwp s LEU 113 CO 0.00 -0.39 1.64 0.25 1.01 0.00 0.00 176.35 178.85 1pwp h LEU 114 N 8.46 0.36 -0.71 1.79 6.46 -1.83 0.18 115.31 130.02 1pwp h LEU 114 Ca -0.26 0.17 0.16 0.00 -0.12 0.00 0.00 57.88 57.84 1pwp h LEU 114 Cb 1.11 0.15 -0.12 0.00 -0.73 0.00 0.00 40.66 41.07 1pwp h LEU 114 CO 0.68 -0.20 0.05 -0.74 -0.62 0.00 0.00 178.44 177.60 1pwp h HIS 115 N 0.16 0.04 -0.02 1.25 2.76 -1.93 -1.79 115.15 115.62 1pwp h HIS 115 Ca 0.78 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 59.00 1pwp h HIS 115 Cb 2.16 0.10 0.00 0.00 1.55 0.00 0.00 27.41 31.21 1pwp h HIS 115 CO -0.01 -0.18 -0.19 -0.85 -1.30 0.00 0.00 177.93 175.40 1pwp n GLU 116 N -5.28 1.60 -1.55 5.26 0.28 0.61 -4.23 120.64 117.32 1pwp n GLU 116 Ca 0.13 -1.20 -0.29 0.00 -0.16 0.00 0.00 57.16 55.64 1pwp n GLU 116 Cb 0.44 -1.48 0.17 0.00 1.43 0.00 0.00 31.44 32.00 1pwp n GLU 116 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1pwp s HIS 117 N -2.23 1.93 -2.10 -1.84 2.46 -0.67 -5.01 115.29 107.82 1pwp s HIS 117 Ca 0.27 0.66 0.18 0.00 0.47 0.00 0.00 55.06 56.64 1pwp s HIS 117 Cb 0.20 -3.57 0.26 0.00 -0.13 0.00 0.00 32.58 29.34 1pwp s HIS 117 CO 0.43 -2.71 1.19 2.48 -2.47 0.00 0.00 174.74 173.66 1pwp n TYR 118 N -3.95 0.24 -3.61 3.88 4.11 -1.26 -4.65 117.16 111.92 1pwp n TYR 118 Ca 0.10 -0.15 -0.10 0.00 -0.00 0.00 0.00 57.90 57.74 1pwp n TYR 118 Cb 0.59 -0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.87 1pwp n TYR 118 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1pwp s VAL 119 N -1.39 0.00 0.04 -3.48 0.11 -1.26 -1.35 120.40 113.08 1pwp s VAL 119 Ca 0.27 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.06 1pwp s VAL 119 Cb 0.17 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 34.08 1pwp s VAL 119 CO 0.24 0.00 0.60 -0.47 -3.33 0.00 0.00 175.10 172.14 1pwp s TYR 120 N -0.38 -0.54 -0.18 1.54 5.04 0.30 -5.00 117.35 118.14 1pwp s TYR 120 Ca 0.00 0.68 -0.03 0.00 -2.44 0.00 0.00 57.07 55.29 1pwp s TYR 120 Cb -0.03 0.42 0.06 0.00 0.35 0.00 0.00 41.96 42.76 1pwp s TYR 120 CO -0.02 -0.68 0.03 0.00 -1.34 0.00 0.00 175.55 173.54 1pwp s ALA 121 N -2.29 0.95 0.01 3.97 0.00 -1.26 0.70 121.76 123.85 1pwp s ALA 121 Ca -0.06 -0.62 -0.30 0.00 0.00 0.00 0.00 51.96 50.98 1pwp s ALA 121 Cb -0.01 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 1pwp s ALA 121 CO -0.00 -1.09 1.27 0.21 0.00 0.00 0.00 175.76 176.15 1pwp s LYS 122 N 1.88 4.36 0.00 0.00 2.20 -0.56 -4.94 119.74 122.68 1pwp s LYS 122 Ca -0.00 1.81 0.00 0.00 -0.36 0.00 0.00 55.97 57.42 1pwp s LYS 122 Cb -0.16 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 1pwp s LYS 122 CO -0.08 -0.41 0.00 -1.91 -0.36 0.00 0.00 175.35 172.59 1pwp n GLU 123 N 4.72 -0.46 0.00 4.03 2.13 -1.26 -3.63 120.64 126.17 1pwp n GLU 123 Ca 0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.93 1pwp n GLU 123 Cb 0.45 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.16 1pwp n GLU 123 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pwp n GLY 124 N 3.31 -2.85 2.37 8.31 0.00 -1.26 -4.52 105.19 110.56 1pwp n GLY 124 Ca 0.00 -1.79 -0.25 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.36 1.65 -2.68 1.61 0.18 -1.26 -3.91 117.16 112.39 1pwp n TYR 125 Ca 0.00 -1.98 -0.06 0.00 1.88 0.00 0.00 57.90 57.74 1pwp n TYR 125 Cb 0.00 -1.30 0.07 0.00 -0.38 0.00 0.00 39.34 37.73 1pwp n TYR 125 CO 0.00 0.00 0.00 -1.91 -2.08 0.00 0.00 176.86 172.87 1pwp n GLU 126 N 0.70 0.67 -1.52 -3.48 4.07 -1.26 -5.16 120.64 114.67 1pwp n GLU 126 Ca 0.46 -1.28 -0.47 0.00 -0.06 0.00 0.00 57.16 55.80 1pwp n GLU 126 Cb 0.56 -0.17 -0.03 0.00 -0.06 0.00 0.00 31.44 31.74 1pwp n GLU 126 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1pwp n PRO 127 N -0.32 0.79 -3.66 5.31 -0.02 -1.25 -4.96 135.00 130.89 1pwp n PRO 127 Ca -0.11 0.28 -0.10 0.00 -2.02 0.00 0.00 63.50 61.54 1pwp n PRO 127 Cb 0.74 -1.56 -0.08 0.00 -0.02 0.00 0.00 33.50 32.58 1pwp n PRO 127 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1pwp s VAL 128 N -0.79 -0.01 -0.25 -1.45 -7.23 -1.24 -2.30 120.40 107.14 1pwp s VAL 128 Ca 0.65 0.02 -0.03 0.00 -1.81 0.00 0.00 61.98 60.81 1pwp s VAL 128 Cb -0.84 -0.88 0.01 0.00 0.56 0.00 0.00 36.38 35.23 1pwp s VAL 128 CO 0.57 0.01 -0.03 -0.22 -0.31 0.00 0.00 175.10 175.11 1pwp s LEU 129 N 1.11 3.19 -0.26 1.32 0.20 0.16 -1.50 118.68 122.90 1pwp s LEU 129 Ca -0.06 -0.67 -0.03 0.00 0.69 0.00 0.00 54.13 54.05 1pwp s LEU 129 Cb -0.05 -1.73 0.02 0.00 -0.43 0.00 0.00 46.19 44.00 1pwp s LEU 129 CO -0.11 -0.10 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.14 1pwp s VAL 130 N 1.41 3.17 0.02 1.68 1.01 0.22 0.15 120.40 128.07 1pwp s VAL 130 Ca 0.03 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1pwp s VAL 130 Cb -0.16 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1pwp s VAL 130 CO -0.03 0.17 0.02 -0.38 0.00 0.00 0.00 175.10 174.89 1pwp n ILE 131 N 4.72 0.00 -3.28 2.22 5.41 -0.00 -0.53 119.36 127.89 1pwp n ILE 131 Ca -0.16 -0.08 -0.25 0.00 1.00 0.00 0.00 62.75 63.26 1pwp n ILE 131 Cb 0.47 -0.70 -0.08 0.00 -0.71 0.00 0.00 39.64 38.63 1pwp n ILE 131 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1pwp n GLN 132 N -0.77 1.18 0.00 0.38 7.27 -0.45 -3.78 117.38 121.21 1pwp n GLN 132 Ca 0.00 -3.63 0.00 0.00 0.07 0.00 0.00 57.00 53.44 1pwp n GLN 132 Cb 0.02 -1.55 0.00 0.00 2.41 0.00 0.00 30.24 31.13 1pwp n GLN 132 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1pwp n SER 133 N 1.38 0.00 -0.82 1.69 3.41 -1.07 -4.82 113.62 113.38 1pwp n SER 133 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1pwp n SER 133 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1pwp n SER 133 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1pwp n SER 134 N 0.00 0.00 -0.23 4.04 7.64 -1.26 -4.80 113.62 119.01 1pwp n SER 134 Ca 0.00 -0.82 0.00 0.00 1.01 0.00 0.00 58.87 59.06 1pwp n SER 134 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1pwp n SER 134 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1pwp n GLU 135 N 0.00 0.00 0.20 1.43 4.71 -1.26 -4.67 120.64 121.05 1pwp n GLU 135 Ca 0.00 -0.70 0.07 0.00 -0.01 0.00 0.00 57.16 56.52 1pwp n GLU 135 Cb 0.00 -0.48 0.40 0.00 -1.01 0.00 0.00 31.44 30.35 1pwp n GLU 135 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1pwp h ASP 136 N 0.00 0.00 -0.98 1.62 5.19 -1.96 -2.21 116.42 118.09 1pwp h ASP 136 Ca 0.00 0.00 0.13 0.00 -0.62 0.00 0.00 57.03 56.54 1pwp h ASP 136 Cb 1.18 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.60 1pwp h ASP 136 CO 0.00 0.32 0.62 1.88 -3.12 0.00 0.00 179.24 178.94 1pwp h TYR 137 N 0.00 1.07 0.00 4.55 0.99 -1.86 0.53 116.97 122.26 1pwp h TYR 137 Ca -0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1pwp h TYR 137 Cb 0.79 -0.34 0.00 0.00 1.00 0.00 0.00 36.73 38.18 1pwp h TYR 137 CO 0.00 0.41 0.00 0.28 -0.00 0.00 0.00 178.16 178.85 1pwp n VAL 138 N -4.61 0.00 0.05 -2.88 0.31 -0.83 -4.26 118.33 106.11 1pwp n VAL 138 Ca 0.19 0.89 -0.12 0.00 -0.01 0.00 0.00 64.34 65.29 1pwp n VAL 138 Cb 0.39 -1.72 -0.09 0.00 -0.91 0.00 0.00 33.84 31.51 1pwp n VAL 138 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1pwp h GLU 139 N 0.00 -0.18 -5.69 5.55 9.09 -1.66 -3.41 114.58 118.27 1pwp h GLU 139 Ca 0.00 0.01 -0.41 0.00 0.05 0.00 0.00 59.36 59.02 1pwp h GLU 139 Cb 0.00 0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.13 1pwp h GLU 139 CO 0.00 0.25 1.31 1.21 0.05 0.00 0.00 179.01 181.83 1pwp s ASN 140 N -5.47 4.64 0.07 3.06 3.84 0.18 -4.81 114.94 116.45 1pwp s ASN 140 Ca -0.14 0.64 0.25 0.00 0.21 0.00 0.00 52.86 53.82 1pwp s ASN 140 Cb 0.01 -2.52 0.99 0.00 -0.55 0.00 0.00 41.25 39.18 1pwp s ASN 140 CO 0.55 -2.86 1.77 0.35 -2.79 0.00 0.00 177.10 174.13 1pwp n THR 141 N 7.87 0.43 0.10 -5.21 -2.24 -1.26 -3.30 114.28 110.66 1pwp n THR 141 Ca 0.34 0.02 0.02 0.00 -2.27 0.00 0.00 64.05 62.15 1pwp n THR 141 Cb 0.52 -0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 68.04 1pwp n THR 141 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1pwp h GLU 142 N 0.00 0.00 0.00 -0.78 4.81 -1.92 -2.80 114.58 113.89 1pwp h GLU 142 Ca 0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1pwp h GLU 142 Cb 0.48 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1pwp h GLU 142 CO 0.00 0.41 -0.43 0.87 -0.73 0.00 0.00 179.01 179.13 1pwp h LYS 143 N 0.00 0.00 0.03 1.92 1.57 -1.88 -3.05 116.57 115.16 1pwp h LYS 143 Ca -0.06 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.55 1pwp h LYS 143 Cb 1.45 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.78 1pwp h LYS 143 CO 0.06 0.43 -0.66 0.00 -0.57 0.00 0.00 179.45 178.71 1pwp h ALA 144 N 1.57 0.04 -0.40 3.86 0.00 -1.63 -2.96 119.26 119.74 1pwp h ALA 144 Ca -0.00 -0.60 0.10 0.00 0.00 0.00 0.00 54.91 54.41 1pwp h ALA 144 Cb 1.33 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1pwp h ALA 144 CO 0.06 0.37 0.28 1.25 0.00 0.00 0.00 179.25 181.20 1pwp h LEU 145 N -0.14 0.08 0.00 0.00 7.12 -1.53 -1.26 115.31 119.57 1pwp h LEU 145 Ca -0.09 0.00 -0.18 0.00 0.13 0.00 0.00 57.88 57.74 1pwp h LEU 145 Cb 1.39 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 41.48 1pwp h LEU 145 CO 0.13 0.05 -0.97 0.78 -0.13 0.00 0.00 178.44 178.29 1pwp h ASN 146 N 0.09 0.00 -0.08 1.25 2.35 -1.51 -2.65 115.58 115.02 1pwp h ASN 146 Ca 0.19 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.79 1pwp h ASN 146 Cb 0.63 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.00 1pwp h ASN 146 CO -0.02 0.81 -0.51 0.58 -1.65 0.00 0.00 177.43 176.64 1pwp h VAL 147 N 0.00 1.38 -0.72 2.81 2.07 -1.10 -2.55 116.25 118.14 1pwp h VAL 147 Ca -0.06 -1.87 -0.03 0.00 0.82 0.00 0.00 66.70 65.57 1pwp h VAL 147 Cb 1.67 2.27 -0.03 0.00 -1.52 0.00 0.00 31.29 33.68 1pwp h VAL 147 CO 0.10 0.56 0.33 1.88 0.02 0.00 0.00 177.57 180.45 1pwp h TYR 148 N 0.07 1.03 -0.13 1.57 0.99 -1.38 -0.47 116.97 118.65 1pwp h TYR 148 Ca -0.04 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.62 1pwp h TYR 148 Cb 1.17 -0.32 -0.01 0.00 1.00 0.00 0.00 36.73 38.57 1pwp h TYR 148 CO 0.12 0.76 0.01 -0.92 -0.00 0.00 0.00 178.16 178.14 1pwp h TYR 149 N 1.02 0.18 -0.07 4.88 3.20 -1.42 0.78 116.97 125.53 1pwp h TYR 149 Ca 0.25 -0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.87 1pwp h TYR 149 Cb 0.13 -0.06 0.02 0.00 1.54 0.00 0.00 36.73 38.36 1pwp h TYR 149 CO 0.01 0.18 -0.92 1.49 -1.64 0.00 0.00 178.16 177.29 1pwp h GLU 150 N 0.18 0.74 -0.59 1.82 4.57 -0.71 -1.96 114.58 118.64 1pwp h GLU 150 Ca 0.05 -0.70 -0.08 0.00 -1.18 0.00 0.00 59.36 57.44 1pwp h GLU 150 Cb 0.10 0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 1pwp h GLU 150 CO -0.00 1.29 0.04 0.82 -1.18 0.00 0.00 179.01 179.98 1pwp h ILE 151 N 0.46 1.26 -0.20 2.32 2.04 0.13 -1.98 117.51 121.54 1pwp h ILE 151 Ca -0.09 -1.07 -0.03 0.00 1.00 0.00 0.00 64.86 64.67 1pwp h ILE 151 Cb 1.56 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 1pwp h ILE 151 CO 0.18 0.39 0.00 1.23 0.00 0.00 0.00 178.15 179.95 1pwp h GLY 152 N 1.01 0.32 2.00 5.37 0.00 0.63 0.36 103.07 112.77 1pwp h GLY 152 Ca 0.18 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.28 1pwp h GLY 152 CO 0.02 0.15 -0.32 0.50 0.00 0.00 0.00 176.54 176.90 1pwp h LYS 153 N 0.29 0.00 0.01 4.80 1.57 -0.62 -0.73 116.57 121.89 1pwp h LYS 153 Ca 0.07 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1pwp h LYS 153 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1pwp h LYS 153 CO 0.00 0.32 -0.01 0.82 -0.57 0.00 0.00 179.45 180.01 1pwp h ILE 154 N 0.00 1.55 0.01 1.86 2.04 -0.51 -0.85 117.51 121.61 1pwp h ILE 154 Ca -0.00 -1.94 0.02 0.00 1.00 0.00 0.00 64.86 63.94 1pwp h ILE 154 Cb 0.82 2.81 -0.03 0.00 -0.74 0.00 0.00 36.82 39.68 1pwp h ILE 154 CO 0.04 0.48 -0.17 0.25 0.00 0.00 0.00 178.15 178.76 1pwp h LEU 155 N -0.89 -0.48 0.24 1.44 5.85 -1.04 0.40 115.31 120.83 1pwp h LEU 155 Ca -0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1pwp h LEU 155 Cb 0.80 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1pwp h LEU 155 CO 0.00 -0.23 -0.11 -1.28 -0.34 0.00 0.00 178.44 176.48 1pwp h SER 156 N -0.28 -0.27 0.12 1.25 0.87 -1.25 0.57 113.55 114.56 1pwp h SER 156 Ca 0.05 -0.13 -0.34 0.00 -1.23 0.00 0.00 61.79 60.14 1pwp h SER 156 Cb 0.34 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1pwp h SER 156 CO -0.15 -0.02 -1.83 -0.09 -0.53 0.00 0.00 176.83 174.21 1pwp h ARG 157 N -0.52 0.25 0.02 2.24 2.43 -1.14 -3.33 114.38 114.32 1pwp h ARG 157 Ca -0.03 -0.43 -0.32 0.00 -0.81 0.00 0.00 59.98 58.39 1pwp h ARG 157 Cb 0.39 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.05 1pwp h ARG 157 CO 0.05 1.20 -1.90 -0.25 -1.51 0.00 0.00 179.97 177.57 1pwp n ASP 158 N -3.66 0.96 -0.08 -3.80 10.43 0.67 -4.35 116.55 116.73 1pwp n ASP 158 Ca -0.30 0.29 -0.07 0.00 2.57 0.00 0.00 54.79 57.28 1pwp n ASP 158 Cb 0.99 -0.03 -0.02 0.00 1.84 0.00 0.00 41.12 43.90 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 -3.07 1.46 0.28 0.53 2.08 0.11 -4.59 119.36 116.16 1pwp n ILE 159 Ca -0.23 0.17 0.17 0.00 0.56 0.00 0.00 62.75 63.42 1pwp n ILE 159 Cb 1.07 -2.37 0.83 0.00 -0.75 0.00 0.00 39.64 38.42 1pwp n ILE 159 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1pwp h LEU 160 N -1.00 0.00 -1.27 1.39 3.38 -0.00 -2.78 115.31 115.03 1pwp h LEU 160 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1pwp h LEU 160 Cb 0.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1pwp h LEU 160 CO -0.00 0.06 -0.08 0.77 0.09 0.00 0.00 178.44 179.28 1pwp h SER 161 N 0.00 0.00 0.51 -0.43 4.64 -1.65 -0.40 113.55 116.23 1pwp h SER 161 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pwp h SER 161 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1pwp h SER 161 CO 0.01 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 176.34 1pwp n LYS 162 N -3.20 0.03 -0.77 4.77 4.76 -1.05 -2.55 118.16 120.15 1pwp n LYS 162 Ca 0.01 0.21 0.05 0.00 -2.87 0.00 0.00 58.31 55.71 1pwp n LYS 162 Cb 0.36 -1.50 0.12 0.00 -1.84 0.00 0.00 35.03 32.17 1pwp n LYS 162 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1pwp n ILE 163 N -1.47 1.25 -3.60 -0.18 -5.35 -0.89 -5.00 119.36 104.12 1pwp n ILE 163 Ca 0.04 -2.05 -0.25 0.00 -0.27 0.00 0.00 62.75 60.23 1pwp n ILE 163 Cb 0.18 0.21 0.07 0.00 -1.74 0.00 0.00 39.64 38.36 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 -0.56 -6.24 -4.32 7.28 5.03 -1.06 -4.90 115.26 110.49 1pwp n ASN 164 Ca 0.12 -0.55 -0.19 0.00 0.87 0.00 0.00 54.58 54.84 1pwp n ASN 164 Cb 0.82 -4.92 -0.10 0.00 -1.02 0.00 0.00 39.78 34.56 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 -6.31 1.27 1.02 3.52 -0.21 -0.21 -4.27 119.66 114.47 1pwp s GLN 165 Ca 0.58 -1.51 -0.14 0.00 0.02 0.00 0.00 55.36 54.31 1pwp s GLN 165 Cb -0.26 -1.10 0.20 0.00 1.00 0.00 0.00 33.01 32.85 1pwp s GLN 165 CO 0.72 0.19 1.12 -1.25 -2.12 0.00 0.00 175.29 173.94 1pwp s PRO 166 N -3.40 0.24 0.00 2.91 0.04 -1.26 -3.05 135.00 130.48 1pwp s PRO 166 Ca 0.19 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1pwp s PRO 166 Cb -0.02 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1pwp s PRO 166 CO 0.06 -2.81 0.00 0.98 0.04 0.00 0.00 177.00 175.27 1pwp n TYR 167 N -4.19 0.00 -0.31 0.56 9.36 -1.26 -5.00 117.16 116.33 1pwp n TYR 167 Ca 0.07 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.39 1pwp n TYR 167 Cb 0.58 0.00 0.26 0.00 -0.63 0.00 0.00 39.34 39.56 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 0.56 -0.13 2.98 5.75 -1.93 -1.97 115.11 120.37 1pwp h GLN 168 Ca 0.00 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.51 1pwp h GLN 168 Cb 0.00 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.38 1pwp h GLN 168 CO 0.00 0.37 -0.13 -0.22 -2.65 0.00 0.00 178.83 176.20 1pwp h LYS 169 N 0.58 -0.15 -0.45 1.69 3.64 -1.96 -1.54 116.57 118.37 1pwp h LYS 169 Ca 0.51 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.77 1pwp h LYS 169 Cb 0.81 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1pwp h LYS 169 CO -0.41 -0.10 -0.21 0.35 -2.27 0.00 0.00 179.45 176.81 1pwp h PHE 170 N -0.15 1.08 -0.38 1.91 3.57 -1.85 -2.61 116.94 118.51 1pwp h PHE 170 Ca 0.09 -0.26 0.11 0.00 3.53 0.00 0.00 57.97 61.44 1pwp h PHE 170 Cb 0.29 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 1pwp h PHE 170 CO -0.25 1.07 0.28 -0.07 -2.23 0.00 0.00 178.31 177.11 1pwp h LEU 171 N 0.78 0.00 -0.48 0.59 3.38 -1.10 0.21 115.31 118.70 1pwp h LEU 171 Ca 0.10 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1pwp h LEU 171 Cb 0.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1pwp h LEU 171 CO 0.06 0.00 -0.13 0.44 0.09 0.00 0.00 178.44 178.90 1pwp h ASP 172 N 0.00 0.94 -0.77 -0.43 3.32 -0.89 -1.71 116.42 116.88 1pwp h ASP 172 Ca 0.18 -0.37 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 1pwp h ASP 172 Cb 0.74 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 1pwp h ASP 172 CO -0.00 1.09 0.39 0.58 -1.72 0.00 0.00 179.24 179.58 1pwp h VAL 173 N 0.78 1.24 -0.55 -1.35 2.07 -0.54 -1.21 116.25 116.70 1pwp h VAL 173 Ca 0.12 -0.66 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 1pwp h VAL 173 Cb 0.69 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1pwp h VAL 173 CO 0.05 0.28 0.04 -0.07 0.02 0.00 0.00 177.57 177.90 1pwp h LEU 174 N 1.09 0.86 -0.62 2.57 3.38 -1.09 -2.53 115.31 118.97 1pwp h LEU 174 Ca 0.27 -0.21 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1pwp h LEU 174 Cb 0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1pwp h LEU 174 CO -0.04 0.90 -0.65 0.78 0.09 0.00 0.00 178.44 179.53 1pwp h ASN 175 N 0.84 0.20 -0.80 -0.43 2.35 -0.92 0.28 115.58 117.11 1pwp h ASN 175 Ca 0.17 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 1pwp h ASN 175 Cb 0.44 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.72 1pwp h ASN 175 CO 0.02 0.79 0.33 0.74 -1.65 0.00 0.00 177.43 177.66 1pwp h THR 176 N 0.12 1.26 0.11 2.81 2.02 -0.95 -0.84 112.91 117.44 1pwp h THR 176 Ca -0.01 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 1pwp h THR 176 Cb 1.17 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1pwp h THR 176 CO 0.10 0.33 -0.05 0.40 0.37 0.00 0.00 175.52 176.66 1pwp h ILE 177 N 1.15 1.03 -0.32 3.11 2.04 -1.33 -2.61 117.51 120.58 1pwp h ILE 177 Ca 0.27 -1.28 0.09 0.00 1.00 0.00 0.00 64.86 64.94 1pwp h ILE 177 Cb 0.19 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1pwp h ILE 177 CO -0.02 0.28 0.43 0.50 0.00 0.00 0.00 178.15 179.33 1pwp h LYS 178 N -0.82 0.00 -0.20 2.37 3.64 -0.84 -0.73 116.57 119.99 1pwp h LYS 178 Ca -0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1pwp h LYS 178 Cb 0.57 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1pwp h LYS 178 CO 0.02 0.00 -0.01 0.09 -2.27 0.00 0.00 179.45 177.28 1pwp n ASN 179 N -3.52 3.35 -4.82 4.20 3.02 -0.33 -5.03 115.26 112.14 1pwp n ASN 179 Ca 0.05 -3.12 -0.28 0.00 -0.03 0.00 0.00 54.58 51.21 1pwp n ASN 179 Cb 0.58 -0.53 0.09 0.00 -0.61 0.00 0.00 39.78 39.32 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 -2.89 2.85 0.00 5.41 0.00 -0.28 -5.00 121.76 121.85 1pwp s ALA 180 Ca 0.40 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1pwp s ALA 180 Cb 0.33 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1pwp s ALA 180 CO 0.06 -1.60 0.15 0.45 0.00 0.00 0.00 175.76 174.83 1pwp n SER 181 N -3.19 0.00 -4.62 0.00 2.88 -1.26 -4.64 113.62 102.79 1pwp n SER 181 Ca 0.09 0.34 -0.43 0.00 -1.33 0.00 0.00 58.87 57.54 1pwp n SER 181 Cb 0.61 -0.23 -0.03 0.00 -0.75 0.00 0.00 64.21 63.80 1pwp n SER 181 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1pwp s ASP 182 N -1.95 5.85 -0.14 -3.46 3.68 -1.26 -4.86 116.67 114.54 1pwp s ASP 182 Ca 0.00 1.99 0.06 0.00 2.13 0.00 0.00 52.55 56.73 1pwp s ASP 182 Cb 0.00 -2.52 0.39 0.00 -1.45 0.00 0.00 42.92 39.34 1pwp s ASP 182 CO 0.00 -1.63 1.18 -1.54 0.13 0.00 0.00 175.17 173.31 1pwp n SER 183 N 10.14 3.36 -0.15 -0.34 3.41 -1.26 -4.30 113.62 124.48 1pwp n SER 183 Ca 0.25 -2.52 -0.09 0.00 -0.26 0.00 0.00 58.87 56.25 1pwp n SER 183 Cb 0.44 -0.61 -0.01 0.00 -0.26 0.00 0.00 64.21 63.78 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 1.71 0.64 -0.65 4.04 5.19 -1.89 -1.22 116.42 124.23 1pwp h ASP 184 Ca 0.06 -0.22 0.04 0.00 -0.62 0.00 0.00 57.03 56.29 1pwp h ASP 184 Cb 1.36 -0.17 -0.05 0.00 0.18 0.00 0.00 39.33 40.66 1pwp h ASP 184 CO 0.30 0.69 0.38 1.23 -3.12 0.00 0.00 179.24 178.73 1pwp h GLY 185 N 0.55 0.95 0.90 2.75 0.00 -1.40 0.31 103.07 107.13 1pwp h GLY 185 Ca 0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1pwp h GLY 185 CO -0.00 0.21 -0.44 -1.61 0.00 0.00 0.00 176.54 174.70 1pwp h GLN 186 N 0.74 -1.09 0.00 4.80 4.15 -1.76 -0.39 115.11 121.55 1pwp h GLN 186 Ca 0.28 0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.77 1pwp h GLN 186 Cb 0.10 0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1pwp h GLN 186 CO -0.14 -0.73 0.00 -0.44 -1.93 0.00 0.00 178.83 175.60 1pwp h ASP 187 N -1.13 0.00 0.31 -0.69 3.45 -0.84 0.31 116.42 117.82 1pwp h ASP 187 Ca -0.10 0.00 -0.33 0.00 0.43 0.00 0.00 57.03 57.03 1pwp h ASP 187 Cb 0.89 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.63 1pwp h ASP 187 CO 0.14 0.00 -1.87 -0.11 -1.57 0.00 0.00 179.24 175.83 1pwp n LEU 188 N -2.44 1.69 -0.04 1.55 7.94 0.11 -4.70 117.00 121.11 1pwp n LEU 188 Ca -0.02 0.30 -0.05 0.00 -1.11 0.00 0.00 56.01 55.14 1pwp n LEU 188 Cb 0.04 -0.43 -0.05 0.00 0.53 0.00 0.00 43.42 43.52 1pwp n LEU 188 CO 0.12 0.61 -0.75 0.18 -1.11 0.00 0.00 177.39 176.44 1pwp n LEU 189 N -3.24 1.38 -4.79 -1.96 4.77 -0.23 -5.05 117.00 107.89 1pwp n LEU 189 Ca -0.25 -0.02 -0.35 0.00 -0.03 0.00 0.00 56.01 55.36 1pwp n LEU 189 Cb 1.05 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 42.07 1pwp n LEU 189 CO 0.44 0.39 0.75 -0.36 -1.33 0.00 0.00 177.39 177.28 1pwp s PHE 190 N -2.17 2.96 0.69 -1.77 2.99 0.10 -4.74 117.98 116.04 1pwp s PHE 190 Ca -0.07 1.58 -0.00 0.00 0.00 0.00 0.00 56.93 58.43 1pwp s PHE 190 Cb 0.02 -3.17 0.11 0.00 0.00 0.00 0.00 43.02 39.99 1pwp s PHE 190 CO 0.24 -1.04 0.95 0.95 -0.00 0.00 0.00 175.22 176.32 1pwp s THR 191 N -1.82 2.22 0.34 0.64 -4.23 -1.26 -4.77 115.64 106.75 1pwp s THR 191 Ca 0.66 -0.62 0.08 0.00 -1.18 0.00 0.00 61.69 60.63 1pwp s THR 191 Cb -0.21 -2.60 0.09 0.00 1.34 0.00 0.00 72.50 71.13 1pwp s THR 191 CO 0.25 0.00 1.80 0.78 -0.54 0.00 0.00 174.62 176.90 1pwp h ASN 192 N -0.41 0.24 0.59 3.99 2.35 -1.98 -2.08 115.58 118.28 1pwp h ASN 192 Ca -0.37 -0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.28 1pwp h ASN 192 Cb 1.27 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 39.58 1pwp h ASN 192 CO 0.42 0.52 -0.28 -0.61 -1.65 0.00 0.00 177.43 175.84 1pwp h GLN 193 N 0.22 -0.76 0.00 0.81 -0.00 -1.99 -2.68 115.11 110.72 1pwp h GLN 193 Ca 0.03 0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.73 1pwp h GLN 193 Cb 0.62 0.17 -0.00 0.00 0.00 0.00 0.00 27.48 28.27 1pwp h GLN 193 CO 0.04 -0.47 -0.04 -0.07 0.00 0.00 0.00 178.83 178.29 1pwp h LEU 194 N -0.87 0.00 -0.20 -2.39 3.38 -1.91 -2.89 115.31 110.42 1pwp h LEU 194 Ca -0.08 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1pwp h LEU 194 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1pwp h LEU 194 CO 0.13 0.04 -0.20 0.11 0.09 0.00 0.00 178.44 178.61 1pwp h LYS 195 N 0.00 0.49 -0.27 1.13 1.57 -1.14 -3.23 116.57 115.12 1pwp h LYS 195 Ca -0.00 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1pwp h LYS 195 Cb 0.08 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1pwp h LYS 195 CO 0.00 0.84 0.00 0.39 -0.57 0.00 0.00 179.45 180.11 1pwp n GLU 196 N -4.44 1.55 -2.74 3.15 1.02 -1.03 -4.82 120.64 113.33 1pwp n GLU 196 Ca -0.05 -0.77 -0.43 0.00 -0.02 0.00 0.00 57.16 55.89 1pwp n GLU 196 Cb 0.41 -1.22 -0.03 0.00 -0.02 0.00 0.00 31.44 30.58 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 -1.70 3.34 0.07 -0.32 2.46 -1.19 -4.96 115.29 113.00 1pwp s HIS 197 Ca 0.14 1.37 -0.24 0.00 0.47 0.00 0.00 55.06 56.79 1pwp s HIS 197 Cb 0.08 -3.19 -0.16 0.00 -0.13 0.00 0.00 32.58 29.18 1pwp s HIS 197 CO 0.09 -0.43 1.66 -1.00 -2.47 0.00 0.00 174.74 172.58 1pwp h PRO 198 N 7.49 -0.10 -7.21 2.88 0.13 -1.92 -3.46 132.00 129.82 1pwp h PRO 198 Ca -0.21 0.01 -0.47 0.00 -0.87 0.00 0.00 66.00 64.46 1pwp h PRO 198 Cb 1.08 0.02 0.07 0.00 0.13 0.00 0.00 31.00 32.30 1pwp h PRO 198 CO 0.94 -0.01 0.20 0.95 -0.23 0.00 0.00 178.00 179.85 1pwp s THR 199 N -5.90 3.00 0.81 1.56 -4.23 -1.26 -5.06 115.64 104.56 1pwp s THR 199 Ca -0.14 -0.12 -0.11 0.00 -1.18 0.00 0.00 61.69 60.14 1pwp s THR 199 Cb 0.05 -3.24 0.08 0.00 1.34 0.00 0.00 72.50 70.74 1pwp s THR 199 CO 0.65 -0.25 1.12 -1.81 -0.54 0.00 0.00 174.62 173.79 1pwp s ASP 200 N -4.40 3.94 0.09 3.99 1.11 -1.26 -4.95 116.67 115.19 1pwp s ASP 200 Ca 0.57 2.01 -0.29 0.00 0.18 0.00 0.00 52.55 55.01 1pwp s ASP 200 Cb -0.11 -2.54 -0.06 0.00 1.07 0.00 0.00 42.92 41.28 1pwp s ASP 200 CO 0.45 -2.42 0.94 -0.36 1.18 0.00 0.00 175.17 174.96 1pwp s PHE 201 N -2.71 3.79 0.37 4.23 0.40 -1.26 -5.04 117.98 117.76 1pwp s PHE 201 Ca 0.64 1.75 0.08 0.00 -0.60 0.00 0.00 56.93 58.81 1pwp s PHE 201 Cb -0.20 -3.03 -0.05 0.00 0.51 0.00 0.00 43.02 40.25 1pwp s PHE 201 CO 0.55 0.20 0.14 -1.54 0.70 0.00 0.00 175.22 175.27 1pwp s SER 202 N 0.07 4.52 0.50 1.36 1.04 -1.26 -4.92 113.70 115.01 1pwp s SER 202 Ca 0.46 -0.91 0.17 0.00 0.48 0.00 0.00 55.95 56.15 1pwp s SER 202 Cb -0.23 -0.61 1.21 0.00 0.10 0.00 0.00 66.02 66.50 1pwp s SER 202 CO 0.29 -0.38 2.10 1.62 0.98 0.00 0.00 173.24 177.85 1pwp h VAL 203 N 1.54 1.01 0.00 5.02 3.04 -1.98 0.49 116.25 125.37 1pwp h VAL 203 Ca -0.43 -0.23 -0.09 0.00 -1.01 0.00 0.00 66.70 64.93 1pwp h VAL 203 Cb 1.25 1.13 -0.01 0.00 -2.01 0.00 0.00 31.29 31.64 1pwp h VAL 203 CO 0.66 0.07 -0.45 -0.33 -1.01 0.00 0.00 177.57 176.50 1pwp h GLU 204 N 0.00 0.00 -0.09 4.17 3.07 -2.01 -2.87 114.58 116.85 1pwp h GLU 204 Ca -0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.75 1pwp h GLU 204 Cb 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1pwp h GLU 204 CO 0.01 0.45 -0.35 0.35 -1.40 0.00 0.00 179.01 178.07 1pwp h PHE 205 N 0.00 0.53 0.00 4.33 3.04 -1.33 -2.88 116.94 120.64 1pwp h PHE 205 Ca -0.00 -0.22 0.00 0.00 3.98 0.00 0.00 57.97 61.72 1pwp h PHE 205 Cb 0.93 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.35 1pwp h PHE 205 CO 0.00 0.96 0.19 1.25 -2.02 0.00 0.00 178.31 178.70 1pwp h LEU 206 N -0.05 0.00 0.06 0.59 6.46 -1.08 -1.79 115.31 119.50 1pwp h LEU 206 Ca -0.02 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1pwp h LEU 206 Cb 0.99 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.92 1pwp h LEU 206 CO 0.07 0.00 -0.03 -0.33 -0.62 0.00 0.00 178.44 177.54 1pwp h GLU 207 N 0.00 -0.08 0.12 1.25 4.39 -1.33 -2.76 114.58 116.17 1pwp h GLU 207 Ca 0.00 0.01 -0.32 0.00 0.34 0.00 0.00 59.36 59.39 1pwp h GLU 207 Cb 0.39 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1pwp h GLU 207 CO 0.00 0.39 -1.66 1.96 -1.16 0.00 0.00 179.01 178.54 1pwp h GLN 208 N -0.58 0.26 -1.04 2.33 1.08 -1.56 -3.37 115.11 112.23 1pwp h GLN 208 Ca -0.01 -0.44 -0.37 0.00 -1.45 0.00 0.00 58.65 56.38 1pwp h GLN 208 Cb 0.50 0.16 -0.21 0.00 -0.05 0.00 0.00 27.48 27.89 1pwp h GLN 208 CO 0.01 1.21 0.47 0.09 -0.95 0.00 0.00 178.83 179.67 1pwp n ASN 209 N -3.76 3.96 0.02 1.46 3.02 -0.72 -4.59 115.26 114.65 1pwp n ASN 209 Ca -0.28 -3.14 0.22 0.00 -0.03 0.00 0.00 54.58 51.36 1pwp n ASN 209 Cb 0.96 -0.77 0.72 0.00 -0.61 0.00 0.00 39.78 40.09 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 0.82 0.00 0.22 6.41 4.64 -1.66 -1.63 113.55 122.34 1pwp h SER 210 Ca 0.44 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.75 1pwp h SER 210 Cb 2.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.20 1pwp h SER 210 CO 0.81 0.00 -0.10 -1.13 -0.87 0.00 0.00 176.83 175.53 1pwp h ASN 211 N 0.00 -0.25 -0.87 4.97 -0.73 -1.87 -2.26 115.58 114.57 1pwp h ASN 211 Ca 0.26 -0.21 0.04 0.00 1.87 0.00 0.00 56.30 58.26 1pwp h ASN 211 Cb 1.28 0.06 -0.05 0.00 0.27 0.00 0.00 38.32 39.88 1pwp h ASN 211 CO -0.00 0.09 0.56 -0.33 -0.37 0.00 0.00 177.43 177.37 1pwp h GLU 212 N -0.61 1.03 -0.75 6.67 4.39 -1.68 -1.32 114.58 122.31 1pwp h GLU 212 Ca -0.03 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 1pwp h GLU 212 Cb 0.44 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 1pwp h GLU 212 CO 0.05 0.68 0.33 0.28 -1.16 0.00 0.00 179.01 179.19 1pwp h VAL 213 N 1.06 1.25 -0.88 3.13 2.07 -1.52 -2.43 116.25 118.93 1pwp h VAL 213 Ca 0.35 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1pwp h VAL 213 Cb 0.05 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 1pwp h VAL 213 CO -0.13 0.30 0.52 1.56 0.02 0.00 0.00 177.57 179.84 1pwp h GLN 214 N 1.06 1.20 -0.38 1.57 4.20 -0.71 -2.68 115.11 119.37 1pwp h GLN 214 Ca 0.25 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1pwp h GLN 214 Cb 0.16 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1pwp h GLN 214 CO -0.03 0.85 0.18 0.93 -0.67 0.00 0.00 178.83 180.09 1pwp h GLU 215 N 1.21 0.54 -0.86 1.46 4.39 -0.82 -1.16 114.58 119.36 1pwp h GLU 215 Ca 0.31 -0.08 0.04 0.00 0.34 0.00 0.00 59.36 59.97 1pwp h GLU 215 Cb -0.03 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.47 1pwp h GLU 215 CO -0.06 0.48 0.55 0.28 -1.16 0.00 0.00 179.01 179.10 1pwp h VAL 216 N 0.47 1.12 0.42 3.13 2.07 -1.23 -0.36 116.25 121.86 1pwp h VAL 216 Ca 0.13 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1pwp h VAL 216 Cb 0.12 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1pwp h VAL 216 CO -0.02 0.19 -0.20 0.15 0.02 0.00 0.00 177.57 177.72 1pwp h PHE 217 N 1.06 -0.52 -0.06 1.57 3.57 -1.15 -1.82 116.94 119.59 1pwp h PHE 217 Ca 0.35 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.87 1pwp h PHE 217 Cb 0.03 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.88 1pwp h PHE 217 CO -0.02 -0.32 -0.36 0.00 -2.23 0.00 0.00 178.31 175.38 1pwp h ALA 218 N 0.03 -0.50 -0.06 2.41 0.00 -0.51 0.29 119.26 120.92 1pwp h ALA 218 Ca -0.06 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1pwp h ALA 218 Cb 0.43 0.65 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1pwp h ALA 218 CO 0.09 -0.86 -0.31 0.87 0.00 0.00 0.00 179.25 179.04 1pwp h LYS 219 N -0.47 -0.41 -0.45 0.00 1.57 -1.05 0.17 116.57 115.93 1pwp h LYS 219 Ca 0.07 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.95 1pwp h LYS 219 Cb 0.59 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.93 1pwp h LYS 219 CO -0.33 -0.27 0.10 0.00 -0.57 0.00 0.00 179.45 178.38 1pwp h ALA 220 N 0.36 0.50 -0.15 3.86 0.00 -0.96 0.20 119.26 123.06 1pwp h ALA 220 Ca 0.08 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1pwp h ALA 220 Cb 0.54 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1pwp h ALA 220 CO -0.30 -0.30 -0.20 0.35 0.00 0.00 0.00 179.25 178.80 1pwp h PHE 221 N 0.24 -0.51 0.30 0.00 3.57 0.15 -0.85 116.94 119.84 1pwp h PHE 221 Ca 0.22 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1pwp h PHE 221 Cb 0.26 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 1pwp h PHE 221 CO -0.20 -0.27 -0.35 0.00 -2.23 0.00 0.00 178.31 175.26 1pwp h ALA 222 N 0.79 -0.72 -0.94 2.41 0.00 0.01 0.11 119.26 120.92 1pwp h ALA 222 Ca 0.11 -0.10 0.25 0.00 0.00 0.00 0.00 54.91 55.16 1pwp h ALA 222 Cb 0.40 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1pwp h ALA 222 CO -0.29 -0.94 0.65 1.88 0.00 0.00 0.00 179.25 180.54 1pwp h TYR 223 N -0.69 0.26 0.11 0.00 -1.99 -0.37 -0.67 116.97 113.62 1pwp h TYR 223 Ca -0.01 0.01 -0.28 0.00 2.00 0.00 0.00 58.73 60.45 1pwp h TYR 223 Cb 0.64 -0.08 -0.00 0.00 2.00 0.00 0.00 36.73 39.29 1pwp h TYR 223 CO -0.22 0.05 -1.33 -0.92 -0.00 0.00 0.00 178.16 175.74 1pwp h TYR 224 N 0.18 0.44 -0.10 4.88 3.20 0.00 -1.65 116.97 123.92 1pwp h TYR 224 Ca 0.47 -0.32 -0.22 0.00 3.14 0.00 0.00 58.73 61.80 1pwp h TYR 224 Cb 1.55 -0.02 0.01 0.00 1.54 0.00 0.00 36.73 39.81 1pwp h TYR 224 CO -0.00 1.29 -0.82 0.82 -1.64 0.00 0.00 178.16 177.80 1pwp h ILE 225 N 0.07 1.31 -3.53 1.81 1.08 0.56 -3.42 117.51 115.38 1pwp h ILE 225 Ca -0.17 -2.09 -0.56 0.00 -0.39 0.00 0.00 64.86 61.65 1pwp h ILE 225 Cb 1.98 2.10 -0.07 0.00 -3.07 0.00 0.00 36.82 37.76 1pwp h ILE 225 CO 0.18 0.65 0.93 -0.70 -0.69 0.00 0.00 178.15 178.52 1pwp s GLU 226 N -3.62 3.80 0.09 2.37 -6.30 -0.41 -4.96 118.70 109.67 1pwp s GLU 226 Ca -0.09 0.77 -0.20 0.00 -2.50 0.00 0.00 54.97 52.96 1pwp s GLU 226 Cb 0.09 -3.88 -0.05 0.00 0.00 0.00 0.00 34.13 30.29 1pwp s GLU 226 CO 0.89 -1.27 1.33 -1.35 0.02 0.00 0.00 175.26 174.88 1pwp h PRO 227 N 9.13 -0.09 -0.12 4.30 0.11 -1.86 -1.85 132.00 141.61 1pwp h PRO 227 Ca -0.23 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.92 1pwp h PRO 227 Cb 1.07 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1pwp h PRO 227 CO 1.10 -0.06 0.11 0.37 -0.21 0.00 0.00 178.00 179.30 1pwp h GLN 228 N -0.10 0.00 0.00 1.05 5.75 -1.93 -2.16 115.11 117.73 1pwp h GLN 228 Ca 0.08 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.46 1pwp h GLN 228 Cb 0.30 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 1pwp h GLN 228 CO -0.50 0.00 -1.02 0.45 -2.65 0.00 0.00 178.83 175.11 1pwp h HIS 229 N 0.00 0.00 -1.00 3.99 3.86 -1.70 -3.37 115.15 116.92 1pwp h HIS 229 Ca 0.06 0.00 0.22 0.00 -1.16 0.00 0.00 60.37 59.49 1pwp h HIS 229 Cb 0.27 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.63 1pwp h HIS 229 CO 0.00 0.43 0.61 -0.09 0.86 0.00 0.00 177.93 179.74 1pwp h ARG 230 N 0.00 0.62 -0.89 2.45 2.43 -0.47 0.15 114.38 118.67 1pwp h ARG 230 Ca -0.08 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1pwp h ARG 230 Cb 1.40 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.75 1pwp h ARG 230 CO 0.04 0.41 0.56 -0.44 -1.51 0.00 0.00 179.97 179.04 1pwp h ASP 231 N 0.64 0.91 -0.68 -3.80 5.19 -1.72 -0.17 116.42 116.78 1pwp h ASP 231 Ca 0.60 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 57.00 1pwp h ASP 231 Cb 1.10 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 40.39 1pwp h ASP 231 CO -0.40 0.60 0.38 0.58 -3.12 0.00 0.00 179.24 177.28 1pwp h VAL 232 N 1.05 1.21 0.00 -1.35 2.07 -0.96 -1.58 116.25 116.70 1pwp h VAL 232 Ca 0.37 -0.53 -0.14 0.00 0.82 0.00 0.00 66.70 67.23 1pwp h VAL 232 Cb 0.11 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1pwp h VAL 232 CO -0.15 0.24 -0.64 0.25 0.02 0.00 0.00 177.57 177.28 1pwp h LEU 233 N 0.97 0.00 0.00 2.57 7.12 -0.79 -2.69 115.31 122.50 1pwp h LEU 233 Ca 0.25 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.26 1pwp h LEU 233 Cb 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.16 1pwp h LEU 233 CO -0.04 0.64 -0.37 1.67 -0.13 0.00 0.00 178.44 180.21 1pwp n GLN 234 N -3.66 0.11 0.01 1.25 7.27 -0.24 -2.14 117.38 119.97 1pwp n GLN 234 Ca -0.01 0.05 0.11 0.00 0.07 0.00 0.00 57.00 57.22 1pwp n GLN 234 Cb 0.66 -1.59 -0.06 0.00 2.41 0.00 0.00 30.24 31.67 1pwp n GLN 234 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1pwp n LEU 235 N -1.76 0.62 0.00 1.69 7.94 -0.63 -4.24 117.00 120.62 1pwp n LEU 235 Ca 0.05 -0.19 0.00 0.00 -1.11 0.00 0.00 56.01 54.76 1pwp n LEU 235 Cb 0.38 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.28 1pwp n LEU 235 CO 0.33 0.11 -0.02 -1.22 -1.11 0.00 0.00 177.39 175.48 1pwp n TYR 236 N -1.84 0.00 -2.58 1.96 4.01 -1.03 -4.86 117.16 112.82 1pwp n TYR 236 Ca 0.02 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.61 1pwp n TYR 236 Cb 0.42 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.47 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 -0.11 3.99 -0.37 -0.72 0.00 -0.91 -1.34 120.51 121.04 1pwp n ALA 237 Ca 0.00 -3.54 -0.02 0.00 0.00 0.00 0.00 53.44 49.88 1pwp n ALA 237 Cb 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 19.45 18.70 1pwp n ALA 237 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1pwp n PRO 238 N -0.28 -0.25 -0.15 0.00 -0.02 -1.22 0.91 135.00 133.99 1pwp n PRO 238 Ca 0.21 1.45 0.10 0.00 -2.02 0.00 0.00 63.50 63.24 1pwp n PRO 238 Cb 0.77 -2.15 0.43 0.00 -0.02 0.00 0.00 33.50 32.53 1pwp n PRO 238 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1pwp h GLU 239 N 0.00 0.56 -0.04 -0.52 4.39 -1.92 0.50 114.58 117.55 1pwp h GLU 239 Ca 0.30 -0.03 -0.23 0.00 0.34 0.00 0.00 59.36 59.74 1pwp h GLU 239 Cb 0.54 -0.13 0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1pwp h GLU 239 CO -0.93 0.37 -0.86 0.00 -1.16 0.00 0.00 179.01 176.43 1pwp h ALA 240 N 1.65 0.15 -0.55 3.43 0.00 0.21 -1.26 119.26 122.89 1pwp h ALA 240 Ca 0.32 -0.64 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1pwp h ALA 240 Cb 0.48 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1pwp h ALA 240 CO -0.11 0.59 0.32 0.35 0.00 0.00 0.00 179.25 180.40 1pwp h PHE 241 N 0.30 0.59 -0.14 0.00 3.04 0.17 0.14 116.94 121.03 1pwp h PHE 241 Ca -0.10 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.86 1pwp h PHE 241 Cb 1.52 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.84 1pwp h PHE 241 CO 0.11 0.32 0.04 -0.91 -2.02 0.00 0.00 178.31 175.86 1pwp h ASN 242 N 0.62 0.21 0.50 0.41 -0.26 -0.09 0.50 115.58 117.46 1pwp h ASN 242 Ca 0.23 -0.21 -0.01 0.00 -0.56 0.00 0.00 56.30 55.75 1pwp h ASN 242 Cb 0.06 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.25 1pwp h ASN 242 CO -0.12 0.36 -0.46 0.22 -1.06 0.00 0.00 177.43 176.37 1pwp h TYR 243 N 0.05 -1.26 -0.70 1.19 5.03 -0.85 -1.67 116.97 118.75 1pwp h TYR 243 Ca 0.05 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.41 1pwp h TYR 243 Cb 0.23 0.49 -0.04 0.00 1.55 0.00 0.00 36.73 38.95 1pwp h TYR 243 CO 0.00 -0.63 0.46 0.52 -1.32 0.00 0.00 178.16 177.19 1pwp h MET 244 N -0.96 0.76 0.64 1.82 2.86 -0.72 -1.18 114.93 118.16 1pwp h MET 244 Ca -0.06 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1pwp h MET 244 Cb 0.83 -0.17 0.01 0.00 0.06 0.00 0.00 31.60 32.32 1pwp h MET 244 CO -0.04 0.50 -0.31 0.22 1.06 0.00 0.00 176.91 178.34 1pwp h ASP 245 N 0.78 -0.73 -0.84 1.22 -0.00 -0.60 -1.68 116.42 114.58 1pwp h ASP 245 Ca 0.29 0.03 0.16 0.00 -0.00 0.00 0.00 57.03 57.51 1pwp h ASP 245 Cb 0.16 0.19 -0.06 0.00 -0.00 0.00 0.00 39.33 39.62 1pwp h ASP 245 CO -0.09 -0.48 0.55 0.50 -0.00 0.00 0.00 179.24 179.72 1pwp h LYS 246 N -0.94 0.49 -0.25 0.28 1.63 -1.20 -1.65 116.57 114.93 1pwp h LYS 246 Ca -0.09 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.63 1pwp h LYS 246 Cb 0.66 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 1pwp h LYS 246 CO 0.14 0.33 -0.03 0.35 -3.45 0.00 0.00 179.45 176.79 1pwp h PHE 247 N 0.51 0.52 0.00 1.91 3.57 -1.06 -0.96 116.94 121.42 1pwp h PHE 247 Ca 0.42 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.82 1pwp h PHE 247 Cb 0.88 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1pwp h PHE 247 CO -0.00 0.66 -0.26 -0.91 -2.23 0.00 0.00 178.31 175.57 1pwp h ASN 248 N 0.23 0.00 -0.00 0.41 2.35 -0.92 0.25 115.58 117.90 1pwp h ASN 248 Ca 0.07 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1pwp h ASN 248 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1pwp h ASN 248 CO 0.02 0.02 -0.73 -0.62 -1.65 0.00 0.00 177.43 174.46 1pwp n GLU 249 N -2.61 0.61 0.00 0.81 -0.58 -0.66 -4.82 120.64 113.40 1pwp n GLU 249 Ca 0.04 -0.51 0.00 0.00 -0.42 0.00 0.00 57.16 56.27 1pwp n GLU 249 Cb 0.49 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 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 -0.75 0.00 -0.28 3.49 6.02 -0.38 -4.98 117.38 120.49 1pwp n GLN 250 Ca 0.07 0.00 0.25 0.00 -0.01 0.00 0.00 57.00 57.30 1pwp n GLN 250 Cb 0.40 0.00 0.42 0.00 1.02 0.00 0.00 30.24 32.08 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 -0.06 -0.03 -0.27 -1.09 1.02 -1.09 -2.49 120.64 116.63 1pwp n GLU 251 Ca 0.00 0.82 0.04 0.00 -0.02 0.00 0.00 57.16 58.00 1pwp n GLU 251 Cb 0.00 -1.59 0.13 0.00 -0.02 0.00 0.00 31.44 29.96 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 0.24 0.00 -3.67 6.09 -0.75 0.25 117.51 119.67 1pwp h ILE 252 Ca 0.56 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 64.04 1pwp h ILE 252 Cb 1.75 0.21 0.00 0.00 0.47 0.00 0.00 36.82 39.25 1pwp h ILE 252 CO -0.34 0.01 0.00 -0.55 -3.07 0.00 0.00 178.15 174.20 1pwp h ASN 253 N 0.03 0.00 0.39 2.19 -0.00 -1.77 -0.35 115.58 116.07 1pwp h ASN 253 Ca 0.41 0.00 -0.21 0.00 -0.00 0.00 0.00 56.30 56.49 1pwp h ASN 253 Cb 0.68 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.99 1pwp h ASN 253 CO -0.77 0.00 -0.90 -0.07 -0.00 0.00 0.00 177.43 175.69 1pwp h LEU 254 N 0.00 0.45 -0.88 6.14 3.38 -0.73 -0.56 115.31 123.12 1pwp h LEU 254 Ca 0.00 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 1pwp h LEU 254 Cb 0.17 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1pwp h LEU 254 CO 0.00 1.15 -0.07 0.28 0.09 0.00 0.00 178.44 179.89 1pwp h SER 255 N 0.20 0.73 0.28 -0.43 0.02 -0.90 0.32 113.55 113.77 1pwp h SER 255 Ca -0.06 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 1pwp h SER 255 Cb 1.53 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.88 1pwp h SER 255 CO 0.15 0.84 -0.14 0.25 -1.14 0.00 0.00 176.83 176.80 1pwp h LEU 256 N 0.69 -0.32 -1.04 5.07 6.46 -1.27 -0.43 115.31 124.46 1pwp h LEU 256 Ca 0.12 -0.20 0.15 0.00 -0.12 0.00 0.00 57.88 57.84 1pwp h LEU 256 Cb 0.53 0.08 -0.09 0.00 -0.73 0.00 0.00 40.66 40.45 1pwp h LEU 256 CO 0.03 0.06 0.62 -0.08 -0.62 0.00 0.00 178.44 178.45 1pwp h GLU 257 N -0.76 0.85 -0.13 1.25 4.57 -0.88 -0.13 114.58 119.35 1pwp h GLU 257 Ca -0.04 -0.05 -0.19 0.00 -1.18 0.00 0.00 59.36 57.90 1pwp h GLU 257 Cb 0.50 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1pwp h GLU 257 CO 0.06 0.56 -0.70 1.49 -1.18 0.00 0.00 179.01 179.24 1pwp h GLU 258 N 0.87 0.55 -0.52 1.92 4.81 -0.25 -2.39 114.58 119.56 1pwp h GLU 258 Ca 0.53 -0.42 -0.09 0.00 -0.13 0.00 0.00 59.36 59.24 1pwp h GLU 258 Cb 0.68 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 1pwp h GLU 258 CO -0.30 1.05 -0.05 1.25 -0.73 0.00 0.00 179.01 180.22 1pwp h LEU 259 N 0.39 0.90 -0.94 1.64 5.85 -0.09 -2.86 115.31 120.21 1pwp h LEU 259 Ca -0.03 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 1pwp h LEU 259 Cb 1.28 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 1pwp h LEU 259 CO 0.13 0.99 0.26 0.11 -0.34 0.00 0.00 178.44 179.59 1pwp h LYS 260 N 0.84 1.03 0.00 1.25 1.57 -0.94 -2.37 116.57 117.94 1pwp h LYS 260 Ca 0.15 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1pwp h LYS 260 Cb 0.57 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1pwp h LYS 260 CO 0.03 0.85 0.00 -3.47 -0.57 0.00 0.00 179.45 176.30 1pwp n ASP 261 N -4.29 0.58 0.11 0.86 -0.08 -0.91 -0.91 116.55 111.90 1pwp n ASP 261 Ca 0.06 0.75 0.12 0.00 -1.51 0.00 0.00 54.79 54.21 1pwp n ASP 261 Cb 0.19 -0.83 0.14 0.00 2.34 0.00 0.00 41.12 42.95 1pwp n ASP 261 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1pwp h GLN 262 N 0.00 0.00 -5.51 -0.67 1.08 -1.44 -3.46 115.11 105.10 1pwp h GLN 262 Ca 0.00 0.00 -0.61 0.00 -1.45 0.00 0.00 58.65 56.59 1pwp h GLN 262 Cb 0.04 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 27.36 1pwp h GLN 262 CO 0.00 0.00 0.16 1.03 -0.95 0.00 0.00 178.83 179.07 1pwp s ARG 263 N -3.23 4.07 0.15 1.46 0.52 -0.09 -4.98 118.95 116.85 1pwp s ARG 263 Ca 0.05 0.51 -0.27 0.00 -0.52 0.00 0.00 55.73 55.49 1pwp s ARG 263 Cb 0.11 -3.66 -0.01 0.00 0.52 0.00 0.00 34.95 31.90 1pwp s ARG 263 CO 0.72 -0.45 1.58 1.98 0.02 0.00 0.00 175.30 179.16 1pwp h MET 264 N 7.95 -0.36 -0.27 3.54 1.85 -1.89 0.48 114.93 126.24 1pwp h MET 264 Ca -0.27 0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 58.81 1pwp h MET 264 Cb 1.12 0.08 -0.01 0.00 0.43 0.00 0.00 31.60 33.22 1pwp h MET 264 CO 0.78 -0.24 0.01 -0.07 -0.40 0.00 0.00 176.91 176.99 1pwp h LEU 265 N -0.37 0.36 -0.39 3.39 3.38 -1.94 -2.01 115.31 117.73 1pwp h LEU 265 Ca 0.12 -0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 1pwp h LEU 265 Cb 0.59 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1pwp h LEU 265 CO -0.51 0.42 -0.56 0.28 0.09 0.00 0.00 178.44 178.16 1pwp h SER 266 N 0.38 0.81 0.24 -0.43 0.02 -1.58 -1.20 113.55 111.79 1pwp h SER 266 Ca 0.09 -0.44 -0.01 0.00 -0.84 0.00 0.00 61.79 60.59 1pwp h SER 266 Cb 0.24 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1pwp h SER 266 CO 0.00 1.20 -0.12 0.03 -1.14 0.00 0.00 176.83 176.81 1pwp h ARG 267 N 0.55 -0.31 -0.69 3.45 3.08 -0.71 -2.36 114.38 117.39 1pwp h ARG 267 Ca 0.01 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.11 1pwp h ARG 267 Cb 1.15 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.23 1pwp h ARG 267 CO 0.12 -0.09 0.46 -0.92 -1.07 0.00 0.00 179.97 178.46 1pwp h TYR 268 N -0.48 0.82 0.38 3.04 3.20 -1.37 -1.83 116.97 120.72 1pwp h TYR 268 Ca -0.03 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1pwp h TYR 268 Cb 0.36 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.36 1pwp h TYR 268 CO -0.02 0.49 -0.18 1.49 -1.64 0.00 0.00 178.16 178.30 1pwp h GLU 269 N 0.85 -0.49 -0.92 1.82 4.81 -1.10 -1.70 114.58 117.85 1pwp h GLU 269 Ca 0.27 0.03 0.19 0.00 -0.13 0.00 0.00 59.36 59.72 1pwp h GLU 269 Cb 0.02 0.11 -0.11 0.00 0.63 0.00 0.00 28.75 29.41 1pwp h GLU 269 CO -0.07 -0.21 0.49 -0.22 -0.73 0.00 0.00 179.01 178.27 1pwp h LYS 270 N -0.74 0.58 0.05 1.92 3.64 -1.17 -0.46 116.57 120.39 1pwp h LYS 270 Ca -0.05 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1pwp h LYS 270 Cb 0.51 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1pwp h LYS 270 CO 0.09 0.38 -0.03 2.35 -2.27 0.00 0.00 179.45 179.97 1pwp h TRP 271 N 0.60 -0.07 -0.89 1.91 2.91 -1.19 -2.49 115.95 116.73 1pwp h TRP 271 Ca 0.54 -0.00 0.11 0.00 1.13 0.00 0.00 58.89 60.67 1pwp h TRP 271 Cb 0.90 0.02 -0.08 0.00 -0.51 0.00 0.00 29.16 29.49 1pwp h TRP 271 CO -0.07 0.06 0.52 0.93 -1.03 0.00 0.00 178.44 178.85 1pwp h GLU 272 N -0.18 0.81 -0.31 2.65 4.39 -0.16 -0.11 114.58 121.66 1pwp h GLU 272 Ca -0.01 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 1pwp h GLU 272 Cb 0.16 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1pwp h GLU 272 CO 0.01 0.53 -0.22 0.87 -1.16 0.00 0.00 179.01 179.05 1pwp h LYS 273 N 0.83 0.69 -0.66 2.33 1.57 -1.13 -0.44 116.57 119.76 1pwp h LYS 273 Ca 0.44 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1pwp h LYS 273 Cb 0.45 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1pwp h LYS 273 CO -0.27 0.94 0.20 0.82 -0.57 0.00 0.00 179.45 180.57 1pwp h ILE 274 N 0.45 1.25 -0.64 1.86 1.08 -1.08 -0.39 117.51 120.03 1pwp h ILE 274 Ca 0.06 -0.87 -0.06 0.00 -0.39 0.00 0.00 64.86 63.60 1pwp h ILE 274 Cb 0.77 0.57 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 1pwp h ILE 274 CO 0.06 0.34 0.18 0.50 -0.69 0.00 0.00 178.15 178.53 1pwp h LYS 275 N 0.96 1.00 0.36 2.37 3.64 -0.95 -2.77 116.57 121.18 1pwp h LYS 275 Ca 0.21 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1pwp h LYS 275 Cb 0.30 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1pwp h LYS 275 CO -0.01 0.90 -0.18 0.37 -2.27 0.00 0.00 179.45 178.26 1pwp h GLN 276 N 0.93 -0.47 -0.38 1.90 4.15 -0.72 -1.58 115.11 118.93 1pwp h GLN 276 Ca 0.20 0.03 0.11 0.00 0.77 0.00 0.00 58.65 59.77 1pwp h GLN 276 Cb 0.32 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 1pwp h GLN 276 CO -0.00 -0.24 0.48 1.25 -1.93 0.00 0.00 178.83 178.39 1pwp h HIS 277 N -0.61 0.00 -0.40 3.99 2.76 -1.00 0.27 115.15 120.15 1pwp h HIS 277 Ca -0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 1pwp h HIS 277 Cb 0.45 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.41 1pwp h HIS 277 CO -0.02 0.00 0.00 0.66 -1.30 0.00 0.00 177.93 177.27 1pwp n TYR 278 N -3.55 0.52 -0.06 5.26 4.02 -0.97 -4.63 117.16 117.76 1pwp n TYR 278 Ca 0.07 -0.40 -0.08 0.00 -0.01 0.00 0.00 57.90 57.48 1pwp n TYR 278 Cb 0.64 -0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 39.93 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 2.91 -0.22 -0.70 -0.72 5.75 0.53 0.26 115.11 122.92 1pwp h GLN 279 Ca 0.00 0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.52 1pwp h GLN 279 Cb 0.79 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.36 1pwp h GLN 279 CO 0.00 -0.15 0.46 1.25 -2.65 0.00 0.00 178.83 177.74 1pwp h HIS 280 N -0.23 0.87 0.50 3.99 2.76 -1.82 0.17 115.15 121.40 1pwp h HIS 280 Ca 0.14 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.31 1pwp h HIS 280 Cb 0.45 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 29.12 1pwp h HIS 280 CO -0.40 0.54 -0.29 2.35 -1.30 0.00 0.00 177.93 178.83 1pwp h TRP 281 N 0.94 -0.76 -0.72 5.26 7.01 -1.64 -2.56 115.95 123.47 1pwp h TRP 281 Ca 0.26 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.38 1pwp h TRP 281 Cb -0.10 0.27 -0.09 0.00 -2.10 0.00 0.00 29.16 27.13 1pwp h TRP 281 CO -0.03 -0.45 0.26 0.77 -2.79 0.00 0.00 178.44 176.20 1pwp h SER 282 N -0.75 0.22 -0.08 2.65 0.02 -0.17 -2.06 113.55 113.38 1pwp h SER 282 Ca -0.06 0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 1pwp h SER 282 Cb 0.60 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 1pwp h SER 282 CO 0.07 0.09 -0.04 0.44 -1.14 0.00 0.00 176.83 176.25 1pwp h ASP 283 N 0.40 0.28 0.37 3.07 3.32 -0.77 -2.90 116.42 120.20 1pwp h ASP 283 Ca 0.39 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1pwp h ASP 283 Cb 0.58 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1pwp h ASP 283 CO -0.40 0.37 -0.12 -1.54 -1.72 0.00 0.00 179.24 175.83 1pwp n SER 284 N -4.33 0.49 -4.68 6.45 3.41 -0.78 -4.90 113.62 109.28 1pwp n SER 284 Ca -0.00 -0.55 -0.42 0.00 -0.26 0.00 0.00 58.87 57.63 1pwp n SER 284 Cb 0.22 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 1pwp n SER 284 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1pwp s LEU 285 N -2.50 4.39 1.05 1.04 1.43 -1.10 -4.98 118.68 118.01 1pwp s LEU 285 Ca 0.28 2.60 -0.14 0.00 -1.03 0.00 0.00 54.13 55.85 1pwp s LEU 285 Cb 0.20 -3.55 0.22 0.00 0.03 0.00 0.00 46.19 43.08 1pwp s LEU 285 CO 0.48 -0.97 1.09 -0.94 0.23 0.00 0.00 176.35 176.24 1pwp s SER 286 N 3.09 2.16 0.43 2.29 1.04 -1.26 -4.79 113.70 116.66 1pwp s SER 286 Ca 0.80 1.07 0.16 0.00 0.48 0.00 0.00 55.95 58.46 1pwp s SER 286 Cb -0.42 -1.66 0.98 0.00 0.10 0.00 0.00 66.02 65.01 1pwp s SER 286 CO 0.36 -3.40 1.95 -0.08 0.98 0.00 0.00 173.24 173.04 1pwp h GLU 287 N -2.08 0.00 -0.29 4.02 4.81 -2.00 -1.94 114.58 117.10 1pwp h GLU 287 Ca -0.54 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.55 1pwp h GLU 287 Cb 1.33 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.71 1pwp h GLU 287 CO 0.53 0.23 -0.37 1.49 -0.73 0.00 0.00 179.01 180.17 1pwp h GLU 288 N 0.00 0.76 -0.10 1.92 4.81 -1.99 -1.66 114.58 118.32 1pwp h GLU 288 Ca -0.00 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1pwp h GLU 288 Cb 0.44 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1pwp h GLU 288 CO 0.03 1.06 0.06 0.78 -0.73 0.00 0.00 179.01 180.21 1pwp h GLY 289 N 0.51 0.15 1.52 1.92 0.00 -1.70 -0.01 103.07 105.46 1pwp h GLY 289 Ca 0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 1pwp h GLY 289 CO 0.09 0.06 0.03 3.21 0.00 0.00 0.00 176.54 179.93 1pwp h ARG 290 N 0.12 0.60 -0.02 4.80 3.08 -1.45 -2.15 114.38 119.35 1pwp h ARG 290 Ca 0.04 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1pwp h ARG 290 Cb 0.01 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1pwp h ARG 290 CO -0.01 0.60 0.01 0.78 -1.07 0.00 0.00 179.97 180.29 1pwp h GLY 291 N 0.86 0.03 0.54 0.04 0.00 -0.70 -1.99 103.07 101.85 1pwp h GLY 291 Ca 0.13 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.45 1pwp h GLY 291 CO 0.01 0.01 -0.35 1.41 0.00 0.00 0.00 176.54 177.62 1pwp h LEU 292 N -0.02 -0.98 -1.46 3.11 3.38 -0.60 -2.26 115.31 116.48 1pwp h LEU 292 Ca 0.01 0.10 0.16 0.00 0.09 0.00 0.00 57.88 58.24 1pwp h LEU 292 Cb 0.05 0.35 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1pwp h LEU 292 CO -0.00 -0.47 0.55 -0.07 0.09 0.00 0.00 178.44 178.54 1pwp h LEU 293 N -0.67 0.48 0.21 1.67 3.38 -1.36 -1.62 115.31 117.40 1pwp h LEU 293 Ca -0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1pwp h LEU 293 Cb 0.64 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1pwp h LEU 293 CO -0.12 0.23 -0.10 0.50 0.09 0.00 0.00 178.44 179.04 1pwp h LYS 294 N 0.50 -0.28 0.00 1.13 3.64 -0.80 -2.56 116.57 118.21 1pwp h LYS 294 Ca 0.43 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.80 1pwp h LYS 294 Cb 0.91 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1pwp h LYS 294 CO -0.17 0.01 -0.10 1.57 -2.27 0.00 0.00 179.45 178.49 1pwp h LYS 295 N -0.57 0.00 -0.30 1.90 2.10 -0.97 0.17 116.57 118.91 1pwp h LYS 295 Ca -0.03 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.53 1pwp h LYS 295 Cb 0.42 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.73 1pwp h LYS 295 CO 0.05 0.10 -0.21 1.25 -2.00 0.00 0.00 179.45 178.64 1pwp h LEU 296 N 0.00 0.56 0.12 7.07 5.85 -1.15 -3.02 115.31 124.74 1pwp h LEU 296 Ca -0.00 -0.18 -0.29 0.00 0.84 0.00 0.00 57.88 58.24 1pwp h LEU 296 Cb 0.35 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1pwp h LEU 296 CO 0.01 0.78 -1.44 1.56 -0.34 0.00 0.00 178.44 179.01 1pwp h GLN 297 N 0.50 0.25 -4.65 1.25 4.20 -0.70 -3.43 115.11 112.53 1pwp h GLN 297 Ca 0.08 -0.42 -0.67 0.00 0.06 0.00 0.00 58.65 57.70 1pwp h GLN 297 Cb 0.65 0.16 -0.39 0.00 0.30 0.00 0.00 27.48 28.20 1pwp h GLN 297 CO 0.05 1.13 -0.68 0.42 -0.67 0.00 0.00 178.83 179.07 1pwp s ILE 298 N -2.63 2.51 0.55 2.54 -1.09 0.45 -5.11 121.20 118.42 1pwp s ILE 298 Ca -0.07 -2.26 -0.21 0.00 -2.23 0.00 0.00 60.65 55.88 1pwp s ILE 298 Cb 0.07 -2.80 -0.05 0.00 -1.58 0.00 0.00 42.46 38.09 1pwp s ILE 298 CO 0.86 -0.60 1.22 -2.65 -1.23 0.00 0.00 174.94 172.54 1pwp n PRO 299 N 4.33 1.43 -2.87 2.79 -0.02 -1.23 -4.43 135.00 135.00 1pwp n PRO 299 Ca 0.02 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 1pwp n PRO 299 Cb 0.42 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.44 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 -1.34 4.86 0.24 4.25 -1.09 -0.96 -4.88 121.20 122.27 1pwp s ILE 300 Ca 0.72 1.64 -0.26 0.00 -2.23 0.00 0.00 60.65 60.53 1pwp s ILE 300 Cb -0.43 -4.14 -0.09 0.00 -1.58 0.00 0.00 42.46 36.22 1pwp s ILE 300 CO 0.49 -0.01 0.85 -1.61 -1.23 0.00 0.00 174.94 173.43 1pwp s GLU 301 N 2.40 4.58 0.25 2.79 0.41 -1.26 -1.09 118.70 126.77 1pwp s GLU 301 Ca 0.38 1.23 -0.30 0.00 -0.41 0.00 0.00 54.97 55.87 1pwp s GLU 301 Cb -0.16 -3.06 -0.10 0.00 -1.78 0.00 0.00 34.13 29.03 1pwp s GLU 301 CO 0.11 0.45 1.41 -1.25 -0.49 0.00 0.00 175.26 175.48 1pwp s PRO 302 N -1.57 4.29 -0.11 0.39 0.04 -1.26 -4.97 135.00 131.82 1pwp s PRO 302 Ca 0.42 2.26 -0.22 0.00 0.04 0.00 0.00 61.00 63.50 1pwp s PRO 302 Cb -0.21 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 1pwp s PRO 302 CO 0.26 -0.37 0.64 0.21 0.04 0.00 0.00 177.00 177.78 1pwp s LYS 303 N -0.50 4.36 0.16 4.56 2.20 -1.26 -5.00 119.74 124.26 1pwp s LYS 303 Ca 0.58 0.72 -0.24 0.00 -0.36 0.00 0.00 55.97 56.67 1pwp s LYS 303 Cb -0.41 -3.48 0.03 0.00 -1.51 0.00 0.00 37.83 32.47 1pwp s LYS 303 CO 0.44 0.00 1.60 1.57 -0.36 0.00 0.00 175.35 178.59 1pwp h LYS 304 N 6.94 -0.28 -0.19 4.03 -0.00 -1.99 -2.11 116.57 122.97 1pwp h LYS 304 Ca -0.38 0.02 -0.05 0.00 -0.00 0.00 0.00 60.65 60.24 1pwp h LYS 304 Cb 1.18 0.06 -0.01 0.00 -0.00 0.00 0.00 32.23 33.46 1pwp h LYS 304 CO 0.76 -0.19 -0.09 0.38 -0.00 0.00 0.00 179.45 180.31 1pwp h ASP 305 N -0.30 0.28 -0.70 7.07 -0.00 -2.00 -2.46 116.42 118.32 1pwp h ASP 305 Ca 0.15 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.03 57.12 1pwp h ASP 305 Cb 0.55 -0.07 -0.03 0.00 -0.00 0.00 0.00 39.33 39.77 1pwp h ASP 305 CO -0.51 0.41 0.40 0.44 -0.00 0.00 0.00 179.24 179.98 1pwp h ASP 306 N 0.28 0.86 -0.28 4.15 3.32 -1.81 -2.04 116.42 120.90 1pwp h ASP 306 Ca 0.06 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1pwp h ASP 306 Cb 0.35 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1pwp h ASP 306 CO 0.02 0.69 0.05 0.40 -1.72 0.00 0.00 179.24 178.68 1pwp h ILE 307 N 0.96 1.19 0.56 0.35 1.08 -1.04 -2.99 117.51 117.62 1pwp h ILE 307 Ca 0.25 -0.73 -0.03 0.00 -0.39 0.00 0.00 64.86 63.96 1pwp h ILE 307 Cb 0.01 0.86 0.01 0.00 -3.07 0.00 0.00 36.82 34.63 1pwp h ILE 307 CO -0.04 0.26 -0.27 0.40 -0.69 0.00 0.00 178.15 177.80 1pwp h ILE 308 N 0.55 0.00 -0.12 -0.67 2.04 -0.95 -3.21 117.51 115.14 1pwp h ILE 308 Ca 0.12 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.57 1pwp h ILE 308 Cb 0.28 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1pwp h ILE 308 CO 0.00 0.00 0.34 0.45 0.00 0.00 0.00 178.15 178.94 1pwp h HIS 309 N -1.20 0.00 -0.00 1.37 3.86 -1.44 0.28 115.15 118.01 1pwp h HIS 309 Ca -0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1pwp h HIS 309 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1pwp h HIS 309 CO 0.00 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 177.66 1pwp n SER 310 N -3.19 0.32 -4.89 2.45 3.41 -1.13 -4.85 113.62 105.74 1pwp n SER 310 Ca 0.01 -1.11 -0.32 0.00 -0.26 0.00 0.00 58.87 57.19 1pwp n SER 310 Cb 0.43 -0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.33 1pwp n SER 310 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1pwp s LEU 311 N -2.00 4.22 0.60 1.04 1.43 0.97 -5.09 118.68 119.86 1pwp s LEU 311 Ca 0.46 0.75 -0.07 0.00 -1.03 0.00 0.00 54.13 54.24 1pwp s LEU 311 Cb 0.22 -3.49 0.01 0.00 0.03 0.00 0.00 46.19 42.95 1pwp s LEU 311 CO 0.36 -0.01 0.93 -0.94 0.23 0.00 0.00 176.35 176.92 1pwp s SER 312 N -2.40 5.62 0.31 2.29 1.04 -1.26 -4.85 113.70 114.46 1pwp s SER 312 Ca 0.44 0.82 0.01 0.00 0.48 0.00 0.00 55.95 57.70 1pwp s SER 312 Cb -0.12 -1.79 0.55 0.00 0.10 0.00 0.00 66.02 64.76 1pwp s SER 312 CO 0.23 -1.08 1.92 1.56 0.98 0.00 0.00 173.24 176.85 1pwp h GLN 313 N -0.24 0.97 0.00 4.02 1.08 -1.99 0.17 115.11 119.13 1pwp h GLN 313 Ca -0.45 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 1pwp h GLN 313 Cb 1.25 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 28.46 1pwp h GLN 313 CO 0.61 0.64 0.00 -1.91 -0.95 0.00 0.00 178.83 177.22 1pwp n GLU 314 N -4.49 0.11 -0.08 1.46 0.00 -1.26 -2.29 120.64 114.09 1pwp n GLU 314 Ca 0.13 0.33 -0.13 0.00 0.00 0.00 0.00 57.16 57.49 1pwp n GLU 314 Cb 0.20 -1.69 -0.15 0.00 0.00 0.00 0.00 31.44 29.80 1pwp n GLU 314 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1pwp n GLU 315 N -1.89 0.68 0.28 5.31 1.02 0.46 -3.63 120.64 122.86 1pwp n GLU 315 Ca 0.03 0.11 0.17 0.00 -0.02 0.00 0.00 57.16 57.45 1pwp n GLU 315 Cb 0.21 -1.59 0.77 0.00 -0.02 0.00 0.00 31.44 30.82 1pwp n GLU 315 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1pwp h LYS 316 N 0.01 0.00 0.10 3.49 1.57 -0.85 -2.14 116.57 118.75 1pwp h LYS 316 Ca -0.50 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.28 1pwp h LYS 316 Cb 2.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.42 1pwp h LYS 316 CO 0.02 0.04 -0.05 1.49 -0.57 0.00 0.00 179.45 180.38 1pwp h GLU 317 N 0.00 -0.13 -0.25 3.15 4.57 -1.58 -3.02 114.58 117.32 1pwp h GLU 317 Ca -0.00 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.23 1pwp h GLU 317 Cb 0.42 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 1pwp h GLU 317 CO 0.00 0.36 0.17 -0.07 -1.18 0.00 0.00 179.01 178.30 1pwp h LEU 318 N -0.88 0.14 -0.09 1.64 4.07 -1.57 -1.96 115.31 116.66 1pwp h LEU 318 Ca -0.01 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1pwp h LEU 318 Cb 0.56 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.26 1pwp h LEU 318 CO 0.02 0.09 0.03 0.25 -1.08 0.00 0.00 178.44 177.76 1pwp h LEU 319 N 0.16 0.12 -1.14 1.67 5.85 -1.44 0.32 115.31 120.85 1pwp h LEU 319 Ca 0.11 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.72 1pwp h LEU 319 Cb 0.24 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1pwp h LEU 319 CO -0.02 0.26 0.59 0.11 -0.34 0.00 0.00 178.44 179.04 1pwp h LYS 320 N -0.02 1.02 0.00 1.25 1.57 -1.22 -3.13 116.57 116.04 1pwp h LYS 320 Ca 0.03 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1pwp h LYS 320 Cb 0.18 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1pwp h LYS 320 CO -0.00 0.67 -1.14 0.54 -0.57 0.00 0.00 179.45 178.95 1pwp n ARG 321 N -4.48 0.55 -2.25 3.15 1.74 -1.09 -4.97 116.66 109.31 1pwp n ARG 321 Ca 0.13 -0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.75 1pwp n ARG 321 Cb 0.18 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 1pwp n ARG 321 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1pwp s ILE 322 N -2.97 3.64 -0.95 0.55 2.07 0.11 -4.95 121.20 118.70 1pwp s ILE 322 Ca 0.04 1.11 -0.21 0.00 -1.41 0.00 0.00 60.65 60.19 1pwp s ILE 322 Cb 0.14 -3.72 0.09 0.00 0.13 0.00 0.00 42.46 39.11 1pwp s ILE 322 CO 0.81 0.05 1.26 -1.10 -1.91 0.00 0.00 174.94 174.05 1pwp s GLN 323 N 1.69 3.56 0.19 3.50 -1.52 -1.26 -4.88 119.66 120.94 1pwp s GLN 323 Ca 0.63 -1.42 -0.12 0.00 -1.95 0.00 0.00 55.36 52.50 1pwp s GLN 323 Cb -0.33 -5.05 0.18 0.00 -0.22 0.00 0.00 33.01 27.59 1pwp s GLN 323 CO 0.28 -1.97 1.74 0.82 -0.25 0.00 0.00 175.29 175.92 1pwp h ILE 324 N 6.25 0.80 -0.15 1.08 2.04 -1.95 -3.22 117.51 122.36 1pwp h ILE 324 Ca 0.15 -0.11 -0.58 0.00 1.00 0.00 0.00 64.86 65.31 1pwp h ILE 324 Cb 1.02 0.44 0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1pwp h ILE 324 CO 1.25 0.06 2.07 0.47 0.00 0.00 0.00 178.15 182.00 1pwp n ASP 325 N -5.03 2.86 -0.12 1.72 8.00 -1.26 -2.29 116.55 120.43 1pwp n ASP 325 Ca 0.05 -2.71 0.00 0.00 0.71 0.00 0.00 54.79 52.85 1pwp n ASP 325 Cb 0.22 -1.33 0.00 0.00 -0.02 0.00 0.00 41.12 39.99 1pwp n ASP 325 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1pwp n SER 326 N 9.05 0.00 -4.62 -2.24 7.64 -1.22 -5.12 113.62 117.12 1pwp n SER 326 Ca 0.49 -0.27 -0.30 0.00 1.01 0.00 0.00 58.87 59.79 1pwp n SER 326 Cb 0.42 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.53 1pwp n SER 326 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1pwp s SER 327 N 0.00 4.65 -0.07 6.43 0.15 -0.97 -4.67 113.70 119.22 1pwp s SER 327 Ca 0.00 -0.28 -0.06 0.00 0.70 0.00 0.00 55.95 56.31 1pwp s SER 327 Cb 0.00 -1.00 -0.02 0.00 -1.71 0.00 0.00 66.02 63.29 1pwp s SER 327 CO 0.00 0.19 -0.11 0.47 1.20 0.00 0.00 173.24 174.99 1pwp n ASP 328 N 0.77 0.82 0.00 5.45 8.00 -1.26 -4.42 116.55 125.91 1pwp n ASP 328 Ca -0.13 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1pwp n ASP 328 Cb 0.52 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1pwp n ASP 328 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1pwp n PHE 329 N -3.32 0.00 -4.33 1.24 1.16 -1.26 -4.53 117.46 106.42 1pwp n PHE 329 Ca -0.05 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.19 1pwp n PHE 329 Cb 0.17 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 37.94 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 -1.64 3.59 0.32 5.98 1.43 -1.26 -5.06 118.68 122.04 1pwp s LEU 330 Ca 0.00 0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.27 1pwp s LEU 330 Cb 0.00 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 1pwp s LEU 330 CO 0.00 0.34 0.47 -0.94 0.23 0.00 0.00 176.35 176.44 1pwp s SER 331 N -0.63 6.05 0.23 2.29 1.04 -1.26 -4.86 113.70 116.56 1pwp s SER 331 Ca 0.10 -0.07 -0.07 0.00 0.48 0.00 0.00 55.95 56.39 1pwp s SER 331 Cb -0.12 -1.42 0.38 0.00 0.10 0.00 0.00 66.02 64.96 1pwp s SER 331 CO 0.02 -0.37 1.69 0.74 0.98 0.00 0.00 173.24 176.30 1pwp h THR 332 N 0.90 0.55 -0.63 2.02 2.02 -1.98 0.78 112.91 116.57 1pwp h THR 332 Ca -0.47 -0.08 0.05 0.00 0.77 0.00 0.00 66.41 66.67 1pwp h THR 332 Cb 1.25 0.28 -0.05 0.00 -1.74 0.00 0.00 68.15 67.89 1pwp h THR 332 CO 0.55 0.04 0.35 -0.33 0.37 0.00 0.00 175.52 176.51 1pwp h GLU 333 N 0.24 0.64 0.05 6.66 4.39 -2.00 -1.17 114.58 123.40 1pwp h GLU 333 Ca 0.37 -0.04 -0.24 0.00 0.34 0.00 0.00 59.36 59.79 1pwp h GLU 333 Cb 0.60 -0.14 0.02 0.00 -0.10 0.00 0.00 28.75 29.13 1pwp h GLU 333 CO -0.48 0.42 -0.97 0.93 -1.16 0.00 0.00 179.01 177.75 1pwp h GLU 334 N 0.66 0.57 0.30 2.33 5.08 -1.45 -3.13 114.58 118.94 1pwp h GLU 334 Ca 0.27 -0.68 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1pwp h GLU 334 Cb 0.14 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1pwp h GLU 334 CO -0.16 1.28 -0.19 0.87 -1.00 0.00 0.00 179.01 179.81 1pwp h LYS 335 N 0.16 -0.46 -0.49 2.33 1.57 0.66 -0.42 116.57 119.93 1pwp h LYS 335 Ca -0.14 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.76 1pwp h LYS 335 Cb 1.66 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 34.05 1pwp h LYS 335 CO 0.19 -0.31 0.33 0.93 -0.57 0.00 0.00 179.45 180.03 1pwp h GLU 336 N -0.48 0.31 -0.15 3.15 5.08 -1.34 0.33 114.58 121.48 1pwp h GLU 336 Ca -0.03 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1pwp h GLU 336 Cb 0.40 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1pwp h GLU 336 CO 0.02 0.20 -0.28 0.35 -1.00 0.00 0.00 179.01 178.31 1pwp h PHE 337 N 0.32 0.56 -0.16 4.33 3.57 -1.36 -3.16 116.94 121.05 1pwp h PHE 337 Ca 0.22 -0.20 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1pwp h PHE 337 Cb 0.46 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1pwp h PHE 337 CO -0.00 0.91 0.04 -0.07 -2.23 0.00 0.00 178.31 176.95 1pwp h LEU 338 N 0.06 0.24 -2.05 0.59 3.38 -0.29 -2.73 115.31 114.51 1pwp h LEU 338 Ca 0.01 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 57.80 1pwp h LEU 338 Cb 0.87 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1pwp h LEU 338 CO 0.06 0.41 0.35 0.11 0.09 0.00 0.00 178.44 179.47 1pwp h LYS 339 N 0.05 0.00 -0.03 1.13 1.57 -1.03 0.91 116.57 119.17 1pwp h LYS 339 Ca 0.05 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.64 1pwp h LYS 339 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1pwp h LYS 339 CO 0.00 0.00 -0.79 0.87 -0.57 0.00 0.00 179.45 178.96 1pwp h LYS 340 N 0.00 0.27 0.10 3.15 1.57 -1.45 -2.75 116.57 117.47 1pwp h LYS 340 Ca 0.09 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1pwp h LYS 340 Cb 0.80 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1pwp h LYS 340 CO -0.00 0.93 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.69 1pwp h LEU 341 N 0.17 -0.12 -1.79 2.94 3.38 0.84 -0.57 115.31 120.17 1pwp h LEU 341 Ca -0.04 -0.23 0.28 0.00 0.09 0.00 0.00 57.88 57.98 1pwp h LEU 341 Cb 1.38 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 42.10 1pwp h LEU 341 CO 0.13 0.17 0.70 -0.61 0.09 0.00 0.00 178.44 178.91 1pwp h GLN 342 N -0.40 0.14 0.04 1.13 4.15 -1.26 0.24 115.11 119.15 1pwp h GLN 342 Ca -0.01 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.27 1pwp h GLN 342 Cb 0.34 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.01 1pwp h GLN 342 CO 0.02 0.09 -0.51 0.82 -1.93 0.00 0.00 178.83 177.33 1pwp h ILE 343 N 0.15 1.52 -0.27 2.39 1.08 -1.13 -2.04 117.51 119.21 1pwp h ILE 343 Ca 0.51 -2.21 0.04 0.00 -0.39 0.00 0.00 64.86 62.80 1pwp h ILE 343 Cb 1.74 2.91 -0.04 0.00 -3.07 0.00 0.00 36.82 38.36 1pwp h ILE 343 CO -0.10 0.62 0.05 0.44 -0.69 0.00 0.00 178.15 178.47 1pwp h ASP 344 N -0.39 0.00 -0.50 1.72 3.32 0.86 -1.50 116.42 119.94 1pwp h ASP 344 Ca -0.08 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 1pwp h ASP 344 Cb 1.30 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.89 1pwp h ASP 344 CO 0.10 0.04 0.12 0.40 -1.72 0.00 0.00 179.24 178.18 1pwp h ILE 345 N 0.15 1.23 0.00 0.35 1.08 -0.77 -3.06 117.51 116.49 1pwp h ILE 345 Ca 0.13 -0.85 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 1pwp h ILE 345 Cb 0.13 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 34.56 1pwp h ILE 345 CO -0.17 0.32 0.00 0.03 -0.69 0.00 0.00 178.15 177.64 1pwp h ARG 346 N 0.82 0.00 -1.51 2.37 3.08 -0.52 -3.27 114.38 115.35 1pwp h ARG 346 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1pwp h ARG 346 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1pwp h ARG 346 CO 0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.65 1pwp n ASP 347 N -3.04 4.13 -3.98 7.04 10.43 -0.90 -4.56 116.55 125.66 1pwp n ASP 347 Ca 0.01 -2.19 -0.31 0.00 2.57 0.00 0.00 54.79 54.87 1pwp n ASP 347 Cb 0.31 -0.81 -0.11 0.00 1.84 0.00 0.00 41.12 42.35 1pwp n ASP 347 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 1pwp s SER 348 N 1.50 5.11 0.17 -2.24 0.15 -1.23 -5.04 113.70 112.12 1pwp s SER 348 Ca 0.00 -3.62 0.00 0.00 0.70 0.00 0.00 55.95 53.03 1pwp s SER 348 Cb 0.00 -1.73 0.00 0.00 -1.71 0.00 0.00 66.02 62.58 1pwp s SER 348 CO 0.00 -0.16 0.00 -0.11 1.20 0.00 0.00 173.24 174.17 1pwp n LEU 349 N 2.35 0.00 -0.10 3.45 7.94 -1.26 -4.89 117.00 124.48 1pwp n LEU 349 Ca 0.17 0.30 -0.16 0.00 -1.11 0.00 0.00 56.01 55.21 1pwp n LEU 349 Cb 0.35 -0.85 -0.06 0.00 0.53 0.00 0.00 43.42 43.40 1pwp n LEU 349 CO 0.31 -0.71 -0.82 -1.20 -1.11 0.00 0.00 177.39 173.86 1pwp n SER 350 N -1.34 1.91 -0.29 1.96 7.64 -1.26 -4.49 113.62 117.74 1pwp n SER 350 Ca 0.00 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1pwp n SER 350 Cb 0.13 -0.82 0.05 0.00 -1.01 0.00 0.00 64.21 62.56 1pwp n SER 350 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1pwp n GLU 351 N -4.43 -0.16 0.01 1.43 0.00 -1.26 0.20 120.64 116.44 1pwp n GLU 351 Ca -0.27 1.18 0.02 0.00 0.00 0.00 0.00 57.16 58.09 1pwp n GLU 351 Cb 0.60 -1.76 0.35 0.00 0.00 0.00 0.00 31.44 30.63 1pwp n GLU 351 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1pwp h GLU 352 N 0.00 0.50 -0.77 5.31 4.81 -1.90 -2.63 114.58 119.90 1pwp h GLU 352 Ca 0.29 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.50 1pwp h GLU 352 Cb 0.48 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 1pwp h GLU 352 CO -0.77 0.46 0.50 0.93 -0.73 0.00 0.00 179.01 179.41 1pwp h GLU 353 N 0.49 0.82 -0.65 1.92 4.39 -0.47 1.20 114.58 122.28 1pwp h GLU 353 Ca 0.12 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 1pwp h GLU 353 Cb 0.19 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 1pwp h GLU 353 CO -0.00 0.54 0.28 0.87 -1.16 0.00 0.00 179.01 179.54 1pwp h LYS 354 N 0.84 0.95 0.64 2.33 1.57 -1.36 -2.69 116.57 118.85 1pwp h LYS 354 Ca 0.33 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1pwp h LYS 354 Cb 0.20 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.36 1pwp h LYS 354 CO -0.11 0.78 -0.31 1.49 -0.57 0.00 0.00 179.45 180.73 1pwp h GLU 355 N 0.90 -0.83 0.79 3.15 4.81 -0.43 -3.29 114.58 119.68 1pwp h GLU 355 Ca 0.22 0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.47 1pwp h GLU 355 Cb 0.16 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1pwp h GLU 355 CO -0.02 -0.55 -0.44 -0.07 -0.73 0.00 0.00 179.01 177.19 1pwp h LEU 356 N -0.98 -1.10 -1.28 1.64 3.38 0.12 -2.17 115.31 114.92 1pwp h LEU 356 Ca -0.09 0.05 0.39 0.00 0.09 0.00 0.00 57.88 58.33 1pwp h LEU 356 Cb 0.66 0.31 -0.13 0.00 0.09 0.00 0.00 40.66 41.58 1pwp h LEU 356 CO 0.14 -0.71 0.74 -0.07 0.09 0.00 0.00 178.44 178.64 1pwp h LEU 357 N -1.14 0.33 0.00 1.67 3.38 -1.64 -3.21 115.31 114.69 1pwp h LEU 357 Ca -0.11 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1pwp h LEU 357 Cb 0.90 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1pwp h LEU 357 CO 0.14 -0.18 0.00 -3.20 0.09 0.00 0.00 178.44 175.29 1pwp n ASN 358 N -4.82 0.00 -4.67 -0.43 4.05 -1.22 -5.13 115.26 103.04 1pwp n ASN 358 Ca 0.35 0.15 -0.45 0.00 0.45 0.00 0.00 54.58 55.08 1pwp n ASN 358 Cb 1.27 -0.46 -0.04 0.00 1.23 0.00 0.00 39.78 41.78 1pwp n ASN 358 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 1pwp n ARG 359 N -2.25 2.57 -0.48 1.20 0.00 -0.82 -5.13 116.66 111.74 1pwp n ARG 359 Ca 0.00 0.94 -0.01 0.00 -0.00 0.00 0.00 57.85 58.78 1pwp n ARG 359 Cb 0.00 -2.84 -0.02 0.00 0.00 0.00 0.00 32.46 29.60 1pwp n ARG 359 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1pwp n ASP 363 N 6.96 4.60 -2.19 6.15 8.00 -1.26 -5.03 116.55 133.78 1pwp n ASP 363 Ca 0.21 -2.23 -0.29 0.00 0.71 0.00 0.00 54.79 53.19 1pwp n ASP 363 Cb 0.36 -1.00 0.04 0.00 -0.02 0.00 0.00 41.12 40.49 1pwp n ASP 363 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1pwp n SER 364 N 1.69 6.06 -0.01 -2.24 2.88 -1.26 -4.62 113.62 116.12 1pwp n SER 364 Ca 0.05 -3.77 -0.08 0.00 -1.33 0.00 0.00 58.87 53.74 1pwp n SER 364 Cb 0.48 -0.61 -0.13 0.00 -0.75 0.00 0.00 64.21 63.19 1pwp n SER 364 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1pwp h SER 365 N 2.15 0.00 -0.59 -3.46 0.87 -2.06 -3.38 113.55 107.08 1pwp h SER 365 Ca 0.46 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.97 1pwp h SER 365 Cb 1.19 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 1pwp h SER 365 CO 1.10 0.95 0.15 0.78 -0.53 0.00 0.00 176.83 179.29 1pwp h ASN 366 N 0.00 0.90 -0.76 6.23 4.21 -2.00 -3.44 115.58 120.72 1pwp h ASN 366 Ca -0.26 -0.23 -0.72 0.00 1.21 0.00 0.00 56.30 56.30 1pwp h ASN 366 Cb 1.96 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 38.90 1pwp h ASN 366 CO 0.08 0.89 1.30 -2.65 -1.29 0.00 0.00 177.43 175.76 1pwp n PRO 367 N -4.37 0.68 -2.32 0.81 -0.02 -1.26 -4.90 135.00 123.62 1pwp n PRO 367 Ca 0.03 0.20 -0.35 0.00 -2.02 0.00 0.00 63.50 61.36 1pwp n PRO 367 Cb 0.23 -2.05 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 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 6.28 3.80 0.96 2.45 1.43 -1.26 -4.99 118.68 127.36 1pwp s LEU 368 Ca 1.12 2.15 -0.12 0.00 -1.03 0.00 0.00 54.13 56.24 1pwp s LEU 368 Cb -1.13 -4.53 0.08 0.00 0.03 0.00 0.00 46.19 40.64 1pwp s LEU 368 CO 0.58 -1.09 0.59 -1.20 0.23 0.00 0.00 176.35 175.45 1pwp n SER 369 N -1.12 -1.49 0.13 2.29 7.64 -1.26 -4.76 113.62 115.05 1pwp n SER 369 Ca 0.11 0.30 -0.00 0.00 1.01 0.00 0.00 58.87 60.28 1pwp n SER 369 Cb 0.51 -1.26 0.26 0.00 -1.01 0.00 0.00 64.21 62.71 1pwp n SER 369 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1pwp h GLU 370 N -1.73 0.12 0.00 1.43 9.09 -2.00 -2.11 114.58 119.38 1pwp h GLU 370 Ca -0.45 -0.05 -0.23 0.00 0.05 0.00 0.00 59.36 58.67 1pwp h GLU 370 Cb 1.29 -0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.35 1pwp h GLU 370 CO 0.37 0.53 -1.40 0.87 0.05 0.00 0.00 179.01 179.42 1pwp h LYS 371 N 0.10 0.00 -0.41 1.06 1.57 -2.00 -3.26 116.57 113.62 1pwp h LYS 371 Ca 0.01 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1pwp h LYS 371 Cb 0.81 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1pwp h LYS 371 CO 0.06 0.56 -0.24 0.93 -0.57 0.00 0.00 179.45 180.19 1pwp h GLU 372 N 0.00 0.84 -0.10 3.15 5.08 -1.85 -1.81 114.58 119.89 1pwp h GLU 372 Ca -0.18 -0.36 0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1pwp h GLU 372 Cb 1.82 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.03 1pwp h GLU 372 CO 0.08 0.99 0.01 0.87 -1.00 0.00 0.00 179.01 179.97 1pwp h LYS 373 N 0.73 0.05 -0.96 2.33 1.57 -1.50 -1.14 116.57 117.64 1pwp h LYS 373 Ca 0.09 -0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.98 1pwp h LYS 373 Cb 0.78 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 33.00 1pwp h LYS 373 CO 0.06 0.03 0.61 1.49 -0.57 0.00 0.00 179.45 181.08 1pwp h GLU 374 N 0.05 0.94 -0.31 3.15 4.81 -1.55 -0.85 114.58 120.82 1pwp h GLU 374 Ca 0.05 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1pwp h GLU 374 Cb 0.05 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1pwp h GLU 374 CO -0.07 0.62 0.07 0.35 -0.73 0.00 0.00 179.01 179.24 1pwp h PHE 375 N 0.96 0.53 -0.68 0.92 3.57 -0.53 -2.33 116.94 119.39 1pwp h PHE 375 Ca 0.46 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.82 1pwp h PHE 375 Cb 0.44 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1pwp h PHE 375 CO -0.00 0.57 0.13 -0.07 -2.23 0.00 0.00 178.31 176.71 1pwp h LEU 376 N 0.34 1.07 -1.06 0.59 3.38 -0.41 0.90 115.31 120.12 1pwp h LEU 376 Ca 0.10 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1pwp h LEU 376 Cb 0.31 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1pwp h LEU 376 CO 0.00 1.05 0.62 0.11 0.09 0.00 0.00 178.44 180.31 1pwp h LYS 377 N 1.05 1.25 -0.18 1.13 1.57 -1.08 0.25 116.57 120.57 1pwp h LYS 377 Ca 0.21 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1pwp h LYS 377 Cb 0.42 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1pwp h LYS 377 CO 0.01 0.83 -0.14 0.87 -0.57 0.00 0.00 179.45 180.45 1pwp h LYS 378 N 1.29 0.42 -0.92 3.15 1.57 -0.89 -3.03 116.57 118.17 1pwp h LYS 378 Ca 0.35 -0.21 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1pwp h LYS 378 Cb -0.14 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.12 1pwp h LYS 378 CO -0.07 0.75 0.60 -0.07 -0.57 0.00 0.00 179.45 180.10 1pwp h LEU 379 N 0.09 1.01 -0.25 2.94 3.38 -0.33 -2.74 115.31 119.41 1pwp h LEU 379 Ca 0.03 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1pwp h LEU 379 Cb 0.66 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1pwp h LEU 379 CO 0.04 0.70 -0.14 0.50 0.09 0.00 0.00 178.44 179.63 1pwp h LYS 380 N 1.18 -0.11 -0.73 1.13 3.64 -0.39 -1.97 116.57 119.32 1pwp h LYS 380 Ca 0.36 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.77 1pwp h LYS 380 Cb -0.03 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 1pwp h LYS 380 CO -0.10 -0.08 0.47 -0.07 -2.27 0.00 0.00 179.45 177.40 1pwp h LEU 381 N -0.12 0.79 -0.57 5.20 3.38 -1.45 -2.91 115.31 119.63 1pwp h LEU 381 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1pwp h LEU 381 Cb 0.32 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1pwp h LEU 381 CO -0.32 0.55 0.00 0.47 0.09 0.00 0.00 178.44 179.23 1pwp n ASP 382 N -4.62 0.65 -1.44 -0.43 8.00 -0.80 -3.15 116.55 114.76 1pwp n ASP 382 Ca 0.08 0.64 0.08 0.00 0.71 0.00 0.00 54.79 56.30 1pwp n ASP 382 Cb 0.06 -0.79 0.34 0.00 -0.02 0.00 0.00 41.12 40.71 1pwp n ASP 382 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1pwp n ILE 383 N -2.20 2.31 -3.15 0.53 -5.35 -0.87 -4.95 119.36 105.68 1pwp n ILE 383 Ca 0.03 -1.49 -0.39 0.00 -0.27 0.00 0.00 62.75 60.63 1pwp n ILE 383 Cb 0.25 -0.13 -0.06 0.00 -1.74 0.00 0.00 39.64 37.97 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 -2.47 4.35 0.66 6.28 -1.52 -1.19 -4.74 119.66 121.03 1pwp s GLN 384 Ca 0.48 0.85 -0.18 0.00 -1.95 0.00 0.00 55.36 54.56 1pwp s GLN 384 Cb 0.36 -3.31 -0.00 0.00 -0.22 0.00 0.00 33.01 29.83 1pwp s GLN 384 CO 0.16 0.44 1.29 -2.14 -0.25 0.00 0.00 175.29 174.78 1pwp s PRO 385 N -0.48 2.49 -0.80 2.91 0.02 -1.26 -4.73 135.00 133.14 1pwp s PRO 385 Ca 0.33 2.04 -0.24 0.00 0.02 0.00 0.00 61.00 63.15 1pwp s PRO 385 Cb -0.19 -1.84 0.06 0.00 0.02 0.00 0.00 34.50 32.54 1pwp s PRO 385 CO 0.20 -1.64 1.21 -0.47 -0.33 0.00 0.00 177.00 175.97 1pwp s TYR 386 N -1.45 2.55 -0.34 6.54 5.04 -0.25 -4.91 117.35 124.52 1pwp s TYR 386 Ca 0.82 -0.53 0.04 0.00 -2.44 0.00 0.00 57.07 54.96 1pwp s TYR 386 Cb -0.37 -4.51 0.10 0.00 0.35 0.00 0.00 41.96 37.53 1pwp s TYR 386 CO 0.40 -1.86 0.06 0.34 -1.34 0.00 0.00 175.55 173.15 1pwp s ASP 387 N 3.99 4.74 0.15 4.32 -1.08 -1.26 -2.26 116.67 125.27 1pwp s ASP 387 Ca 0.34 -2.16 -0.20 0.00 -0.52 0.00 0.00 52.55 50.00 1pwp s ASP 387 Cb -0.08 -1.61 0.03 0.00 -1.46 0.00 0.00 42.92 39.79 1pwp s ASP 387 CO 0.05 -0.38 1.66 0.40 0.52 0.00 0.00 175.17 177.42 1pwp h ILE 388 N 6.59 0.57 -0.35 4.11 1.08 -1.87 0.04 117.51 127.67 1pwp h ILE 388 Ca -0.04 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1pwp h ILE 388 Cb 1.02 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 35.32 1pwp h ILE 388 CO 0.52 0.00 0.22 0.78 -0.69 0.00 0.00 178.15 178.98 1pwp h ASN 389 N -0.12 0.41 -0.85 1.72 2.35 -1.94 -1.92 115.58 115.22 1pwp h ASN 389 Ca 0.14 -0.04 0.11 0.00 -0.55 0.00 0.00 56.30 55.96 1pwp h ASN 389 Cb 0.33 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.53 1pwp h ASN 389 CO -0.32 0.33 0.55 -0.61 -1.65 0.00 0.00 177.43 175.73 1pwp h GLN 390 N 0.46 0.73 0.26 0.81 5.75 -1.82 -1.31 115.11 119.99 1pwp h GLN 390 Ca 0.13 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.57 1pwp h GLN 390 Cb -0.01 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.37 1pwp h GLN 390 CO -0.02 0.48 -0.12 -0.09 -2.65 0.00 0.00 178.83 176.43 1pwp h ARG 391 N 0.75 -0.33 -0.92 1.69 1.12 -0.34 -0.76 114.38 115.59 1pwp h ARG 391 Ca 0.41 0.02 0.10 0.00 -1.11 0.00 0.00 59.98 59.40 1pwp h ARG 391 Cb 0.53 0.08 -0.07 0.00 -0.01 0.00 0.00 29.97 30.50 1pwp h ARG 391 CO -0.17 -0.08 0.59 -0.07 -3.11 0.00 0.00 179.97 177.12 1pwp h LEU 392 N -0.55 0.83 -0.18 3.80 3.38 -0.76 -2.32 115.31 119.51 1pwp h LEU 392 Ca -0.04 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 1pwp h LEU 392 Cb 0.41 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1pwp h LEU 392 CO 0.06 0.48 -0.51 -0.61 0.09 0.00 0.00 178.44 177.94 1pwp h GLN 393 N 0.91 0.66 0.00 1.13 4.15 -1.09 0.87 115.11 121.74 1pwp h GLN 393 Ca 0.43 -0.48 -0.05 0.00 0.77 0.00 0.00 58.65 59.32 1pwp h GLN 393 Cb 0.42 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 1pwp h GLN 393 CO -0.19 1.10 -0.24 -0.44 -1.93 0.00 0.00 178.83 177.13 1pwp h ASP 394 N 0.35 0.00 -0.01 -0.69 3.32 -0.80 -2.78 116.42 115.80 1pwp h ASP 394 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1pwp h ASP 394 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1pwp h ASP 394 CO 0.11 0.24 -0.21 0.35 -1.72 0.00 0.00 179.24 178.01 1pwp n THR 395 N -3.68 0.00 -2.79 0.35 -2.24 -0.90 -2.36 114.28 102.66 1pwp n THR 395 Ca -0.01 -0.39 -0.18 0.00 -2.27 0.00 0.00 64.05 61.19 1pwp n THR 395 Cb 0.36 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 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 1.08 -0.50 0.00 3.38 0.00 0.21 -1.31 105.19 108.05 1pwp n GLY 396 Ca 0.08 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.05 2.95 3.57 -0.02 0.00 -0.68 -4.91 105.19 105.04 1pwp n GLY 397 Ca -0.11 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 1pwp n GLY 397 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pwp s LEU 398 N 0.00 2.96 0.35 0.99 2.01 -0.43 -4.70 118.68 119.86 1pwp s LEU 398 Ca 0.00 -0.74 0.19 0.00 0.01 0.00 0.00 54.13 53.58 1pwp s LEU 398 Cb 0.00 -2.57 0.23 0.00 0.01 0.00 0.00 46.19 43.86 1pwp s LEU 398 CO 0.00 -3.36 1.53 0.16 1.01 0.00 0.00 176.35 175.69 1pwp h ILE 399 N 7.07 0.54 0.00 -0.59 3.07 -1.94 -3.03 117.51 122.63 1pwp h ILE 399 Ca 0.09 -1.71 0.00 0.00 1.55 0.00 0.00 64.86 64.78 1pwp h ILE 399 Cb 0.99 2.23 0.00 0.00 -0.27 0.00 0.00 36.82 39.77 1pwp h ILE 399 CO 1.14 0.30 0.00 0.47 -1.05 0.00 0.00 178.15 179.01 1pwp n ASP 400 N -3.19 0.00 -4.68 2.16 10.43 -1.26 -4.80 116.55 115.21 1pwp n ASP 400 Ca 0.03 -0.81 -0.47 0.00 2.57 0.00 0.00 54.79 56.11 1pwp n ASP 400 Cb 0.64 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 43.56 1pwp n ASP 400 CO 0.00 0.00 0.00 -0.24 -1.07 0.00 0.00 177.20 175.89 1pwp n SER 401 N -0.99 3.55 -1.54 -2.24 2.88 -1.15 -4.84 113.62 109.30 1pwp n SER 401 Ca 0.18 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1pwp n SER 401 Cb 0.08 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.13 1pwp n SER 401 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1pwp n PRO 402 N 6.24 0.64 0.00 -1.46 -0.04 -1.26 -4.27 135.00 134.85 1pwp n PRO 402 Ca 0.21 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.82 1pwp n PRO 402 Cb 0.32 -1.18 0.75 0.00 -0.04 0.00 0.00 33.50 33.35 1pwp n PRO 402 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1pwp n SER 403 N 1.47 0.29 -3.94 3.54 3.41 -1.26 -4.87 113.62 112.27 1pwp n SER 403 Ca 0.00 -0.69 -0.09 0.00 -0.26 0.00 0.00 58.87 57.83 1pwp n SER 403 Cb 0.32 -0.09 -0.08 0.00 -0.26 0.00 0.00 64.21 64.10 1pwp n SER 403 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1pwp s ILE 404 N -2.30 0.12 0.12 -1.33 -4.36 -1.26 -4.97 121.20 107.23 1pwp s ILE 404 Ca 0.36 -1.37 -0.35 0.00 -0.26 0.00 0.00 60.65 59.03 1pwp s ILE 404 Cb 0.21 -1.59 -0.16 0.00 1.25 0.00 0.00 42.46 42.17 1pwp s ILE 404 CO 0.42 -0.54 1.36 0.59 0.24 0.00 0.00 174.94 177.02 1pwp n ASN 405 N -0.10 1.95 -0.41 4.36 3.02 -1.26 -4.72 115.26 118.09 1pwp n ASN 405 Ca -0.11 1.12 0.35 0.00 -0.03 0.00 0.00 54.58 55.90 1pwp n ASN 405 Cb 0.63 -1.25 0.62 0.00 -0.61 0.00 0.00 39.78 39.16 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 4.64 0.29 -0.20 3.41 5.85 -1.98 -1.31 115.31 126.00 1pwp h LEU 406 Ca -0.46 0.16 -0.20 0.00 0.84 0.00 0.00 57.88 58.21 1pwp h LEU 406 Cb 1.32 0.14 0.01 0.00 0.37 0.00 0.00 40.66 42.50 1pwp h LEU 406 CO 0.79 -0.21 -0.66 -2.24 -0.34 0.00 0.00 178.44 175.78 1pwp h ASP 407 N 0.11 0.94 0.65 1.25 2.03 -2.00 -2.28 116.42 117.11 1pwp h ASP 407 Ca 0.81 -0.59 -0.15 0.00 -0.73 0.00 0.00 57.03 56.37 1pwp h ASP 407 Cb 2.41 -0.27 -0.02 0.00 -0.83 0.00 0.00 39.33 40.62 1pwp h ASP 407 CO -0.48 1.37 -0.71 0.58 -1.03 0.00 0.00 179.24 178.96 1pwp h VAL 408 N 0.56 1.49 -0.84 4.15 2.07 -1.64 -2.85 116.25 119.19 1pwp h VAL 408 Ca -0.03 -2.39 0.01 0.00 0.82 0.00 0.00 66.70 65.11 1pwp h VAL 408 Cb 1.29 2.29 -0.04 0.00 -1.52 0.00 0.00 31.29 33.30 1pwp h VAL 408 CO 0.14 0.69 0.55 -0.09 0.02 0.00 0.00 177.57 178.88 1pwp h ARG 409 N 0.04 1.12 -0.26 1.57 2.43 -1.25 -2.48 114.38 115.54 1pwp h ARG 409 Ca -0.01 -0.08 -0.17 0.00 -0.81 0.00 0.00 59.98 58.91 1pwp h ARG 409 Cb 1.26 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1pwp h ARG 409 CO 0.10 0.75 -0.51 0.87 -1.51 0.00 0.00 179.97 179.67 1pwp h LYS 410 N 1.15 0.74 -0.19 0.20 1.57 -1.19 -2.40 116.57 116.45 1pwp h LYS 410 Ca 0.31 -0.45 -0.12 0.00 -1.87 0.00 0.00 60.65 58.52 1pwp h LYS 410 Cb -0.11 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1pwp h LYS 410 CO -0.06 1.07 -0.39 -0.56 -0.57 0.00 0.00 179.45 178.94 1pwp h GLN 411 N 0.58 0.43 -0.71 3.15 3.07 -1.37 -1.68 115.11 118.58 1pwp h GLN 411 Ca 0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 58.65 58.55 1pwp h GLN 411 Cb 1.08 -0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.61 1pwp h GLN 411 CO 0.11 0.75 0.40 1.88 0.09 0.00 0.00 178.83 182.06 1pwp h TYR 412 N 0.36 0.96 -0.47 0.06 0.99 -1.39 -1.28 116.97 116.20 1pwp h TYR 412 Ca 0.03 -0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.69 1pwp h TYR 412 Cb 0.85 -0.31 -0.02 0.00 1.00 0.00 0.00 36.73 38.25 1pwp h TYR 412 CO 0.03 0.67 0.09 -0.22 -0.00 0.00 0.00 178.16 178.73 1pwp h LYS 413 N 0.97 0.77 0.53 4.88 3.64 -0.99 -1.14 116.57 125.23 1pwp h LYS 413 Ca 0.25 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1pwp h LYS 413 Cb 0.02 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1pwp h LYS 413 CO -0.04 0.77 -0.25 0.00 -2.27 0.00 0.00 179.45 177.65 1pwp h ARG 414 N 0.64 -0.68 -0.50 1.90 3.08 -1.06 -0.79 114.38 116.96 1pwp h ARG 414 Ca 0.14 0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.31 1pwp h ARG 414 Cb 0.36 0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.51 1pwp h ARG 414 CO 0.01 -0.45 0.18 -0.44 -1.07 0.00 0.00 179.97 178.20 1pwp h ASP 415 N -0.71 0.19 -0.45 7.04 3.32 -1.23 -0.67 116.42 123.91 1pwp h ASP 415 Ca -0.07 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1pwp h ASP 415 Cb 0.55 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1pwp h ASP 415 CO 0.12 0.14 0.26 0.40 -1.72 0.00 0.00 179.24 178.44 1pwp h ILE 416 N 0.37 1.15 0.00 0.35 2.04 -1.08 0.26 117.51 120.60 1pwp h ILE 416 Ca 0.24 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 1pwp h ILE 416 Cb 0.25 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1pwp h ILE 416 CO -0.24 0.16 -0.23 1.56 0.00 0.00 0.00 178.15 179.40 1pwp h GLN 417 N 0.60 0.00 0.12 2.37 4.20 -0.66 -1.71 115.11 120.03 1pwp h GLN 417 Ca 0.16 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.64 1pwp h GLN 417 Cb 0.02 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.82 1pwp h GLN 417 CO -0.03 0.23 -0.99 -0.91 -0.67 0.00 0.00 178.83 176.46 1pwp h ASN 418 N 0.00 0.65 -0.02 1.46 2.35 -0.46 -2.73 115.58 116.84 1pwp h ASN 418 Ca -0.00 -0.87 -0.05 0.00 -0.55 0.00 0.00 56.30 54.83 1pwp h ASN 418 Cb 0.55 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1pwp h ASN 418 CO 0.03 1.47 -0.10 0.40 -1.65 0.00 0.00 177.43 177.58 1pwp h ILE 419 N -0.06 1.17 0.11 2.81 2.04 -0.84 -0.75 117.51 121.99 1pwp h ILE 419 Ca -0.16 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 1pwp h ILE 419 Cb 1.73 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 1pwp h ILE 419 CO 0.19 0.23 -0.05 0.44 0.00 0.00 0.00 178.15 178.96 1pwp h ASP 420 N 0.26 -0.13 0.14 1.72 3.32 -1.34 -2.15 116.42 118.24 1pwp h ASP 420 Ca 0.05 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 1pwp h ASP 420 Cb 0.34 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1pwp h ASP 420 CO 0.02 0.15 -0.02 0.00 -1.72 0.00 0.00 179.24 177.67 1pwp h ALA 421 N 0.43 1.23 0.04 3.45 0.00 -1.13 -2.40 119.26 120.89 1pwp h ALA 421 Ca -0.02 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 1pwp h ALA 421 Cb 0.34 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1pwp h ALA 421 CO 0.03 0.03 -1.01 1.25 0.00 0.00 0.00 179.25 179.54 1pwp h LEU 422 N 0.00 0.28 -7.09 0.00 5.85 -0.64 -3.38 115.31 110.33 1pwp h LEU 422 Ca -0.00 -0.26 -0.80 0.00 0.84 0.00 0.00 57.88 57.66 1pwp h LEU 422 Cb 0.10 -0.09 -0.26 0.00 0.37 0.00 0.00 40.66 40.78 1pwp h LEU 422 CO 0.00 1.12 0.83 0.18 -0.34 0.00 0.00 178.44 180.24 1pwp n LEU 423 N -3.57 6.15 -0.00 2.25 4.77 -0.86 -4.65 117.00 121.08 1pwp n LEU 423 Ca -0.05 -5.08 0.08 0.00 -0.03 0.00 0.00 56.01 50.93 1pwp n LEU 423 Cb 0.90 -1.36 -0.11 0.00 -2.33 0.00 0.00 43.42 40.51 1pwp n LEU 423 CO 0.50 1.53 -0.42 0.00 -1.33 0.00 0.00 177.39 177.66 1pwp n HIS 424 N 2.11 0.00 -2.46 -1.77 1.44 -1.26 -4.52 115.22 108.76 1pwp n HIS 424 Ca 0.27 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.56 1pwp n HIS 424 Cb 0.35 -0.22 -0.02 0.00 0.12 0.00 0.00 29.99 30.22 1pwp n HIS 424 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1pwp s GLN 425 N -2.86 3.46 0.75 -1.40 -1.52 -1.26 -4.88 119.66 111.94 1pwp s GLN 425 Ca -0.01 0.50 -0.12 0.00 -1.95 0.00 0.00 55.36 53.78 1pwp s GLN 425 Cb 0.11 -4.05 0.05 0.00 -0.22 0.00 0.00 33.01 28.90 1pwp s GLN 425 CO 0.66 -1.74 1.11 -1.54 -0.25 0.00 0.00 175.29 173.54 1pwp s SER 426 N 3.72 4.48 0.23 5.90 1.04 -1.26 -1.89 113.70 125.92 1pwp s SER 426 Ca 0.51 1.98 -0.01 0.00 0.48 0.00 0.00 55.95 58.90 1pwp s SER 426 Cb -0.10 -2.54 0.23 0.00 0.10 0.00 0.00 66.02 63.71 1pwp s SER 426 CO 0.27 -2.05 1.61 -0.29 0.98 0.00 0.00 173.24 173.76 1pwp h ILE 427 N -0.76 1.29 -0.86 -1.02 6.09 -1.02 -3.46 117.51 117.77 1pwp h ILE 427 Ca -0.45 -1.51 -0.61 0.00 -1.37 0.00 0.00 64.86 60.91 1pwp h ILE 427 Cb 1.25 1.49 0.07 0.00 0.47 0.00 0.00 36.82 40.10 1pwp h ILE 427 CO 0.51 0.48 -0.26 0.61 -3.07 0.00 0.00 178.15 176.42 1pwp n GLY 428 N -0.08 -1.02 3.73 8.18 0.00 -0.60 -4.97 105.19 110.43 1pwp n GLY 428 Ca -0.01 0.43 -0.08 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.53 -0.29 0.20 1.61 0.15 -1.26 -5.02 113.70 108.56 1pwp s SER 429 Ca 0.64 -0.53 0.23 0.00 0.70 0.00 0.00 55.95 56.99 1pwp s SER 429 Cb -0.91 0.68 0.22 0.00 -1.71 0.00 0.00 66.02 64.30 1pwp s SER 429 CO 0.48 -1.24 1.26 0.71 1.20 0.00 0.00 173.24 175.66 1pwp h THR 430 N 2.05 0.00 0.00 6.45 1.35 -1.99 -3.35 112.91 117.41 1pwp h THR 430 Ca -0.23 -0.78 -0.05 0.00 -0.55 0.00 0.00 66.41 64.81 1pwp h THR 430 Cb 1.26 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 69.07 1pwp h THR 430 CO 0.28 0.00 -0.22 -0.07 -0.25 0.00 0.00 175.52 175.26 1pwp h LEU 431 N 0.00 0.00 -7.83 3.87 3.38 -1.95 -3.45 115.31 109.32 1pwp h LEU 431 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1pwp h LEU 431 Cb 0.89 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.49 1pwp h LEU 431 CO 0.00 0.22 -0.40 -0.47 0.09 0.00 0.00 178.44 177.88 1pwp s TYR 432 N -3.97 0.17 0.00 1.13 5.04 -1.26 -5.07 117.35 113.39 1pwp s TYR 432 Ca -0.02 -0.58 0.00 0.00 -2.44 0.00 0.00 57.07 54.03 1pwp s TYR 432 Cb 0.12 -0.08 0.00 0.00 0.35 0.00 0.00 41.96 42.35 1pwp s TYR 432 CO 0.63 -0.52 0.00 0.27 -1.34 0.00 0.00 175.55 174.60 1pwp n ASN 433 N 0.05 0.00 -4.81 4.32 6.94 -1.26 -4.66 115.26 115.84 1pwp n ASN 433 Ca -0.15 0.00 -0.32 0.00 -0.02 0.00 0.00 54.58 54.09 1pwp n ASN 433 Cb 0.62 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 38.07 1pwp n ASN 433 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1pwp s LYS 434 N 0.41 3.12 -0.07 -3.83 1.02 -1.26 -4.95 119.74 114.17 1pwp s LYS 434 Ca 0.00 1.12 0.00 0.00 0.02 0.00 0.00 55.97 57.11 1pwp s LYS 434 Cb 0.00 -2.01 0.02 0.00 -0.52 0.00 0.00 37.83 35.33 1pwp s LYS 434 CO 0.00 -0.97 -0.05 0.42 -0.92 0.00 0.00 175.35 173.84 1pwp s ILE 435 N -2.68 0.69 -0.09 2.17 -1.09 -1.26 -5.11 121.20 113.83 1pwp s ILE 435 Ca 0.62 -0.13 0.04 0.00 -2.23 0.00 0.00 60.65 58.94 1pwp s ILE 435 Cb -0.15 -0.74 -0.01 0.00 -1.58 0.00 0.00 42.46 39.98 1pwp s ILE 435 CO 0.44 0.29 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.93 1pwp s TYR 436 N 1.44 2.60 0.26 3.97 1.51 -1.26 -1.84 117.35 124.04 1pwp s TYR 436 Ca -0.02 -0.72 0.11 0.00 -1.01 0.00 0.00 57.07 55.43 1pwp s TYR 436 Cb -0.13 -1.70 -0.05 0.00 -0.11 0.00 0.00 41.96 39.97 1pwp s TYR 436 CO -0.03 -0.22 -0.19 -0.51 -1.11 0.00 0.00 175.55 173.48 1pwp s LEU 437 N 0.04 2.57 0.12 -1.29 1.43 0.96 -4.88 118.68 117.62 1pwp s LEU 437 Ca -0.08 -1.01 0.09 0.00 -1.03 0.00 0.00 54.13 52.10 1pwp s LEU 437 Cb -0.15 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 1pwp s LEU 437 CO 0.05 0.01 -0.22 -0.31 0.23 0.00 0.00 176.35 176.11 1pwp s TYR 438 N -2.51 1.95 -0.06 0.29 1.51 -0.04 0.06 117.35 118.55 1pwp s TYR 438 Ca 0.28 -0.41 -0.03 0.00 -1.01 0.00 0.00 57.07 55.90 1pwp s TYR 438 Cb -0.05 -1.05 0.04 0.00 -0.11 0.00 0.00 41.96 40.79 1pwp s TYR 438 CO 0.13 0.26 0.12 -2.00 -1.11 0.00 0.00 175.55 172.95 1pwp s GLU 439 N -2.03 0.02 -0.41 -0.62 2.12 -0.93 0.37 118.70 117.21 1pwp s GLU 439 Ca 0.09 0.44 -0.19 0.00 0.36 0.00 0.00 54.97 55.68 1pwp s GLU 439 Cb -0.10 -0.30 0.01 0.00 0.26 0.00 0.00 34.13 34.01 1pwp s GLU 439 CO 0.05 -0.26 0.54 -0.80 -0.54 0.00 0.00 175.26 174.25 1pwp s ASN 440 N 1.87 6.28 0.30 -1.70 0.02 -1.26 -0.17 114.94 120.27 1pwp s ASN 440 Ca -0.01 -0.35 0.09 0.00 -1.02 0.00 0.00 52.86 51.57 1pwp s ASN 440 Cb -0.12 -2.27 -0.04 0.00 0.02 0.00 0.00 41.25 38.83 1pwp s ASN 440 CO -0.05 -0.63 0.03 -0.32 0.02 0.00 0.00 177.10 176.15 1pwp s MET 441 N 2.49 2.27 -0.20 -0.60 1.75 -0.06 -4.98 119.30 119.97 1pwp s MET 441 Ca 0.18 -1.51 -0.10 0.00 -1.25 0.00 0.00 55.69 53.01 1pwp s MET 441 Cb -0.15 -2.12 -0.05 0.00 2.84 0.00 0.00 34.83 35.35 1pwp s MET 441 CO 0.16 0.26 0.15 1.21 -0.65 0.00 0.00 175.02 176.15 1pwp s ASN 442 N -3.72 6.23 0.58 1.11 3.84 -1.26 -2.18 114.94 119.54 1pwp s ASN 442 Ca 0.33 0.26 0.32 0.00 0.21 0.00 0.00 52.86 53.98 1pwp s ASN 442 Cb -0.04 -2.10 1.81 0.00 -0.55 0.00 0.00 41.25 40.37 1pwp s ASN 442 CO 0.20 0.16 2.22 -0.29 -2.79 0.00 0.00 177.10 176.60 1pwp h ILE 443 N 4.69 0.42 0.00 -5.21 2.10 -1.94 -2.09 117.51 115.48 1pwp h ILE 443 Ca -0.41 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.35 1pwp h ILE 443 Cb 1.15 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 38.00 1pwp h ILE 443 CO 0.75 0.04 0.00 0.59 -1.08 0.00 0.00 178.15 178.45 1pwp n ASN 444 N -3.62 0.64 0.17 2.19 5.03 -1.26 -0.50 115.26 117.91 1pwp n ASN 444 Ca -0.03 0.67 0.07 0.00 0.87 0.00 0.00 54.58 56.17 1pwp n ASN 444 Cb 0.13 -0.80 0.09 0.00 -1.02 0.00 0.00 39.78 38.18 1pwp n ASN 444 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.26 176.21 1pwp h ASN 445 N 0.00 0.00 0.01 6.41 -0.26 -1.72 -3.17 115.58 116.85 1pwp h ASN 445 Ca 0.00 0.00 -0.40 0.00 -0.56 0.00 0.00 56.30 55.34 1pwp h ASN 445 Cb 0.32 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.52 1pwp h ASN 445 CO 0.00 0.27 -2.35 0.18 -1.06 0.00 0.00 177.43 174.47 1pwp n LEU 446 N -3.16 2.45 -3.18 1.61 4.32 -0.71 -4.85 117.00 113.48 1pwp n LEU 446 Ca 0.03 0.13 0.03 0.00 -0.02 0.00 0.00 56.01 56.18 1pwp n LEU 446 Cb 0.64 -0.90 -0.00 0.00 -1.62 0.00 0.00 43.42 41.53 1pwp n LEU 446 CO 0.38 0.73 0.10 0.28 -1.22 0.00 0.00 177.39 177.66 1pwp s THR 447 N -2.51 -0.99 0.38 -5.08 -1.32 0.34 -3.98 115.64 102.48 1pwp s THR 447 Ca -0.35 0.00 0.34 0.00 -1.21 0.00 0.00 61.69 60.48 1pwp s THR 447 Cb 0.11 -0.51 0.37 0.00 -1.51 0.00 0.00 72.50 70.96 1pwp s THR 447 CO 0.57 0.00 2.12 0.00 -2.21 0.00 0.00 174.62 175.11 1pwp h ALA 448 N 7.50 1.10 -0.13 11.08 0.00 -1.09 -1.68 119.26 136.04 1pwp h ALA 448 Ca 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pwp h ALA 448 Cb 1.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1pwp h ALA 448 CO 0.12 0.06 0.07 1.15 0.00 0.00 0.00 179.25 180.65 1pwp h THR 449 N 0.00 1.10 0.01 0.00 2.02 -1.82 -2.93 112.91 111.29 1pwp h THR 449 Ca -0.00 -0.27 -0.20 0.00 0.77 0.00 0.00 66.41 66.71 1pwp h THR 449 Cb 0.31 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1pwp h THR 449 CO 0.01 0.09 -0.91 -0.07 0.37 0.00 0.00 175.52 175.00 1pwp h LEU 450 N 0.11 0.21 -2.21 2.58 3.38 -1.85 -3.25 115.31 114.27 1pwp h LEU 450 Ca 0.04 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1pwp h LEU 450 Cb 0.08 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1pwp h LEU 450 CO -0.01 1.01 0.19 1.23 0.09 0.00 0.00 178.44 180.96 1pwp h GLY 451 N 2.02 0.00 0.91 0.83 0.00 -1.13 -1.44 103.07 104.26 1pwp h GLY 451 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 1pwp h GLY 451 CO 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.64 1pwp h ALA 452 N 1.60 0.45 -0.33 3.60 0.00 -1.56 -3.28 119.26 119.74 1pwp h ALA 452 Ca 0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 1pwp h ALA 452 Cb 0.38 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1pwp h ALA 452 CO 0.00 0.24 -0.04 -0.25 0.00 0.00 0.00 179.25 179.20 1pwp n ASP 453 N -4.49 2.85 0.15 0.00 8.00 -0.58 -4.71 116.55 117.77 1pwp n ASP 453 Ca -0.02 -3.55 -0.09 0.00 0.71 0.00 0.00 54.79 51.83 1pwp n ASP 453 Cb 0.30 -0.61 -0.05 0.00 -0.02 0.00 0.00 41.12 40.73 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 1.17 -0.39 -9.95 0.64 5.85 -1.51 -3.43 115.31 107.68 1pwp h LEU 454 Ca 0.17 -0.09 -0.52 0.00 0.84 0.00 0.00 57.88 58.28 1pwp h LEU 454 Cb 1.61 0.10 0.07 0.00 0.37 0.00 0.00 40.66 42.81 1pwp h LEU 454 CO 0.35 0.06 0.54 -0.69 -0.34 0.00 0.00 178.44 178.37 1pwp s VAL 455 N -3.46 2.90 -0.16 1.05 1.01 -1.26 -0.29 120.40 120.19 1pwp s VAL 455 Ca -0.10 0.76 -0.29 0.00 0.00 0.00 0.00 61.98 62.35 1pwp s VAL 455 Cb 0.01 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 1pwp s VAL 455 CO 0.32 0.07 1.33 -0.62 0.00 0.00 0.00 175.10 176.21 1pwp s ASP 456 N -1.01 6.87 0.37 3.32 -1.08 -0.72 -4.67 116.67 119.75 1pwp s ASP 456 Ca 0.58 1.73 0.27 0.00 -0.52 0.00 0.00 52.55 54.61 1pwp s ASP 456 Cb -0.34 -2.54 1.23 0.00 -1.46 0.00 0.00 42.92 39.82 1pwp s ASP 456 CO 0.42 -0.83 1.82 -1.28 0.52 0.00 0.00 175.17 175.83 1pwp h SER 457 N 8.56 0.00 0.00 -0.34 0.87 -1.92 -3.18 113.55 117.53 1pwp h SER 457 Ca -0.28 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.13 1pwp h SER 457 Cb 1.11 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.05 1pwp h SER 457 CO 0.97 0.00 -0.85 0.74 -0.53 0.00 0.00 176.83 177.17 1pwp h THR 458 N 0.00 0.96 -3.69 2.23 2.02 -1.97 -3.44 112.91 109.02 1pwp h THR 458 Ca 0.00 -2.03 -0.66 0.00 0.77 0.00 0.00 66.41 64.49 1pwp h THR 458 Cb 0.29 2.12 -0.40 0.00 -1.74 0.00 0.00 68.15 68.42 1pwp h THR 458 CO 0.00 0.33 -0.72 -0.62 0.37 0.00 0.00 175.52 174.88 1pwp s ASP 459 N -6.53 4.78 0.66 4.18 3.68 -1.20 -4.98 116.67 117.25 1pwp s ASP 459 Ca -0.24 -2.14 0.29 0.00 2.13 0.00 0.00 52.55 52.60 1pwp s ASP 459 Cb 0.03 -1.63 1.58 0.00 -1.45 0.00 0.00 42.92 41.44 1pwp s ASP 459 CO 0.54 -0.38 1.89 0.78 0.13 0.00 0.00 175.17 178.14 1pwp h ASN 460 N 7.63 0.00 0.57 -0.34 4.21 -1.85 -0.51 115.58 125.29 1pwp h ASN 460 Ca -0.05 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.46 1pwp h ASN 460 Cb 1.02 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.22 1pwp h ASN 460 CO 0.52 0.00 -0.12 0.35 -1.29 0.00 0.00 177.43 176.90 1pwp n THR 461 N -2.95 0.00 -4.16 2.81 -2.24 -1.26 -4.76 114.28 101.72 1pwp n THR 461 Ca -0.01 -0.03 -0.22 0.00 -2.27 0.00 0.00 64.05 61.52 1pwp n THR 461 Cb 0.42 -0.22 -0.05 0.00 -2.10 0.00 0.00 70.33 68.38 1pwp n THR 461 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1pwp s LYS 462 N -2.69 2.66 0.08 -0.78 1.02 -0.20 -0.57 119.74 119.26 1pwp s LYS 462 Ca 0.23 -1.22 0.08 0.00 0.02 0.00 0.00 55.97 55.07 1pwp s LYS 462 Cb 0.19 -2.39 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 1pwp s LYS 462 CO 0.52 0.36 -0.15 0.42 -0.92 0.00 0.00 175.35 175.57 1pwp s ILE 463 N -2.23 3.02 -0.52 2.17 1.01 -1.26 -1.75 121.20 121.64 1pwp s ILE 463 Ca 0.33 -1.30 -0.28 0.00 0.00 0.00 0.00 60.65 59.40 1pwp s ILE 463 Cb -0.07 -2.36 0.03 0.00 0.01 0.00 0.00 42.46 40.07 1pwp s ILE 463 CO 0.23 0.19 1.14 0.20 0.00 0.00 0.00 174.94 176.71 1pwp s ASN 464 N -1.91 6.54 0.56 3.58 0.01 0.61 -4.74 114.94 119.58 1pwp s ASN 464 Ca 0.18 0.27 0.35 0.00 -0.71 0.00 0.00 52.86 52.95 1pwp s ASN 464 Cb -0.11 -2.54 1.48 0.00 0.41 0.00 0.00 41.25 40.49 1pwp s ASN 464 CO 0.09 -1.34 1.76 0.03 -1.51 0.00 0.00 177.10 176.13 1pwp h ARG 465 N 9.36 0.00 0.25 -0.60 -0.00 -1.96 -0.52 114.38 120.91 1pwp h ARG 465 Ca -0.24 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.23 1pwp h ARG 465 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.03 1pwp h ARG 465 CO 1.15 0.00 -0.12 0.78 0.00 0.00 0.00 179.97 181.78 1pwp h GLY 466 N 0.00 -0.35 1.63 0.04 0.00 -1.95 -1.66 103.07 100.79 1pwp h GLY 466 Ca 0.51 0.13 0.05 0.00 0.00 0.00 0.00 47.33 48.01 1pwp h GLY 466 CO -0.01 -0.13 0.14 -2.22 0.00 0.00 0.00 176.54 174.33 1pwp h ILE 467 N -0.44 0.72 0.23 2.60 5.03 -1.69 -1.73 117.51 122.22 1pwp h ILE 467 Ca -0.03 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.69 1pwp h ILE 467 Cb 0.26 0.90 0.00 0.00 -3.03 0.00 0.00 36.82 34.95 1pwp h ILE 467 CO 0.06 0.00 -0.11 0.15 -0.68 0.00 0.00 178.15 177.56 1pwp h PHE 468 N 0.00 -0.29 -0.79 1.37 3.57 -1.05 -1.00 116.94 118.76 1pwp h PHE 468 Ca 0.08 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.65 1pwp h PHE 468 Cb 0.35 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.12 1pwp h PHE 468 CO 0.00 -0.12 0.45 -0.91 -2.23 0.00 0.00 178.31 175.50 1pwp h ASN 469 N -0.39 0.67 -0.03 0.41 2.35 -0.38 -1.21 115.58 117.00 1pwp h ASN 469 Ca -0.03 0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 1pwp h ASN 469 Cb 0.30 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1pwp h ASN 469 CO 0.05 0.41 -0.29 -0.08 -1.65 0.00 0.00 177.43 175.87 1pwp h GLU 470 N 0.80 0.48 -0.68 0.81 4.81 -1.30 -0.86 114.58 118.63 1pwp h GLU 470 Ca 0.36 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1pwp h GLU 470 Cb 0.27 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1pwp h GLU 470 CO -0.22 0.72 0.25 0.35 -0.73 0.00 0.00 179.01 179.38 1pwp h PHE 471 N 0.41 1.03 0.02 0.92 3.57 -0.04 -3.07 116.94 119.80 1pwp h PHE 471 Ca 0.06 -0.08 -0.21 0.00 3.53 0.00 0.00 57.97 61.27 1pwp h PHE 471 Cb 0.72 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1pwp h PHE 471 CO 0.02 0.80 -0.95 -0.22 -2.23 0.00 0.00 178.31 175.73 1pwp h LYS 472 N 0.99 0.13 -0.48 1.11 3.64 -1.06 -3.40 116.57 117.49 1pwp h LYS 472 Ca 0.23 -0.17 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1pwp h LYS 472 Cb 0.23 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 1pwp h LYS 472 CO -0.02 0.99 -0.28 1.17 -2.27 0.00 0.00 179.45 179.04 1pwp n LYS 473 N -3.56 -0.21 -0.59 1.90 4.81 -0.35 -2.12 118.16 118.04 1pwp n LYS 473 Ca -0.03 0.73 0.06 0.00 -0.87 0.00 0.00 58.31 58.20 1pwp n LYS 473 Cb 0.87 -1.08 0.19 0.00 0.02 0.00 0.00 35.03 35.03 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 -4.61 1.73 -4.47 3.14 4.13 -1.26 -4.94 115.26 108.98 1pwp n ASN 474 Ca 0.01 -3.70 -0.43 0.00 1.68 0.00 0.00 54.58 52.14 1pwp n ASN 474 Cb 0.13 -0.50 -0.02 0.00 -1.54 0.00 0.00 39.78 37.84 1pwp n ASN 474 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1pwp s PHE 475 N -3.00 3.02 -0.20 3.10 5.36 -0.90 -3.72 117.98 121.65 1pwp s PHE 475 Ca 0.37 -1.33 -0.11 0.00 -0.96 0.00 0.00 56.93 54.89 1pwp s PHE 475 Cb 0.36 -4.37 -0.08 0.00 -0.34 0.00 0.00 43.02 38.58 1pwp s PHE 475 CO -0.06 -1.58 -0.27 1.63 -1.46 0.00 0.00 175.22 173.48 1pwp n LYS 476 N 6.97 0.44 -4.19 10.12 4.01 -1.26 -4.80 118.16 129.45 1pwp n LYS 476 Ca 0.27 0.19 -0.16 0.00 -0.51 0.00 0.00 58.31 58.10 1pwp n LYS 476 Cb 0.49 -1.24 -0.11 0.00 -0.51 0.00 0.00 35.03 33.66 1pwp n LYS 476 CO 0.00 0.00 0.00 1.52 -1.11 0.00 0.00 177.40 177.81 1pwp s TYR 477 N -2.44 1.17 0.12 2.13 -0.85 -1.26 0.10 117.35 116.33 1pwp s TYR 477 Ca -0.28 -0.60 0.05 0.00 -0.52 0.00 0.00 57.07 55.71 1pwp s TYR 477 Cb 0.10 -0.63 -0.04 0.00 0.38 0.00 0.00 41.96 41.77 1pwp s TYR 477 CO 0.36 0.05 -0.12 0.45 -1.52 0.00 0.00 175.55 174.78 1pwp s SER 478 N -2.37 1.76 0.04 -0.18 0.15 0.26 -2.04 113.70 111.32 1pwp s SER 478 Ca 0.06 -0.88 0.05 0.00 0.70 0.00 0.00 55.95 55.88 1pwp s SER 478 Cb -0.04 -0.03 -0.02 0.00 -1.71 0.00 0.00 66.02 64.22 1pwp s SER 478 CO 0.01 -0.24 -0.14 -0.63 1.20 0.00 0.00 173.24 173.44 1pwp s ILE 479 N -2.61 1.12 -0.24 6.45 1.01 -0.58 -0.57 121.20 125.77 1pwp s ILE 479 Ca 0.10 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 59.73 1pwp s ILE 479 Cb -0.02 -1.02 0.06 0.00 0.01 0.00 0.00 42.46 41.48 1pwp s ILE 479 CO 0.01 -0.03 -0.09 -0.55 0.00 0.00 0.00 174.94 174.28 1pwp s SER 480 N -1.23 4.13 0.07 3.58 0.15 -0.53 -1.65 113.70 118.23 1pwp s SER 480 Ca 0.01 -1.26 0.23 0.00 0.70 0.00 0.00 55.95 55.63 1pwp s SER 480 Cb -0.08 -1.41 0.05 0.00 -1.71 0.00 0.00 66.02 62.88 1pwp s SER 480 CO 0.01 -0.19 1.03 -1.20 1.20 0.00 0.00 173.24 174.09 1pwp n SER 481 N 4.53 0.62 -1.55 5.45 7.64 -1.25 -1.49 113.62 127.57 1pwp n SER 481 Ca -0.14 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.66 1pwp n SER 481 Cb 0.43 0.75 0.00 0.00 -1.01 0.00 0.00 64.21 64.38 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 -2.10 1.44 -4.42 6.43 6.94 -1.26 -4.23 115.26 118.06 1pwp n ASN 482 Ca 0.01 -0.78 -0.44 0.00 -0.02 0.00 0.00 54.58 53.36 1pwp n ASN 482 Cb 0.46 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.84 1pwp n ASN 482 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1pwp s TYR 483 N -0.06 2.85 0.36 -2.53 4.12 -1.26 -4.16 117.35 116.68 1pwp s TYR 483 Ca 0.00 -0.72 -0.28 0.00 0.02 0.00 0.00 57.07 56.09 1pwp s TYR 483 Cb 0.00 -4.11 -0.11 0.00 -1.52 0.00 0.00 41.96 36.22 1pwp s TYR 483 CO 0.00 -1.44 1.46 -1.64 0.02 0.00 0.00 175.55 173.95 1pwp s MET 484 N 3.34 4.16 -0.32 -0.62 -1.94 -1.26 -4.78 119.30 117.88 1pwp s MET 484 Ca 0.17 2.50 0.03 0.00 -1.71 0.00 0.00 55.69 56.68 1pwp s MET 484 Cb -0.20 -2.99 0.08 0.00 2.01 0.00 0.00 34.83 33.73 1pwp s MET 484 CO 0.09 -0.47 0.01 0.42 -0.01 0.00 0.00 175.02 175.06 1pwp s ILE 485 N -1.05 2.41 0.41 2.53 1.01 -1.26 -1.56 121.20 123.68 1pwp s ILE 485 Ca 0.53 -2.03 0.08 0.00 0.00 0.00 0.00 60.65 59.22 1pwp s ILE 485 Cb -0.45 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 1pwp s ILE 485 CO 0.60 -0.40 0.33 0.68 0.00 0.00 0.00 174.94 176.16 1pwp s VAL 486 N 1.01 2.65 0.05 2.92 -7.23 -0.80 -4.91 120.40 114.10 1pwp s VAL 486 Ca 0.03 -1.42 0.02 0.00 -1.81 0.00 0.00 61.98 58.80 1pwp s VAL 486 Cb -0.20 -3.01 -0.04 0.00 0.56 0.00 0.00 36.38 33.69 1pwp s VAL 486 CO -0.06 -0.01 0.09 -1.81 -0.31 0.00 0.00 175.10 172.99 1pwp s ASP 487 N -4.08 5.62 0.07 4.85 1.01 0.16 -1.57 116.67 122.73 1pwp s ASP 487 Ca 0.46 0.06 -0.15 0.00 0.71 0.00 0.00 52.55 53.63 1pwp s ASP 487 Cb -0.02 -1.56 -0.17 0.00 1.01 0.00 0.00 42.92 42.18 1pwp s ASP 487 CO 0.27 0.21 1.27 0.40 0.21 0.00 0.00 175.17 177.53 1pwp h ILE 488 N 2.78 1.32 -4.48 0.77 2.04 -1.79 -0.08 117.51 118.09 1pwp h ILE 488 Ca -0.47 -1.87 -0.63 0.00 1.00 0.00 0.00 64.86 62.88 1pwp h ILE 488 Cb 1.17 2.07 -0.30 0.00 -0.74 0.00 0.00 36.82 39.03 1pwp h ILE 488 CO 0.65 0.58 -0.87 0.20 0.00 0.00 0.00 178.15 178.71 1pwp s ASN 489 N -6.86 2.62 0.24 1.72 0.01 -1.26 -4.72 114.94 106.69 1pwp s ASN 489 Ca -0.12 -0.41 -0.31 0.00 -0.71 0.00 0.00 52.86 51.31 1pwp s ASN 489 Cb 0.07 -0.29 -0.12 0.00 0.41 0.00 0.00 41.25 41.32 1pwp s ASN 489 CO 0.86 0.27 1.60 1.21 -1.51 0.00 0.00 177.10 179.53 1pwp n GLU 490 N 2.51 2.54 -4.38 -0.60 2.13 -1.26 -4.91 120.64 116.66 1pwp n GLU 490 Ca -0.15 0.91 -0.24 0.00 0.66 0.00 0.00 57.16 58.34 1pwp n GLU 490 Cb 0.52 -2.69 -0.11 0.00 0.27 0.00 0.00 31.44 29.43 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 0.16 1.40 0.55 5.31 0.52 -1.26 -5.10 118.95 120.53 1pwp s ARG 491 Ca 0.70 -1.49 -0.21 0.00 -0.52 0.00 0.00 55.73 54.20 1pwp s ARG 491 Cb -0.55 -1.55 -0.05 0.00 0.52 0.00 0.00 34.95 33.32 1pwp s ARG 491 CO 0.43 0.32 1.26 -0.35 0.02 0.00 0.00 175.30 176.98 1pwp n PRO 492 N 0.17 1.50 -3.31 3.54 -0.04 -1.26 -4.96 135.00 130.64 1pwp n PRO 492 Ca -0.12 0.56 -0.19 0.00 -0.04 0.00 0.00 63.50 63.71 1pwp n PRO 492 Cb 0.57 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 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 -1.33 4.24 0.28 0.55 0.00 -1.26 -5.09 121.76 119.16 1pwp s ALA 493 Ca 0.72 -1.46 -0.13 0.00 0.00 0.00 0.00 51.96 51.09 1pwp s ALA 493 Cb -0.43 -1.72 -0.08 0.00 0.00 0.00 0.00 23.12 20.89 1pwp s ALA 493 CO 0.49 -0.14 0.66 -0.51 0.00 0.00 0.00 175.76 176.27 1pwp s LEU 494 N -4.26 4.12 0.27 0.00 1.43 -1.26 -4.96 118.68 114.02 1pwp s LEU 494 Ca 0.48 1.16 0.04 0.00 -1.03 0.00 0.00 54.13 54.78 1pwp s LEU 494 Cb -0.10 -3.89 0.73 0.00 0.03 0.00 0.00 46.19 42.96 1pwp s LEU 494 CO 0.32 -0.14 1.33 0.47 0.23 0.00 0.00 176.35 178.57 1pwp n ASP 495 N -0.18 -0.04 -0.11 2.29 9.92 -1.26 0.75 116.55 127.93 1pwp n ASP 495 Ca 0.02 1.43 0.13 0.00 -0.53 0.00 0.00 54.79 55.85 1pwp n ASP 495 Cb 0.53 -0.55 0.73 0.00 -0.64 0.00 0.00 41.12 41.19 1pwp n ASP 495 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1pwp n ASN 496 N -5.17 0.33 -4.30 -2.24 2.04 -1.26 -4.61 115.26 100.06 1pwp n ASN 496 Ca 0.22 -1.24 -0.45 0.00 -0.44 0.00 0.00 54.58 52.66 1pwp n ASN 496 Cb 0.72 -0.01 -0.05 0.00 -2.53 0.00 0.00 39.78 37.91 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 -1.98 2.92 0.00 -3.83 2.02 0.23 -4.22 118.70 113.84 1pwp s GLU 497 Ca 0.40 -1.73 0.10 0.00 0.02 0.00 0.00 54.97 53.76 1pwp s GLU 497 Cb 0.19 -4.24 0.08 0.00 0.10 0.00 0.00 34.13 30.26 1pwp s GLU 497 CO 0.31 -1.31 0.83 0.54 0.02 0.00 0.00 175.26 175.65 1pwp n ARG 498 N 5.18 0.45 -3.70 1.61 5.12 -1.13 -4.58 116.66 119.61 1pwp n ARG 498 Ca -0.13 -1.12 -0.36 0.00 -1.93 0.00 0.00 57.85 54.32 1pwp n ARG 498 Cb 0.40 -1.19 -0.07 0.00 -1.16 0.00 0.00 32.46 30.44 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 -0.83 4.27 -0.36 0.55 1.02 -0.93 -0.68 118.68 121.71 1pwp s LEU 499 Ca 0.12 0.38 0.02 0.00 0.02 0.00 0.00 54.13 54.67 1pwp s LEU 499 Cb 0.08 -2.18 0.11 0.00 0.02 0.00 0.00 46.19 44.22 1pwp s LEU 499 CO 0.13 0.22 0.12 -0.54 0.02 0.00 0.00 176.35 176.29 1pwp s LYS 500 N 0.02 1.21 0.29 1.70 1.02 0.11 -0.88 119.74 123.22 1pwp s LYS 500 Ca 0.12 -1.68 -0.25 0.00 0.02 0.00 0.00 55.97 54.19 1pwp s LYS 500 Cb -0.12 -2.62 -0.09 0.00 -0.52 0.00 0.00 37.83 34.48 1pwp s LYS 500 CO 0.01 -1.01 0.89 -1.58 -0.92 0.00 0.00 175.35 172.75 1pwp s TRP 501 N 0.95 3.72 -0.28 3.18 0.52 0.76 -0.91 118.94 126.88 1pwp s TRP 501 Ca 0.12 1.71 -0.01 0.00 0.02 0.00 0.00 56.10 57.94 1pwp s TRP 501 Cb -0.20 -2.86 0.09 0.00 -1.15 0.00 0.00 33.47 29.35 1pwp s TRP 501 CO -0.12 0.27 0.07 0.50 0.02 0.00 0.00 176.95 177.68 1pwp s ARG 502 N -1.93 0.82 -0.12 4.98 3.52 -0.27 -2.20 118.95 123.75 1pwp s ARG 502 Ca 0.47 -0.96 -0.10 0.00 -0.13 0.00 0.00 55.73 55.01 1pwp s ARG 502 Cb -0.19 -2.11 -0.05 0.00 -1.56 0.00 0.00 34.95 31.04 1pwp s ARG 502 CO 0.24 -0.87 0.22 0.42 -0.81 0.00 0.00 175.30 174.49 1pwp s ILE 503 N 1.62 5.36 -0.50 4.11 -1.09 0.11 -2.40 121.20 128.42 1pwp s ILE 503 Ca 0.06 0.39 -0.15 0.00 -2.23 0.00 0.00 60.65 58.72 1pwp s ILE 503 Cb -0.17 -3.51 0.10 0.00 -1.58 0.00 0.00 42.46 37.29 1pwp s ILE 503 CO -0.19 0.54 0.43 -1.58 -1.23 0.00 0.00 174.94 172.91 1pwp s GLN 504 N -0.55 2.94 0.94 2.79 0.74 -0.16 -0.03 119.66 126.33 1pwp s GLN 504 Ca 0.16 -1.53 -0.12 0.00 0.05 0.00 0.00 55.36 53.92 1pwp s GLN 504 Cb -0.13 -4.18 0.16 0.00 1.10 0.00 0.00 33.01 29.96 1pwp s GLN 504 CO 0.05 -1.16 1.09 -0.51 -0.55 0.00 0.00 175.29 174.20 1pwp s LEU 505 N 1.60 2.05 0.07 3.68 1.43 -0.77 -0.75 118.68 125.99 1pwp s LEU 505 Ca 0.04 1.50 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 1pwp s LEU 505 Cb -0.27 -3.83 -0.04 0.00 0.03 0.00 0.00 46.19 42.08 1pwp s LEU 505 CO 0.04 -2.92 0.21 -0.55 0.23 0.00 0.00 176.35 173.37 1pwp s SER 506 N -3.27 6.31 0.37 2.29 0.15 -1.26 -4.76 113.70 113.54 1pwp s SER 506 Ca 0.64 0.25 0.28 0.00 0.70 0.00 0.00 55.95 57.81 1pwp s SER 506 Cb -0.19 -1.93 1.22 0.00 -1.71 0.00 0.00 66.02 63.41 1pwp s SER 506 CO 0.58 0.16 1.83 1.55 1.20 0.00 0.00 173.24 178.56 1pwp h PRO 507 N 3.01 0.00 0.00 5.44 0.13 -1.96 -2.08 132.00 136.55 1pwp h PRO 507 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1pwp h PRO 507 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1pwp h PRO 507 CO 0.75 0.00 -0.42 -0.44 -0.23 0.00 0.00 178.00 177.66 1pwp h ASP 508 N 0.00 0.00 -2.65 1.44 3.45 -1.96 -1.60 116.42 115.11 1pwp h ASP 508 Ca 0.00 -0.02 -0.52 0.00 0.43 0.00 0.00 57.03 56.92 1pwp h ASP 508 Cb 0.32 0.00 0.05 0.00 -0.56 0.00 0.00 39.33 39.15 1pwp h ASP 508 CO 0.00 0.01 1.03 -0.89 -1.57 0.00 0.00 179.24 177.82 1pwp s THR 509 N -3.25 2.15 0.12 0.35 2.01 -0.78 -4.72 115.64 111.52 1pwp s THR 509 Ca 0.05 0.04 -0.13 0.00 0.31 0.00 0.00 61.69 61.96 1pwp s THR 509 Cb 0.08 -3.03 -0.07 0.00 0.01 0.00 0.00 72.50 69.50 1pwp s THR 509 CO 0.71 0.00 0.50 -0.13 -0.69 0.00 0.00 174.62 175.02 1pwp s ARG 510 N 1.47 3.91 0.29 4.92 0.52 -1.26 -0.83 118.95 127.97 1pwp s ARG 510 Ca 0.76 0.39 -0.17 0.00 -0.52 0.00 0.00 55.73 56.18 1pwp s ARG 510 Cb -0.49 -2.96 0.02 0.00 0.52 0.00 0.00 34.95 32.04 1pwp s ARG 510 CO 0.33 0.51 0.66 0.00 0.02 0.00 0.00 175.30 176.81 1pwp s ALA 511 N -1.44 -0.82 -0.03 2.13 0.00 -0.79 -1.88 121.76 118.92 1pwp s ALA 511 Ca 0.36 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.79 1pwp s ALA 511 Cb -0.15 0.90 0.00 0.00 0.00 0.00 0.00 23.12 23.87 1pwp s ALA 511 CO 0.19 -0.98 -0.12 0.20 0.00 0.00 0.00 175.76 175.05 1pwp s GLY 512 N -2.98 0.69 0.17 0.00 0.00 0.26 -4.36 107.32 101.11 1pwp s GLY 512 Ca 0.15 -0.47 -0.28 0.00 0.00 0.00 0.00 44.72 44.13 1pwp s GLY 512 CO 0.09 -0.18 0.86 -0.47 0.00 0.00 0.00 173.10 173.40 1pwp s TYR 513 N 0.15 3.91 -0.04 1.90 5.04 -1.26 -0.32 117.35 126.74 1pwp s TYR 513 Ca -0.04 1.74 0.06 0.00 -2.44 0.00 0.00 57.07 56.40 1pwp s TYR 513 Cb -0.10 -2.89 -0.02 0.00 0.35 0.00 0.00 41.96 39.30 1pwp s TYR 513 CO 0.01 0.43 -0.22 -0.51 -1.34 0.00 0.00 175.55 173.92 1pwp s LEU 514 N -0.90 2.28 0.42 6.97 1.43 -0.19 -4.93 118.68 123.76 1pwp s LEU 514 Ca 0.39 -0.39 0.12 0.00 -1.03 0.00 0.00 54.13 53.22 1pwp s LEU 514 Cb -0.24 -1.42 0.96 0.00 0.03 0.00 0.00 46.19 45.52 1pwp s LEU 514 CO 0.28 0.32 1.98 -0.08 0.23 0.00 0.00 176.35 179.08 1pwp h GLU 515 N 5.54 0.48 -0.69 1.70 4.57 -1.98 -2.69 114.58 121.51 1pwp h GLU 515 Ca -0.42 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1pwp h GLU 515 Cb 1.14 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 1pwp h GLU 515 CO 0.48 0.32 0.00 0.27 -1.18 0.00 0.00 179.01 178.90 1pwp n ASN 516 N -4.48 0.73 -0.30 1.04 2.04 -1.26 -4.74 115.26 108.30 1pwp n ASN 516 Ca 0.09 -1.28 -0.01 0.00 -0.44 0.00 0.00 54.58 52.95 1pwp n ASN 516 Cb 0.32 -0.32 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 1pwp n ASN 516 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1pwp n GLY 517 N 0.21 0.56 3.40 4.83 0.00 -1.03 -5.03 105.19 108.14 1pwp n GLY 517 Ca 0.00 -0.77 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 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 -4.44 1.48 0.00 1.61 1.02 -1.16 -2.38 119.74 115.88 1pwp s LYS 518 Ca 0.01 -1.74 0.04 0.00 0.02 0.00 0.00 55.97 54.30 1pwp s LYS 518 Cb -0.00 -1.05 -0.01 0.00 -0.52 0.00 0.00 37.83 36.24 1pwp s LYS 518 CO 0.01 0.03 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.83 1pwp s LEU 519 N -3.40 2.07 -0.28 3.17 1.43 -0.61 -1.02 118.68 120.04 1pwp s LEU 519 Ca 0.28 -0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 53.04 1pwp s LEU 519 Cb 0.04 -0.65 0.02 0.00 0.03 0.00 0.00 46.19 45.62 1pwp s LEU 519 CO 0.11 0.12 0.03 -0.51 0.23 0.00 0.00 176.35 176.33 1pwp s ILE 520 N -0.46 3.56 0.57 -0.59 2.07 0.57 -1.90 121.20 125.03 1pwp s ILE 520 Ca 0.04 -0.82 -0.07 0.00 -1.41 0.00 0.00 60.65 58.39 1pwp s ILE 520 Cb -0.06 -2.83 -0.01 0.00 0.13 0.00 0.00 42.46 39.69 1pwp s ILE 520 CO -0.00 0.12 0.91 -0.76 -1.91 0.00 0.00 174.94 173.30 1pwp s LEU 521 N 1.43 3.31 0.57 8.50 1.43 -0.60 -0.57 118.68 132.75 1pwp s LEU 521 Ca 0.02 0.92 -0.19 0.00 -1.03 0.00 0.00 54.13 53.85 1pwp s LEU 521 Cb -0.17 -3.81 -0.04 0.00 0.03 0.00 0.00 46.19 42.20 1pwp s LEU 521 CO -0.00 -0.93 1.13 0.00 0.23 0.00 0.00 176.35 176.79 1pwp s GLN 522 N -4.98 3.21 0.62 1.70 -2.07 -0.79 -4.05 119.66 113.30 1pwp s GLN 522 Ca 0.53 1.60 -0.10 0.00 -1.82 0.00 0.00 55.36 55.56 1pwp s GLN 522 Cb -0.11 -1.99 0.15 0.00 -1.09 0.00 0.00 33.01 29.98 1pwp s GLN 522 CO 0.47 -0.96 0.64 2.89 -1.32 0.00 0.00 175.29 177.01 1pwp n ARG 523 N -1.54 -1.62 -3.83 9.60 1.85 -1.26 -4.48 116.66 115.38 1pwp n ARG 523 Ca 0.12 -1.01 -0.38 0.00 -1.00 0.00 0.00 57.85 55.58 1pwp n ARG 523 Cb 0.51 -0.84 0.04 0.00 -1.05 0.00 0.00 32.46 31.12 1pwp n ARG 523 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1pwp n ASN 524 N -3.81 -4.91 -4.48 2.89 5.03 -0.55 -5.00 115.26 104.43 1pwp n ASN 524 Ca 0.09 -1.13 -0.31 0.00 0.87 0.00 0.00 54.58 54.10 1pwp n ASN 524 Cb 0.32 -2.73 -0.12 0.00 -1.02 0.00 0.00 39.78 36.22 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 -3.48 2.92 -0.02 2.41 1.01 -1.00 -4.56 121.20 118.48 1pwp s ILE 525 Ca 0.49 -1.18 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1pwp s ILE 525 Cb -0.21 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 1pwp s ILE 525 CO 0.90 0.30 -0.01 -0.83 0.00 0.00 0.00 174.94 175.31 1pwp s GLY 526 N -1.56 1.85 -0.15 6.18 0.00 -0.90 -1.45 107.32 111.28 1pwp s GLY 526 Ca 0.16 -0.93 -0.00 0.00 0.00 0.00 0.00 44.72 43.94 1pwp s GLY 526 CO 0.07 -0.78 -0.07 1.08 0.00 0.00 0.00 173.10 173.39 1pwp s LEU 527 N -1.40 1.59 -0.25 0.66 1.43 0.26 -0.40 118.68 120.57 1pwp s LEU 527 Ca 0.18 -0.58 -0.18 0.00 -1.03 0.00 0.00 54.13 52.52 1pwp s LEU 527 Cb -0.11 -0.96 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 1pwp s LEU 527 CO 0.08 -0.15 0.50 -0.70 0.23 0.00 0.00 176.35 176.31 1pwp s GLU 528 N 1.61 4.08 -0.11 1.70 2.12 -0.77 0.90 118.70 128.24 1pwp s GLU 528 Ca 0.02 0.30 -0.30 0.00 0.36 0.00 0.00 54.97 55.36 1pwp s GLU 528 Cb -0.14 -3.64 -0.02 0.00 0.26 0.00 0.00 34.13 30.59 1pwp s GLU 528 CO -0.08 -0.30 1.18 0.42 -0.54 0.00 0.00 175.26 175.93 1pwp s ILE 529 N 2.15 4.37 -0.17 -3.70 1.09 0.29 -1.78 121.20 123.45 1pwp s ILE 529 Ca 0.21 1.67 0.17 0.00 -1.10 0.00 0.00 60.65 61.60 1pwp s ILE 529 Cb -0.16 -4.08 -0.25 0.00 -1.06 0.00 0.00 42.46 36.92 1pwp s ILE 529 CO 0.09 -0.05 0.18 0.29 -0.10 0.00 0.00 174.94 175.35 1pwp n LYS 530 N 5.65 0.68 -3.57 2.79 4.76 0.21 -4.88 118.16 123.81 1pwp n LYS 530 Ca 0.12 0.05 -0.15 0.00 -2.87 0.00 0.00 58.31 55.46 1pwp n LYS 530 Cb 0.46 -1.57 -0.06 0.00 -1.84 0.00 0.00 35.03 32.02 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 -5.60 -0.60 -0.24 4.39 3.68 -1.08 -4.98 116.67 112.24 1pwp s ASP 531 Ca -0.09 0.83 -0.03 0.00 2.13 0.00 0.00 52.55 55.39 1pwp s ASP 531 Cb 0.06 0.73 0.08 0.00 -1.45 0.00 0.00 42.92 42.35 1pwp s ASP 531 CO 0.83 -0.43 0.09 -0.69 0.13 0.00 0.00 175.17 175.10 1pwp s VAL 532 N -0.69 0.27 0.11 1.11 1.01 -1.26 -1.23 120.40 119.73 1pwp s VAL 532 Ca -0.05 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.26 1pwp s VAL 532 Cb -0.02 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 1pwp s VAL 532 CO 0.05 -0.48 -0.08 0.00 0.00 0.00 0.00 175.10 174.59 1pwp s GLN 533 N 1.95 0.90 -0.04 2.72 -2.07 -1.01 -4.99 119.66 117.12 1pwp s GLN 533 Ca 0.05 -1.36 -0.23 0.00 -1.82 0.00 0.00 55.36 52.01 1pwp s GLN 533 Cb -0.17 -0.35 -0.04 0.00 -1.09 0.00 0.00 33.01 31.36 1pwp s GLN 533 CO -0.21 0.02 0.67 0.42 -1.32 0.00 0.00 175.29 174.87 1pwp s ILE 534 N -3.45 4.99 0.29 3.63 1.01 -1.26 -0.60 121.20 125.80 1pwp s ILE 534 Ca 0.13 1.39 0.02 0.00 0.00 0.00 0.00 60.65 62.19 1pwp s ILE 534 Cb 0.04 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 1pwp s ILE 534 CO -0.03 0.31 0.12 0.27 0.00 0.00 0.00 174.94 175.61 1pwp s ILE 535 N 0.46 0.51 -0.04 2.92 -4.36 -0.23 -4.36 121.20 116.10 1pwp s ILE 535 Ca 0.35 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.81 1pwp s ILE 535 Cb -0.18 -2.59 -0.02 0.00 1.25 0.00 0.00 42.46 40.93 1pwp s ILE 535 CO 0.18 0.00 -0.24 -0.75 0.24 0.00 0.00 174.94 174.37 1pwp s LYS 536 N -3.93 2.40 -0.19 0.37 2.20 -1.26 -1.56 119.74 117.77 1pwp s LYS 536 Ca 0.36 -0.90 -0.07 0.00 -0.36 0.00 0.00 55.97 55.01 1pwp s LYS 536 Cb 0.07 -2.14 0.09 0.00 -1.51 0.00 0.00 37.83 34.33 1pwp s LYS 536 CO 0.15 0.46 0.41 -1.14 -0.36 0.00 0.00 175.35 174.87 1pwp s GLN 537 N -0.36 0.32 -1.55 4.03 0.74 -0.51 -4.77 119.66 117.55 1pwp s GLN 537 Ca 0.02 1.00 -0.04 0.00 0.05 0.00 0.00 55.36 56.39 1pwp s GLN 537 Cb -0.12 0.28 0.01 0.00 1.10 0.00 0.00 33.01 34.28 1pwp s GLN 537 CO 0.02 -0.25 0.40 0.43 -0.55 0.00 0.00 175.29 175.34 1pwp n SER 538 N 5.29 -5.67 0.00 6.67 7.64 -1.26 -1.93 113.62 124.36 1pwp n SER 538 Ca -0.10 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.59 1pwp n SER 538 Cb 0.50 -4.64 0.00 0.00 -1.01 0.00 0.00 64.21 59.06 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 -3.67 -0.77 -4.59 1.43 -0.58 -1.26 -5.01 120.64 106.19 1pwp n GLU 539 Ca -0.14 0.19 -0.30 0.00 -0.42 0.00 0.00 57.16 56.49 1pwp n GLU 539 Cb 0.63 -3.78 -0.13 0.00 -0.57 0.00 0.00 31.44 27.59 1pwp n GLU 539 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1pwp s LYS 540 N -0.78 1.87 0.42 3.49 2.20 -0.81 -4.93 119.74 121.19 1pwp s LYS 540 Ca 0.00 -1.10 -0.14 0.00 -0.36 0.00 0.00 55.97 54.37 1pwp s LYS 540 Cb 0.00 -2.10 -0.08 0.00 -1.51 0.00 0.00 37.83 34.15 1pwp s LYS 540 CO 0.00 0.51 0.83 -1.21 -0.36 0.00 0.00 175.35 175.12 1pwp s GLU 541 N -1.64 3.90 0.15 4.03 2.02 0.27 -1.43 118.70 125.99 1pwp s GLU 541 Ca 0.15 0.68 -0.15 0.00 0.02 0.00 0.00 54.97 55.67 1pwp s GLU 541 Cb -0.10 -2.32 0.03 0.00 0.10 0.00 0.00 34.13 31.84 1pwp s GLU 541 CO 0.06 -0.06 0.42 0.71 0.02 0.00 0.00 175.26 176.41 1pwp s TYR 542 N -2.35 -0.10 -0.30 1.61 1.51 -0.60 -4.92 117.35 112.20 1pwp s TYR 542 Ca 0.55 -0.24 -0.12 0.00 -1.01 0.00 0.00 57.07 56.25 1pwp s TYR 542 Cb -0.10 0.25 -0.04 0.00 -0.11 0.00 0.00 41.96 41.96 1pwp s TYR 542 CO 0.27 -0.76 0.21 0.42 -1.11 0.00 0.00 175.55 174.58 1pwp s ILE 543 N -3.85 5.28 -0.12 2.71 1.01 0.14 -1.07 121.20 125.31 1pwp s ILE 543 Ca 0.06 0.01 -0.22 0.00 0.00 0.00 0.00 60.65 60.50 1pwp s ILE 543 Cb 0.01 -3.59 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 1pwp s ILE 543 CO -0.08 0.15 0.67 -0.60 0.00 0.00 0.00 174.94 175.08 1pwp s ARG 544 N 1.74 4.35 -0.23 2.79 6.06 0.23 0.07 118.95 133.95 1pwp s ARG 544 Ca 0.07 0.78 0.00 0.00 -2.50 0.00 0.00 55.73 54.07 1pwp s ARG 544 Cb -0.17 -3.50 0.03 0.00 0.06 0.00 0.00 34.95 31.38 1pwp s ARG 544 CO 0.11 -0.06 -0.12 0.42 -2.50 0.00 0.00 175.30 173.15 1pwp s ILE 545 N 1.26 2.47 -0.36 4.11 1.01 -0.09 -2.41 121.20 127.19 1pwp s ILE 545 Ca 0.34 -1.13 -0.15 0.00 0.00 0.00 0.00 60.65 59.71 1pwp s ILE 545 Cb -0.17 -2.23 -0.00 0.00 0.01 0.00 0.00 42.46 40.07 1pwp s ILE 545 CO 0.14 0.26 0.35 -1.81 0.00 0.00 0.00 174.94 173.87 1pwp s ASP 546 N 1.26 6.15 0.04 3.58 1.01 -0.36 -1.11 116.67 127.24 1pwp s ASP 546 Ca -0.00 -0.42 0.08 0.00 0.71 0.00 0.00 52.55 52.91 1pwp s ASP 546 Cb -0.16 -2.19 -0.03 0.00 1.01 0.00 0.00 42.92 41.56 1pwp s ASP 546 CO -0.07 -0.37 -0.22 0.00 0.21 0.00 0.00 175.17 174.71 1pwp s ALA 547 N 1.95 1.89 -0.13 5.23 0.00 -1.01 0.66 121.76 130.34 1pwp s ALA 547 Ca 0.10 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 1pwp s ALA 547 Cb -0.17 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 1pwp s ALA 547 CO 0.12 0.43 -0.08 0.21 0.00 0.00 0.00 175.76 176.44 1pwp s LYS 548 N -1.12 3.42 0.29 0.00 2.20 -0.73 -0.99 119.74 122.80 1pwp s LYS 548 Ca 0.09 -0.59 -0.29 0.00 -0.36 0.00 0.00 55.97 54.81 1pwp s LYS 548 Cb -0.09 -2.75 -0.10 0.00 -1.51 0.00 0.00 37.83 33.38 1pwp s LYS 548 CO 0.02 0.29 1.21 0.08 -0.36 0.00 0.00 175.35 176.59 1pwp s VAL 549 N 0.19 3.14 0.25 4.02 1.01 0.07 -1.84 120.40 127.24 1pwp s VAL 549 Ca -0.05 1.11 -0.02 0.00 0.00 0.00 0.00 61.98 63.03 1pwp s VAL 549 Cb -0.14 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1pwp s VAL 549 CO 0.04 0.25 0.26 0.68 0.00 0.00 0.00 175.10 176.33 1pwp s VAL 550 N -0.96 0.00 0.08 2.92 -7.23 0.47 -4.68 120.40 111.00 1pwp s VAL 550 Ca 0.48 -1.84 -0.31 0.00 -1.81 0.00 0.00 61.98 58.50 1pwp s VAL 550 Cb -0.36 -2.46 -0.07 0.00 0.56 0.00 0.00 36.38 34.05 1pwp s VAL 550 CO 0.45 0.00 1.35 -2.16 -0.31 0.00 0.00 175.10 174.44 1pwp s PRO 551 N -3.88 4.34 0.27 4.82 0.04 -1.26 -2.12 135.00 137.20 1pwp s PRO 551 Ca 0.35 1.99 -0.01 0.00 0.04 0.00 0.00 61.00 63.38 1pwp s PRO 551 Cb 0.04 -3.32 0.57 0.00 0.04 0.00 0.00 34.50 31.82 1pwp s PRO 551 CO 0.15 -0.42 1.72 -0.22 0.04 0.00 0.00 177.00 178.27 1pwp h LYS 552 N 6.98 0.45 -1.08 4.56 3.64 -1.85 -0.20 116.57 129.06 1pwp h LYS 552 Ca -0.41 -0.03 0.29 0.00 -1.27 0.00 0.00 60.65 59.23 1pwp h LYS 552 Cb 1.21 -0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.83 1pwp h LYS 552 CO 0.86 0.30 0.70 0.66 -2.27 0.00 0.00 179.45 179.70 1pwp h SER 553 N 0.46 0.38 -0.13 4.20 4.64 -1.93 0.54 113.55 121.71 1pwp h SER 553 Ca 0.48 0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.84 1pwp h SER 553 Cb 0.79 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 1pwp h SER 553 CO -0.45 0.05 0.00 0.11 -0.87 0.00 0.00 176.83 175.68 1pwp h LYS 554 N 0.32 0.34 0.22 4.77 1.57 -1.41 -2.66 116.57 119.73 1pwp h LYS 554 Ca 0.61 -0.06 -0.33 0.00 -1.87 0.00 0.00 60.65 59.01 1pwp h LYS 554 Cb 1.68 -0.06 0.03 0.00 0.08 0.00 0.00 32.23 33.96 1pwp h LYS 554 CO -0.28 0.37 -1.53 0.82 -0.57 0.00 0.00 179.45 178.26 1pwp h ILE 555 N 0.33 1.17 -0.98 1.86 2.04 -0.05 -3.28 117.51 118.61 1pwp h ILE 555 Ca 0.08 -2.61 0.05 0.00 1.00 0.00 0.00 64.86 63.38 1pwp h ILE 555 Cb 0.23 2.95 -0.06 0.00 -0.74 0.00 0.00 36.82 39.19 1pwp h ILE 555 CO 0.00 0.82 0.63 0.44 0.00 0.00 0.00 178.15 180.04 1pwp h ASP 556 N 0.08 1.03 1.25 1.72 3.45 -1.09 -1.64 116.42 121.22 1pwp h ASP 556 Ca -0.28 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.17 1pwp h ASP 556 Cb 2.09 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 40.64 1pwp h ASP 556 CO 0.23 0.68 -0.02 0.71 -1.57 0.00 0.00 179.24 179.27 1pwp h THR 557 N 1.18 0.04 -0.26 0.35 1.35 -1.59 0.11 112.91 114.10 1pwp h THR 557 Ca 0.41 -0.68 -0.07 0.00 -0.55 0.00 0.00 66.41 65.51 1pwp h THR 557 Cb 0.09 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 1pwp h THR 557 CO -0.15 0.02 -0.13 0.11 -0.25 0.00 0.00 175.52 175.12 1pwp h LYS 558 N 0.00 0.54 0.16 4.72 1.79 -1.37 -0.92 116.57 121.49 1pwp h LYS 558 Ca -0.00 -0.24 -0.01 0.00 -2.18 0.00 0.00 60.65 58.22 1pwp h LYS 558 Cb 0.65 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1pwp h LYS 558 CO 0.00 0.80 -0.08 0.82 -1.08 0.00 0.00 179.45 179.92 1pwp h ILE 559 N 0.27 0.92 -0.25 1.86 2.04 -0.96 0.36 117.51 121.74 1pwp h ILE 559 Ca 0.06 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.65 1pwp h ILE 559 Cb 0.64 1.12 -0.08 0.00 -0.74 0.00 0.00 36.82 37.77 1pwp h ILE 559 CO 0.04 0.08 -0.32 -0.61 0.00 0.00 0.00 178.15 177.34 1pwp h GLN 560 N -0.37 -0.31 -0.50 2.37 -0.00 -0.75 0.54 115.11 116.08 1pwp h GLN 560 Ca -0.02 0.02 0.08 0.00 -0.00 0.00 0.00 58.65 58.73 1pwp h GLN 560 Cb 0.29 0.07 -0.06 0.00 0.00 0.00 0.00 27.48 27.78 1pwp h GLN 560 CO 0.04 -0.21 0.14 0.93 0.00 0.00 0.00 178.83 179.73 1pwp h GLU 561 N -0.33 0.29 -0.54 1.69 5.08 -0.99 -1.79 114.58 118.00 1pwp h GLU 561 Ca 0.13 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 1pwp h GLU 561 Cb 0.54 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.65 1pwp h GLU 561 CO -0.43 0.19 0.17 0.00 -1.00 0.00 0.00 179.01 177.94 1pwp h ALA 562 N 1.36 0.66 0.39 3.43 0.00 0.53 -1.26 119.26 124.38 1pwp h ALA 562 Ca 0.25 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1pwp h ALA 562 Cb 0.30 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1pwp h ALA 562 CO -0.29 -0.24 -0.34 0.37 0.00 0.00 0.00 179.25 178.76 1pwp h GLN 563 N 0.34 -0.72 -0.97 0.00 4.15 -0.11 0.64 115.11 118.44 1pwp h GLN 563 Ca 0.27 0.05 0.21 0.00 0.77 0.00 0.00 58.65 59.95 1pwp h GLN 563 Cb 0.32 0.16 -0.09 0.00 0.21 0.00 0.00 27.48 28.09 1pwp h GLN 563 CO -0.29 -0.48 0.62 1.25 -1.93 0.00 0.00 178.83 178.00 1pwp h LEU 564 N -0.74 0.54 0.11 -2.39 5.85 -1.06 -2.15 115.31 115.47 1pwp h LEU 564 Ca -0.03 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1pwp h LEU 564 Cb 0.65 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1pwp h LEU 564 CO -0.03 0.19 -0.05 -1.13 -0.34 0.00 0.00 178.44 177.07 1pwp h ASN 565 N 0.52 -0.13 -0.03 1.25 -0.73 -0.09 -2.15 115.58 114.23 1pwp h ASN 565 Ca 0.53 -0.38 0.01 0.00 1.87 0.00 0.00 56.30 58.33 1pwp h ASN 565 Cb 1.16 0.03 -0.00 0.00 0.27 0.00 0.00 38.32 39.78 1pwp h ASN 565 CO -0.27 0.34 0.03 -0.29 -0.37 0.00 0.00 177.43 176.87 1pwp h ILE 566 N -0.64 0.66 0.10 2.57 2.10 -0.30 -1.54 117.51 120.47 1pwp h ILE 566 Ca -0.02 0.00 -0.30 0.00 1.08 0.00 0.00 64.86 65.63 1pwp h ILE 566 Cb 0.50 0.98 0.03 0.00 -1.09 0.00 0.00 36.82 37.24 1pwp h ILE 566 CO 0.03 0.00 -1.21 0.78 -1.08 0.00 0.00 178.15 176.66 1pwp h ASN 567 N 0.00 0.89 -0.37 2.19 2.35 -1.40 -2.14 115.58 117.11 1pwp h ASN 567 Ca 0.01 -0.81 -0.05 0.00 -0.55 0.00 0.00 56.30 54.90 1pwp h ASN 567 Cb 0.07 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1pwp h ASN 567 CO -0.00 1.61 0.06 1.56 -1.65 0.00 0.00 177.43 179.01 1pwp h GLN 568 N 0.30 0.70 0.16 0.81 4.20 -0.65 0.03 115.11 120.66 1pwp h GLN 568 Ca -0.18 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.37 1pwp h GLN 568 Cb 1.88 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.56 1pwp h GLN 568 CO 0.23 0.67 -0.07 1.49 -0.67 0.00 0.00 178.83 180.48 1pwp h GLU 569 N 0.67 -0.20 0.00 1.46 4.81 -1.33 -3.22 114.58 116.77 1pwp h GLU 569 Ca 0.15 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.27 1pwp h GLU 569 Cb 0.32 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1pwp h GLU 569 CO 0.01 0.19 -0.58 -1.49 -0.73 0.00 0.00 179.01 176.41 1pwp h TRP 570 N -0.66 0.00 -0.02 0.92 4.06 -1.30 -2.35 115.95 116.60 1pwp h TRP 570 Ca -0.02 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.93 1pwp h TRP 570 Cb 0.49 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.64 1pwp h TRP 570 CO 0.06 0.58 0.00 -0.91 -3.56 0.00 0.00 178.44 174.61 1pwp h ASN 571 N 0.00 0.02 0.14 -3.49 -0.26 -1.09 -1.24 115.58 109.65 1pwp h ASN 571 Ca -0.01 -0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1pwp h ASN 571 Cb 1.20 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.45 1pwp h ASN 571 CO 0.07 0.03 -0.07 0.50 -1.06 0.00 0.00 177.43 176.91 1pwp h LYS 572 N 0.03 -0.18 -0.27 0.81 3.64 -1.45 -0.04 116.57 119.10 1pwp h LYS 572 Ca 0.01 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.48 1pwp h LYS 572 Cb 0.02 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1pwp h LYS 572 CO -0.00 0.25 0.19 0.00 -2.27 0.00 0.00 179.45 177.63 1pwp h ALA 573 N -0.41 2.24 -0.02 5.00 0.00 -1.20 -1.46 119.26 123.41 1pwp h ALA 573 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pwp h ALA 573 Cb 0.51 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1pwp h ALA 573 CO 0.03 -0.32 -0.22 1.28 0.00 0.00 0.00 179.25 180.03 1pwp n LEU 574 N -4.46 2.18 -1.56 0.00 4.77 -0.49 -4.96 117.00 112.48 1pwp n LEU 574 Ca 0.03 -0.75 -0.16 0.00 -0.03 0.00 0.00 56.01 55.11 1pwp n LEU 574 Cb 0.35 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 1pwp n LEU 574 CO 0.35 0.38 -0.18 0.61 -1.33 0.00 0.00 177.39 177.22 1pwp n GLY 575 N 1.35 0.55 3.87 -0.72 0.00 -0.55 -4.89 105.19 104.80 1pwp n GLY 575 Ca 0.13 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.16 3.21 0.67 0.99 1.43 -0.07 -5.01 118.68 115.74 1pwp s LEU 576 Ca 0.00 1.42 -0.17 0.00 -1.03 0.00 0.00 54.13 54.35 1pwp s LEU 576 Cb 0.00 -4.45 -0.00 0.00 0.03 0.00 0.00 46.19 41.77 1pwp s LEU 576 CO 0.00 -0.92 1.16 -2.65 0.23 0.00 0.00 176.35 174.17 1pwp n PRO 577 N -2.78 0.85 -2.13 1.29 -0.02 -1.26 -4.69 135.00 126.26 1pwp n PRO 577 Ca 0.06 0.35 -0.38 0.00 -2.02 0.00 0.00 63.50 61.51 1pwp n PRO 577 Cb 0.54 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1pwp n PRO 577 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1pwp s LYS 578 N -3.34 3.68 -0.09 -0.52 2.20 -1.26 -3.02 119.74 117.39 1pwp s LYS 578 Ca 0.79 1.93 0.00 0.00 -0.36 0.00 0.00 55.97 58.33 1pwp s LYS 578 Cb -0.37 -2.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.51 1pwp s LYS 578 CO 0.44 -0.66 0.00 0.66 -0.36 0.00 0.00 175.35 175.43 1pwp n TYR 579 N -0.47 0.00 -2.38 4.03 0.53 -1.26 -5.01 117.16 112.60 1pwp n TYR 579 Ca 0.07 0.00 -0.38 0.00 -1.02 0.00 0.00 57.90 56.57 1pwp n TYR 579 Cb 0.47 -0.45 -0.03 0.00 -1.03 0.00 0.00 39.34 38.29 1pwp n TYR 579 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 1pwp s THR 580 N -1.97 3.33 -0.81 -0.72 2.01 -1.17 -4.98 115.64 111.33 1pwp s THR 580 Ca 0.00 1.14 -0.02 0.00 0.31 0.00 0.00 61.69 63.12 1pwp s THR 580 Cb 0.00 -3.65 0.20 0.00 0.01 0.00 0.00 72.50 69.06 1pwp s THR 580 CO 0.00 0.13 0.67 -0.54 -0.69 0.00 0.00 174.62 174.19 1pwp s LYS 581 N -2.16 3.06 -0.22 4.92 1.02 -1.26 -4.88 119.74 120.22 1pwp s LYS 581 Ca 0.54 -3.03 -0.07 0.00 0.02 0.00 0.00 55.97 53.44 1pwp s LYS 581 Cb -0.29 -3.89 -0.18 0.00 -0.52 0.00 0.00 37.83 32.94 1pwp s LYS 581 CO 0.37 -1.24 -0.05 -0.11 -0.92 0.00 0.00 175.35 173.40 1pwp n LEU 582 N 2.72 2.53 -4.82 3.17 7.94 -1.26 -4.84 117.00 122.45 1pwp n LEU 582 Ca 0.17 0.12 -0.36 0.00 -1.11 0.00 0.00 56.01 54.84 1pwp n LEU 582 Cb 0.38 -0.95 -0.07 0.00 0.53 0.00 0.00 43.42 43.31 1pwp n LEU 582 CO 0.35 0.76 -0.21 -0.63 -1.11 0.00 0.00 177.39 176.54 1pwp s ILE 583 N -2.51 5.10 -0.03 1.96 1.01 -1.26 -0.23 121.20 125.24 1pwp s ILE 583 Ca -0.32 -0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.33 1pwp s ILE 583 Cb 0.09 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.33 1pwp s ILE 583 CO 0.62 0.55 -0.10 -0.89 0.00 0.00 0.00 174.94 175.12 1pwp s THR 584 N -1.05 0.83 -0.39 2.92 2.01 -0.41 -4.93 115.64 114.63 1pwp s THR 584 Ca 0.17 -0.39 -0.08 0.00 0.31 0.00 0.00 61.69 61.70 1pwp s THR 584 Cb -0.12 -0.73 0.06 0.00 0.01 0.00 0.00 72.50 71.72 1pwp s THR 584 CO 0.07 0.26 0.20 -0.36 -0.69 0.00 0.00 174.62 174.09 1pwp s PHE 585 N 0.16 3.32 -0.92 4.92 2.99 -1.26 -1.22 117.98 125.97 1pwp s PHE 585 Ca -0.03 -1.51 0.00 0.00 0.00 0.00 0.00 56.93 55.39 1pwp s PHE 585 Cb -0.09 -2.70 0.31 0.00 0.00 0.00 0.00 43.02 40.55 1pwp s PHE 585 CO 0.01 -0.80 1.45 -1.71 -0.00 0.00 0.00 175.22 174.17 1pwp n ASN 586 N 4.86 6.18 -4.75 1.36 2.85 -0.41 -5.01 115.26 120.35 1pwp n ASN 586 Ca -0.10 -3.58 -0.37 0.00 -0.11 0.00 0.00 54.58 50.42 1pwp n ASN 586 Cb 0.44 -1.03 -0.07 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 -3.70 5.30 0.00 3.44 1.01 -1.26 -3.14 120.40 122.04 1pwp s VAL 587 Ca 0.39 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.91 1pwp s VAL 587 Cb 0.16 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1pwp s VAL 587 CO -0.05 0.42 0.14 1.41 0.00 0.00 0.00 175.10 177.03 1pwp n HIS 588 N 3.34 0.00 -3.89 5.22 8.25 -1.26 -5.01 115.22 121.87 1pwp n HIS 588 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1pwp n HIS 588 Cb 0.52 0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.66 1pwp n HIS 588 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1pwp n ASN 589 N 0.00 1.84 0.32 0.41 5.03 -1.26 -3.89 115.26 117.71 1pwp n ASN 589 Ca 0.00 -0.89 0.19 0.00 0.87 0.00 0.00 54.58 54.75 1pwp n ASN 589 Cb 0.36 0.00 1.07 0.00 -1.02 0.00 0.00 39.78 40.19 1pwp n ASN 589 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 1pwp h ARG 590 N 0.00 0.00 -0.35 3.52 2.47 -1.69 -1.37 114.38 116.96 1pwp h ARG 590 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1pwp h ARG 590 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1pwp h ARG 590 CO 0.00 0.00 0.00 0.98 0.56 0.00 0.00 179.97 181.51 1pwp n TYR 591 N -3.46 1.18 -0.16 3.04 9.36 -1.26 -4.39 117.16 121.47 1pwp n TYR 591 Ca -0.03 -0.81 -0.04 0.00 3.32 0.00 0.00 57.90 60.34 1pwp n TYR 591 Cb 0.08 -0.34 -0.04 0.00 -0.63 0.00 0.00 39.34 38.41 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 -0.13 -0.24 0.15 2.98 0.00 -0.83 -0.07 120.51 122.37 1pwp n ALA 592 Ca 0.22 0.32 0.17 0.00 0.00 0.00 0.00 53.44 54.16 1pwp n ALA 592 Cb 0.93 0.06 0.76 0.00 0.00 0.00 0.00 19.45 21.20 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 0.00 0.42 0.00 4.64 -1.69 -0.98 113.55 115.93 1pwp h SER 593 Ca 0.06 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.21 1pwp h SER 593 Cb 0.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1pwp h SER 593 CO -0.36 0.00 -0.71 -1.13 -0.87 0.00 0.00 176.83 173.77 1pwp h ASN 594 N 0.00 0.30 -0.57 4.97 -0.73 -0.56 -2.41 115.58 116.58 1pwp h ASN 594 Ca 0.13 -0.19 -0.02 0.00 1.87 0.00 0.00 56.30 58.08 1pwp h ASN 594 Cb 0.63 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 39.10 1pwp h ASN 594 CO -0.00 0.91 0.26 0.40 -0.37 0.00 0.00 177.43 178.63 1pwp h ILE 595 N 0.17 1.21 0.69 2.57 1.08 -1.11 -0.78 117.51 121.33 1pwp h ILE 595 Ca -0.02 -0.62 -0.03 0.00 -0.39 0.00 0.00 64.86 63.80 1pwp h ILE 595 Cb 1.26 0.56 0.01 0.00 -3.07 0.00 0.00 36.82 35.58 1pwp h ILE 595 CO 0.11 0.24 -0.33 0.58 -0.69 0.00 0.00 178.15 178.07 1pwp h VAL 596 N 0.78 0.00 -0.76 1.67 2.07 -1.49 -2.98 116.25 115.53 1pwp h VAL 596 Ca 0.19 -0.17 0.10 0.00 0.82 0.00 0.00 66.70 67.64 1pwp h VAL 596 Cb 0.14 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.86 1pwp h VAL 596 CO -0.02 0.00 0.50 -0.33 0.02 0.00 0.00 177.57 177.74 1pwp h GLU 597 N -1.10 0.66 -0.60 1.57 4.39 -1.44 -2.26 114.58 115.81 1pwp h GLU 597 Ca -0.09 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.48 1pwp h GLU 597 Cb 0.71 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1pwp h GLU 597 CO 0.15 0.44 0.03 0.66 -1.16 0.00 0.00 179.01 179.13 1pwp h SER 598 N 0.68 1.02 -1.17 1.42 4.64 -1.18 -2.66 113.55 116.30 1pwp h SER 598 Ca 0.35 -0.29 0.33 0.00 -0.47 0.00 0.00 61.79 61.71 1pwp h SER 598 Cb 0.46 -0.27 -0.08 0.00 -0.31 0.00 0.00 62.40 62.19 1pwp h SER 598 CO -0.13 1.06 0.79 0.00 -0.87 0.00 0.00 176.83 177.68 1pwp h ALA 599 N 0.99 2.68 -0.16 5.18 0.00 -1.24 0.87 119.26 127.59 1pwp h ALA 599 Ca 0.17 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1pwp h ALA 599 Cb 0.52 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1pwp h ALA 599 CO 0.03 -1.10 -0.11 1.88 0.00 0.00 0.00 179.25 179.94 1pwp h TYR 600 N 0.19 0.42 -0.53 0.00 -1.99 -1.55 -2.00 116.97 111.51 1pwp h TYR 600 Ca 0.63 -0.11 -0.02 0.00 2.00 0.00 0.00 58.73 61.23 1pwp h TYR 600 Cb 2.02 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 40.63 1pwp h TYR 600 CO -0.00 0.71 0.27 -0.07 -0.00 0.00 0.00 178.16 179.06 1pwp h LEU 601 N 0.01 0.68 -0.10 3.88 3.38 0.42 -2.51 115.31 121.07 1pwp h LEU 601 Ca 0.03 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1pwp h LEU 601 Cb 0.61 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1pwp h LEU 601 CO 0.03 0.61 0.05 0.40 0.09 0.00 0.00 178.44 179.62 1pwp h ILE 602 N 0.71 1.01 0.00 1.22 2.04 0.24 -2.32 117.51 120.40 1pwp h ILE 602 Ca 0.18 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 1pwp h ILE 602 Cb 0.10 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1pwp h ILE 602 CO -0.03 0.02 -0.10 -0.07 0.00 0.00 0.00 178.15 177.98 1pwp h LEU 603 N 0.11 0.00 -0.36 1.44 3.38 -1.29 -2.43 115.31 116.16 1pwp h LEU 603 Ca 0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1pwp h LEU 603 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1pwp h LEU 603 CO -0.02 0.10 -0.32 0.78 0.09 0.00 0.00 178.44 179.07 1pwp h ASN 604 N 0.00 0.91 -0.25 -0.43 2.35 -0.97 -1.52 115.58 115.67 1pwp h ASN 604 Ca -0.00 -0.45 -0.01 0.00 -0.55 0.00 0.00 56.30 55.29 1pwp h ASN 604 Cb 0.43 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1pwp h ASN 604 CO 0.01 1.17 0.13 -0.33 -1.65 0.00 0.00 177.43 176.76 1pwp h GLU 605 N 0.65 0.35 -0.35 0.81 4.39 -1.11 0.58 114.58 119.91 1pwp h GLU 605 Ca 0.06 -0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.79 1pwp h GLU 605 Cb 0.90 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.41 1pwp h GLU 605 CO 0.08 0.34 -0.14 2.35 -1.16 0.00 0.00 179.01 180.48 1pwp h TRP 606 N 0.28 -0.34 -0.08 4.33 7.01 -1.34 0.28 115.95 126.09 1pwp h TRP 606 Ca 0.09 0.04 -0.14 0.00 2.11 0.00 0.00 58.89 60.98 1pwp h TRP 606 Cb 0.09 0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.35 1pwp h TRP 606 CO -0.03 -0.22 -0.58 -0.22 -2.79 0.00 0.00 178.44 174.60 1pwp h LYS 607 N -0.07 0.27 0.00 2.65 1.63 -1.13 -3.05 116.57 116.87 1pwp h LYS 607 Ca 0.18 -0.18 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 1pwp h LYS 607 Cb 0.34 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 1pwp h LYS 607 CO -0.40 0.78 -0.23 -0.91 -3.45 0.00 0.00 179.45 175.23 1pwp h ASN 608 N 0.20 0.00 -0.18 4.20 -0.26 -0.12 -3.31 115.58 116.11 1pwp h ASN 608 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1pwp h ASN 608 Cb 1.08 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.34 1pwp h ASN 608 CO 0.09 0.23 0.00 0.59 -1.06 0.00 0.00 177.43 177.29 1pwp n ASN 609 N -3.31 2.41 -3.93 5.81 5.03 0.02 -5.01 115.26 116.27 1pwp n ASN 609 Ca 0.01 -1.75 -0.15 0.00 0.87 0.00 0.00 54.58 53.56 1pwp n ASN 609 Cb 0.48 -0.12 -0.14 0.00 -1.02 0.00 0.00 39.78 38.98 1pwp n ASN 609 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1pwp s ILE 610 N -0.93 0.29 -0.35 2.41 1.01 -1.16 -4.80 121.20 117.68 1pwp s ILE 610 Ca 0.17 -0.15 -0.42 0.00 0.00 0.00 0.00 60.65 60.25 1pwp s ILE 610 Cb 0.10 -0.25 -0.17 0.00 0.01 0.00 0.00 42.46 42.15 1pwp s ILE 610 CO 0.14 0.08 1.76 1.67 0.00 0.00 0.00 174.94 178.59 1pwp n GLN 611 N 3.00 0.83 -0.33 2.79 0.00 -1.26 -4.82 117.38 117.60 1pwp n GLN 611 Ca -0.13 0.30 0.23 0.00 -0.00 0.00 0.00 57.00 57.40 1pwp n GLN 611 Cb 0.59 -1.96 0.44 0.00 0.00 0.00 0.00 30.24 29.30 1pwp n GLN 611 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1pwp h SER 612 N 7.11 -0.01 -0.30 1.69 0.87 -1.98 0.92 113.55 121.84 1pwp h SER 612 Ca -0.43 0.26 -0.12 0.00 -1.23 0.00 0.00 61.79 60.27 1pwp h SER 612 Cb 1.33 0.35 -0.01 0.00 -0.44 0.00 0.00 62.40 63.63 1pwp h SER 612 CO 0.98 -0.36 -0.24 0.44 -0.53 0.00 0.00 176.83 177.11 1pwp h ASP 613 N 0.04 0.81 -0.75 6.23 3.45 -1.99 -2.26 116.42 121.96 1pwp h ASP 613 Ca 0.72 -0.30 -0.02 0.00 0.43 0.00 0.00 57.03 57.86 1pwp h ASP 613 Cb 1.71 -0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 40.22 1pwp h ASP 613 CO -0.81 1.02 0.40 0.25 -1.57 0.00 0.00 179.24 178.53 1pwp h LEU 614 N 0.69 0.95 0.28 1.55 5.85 -1.18 -0.65 115.31 122.80 1pwp h LEU 614 Ca 0.09 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1pwp h LEU 614 Cb 0.77 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1pwp h LEU 614 CO 0.06 0.78 -0.13 0.40 -0.34 0.00 0.00 178.44 179.21 1pwp h ILE 615 N 1.05 0.00 -0.71 4.05 1.08 -1.37 0.29 117.51 121.89 1pwp h ILE 615 Ca 0.26 -0.01 0.09 0.00 -0.39 0.00 0.00 64.86 64.82 1pwp h ILE 615 Cb 0.05 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.69 1pwp h ILE 615 CO -0.04 0.00 -0.48 0.11 -0.69 0.00 0.00 178.15 177.05 1pwp h LYS 616 N -0.38 -0.16 -0.03 2.37 6.56 -1.37 0.21 116.57 123.77 1pwp h LYS 616 Ca -0.04 0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.60 1pwp h LYS 616 Cb 0.29 0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 31.94 1pwp h LYS 616 CO 0.06 -0.11 -0.23 0.87 -2.06 0.00 0.00 179.45 177.99 1pwp h LYS 617 N -0.17 -0.33 0.38 3.15 1.79 -1.14 -0.78 116.57 119.48 1pwp h LYS 617 Ca 0.18 0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.66 1pwp h LYS 617 Cb 0.54 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1pwp h LYS 617 CO -0.77 -0.22 -0.18 0.28 -1.08 0.00 0.00 179.45 177.47 1pwp h VAL 618 N -0.34 0.63 -0.83 0.50 2.07 -0.03 -2.92 116.25 115.33 1pwp h VAL 618 Ca 0.07 -0.09 0.11 0.00 0.82 0.00 0.00 66.70 67.61 1pwp h VAL 618 Cb 0.44 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 30.81 1pwp h VAL 618 CO -0.23 0.02 0.45 0.74 0.02 0.00 0.00 177.57 178.57 1pwp h THR 619 N -0.56 0.84 -0.67 2.57 2.02 -0.50 -0.96 112.91 115.65 1pwp h THR 619 Ca -0.05 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 66.90 1pwp h THR 619 Cb 0.42 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 1pwp h THR 619 CO 0.09 0.13 0.44 0.78 0.37 0.00 0.00 175.52 177.33 1pwp h ASN 620 N 0.72 0.73 -0.43 4.18 2.35 -1.08 0.54 115.58 122.58 1pwp h ASN 620 Ca 0.42 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 56.11 1pwp h ASN 620 Cb 0.47 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1pwp h ASN 620 CO -0.29 0.51 0.09 0.22 -1.65 0.00 0.00 177.43 176.31 1pwp h TYR 621 N 0.85 0.74 -0.37 1.19 3.20 -1.00 0.52 116.97 122.10 1pwp h TYR 621 Ca 0.26 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 1pwp h TYR 621 Cb -0.01 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 1pwp h TYR 621 CO -0.00 0.70 0.08 -0.07 -1.64 0.00 0.00 178.16 177.23 1pwp h LEU 622 N 0.57 0.57 -0.68 2.82 3.38 -0.64 -2.80 115.31 118.52 1pwp h LEU 622 Ca 0.13 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1pwp h LEU 622 Cb 0.34 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1pwp h LEU 622 CO 0.00 0.66 0.42 0.58 0.09 0.00 0.00 178.44 180.19 1pwp h VAL 623 N 0.45 1.19 0.00 1.22 2.07 0.24 0.12 116.25 121.55 1pwp h VAL 623 Ca 0.12 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1pwp h VAL 623 Cb 0.32 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1pwp h VAL 623 CO 0.00 0.20 0.01 0.47 0.02 0.00 0.00 177.57 178.27 1pwp n ASP 624 N -4.57 0.40 -1.05 0.57 8.00 0.15 0.06 116.55 120.12 1pwp n ASP 624 Ca 0.06 0.68 0.08 0.00 0.71 0.00 0.00 54.79 56.32 1pwp n ASP 624 Cb 0.05 -0.73 0.27 0.00 -0.02 0.00 0.00 41.12 40.69 1pwp n ASP 624 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pwp n GLY 625 N -1.35 3.61 2.90 0.44 0.00 -0.31 -4.93 105.19 105.55 1pwp n GLY 625 Ca -0.01 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 1pwp n GLY 625 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pwp n ASN 626 N -0.08 -5.30 -4.80 1.61 5.15 0.11 -4.75 115.26 107.20 1pwp n ASN 626 Ca 0.21 -0.19 -0.30 0.00 -0.60 0.00 0.00 54.58 53.70 1pwp n ASN 626 Cb 0.87 -4.34 0.09 0.00 -0.53 0.00 0.00 39.78 35.87 1pwp n ASN 626 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1pwp s GLY 627 N -2.49 1.62 0.02 8.20 0.00 -0.12 -4.97 107.32 109.58 1pwp s GLY 627 Ca 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.75 1pwp s GLY 627 CO 0.28 0.23 -0.03 0.50 0.00 0.00 0.00 173.10 174.08 1pwp s ARG 628 N -5.14 0.32 -0.47 2.90 1.81 -1.24 -4.72 118.95 112.42 1pwp s ARG 628 Ca 0.61 -0.60 -0.15 0.00 -1.72 0.00 0.00 55.73 53.87 1pwp s ARG 628 Cb -0.15 0.05 0.07 0.00 -0.45 0.00 0.00 34.95 34.47 1pwp s ARG 628 CO 0.54 -0.03 0.39 -0.06 -0.68 0.00 0.00 175.30 175.45 1pwp s PHE 629 N -1.37 3.24 -0.31 -0.53 2.99 0.68 -1.62 117.98 121.06 1pwp s PHE 629 Ca -0.14 -0.89 -0.11 0.00 0.00 0.00 0.00 56.93 55.79 1pwp s PHE 629 Cb -0.09 -3.11 -0.02 0.00 0.00 0.00 0.00 43.02 39.80 1pwp s PHE 629 CO -0.01 -0.77 0.18 0.08 -0.00 0.00 0.00 175.22 174.70 1pwp s VAL 630 N 1.65 4.94 -0.25 -0.44 1.01 -0.08 -1.28 120.40 125.95 1pwp s VAL 630 Ca 0.04 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 1pwp s VAL 630 Cb -0.24 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1pwp s VAL 630 CO 0.07 0.11 0.11 -0.36 0.00 0.00 0.00 175.10 175.04 1pwp s PHE 631 N 1.68 3.17 0.10 5.22 0.40 -0.35 -1.09 117.98 127.11 1pwp s PHE 631 Ca 0.06 -0.13 -0.06 0.00 -0.60 0.00 0.00 56.93 56.20 1pwp s PHE 631 Cb -0.17 -2.26 -0.02 0.00 0.51 0.00 0.00 43.02 41.09 1pwp s PHE 631 CO 0.08 -0.18 0.14 -0.08 0.70 0.00 0.00 175.22 175.88 1pwp s THR 632 N 1.41 0.14 -0.11 0.64 -1.32 -0.88 -1.28 115.64 114.24 1pwp s THR 632 Ca 0.06 -1.48 0.13 0.00 -1.21 0.00 0.00 61.69 59.18 1pwp s THR 632 Cb -0.15 -1.60 0.21 0.00 -1.51 0.00 0.00 72.50 69.45 1pwp s THR 632 CO 0.05 -0.62 1.12 -0.90 -2.21 0.00 0.00 174.62 172.06 1pwp n ASP 633 N -0.06 2.32 -4.51 8.08 5.75 -1.19 -1.43 116.55 125.52 1pwp n ASP 633 Ca -0.12 -2.73 -0.29 0.00 -0.01 0.00 0.00 54.79 51.65 1pwp n ASP 633 Cb 0.62 -0.30 -0.11 0.00 -1.03 0.00 0.00 41.12 40.31 1pwp n ASP 633 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1pwp s ILE 634 N -2.26 2.91 0.29 2.12 -4.36 -1.26 -4.76 121.20 113.88 1pwp s ILE 634 Ca 0.22 -1.56 -0.30 0.00 -0.26 0.00 0.00 60.65 58.76 1pwp s ILE 634 Cb 0.19 -2.36 -0.12 0.00 1.25 0.00 0.00 42.46 41.42 1pwp s ILE 634 CO 0.03 0.04 1.48 0.35 0.24 0.00 0.00 174.94 177.08 1pwp n THR 635 N 0.60 1.23 -0.39 8.37 -2.24 -0.99 -4.90 114.28 115.96 1pwp n THR 635 Ca -0.14 -0.31 0.36 0.00 -2.27 0.00 0.00 64.05 61.69 1pwp n THR 635 Cb 0.53 -1.75 0.72 0.00 -2.10 0.00 0.00 70.33 67.73 1pwp n THR 635 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1pwp h LEU 636 N 4.10 0.09 0.00 3.22 4.07 -1.90 0.25 115.31 125.15 1pwp h LEU 636 Ca -0.47 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.52 1pwp h LEU 636 Cb 1.25 0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.00 1pwp h LEU 636 CO 0.74 -0.00 0.00 -2.65 -1.08 0.00 0.00 178.44 175.45 1pwp n PRO 637 N -4.26 0.37 -0.15 1.13 -0.02 -1.25 -2.20 135.00 128.64 1pwp n PRO 637 Ca 0.29 0.05 0.05 0.00 -2.02 0.00 0.00 63.50 61.87 1pwp n PRO 637 Cb 1.31 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 33.41 1pwp n PRO 637 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1pwp n ASN 638 N -1.10 2.74 -4.73 2.55 4.13 0.08 -4.49 115.26 114.43 1pwp n ASN 638 Ca 0.10 -2.15 -0.35 0.00 1.68 0.00 0.00 54.58 53.85 1pwp n ASN 638 Cb 0.07 -0.21 -0.08 0.00 -1.54 0.00 0.00 39.78 38.03 1pwp n ASN 638 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1pwp s ILE 639 N -1.27 5.39 0.26 2.41 1.01 -0.93 -4.99 121.20 123.08 1pwp s ILE 639 Ca 0.19 0.25 -0.01 0.00 0.00 0.00 0.00 60.65 61.08 1pwp s ILE 639 Cb 0.12 -3.50 0.25 0.00 0.01 0.00 0.00 42.46 39.34 1pwp s ILE 639 CO 0.10 0.43 1.81 0.00 0.00 0.00 0.00 174.94 177.27 1pwp h ALA 640 N 6.71 1.34 0.00 9.38 0.00 -1.92 0.17 119.26 134.94 1pwp h ALA 640 Ca -0.41 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1pwp h ALA 640 Cb 1.15 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1pwp h ALA 640 CO 0.76 0.09 0.49 0.93 0.00 0.00 0.00 179.25 181.51 1pwp h GLU 641 N 0.82 0.00 0.00 0.00 3.07 -1.95 -1.65 114.58 114.87 1pwp h GLU 641 Ca 0.46 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.29 1pwp h GLU 641 Cb 0.50 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1pwp h GLU 641 CO -0.29 0.00 -0.89 0.94 -1.40 0.00 0.00 179.01 177.37 1pwp n GLN 642 N -2.70 0.42 0.24 2.33 7.27 -0.00 -4.65 117.38 120.28 1pwp n GLN 642 Ca -0.01 0.17 0.09 0.00 0.07 0.00 0.00 57.00 57.31 1pwp n GLN 642 Cb 0.52 -1.23 0.62 0.00 2.41 0.00 0.00 30.24 32.56 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 -0.78 0.00 0.00 3.69 -0.00 -1.19 -2.44 116.97 116.25 1pwp h TYR 643 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.69 1pwp h TYR 643 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.57 1pwp h TYR 643 CO -0.32 0.15 0.00 0.25 -0.00 0.00 0.00 178.16 178.24 1pwp n THR 644 N -4.02 0.08 -0.05 -0.90 -2.24 -0.64 -2.85 114.28 103.66 1pwp n THR 644 Ca -0.02 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1pwp n THR 644 Cb 0.23 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 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 -1.07 0.00 -2.77 4.78 8.25 -0.92 -5.05 115.22 118.44 1pwp n HIS 645 Ca 0.16 -0.21 -0.32 0.00 -0.26 0.00 0.00 57.72 57.08 1pwp n HIS 645 Cb 0.10 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.43 3.94 -0.06 -0.41 -0.21 -1.13 -5.01 119.66 116.34 1pwp s GLN 646 Ca 0.00 0.74 -0.03 0.00 0.02 0.00 0.00 55.36 56.10 1pwp s GLN 646 Cb 0.00 -2.29 -0.02 0.00 1.00 0.00 0.00 33.01 31.70 1pwp s GLN 646 CO 0.00 -0.07 0.14 -0.44 -2.12 0.00 0.00 175.29 172.80 1pwp h ASP 647 N 1.44 -0.08 -2.09 5.90 3.32 -1.96 -3.47 116.42 119.48 1pwp h ASP 647 Ca -0.47 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.02 1pwp h ASP 647 Cb 1.18 0.02 -0.10 0.00 0.22 0.00 0.00 39.33 40.66 1pwp h ASP 647 CO 0.63 0.27 -0.63 -1.61 -1.72 0.00 0.00 179.24 176.18 1pwp s GLU 648 N -1.77 2.23 0.06 3.56 0.41 -1.26 -5.06 118.70 116.86 1pwp s GLU 648 Ca -0.01 -1.52 -0.29 0.00 -0.41 0.00 0.00 54.97 52.74 1pwp s GLU 648 Cb 0.00 -2.10 -0.17 0.00 -1.78 0.00 0.00 34.13 30.08 1pwp s GLU 648 CO 0.04 0.27 1.54 0.82 -0.49 0.00 0.00 175.26 177.45 1pwp h ILE 649 N 1.83 0.58 0.00 -1.63 2.04 -1.92 -2.97 117.51 115.45 1pwp h ILE 649 Ca -0.44 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1pwp h ILE 649 Cb 1.25 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1pwp h ILE 649 CO 0.62 0.03 0.03 0.00 0.00 0.00 0.00 178.15 178.83 1pwp n TYR 650 N -5.30 0.00 1.72 1.37 0.18 -1.26 -1.80 117.16 112.07 1pwp n TYR 650 Ca -0.11 0.00 0.15 0.00 1.88 0.00 0.00 57.90 59.82 1pwp n TYR 650 Cb 0.26 -0.09 0.77 0.00 -0.38 0.00 0.00 39.34 39.90 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 -0.99 1.04 -0.75 -3.48 1.02 -1.12 -4.73 120.64 111.63 1pwp n GLU 651 Ca 0.00 -0.27 -0.32 0.00 -0.02 0.00 0.00 57.16 56.55 1pwp n GLU 651 Cb 0.03 -1.49 0.14 0.00 -0.02 0.00 0.00 31.44 30.10 1pwp n GLU 651 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pwp n GLN 652 N -0.75 -0.53 -3.82 3.49 10.64 -0.74 -5.05 117.38 120.61 1pwp n GLN 652 Ca 0.20 -0.11 -0.12 0.00 -1.83 0.00 0.00 57.00 55.14 1pwp n GLN 652 Cb 0.21 -1.95 -0.13 0.00 -0.86 0.00 0.00 30.24 27.52 1pwp n GLN 652 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1pwp s VAL 653 N -2.42 -0.00 -0.05 -0.39 1.01 -1.26 -5.08 120.40 112.21 1pwp s VAL 653 Ca 0.59 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.59 1pwp s VAL 653 Cb -0.21 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.00 1pwp s VAL 653 CO 0.66 0.00 -0.05 -2.28 0.00 0.00 0.00 175.10 173.43 1pwp s HIS 654 N 0.13 0.78 0.02 5.22 5.04 -1.26 -3.74 115.29 121.47 1pwp s HIS 654 Ca -0.00 -0.22 -0.05 0.00 -1.54 0.00 0.00 55.06 53.25 1pwp s HIS 654 Cb -0.01 -0.68 0.02 0.00 0.04 0.00 0.00 32.58 31.94 1pwp s HIS 654 CO -0.00 -0.20 0.22 -1.13 -2.34 0.00 0.00 174.74 171.29 1pwp n SER 655 N 4.05 -0.30 -0.12 9.88 3.41 -1.26 -5.03 113.62 124.26 1pwp n SER 655 Ca -0.24 -1.12 -0.05 0.00 -0.26 0.00 0.00 58.87 57.19 1pwp n SER 655 Cb 0.51 0.47 0.03 0.00 -0.26 0.00 0.00 64.21 64.96 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 0.18 -4.59 4.33 1.63 -1.89 -3.39 116.57 112.84 1pwp h LYS 656 Ca -0.05 -0.01 -0.39 0.00 -0.85 0.00 0.00 60.65 59.35 1pwp h LYS 656 Cb 0.23 -0.04 -0.11 0.00 -0.60 0.00 0.00 32.23 31.71 1pwp h LYS 656 CO 0.07 0.12 -0.37 0.20 -3.45 0.00 0.00 179.45 176.02 1pwp s GLY 657 N -2.86 2.00 -0.29 5.01 0.00 -1.26 -0.55 107.32 109.37 1pwp s GLY 657 Ca -0.13 -1.86 -0.24 0.00 0.00 0.00 0.00 44.72 42.49 1pwp s GLY 657 CO 0.71 -1.29 1.18 -2.27 0.00 0.00 0.00 173.10 171.44 1pwp s LEU 658 N -3.32 -0.30 -0.16 0.66 2.96 -0.69 -4.96 118.68 112.87 1pwp s LEU 658 Ca 0.37 0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 54.85 1pwp s LEU 658 Cb 0.01 1.57 -0.01 0.00 0.50 0.00 0.00 46.19 48.27 1pwp s LEU 658 CO 0.25 -0.10 -0.13 -0.47 -1.32 0.00 0.00 176.35 174.58 1pwp s TYR 659 N 0.27 2.82 -0.30 5.38 5.04 -1.26 -0.41 117.35 128.90 1pwp s TYR 659 Ca 0.03 -0.89 -0.03 0.00 -2.44 0.00 0.00 57.07 53.74 1pwp s TYR 659 Cb -0.05 -1.91 0.04 0.00 0.35 0.00 0.00 41.96 40.39 1pwp s TYR 659 CO -0.10 -0.39 0.02 0.08 -1.34 0.00 0.00 175.55 173.82 1pwp s VAL 660 N 0.75 3.27 0.12 3.14 1.01 -0.60 -4.98 120.40 123.12 1pwp s VAL 660 Ca -0.05 -1.16 -0.20 0.00 0.00 0.00 0.00 61.98 60.57 1pwp s VAL 660 Cb -0.15 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 1pwp s VAL 660 CO 0.01 -0.03 1.75 -0.65 0.00 0.00 0.00 175.10 176.18 1pwp h PRO 661 N 8.08 0.15 -0.88 2.72 0.11 -1.95 1.08 132.00 141.31 1pwp h PRO 661 Ca -0.25 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 66.00 1pwp h PRO 661 Cb 1.08 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.09 1pwp h PRO 661 CO 0.57 0.10 0.57 0.93 -0.21 0.00 0.00 178.00 179.96 1pwp h GLU 662 N 0.16 0.63 -0.00 1.05 3.07 -1.95 -1.31 114.58 116.22 1pwp h GLU 662 Ca 0.08 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1pwp h GLU 662 Cb 0.06 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 27.82 1pwp h GLU 662 CO -0.09 0.41 -0.68 -1.13 -1.40 0.00 0.00 179.01 176.12 1pwp n SER 663 N -4.56 1.16 -3.92 1.42 3.41 -1.07 -4.99 113.62 105.08 1pwp n SER 663 Ca 0.17 -1.08 -0.26 0.00 -0.26 0.00 0.00 58.87 57.45 1pwp n SER 663 Cb 0.50 0.82 -0.01 0.00 -0.26 0.00 0.00 64.21 65.26 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 -0.96 -3.85 -4.25 4.33 1.74 0.37 -3.81 116.66 110.24 1pwp n ARG 664 Ca 0.05 0.47 -0.21 0.00 -0.77 0.00 0.00 57.85 57.38 1pwp n ARG 664 Cb 0.32 -4.82 -0.12 0.00 -1.02 0.00 0.00 32.46 26.82 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 -4.18 2.10 -0.12 0.55 0.01 -0.95 -3.65 113.70 107.46 1pwp s SER 665 Ca 0.13 -0.64 -0.03 0.00 1.31 0.00 0.00 55.95 56.72 1pwp s SER 665 Cb -0.07 -0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.03 1pwp s SER 665 CO 0.87 -0.00 0.00 -0.63 0.41 0.00 0.00 173.24 173.89 1pwp s ILE 666 N -1.19 4.29 -0.07 1.44 1.01 -0.64 -1.56 121.20 124.47 1pwp s ILE 666 Ca 0.02 -0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.49 1pwp s ILE 666 Cb -0.10 -2.85 -0.00 0.00 0.01 0.00 0.00 42.46 39.52 1pwp s ILE 666 CO 0.03 0.55 -0.23 -0.76 0.00 0.00 0.00 174.94 174.53 1pwp s LEU 667 N -0.30 2.03 -0.15 2.97 1.43 0.45 -0.90 118.68 124.21 1pwp s LEU 667 Ca 0.06 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1pwp s LEU 667 Cb -0.12 -1.31 0.03 0.00 0.03 0.00 0.00 46.19 44.82 1pwp s LEU 667 CO 0.02 0.19 -0.11 -0.22 0.23 0.00 0.00 176.35 176.46 1pwp s LEU 668 N 0.12 1.70 -0.26 1.79 2.96 -0.25 -1.70 118.68 123.04 1pwp s LEU 668 Ca -0.11 -0.55 -0.20 0.00 -0.22 0.00 0.00 54.13 53.05 1pwp s LEU 668 Cb -0.15 -1.09 -0.02 0.00 0.50 0.00 0.00 46.19 45.43 1pwp s LEU 668 CO 0.06 -0.10 0.64 -2.28 -1.32 0.00 0.00 176.35 173.34 1pwp s HIS 669 N 1.53 3.28 0.00 5.38 5.65 0.29 -2.07 115.29 129.35 1pwp s HIS 669 Ca 0.03 0.82 0.00 0.00 0.25 0.00 0.00 55.06 56.16 1pwp s HIS 669 Cb -0.14 -2.86 0.00 0.00 -1.18 0.00 0.00 32.58 28.41 1pwp s HIS 669 CO -0.09 -0.34 0.60 0.41 -0.65 0.00 0.00 174.74 174.67 1pwp n GLY 670 N 4.16 -2.21 0.26 1.59 0.00 -0.51 -4.10 105.19 104.37 1pwp n GLY 670 Ca -0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 1pwp n GLY 670 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1pwp n PRO 671 N -1.12 -0.06 -2.07 1.61 -0.02 -1.26 -4.67 135.00 127.43 1pwp n PRO 671 Ca 0.00 1.12 -0.34 0.00 -2.02 0.00 0.00 63.50 62.26 1pwp n PRO 671 Cb 0.00 -1.86 0.02 0.00 -0.02 0.00 0.00 33.50 31.64 1pwp n PRO 671 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1pwp s SER 672 N -4.88 5.50 -0.28 2.55 1.04 -1.26 -1.12 113.70 115.26 1pwp s SER 672 Ca -0.09 2.10 -0.12 0.00 0.48 0.00 0.00 55.95 58.32 1pwp s SER 672 Cb 0.24 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.74 1pwp s SER 672 CO 0.60 -1.37 0.22 -0.75 0.98 0.00 0.00 173.24 172.92 1pwp s LYS 673 N -3.61 3.96 0.34 4.02 2.47 -1.26 -4.63 119.74 121.03 1pwp s LYS 673 Ca 0.70 -0.25 -0.26 0.00 -1.56 0.00 0.00 55.97 54.60 1pwp s LYS 673 Cb -0.22 -3.66 -0.09 0.00 -1.46 0.00 0.00 37.83 32.39 1pwp s LYS 673 CO 0.33 -0.20 1.01 0.20 0.16 0.00 0.00 175.35 176.85 1pwp s GLY 674 N 1.73 2.85 0.00 5.54 0.00 -1.26 -4.87 107.32 111.31 1pwp s GLY 674 Ca 0.08 0.65 -0.30 0.00 0.00 0.00 0.00 44.72 45.16 1pwp s GLY 674 CO 0.11 1.13 1.14 0.54 0.00 0.00 0.00 173.10 176.02 1pwp s VAL 675 N -1.52 4.32 -0.06 1.40 0.11 -1.26 -2.75 120.40 120.64 1pwp s VAL 675 Ca 0.51 1.66 0.00 0.00 -2.93 0.00 0.00 61.98 61.22 1pwp s VAL 675 Cb -0.22 -4.06 0.00 0.00 -1.53 0.00 0.00 36.38 30.56 1pwp s VAL 675 CO 0.28 0.08 0.00 -0.62 -3.33 0.00 0.00 175.10 171.52 1pwp n GLU 676 N 4.38 -0.17 -5.00 1.54 -0.58 -1.26 -5.00 120.64 114.55 1pwp n GLU 676 Ca 0.09 0.21 -0.29 0.00 -0.42 0.00 0.00 57.16 56.74 1pwp n GLU 676 Cb 0.47 -3.48 -0.15 0.00 -0.57 0.00 0.00 31.44 27.71 1pwp n GLU 676 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1pwp s LEU 677 N -0.14 2.12 0.00 -4.62 1.43 -1.11 -5.01 118.68 111.35 1pwp s LEU 677 Ca 0.00 -0.52 0.16 0.00 -1.03 0.00 0.00 54.13 52.74 1pwp s LEU 677 Cb 0.00 -1.23 -0.11 0.00 0.03 0.00 0.00 46.19 44.88 1pwp s LEU 677 CO 0.00 0.26 0.75 -2.11 0.23 0.00 0.00 176.35 175.49 1pwp n ARG 678 N 2.07 1.73 -3.50 1.70 1.85 -1.26 -4.71 116.66 114.54 1pwp n ARG 678 Ca -0.16 -0.33 -0.09 0.00 -1.00 0.00 0.00 57.85 56.27 1pwp n ARG 678 Cb 0.52 -1.26 -0.02 0.00 -1.05 0.00 0.00 32.46 30.64 1pwp n ARG 678 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1pwp s ASN 679 N -2.28 -0.42 0.53 2.89 4.22 -1.26 -5.03 114.94 113.59 1pwp s ASN 679 Ca 0.09 -0.03 0.18 0.00 -2.14 0.00 0.00 52.86 50.95 1pwp s ASN 679 Cb 0.13 0.47 1.34 0.00 1.28 0.00 0.00 41.25 44.46 1pwp s ASN 679 CO 0.56 -0.76 2.16 0.44 -2.04 0.00 0.00 177.10 177.46 1pwp h ASP 680 N 2.00 0.00 -0.45 3.54 3.45 -1.97 -2.63 116.42 120.36 1pwp h ASP 680 Ca -0.26 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.20 1pwp h ASP 680 Cb 1.26 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 40.01 1pwp h ASP 680 CO 0.33 0.00 0.30 0.28 -1.57 0.00 0.00 179.24 178.57 1pwp h SER 681 N 0.00 0.52 -0.84 6.45 0.02 -1.96 -1.25 113.55 116.50 1pwp h SER 681 Ca 0.00 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1pwp h SER 681 Cb 0.02 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.38 1pwp h SER 681 CO -0.00 0.39 0.55 -0.33 -1.14 0.00 0.00 176.83 176.30 1pwp h GLU 682 N 0.61 0.97 -0.55 3.45 5.08 -1.88 -0.93 114.58 121.32 1pwp h GLU 682 Ca 0.17 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1pwp h GLU 682 Cb -0.06 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 1pwp h GLU 682 CO -0.03 0.64 0.05 0.78 -1.00 0.00 0.00 179.01 179.45 1pwp h GLY 683 N 1.00 0.98 0.91 -3.84 0.00 -1.30 -1.94 103.07 98.88 1pwp h GLY 683 Ca 0.34 -0.65 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 1pwp h GLY 683 CO -0.11 0.60 -0.23 -2.75 0.00 0.00 0.00 176.54 174.05 1pwp h PHE 684 N 0.85 0.73 -0.78 5.60 3.57 -0.40 -3.02 116.94 123.50 1pwp h PHE 684 Ca 0.17 -0.21 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 1pwp h PHE 684 Cb 0.44 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 1pwp h PHE 684 CO 0.03 0.92 0.47 0.82 -2.23 0.00 0.00 178.31 178.31 1pwp h ILE 685 N 0.34 1.22 -0.66 1.41 2.04 -1.09 -0.41 117.51 120.34 1pwp h ILE 685 Ca 0.04 -0.48 0.09 0.00 1.00 0.00 0.00 64.86 65.52 1pwp h ILE 685 Cb 0.78 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 1pwp h ILE 685 CO 0.06 0.23 0.30 -0.74 0.00 0.00 0.00 178.15 178.00 1pwp h HIS 686 N 1.06 0.54 -0.57 1.37 2.76 -1.35 -0.94 115.15 118.02 1pwp h HIS 686 Ca 0.28 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.39 1pwp h HIS 686 Cb -0.04 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.76 1pwp h HIS 686 CO -0.01 0.18 0.02 0.93 -1.30 0.00 0.00 177.93 177.76 1pwp h GLU 687 N 0.52 0.98 -0.82 5.26 4.39 -1.22 -2.03 114.58 121.67 1pwp h GLU 687 Ca 0.33 -0.30 0.10 0.00 0.34 0.00 0.00 59.36 59.83 1pwp h GLU 687 Cb 0.37 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.86 1pwp h GLU 687 CO -0.28 0.97 0.53 0.35 -1.16 0.00 0.00 179.01 179.43 1pwp h PHE 688 N 0.87 0.80 -0.68 4.33 3.57 0.15 0.12 116.94 126.11 1pwp h PHE 688 Ca 0.16 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.77 1pwp h PHE 688 Cb 0.51 -0.26 -0.07 0.00 2.79 0.00 0.00 35.95 38.92 1pwp h PHE 688 CO 0.04 0.36 0.33 0.78 -2.23 0.00 0.00 178.31 177.59 1pwp h GLY 689 N 0.74 1.00 2.00 2.40 0.00 -0.48 0.34 103.07 109.07 1pwp h GLY 689 Ca 0.38 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 1pwp h GLY 689 CO -0.15 0.05 -0.01 0.45 0.00 0.00 0.00 176.54 176.88 1pwp h HIS 690 N 0.57 0.00 0.14 5.60 3.86 -0.66 -0.53 115.15 124.14 1pwp h HIS 690 Ca 0.33 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 59.23 1pwp h HIS 690 Cb 0.34 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1pwp h HIS 690 CO -0.12 0.01 -1.51 0.00 0.86 0.00 0.00 177.93 177.17 1pwp h ALA 691 N 1.99 0.19 -0.33 2.45 0.00 -0.05 -2.80 119.26 120.71 1pwp h ALA 691 Ca -0.00 -1.06 -0.02 0.00 0.00 0.00 0.00 54.91 53.83 1pwp h ALA 691 Cb 0.12 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1pwp h ALA 691 CO 0.00 1.06 0.12 0.28 0.00 0.00 0.00 179.25 180.71 1pwp h VAL 692 N 0.08 1.19 -0.68 0.00 2.07 -0.26 0.20 116.25 118.86 1pwp h VAL 692 Ca -0.24 -0.61 0.09 0.00 0.82 0.00 0.00 66.70 66.76 1pwp h VAL 692 Cb 2.04 0.98 -0.07 0.00 -1.52 0.00 0.00 31.29 32.72 1pwp h VAL 692 CO 0.18 0.21 0.32 -0.78 0.02 0.00 0.00 177.57 177.52 1pwp h ASP 693 N 0.38 0.40 0.81 0.57 -0.00 -1.22 0.34 116.42 117.69 1pwp h ASP 693 Ca 0.11 0.06 -0.10 0.00 -0.00 0.00 0.00 57.03 57.10 1pwp h ASP 693 Cb 0.22 -0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.53 1pwp h ASP 693 CO -0.01 0.23 -0.47 -0.78 -0.00 0.00 0.00 179.24 178.21 1pwp h ASP 694 N 0.55 0.00 0.13 2.28 3.58 -1.13 -2.75 116.42 119.08 1pwp h ASP 694 Ca 0.33 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.57 1pwp h ASP 694 Cb 0.36 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.42 1pwp h ASP 694 CO -0.27 0.47 -1.01 0.22 -2.88 0.00 0.00 179.24 175.77 1pwp h TYR 695 N 0.00 0.48 -0.90 0.28 3.20 0.02 -2.96 116.97 117.09 1pwp h TYR 695 Ca -0.00 -0.35 0.02 0.00 3.14 0.00 0.00 58.73 61.53 1pwp h TYR 695 Cb 1.00 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 39.21 1pwp h TYR 695 CO 0.00 1.39 0.60 0.00 -1.64 0.00 0.00 178.16 178.51 1pwp h ALA 696 N 0.02 1.16 -0.93 1.82 0.00 -1.06 -0.79 119.26 119.48 1pwp h ALA 696 Ca -0.20 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1pwp h ALA 696 Cb 1.66 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 1pwp h ALA 696 CO 0.11 0.52 0.62 0.78 0.00 0.00 0.00 179.25 181.28 1pwp h GLY 697 N 1.21 1.32 2.00 0.00 0.00 -1.58 -2.20 103.07 103.81 1pwp h GLY 697 Ca 0.34 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 1pwp h GLY 697 CO -0.08 0.47 -0.49 -1.82 0.00 0.00 0.00 176.54 174.61 1pwp h TYR 698 N 1.25 0.00 0.00 5.60 5.03 -1.17 -2.87 116.97 124.81 1pwp h TYR 698 Ca 0.35 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.66 1pwp h TYR 698 Cb -0.13 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.15 1pwp h TYR 698 CO -0.01 0.49 0.00 1.28 -1.32 0.00 0.00 178.16 178.61 1pwp n LEU 699 N -3.56 0.61 -0.03 2.82 4.77 -0.38 -1.72 117.00 119.51 1pwp n LEU 699 Ca -0.00 0.61 -0.14 0.00 -0.03 0.00 0.00 56.01 56.45 1pwp n LEU 699 Cb 0.59 -0.49 -0.09 0.00 -2.33 0.00 0.00 43.42 41.10 1pwp n LEU 699 CO 0.39 -0.39 0.55 -0.07 -1.33 0.00 0.00 177.39 176.54 1pwp h LEU 700 N 0.00 0.21 -5.95 2.23 3.38 -1.26 -3.43 115.31 110.49 1pwp h LEU 700 Ca 0.00 -0.58 -0.03 0.00 0.09 0.00 0.00 57.88 57.35 1pwp h LEU 700 Cb 0.47 -0.06 -0.19 0.00 0.09 0.00 0.00 40.66 40.97 1pwp h LEU 700 CO 0.00 0.75 -0.41 1.51 0.09 0.00 0.00 178.44 180.38 1pwp s ASP 701 N -6.05 -1.46 0.49 -0.43 -4.77 -1.18 -5.04 116.67 98.24 1pwp s ASP 701 Ca -0.15 -0.60 0.32 0.00 -3.30 0.00 0.00 52.55 48.82 1pwp s ASP 701 Cb 0.03 1.87 1.44 0.00 -1.09 0.00 0.00 42.92 45.16 1pwp s ASP 701 CO 0.72 -0.18 1.75 0.11 0.70 0.00 0.00 175.17 178.28 1pwp h LYS 702 N 7.02 0.11 -0.05 2.11 1.57 -1.61 -0.16 116.57 125.56 1pwp h LYS 702 Ca 0.03 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1pwp h LYS 702 Cb 1.18 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1pwp h LYS 702 CO 0.09 0.07 -0.20 -0.91 -0.57 0.00 0.00 179.45 177.93 1pwp h ASN 703 N 0.11 0.07 -2.53 0.86 2.35 -1.96 -3.31 115.58 111.17 1pwp h ASN 703 Ca 0.64 -0.01 -0.60 0.00 -0.55 0.00 0.00 56.30 55.78 1pwp h ASN 703 Cb 2.25 -0.02 -0.40 0.00 0.05 0.00 0.00 38.32 40.20 1pwp h ASN 703 CO -0.13 0.28 -0.79 1.67 -1.65 0.00 0.00 177.43 176.80 1pwp n GLN 704 N -4.27 1.22 -1.98 0.81 0.00 -0.08 -5.10 117.38 107.99 1pwp n GLN 704 Ca -0.02 -3.88 -0.42 0.00 -0.00 0.00 0.00 57.00 52.68 1pwp n GLN 704 Cb 0.28 -1.91 -0.03 0.00 0.00 0.00 0.00 30.24 28.58 1pwp n GLN 704 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1pwp s SER 705 N -1.08 6.65 0.23 1.69 0.15 -1.23 -4.75 113.70 115.35 1pwp s SER 705 Ca 0.32 2.41 -0.01 0.00 0.70 0.00 0.00 55.95 59.36 1pwp s SER 705 Cb 0.05 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.77 1pwp s SER 705 CO -0.14 -0.86 0.20 -0.62 1.20 0.00 0.00 173.24 173.01 1pwp s ASP 706 N 2.41 0.34 0.05 5.45 -1.08 -1.26 -4.99 116.67 117.59 1pwp s ASP 706 Ca 0.72 -1.38 -0.24 0.00 -0.52 0.00 0.00 52.55 51.13 1pwp s ASP 706 Cb -0.38 0.44 -0.06 0.00 -1.46 0.00 0.00 42.92 41.46 1pwp s ASP 706 CO 0.31 -0.92 0.74 -0.76 0.52 0.00 0.00 175.17 175.07 1pwp s LEU 707 N -3.17 4.46 0.46 -1.34 1.43 -1.26 -3.78 118.68 115.48 1pwp s LEU 707 Ca 0.37 1.43 0.31 0.00 -1.03 0.00 0.00 54.13 55.22 1pwp s LEU 707 Cb 0.05 -3.20 1.64 0.00 0.03 0.00 0.00 46.19 44.71 1pwp s LEU 707 CO 0.14 0.05 1.96 1.62 0.23 0.00 0.00 176.35 180.35 1pwp h VAL 708 N 4.03 0.00 -0.00 -1.59 3.04 -1.86 -0.32 116.25 119.55 1pwp h VAL 708 Ca -0.44 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1pwp h VAL 708 Cb 1.20 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 1pwp h VAL 708 CO 0.70 0.00 -0.02 0.35 -1.01 0.00 0.00 177.57 177.59 1pwp n THR 709 N -2.62 0.00 0.79 3.17 -2.24 -1.26 -2.74 114.28 109.38 1pwp n THR 709 Ca -0.02 -0.06 0.11 0.00 -2.27 0.00 0.00 64.05 61.82 1pwp n THR 709 Cb 0.09 -0.25 0.11 0.00 -2.10 0.00 0.00 70.33 68.17 1pwp n THR 709 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1pwp n ASN 710 N -0.81 0.63 -4.61 3.42 3.02 -0.13 -4.40 115.26 112.38 1pwp n ASN 710 Ca 0.21 -0.29 -0.37 0.00 -0.03 0.00 0.00 54.58 54.09 1pwp n ASN 710 Cb 0.19 0.54 0.07 0.00 -0.61 0.00 0.00 39.78 39.97 1pwp n ASN 710 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1pwp n SER 711 N -1.74 0.60 -0.13 6.41 3.41 -1.11 -4.79 113.62 116.27 1pwp n SER 711 Ca 0.04 0.74 -0.08 0.00 -0.26 0.00 0.00 58.87 59.30 1pwp n SER 711 Cb 0.38 -1.39 -0.00 0.00 -0.26 0.00 0.00 64.21 62.94 1pwp n SER 711 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1pwp h LYS 712 N 0.16 0.54 -0.59 4.33 6.56 -1.91 -1.88 116.57 123.78 1pwp h LYS 712 Ca -0.48 -0.06 0.09 0.00 -1.06 0.00 0.00 60.65 59.14 1pwp h LYS 712 Cb 1.35 -0.11 -0.07 0.00 -0.57 0.00 0.00 32.23 32.83 1pwp h LYS 712 CO 0.49 0.43 0.20 -0.22 -2.06 0.00 0.00 179.45 178.29 1pwp h LYS 713 N 0.51 0.36 -0.06 3.15 3.64 -1.95 -2.91 116.57 119.32 1pwp h LYS 713 Ca 0.14 -0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 59.27 1pwp h LYS 713 Cb 0.03 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1pwp h LYS 713 CO -0.02 0.24 -0.89 0.35 -2.27 0.00 0.00 179.45 176.85 1pwp h PHE 714 N 0.37 0.85 -0.34 1.91 3.57 -1.81 -2.67 116.94 118.83 1pwp h PHE 714 Ca 0.30 -0.43 0.10 0.00 3.53 0.00 0.00 57.97 61.47 1pwp h PHE 714 Cb 0.37 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1pwp h PHE 714 CO -0.18 1.24 0.30 0.82 -2.23 0.00 0.00 178.31 178.26 1pwp h ILE 715 N 0.37 0.59 0.04 1.41 2.04 -1.16 0.35 117.51 121.16 1pwp h ILE 715 Ca -0.08 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1pwp h ILE 715 Cb 1.52 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1pwp h ILE 715 CO 0.17 0.00 -0.02 0.44 0.00 0.00 0.00 178.15 178.74 1pwp h ASP 716 N 0.00 -0.05 -0.62 1.72 3.45 -1.42 -2.62 116.42 116.88 1pwp h ASP 716 Ca 0.16 -0.53 0.13 0.00 0.43 0.00 0.00 57.03 57.22 1pwp h ASP 716 Cb 0.76 0.01 -0.11 0.00 -0.56 0.00 0.00 39.33 39.44 1pwp h ASP 716 CO -0.00 0.68 -0.02 0.40 -1.57 0.00 0.00 179.24 178.73 1pwp h ILE 717 N -0.95 0.48 -0.28 0.35 1.08 -0.87 0.71 117.51 118.03 1pwp h ILE 717 Ca -0.01 -0.03 0.05 0.00 -0.39 0.00 0.00 64.86 64.48 1pwp h ILE 717 Cb 0.58 0.37 -0.05 0.00 -3.07 0.00 0.00 36.82 34.65 1pwp h ILE 717 CO 0.01 0.02 -0.02 0.15 -0.69 0.00 0.00 178.15 177.61 1pwp h PHE 718 N 0.10 -0.06 -0.37 1.37 -0.00 -0.45 -0.42 116.94 117.11 1pwp h PHE 718 Ca 0.32 0.02 0.10 0.00 -0.00 0.00 0.00 57.97 58.42 1pwp h PHE 718 Cb 0.52 0.07 -0.02 0.00 -0.00 0.00 0.00 35.95 36.52 1pwp h PHE 718 CO -0.38 -0.07 0.26 0.87 -0.00 0.00 0.00 178.31 178.99 1pwp h LYS 719 N 0.05 0.02 0.00 1.11 1.57 -0.49 0.99 116.57 119.82 1pwp h LYS 719 Ca 0.13 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 1pwp h LYS 719 Cb 0.19 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1pwp h LYS 719 CO -0.25 0.01 -0.62 1.49 -0.57 0.00 0.00 179.45 179.52 1pwp h GLU 720 N 0.02 0.00 -0.01 3.15 4.81 -0.39 -3.39 114.58 118.76 1pwp h GLU 720 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1pwp h GLU 720 Cb 0.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1pwp h GLU 720 CO -0.01 0.70 -0.37 0.39 -0.73 0.00 0.00 179.01 178.99 1pwp n GLU 721 N -4.56 1.22 -0.05 1.92 1.02 -0.28 -4.74 120.64 115.17 1pwp n GLU 721 Ca -0.17 -0.94 -0.00 0.00 -0.02 0.00 0.00 57.16 56.02 1pwp n GLU 721 Cb 0.47 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 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 1.39 -0.26 2.48 0.62 0.00 0.34 0.20 105.19 109.95 1pwp n GLY 722 Ca 0.11 0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 1pwp n GLY 722 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pwp n SER 723 N -4.17 6.17 -0.30 1.61 3.41 -1.26 -4.17 113.62 114.91 1pwp n SER 723 Ca 0.01 -3.77 0.08 0.00 -0.26 0.00 0.00 58.87 54.92 1pwp n SER 723 Cb 0.04 -0.71 -0.02 0.00 -0.26 0.00 0.00 64.21 63.26 1pwp n SER 723 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1pwp n ASN 724 N -0.63 1.48 0.00 4.04 4.13 0.13 -4.93 115.26 119.47 1pwp n ASN 724 Ca 0.49 -1.24 0.00 0.00 1.68 0.00 0.00 54.58 55.51 1pwp n ASN 724 Cb 0.60 0.56 0.00 0.00 -1.54 0.00 0.00 39.78 39.40 1pwp n ASN 724 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1pwp n LEU 725 N -0.33 0.00 -4.93 3.41 4.77 -1.26 -4.82 117.00 113.84 1pwp n LEU 725 Ca 0.06 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.83 1pwp n LEU 725 Cb 0.32 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 1pwp n LEU 725 CO 0.22 0.00 -0.07 0.42 -1.33 0.00 0.00 177.39 176.63 1pwp s THR 726 N 1.91 4.87 0.06 -5.08 -4.23 -1.26 -5.02 115.64 106.89 1pwp s THR 726 Ca 0.00 -1.12 -0.23 0.00 -1.18 0.00 0.00 61.69 59.17 1pwp s THR 726 Cb 0.00 -3.67 -0.15 0.00 1.34 0.00 0.00 72.50 70.02 1pwp s THR 726 CO 0.00 -0.31 1.55 0.28 -0.54 0.00 0.00 174.62 175.60 1pwp h SER 727 N 1.23 0.10 -0.63 3.99 0.02 -1.97 -2.05 113.55 114.25 1pwp h SER 727 Ca -0.50 -0.21 0.17 0.00 -0.84 0.00 0.00 61.79 60.40 1pwp h SER 727 Cb 1.24 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.72 1pwp h SER 727 CO 0.60 0.29 0.45 0.22 -1.14 0.00 0.00 176.83 177.24 1pwp h TYR 728 N -0.09 0.11 -0.03 3.45 3.20 -1.95 0.41 116.97 122.07 1pwp h TYR 728 Ca 0.02 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 1pwp h TYR 728 Cb 0.22 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1pwp h TYR 728 CO -0.00 0.04 -0.39 0.78 -1.64 0.00 0.00 178.16 176.95 1pwp h GLY 729 N 0.09 0.07 0.63 1.82 0.00 -1.64 -2.88 103.07 101.16 1pwp h GLY 729 Ca 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1pwp h GLY 729 CO -0.03 0.05 0.00 -2.13 0.00 0.00 0.00 176.54 174.44 1pwp n ARG 730 N -4.07 0.58 0.29 4.80 3.00 0.13 -2.87 116.66 118.52 1pwp n ARG 730 Ca -0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.67 1pwp n ARG 730 Cb 0.43 -1.32 -0.08 0.00 0.00 0.00 0.00 32.46 31.49 1pwp n ARG 730 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1pwp h THR 731 N 0.00 0.50 -2.43 5.15 2.02 -1.62 -3.48 112.91 113.05 1pwp h THR 731 Ca 0.00 -0.01 0.17 0.00 0.77 0.00 0.00 66.41 67.35 1pwp h THR 731 Cb 0.00 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 1pwp h THR 731 CO 0.00 0.00 0.56 0.54 0.37 0.00 0.00 175.52 176.99 1pwp s ASN 732 N -4.59 -0.06 0.17 4.18 2.20 -1.24 -5.03 114.94 110.58 1pwp s ASN 732 Ca -0.16 -0.57 -0.14 0.00 -0.94 0.00 0.00 52.86 51.04 1pwp s ASN 732 Cb 0.04 0.49 0.13 0.00 -2.00 0.00 0.00 41.25 39.90 1pwp s ASN 732 CO 0.63 -0.95 1.75 1.05 -2.94 0.00 0.00 177.10 176.64 1pwp h GLU 733 N 2.00 0.32 -0.16 3.55 9.09 -1.91 -0.10 114.58 127.37 1pwp h GLU 733 Ca -0.27 -0.02 0.04 0.00 0.05 0.00 0.00 59.36 59.17 1pwp h GLU 733 Cb 1.22 -0.07 -0.05 0.00 -1.65 0.00 0.00 28.75 28.20 1pwp h GLU 733 CO 0.32 0.21 -0.14 0.00 0.05 0.00 0.00 179.01 179.45 1pwp h ALA 734 N 1.29 -0.04 -0.12 1.06 0.00 -1.94 0.19 119.26 119.71 1pwp h ALA 734 Ca 0.21 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1pwp h ALA 734 Cb 0.20 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1pwp h ALA 734 CO -0.21 -0.59 -0.28 0.93 0.00 0.00 0.00 179.25 179.10 1pwp h GLU 735 N -0.16 0.23 -0.27 0.00 4.39 -1.77 -2.28 114.58 114.72 1pwp h GLU 735 Ca 0.10 -0.08 -0.13 0.00 0.34 0.00 0.00 59.36 59.59 1pwp h GLU 735 Cb 0.31 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1pwp h GLU 735 CO -0.25 0.50 -0.33 0.35 -1.16 0.00 0.00 179.01 178.12 1pwp h PHE 736 N 0.20 0.85 -0.62 4.33 3.57 -0.37 -0.61 116.94 124.30 1pwp h PHE 736 Ca 0.03 -0.27 0.04 0.00 3.53 0.00 0.00 57.97 61.30 1pwp h PHE 736 Cb 0.61 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 1pwp h PHE 736 CO 0.01 1.03 0.36 0.35 -2.23 0.00 0.00 178.31 177.83 1pwp h PHE 737 N 0.44 0.68 -0.24 0.41 3.57 -0.39 0.36 116.94 121.77 1pwp h PHE 737 Ca 0.04 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.45 1pwp h PHE 737 Cb 0.91 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 1pwp h PHE 737 CO 0.08 0.36 -0.28 0.00 -2.23 0.00 0.00 178.31 176.24 1pwp h ALA 738 N 1.29 0.36 -0.80 2.41 0.00 -1.32 -0.16 119.26 121.04 1pwp h ALA 738 Ca 0.26 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1pwp h ALA 738 Cb 0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1pwp h ALA 738 CO -0.13 0.37 0.40 0.93 0.00 0.00 0.00 179.25 180.82 1pwp h GLU 739 N 0.33 1.14 -0.26 0.00 4.39 -0.86 0.92 114.58 120.24 1pwp h GLU 739 Ca 0.03 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 1pwp h GLU 739 Cb 0.85 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1pwp h GLU 739 CO 0.07 0.87 0.03 0.00 -1.16 0.00 0.00 179.01 178.82 1pwp h ALA 740 N 1.21 0.35 -0.53 3.43 0.00 -0.83 -1.64 119.26 121.24 1pwp h ALA 740 Ca 0.28 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1pwp h ALA 740 Cb 0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1pwp h ALA 740 CO -0.04 0.05 0.29 0.35 0.00 0.00 0.00 179.25 179.90 1pwp h PHE 741 N 0.24 0.54 -0.14 0.00 3.57 -0.69 -0.28 116.94 120.18 1pwp h PHE 741 Ca 0.08 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1pwp h PHE 741 Cb 0.36 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1pwp h PHE 741 CO 0.03 0.28 0.06 -0.09 -2.23 0.00 0.00 178.31 176.35 1pwp h ARG 742 N 0.56 0.13 -0.25 1.11 1.12 -0.58 -1.76 114.38 114.72 1pwp h ARG 742 Ca 0.23 -0.01 -0.11 0.00 -1.11 0.00 0.00 59.98 58.99 1pwp h ARG 742 Cb 0.10 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.02 1pwp h ARG 742 CO -0.14 0.09 -0.29 -0.07 -3.11 0.00 0.00 179.97 176.45 1pwp h LEU 743 N 0.14 0.51 -1.68 3.80 3.38 -1.10 -2.09 115.31 118.26 1pwp h LEU 743 Ca 0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1pwp h LEU 743 Cb 0.02 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1pwp h LEU 743 CO -0.05 0.78 -0.12 0.24 0.09 0.00 0.00 178.44 179.38 1pwp h MET 744 N 0.43 0.00 -0.53 1.13 2.86 -0.75 -2.71 114.93 115.37 1pwp h MET 744 Ca 0.06 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.32 1pwp h MET 744 Cb 0.73 0.00 -0.26 0.00 0.06 0.00 0.00 31.60 32.13 1pwp h MET 744 CO 0.06 0.12 -0.45 0.72 1.06 0.00 0.00 176.91 178.41 1pwp n HIS 745 N -3.41 1.88 -1.82 -0.22 8.25 -0.69 -4.85 115.22 114.35 1pwp n HIS 745 Ca -0.01 -2.03 -0.30 0.00 -0.26 0.00 0.00 57.72 55.12 1pwp n HIS 745 Cb 0.29 -0.46 0.06 0.00 1.12 0.00 0.00 29.99 31.00 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 -3.16 5.24 0.14 0.41 0.15 -0.84 -4.86 113.70 110.78 1pwp s SER 746 Ca 0.48 1.15 0.15 0.00 0.70 0.00 0.00 55.95 58.43 1pwp s SER 746 Cb 0.41 -1.92 -0.08 0.00 -1.71 0.00 0.00 66.02 62.72 1pwp s SER 746 CO 0.00 -1.48 1.07 0.74 1.20 0.00 0.00 173.24 174.77 1pwp h THR 747 N -0.75 0.72 -3.24 6.45 2.02 -1.90 -3.41 112.91 112.79 1pwp h THR 747 Ca -0.45 -2.19 -0.65 0.00 0.77 0.00 0.00 66.41 63.88 1pwp h THR 747 Cb 1.26 2.23 -0.16 0.00 -1.74 0.00 0.00 68.15 69.75 1pwp h THR 747 CO 0.63 0.41 0.26 -0.62 0.37 0.00 0.00 175.52 176.57 1pwp s ASP 748 N -6.09 6.27 0.56 4.18 -1.08 -1.26 -4.92 116.67 114.33 1pwp s ASP 748 Ca -0.00 -0.68 0.25 0.00 -0.52 0.00 0.00 52.55 51.60 1pwp s ASP 748 Cb 0.08 -2.35 1.53 0.00 -1.46 0.00 0.00 42.92 40.72 1pwp s ASP 748 CO 0.79 -1.02 2.10 0.45 0.52 0.00 0.00 175.17 178.00 1pwp h HIS 749 N 9.12 0.00 -0.54 -5.34 3.86 -1.96 -1.97 115.15 118.32 1pwp h HIS 749 Ca -0.27 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.00 1pwp h HIS 749 Cb 1.09 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.50 1pwp h HIS 749 CO 0.82 0.00 0.24 0.00 0.86 0.00 0.00 177.93 179.85 1pwp h ALA 750 N 1.83 0.69 -0.09 2.45 0.00 -1.97 -1.03 119.26 121.15 1pwp h ALA 750 Ca 0.10 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1pwp h ALA 750 Cb 0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1pwp h ALA 750 CO -0.00 -0.14 0.07 0.93 0.00 0.00 0.00 179.25 180.11 1pwp h GLU 751 N 0.46 0.00 0.14 0.00 4.39 -1.67 -2.04 114.58 115.85 1pwp h GLU 751 Ca 0.25 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 1pwp h GLU 751 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1pwp h GLU 751 CO -0.22 0.00 -0.07 0.00 -1.16 0.00 0.00 179.01 177.57 1pwp h ARG 752 N 0.00 -0.18 -0.90 2.33 3.08 -1.23 -3.17 114.38 114.32 1pwp h ARG 752 Ca 0.04 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.24 1pwp h ARG 752 Cb 0.17 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 1pwp h ARG 752 CO -0.00 0.25 0.58 -0.07 -1.07 0.00 0.00 179.97 179.66 1pwp h LEU 753 N -0.70 0.68 -1.81 3.04 3.38 -1.05 0.23 115.31 119.09 1pwp h LEU 753 Ca -0.02 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1pwp h LEU 753 Cb 0.51 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1pwp h LEU 753 CO 0.03 0.35 0.22 0.50 0.09 0.00 0.00 178.44 179.64 1pwp h LYS 754 N 0.73 0.23 0.01 1.13 3.64 -1.36 -1.82 116.57 119.14 1pwp h LYS 754 Ca 0.45 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.77 1pwp h LYS 754 Cb 0.68 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1pwp h LYS 754 CO -0.21 0.16 -0.17 0.28 -2.27 0.00 0.00 179.45 177.24 1pwp h VAL 755 N 0.24 1.61 0.00 2.00 2.07 -0.94 -2.64 116.25 118.60 1pwp h VAL 755 Ca 0.14 -2.02 -0.00 0.00 0.82 0.00 0.00 66.70 65.64 1pwp h VAL 755 Cb 0.27 2.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1pwp h VAL 755 CO -0.03 0.54 -0.02 -0.61 0.02 0.00 0.00 177.57 177.48 1pwp h GLN 756 N -0.66 0.00 -0.39 1.57 4.15 -1.28 0.53 115.11 119.02 1pwp h GLN 756 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1pwp h GLN 756 Cb 0.98 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.67 1pwp h GLN 756 CO 0.03 0.02 0.00 0.36 -1.93 0.00 0.00 178.83 177.31 1pwp n LYS 757 N -4.29 3.47 0.00 1.69 2.85 -0.71 -3.83 118.16 117.33 1pwp n LYS 757 Ca -0.03 -2.83 0.00 0.00 -1.05 0.00 0.00 58.31 54.40 1pwp n LYS 757 Cb 0.10 -1.88 0.00 0.00 -0.65 0.00 0.00 35.03 32.61 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 0.08 0.00 -2.78 -5.58 3.02 -0.82 -4.91 115.26 104.27 1pwp n ASN 758 Ca 0.22 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.67 1pwp n ASN 758 Cb 0.90 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 40.12 1pwp n ASN 758 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pwp n ALA 759 N 0.00 2.09 -0.25 5.41 0.00 0.18 -4.81 120.51 123.14 1pwp n ALA 759 Ca 0.00 -2.53 0.04 0.00 0.00 0.00 0.00 53.44 50.95 1pwp n ALA 759 Cb 0.00 -0.98 0.14 0.00 0.00 0.00 0.00 19.45 18.61 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 2.75 0.08 -0.19 0.00 0.11 -1.66 -0.17 132.00 132.91 1pwp h PRO 760 Ca -0.11 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.02 1pwp h PRO 760 Cb 1.16 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1pwp h PRO 760 CO 0.31 0.05 0.05 0.87 -0.21 0.00 0.00 178.00 179.07 1pwp h LYS 761 N 0.08 0.13 0.84 1.05 1.79 -1.92 -2.51 116.57 116.02 1pwp h LYS 761 Ca 0.39 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.81 1pwp h LYS 761 Cb 0.66 -0.03 0.01 0.00 -1.58 0.00 0.00 32.23 31.29 1pwp h LYS 761 CO -0.67 0.08 -0.40 1.15 -1.08 0.00 0.00 179.45 178.53 1pwp h THR 762 N 0.13 0.13 -1.00 -0.16 2.02 -1.66 0.02 112.91 112.39 1pwp h THR 762 Ca 0.09 -0.07 0.38 0.00 0.77 0.00 0.00 66.41 67.57 1pwp h THR 762 Cb 0.07 0.14 -0.17 0.00 -1.74 0.00 0.00 68.15 66.46 1pwp h THR 762 CO -0.10 0.00 0.55 0.15 0.37 0.00 0.00 175.52 176.49 1pwp h PHE 763 N -1.19 0.86 0.07 3.16 3.57 -1.04 0.77 116.94 123.15 1pwp h PHE 763 Ca -0.12 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.31 1pwp h PHE 763 Cb 0.87 -0.21 0.01 0.00 2.79 0.00 0.00 35.95 39.42 1pwp h PHE 763 CO -0.01 -0.35 -0.49 0.37 -2.23 0.00 0.00 178.31 175.60 1pwp h GLN 764 N 0.14 0.21 -0.68 1.11 -0.00 -1.23 -2.34 115.11 112.32 1pwp h GLN 764 Ca 0.80 -0.32 0.11 0.00 -0.00 0.00 0.00 58.65 59.23 1pwp h GLN 764 Cb 1.99 0.11 -0.08 0.00 0.00 0.00 0.00 27.48 29.51 1pwp h GLN 764 CO -0.70 1.12 0.29 0.35 0.00 0.00 0.00 178.83 179.88 1pwp h PHE 765 N -0.54 0.50 -0.08 3.99 3.57 0.10 0.66 116.94 125.15 1pwp h PHE 765 Ca -0.08 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1pwp h PHE 765 Cb 1.34 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 1pwp h PHE 765 CO 0.21 0.13 0.01 0.82 -2.23 0.00 0.00 178.31 177.25 1pwp h ILE 766 N 0.48 1.22 0.00 1.41 2.04 -1.04 -1.77 117.51 119.84 1pwp h ILE 766 Ca 0.35 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1pwp h ILE 766 Cb 0.44 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1pwp h ILE 766 CO -0.32 0.19 -0.03 0.78 0.00 0.00 0.00 178.15 178.77 1pwp h ASN 767 N -0.11 0.00 -0.08 1.72 4.21 -0.87 -1.10 115.58 119.35 1pwp h ASN 767 Ca 0.02 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.41 1pwp h ASN 767 Cb 0.29 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.50 1pwp h ASN 767 CO 0.00 0.03 -0.44 0.44 -1.29 0.00 0.00 177.43 176.18 1pwp h ASP 768 N 0.00 0.52 -0.71 5.81 3.32 -0.44 -2.69 116.42 122.23 1pwp h ASP 768 Ca -0.00 -0.66 -0.01 0.00 0.02 0.00 0.00 57.03 56.38 1pwp h ASP 768 Cb 0.13 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1pwp h ASP 768 CO 0.00 1.10 0.40 1.56 -1.72 0.00 0.00 179.24 180.58 1pwp h GLN 769 N -0.02 1.00 -0.61 3.56 1.08 -0.38 -0.38 115.11 119.36 1pwp h GLN 769 Ca -0.03 -0.11 -0.07 0.00 -1.45 0.00 0.00 58.65 56.99 1pwp h GLN 769 Cb 1.09 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 28.30 1pwp h GLN 769 CO 0.09 0.73 0.12 0.82 -0.95 0.00 0.00 178.83 179.64 1pwp h ILE 770 N 1.01 1.26 -0.06 2.54 2.04 -1.27 -2.23 117.51 120.80 1pwp h ILE 770 Ca 0.26 -0.97 -0.13 0.00 1.00 0.00 0.00 64.86 65.02 1pwp h ILE 770 Cb 0.02 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1pwp h ILE 770 CO -0.04 0.36 -0.54 0.11 0.00 0.00 0.00 178.15 178.04 1pwp h LYS 771 N 0.91 0.16 -0.74 2.37 1.57 -1.09 -0.38 116.57 119.38 1pwp h LYS 771 Ca 0.19 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1pwp h LYS 771 Cb 0.40 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 1pwp h LYS 771 CO 0.01 0.66 0.49 0.35 -0.57 0.00 0.00 179.45 180.39 1pwp h PHE 772 N 0.12 0.93 0.01 -1.35 3.57 -0.70 -1.11 116.94 118.43 1pwp h PHE 772 Ca 0.00 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.36 1pwp h PHE 772 Cb 0.99 -0.32 0.01 0.00 2.79 0.00 0.00 35.95 39.43 1pwp h PHE 772 CO 0.01 0.59 -0.63 0.82 -2.23 0.00 0.00 178.31 176.87 1pwp h ILE 773 N 1.01 1.44 0.00 1.41 2.04 -1.17 -2.62 117.51 119.62 1pwp h ILE 773 Ca 0.27 -2.13 0.00 0.00 1.00 0.00 0.00 64.86 64.00 1pwp h ILE 773 Cb -0.12 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1pwp h ILE 773 CO -0.06 0.62 0.00 0.40 0.00 0.00 0.00 178.15 179.11 1pwp h ILE 774 N -0.13 0.00 0.00 -0.67 2.04 -0.99 -3.26 117.51 114.50 1pwp h ILE 774 Ca -0.08 -0.43 -0.31 0.00 1.00 0.00 0.00 64.86 65.04 1pwp h ILE 774 Cb 1.35 1.39 -0.06 0.00 -0.74 0.00 0.00 36.82 38.77 1pwp h ILE 774 CO 0.12 0.00 -2.22 0.59 0.00 0.00 0.00 178.15 176.64 1pwp n ASN 775 N -2.98 0.53 -0.13 1.72 3.02 -0.43 -5.04 115.26 111.96 1pwp n ASN 775 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.71 1pwp n ASN 775 Cb 0.27 1.01 0.84 0.00 -0.61 0.00 0.00 39.78 41.29 1pwp n ASN 775 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10