#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwq n ARG 28 N 0.00 0.00 -0.01 5.31 0.63 -1.26 -4.93 116.66 116.40 1pwq n ARG 28 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 1pwq n ARG 28 Cb 0.00 0.00 0.11 0.00 0.45 0.00 0.00 32.46 33.02 1pwq n ARG 28 CO 0.00 0.00 0.00 -0.97 -2.51 0.00 0.00 177.63 174.15 1pwq h ASN 29 N 0.00 0.59 0.00 6.15 -0.00 -2.05 -3.20 115.58 117.07 1pwq h ASN 29 Ca 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 56.30 56.04 1pwq h ASN 29 Cb 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 38.32 38.15 1pwq h ASN 29 CO 0.00 0.92 0.33 1.17 -0.00 0.00 0.00 177.43 179.85 1pwq n LYS 30 N -4.04 0.00 0.00 6.67 3.00 -1.26 -3.72 118.16 118.81 1pwq n LYS 30 Ca -0.01 0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 1pwq n LYS 30 Cb 0.50 -1.83 0.00 0.00 0.00 0.00 0.00 35.03 33.70 1pwq n LYS 30 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1pwq n THR 31 N -1.16 0.00 -0.24 3.15 -1.04 -1.21 -4.53 114.28 109.25 1pwq n THR 31 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 1pwq n THR 31 Cb 0.33 -0.51 0.16 0.00 -1.82 0.00 0.00 70.33 68.50 1pwq n THR 31 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1pwq h GLN 32 N 0.00 0.32 0.22 -2.82 4.15 -1.76 0.43 115.11 115.65 1pwq h GLN 32 Ca 0.00 -0.02 -0.32 0.00 0.77 0.00 0.00 58.65 59.09 1pwq h GLN 32 Cb 0.00 -0.07 0.03 0.00 0.21 0.00 0.00 27.48 27.65 1pwq h GLN 32 CO 0.00 0.21 -1.44 1.49 -1.93 0.00 0.00 178.83 177.16 1pwq h GLU 33 N 0.33 0.47 0.00 1.69 4.57 -1.89 -3.00 114.58 116.75 1pwq h GLU 33 Ca 0.38 -0.80 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 1pwq h GLU 33 Cb 0.61 0.30 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 1pwq h GLU 33 CO -0.44 1.38 -1.14 0.39 -1.18 0.00 0.00 179.01 178.02 1pwq n GLU 34 N -3.77 0.38 -0.02 1.92 -0.58 -1.19 -3.34 120.64 114.04 1pwq n GLU 34 Ca -0.18 -0.01 -0.15 0.00 -0.42 0.00 0.00 57.16 56.40 1pwq n GLU 34 Cb 1.05 -1.62 -0.14 0.00 -0.57 0.00 0.00 31.44 30.16 1pwq n GLU 34 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1pwq n HIS 35 N -2.11 1.05 0.17 -0.32 -0.00 0.15 -4.15 115.22 110.01 1pwq n HIS 35 Ca 0.01 0.29 -0.15 0.00 -0.00 0.00 0.00 57.72 57.87 1pwq n HIS 35 Cb 0.47 -1.16 -0.07 0.00 -0.00 0.00 0.00 29.99 29.22 1pwq n HIS 35 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1pwq h LEU 36 N 0.03 -1.11 -1.41 0.27 5.85 -1.59 -0.31 115.31 117.04 1pwq h LEU 36 Ca -0.37 0.11 0.29 0.00 0.84 0.00 0.00 57.88 58.75 1pwq h LEU 36 Cb 2.03 0.40 -0.04 0.00 0.37 0.00 0.00 40.66 43.42 1pwq h LEU 36 CO 0.08 -0.50 1.05 0.11 -0.34 0.00 0.00 178.44 178.84 1pwq h LYS 37 N -0.70 0.00 0.03 1.25 1.57 -1.72 0.80 116.57 117.79 1pwq h LYS 37 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1pwq h LYS 37 Cb 0.68 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.00 1pwq h LYS 37 CO -0.15 0.00 -0.24 1.49 -0.57 0.00 0.00 179.45 179.98 1pwq h GLU 38 N 0.00 0.11 0.00 3.15 4.81 -1.22 -2.66 114.58 118.78 1pwq h GLU 38 Ca 0.48 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1pwq h GLU 38 Cb 2.57 0.05 0.00 0.00 0.63 0.00 0.00 28.75 32.00 1pwq h GLU 38 CO -0.01 1.00 0.00 0.82 -0.73 0.00 0.00 179.01 180.09 1pwq h ILE 39 N -0.70 0.00 0.03 2.32 5.03 0.58 -2.85 117.51 121.93 1pwq h ILE 39 Ca -0.04 -0.37 -0.00 0.00 -0.12 0.00 0.00 64.86 64.33 1pwq h ILE 39 Cb 1.10 1.24 0.00 0.00 -3.03 0.00 0.00 36.82 36.14 1pwq h ILE 39 CO 0.05 0.00 -0.01 0.24 -0.68 0.00 0.00 178.15 177.74 1pwq h MET 40 N 0.00 -0.04 0.00 2.37 2.86 0.25 -3.12 114.93 117.26 1pwq h MET 40 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1pwq h MET 40 Cb 0.44 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1pwq h MET 40 CO 0.00 0.52 -0.18 1.57 1.06 0.00 0.00 176.91 179.89 1pwq h LYS 41 N -0.63 0.00 0.00 1.72 2.10 -1.24 -1.58 116.57 116.94 1pwq h LYS 41 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1pwq h LYS 41 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1pwq h LYS 41 CO 0.01 0.18 -0.05 0.45 -2.00 0.00 0.00 179.45 178.03 1pwq h HIS 42 N 0.00 0.00 0.00 0.07 3.86 -1.61 -3.42 115.15 114.05 1pwq h HIS 42 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1pwq h HIS 42 Cb 0.39 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.86 1pwq h HIS 42 CO 0.00 0.00 -1.21 0.44 0.86 0.00 0.00 177.93 178.02 1pwq n ILE 43 N -3.69 0.36 -2.87 2.45 -5.35 -1.18 -4.76 119.36 104.31 1pwq n ILE 43 Ca -0.01 -0.45 -0.43 0.00 -0.27 0.00 0.00 62.75 61.59 1pwq n ILE 43 Cb 0.03 -0.12 -0.04 0.00 -1.74 0.00 0.00 39.64 37.77 1pwq n ILE 43 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1pwq s VAL 44 N -3.35 4.37 -0.10 7.28 1.01 -0.59 -0.92 120.40 128.10 1pwq s VAL 44 Ca -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 1pwq s VAL 44 Cb 0.12 -4.63 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 1pwq s VAL 44 CO 0.82 -1.36 0.00 -0.54 0.00 0.00 0.00 175.10 174.02 1pwq s LYS 45 N 3.94 3.16 0.22 2.72 3.01 -0.36 -4.59 119.74 127.84 1pwq s LYS 45 Ca 0.23 -0.41 0.08 0.00 -1.01 0.00 0.00 55.97 54.86 1pwq s LYS 45 Cb -0.16 -2.85 -0.04 0.00 -1.01 0.00 0.00 37.83 33.77 1pwq s LYS 45 CO 0.12 0.60 0.00 0.96 0.51 0.00 0.00 175.35 177.54 1pwq s ILE 46 N -0.61 3.61 -0.46 2.17 -5.25 -1.26 -2.61 121.20 116.79 1pwq s ILE 46 Ca 0.10 -1.64 0.06 0.00 -0.99 0.00 0.00 60.65 58.18 1pwq s ILE 46 Cb -0.12 -2.87 0.31 0.00 2.95 0.00 0.00 42.46 42.74 1pwq s ILE 46 CO 0.02 -0.23 1.10 -0.62 -1.79 0.00 0.00 174.94 173.43 1pwq n GLU 47 N -0.47 0.94 -0.36 0.37 1.02 -1.07 -4.90 120.64 116.16 1pwq n GLU 47 Ca -0.08 -1.83 0.00 0.00 -0.02 0.00 0.00 57.16 55.22 1pwq n GLU 47 Cb 0.57 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 1pwq n GLU 47 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1pwq n VAL 48 N 0.55 0.00 0.00 2.62 0.24 -1.26 -4.40 118.33 116.08 1pwq n VAL 48 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1pwq n VAL 48 Cb 0.69 -1.60 0.00 0.00 -1.47 0.00 0.00 33.84 31.47 1pwq n VAL 48 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1pwq n LYS 49 N -0.89 0.00 -4.53 7.34 2.85 -1.26 -5.01 118.16 116.66 1pwq n LYS 49 Ca 0.00 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.01 1pwq n LYS 49 Cb 0.00 -0.38 -0.11 0.00 -0.65 0.00 0.00 35.03 33.89 1pwq n LYS 49 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1pwq s GLY 50 N -2.98 2.18 -1.29 2.58 0.00 -1.26 -4.82 107.32 101.73 1pwq s GLY 50 Ca 0.00 -2.10 -0.16 0.00 0.00 0.00 0.00 44.72 42.46 1pwq s GLY 50 CO 0.00 -1.99 0.55 1.18 0.00 0.00 0.00 173.10 172.83 1pwq n GLU 51 N -0.78 -1.52 -0.28 2.90 -0.58 -1.26 -4.74 120.64 114.37 1pwq n GLU 51 Ca -0.05 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 1pwq n GLU 51 Cb 0.64 -3.75 0.00 0.00 -0.57 0.00 0.00 31.44 27.77 1pwq n GLU 51 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1pwq n GLU 52 N -4.53 0.00 0.00 3.49 0.28 -1.26 -4.38 120.64 114.24 1pwq n GLU 52 Ca -0.19 -0.21 0.00 0.00 -0.16 0.00 0.00 57.16 56.60 1pwq n GLU 52 Cb 0.63 -1.42 0.00 0.00 1.43 0.00 0.00 31.44 32.07 1pwq n GLU 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1pwq n ALA 53 N 3.55 1.31 0.41 -1.84 0.00 -1.26 -4.91 120.51 117.77 1pwq n ALA 53 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1pwq n ALA 53 Cb 0.00 0.00 0.42 0.00 0.00 0.00 0.00 19.45 19.87 1pwq n ALA 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pwq h VAL 54 N 0.00 0.00 -0.57 0.00 2.07 -1.99 -2.99 116.25 112.77 1pwq h VAL 54 Ca 0.00 -0.55 0.11 0.00 0.82 0.00 0.00 66.70 67.08 1pwq h VAL 54 Cb 0.00 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1pwq h VAL 54 CO 0.00 0.00 0.39 0.11 0.02 0.00 0.00 177.57 178.09 1pwq h LYS 55 N 0.00 0.29 -0.00 1.57 1.79 -1.85 0.69 116.57 119.06 1pwq h LYS 55 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1pwq h LYS 55 Cb 0.67 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1pwq h LYS 55 CO 0.00 0.19 -0.20 0.36 -1.08 0.00 0.00 179.45 178.73 1pwq n LYS 56 N -4.46 0.35 -0.02 3.15 2.85 -1.13 -3.57 118.16 115.34 1pwq n LYS 56 Ca 0.10 -0.13 -0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1pwq n LYS 56 Cb 0.43 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 33.31 1pwq n LYS 56 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1pwq h GLU 57 N 0.32 -0.03 -0.72 -1.58 4.81 0.29 -1.19 114.58 116.48 1pwq h GLU 57 Ca 0.00 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.32 1pwq h GLU 57 Cb 0.44 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.78 1pwq h GLU 57 CO 0.00 -0.02 0.48 0.00 -0.73 0.00 0.00 179.01 178.74 1pwq h ALA 58 N -1.30 1.81 -0.02 2.92 0.00 -1.68 3.02 119.26 124.01 1pwq h ALA 58 Ca -0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1pwq h ALA 58 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1pwq h ALA 58 CO 0.01 0.05 -0.62 0.00 0.00 0.00 0.00 179.25 178.69 1pwq h ALA 59 N 1.63 0.94 0.10 0.00 0.00 -1.70 1.60 119.26 121.83 1pwq h ALA 59 Ca 0.33 -0.56 -0.30 0.00 0.00 0.00 0.00 54.91 54.38 1pwq h ALA 59 Cb 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1pwq h ALA 59 CO -0.11 0.76 -1.51 1.49 0.00 0.00 0.00 179.25 179.88 1pwq h GLU 60 N 0.05 0.21 0.26 0.00 4.81 0.62 -2.74 114.58 117.79 1pwq h GLU 60 Ca -0.01 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 58.85 1pwq h GLU 60 Cb 1.11 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1pwq h GLU 60 CO 0.09 1.06 -0.13 0.87 -0.73 0.00 0.00 179.01 180.17 1pwq h LYS 61 N 0.06 -0.34 -0.72 1.92 1.79 0.54 -2.19 116.57 117.64 1pwq h LYS 61 Ca -0.23 0.02 0.11 0.00 -2.18 0.00 0.00 60.65 58.37 1pwq h LYS 61 Cb 2.00 0.08 -0.12 0.00 -1.58 0.00 0.00 32.23 32.60 1pwq h LYS 61 CO 0.15 0.02 -0.41 1.25 -1.08 0.00 0.00 179.45 179.38 1pwq h LEU 62 N -0.81 -1.43 0.00 2.94 5.85 0.22 0.36 115.31 122.44 1pwq h LEU 62 Ca -0.04 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1pwq h LEU 62 Cb 0.51 0.69 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1pwq h LEU 62 CO 0.06 -0.31 0.00 0.18 -0.34 0.00 0.00 178.44 178.03 1pwq n LEU 63 N -5.42 0.00 0.05 2.25 4.77 -1.03 -3.34 117.00 114.28 1pwq n LEU 63 Ca 0.05 0.23 -0.20 0.00 -0.03 0.00 0.00 56.01 56.05 1pwq n LEU 63 Cb 0.36 -0.23 -0.14 0.00 -2.33 0.00 0.00 43.42 41.07 1pwq n LEU 63 CO -0.05 -0.07 0.04 -0.08 -1.33 0.00 0.00 177.39 175.90 1pwq h GLU 64 N 0.00 0.33 0.00 3.23 4.81 0.40 -3.28 114.58 120.07 1pwq h GLU 64 Ca 0.00 -0.54 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1pwq h GLU 64 Cb 0.16 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1pwq h GLU 64 CO 0.00 1.25 0.39 -0.22 -0.73 0.00 0.00 179.01 179.70 1pwq h LYS 65 N -0.32 0.00 -6.47 1.92 1.63 -1.53 -3.41 116.57 108.39 1pwq h LYS 65 Ca -0.15 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 59.12 1pwq h LYS 65 Cb 1.66 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.26 1pwq h LYS 65 CO 0.16 0.00 0.07 0.08 -3.45 0.00 0.00 179.45 176.31 1pwq s VAL 66 N -4.07 4.60 -0.02 2.00 1.01 -1.24 -5.00 120.40 117.69 1pwq s VAL 66 Ca -0.03 1.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.93 1pwq s VAL 66 Cb 0.08 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.48 1pwq s VAL 66 CO 0.25 0.32 2.01 -2.65 0.00 0.00 0.00 175.10 175.03 1pwq n PRO 67 N 1.05 2.63 -0.33 2.72 -0.02 -1.26 -4.83 135.00 134.96 1pwq n PRO 67 Ca -0.05 0.93 0.24 0.00 -2.02 0.00 0.00 63.50 62.60 1pwq n PRO 67 Cb 0.51 -3.00 0.52 0.00 -0.02 0.00 0.00 33.50 31.50 1pwq n PRO 67 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1pwq h SER 68 N 11.21 0.44 -0.40 2.55 4.64 -1.91 -0.59 113.55 129.49 1pwq h SER 68 Ca -0.48 0.09 0.08 0.00 -0.47 0.00 0.00 61.79 61.01 1pwq h SER 68 Cb 1.24 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 1pwq h SER 68 CO 0.95 0.07 0.28 0.44 -0.87 0.00 0.00 176.83 177.69 1pwq h ASP 69 N 0.37 0.15 0.85 4.97 3.32 -1.99 0.16 116.42 124.26 1pwq h ASP 69 Ca 0.61 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.52 1pwq h ASP 69 Cb 1.57 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 41.07 1pwq h ASP 69 CO -0.31 0.09 -0.70 -0.37 -1.72 0.00 0.00 179.24 176.24 1pwq h VAL 70 N 0.17 1.41 -0.33 -1.35 -1.51 -1.48 -2.62 116.25 110.54 1pwq h VAL 70 Ca 0.18 -2.48 -0.11 0.00 -1.23 0.00 0.00 66.70 63.06 1pwq h VAL 70 Cb 0.51 2.37 -0.01 0.00 -2.13 0.00 0.00 31.29 32.03 1pwq h VAL 70 CO -0.03 0.69 -0.26 0.25 -1.23 0.00 0.00 177.57 176.99 1pwq h LEU 71 N 0.00 0.68 -0.47 4.19 5.85 -0.73 -1.57 115.31 123.26 1pwq h LEU 71 Ca -0.01 -0.25 -0.15 0.00 0.84 0.00 0.00 57.88 58.31 1pwq h LEU 71 Cb 1.31 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1pwq h LEU 71 CO 0.09 0.92 -0.41 -0.08 -0.34 0.00 0.00 178.44 178.61 1pwq h GLU 72 N 0.58 0.81 -0.76 1.25 4.57 -1.11 -2.60 114.58 117.32 1pwq h GLU 72 Ca 0.08 -0.43 -0.04 0.00 -1.18 0.00 0.00 59.36 57.79 1pwq h GLU 72 Cb 0.75 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.32 1pwq h GLU 72 CO 0.06 1.07 0.32 0.52 -1.18 0.00 0.00 179.01 179.79 1pwq h MET 73 N 0.65 1.12 -0.64 1.92 2.86 -1.20 0.09 114.93 119.73 1pwq h MET 73 Ca 0.05 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.52 1pwq h MET 73 Cb 0.98 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.42 1pwq h MET 73 CO 0.09 0.89 0.42 -0.92 1.06 0.00 0.00 176.91 178.46 1pwq h TYR 74 N 1.10 0.77 -0.34 -0.22 -0.00 -1.04 0.12 116.97 117.35 1pwq h TYR 74 Ca 0.26 0.02 -0.01 0.00 -0.00 0.00 0.00 58.73 59.00 1pwq h TYR 74 Cb 0.18 -0.26 -0.02 0.00 -0.00 0.00 0.00 36.73 36.63 1pwq h TYR 74 CO 0.02 0.47 0.18 -0.22 -0.00 0.00 0.00 178.16 178.61 1pwq h LYS 75 N 0.81 0.48 0.00 1.82 3.64 -0.68 -2.01 116.57 120.63 1pwq h LYS 75 Ca 0.25 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1pwq h LYS 75 Cb -0.01 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1pwq h LYS 75 CO -0.06 0.40 0.00 0.00 -2.27 0.00 0.00 179.45 177.52 1pwq n ALA 76 N -2.24 -0.13 0.00 5.00 0.00 0.39 0.01 120.51 123.54 1pwq n ALA 76 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1pwq n ALA 76 Cb 0.08 0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1pwq n ALA 76 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1pwq n ILE 77 N -2.22 0.00 -2.47 0.00 -5.35 -0.96 -4.79 119.36 103.58 1pwq n ILE 77 Ca 0.00 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.46 1pwq n ILE 77 Cb 0.00 -0.77 0.00 0.00 -1.74 0.00 0.00 39.64 37.13 1pwq n ILE 77 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pwq n GLY 78 N -0.70 -3.29 3.13 3.28 0.00 0.10 -4.61 105.19 103.10 1pwq n GLY 78 Ca 0.00 0.47 -0.11 0.00 0.00 0.00 0.00 46.02 46.38 1pwq n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pwq s GLY 79 N -1.51 -0.22 0.30 -0.02 0.00 -0.77 -3.37 107.32 101.73 1pwq s GLY 79 Ca 0.05 1.20 0.02 0.00 0.00 0.00 0.00 44.72 45.99 1pwq s GLY 79 CO 0.61 1.94 0.47 0.54 0.00 0.00 0.00 173.10 176.66 1pwq s LYS 80 N 2.13 3.47 -0.01 2.90 1.02 -1.05 -4.47 119.74 123.72 1pwq s LYS 80 Ca -0.03 -0.50 0.07 0.00 0.02 0.00 0.00 55.97 55.53 1pwq s LYS 80 Cb -0.11 -2.75 -0.02 0.00 -0.52 0.00 0.00 37.83 34.42 1pwq s LYS 80 CO -0.10 0.26 -0.21 0.42 -0.92 0.00 0.00 175.35 174.80 1pwq s ILE 81 N -2.18 2.50 -0.15 2.17 1.01 -0.10 -2.92 121.20 121.53 1pwq s ILE 81 Ca 0.38 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 60.00 1pwq s ILE 81 Cb -0.09 -1.95 0.03 0.00 0.01 0.00 0.00 42.46 40.46 1pwq s ILE 81 CO 0.33 0.53 -0.11 -0.31 0.00 0.00 0.00 174.94 175.38 1pwq s TYR 82 N -0.72 2.01 -0.57 3.97 1.51 -0.31 -1.22 117.35 122.03 1pwq s TYR 82 Ca 0.11 -1.17 -0.11 0.00 -1.01 0.00 0.00 57.07 54.90 1pwq s TYR 82 Cb -0.10 -1.49 0.15 0.00 -0.11 0.00 0.00 41.96 40.40 1pwq s TYR 82 CO 0.01 -0.64 0.47 0.42 -1.11 0.00 0.00 175.55 174.69 1pwq s ILE 83 N 1.54 4.61 0.01 2.71 1.01 -1.07 -0.74 121.20 129.26 1pwq s ILE 83 Ca 0.03 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.68 1pwq s ILE 83 Cb -0.14 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1pwq s ILE 83 CO -0.09 -0.86 0.00 1.33 0.00 0.00 0.00 174.94 175.32 1pwq n VAL 84 N 4.63 0.00 -4.41 2.92 0.24 -0.75 -2.59 118.33 118.37 1pwq n VAL 84 Ca -0.03 -0.03 -0.27 0.00 -2.04 0.00 0.00 64.34 61.97 1pwq n VAL 84 Cb 0.41 -0.41 -0.12 0.00 -1.47 0.00 0.00 33.84 32.26 1pwq n VAL 84 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1pwq s ASP 85 N -1.04 3.47 0.65 -1.34 1.11 -1.26 0.18 116.67 118.43 1pwq s ASP 85 Ca 0.00 -0.82 0.00 0.00 0.18 0.00 0.00 52.55 51.91 1pwq s ASP 85 Cb -0.00 -0.28 0.00 0.00 1.07 0.00 0.00 42.92 43.71 1pwq s ASP 85 CO 0.00 0.13 0.00 0.61 1.18 0.00 0.00 175.17 177.10 1pwq n GLY 86 N 0.40 0.79 3.58 0.21 0.00 -1.26 -4.57 105.19 104.34 1pwq n GLY 86 Ca -0.14 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 1pwq n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pwq s ASP 87 N -4.00 5.38 0.35 1.61 3.68 -1.26 -4.85 116.67 117.58 1pwq s ASP 87 Ca 0.00 1.22 0.10 0.00 2.13 0.00 0.00 52.55 56.00 1pwq s ASP 87 Cb 0.00 -2.52 0.86 0.00 -1.45 0.00 0.00 42.92 39.82 1pwq s ASP 87 CO 0.00 -2.13 1.81 0.16 0.13 0.00 0.00 175.17 175.15 1pwq h ILE 88 N 7.08 0.71 0.00 4.11 3.07 -1.83 0.61 117.51 131.26 1pwq h ILE 88 Ca -0.32 -0.22 0.00 0.00 1.55 0.00 0.00 64.86 65.87 1pwq h ILE 88 Cb 1.20 0.02 0.00 0.00 -0.27 0.00 0.00 36.82 37.77 1pwq h ILE 88 CO 1.07 0.12 0.00 0.71 -1.05 0.00 0.00 178.15 179.00 1pwq h THR 89 N 0.64 0.00 -0.07 0.16 1.35 -1.89 -1.99 112.91 111.12 1pwq h THR 89 Ca 0.53 -0.13 -0.03 0.00 -0.55 0.00 0.00 66.41 66.23 1pwq h THR 89 Cb 0.98 0.83 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 1pwq h THR 89 CO -0.29 0.00 0.04 2.29 -0.25 0.00 0.00 175.52 177.31 1pwq n LYS 90 N -2.49 1.20 -4.33 4.72 2.85 0.21 -4.35 118.16 115.97 1pwq n LYS 90 Ca -0.00 -0.27 -0.21 0.00 -1.05 0.00 0.00 58.31 56.78 1pwq n LYS 90 Cb 0.13 -1.28 -0.16 0.00 -0.65 0.00 0.00 35.03 33.07 1pwq n LYS 90 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1pwq s HIS 91 N -0.62 0.95 0.00 5.58 3.76 -0.75 -5.04 115.29 119.18 1pwq s HIS 91 Ca 0.05 -0.28 0.00 0.00 -0.15 0.00 0.00 55.06 54.68 1pwq s HIS 91 Cb 0.04 -0.74 0.00 0.00 1.11 0.00 0.00 32.58 32.99 1pwq s HIS 91 CO 0.01 -0.17 0.00 -0.89 -0.85 0.00 0.00 174.74 172.84 1pwq n ILE 92 N 3.71 0.00 0.32 0.60 5.41 -1.26 0.65 119.36 128.79 1pwq n ILE 92 Ca -0.22 0.00 0.18 0.00 1.00 0.00 0.00 62.75 63.70 1pwq n ILE 92 Cb 0.52 0.00 0.95 0.00 -0.71 0.00 0.00 39.64 40.41 1pwq n ILE 92 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1pwq h SER 93 N 0.00 0.00 -0.31 4.38 0.02 -1.97 -2.87 113.55 112.79 1pwq h SER 93 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pwq h SER 93 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1pwq h SER 93 CO 0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 1pwq n LEU 94 N -2.88 2.93 -0.10 5.07 4.77 0.21 -4.58 117.00 122.42 1pwq n LEU 94 Ca -0.02 -1.63 0.09 0.00 -0.03 0.00 0.00 56.01 54.41 1pwq n LEU 94 Cb 0.22 -0.20 0.48 0.00 -2.33 0.00 0.00 43.42 41.58 1pwq n LEU 94 CO 0.16 0.67 0.81 1.21 -1.33 0.00 0.00 177.39 178.91 1pwq n GLU 95 N 0.90 1.13 0.06 3.23 4.07 -1.09 -4.36 120.64 124.58 1pwq n GLU 95 Ca 0.14 -0.19 -0.03 0.00 -0.06 0.00 0.00 57.16 57.01 1pwq n GLU 95 Cb 0.46 -1.29 -0.02 0.00 -0.06 0.00 0.00 31.44 30.53 1pwq n GLU 95 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1pwq h ALA 96 N 3.62 -0.29 -1.10 4.31 0.00 -1.83 -3.45 119.26 120.52 1pwq h ALA 96 Ca 0.00 -0.05 -0.78 0.00 0.00 0.00 0.00 54.91 54.08 1pwq h ALA 96 Cb 0.08 0.09 0.05 0.00 0.00 0.00 0.00 17.79 18.01 1pwq h ALA 96 CO 0.00 -0.27 0.15 1.28 0.00 0.00 0.00 179.25 180.41 1pwq n LEU 97 N -4.15 0.30 0.00 0.00 4.77 -1.26 -4.94 117.00 111.72 1pwq n LEU 97 Ca -0.03 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 1pwq n LEU 97 Cb 0.09 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 1pwq n LEU 97 CO 0.07 -1.72 0.00 -1.54 -1.33 0.00 0.00 177.39 172.86 1pwq n SER 98 N 1.80 0.00 0.00 -1.43 3.41 -1.26 -4.88 113.62 111.26 1pwq n SER 98 Ca 0.20 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.85 1pwq n SER 98 Cb 0.09 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.22 1pwq n SER 98 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pwq n GLU 99 N 0.00 0.17 0.23 4.33 1.02 -1.26 -2.58 120.64 122.55 1pwq n GLU 99 Ca 0.00 0.05 -0.15 0.00 -0.02 0.00 0.00 57.16 57.04 1pwq n GLU 99 Cb 0.00 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.84 1pwq n GLU 99 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1pwq h ASP 100 N 0.00 -0.46 -3.94 1.62 3.58 -1.99 -3.37 116.42 111.86 1pwq h ASP 100 Ca 0.00 -0.06 -0.68 0.00 0.42 0.00 0.00 57.03 56.71 1pwq h ASP 100 Cb 0.01 0.12 -0.36 0.00 1.72 0.00 0.00 39.33 40.82 1pwq h ASP 100 CO 0.00 -0.23 -0.48 -0.54 -2.88 0.00 0.00 179.24 175.11 1pwq s LYS 101 N -5.53 2.23 0.00 0.28 3.01 -1.06 -4.83 119.74 113.84 1pwq s LYS 101 Ca -0.15 -2.28 0.00 0.00 -1.01 0.00 0.00 55.97 52.52 1pwq s LYS 101 Cb 0.03 -3.59 0.00 0.00 -1.01 0.00 0.00 37.83 33.26 1pwq s LYS 101 CO 0.60 -1.12 0.00 1.17 0.51 0.00 0.00 175.35 176.51 1pwq n LYS 102 N 3.82 2.30 -3.65 1.68 4.81 -1.26 -4.76 118.16 121.11 1pwq n LYS 102 Ca 0.04 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.11 1pwq n LYS 102 Cb 0.38 -0.23 -0.08 0.00 0.02 0.00 0.00 35.03 35.13 1pwq n LYS 102 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1pwq s LYS 103 N -0.19 2.94 -0.10 1.64 2.20 -1.26 -3.32 119.74 121.66 1pwq s LYS 103 Ca 0.00 -2.83 -0.19 0.00 -0.36 0.00 0.00 55.97 52.59 1pwq s LYS 103 Cb 0.00 -3.88 -0.04 0.00 -1.51 0.00 0.00 37.83 32.39 1pwq s LYS 103 CO 0.00 -1.22 0.52 0.42 -0.36 0.00 0.00 175.35 174.71 1pwq s ILE 104 N -0.56 5.14 0.35 5.43 -1.09 -1.26 -5.05 121.20 124.16 1pwq s ILE 104 Ca 0.21 1.05 -0.13 0.00 -2.23 0.00 0.00 60.65 59.55 1pwq s ILE 104 Cb -0.14 -3.86 -0.08 0.00 -1.58 0.00 0.00 42.46 36.80 1pwq s ILE 104 CO -0.07 0.33 0.74 -0.54 -1.23 0.00 0.00 174.94 174.17 1pwq s LYS 105 N 0.52 3.91 0.57 2.79 1.02 -1.26 -3.40 119.74 123.90 1pwq s LYS 105 Ca 0.28 0.58 0.06 0.00 0.02 0.00 0.00 55.97 56.91 1pwq s LYS 105 Cb -0.16 -2.43 0.07 0.00 -0.52 0.00 0.00 37.83 34.80 1pwq s LYS 105 CO 0.12 0.10 0.79 0.16 -0.92 0.00 0.00 175.35 175.60 1pwq s ASP 106 N -2.58 5.08 0.09 2.83 3.84 -1.13 -4.93 116.67 119.87 1pwq s ASP 106 Ca 0.53 -0.57 -0.22 0.00 -0.00 0.00 0.00 52.55 52.29 1pwq s ASP 106 Cb -0.10 -0.08 -0.07 0.00 -1.38 0.00 0.00 42.92 41.29 1pwq s ASP 106 CO 0.22 -1.31 1.37 -0.29 -0.00 0.00 0.00 175.17 175.16 1pwq h ILE 107 N 0.12 0.00 -0.71 2.11 -0.00 -1.93 -1.00 117.51 116.09 1pwq h ILE 107 Ca -0.34 0.00 0.20 0.00 -0.00 0.00 0.00 64.86 64.72 1pwq h ILE 107 Cb 1.28 0.00 -0.03 0.00 -0.00 0.00 0.00 36.82 38.07 1pwq h ILE 107 CO 0.43 0.00 0.51 1.88 -0.00 0.00 0.00 178.15 180.96 1pwq h TYR 108 N -0.18 0.03 0.00 2.19 0.99 -2.00 -3.46 116.97 114.54 1pwq h TYR 108 Ca 0.07 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.80 1pwq h TYR 108 Cb 0.36 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.08 1pwq h TYR 108 CO -0.78 0.01 0.00 0.41 -0.00 0.00 0.00 178.16 177.80 1pwq n GLY 109 N -1.67 1.24 2.71 3.88 0.00 -0.38 -5.11 105.19 105.87 1pwq n GLY 109 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1pwq n GLY 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pwq n LYS 110 N -0.31 -3.00 -3.68 1.61 5.02 -1.26 -4.73 118.16 111.82 1pwq n LYS 110 Ca 0.00 -1.33 -0.27 0.00 -2.02 0.00 0.00 58.31 54.68 1pwq n LYS 110 Cb 0.00 -1.33 -0.11 0.00 -0.02 0.00 0.00 35.03 33.58 1pwq n LYS 110 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1pwq n ASP 111 N -4.62 2.45 -4.68 4.39 8.00 -1.26 -2.83 116.55 117.99 1pwq n ASP 111 Ca 0.12 -3.10 -0.42 0.00 0.71 0.00 0.00 54.79 52.10 1pwq n ASP 111 Cb 0.47 -0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 40.84 1pwq n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pwq s ALA 112 N -1.42 3.44 0.67 2.24 0.00 -1.22 -4.96 121.76 120.51 1pwq s ALA 112 Ca 0.30 0.32 -0.11 0.00 0.00 0.00 0.00 51.96 52.46 1pwq s ALA 112 Cb 0.02 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 1pwq s ALA 112 CO -0.14 -0.64 1.05 -0.51 0.00 0.00 0.00 175.76 175.52 1pwq s LEU 113 N 2.12 3.19 0.00 0.00 1.43 -1.26 -3.99 118.68 120.17 1pwq s LEU 113 Ca 0.47 1.59 0.00 0.00 -1.03 0.00 0.00 54.13 55.16 1pwq s LEU 113 Cb -0.18 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.55 1pwq s LEU 113 CO 0.16 -1.28 0.68 0.18 0.23 0.00 0.00 176.35 176.32 1pwq n LEU 114 N -2.93 0.00 -1.78 1.79 4.77 -1.21 -0.26 117.00 117.38 1pwq n LEU 114 Ca 0.07 0.68 -0.01 0.00 -0.03 0.00 0.00 56.01 56.72 1pwq n LEU 114 Cb 0.54 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 1pwq n LEU 114 CO 0.55 -0.18 0.72 0.00 -1.33 0.00 0.00 177.39 177.16 1pwq n HIS 115 N -1.22 0.00 -1.27 -1.77 1.44 -1.26 0.66 115.22 111.79 1pwq n HIS 115 Ca 0.00 -0.67 0.00 0.00 -2.01 0.00 0.00 57.72 55.04 1pwq n HIS 115 Cb 0.00 -0.53 0.00 0.00 0.12 0.00 0.00 29.99 29.58 1pwq n HIS 115 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1pwq n GLU 116 N 1.86 0.00 -0.26 -1.40 2.13 -1.13 -4.94 120.64 116.90 1pwq n GLU 116 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1pwq n GLU 116 Cb 0.35 -0.05 0.00 0.00 0.27 0.00 0.00 31.44 32.02 1pwq n GLU 116 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1pwq n HIS 117 N 0.00 -0.89 -0.51 4.31 -0.00 0.21 -4.80 115.22 113.54 1pwq n HIS 117 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1pwq n HIS 117 Cb 0.12 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.99 1pwq n HIS 117 CO 0.00 0.00 0.00 2.48 0.46 0.00 0.00 176.34 179.28 1pwq n TYR 118 N -0.31 0.00 -3.71 1.57 4.11 -1.26 -4.68 117.16 112.87 1pwq n TYR 118 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.76 1pwq n TYR 118 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.25 1pwq n TYR 118 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1pwq s VAL 119 N 0.00 0.02 0.18 -3.48 1.01 -1.26 -0.13 120.40 116.74 1pwq s VAL 119 Ca 0.00 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 1pwq s VAL 119 Cb 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.75 1pwq s VAL 119 CO 0.00 -0.08 0.48 -0.47 0.00 0.00 0.00 175.10 175.03 1pwq s TYR 120 N -0.37 -0.07 -0.23 5.22 5.04 0.26 -5.01 117.35 122.19 1pwq s TYR 120 Ca -0.05 -0.27 -0.03 0.00 -2.44 0.00 0.00 57.07 54.27 1pwq s TYR 120 Cb -0.03 0.32 0.10 0.00 0.35 0.00 0.00 41.96 42.70 1pwq s TYR 120 CO 0.03 -0.86 0.20 0.00 -1.34 0.00 0.00 175.55 173.57 1pwq s ALA 121 N -3.87 -0.02 0.18 3.97 0.00 -1.26 -0.21 121.76 120.55 1pwq s ALA 121 Ca 0.09 -0.23 -0.33 0.00 0.00 0.00 0.00 51.96 51.49 1pwq s ALA 121 Cb -0.00 -1.40 -0.13 0.00 0.00 0.00 0.00 23.12 21.59 1pwq s ALA 121 CO -0.04 -1.40 1.60 1.17 0.00 0.00 0.00 175.76 177.09 1pwq n LYS 122 N 5.30 2.33 -3.54 0.00 4.81 0.90 -4.91 118.16 123.04 1pwq n LYS 122 Ca -0.05 0.84 -0.41 0.00 -0.87 0.00 0.00 58.31 57.82 1pwq n LYS 122 Cb 0.47 -2.62 -0.07 0.00 0.02 0.00 0.00 35.03 32.84 1pwq n LYS 122 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1pwq s GLU 123 N 0.82 2.90 0.12 1.64 2.56 -1.26 -3.30 118.70 122.17 1pwq s GLU 123 Ca 0.76 -2.32 -0.25 0.00 0.00 0.00 0.00 54.97 53.17 1pwq s GLU 123 Cb -0.62 -4.02 0.08 0.00 2.00 0.00 0.00 34.13 31.57 1pwq s GLU 123 CO 0.38 -1.22 1.10 0.20 -0.56 0.00 0.00 175.26 175.15 1pwq s GLY 124 N 1.68 -0.05 0.00 -1.50 0.00 -1.26 -4.99 107.32 101.20 1pwq s GLY 124 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.80 1pwq s GLY 124 CO -0.05 2.24 0.08 1.58 0.00 0.00 0.00 173.10 176.95 1pwq n TYR 125 N -0.67 0.00 -3.18 1.90 0.18 -1.26 -2.75 117.16 111.38 1pwq n TYR 125 Ca -0.03 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.52 1pwq n TYR 125 Cb 0.60 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.49 1pwq n TYR 125 CO 0.00 0.00 0.00 -1.91 -2.08 0.00 0.00 176.86 172.87 1pwq n GLU 126 N -0.55 0.61 -1.69 -3.48 4.07 -1.26 -5.05 120.64 113.29 1pwq n GLU 126 Ca 0.00 -3.07 -0.62 0.00 -0.06 0.00 0.00 57.16 53.42 1pwq n GLU 126 Cb 0.00 -1.32 -0.09 0.00 -0.06 0.00 0.00 31.44 29.97 1pwq n GLU 126 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1pwq n PRO 127 N 1.73 0.63 -4.30 5.31 -0.02 -1.11 -4.90 135.00 132.34 1pwq n PRO 127 Ca 0.22 0.23 -0.18 0.00 -2.02 0.00 0.00 63.50 61.75 1pwq n PRO 127 Cb 0.53 -1.85 -0.14 0.00 -0.02 0.00 0.00 33.50 32.03 1pwq n PRO 127 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pwq s VAL 128 N 3.64 0.77 -0.11 -1.45 1.01 -1.21 -2.54 120.40 120.50 1pwq s VAL 128 Ca 1.03 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 62.32 1pwq s VAL 128 Cb -1.26 -0.69 0.06 0.00 0.00 0.00 0.00 36.38 34.49 1pwq s VAL 128 CO 0.72 0.04 0.15 -0.22 0.00 0.00 0.00 175.10 175.79 1pwq s LEU 129 N -0.69 -0.01 -0.14 3.92 2.96 -1.15 0.31 118.68 123.88 1pwq s LEU 129 Ca 0.01 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 1pwq s LEU 129 Cb -0.06 0.19 -0.00 0.00 0.50 0.00 0.00 46.19 46.82 1pwq s LEU 129 CO 0.00 -0.28 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.89 1pwq s VAL 130 N 2.27 2.54 -0.07 1.68 1.01 0.71 -1.16 120.40 127.38 1pwq s VAL 130 Ca 0.04 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.24 1pwq s VAL 130 Cb -0.13 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 1pwq s VAL 130 CO -0.07 0.53 -0.23 -0.63 0.00 0.00 0.00 175.10 174.70 1pwq s ILE 131 N 0.66 1.92 0.68 2.22 1.01 0.08 -0.57 121.20 127.20 1pwq s ILE 131 Ca -0.09 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 59.48 1pwq s ILE 131 Cb -0.16 -1.64 -0.00 0.00 0.01 0.00 0.00 42.46 40.67 1pwq s ILE 131 CO 0.02 0.53 1.06 -1.58 0.00 0.00 0.00 174.94 174.97 1pwq s GLN 132 N 0.03 3.05 0.96 2.79 0.74 0.81 -1.81 119.66 126.22 1pwq s GLN 132 Ca -0.08 0.94 -0.15 0.00 0.05 0.00 0.00 55.36 56.12 1pwq s GLN 132 Cb -0.15 -2.00 0.18 0.00 1.10 0.00 0.00 33.01 32.14 1pwq s GLN 132 CO 0.05 -1.01 1.25 0.45 -0.55 0.00 0.00 175.29 175.47 1pwq s SER 133 N -3.79 3.16 -0.14 6.67 0.15 0.47 -4.73 113.70 115.49 1pwq s SER 133 Ca 0.58 0.49 -0.31 0.00 0.70 0.00 0.00 55.95 57.40 1pwq s SER 133 Cb -0.14 -0.70 0.13 0.00 -1.71 0.00 0.00 66.02 63.60 1pwq s SER 133 CO 0.54 -2.72 1.08 -0.55 1.20 0.00 0.00 173.24 172.79 1pwq s SER 134 N -4.62 -0.25 -0.04 5.45 0.15 -1.26 -5.01 113.70 108.13 1pwq s SER 134 Ca 0.70 0.11 -0.14 0.00 0.70 0.00 0.00 55.95 57.33 1pwq s SER 134 Cb -0.07 0.24 -0.08 0.00 -1.71 0.00 0.00 66.02 64.40 1pwq s SER 134 CO 0.53 -0.34 0.57 -0.33 1.20 0.00 0.00 173.24 174.87 1pwq h GLU 135 N 2.16 -0.48 -2.23 5.44 3.07 -1.96 -3.44 114.58 117.13 1pwq h GLU 135 Ca -0.15 0.03 -0.15 0.00 -0.50 0.00 0.00 59.36 58.59 1pwq h GLU 135 Cb 1.19 0.11 -0.30 0.00 -0.84 0.00 0.00 28.75 28.91 1pwq h GLU 135 CO 0.27 -0.32 -0.46 -0.51 -1.40 0.00 0.00 179.01 176.59 1pwq s ASP 136 N -4.96 0.16 0.00 1.42 1.01 -1.26 -4.61 116.67 108.43 1pwq s ASP 136 Ca -0.07 0.49 0.11 0.00 0.71 0.00 0.00 52.55 53.78 1pwq s ASP 136 Cb 0.01 1.10 0.63 0.00 1.01 0.00 0.00 42.92 45.67 1pwq s ASP 136 CO 0.22 -0.27 1.34 -1.22 0.21 0.00 0.00 175.17 175.44 1pwq n TYR 137 N 5.37 0.00 0.25 4.23 4.02 -1.26 -3.87 117.16 125.89 1pwq n TYR 137 Ca -0.06 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.73 1pwq n TYR 137 Cb 0.50 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.77 1pwq n TYR 137 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1pwq h VAL 138 N 0.00 0.00 -0.26 -0.72 2.07 -1.99 -3.28 116.25 112.06 1pwq h VAL 138 Ca 0.00 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.12 1pwq h VAL 138 Cb 0.00 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 1pwq h VAL 138 CO 0.00 0.00 0.09 -0.33 0.02 0.00 0.00 177.57 177.35 1pwq h GLU 139 N -1.11 0.20 -7.28 1.57 4.39 -2.03 -3.42 114.58 106.91 1pwq h GLU 139 Ca -0.07 -0.01 -0.51 0.00 0.34 0.00 0.00 59.36 59.11 1pwq h GLU 139 Cb 0.52 -0.05 0.10 0.00 -0.10 0.00 0.00 28.75 29.22 1pwq h GLU 139 CO 0.11 0.13 0.36 1.21 -1.16 0.00 0.00 179.01 179.67 1pwq s ASN 140 N -5.33 5.24 0.00 1.42 3.84 -1.24 -4.97 114.94 113.90 1pwq s ASN 140 Ca -0.13 1.76 0.00 0.00 0.21 0.00 0.00 52.86 54.70 1pwq s ASN 140 Cb 0.10 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.29 1pwq s ASN 140 CO 0.70 -1.54 0.00 0.35 -2.79 0.00 0.00 177.10 173.82 1pwq n THR 141 N -2.88 0.00 0.27 -5.21 -2.24 -1.26 -4.81 114.28 98.16 1pwq n THR 141 Ca 0.08 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 1pwq n THR 141 Cb 0.53 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.92 1pwq n THR 141 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1pwq h GLU 142 N 0.00 0.00 0.00 -0.78 5.08 -1.94 -3.13 114.58 113.81 1pwq h GLU 142 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1pwq h GLU 142 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1pwq h GLU 142 CO 0.00 0.00 -0.14 0.87 -1.00 0.00 0.00 179.01 178.74 1pwq h LYS 143 N 0.00 0.00 -0.92 2.33 1.57 -1.97 -3.12 116.57 114.45 1pwq h LYS 143 Ca 0.00 0.00 0.23 0.00 -1.87 0.00 0.00 60.65 59.01 1pwq h LYS 143 Cb 0.94 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.19 1pwq h LYS 143 CO 0.00 0.71 0.62 0.00 -0.57 0.00 0.00 179.45 180.21 1pwq h ALA 144 N -0.34 2.41 0.02 3.86 0.00 -1.91 0.15 119.26 123.44 1pwq h ALA 144 Ca -0.03 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pwq h ALA 144 Cb 0.75 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1pwq h ALA 144 CO -0.02 -0.70 -0.02 1.25 0.00 0.00 0.00 179.25 179.76 1pwq h LEU 145 N 0.28 -0.04 -0.85 0.00 5.85 -1.59 0.32 115.31 119.28 1pwq h LEU 145 Ca 0.47 0.00 0.12 0.00 0.84 0.00 0.00 57.88 59.32 1pwq h LEU 145 Cb 1.39 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 42.29 1pwq h LEU 145 CO -0.14 -0.02 -0.43 0.78 -0.34 0.00 0.00 178.44 178.29 1pwq h ASN 146 N -0.03 -1.54 -0.07 1.25 2.35 -0.73 0.57 115.58 117.38 1pwq h ASN 146 Ca -0.00 0.29 0.01 0.00 -0.55 0.00 0.00 56.30 56.04 1pwq h ASN 146 Cb 0.03 0.75 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 1pwq h ASN 146 CO 0.00 -0.29 -0.06 0.58 -1.65 0.00 0.00 177.43 176.01 1pwq h VAL 147 N -0.08 0.00 -1.23 2.81 2.07 -0.86 1.04 116.25 120.00 1pwq h VAL 147 Ca 0.26 0.00 0.36 0.00 0.82 0.00 0.00 66.70 68.14 1pwq h VAL 147 Cb 0.55 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 1pwq h VAL 147 CO -0.87 0.00 1.04 1.88 0.02 0.00 0.00 177.57 179.64 1pwq h TYR 148 N -0.03 0.00 -0.12 1.57 0.99 0.36 0.57 116.97 120.31 1pwq h TYR 148 Ca 0.01 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.62 1pwq h TYR 148 Cb 0.06 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.79 1pwq h TYR 148 CO -0.74 0.00 -0.39 -0.92 -0.00 0.00 0.00 178.16 176.12 1pwq h TYR 149 N 0.00 0.61 -0.44 4.88 3.20 0.59 -1.72 116.97 124.09 1pwq h TYR 149 Ca 0.59 -0.25 -0.04 0.00 3.14 0.00 0.00 58.73 62.17 1pwq h TYR 149 Cb 2.66 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 40.81 1pwq h TYR 149 CO 0.00 1.00 0.13 1.49 -1.64 0.00 0.00 178.16 179.13 1pwq h GLU 150 N 0.06 0.69 -0.52 1.82 4.57 0.30 -0.37 114.58 121.12 1pwq h GLU 150 Ca -0.02 -0.15 0.11 0.00 -1.18 0.00 0.00 59.36 58.12 1pwq h GLU 150 Cb 1.01 -0.10 -0.10 0.00 -0.16 0.00 0.00 28.75 29.40 1pwq h GLU 150 CO 0.08 0.67 -0.18 0.82 -1.18 0.00 0.00 179.01 179.23 1pwq h ILE 151 N 0.57 0.40 0.00 2.32 2.04 -1.31 0.13 117.51 121.65 1pwq h ILE 151 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 1pwq h ILE 151 Cb 0.28 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1pwq h ILE 151 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 1pwq n GLY 152 N -1.40 -3.15 0.26 5.37 0.00 -0.43 0.10 105.19 105.95 1pwq n GLY 152 Ca 0.05 0.54 0.23 0.00 0.00 0.00 0.00 46.02 46.83 1pwq n GLY 152 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pwq n LYS 153 N -2.45 -0.05 0.12 1.61 5.02 -0.28 -0.18 118.16 121.94 1pwq n LYS 153 Ca 0.00 1.13 -0.05 0.00 -2.02 0.00 0.00 58.31 57.37 1pwq n LYS 153 Cb 0.00 -1.98 -0.03 0.00 -0.02 0.00 0.00 35.03 33.01 1pwq n LYS 153 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1pwq h ILE 154 N 0.00 0.00 -0.76 -0.18 2.04 0.33 0.20 117.51 119.13 1pwq h ILE 154 Ca 0.64 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.66 1pwq h ILE 154 Cb 1.63 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.60 1pwq h ILE 154 CO -0.65 0.00 0.27 0.25 0.00 0.00 0.00 178.15 178.02 1pwq h LEU 155 N -0.32 0.20 0.00 1.44 5.85 0.91 0.67 115.31 124.05 1pwq h LEU 155 Ca -0.03 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1pwq h LEU 155 Cb 0.25 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1pwq h LEU 155 CO 0.03 0.05 0.00 -1.54 -0.34 0.00 0.00 178.44 176.64 1pwq n SER 156 N -5.06 0.00 0.00 1.25 3.41 0.74 -1.54 113.62 112.43 1pwq n SER 156 Ca 0.15 -0.77 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 1pwq n SER 156 Cb 0.46 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1pwq n SER 156 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1pwq n ARG 157 N -1.03 5.08 -0.02 4.33 0.63 0.68 -4.61 116.66 121.71 1pwq n ARG 157 Ca 0.20 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 57.13 1pwq n ARG 157 Cb 0.11 -0.44 -0.07 0.00 0.45 0.00 0.00 32.46 32.51 1pwq n ARG 157 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1pwq n ASP 158 N -0.02 2.98 -0.01 6.15 10.43 0.21 -4.57 116.55 131.72 1pwq n ASP 158 Ca 0.00 0.00 -0.02 0.00 2.57 0.00 0.00 54.79 57.34 1pwq n ASP 158 Cb 0.00 1.02 -0.01 0.00 1.84 0.00 0.00 41.12 43.98 1pwq n ASP 158 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1pwq n ILE 159 N -2.08 0.38 0.09 0.53 5.41 -1.14 -4.54 119.36 118.02 1pwq n ILE 159 Ca -0.08 0.31 0.13 0.00 1.00 0.00 0.00 62.75 64.11 1pwq n ILE 159 Cb 0.52 -1.54 0.63 0.00 -0.71 0.00 0.00 39.64 38.54 1pwq n ILE 159 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1pwq h LEU 160 N -0.18 0.08 -1.03 1.39 3.38 -1.55 0.49 115.31 117.89 1pwq h LEU 160 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pwq h LEU 160 Cb 0.18 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1pwq h LEU 160 CO 0.00 0.05 0.00 -1.54 0.09 0.00 0.00 178.44 177.04 1pwq n SER 161 N -4.46 0.54 -1.02 -0.43 3.41 -1.21 -1.47 113.62 108.97 1pwq n SER 161 Ca 0.04 0.70 0.11 0.00 -0.26 0.00 0.00 58.87 59.47 1pwq n SER 161 Cb 0.34 -0.79 0.25 0.00 -0.26 0.00 0.00 64.21 63.76 1pwq n SER 161 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1pwq n LYS 162 N -2.17 2.33 0.00 4.33 5.02 0.17 -4.10 118.16 123.74 1pwq n LYS 162 Ca 0.00 -2.01 0.00 0.00 -2.02 0.00 0.00 58.31 54.28 1pwq n LYS 162 Cb 0.10 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1pwq n LYS 162 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1pwq n ILE 163 N 1.22 0.14 -2.17 -0.18 -5.35 -0.54 -4.97 119.36 107.51 1pwq n ILE 163 Ca 0.19 -0.19 -0.01 0.00 -0.27 0.00 0.00 62.75 62.47 1pwq n ILE 163 Cb 0.54 1.21 0.01 0.00 -1.74 0.00 0.00 39.64 39.66 1pwq n ILE 163 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1pwq n ASN 164 N -0.07 -2.05 -4.07 7.28 5.03 -0.76 -4.94 115.26 115.67 1pwq n ASN 164 Ca 0.00 -0.04 -0.09 0.00 0.87 0.00 0.00 54.58 55.32 1pwq n ASN 164 Cb 0.35 -0.82 -0.11 0.00 -1.02 0.00 0.00 39.78 38.19 1pwq n ASN 164 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1pwq s GLN 165 N -4.24 0.56 0.86 3.52 -0.21 -0.75 -4.49 119.66 114.91 1pwq s GLN 165 Ca 0.01 -1.00 -0.11 0.00 0.02 0.00 0.00 55.36 54.28 1pwq s GLN 165 Cb -0.00 0.01 0.11 0.00 1.00 0.00 0.00 33.01 34.13 1pwq s GLN 165 CO 0.05 -0.05 1.11 -2.14 -2.12 0.00 0.00 175.29 172.14 1pwq s PRO 166 N -2.84 1.49 0.00 2.91 0.02 -1.26 -3.36 135.00 131.96 1pwq s PRO 166 Ca -0.01 1.23 0.00 0.00 0.02 0.00 0.00 61.00 62.24 1pwq s PRO 166 Cb -0.00 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.71 1pwq s PRO 166 CO -0.05 -2.20 0.00 0.98 -0.33 0.00 0.00 177.00 175.40 1pwq n TYR 167 N -3.91 0.00 -0.05 6.54 9.36 -1.26 -4.99 117.16 122.85 1pwq n TYR 167 Ca 0.09 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.24 1pwq n TYR 167 Cb 0.53 0.00 0.09 0.00 -0.63 0.00 0.00 39.34 39.33 1pwq n TYR 167 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 1pwq h GLN 168 N 0.00 0.68 -0.02 2.98 5.75 -1.93 0.27 115.11 122.84 1pwq h GLN 168 Ca 0.00 -0.31 -0.00 0.00 -0.15 0.00 0.00 58.65 58.19 1pwq h GLN 168 Cb 0.00 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.54 1pwq h GLN 168 CO 0.00 0.91 0.01 -0.22 -2.65 0.00 0.00 178.83 176.88 1pwq h LYS 169 N 0.57 0.02 0.00 1.69 3.64 -1.96 -1.29 116.57 119.24 1pwq h LYS 169 Ca 0.06 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1pwq h LYS 169 Cb 0.83 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1pwq h LYS 169 CO 0.07 0.15 -0.25 0.35 -2.27 0.00 0.00 179.45 177.50 1pwq h PHE 170 N -0.11 0.00 0.03 1.91 3.57 -1.93 -3.02 116.94 117.38 1pwq h PHE 170 Ca 0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1pwq h PHE 170 Cb 0.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1pwq h PHE 170 CO -0.03 0.25 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.22 1pwq h LEU 171 N 0.00 -0.03 -1.82 0.59 3.38 -0.64 -2.71 115.31 114.08 1pwq h LEU 171 Ca -0.00 -0.34 0.26 0.00 0.09 0.00 0.00 57.88 57.89 1pwq h LEU 171 Cb 0.80 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 1pwq h LEU 171 CO 0.03 0.33 0.80 0.44 0.09 0.00 0.00 178.44 180.13 1pwq h ASP 172 N -0.40 0.00 0.88 -0.43 3.32 -1.11 0.57 116.42 119.26 1pwq h ASP 172 Ca -0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 1pwq h ASP 172 Cb 0.37 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1pwq h ASP 172 CO 0.01 0.00 -1.20 0.58 -1.72 0.00 0.00 179.24 176.90 1pwq h VAL 173 N 0.00 0.89 -0.16 -1.35 2.07 -1.51 -3.03 116.25 113.16 1pwq h VAL 173 Ca 0.43 -2.48 -0.20 0.00 0.82 0.00 0.00 66.70 65.27 1pwq h VAL 173 Cb 2.02 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 34.16 1pwq h VAL 173 CO -0.00 0.51 -0.70 -0.07 0.02 0.00 0.00 177.57 177.32 1pwq h LEU 174 N 0.00 0.81 -0.01 2.57 3.38 0.41 -3.09 115.31 119.37 1pwq h LEU 174 Ca -0.13 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.34 1pwq h LEU 174 Cb 1.68 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 42.19 1pwq h LEU 174 CO 0.07 1.28 -0.00 0.78 0.09 0.00 0.00 178.44 180.66 1pwq h ASN 175 N 0.49 0.02 -0.99 -0.43 2.35 -1.37 -2.47 115.58 113.19 1pwq h ASN 175 Ca -0.03 -0.34 0.26 0.00 -0.55 0.00 0.00 56.30 55.64 1pwq h ASN 175 Cb 1.31 -0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.61 1pwq h ASN 175 CO 0.14 0.35 0.68 0.74 -1.65 0.00 0.00 177.43 177.69 1pwq h THR 176 N -0.32 0.55 -0.29 2.81 2.02 -1.60 0.28 112.91 116.36 1pwq h THR 176 Ca 0.00 -0.07 -0.14 0.00 0.77 0.00 0.00 66.41 66.97 1pwq h THR 176 Cb 0.35 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1pwq h THR 176 CO 0.00 0.04 -0.39 0.40 0.37 0.00 0.00 175.52 175.94 1pwq h ILE 177 N 0.20 1.29 0.09 3.11 1.08 -1.37 -3.28 117.51 118.64 1pwq h ILE 177 Ca 0.51 -1.56 -0.28 0.00 -0.39 0.00 0.00 64.86 63.13 1pwq h ILE 177 Cb 1.63 1.49 0.02 0.00 -3.07 0.00 0.00 36.82 36.88 1pwq h ILE 177 CO -0.13 0.50 -1.18 0.07 -0.69 0.00 0.00 178.15 176.73 1pwq h LYS 178 N 0.57 0.53 -3.95 2.37 2.10 -0.11 -3.41 116.57 114.67 1pwq h LYS 178 Ca 0.05 -0.70 -0.74 0.00 -2.00 0.00 0.00 60.65 57.26 1pwq h LYS 178 Cb 0.92 0.23 -0.30 0.00 -0.90 0.00 0.00 32.23 32.18 1pwq h LYS 178 CO 0.08 1.30 -0.24 -0.80 -2.00 0.00 0.00 179.45 177.80 1pwq s ASN 179 N -7.32 5.89 0.22 7.07 0.01 -0.61 -5.02 114.94 115.17 1pwq s ASN 179 Ca -0.08 -2.40 -0.21 0.00 -0.71 0.00 0.00 52.86 49.46 1pwq s ASN 179 Cb 0.06 -2.03 0.07 0.00 0.41 0.00 0.00 41.25 39.77 1pwq s ASN 179 CO 0.91 -0.57 0.99 0.00 -1.51 0.00 0.00 177.10 176.92 1pwq s ALA 180 N 0.62 -1.45 0.00 0.60 0.00 -1.26 -4.76 121.76 115.51 1pwq s ALA 180 Ca 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1pwq s ALA 180 Cb -0.20 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.66 1pwq s ALA 180 CO -0.04 -1.05 0.53 0.45 0.00 0.00 0.00 175.76 175.65 1pwq n SER 181 N -1.22 0.00 -4.64 0.00 2.88 -1.26 -4.55 113.62 104.83 1pwq n SER 181 Ca -0.04 0.53 -0.43 0.00 -1.33 0.00 0.00 58.87 57.60 1pwq n SER 181 Cb 0.60 -0.03 -0.03 0.00 -0.75 0.00 0.00 64.21 64.00 1pwq n SER 181 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1pwq s ASP 182 N -2.50 6.46 -0.36 -3.46 2.15 -1.26 -4.91 116.67 112.79 1pwq s ASP 182 Ca 0.00 1.77 0.01 0.00 0.43 0.00 0.00 52.55 54.75 1pwq s ASP 182 Cb 0.00 -2.53 0.37 0.00 -0.30 0.00 0.00 42.92 40.45 1pwq s ASP 182 CO 0.00 -1.16 1.80 -1.54 -0.17 0.00 0.00 175.17 174.09 1pwq n SER 183 N 8.09 5.08 -0.04 -0.34 3.41 -1.26 -4.07 113.62 124.50 1pwq n SER 183 Ca 0.18 -3.17 -0.06 0.00 -0.26 0.00 0.00 58.87 55.57 1pwq n SER 183 Cb 0.45 -0.87 -0.04 0.00 -0.26 0.00 0.00 64.21 63.49 1pwq n SER 183 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1pwq n ASP 184 N -0.33 3.22 0.19 4.04 4.64 -1.26 -4.39 116.55 122.65 1pwq n ASP 184 Ca 0.40 -0.04 0.18 0.00 -1.38 0.00 0.00 54.79 53.95 1pwq n ASP 184 Cb 0.95 -0.14 0.82 0.00 -1.04 0.00 0.00 41.12 41.72 1pwq n ASP 184 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 1pwq h GLY 185 N 0.61 0.00 0.64 0.27 0.00 -1.70 0.63 103.07 103.53 1pwq h GLY 185 Ca -0.19 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 1pwq h GLY 185 CO -0.03 0.00 -0.26 1.46 0.00 0.00 0.00 176.54 177.70 1pwq h GLN 186 N 0.00 -0.71 0.00 4.80 4.20 -1.79 -2.96 115.11 118.65 1pwq h GLN 186 Ca 0.10 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1pwq h GLN 186 Cb 0.62 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1pwq h GLN 186 CO -0.00 -0.41 0.68 -0.44 -0.67 0.00 0.00 178.83 177.98 1pwq h ASP 187 N -1.10 0.00 0.44 1.46 3.45 -1.09 -0.43 116.42 119.15 1pwq h ASP 187 Ca -0.07 0.00 -0.31 0.00 0.43 0.00 0.00 57.03 57.08 1pwq h ASP 187 Cb 0.62 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.37 1pwq h ASP 187 CO 0.12 0.00 -1.58 0.25 -1.57 0.00 0.00 179.24 176.46 1pwq h LEU 188 N 0.00 0.33 0.00 1.55 5.85 -1.29 -3.43 115.31 118.33 1pwq h LEU 188 Ca 0.00 -0.50 -0.13 0.00 0.84 0.00 0.00 57.88 58.09 1pwq h LEU 188 Cb 1.36 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1pwq h LEU 188 CO 0.00 1.42 -1.49 0.18 -0.34 0.00 0.00 178.44 178.22 1pwq n LEU 189 N -3.40 2.53 -4.78 2.25 4.77 -0.35 -5.05 117.00 112.97 1pwq n LEU 189 Ca -0.17 -0.02 -0.41 0.00 -0.03 0.00 0.00 56.01 55.38 1pwq n LEU 189 Cb 1.04 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 1pwq n LEU 189 CO 0.49 0.55 1.13 -0.36 -1.33 0.00 0.00 177.39 177.88 1pwq s PHE 190 N -2.17 2.57 1.04 -1.77 0.08 -0.32 -4.85 117.98 112.57 1pwq s PHE 190 Ca -0.12 1.18 -0.17 0.00 0.12 0.00 0.00 56.93 57.94 1pwq s PHE 190 Cb 0.03 -4.02 0.22 0.00 -0.57 0.00 0.00 43.02 38.69 1pwq s PHE 190 CO 0.19 -3.00 1.23 -0.08 -0.10 0.00 0.00 175.22 173.46 1pwq s THR 191 N -1.13 1.86 -1.32 0.64 -1.32 -1.26 -4.81 115.64 108.30 1pwq s THR 191 Ca 0.53 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.01 1pwq s THR 191 Cb -0.46 -2.80 0.00 0.00 -1.51 0.00 0.00 72.50 67.73 1pwq s THR 191 CO 0.63 0.00 0.31 0.59 -2.21 0.00 0.00 174.62 173.93 1pwq n ASN 192 N -4.11 0.32 0.00 8.08 4.13 -1.26 -2.90 115.26 119.52 1pwq n ASN 192 Ca 0.14 -0.93 0.00 0.00 1.68 0.00 0.00 54.58 55.47 1pwq n ASN 192 Cb 0.59 -0.16 0.00 0.00 -1.54 0.00 0.00 39.78 38.68 1pwq n ASN 192 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pwq n GLN 193 N 0.02 0.25 0.13 3.52 -0.00 -1.26 -4.87 117.38 115.18 1pwq n GLN 193 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.00 57.01 1pwq n GLN 193 Cb 0.08 -0.02 0.10 0.00 -0.00 0.00 0.00 30.24 30.40 1pwq n GLN 193 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1pwq h LEU 194 N 0.00 0.00 -0.04 2.61 3.38 -1.87 -3.15 115.31 116.24 1pwq h LEU 194 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pwq h LEU 194 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1pwq h LEU 194 CO 0.00 0.60 0.01 0.11 0.09 0.00 0.00 178.44 179.24 1pwq h LYS 195 N 0.00 0.06 -0.63 1.13 1.57 -1.89 -3.30 116.57 113.50 1pwq h LYS 195 Ca -0.01 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1pwq h LYS 195 Cb 1.30 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.57 1pwq h LYS 195 CO 0.08 0.30 0.26 0.93 -0.57 0.00 0.00 179.45 180.45 1pwq h GLU 196 N -0.19 0.94 -2.49 3.15 5.08 -1.87 -3.46 114.58 115.75 1pwq h GLU 196 Ca 0.01 -0.17 -0.35 0.00 -1.00 0.00 0.00 59.36 57.86 1pwq h GLU 196 Cb 0.27 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.38 1pwq h GLU 196 CO 0.00 0.79 0.16 1.58 -1.00 0.00 0.00 179.01 180.54 1pwq n HIS 197 N -4.44 0.50 0.00 4.33 -0.00 -1.19 -4.87 115.22 109.56 1pwq n HIS 197 Ca 0.04 0.46 0.00 0.00 0.46 0.00 0.00 57.72 58.68 1pwq n HIS 197 Cb 0.17 -0.90 0.00 0.00 -0.12 0.00 0.00 29.99 29.14 1pwq n HIS 197 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1pwq n PRO 198 N 1.15 0.00 -2.28 1.57 -0.02 -1.26 -4.86 135.00 129.29 1pwq n PRO 198 Ca 0.11 0.39 -0.25 0.00 -2.02 0.00 0.00 63.50 61.72 1pwq n PRO 198 Cb 0.00 -1.22 0.08 0.00 -0.02 0.00 0.00 33.50 32.35 1pwq n PRO 198 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1pwq s THR 199 N -1.86 2.27 0.93 3.45 -1.32 -1.26 -5.06 115.64 112.79 1pwq s THR 199 Ca 0.00 -0.34 -0.11 0.00 -1.21 0.00 0.00 61.69 60.03 1pwq s THR 199 Cb 0.00 -2.93 0.11 0.00 -1.51 0.00 0.00 72.50 68.17 1pwq s THR 199 CO 0.00 0.00 0.90 0.47 -2.21 0.00 0.00 174.62 173.78 1pwq n ASP 200 N -2.93 -0.47 -4.59 8.08 8.00 -1.26 -4.87 116.55 118.51 1pwq n ASP 200 Ca 0.10 0.39 -0.43 0.00 0.71 0.00 0.00 54.79 55.57 1pwq n ASP 200 Cb 0.60 -1.39 -0.02 0.00 -0.02 0.00 0.00 41.12 40.29 1pwq n ASP 200 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1pwq s PHE 201 N -2.54 2.57 0.28 1.24 0.40 -1.26 -5.00 117.98 113.66 1pwq s PHE 201 Ca 0.64 0.60 -0.26 0.00 -0.60 0.00 0.00 56.93 57.30 1pwq s PHE 201 Cb -0.23 -4.42 -0.09 0.00 0.51 0.00 0.00 43.02 38.79 1pwq s PHE 201 CO 0.61 -1.64 0.91 -1.54 0.70 0.00 0.00 175.22 174.26 1pwq s SER 202 N 3.27 7.41 0.39 1.36 1.04 -1.26 -4.88 113.70 121.02 1pwq s SER 202 Ca 0.51 1.81 0.21 0.00 0.48 0.00 0.00 55.95 58.97 1pwq s SER 202 Cb -0.09 -2.57 1.25 0.00 0.10 0.00 0.00 66.02 64.71 1pwq s SER 202 CO 0.30 0.03 1.65 0.58 0.98 0.00 0.00 173.24 176.78 1pwq h VAL 203 N 2.84 0.21 -0.36 5.02 2.07 -1.97 5.25 116.25 129.30 1pwq h VAL 203 Ca -0.46 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.05 1pwq h VAL 203 Cb 1.20 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1pwq h VAL 203 CO 0.66 0.04 0.25 -0.33 0.02 0.00 0.00 177.57 178.20 1pwq h GLU 204 N 0.19 0.21 -0.36 1.57 3.07 -2.01 0.15 114.58 117.40 1pwq h GLU 204 Ca 0.77 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 59.51 1pwq h GLU 204 Cb 2.07 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.92 1pwq h GLU 204 CO -0.54 0.14 -0.21 0.35 -1.40 0.00 0.00 179.01 177.35 1pwq h PHE 205 N 0.21 0.78 0.00 4.33 3.04 1.02 -1.52 116.94 124.80 1pwq h PHE 205 Ca 0.16 -0.16 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1pwq h PHE 205 Cb 0.37 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 38.69 1pwq h PHE 205 CO -0.00 0.84 -0.00 1.25 -2.02 0.00 0.00 178.31 178.38 1pwq h LEU 206 N 0.61 0.00 0.12 0.59 5.85 -0.58 -0.14 115.31 121.76 1pwq h LEU 206 Ca 0.09 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.53 1pwq h LEU 206 Cb 0.68 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1pwq h LEU 206 CO 0.05 0.00 -1.29 -0.08 -0.34 0.00 0.00 178.44 176.78 1pwq h GLU 207 N 0.00 0.25 0.00 1.25 4.81 -1.08 -2.96 114.58 116.85 1pwq h GLU 207 Ca -0.00 -0.43 -0.27 0.00 -0.13 0.00 0.00 59.36 58.53 1pwq h GLU 207 Cb 0.01 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 1pwq h GLU 207 CO 0.00 1.18 -2.03 1.04 -0.73 0.00 0.00 179.01 178.47 1pwq n GLN 208 N -3.50 0.66 -0.13 1.92 1.13 -0.69 -4.45 117.38 112.33 1pwq n GLN 208 Ca -0.10 0.06 0.07 0.00 -1.94 0.00 0.00 57.00 55.09 1pwq n GLN 208 Cb 1.02 -1.62 0.13 0.00 0.11 0.00 0.00 30.24 29.88 1pwq n GLN 208 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1pwq n ASN 209 N -2.76 2.58 -0.34 1.08 3.02 -0.15 -4.83 115.26 113.86 1pwq n ASN 209 Ca -0.22 -2.72 0.07 0.00 -0.03 0.00 0.00 54.58 51.69 1pwq n ASN 209 Cb 1.00 -0.33 0.16 0.00 -0.61 0.00 0.00 39.78 40.01 1pwq n ASN 209 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1pwq n SER 210 N -0.88 -0.30 0.24 6.41 3.41 -1.12 0.81 113.62 122.19 1pwq n SER 210 Ca 0.13 1.66 0.14 0.00 -0.26 0.00 0.00 58.87 60.53 1pwq n SER 210 Cb 0.57 -0.52 0.60 0.00 -0.26 0.00 0.00 64.21 64.59 1pwq n SER 210 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1pwq h ASN 211 N 0.00 0.00 0.09 4.04 -1.07 -1.88 -0.57 115.58 116.20 1pwq h ASN 211 Ca 0.49 0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.49 1pwq h ASN 211 Cb 0.80 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.00 1pwq h ASN 211 CO -0.98 0.00 -2.22 -0.62 0.07 0.00 0.00 177.43 173.68 1pwq n GLU 212 N -2.99 0.69 0.15 4.14 -0.58 0.24 -3.89 120.64 118.40 1pwq n GLU 212 Ca 0.02 0.18 -0.13 0.00 -0.42 0.00 0.00 57.16 56.81 1pwq n GLU 212 Cb 0.66 -1.61 -0.08 0.00 -0.57 0.00 0.00 31.44 29.83 1pwq n GLU 212 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1pwq h VAL 213 N 0.02 0.74 -0.62 2.62 2.07 -0.88 -2.75 116.25 117.45 1pwq h VAL 213 Ca -0.49 -0.55 0.13 0.00 0.82 0.00 0.00 66.70 66.61 1pwq h VAL 213 Cb 2.01 1.03 -0.11 0.00 -1.52 0.00 0.00 31.29 32.70 1pwq h VAL 213 CO 0.00 0.11 -0.02 1.56 0.02 0.00 0.00 177.57 179.24 1pwq h GLN 214 N -0.69 0.09 -0.89 1.57 4.20 -1.55 0.30 115.11 118.14 1pwq h GLN 214 Ca -0.04 -0.01 0.16 0.00 0.06 0.00 0.00 58.65 58.83 1pwq h GLN 214 Cb 0.48 -0.02 -0.16 0.00 0.30 0.00 0.00 27.48 28.08 1pwq h GLN 214 CO 0.06 0.06 -0.29 1.49 -0.67 0.00 0.00 178.83 179.49 1pwq h GLU 215 N 0.09 -0.02 -0.01 1.46 4.57 -1.62 -1.03 114.58 118.02 1pwq h GLU 215 Ca 0.32 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.50 1pwq h GLU 215 Cb 0.53 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1pwq h GLU 215 CO -0.55 -0.01 0.00 0.28 -1.18 0.00 0.00 179.01 177.54 1pwq h VAL 216 N -0.02 1.19 -0.61 0.32 2.07 -0.16 -2.47 116.25 116.57 1pwq h VAL 216 Ca 0.38 -0.57 0.18 0.00 0.82 0.00 0.00 66.70 67.51 1pwq h VAL 216 Cb 0.63 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1pwq h VAL 216 CO -0.92 0.15 0.60 0.15 0.02 0.00 0.00 177.57 177.58 1pwq h PHE 217 N -0.21 0.00 0.19 1.57 3.57 -0.30 -1.21 116.94 120.56 1pwq h PHE 217 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1pwq h PHE 217 Cb 0.24 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1pwq h PHE 217 CO 0.01 0.00 -0.09 0.00 -2.23 0.00 0.00 178.31 175.99 1pwq h ALA 218 N 1.37 -0.26 -0.74 2.41 0.00 -0.88 -2.88 119.26 118.28 1pwq h ALA 218 Ca 0.29 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 55.16 1pwq h ALA 218 Cb 1.49 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 19.25 1pwq h ALA 218 CO -0.00 -0.32 0.03 0.87 0.00 0.00 0.00 179.25 179.83 1pwq h LYS 219 N -0.91 0.12 -0.55 0.00 1.57 -1.06 0.76 116.57 116.50 1pwq h LYS 219 Ca -0.03 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.85 1pwq h LYS 219 Cb 0.50 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1pwq h LYS 219 CO 0.04 0.08 0.37 0.00 -0.57 0.00 0.00 179.45 179.37 1pwq h ALA 220 N 1.69 2.10 0.37 3.86 0.00 -1.44 -2.11 119.26 123.73 1pwq h ALA 220 Ca 0.41 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 1pwq h ALA 220 Cb 0.72 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1pwq h ALA 220 CO -0.64 -0.23 -0.18 0.35 0.00 0.00 0.00 179.25 178.56 1pwq h PHE 221 N 0.31 -0.46 -0.87 0.00 3.57 0.74 -2.87 116.94 117.37 1pwq h PHE 221 Ca 0.25 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.82 1pwq h PHE 221 Cb 0.59 0.15 -0.11 0.00 2.79 0.00 0.00 35.95 39.37 1pwq h PHE 221 CO -0.00 -0.28 -0.57 0.00 -2.23 0.00 0.00 178.31 175.23 1pwq h ALA 222 N -1.54 -0.57 -0.83 2.41 0.00 -1.10 0.37 119.26 118.00 1pwq h ALA 222 Ca -0.05 0.10 0.17 0.00 0.00 0.00 0.00 54.91 55.13 1pwq h ALA 222 Cb 0.38 1.33 -0.11 0.00 0.00 0.00 0.00 17.79 19.39 1pwq h ALA 222 CO 0.08 -0.96 0.36 1.88 0.00 0.00 0.00 179.25 180.62 1pwq h TYR 223 N -0.07 0.62 -0.16 0.00 -1.99 -1.50 0.97 116.97 114.85 1pwq h TYR 223 Ca 0.14 0.04 -0.13 0.00 2.00 0.00 0.00 58.73 60.78 1pwq h TYR 223 Cb 0.43 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 1pwq h TYR 223 CO -0.98 0.05 -0.44 -0.92 -0.00 0.00 0.00 178.16 175.87 1pwq h TYR 224 N 0.47 0.46 0.00 4.88 3.20 -0.65 -2.39 116.97 122.94 1pwq h TYR 224 Ca 0.48 -0.14 -0.03 0.00 3.14 0.00 0.00 58.73 62.19 1pwq h TYR 224 Cb 0.80 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.97 1pwq h TYR 224 CO -0.14 0.77 -0.11 0.82 -1.64 0.00 0.00 178.16 177.85 1pwq h ILE 225 N 0.31 1.62 -2.07 1.81 1.08 0.31 -3.42 117.51 117.15 1pwq h ILE 225 Ca 0.02 -1.96 -0.51 0.00 -0.39 0.00 0.00 64.86 62.03 1pwq h ILE 225 Cb 0.91 2.91 -0.03 0.00 -3.07 0.00 0.00 36.82 37.54 1pwq h ILE 225 CO 0.08 0.52 1.36 -0.70 -0.69 0.00 0.00 178.15 178.71 1pwq s GLU 226 N -2.98 2.70 0.00 2.37 -6.30 0.30 -4.94 118.70 109.85 1pwq s GLU 226 Ca -0.17 0.77 0.00 0.00 -2.50 0.00 0.00 54.97 53.07 1pwq s GLU 226 Cb -0.01 -4.37 0.00 0.00 0.00 0.00 0.00 34.13 29.75 1pwq s GLU 226 CO 0.71 -2.64 0.04 -2.30 0.02 0.00 0.00 175.26 171.09 1pwq n PRO 227 N 9.06 0.00 -0.46 4.30 -0.02 -1.26 -0.91 135.00 145.71 1pwq n PRO 227 Ca 0.22 0.04 0.38 0.00 -2.02 0.00 0.00 63.50 62.12 1pwq n PRO 227 Cb 0.52 -0.22 0.66 0.00 -0.02 0.00 0.00 33.50 34.44 1pwq n PRO 227 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1pwq h GLN 228 N 0.00 0.06 0.00 -0.52 1.08 -1.92 1.61 115.11 115.42 1pwq h GLN 228 Ca 0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1pwq h GLN 228 Cb 0.00 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 1pwq h GLN 228 CO 0.00 0.04 0.00 0.72 -0.95 0.00 0.00 178.83 178.64 1pwq n HIS 229 N -4.69 0.00 -0.12 2.96 8.25 -0.09 -3.39 115.22 118.14 1pwq n HIS 229 Ca 0.38 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.72 1pwq n HIS 229 Cb 1.49 -0.33 -0.03 0.00 1.12 0.00 0.00 29.99 32.24 1pwq n HIS 229 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1pwq h ARG 230 N 0.00 0.77 -0.44 -0.41 2.43 0.30 -2.95 114.38 114.09 1pwq h ARG 230 Ca 0.00 -0.35 -0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1pwq h ARG 230 Cb 0.28 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1pwq h ARG 230 CO 0.00 0.97 0.27 -0.44 -1.51 0.00 0.00 179.97 179.26 1pwq h ASP 231 N 0.56 0.52 -0.88 -3.80 3.45 -1.67 -1.58 116.42 113.01 1pwq h ASP 231 Ca 0.08 -0.04 0.10 0.00 0.43 0.00 0.00 57.03 57.60 1pwq h ASP 231 Cb 0.75 -0.13 -0.06 0.00 -0.56 0.00 0.00 39.33 39.32 1pwq h ASP 231 CO 0.06 0.40 0.57 0.58 -1.57 0.00 0.00 179.24 179.28 1pwq h VAL 232 N 0.58 0.95 -0.51 -1.35 2.07 -1.72 -0.42 116.25 115.86 1pwq h VAL 232 Ca 0.16 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 1pwq h VAL 232 Cb -0.03 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 1pwq h VAL 232 CO -0.03 0.16 -0.05 0.25 0.02 0.00 0.00 177.57 177.91 1pwq h LEU 233 N 0.86 0.88 -1.03 2.57 6.46 -1.16 -1.72 115.31 122.16 1pwq h LEU 233 Ca 0.41 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 1pwq h LEU 233 Cb 0.44 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1pwq h LEU 233 CO -0.18 0.97 0.00 1.67 -0.62 0.00 0.00 178.44 180.28 1pwq n GLN 234 N -4.18 1.64 -0.04 1.25 7.27 -0.26 -1.43 117.38 121.64 1pwq n GLN 234 Ca 0.02 -0.73 -0.05 0.00 0.07 0.00 0.00 57.00 56.30 1pwq n GLN 234 Cb 0.35 -1.33 -0.03 0.00 2.41 0.00 0.00 30.24 31.64 1pwq n GLN 234 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1pwq n LEU 235 N 0.10 2.48 0.00 1.69 7.94 -0.67 -4.78 117.00 123.75 1pwq n LEU 235 Ca 0.07 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 1pwq n LEU 235 Cb 0.27 -0.24 0.00 0.00 0.53 0.00 0.00 43.42 43.99 1pwq n LEU 235 CO 0.06 0.52 0.43 -1.22 -1.11 0.00 0.00 177.39 176.06 1pwq n TYR 236 N -2.83 0.00 -4.03 1.96 4.01 -0.76 -4.93 117.16 110.58 1pwq n TYR 236 Ca -0.13 -0.35 -0.32 0.00 -0.16 0.00 0.00 57.90 56.94 1pwq n TYR 236 Cb 0.62 -0.04 -0.15 0.00 -0.31 0.00 0.00 39.34 39.47 1pwq n TYR 236 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pwq s ALA 237 N -0.71 2.71 0.00 -0.72 0.00 -0.51 -3.45 121.76 119.08 1pwq s ALA 237 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 51.96 49.91 1pwq s ALA 237 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.35 1pwq s ALA 237 CO 0.00 -1.39 0.00 -2.30 0.00 0.00 0.00 175.76 172.07 1pwq n PRO 238 N 4.39 0.00 0.20 0.00 -0.02 -1.26 -4.07 135.00 134.24 1pwq n PRO 238 Ca -0.08 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.49 1pwq n PRO 238 Cb 0.42 0.00 0.33 0.00 -0.02 0.00 0.00 33.50 34.23 1pwq n PRO 238 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1pwq h GLU 239 N 0.00 0.00 -1.15 -0.52 4.57 -1.96 -3.25 114.58 112.28 1pwq h GLU 239 Ca 0.00 0.00 0.34 0.00 -1.18 0.00 0.00 59.36 58.52 1pwq h GLU 239 Cb 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 28.48 1pwq h GLU 239 CO 0.00 0.26 0.73 0.00 -1.18 0.00 0.00 179.01 178.82 1pwq h ALA 240 N 1.74 2.40 0.36 2.92 0.00 -1.84 0.36 119.26 125.21 1pwq h ALA 240 Ca -0.00 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1pwq h ALA 240 Cb 0.92 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1pwq h ALA 240 CO 0.03 -0.92 -0.17 0.35 0.00 0.00 0.00 179.25 178.54 1pwq h PHE 241 N 0.26 -0.45 -0.28 0.00 3.04 -1.70 -3.22 116.94 114.58 1pwq h PHE 241 Ca 0.70 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.72 1pwq h PHE 241 Cb 1.95 0.15 -0.01 0.00 2.56 0.00 0.00 35.95 40.60 1pwq h PHE 241 CO -0.00 -0.17 0.68 -0.91 -2.02 0.00 0.00 178.31 175.89 1pwq h ASN 242 N -1.04 0.00 0.41 0.41 4.21 -0.56 0.65 115.58 119.66 1pwq h ASN 242 Ca -0.05 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.44 1pwq h ASN 242 Cb 0.49 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.69 1pwq h ASN 242 CO 0.08 0.00 -0.19 0.22 -1.29 0.00 0.00 177.43 176.25 1pwq h TYR 243 N 0.00 -0.50 -0.28 1.19 5.03 -1.00 -2.53 116.97 118.87 1pwq h TYR 243 Ca 0.13 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.48 1pwq h TYR 243 Cb 1.50 0.17 -0.05 0.00 1.55 0.00 0.00 36.73 39.90 1pwq h TYR 243 CO 0.00 -0.31 -0.01 0.52 -1.32 0.00 0.00 178.16 177.04 1pwq h MET 244 N -1.04 0.08 -0.52 1.82 0.00 -1.00 0.46 114.93 114.73 1pwq h MET 244 Ca -0.06 -0.00 0.09 0.00 0.00 0.00 0.00 59.70 59.73 1pwq h MET 244 Cb 0.42 -0.02 -0.10 0.00 0.00 0.00 0.00 31.60 31.90 1pwq h MET 244 CO 0.09 0.05 -0.40 0.22 0.00 0.00 0.00 176.91 176.87 1pwq h ASP 245 N 0.08 -1.37 0.79 1.22 -0.00 -1.22 0.62 116.42 116.54 1pwq h ASP 245 Ca 0.13 0.23 -0.04 0.00 -0.00 0.00 0.00 57.03 57.36 1pwq h ASP 245 Cb 0.18 0.63 0.01 0.00 -0.00 0.00 0.00 39.33 40.15 1pwq h ASP 245 CO -0.23 -0.34 -0.38 0.50 -0.00 0.00 0.00 179.24 178.79 1pwq h LYS 246 N -0.24 -1.03 -0.20 0.28 3.64 -0.92 -3.12 116.57 114.98 1pwq h LYS 246 Ca 0.18 0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.69 1pwq h LYS 246 Cb 0.56 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1pwq h LYS 246 CO -0.64 -0.69 0.42 0.35 -2.27 0.00 0.00 179.45 176.62 1pwq h PHE 247 N -1.27 0.00 -0.03 1.91 3.57 0.48 -1.02 116.94 120.58 1pwq h PHE 247 Ca -0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1pwq h PHE 247 Cb 0.82 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1pwq h PHE 247 CO 0.00 0.00 -0.07 0.09 -2.23 0.00 0.00 178.31 176.11 1pwq n ASN 248 N -3.25 2.72 0.00 0.41 3.02 0.21 -2.70 115.26 115.67 1pwq n ASN 248 Ca 0.03 -1.86 0.00 0.00 -0.03 0.00 0.00 54.58 52.72 1pwq n ASN 248 Cb 0.53 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 1pwq n ASN 248 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pwq n GLU 249 N 1.06 1.45 0.00 3.52 -0.58 -0.72 -4.89 120.64 120.47 1pwq n GLU 249 Ca 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1pwq n GLU 249 Cb 0.54 -0.95 0.00 0.00 -0.57 0.00 0.00 31.44 30.46 1pwq n GLU 249 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pwq n GLN 250 N -2.18 0.41 -0.67 3.49 10.64 -0.47 -4.84 117.38 123.77 1pwq n GLN 250 Ca 0.00 0.00 0.03 0.00 -1.83 0.00 0.00 57.00 55.20 1pwq n GLN 250 Cb 0.45 -0.88 0.27 0.00 -0.86 0.00 0.00 30.24 29.23 1pwq n GLN 250 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1pwq n GLU 251 N -2.17 3.60 -0.08 2.61 -0.58 -1.13 -4.30 120.64 118.58 1pwq n GLU 251 Ca 0.00 -2.23 -0.21 0.00 -0.42 0.00 0.00 57.16 54.30 1pwq n GLU 251 Cb 0.38 -2.03 -0.12 0.00 -0.57 0.00 0.00 31.44 29.10 1pwq n GLU 251 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1pwq h ILE 252 N 2.63 0.97 -0.22 -3.67 6.09 -1.78 -3.39 117.51 118.14 1pwq h ILE 252 Ca 0.05 -2.23 0.06 0.00 -1.37 0.00 0.00 64.86 61.36 1pwq h ILE 252 Cb 1.64 2.39 -0.06 0.00 0.47 0.00 0.00 36.82 41.25 1pwq h ILE 252 CO 0.40 0.43 -0.17 0.78 -3.07 0.00 0.00 178.15 176.52 1pwq h ASN 253 N -0.83 -0.55 0.00 2.19 2.35 -1.88 0.36 115.58 117.22 1pwq h ASN 253 Ca -0.32 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1pwq h ASN 253 Cb 1.39 0.27 0.00 0.00 0.05 0.00 0.00 38.32 40.04 1pwq h ASN 253 CO -0.14 -0.21 0.22 0.18 -1.65 0.00 0.00 177.43 175.83 1pwq n LEU 254 N -5.32 0.00 -0.09 1.61 4.77 -1.26 0.44 117.00 117.15 1pwq n LEU 254 Ca -0.01 0.16 -0.18 0.00 -0.03 0.00 0.00 56.01 55.95 1pwq n LEU 254 Cb 0.24 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1pwq n LEU 254 CO 0.18 -0.16 -1.03 -1.20 -1.33 0.00 0.00 177.39 173.85 1pwq n SER 255 N -1.09 1.40 -0.34 -1.43 7.64 0.12 -3.75 113.62 116.17 1pwq n SER 255 Ca 0.00 0.24 0.26 0.00 1.01 0.00 0.00 58.87 60.38 1pwq n SER 255 Cb 0.22 -0.57 0.55 0.00 -1.01 0.00 0.00 64.21 63.40 1pwq n SER 255 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1pwq h LEU 256 N -0.68 0.38 0.75 -3.43 7.12 0.68 0.37 115.31 120.50 1pwq h LEU 256 Ca -0.40 0.09 -0.04 0.00 0.13 0.00 0.00 57.88 57.66 1pwq h LEU 256 Cb 1.29 0.03 0.01 0.00 -0.53 0.00 0.00 40.66 41.46 1pwq h LEU 256 CO -0.24 0.03 -0.36 -0.08 -0.13 0.00 0.00 178.44 177.66 1pwq h GLU 257 N 0.31 -0.97 -0.87 1.25 4.57 -0.21 -0.18 114.58 118.48 1pwq h GLU 257 Ca 0.63 0.07 0.21 0.00 -1.18 0.00 0.00 59.36 59.09 1pwq h GLU 257 Cb 1.74 0.22 -0.12 0.00 -0.16 0.00 0.00 28.75 30.42 1pwq h GLU 257 CO -0.30 -0.63 0.35 0.93 -1.18 0.00 0.00 179.01 178.17 1pwq h GLU 258 N -1.22 0.37 0.28 1.92 5.08 -0.77 0.68 114.58 120.92 1pwq h GLU 258 Ca -0.10 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1pwq h GLU 258 Cb 0.79 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1pwq h GLU 258 CO 0.17 0.24 -0.39 1.25 -1.00 0.00 0.00 179.01 179.28 1pwq h LEU 259 N 0.38 -1.12 -1.82 1.33 6.46 -0.20 -0.80 115.31 119.55 1pwq h LEU 259 Ca 0.53 0.10 0.17 0.00 -0.12 0.00 0.00 57.88 58.56 1pwq h LEU 259 Cb 0.99 0.38 -0.02 0.00 -0.73 0.00 0.00 40.66 41.29 1pwq h LEU 259 CO -0.53 -0.48 0.61 0.11 -0.62 0.00 0.00 178.44 177.53 1pwq h LYS 260 N -0.70 0.00 -1.16 1.25 1.57 0.20 -0.31 116.57 117.42 1pwq h LYS 260 Ca -0.03 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.48 1pwq h LYS 260 Cb 0.64 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.81 1pwq h LYS 260 CO -0.11 0.00 0.34 -3.47 -0.57 0.00 0.00 179.45 175.64 1pwq n ASP 261 N -3.67 4.26 0.00 0.86 -0.08 0.15 -3.14 116.55 114.94 1pwq n ASP 261 Ca 0.11 -2.84 0.00 0.00 -1.51 0.00 0.00 54.79 50.56 1pwq n ASP 261 Cb 0.82 -0.78 0.00 0.00 2.34 0.00 0.00 41.12 43.51 1pwq n ASP 261 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pwq n GLN 262 N -0.08 1.03 -3.31 -0.67 6.02 -0.13 -4.87 117.38 115.37 1pwq n GLN 262 Ca 0.28 -0.01 -0.38 0.00 -0.01 0.00 0.00 57.00 56.88 1pwq n GLN 262 Cb 0.91 -0.12 -0.06 0.00 1.02 0.00 0.00 30.24 31.99 1pwq n GLN 262 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1pwq s ARG 263 N -0.15 4.22 0.00 -1.09 0.52 -1.19 -5.05 118.95 116.22 1pwq s ARG 263 Ca 0.00 0.58 0.00 0.00 -0.52 0.00 0.00 55.73 55.79 1pwq s ARG 263 Cb 0.00 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 32.14 1pwq s ARG 263 CO 0.00 0.42 0.26 -0.12 0.02 0.00 0.00 175.30 175.87 1pwq n MET 264 N 2.66 0.00 -0.22 3.54 0.00 -1.26 -1.65 117.12 120.18 1pwq n MET 264 Ca -0.09 0.00 0.21 0.00 -0.00 0.00 0.00 57.70 57.82 1pwq n MET 264 Cb 0.51 -0.72 0.37 0.00 0.00 0.00 0.00 33.22 33.38 1pwq n MET 264 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1pwq n LEU 265 N -0.38 0.17 -0.03 -0.89 7.99 -1.26 0.25 117.00 122.84 1pwq n LEU 265 Ca 0.00 0.90 -0.14 0.00 -0.01 0.00 0.00 56.01 56.75 1pwq n LEU 265 Cb 0.00 -0.44 -0.09 0.00 -0.11 0.00 0.00 43.42 42.78 1pwq n LEU 265 CO 0.00 -0.99 0.48 -1.28 -1.51 0.00 0.00 177.39 174.09 1pwq h SER 266 N 0.00 0.33 -0.99 -1.43 0.87 -1.90 0.39 113.55 110.81 1pwq h SER 266 Ca 0.50 -0.62 0.23 0.00 -1.23 0.00 0.00 61.79 60.67 1pwq h SER 266 Cb 1.46 -0.10 -0.12 0.00 -0.44 0.00 0.00 62.40 63.20 1pwq h SER 266 CO -0.37 0.90 0.58 -0.09 -0.53 0.00 0.00 176.83 177.31 1pwq h ARG 267 N -0.22 0.59 0.00 2.24 2.43 0.42 0.11 114.38 119.95 1pwq h ARG 267 Ca -0.01 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 1pwq h ARG 267 Cb 0.87 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1pwq h ARG 267 CO 0.05 0.39 -1.34 0.66 -1.51 0.00 0.00 179.97 178.22 1pwq n TYR 268 N -4.87 0.73 0.02 2.20 4.01 -0.93 -3.04 117.16 115.28 1pwq n TYR 268 Ca 0.26 0.22 -0.10 0.00 -0.16 0.00 0.00 57.90 58.12 1pwq n TYR 268 Cb 0.69 -0.89 -0.03 0.00 -0.31 0.00 0.00 39.34 38.80 1pwq n TYR 268 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1pwq h GLU 269 N 0.00 -0.27 -0.03 -0.72 4.81 0.22 -1.00 114.58 117.59 1pwq h GLU 269 Ca -0.05 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1pwq h GLU 269 Cb 1.15 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 1pwq h GLU 269 CO 0.01 -0.18 0.01 -0.22 -0.73 0.00 0.00 179.01 177.90 1pwq h LYS 270 N -0.28 0.04 0.01 1.92 3.64 -1.12 -2.58 116.57 118.20 1pwq h LYS 270 Ca 0.09 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1pwq h LYS 270 Cb 0.40 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1pwq h LYS 270 CO -0.25 0.26 -0.34 2.35 -2.27 0.00 0.00 179.45 179.19 1pwq h TRP 271 N -0.18 -1.01 -0.56 1.91 2.91 -1.43 -0.43 115.95 117.16 1pwq h TRP 271 Ca 0.01 0.03 0.13 0.00 1.13 0.00 0.00 58.89 60.19 1pwq h TRP 271 Cb 0.24 0.44 -0.03 0.00 -0.51 0.00 0.00 29.16 29.30 1pwq h TRP 271 CO 0.00 -0.37 0.39 0.93 -1.03 0.00 0.00 178.44 178.36 1pwq h GLU 272 N -0.44 0.17 -0.66 2.65 4.39 -1.26 0.87 114.58 120.31 1pwq h GLU 272 Ca 0.01 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1pwq h GLU 272 Cb 0.46 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 1pwq h GLU 272 CO -0.22 0.12 0.26 -0.22 -1.16 0.00 0.00 179.01 177.78 1pwq h LYS 273 N 0.18 0.98 0.04 2.33 3.64 -0.82 0.68 116.57 123.60 1pwq h LYS 273 Ca 0.26 -0.18 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 1pwq h LYS 273 Cb 0.80 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1pwq h LYS 273 CO -0.04 0.82 -0.32 0.82 -2.27 0.00 0.00 179.45 178.46 1pwq h ILE 274 N 0.93 1.62 -0.98 2.00 2.04 0.98 -3.08 117.51 121.03 1pwq h ILE 274 Ca 0.22 -2.25 0.30 0.00 1.00 0.00 0.00 64.86 64.13 1pwq h ILE 274 Cb 0.21 3.11 -0.15 0.00 -0.74 0.00 0.00 36.82 39.25 1pwq h ILE 274 CO -0.02 0.61 0.49 0.50 0.00 0.00 0.00 178.15 179.73 1pwq h LYS 275 N -0.64 0.29 0.57 2.37 3.64 0.67 0.11 116.57 123.58 1pwq h LYS 275 Ca -0.05 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1pwq h LYS 275 Cb 1.18 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1pwq h LYS 275 CO 0.06 0.19 -0.27 0.37 -2.27 0.00 0.00 179.45 177.53 1pwq h GLN 276 N 0.30 -0.73 -0.21 1.90 4.15 -0.89 -0.86 115.11 118.76 1pwq h GLN 276 Ca 0.69 0.05 0.06 0.00 0.77 0.00 0.00 58.65 60.22 1pwq h GLN 276 Cb 1.54 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 29.39 1pwq h GLN 276 CO -0.62 -0.43 0.60 1.25 -1.93 0.00 0.00 178.83 177.71 1pwq h HIS 277 N -0.95 0.00 -0.09 3.99 2.76 -0.89 1.68 115.15 121.65 1pwq h HIS 277 Ca -0.08 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 1pwq h HIS 277 Cb 0.64 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.60 1pwq h HIS 277 CO -0.00 0.00 0.00 0.66 -1.30 0.00 0.00 177.93 177.29 1pwq n TYR 278 N -3.03 0.11 0.16 5.26 4.02 -0.98 -4.63 117.16 118.07 1pwq n TYR 278 Ca 0.03 -0.11 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1pwq n TYR 278 Cb 0.70 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.01 1pwq n TYR 278 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1pwq n GLN 279 N 0.62 0.16 0.00 -0.72 -0.06 0.57 -0.12 117.38 117.84 1pwq n GLN 279 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.08 1pwq n GLN 279 Cb 0.32 -1.08 0.00 0.00 -4.06 0.00 0.00 30.24 25.42 1pwq n GLN 279 CO 0.00 0.00 0.00 1.58 -0.20 0.00 0.00 177.06 178.44 1pwq n HIS 280 N 0.41 0.00 0.16 3.69 -0.00 -1.26 -4.49 115.22 113.73 1pwq n HIS 280 Ca 0.00 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.11 1pwq n HIS 280 Cb 0.04 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.88 1pwq n HIS 280 CO 0.00 0.00 0.00 2.35 0.46 0.00 0.00 176.34 179.15 1pwq h TRP 281 N 0.00 -0.43 -0.11 1.57 7.01 -0.84 -3.19 115.95 119.96 1pwq h TRP 281 Ca 0.00 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.02 1pwq h TRP 281 Cb 0.55 0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.75 1pwq h TRP 281 CO 0.00 -0.27 0.20 1.03 -2.79 0.00 0.00 178.44 176.61 1pwq h SER 282 N -1.00 0.00 -0.23 2.65 0.87 -1.58 0.12 113.55 114.38 1pwq h SER 282 Ca -0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1pwq h SER 282 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1pwq h SER 282 CO 0.08 0.00 0.00 -0.67 -0.53 0.00 0.00 176.83 175.71 1pwq n ASP 283 N -3.46 1.46 -3.07 6.23 2.03 -1.21 -4.25 116.55 114.28 1pwq n ASP 283 Ca 0.00 -2.04 -0.18 0.00 0.52 0.00 0.00 54.79 53.09 1pwq n ASP 283 Cb 0.30 -0.22 -0.04 0.00 -0.72 0.00 0.00 41.12 40.44 1pwq n ASP 283 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1pwq n SER 284 N 0.20 -1.18 -3.82 1.67 7.64 0.43 -4.99 113.62 113.57 1pwq n SER 284 Ca 0.08 -2.80 -0.18 0.00 1.01 0.00 0.00 58.87 56.98 1pwq n SER 284 Cb 0.25 0.28 -0.16 0.00 -1.01 0.00 0.00 64.21 63.57 1pwq n SER 284 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1pwq s LEU 285 N -0.53 1.09 0.64 -3.43 1.43 -1.26 -4.95 118.68 111.67 1pwq s LEU 285 Ca 0.33 -0.04 -0.18 0.00 -1.03 0.00 0.00 54.13 53.21 1pwq s LEU 285 Cb 0.13 -0.27 -0.01 0.00 0.03 0.00 0.00 46.19 46.07 1pwq s LEU 285 CO -0.16 -0.11 1.31 -0.94 0.23 0.00 0.00 176.35 176.68 1pwq s SER 286 N 1.14 4.64 0.00 2.29 1.04 -1.26 -4.73 113.70 116.82 1pwq s SER 286 Ca -0.08 2.65 0.09 0.00 0.48 0.00 0.00 55.95 59.09 1pwq s SER 286 Cb -0.13 -2.62 0.53 0.00 0.10 0.00 0.00 66.02 63.89 1pwq s SER 286 CO -0.02 -1.98 0.96 1.21 0.98 0.00 0.00 173.24 174.39 1pwq n GLU 287 N -1.83 0.45 -0.09 4.02 4.07 -1.26 0.15 120.64 126.15 1pwq n GLU 287 Ca 0.15 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.18 1pwq n GLU 287 Cb 0.48 -1.31 -0.16 0.00 -0.06 0.00 0.00 31.44 30.39 1pwq n GLU 287 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1pwq n GLU 288 N -0.81 0.80 0.28 5.31 4.07 -1.26 -3.85 120.64 125.18 1pwq n GLU 288 Ca 0.07 -0.03 -0.12 0.00 -0.06 0.00 0.00 57.16 57.02 1pwq n GLU 288 Cb 0.03 -1.50 -0.06 0.00 -0.06 0.00 0.00 31.44 29.85 1pwq n GLU 288 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 1pwq h GLY 289 N 3.85 -0.79 0.20 8.31 0.00 0.11 -1.48 103.07 113.26 1pwq h GLY 289 Ca -0.48 0.29 0.10 0.00 0.00 0.00 0.00 47.33 47.24 1pwq h GLY 289 CO 0.03 -0.29 0.07 3.21 0.00 0.00 0.00 176.54 179.56 1pwq h ARG 290 N -1.19 0.19 -0.18 4.80 3.08 -1.56 0.35 114.38 119.88 1pwq h ARG 290 Ca -0.08 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.01 1pwq h ARG 290 Cb 0.58 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1pwq h ARG 290 CO 0.13 0.13 0.16 0.78 -1.07 0.00 0.00 179.97 180.09 1pwq h GLY 291 N 0.19 0.00 0.91 0.04 0.00 -1.66 -0.29 103.07 102.26 1pwq h GLY 291 Ca 0.28 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.42 1pwq h GLY 291 CO -0.40 0.00 -0.75 -2.00 0.00 0.00 0.00 176.54 173.39 1pwq h LEU 292 N 0.00 0.64 0.90 3.11 6.46 0.73 -2.19 115.31 124.96 1pwq h LEU 292 Ca 0.08 -0.76 -0.04 0.00 -0.12 0.00 0.00 57.88 57.04 1pwq h LEU 292 Cb 0.41 -0.20 0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1pwq h LEU 292 CO -0.00 1.33 -0.45 -0.07 -0.62 0.00 0.00 178.44 178.62 1pwq h LEU 293 N 0.03 -1.09 -0.07 2.25 3.38 0.32 -2.67 115.31 117.46 1pwq h LEU 293 Ca -0.10 0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1pwq h LEU 293 Cb 1.45 0.29 -0.06 0.00 0.09 0.00 0.00 40.66 42.43 1pwq h LEU 293 CO 0.15 -0.75 -0.44 0.11 0.09 0.00 0.00 178.44 177.60 1pwq h LYS 294 N -1.23 -0.52 -0.93 1.13 6.56 -1.25 -0.89 116.57 119.44 1pwq h LYS 294 Ca -0.12 0.04 0.17 0.00 -1.06 0.00 0.00 60.65 59.68 1pwq h LYS 294 Cb 0.95 0.12 -0.17 0.00 -0.57 0.00 0.00 32.23 32.56 1pwq h LYS 294 CO 0.19 -0.35 -0.27 1.17 -2.06 0.00 0.00 179.45 178.12 1pwq n LYS 295 N -5.44 -0.13 -0.33 3.15 4.81 -0.82 0.24 118.16 119.64 1pwq n LYS 295 Ca -0.05 1.45 0.09 0.00 -0.87 0.00 0.00 58.31 58.93 1pwq n LYS 295 Cb 0.37 -2.16 0.30 0.00 0.02 0.00 0.00 35.03 33.56 1pwq n LYS 295 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1pwq h LEU 296 N 0.00 0.82 -0.16 3.14 6.46 -0.82 -2.35 115.31 122.40 1pwq h LEU 296 Ca 0.41 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 58.20 1pwq h LEU 296 Cb 0.64 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.45 1pwq h LEU 296 CO -0.95 0.41 0.04 1.56 -0.62 0.00 0.00 178.44 178.88 1pwq h GLN 297 N 0.87 0.26 -5.15 1.25 4.20 0.37 -3.43 115.11 113.48 1pwq h GLN 297 Ca 0.49 -0.06 -0.67 0.00 0.06 0.00 0.00 58.65 58.47 1pwq h GLN 297 Cb 0.61 -0.03 -0.34 0.00 0.30 0.00 0.00 27.48 28.01 1pwq h GLN 297 CO -0.25 0.41 -0.87 0.96 -0.67 0.00 0.00 178.83 178.41 1pwq s ILE 298 N -5.28 2.01 0.04 2.54 -5.25 -0.84 -5.12 121.20 109.31 1pwq s ILE 298 Ca -0.14 -0.95 -0.01 0.00 -0.99 0.00 0.00 60.65 58.57 1pwq s ILE 298 Cb 0.06 -1.78 0.01 0.00 2.95 0.00 0.00 42.46 43.70 1pwq s ILE 298 CO 0.71 0.54 0.02 -2.65 -1.79 0.00 0.00 174.94 171.77 1pwq n PRO 299 N 4.13 -1.52 -3.23 0.37 -0.02 -1.26 -4.68 135.00 128.79 1pwq n PRO 299 Ca -0.20 -0.04 -0.01 0.00 -2.02 0.00 0.00 63.50 61.23 1pwq n PRO 299 Cb 0.51 -0.06 -0.02 0.00 -0.02 0.00 0.00 33.50 33.92 1pwq n PRO 299 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1pwq s ILE 300 N -0.90 -0.91 0.15 4.25 -4.36 -1.20 -4.97 121.20 113.27 1pwq s ILE 300 Ca 0.02 -0.14 -0.34 0.00 -0.26 0.00 0.00 60.65 59.93 1pwq s ILE 300 Cb -0.00 -0.13 -0.14 0.00 1.25 0.00 0.00 42.46 43.44 1pwq s ILE 300 CO 0.02 -0.08 1.60 -0.62 0.24 0.00 0.00 174.94 176.10 1pwq n GLU 301 N 4.43 2.20 -2.01 0.37 4.71 -1.26 -3.38 120.64 125.71 1pwq n GLU 301 Ca 0.11 0.80 -0.41 0.00 -0.01 0.00 0.00 57.16 57.64 1pwq n GLU 301 Cb 0.55 -2.58 -0.02 0.00 -1.01 0.00 0.00 31.44 28.39 1pwq n GLU 301 CO 0.00 0.00 0.00 -2.14 0.09 0.00 0.00 177.13 175.08 1pwq s PRO 302 N 1.10 4.27 0.51 3.49 0.02 -1.26 -4.99 135.00 138.14 1pwq s PRO 302 Ca 0.79 2.32 -0.23 0.00 0.02 0.00 0.00 61.00 63.91 1pwq s PRO 302 Cb -0.66 -3.07 -0.06 0.00 0.02 0.00 0.00 34.50 30.72 1pwq s PRO 302 CO 0.38 -0.36 1.35 0.15 -0.33 0.00 0.00 177.00 178.19 1pwq s LYS 303 N -1.14 3.37 0.02 5.54 1.02 -1.26 -4.97 119.74 122.32 1pwq s LYS 303 Ca 0.55 2.22 -0.06 0.00 0.02 0.00 0.00 55.97 58.70 1pwq s LYS 303 Cb -0.42 -2.39 -0.03 0.00 -0.52 0.00 0.00 37.83 34.48 1pwq s LYS 303 CO 0.50 -1.00 1.10 0.87 -0.92 0.00 0.00 175.35 175.90 1pwq h LYS 304 N 1.78 -0.14 -0.62 1.68 6.56 -2.01 -2.96 116.57 120.86 1pwq h LYS 304 Ca -0.51 0.01 0.19 0.00 -1.06 0.00 0.00 60.65 59.28 1pwq h LYS 304 Cb 1.28 0.03 -0.12 0.00 -0.57 0.00 0.00 32.23 32.86 1pwq h LYS 304 CO 0.59 -0.09 0.08 -3.47 -2.06 0.00 0.00 179.45 174.50 1pwq n ASP 305 N -2.96 -0.01 -0.12 0.86 -0.08 -1.26 0.23 116.55 113.21 1pwq n ASP 305 Ca -0.02 1.06 -0.10 0.00 -1.51 0.00 0.00 54.79 54.22 1pwq n ASP 305 Cb 0.08 -0.41 -0.02 0.00 2.34 0.00 0.00 41.12 43.10 1pwq n ASP 305 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1pwq h ASP 306 N 0.00 0.60 0.46 1.67 5.19 -1.91 -2.87 116.42 119.55 1pwq h ASP 306 Ca 0.41 -0.28 -0.01 0.00 -0.62 0.00 0.00 57.03 56.53 1pwq h ASP 306 Cb 0.91 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.25 1pwq h ASP 306 CO -0.56 0.72 -0.39 0.40 -3.12 0.00 0.00 179.24 176.29 1pwq h ILE 307 N 0.45 0.21 -0.32 0.35 1.08 -0.18 -2.20 117.51 116.90 1pwq h ILE 307 Ca 0.11 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.61 1pwq h ILE 307 Cb 0.40 0.21 -0.06 0.00 -3.07 0.00 0.00 36.82 34.30 1pwq h ILE 307 CO 0.01 0.00 -0.37 0.40 -0.69 0.00 0.00 178.15 177.50 1pwq h ILE 308 N -0.85 0.00 -0.91 -0.67 1.08 -1.52 -1.40 117.51 113.25 1pwq h ILE 308 Ca -0.05 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.50 1pwq h ILE 308 Cb 0.73 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.42 1pwq h ILE 308 CO -0.02 0.00 0.56 -0.74 -0.69 0.00 0.00 178.15 177.26 1pwq h HIS 309 N -0.23 1.03 -0.03 1.37 2.76 -1.52 -1.17 115.15 117.36 1pwq h HIS 309 Ca 0.05 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1pwq h HIS 309 Cb 0.38 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.01 1pwq h HIS 309 CO -0.72 0.49 0.00 0.45 -1.30 0.00 0.00 177.93 176.85 1pwq n SER 310 N -4.62 0.20 0.05 3.26 2.88 -0.83 -3.87 113.62 110.69 1pwq n SER 310 Ca 0.14 -1.63 -0.09 0.00 -1.33 0.00 0.00 58.87 55.96 1pwq n SER 310 Cb 0.22 -0.02 -0.13 0.00 -0.75 0.00 0.00 64.21 63.54 1pwq n SER 310 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1pwq h LEU 311 N 0.25 0.06 0.00 2.46 4.07 -0.10 -3.50 115.31 118.55 1pwq h LEU 311 Ca 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1pwq h LEU 311 Cb 0.05 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1pwq h LEU 311 CO 0.00 1.06 0.00 -0.24 -1.08 0.00 0.00 178.44 178.18 1pwq n SER 312 N -3.31 0.00 0.00 -0.43 2.88 -1.25 -4.30 113.62 107.21 1pwq n SER 312 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1pwq n SER 312 Cb 0.97 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.43 1pwq n SER 312 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pwq n GLN 313 N -0.45 0.00 0.25 -1.46 6.02 -1.26 -1.99 117.38 118.49 1pwq n GLN 313 Ca 0.00 0.17 0.07 0.00 -0.01 0.00 0.00 57.00 57.23 1pwq n GLN 313 Cb 0.00 -1.09 0.60 0.00 1.02 0.00 0.00 30.24 30.77 1pwq n GLN 313 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1pwq h GLU 314 N 0.00 0.01 -0.09 -1.09 4.81 -1.99 -2.32 114.58 113.91 1pwq h GLU 314 Ca 0.00 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1pwq h GLU 314 Cb 0.00 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1pwq h GLU 314 CO 0.00 0.05 -0.11 0.93 -0.73 0.00 0.00 179.01 179.15 1pwq h GLU 315 N 0.01 0.23 -0.19 1.92 5.08 -1.76 -1.71 114.58 118.16 1pwq h GLU 315 Ca 0.00 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1pwq h GLU 315 Cb 0.08 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1pwq h GLU 315 CO 0.01 0.68 0.11 -0.22 -1.00 0.00 0.00 179.01 178.58 1pwq h LYS 316 N -0.21 0.22 -0.55 2.33 3.64 -1.24 -1.54 116.57 119.22 1pwq h LYS 316 Ca 0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1pwq h LYS 316 Cb 0.65 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 1pwq h LYS 316 CO 0.03 0.14 0.35 1.05 -2.27 0.00 0.00 179.45 178.75 1pwq h GLU 317 N 0.23 0.73 -0.25 1.90 4.11 -1.45 -2.15 114.58 117.69 1pwq h GLU 317 Ca 0.08 -0.05 -0.10 0.00 0.07 0.00 0.00 59.36 59.36 1pwq h GLU 317 Cb 0.00 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1pwq h GLU 317 CO -0.04 0.49 -0.24 -0.07 0.07 0.00 0.00 179.01 179.22 1pwq h LEU 318 N 0.75 0.64 -1.87 3.06 3.38 -0.96 -3.06 115.31 117.24 1pwq h LEU 318 Ca 0.20 -0.47 0.43 0.00 0.09 0.00 0.00 57.88 58.13 1pwq h LEU 318 Cb -0.07 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.43 1pwq h LEU 318 CO -0.04 0.98 1.03 0.25 0.09 0.00 0.00 178.44 180.75 1pwq h LEU 319 N 0.32 0.07 -1.64 1.67 7.12 -0.60 -1.56 115.31 120.69 1pwq h LEU 319 Ca 0.04 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.08 1pwq h LEU 319 Cb 0.79 0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.92 1pwq h LEU 319 CO 0.06 -0.02 0.24 0.11 -0.13 0.00 0.00 178.44 178.70 1pwq h LYS 320 N 0.04 0.48 -2.17 1.25 1.57 -1.46 -3.33 116.57 112.95 1pwq h LYS 320 Ca 0.72 -0.03 -0.59 0.00 -1.87 0.00 0.00 60.65 58.89 1pwq h LYS 320 Cb 2.75 -0.11 -0.41 0.00 0.08 0.00 0.00 32.23 34.54 1pwq h LYS 320 CO -0.08 0.32 -0.75 0.54 -0.57 0.00 0.00 179.45 178.91 1pwq n ARG 321 N -4.48 1.94 -3.47 3.15 3.00 -0.58 -5.00 116.66 111.22 1pwq n ARG 321 Ca 0.02 -4.23 -0.29 0.00 -0.01 0.00 0.00 57.85 53.35 1pwq n ARG 321 Cb 0.06 -1.95 -0.12 0.00 0.00 0.00 0.00 32.46 30.45 1pwq n ARG 321 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1pwq s ILE 322 N -2.03 0.14 -0.49 0.55 1.01 -1.25 -5.07 121.20 114.06 1pwq s ILE 322 Ca 0.38 -1.67 -0.29 0.00 0.00 0.00 0.00 60.65 59.07 1pwq s ILE 322 Cb 0.15 -1.12 -0.10 0.00 0.01 0.00 0.00 42.46 41.41 1pwq s ILE 322 CO -0.05 -0.98 2.38 1.67 0.00 0.00 0.00 174.94 177.97 1pwq n GLN 323 N 4.09 1.07 -0.26 2.79 7.27 -1.26 -4.75 117.38 126.32 1pwq n GLN 323 Ca 0.11 0.14 -0.05 0.00 0.07 0.00 0.00 57.00 57.28 1pwq n GLN 323 Cb 0.37 -2.96 0.06 0.00 2.41 0.00 0.00 30.24 30.12 1pwq n GLN 323 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1pwq h ILE 324 N 7.54 1.20 0.00 1.69 1.08 -1.98 -2.54 117.51 124.50 1pwq h ILE 324 Ca -0.25 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 63.80 1pwq h ILE 324 Cb 1.28 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 35.21 1pwq h ILE 324 CO 1.13 0.20 0.00 0.47 -0.69 0.00 0.00 178.15 179.27 1pwq n ASP 325 N -4.54 0.00 -1.24 1.72 8.00 -1.26 -1.74 116.55 117.48 1pwq n ASP 325 Ca 0.06 0.08 0.08 0.00 0.71 0.00 0.00 54.79 55.73 1pwq n ASP 325 Cb 0.04 -0.08 0.27 0.00 -0.02 0.00 0.00 41.12 41.33 1pwq n ASP 325 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1pwq n SER 326 N -1.06 3.62 -4.80 -2.24 2.88 -0.96 -4.92 113.62 106.14 1pwq n SER 326 Ca 0.00 -2.27 -0.25 0.00 -1.33 0.00 0.00 58.87 55.02 1pwq n SER 326 Cb 0.00 -0.48 -0.05 0.00 -0.75 0.00 0.00 64.21 62.94 1pwq n SER 326 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1pwq s SER 327 N -0.84 5.51 -0.22 -3.46 1.04 -0.71 -4.71 113.70 110.31 1pwq s SER 327 Ca 0.39 -0.15 -0.16 0.00 0.48 0.00 0.00 55.95 56.50 1pwq s SER 327 Cb 0.24 -1.43 -0.12 0.00 0.10 0.00 0.00 66.02 64.81 1pwq s SER 327 CO 0.21 0.05 -0.14 -0.67 0.98 0.00 0.00 173.24 173.67 1pwq n ASP 328 N -0.49 1.90 -2.95 7.02 -0.08 -1.26 -4.94 116.55 115.74 1pwq n ASP 328 Ca -0.08 0.42 0.00 0.00 -1.51 0.00 0.00 54.79 53.61 1pwq n ASP 328 Cb 0.55 -0.86 0.00 0.00 2.34 0.00 0.00 41.12 43.15 1pwq n ASP 328 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1pwq n PHE 329 N -4.41 -2.15 -2.99 -0.67 -0.00 -1.26 -4.66 117.46 101.33 1pwq n PHE 329 Ca -0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.10 1pwq n PHE 329 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.14 1pwq n PHE 329 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1pwq n LEU 330 N 0.00 -7.05 -4.36 5.98 4.77 -1.26 -4.95 117.00 110.13 1pwq n LEU 330 Ca 0.00 0.08 -0.33 0.00 -0.03 0.00 0.00 56.01 55.73 1pwq n LEU 330 Cb 0.00 -3.32 0.11 0.00 -2.33 0.00 0.00 43.42 37.88 1pwq n LEU 330 CO 0.00 -1.43 -0.27 -1.20 -1.33 0.00 0.00 177.39 173.16 1pwq n SER 331 N -1.39 -2.63 -0.19 -1.43 7.64 -1.26 -4.24 113.62 110.12 1pwq n SER 331 Ca 0.03 0.30 -0.05 0.00 1.01 0.00 0.00 58.87 60.16 1pwq n SER 331 Cb 0.49 -1.14 -0.05 0.00 -1.01 0.00 0.00 64.21 62.50 1pwq n SER 331 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1pwq n THR 332 N -3.47 -0.31 -0.33 0.44 -2.24 -1.26 -1.01 114.28 106.10 1pwq n THR 332 Ca 0.05 1.42 -0.02 0.00 -2.27 0.00 0.00 64.05 63.23 1pwq n THR 332 Cb 0.54 -1.78 0.02 0.00 -2.10 0.00 0.00 70.33 67.01 1pwq n THR 332 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pwq n GLU 333 N -4.17 -0.22 0.06 -0.78 -0.58 -1.26 -1.98 120.64 111.71 1pwq n GLU 333 Ca 0.01 1.29 -0.02 0.00 -0.42 0.00 0.00 57.16 58.02 1pwq n GLU 333 Cb 0.12 -1.92 -0.01 0.00 -0.57 0.00 0.00 31.44 29.06 1pwq n GLU 333 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1pwq h GLU 334 N 0.00 -0.14 -0.64 3.49 5.08 -1.36 -3.31 114.58 117.70 1pwq h GLU 334 Ca 0.28 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.74 1pwq h GLU 334 Cb 0.49 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.66 1pwq h GLU 334 CO -0.83 -0.10 -0.45 1.57 -1.00 0.00 0.00 179.01 178.20 1pwq h LYS 335 N -0.16 -0.19 0.00 2.33 2.10 -1.38 0.53 116.57 119.80 1pwq h LYS 335 Ca -0.02 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1pwq h LYS 335 Cb 0.11 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 1pwq h LYS 335 CO 0.02 -0.13 0.01 0.39 -2.00 0.00 0.00 179.45 177.74 1pwq n GLU 336 N -5.40 0.00 -0.07 0.07 1.02 -0.84 0.34 120.64 115.76 1pwq n GLU 336 Ca 0.02 0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 57.02 1pwq n GLU 336 Cb 0.34 -1.51 -0.05 0.00 -0.02 0.00 0.00 31.44 30.21 1pwq n GLU 336 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1pwq n PHE 337 N -0.81 0.00 0.26 -0.32 7.35 0.18 -4.43 117.46 119.69 1pwq n PHE 337 Ca 0.00 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.85 1pwq n PHE 337 Cb 0.01 -0.52 0.87 0.00 0.35 0.00 0.00 39.48 40.18 1pwq n PHE 337 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1pwq h LEU 338 N -0.62 0.00 -0.65 -2.13 3.38 0.55 -0.86 115.31 114.99 1pwq h LEU 338 Ca -0.30 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1pwq h LEU 338 Cb 1.14 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 1pwq h LEU 338 CO -0.18 0.00 0.35 0.50 0.09 0.00 0.00 178.44 179.20 1pwq h LYS 339 N 0.00 0.91 0.00 1.13 3.64 -0.72 -2.66 116.57 118.88 1pwq h LYS 339 Ca 0.04 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1pwq h LYS 339 Cb 0.21 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1pwq h LYS 339 CO -0.00 0.69 0.05 0.87 -2.27 0.00 0.00 179.45 178.79 1pwq h LYS 340 N 0.89 0.00 -0.14 1.90 1.57 -1.36 -1.88 116.57 117.54 1pwq h LYS 340 Ca 0.23 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.78 1pwq h LYS 340 Cb 0.06 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.38 1pwq h LYS 340 CO -0.03 0.00 -0.80 -0.07 -0.57 0.00 0.00 179.45 177.97 1pwq h LEU 341 N 0.00 0.92 -1.20 2.94 3.38 -1.58 -2.01 115.31 117.76 1pwq h LEU 341 Ca 0.00 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 1pwq h LEU 341 Cb 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1pwq h LEU 341 CO 0.00 1.42 0.35 1.56 0.09 0.00 0.00 178.44 181.86 1pwq h GLN 342 N 0.52 0.90 0.00 1.13 4.20 -1.47 0.15 115.11 120.54 1pwq h GLN 342 Ca -0.06 -0.10 -0.10 0.00 0.06 0.00 0.00 58.65 58.45 1pwq h GLN 342 Cb 1.43 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 1pwq h GLN 342 CO 0.16 0.67 -0.47 0.82 -0.67 0.00 0.00 178.83 179.34 1pwq h ILE 343 N 0.91 0.83 0.00 2.54 2.04 -1.58 -3.19 117.51 119.07 1pwq h ILE 343 Ca 0.23 -2.11 -0.09 0.00 1.00 0.00 0.00 64.86 63.89 1pwq h ILE 343 Cb 0.03 2.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1pwq h ILE 343 CO -0.04 0.46 -0.84 0.44 0.00 0.00 0.00 178.15 178.17 1pwq h ASP 344 N 0.00 0.00 0.24 1.72 5.19 -1.05 -3.29 116.42 119.22 1pwq h ASP 344 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1pwq h ASP 344 Cb 1.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.83 1pwq h ASP 344 CO 0.06 0.35 0.00 -0.38 -3.12 0.00 0.00 179.24 176.16 1pwq n ILE 345 N -2.98 0.49 -2.26 0.35 2.08 0.01 -5.09 119.36 111.97 1pwq n ILE 345 Ca -0.02 0.12 -0.34 0.00 0.56 0.00 0.00 62.75 63.07 1pwq n ILE 345 Cb 0.70 -0.88 -0.00 0.00 -0.75 0.00 0.00 39.64 38.71 1pwq n ILE 345 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1pwq s ARG 346 N -2.48 3.39 -0.20 0.38 0.52 -1.24 -5.09 118.95 114.22 1pwq s ARG 346 Ca 0.15 1.51 -0.21 0.00 -0.52 0.00 0.00 55.73 56.66 1pwq s ARG 346 Cb 0.10 -2.02 -0.18 0.00 0.52 0.00 0.00 34.95 33.37 1pwq s ARG 346 CO 0.22 -0.80 0.23 1.03 0.02 0.00 0.00 175.30 176.01 1pwq h SER 365 N 1.11 0.00 0.00 0.23 0.87 -2.05 -3.53 113.55 110.18 1pwq h SER 365 Ca -0.49 -0.51 -0.20 0.00 -1.23 0.00 0.00 61.79 59.35 1pwq h SER 365 Cb 1.25 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.18 1pwq h SER 365 CO 0.57 1.38 -1.70 0.59 -0.53 0.00 0.00 176.83 177.15 1pwq n ASN 366 N -4.47 1.42 -4.72 6.23 3.02 -1.26 -5.03 115.26 110.46 1pwq n ASN 366 Ca -0.28 0.10 -0.42 0.00 -0.03 0.00 0.00 54.58 53.95 1pwq n ASN 366 Cb 0.63 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.44 1pwq n ASN 366 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1pwq s PRO 367 N -2.23 4.17 0.00 3.52 0.02 -1.26 -4.91 135.00 134.31 1pwq s PRO 367 Ca -0.17 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.33 1pwq s PRO 367 Cb 0.06 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.43 1pwq s PRO 367 CO 0.23 -0.69 0.00 -0.11 -0.33 0.00 0.00 177.00 176.10 1pwq n LEU 368 N 4.10 0.00 0.00 -5.54 7.94 -1.26 -5.15 117.00 117.08 1pwq n LEU 368 Ca 0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 1pwq n LEU 368 Cb 0.37 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.32 1pwq n LEU 368 CO 0.63 0.00 0.00 -1.54 -1.11 0.00 0.00 177.39 175.37 1pwq n SER 369 N 0.00 0.00 0.15 1.96 3.41 -1.26 -5.01 113.62 112.87 1pwq n SER 369 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1pwq n SER 369 Cb 0.00 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.19 1pwq n SER 369 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1pwq h GLU 370 N 0.00 0.00 0.00 4.33 5.08 -2.01 -0.99 114.58 120.99 1pwq h GLU 370 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1pwq h GLU 370 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1pwq h GLU 370 CO 0.00 0.00 -0.49 -0.22 -1.00 0.00 0.00 179.01 177.30 1pwq h LYS 371 N 0.00 0.00 0.03 2.33 1.63 -2.01 -2.92 116.57 115.64 1pwq h LYS 371 Ca 0.00 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 1pwq h LYS 371 Cb 0.88 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.51 1pwq h LYS 371 CO 0.00 0.27 -0.18 0.93 -3.45 0.00 0.00 179.45 177.03 1pwq h GLU 372 N 0.00 0.07 -0.97 1.90 5.08 -1.94 -3.30 114.58 115.42 1pwq h GLU 372 Ca -0.02 -0.11 0.26 0.00 -1.00 0.00 0.00 59.36 58.49 1pwq h GLU 372 Cb 1.25 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.41 1pwq h GLU 372 CO 0.04 1.04 0.53 -0.22 -1.00 0.00 0.00 179.01 179.39 1pwq h LYS 373 N -0.84 0.43 -0.66 2.33 1.63 -1.21 0.68 116.57 118.92 1pwq h LYS 373 Ca -0.03 -0.03 0.10 0.00 -0.85 0.00 0.00 60.65 59.85 1pwq h LYS 373 Cb 1.12 -0.10 -0.12 0.00 -0.60 0.00 0.00 32.23 32.54 1pwq h LYS 373 CO 0.03 0.29 -0.39 1.49 -3.45 0.00 0.00 179.45 177.42 1pwq h GLU 374 N 0.44 -0.15 0.08 1.90 4.81 -1.59 0.26 114.58 120.33 1pwq h GLU 374 Ca 0.65 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.90 1pwq h GLU 374 Cb 1.32 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.69 1pwq h GLU 374 CO -0.54 -0.10 -0.48 0.35 -0.73 0.00 0.00 179.01 177.51 1pwq h PHE 375 N -0.16 -1.38 -0.87 0.92 3.57 -1.01 0.12 116.94 118.12 1pwq h PHE 375 Ca 0.23 0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.89 1pwq h PHE 375 Cb 0.56 0.59 -0.08 0.00 2.79 0.00 0.00 35.95 39.81 1pwq h PHE 375 CO -0.72 -0.53 0.49 -0.07 -2.23 0.00 0.00 178.31 175.26 1pwq h LEU 376 N -0.66 0.67 -0.95 0.59 3.38 -1.35 0.22 115.31 117.21 1pwq h LEU 376 Ca -0.00 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.14 1pwq h LEU 376 Cb 0.67 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.29 1pwq h LEU 376 CO -0.27 0.34 0.58 0.11 0.09 0.00 0.00 178.44 179.29 1pwq h LYS 377 N 0.76 0.92 0.09 1.13 1.57 0.74 -0.27 116.57 121.52 1pwq h LYS 377 Ca 0.45 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1pwq h LYS 377 Cb 0.52 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1pwq h LYS 377 CO -0.30 0.61 -0.04 0.87 -0.57 0.00 0.00 179.45 180.02 1pwq h LYS 378 N 0.95 -0.12 -0.82 3.15 1.57 0.19 -3.21 116.57 118.29 1pwq h LYS 378 Ca 0.46 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 59.40 1pwq h LYS 378 Cb 0.42 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.70 1pwq h LYS 378 CO -0.25 0.33 0.54 -0.07 -0.57 0.00 0.00 179.45 179.43 1pwq h LEU 379 N -0.62 0.47 -1.34 2.94 3.38 -0.49 0.22 115.31 119.88 1pwq h LEU 379 Ca -0.01 0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.18 1pwq h LEU 379 Cb 0.50 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 1pwq h LEU 379 CO 0.02 0.23 0.61 0.50 0.09 0.00 0.00 178.44 179.89 1pwq h LYS 380 N 0.50 0.53 -0.00 1.13 3.64 -1.06 0.25 116.57 121.55 1pwq h LYS 380 Ca 0.41 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1pwq h LYS 380 Cb 0.86 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1pwq h LYS 380 CO -0.15 0.35 -0.02 -0.11 -2.27 0.00 0.00 179.45 177.25 1pwq n LEU 381 N -4.59 0.03 -0.04 5.20 0.00 0.76 -3.58 117.00 114.78 1pwq n LEU 381 Ca 0.21 0.35 -0.01 0.00 0.00 0.00 0.00 56.01 56.55 1pwq n LEU 381 Cb 0.65 -0.36 -0.10 0.00 0.00 0.00 0.00 43.42 43.60 1pwq n LEU 381 CO 0.28 0.01 -0.82 0.47 0.00 0.00 0.00 177.39 177.33 1pwq n ASP 382 N -1.36 1.92 -1.87 1.96 8.00 0.70 -4.61 116.55 121.30 1pwq n ASP 382 Ca 0.11 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.44 1pwq n ASP 382 Cb 0.28 1.10 0.06 0.00 -0.02 0.00 0.00 41.12 42.55 1pwq n ASP 382 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1pwq n ILE 383 N -2.28 2.68 -3.85 0.53 -5.35 -0.24 -4.87 119.36 105.98 1pwq n ILE 383 Ca -0.14 -1.59 -0.36 0.00 -0.27 0.00 0.00 62.75 60.40 1pwq n ILE 383 Cb 0.70 -1.11 -0.13 0.00 -1.74 0.00 0.00 39.64 37.36 1pwq n ILE 383 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1pwq s GLN 384 N -2.02 3.56 0.13 6.28 -1.52 -1.26 -4.96 119.66 119.87 1pwq s GLN 384 Ca 0.35 -0.53 -0.33 0.00 -1.95 0.00 0.00 55.36 52.89 1pwq s GLN 384 Cb 0.28 -3.19 -0.13 0.00 -0.22 0.00 0.00 33.01 29.75 1pwq s GLN 384 CO 0.02 -0.16 1.67 -2.30 -0.25 0.00 0.00 175.29 174.27 1pwq n PRO 385 N 4.77 2.32 -1.76 2.91 -0.02 -1.26 -4.74 135.00 137.21 1pwq n PRO 385 Ca -0.17 0.84 -0.40 0.00 -2.02 0.00 0.00 63.50 61.75 1pwq n PRO 385 Cb 0.51 -2.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.32 1pwq n PRO 385 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1pwq s TYR 386 N 1.54 1.37 -0.25 6.00 5.04 -1.22 -4.75 117.35 125.08 1pwq s TYR 386 Ca 0.80 0.96 0.03 0.00 -2.44 0.00 0.00 57.07 56.42 1pwq s TYR 386 Cb -0.63 -3.89 0.06 0.00 0.35 0.00 0.00 41.96 37.85 1pwq s TYR 386 CO 0.39 -2.94 -0.11 0.34 -1.34 0.00 0.00 175.55 171.89 1pwq s ASP 387 N 9.12 4.35 0.01 4.32 -1.08 -1.26 -3.25 116.67 128.88 1pwq s ASP 387 Ca 0.88 -1.35 -0.06 0.00 -0.52 0.00 0.00 52.55 51.50 1pwq s ASP 387 Cb -0.21 -1.51 -0.03 0.00 -1.46 0.00 0.00 42.92 39.71 1pwq s ASP 387 CO 0.29 -0.19 1.08 0.40 0.52 0.00 0.00 175.17 177.27 1pwq h ILE 388 N 6.73 0.00 -0.99 4.11 2.04 -1.90 -1.62 117.51 125.89 1pwq h ILE 388 Ca -0.20 -0.00 0.23 0.00 1.00 0.00 0.00 64.86 65.89 1pwq h ILE 388 Cb 1.05 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.04 1pwq h ILE 388 CO 0.46 0.00 0.64 0.78 0.00 0.00 0.00 178.15 180.03 1pwq h ASN 389 N -0.21 0.46 0.39 1.72 2.35 -1.96 0.20 115.58 118.54 1pwq h ASN 389 Ca -0.02 0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.68 1pwq h ASN 389 Cb 0.16 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1pwq h ASN 389 CO 0.03 0.14 -0.48 -0.61 -1.65 0.00 0.00 177.43 174.86 1pwq h GLN 390 N 0.44 0.11 -0.26 0.81 5.75 -1.94 -2.18 115.11 117.84 1pwq h GLN 390 Ca 0.54 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.92 1pwq h GLN 390 Cb 1.32 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.86 1pwq h GLN 390 CO -0.25 0.57 -0.07 -0.09 -2.65 0.00 0.00 178.83 176.34 1pwq h ARG 391 N 0.09 0.50 -0.46 1.69 9.65 0.40 -2.31 114.38 123.94 1pwq h ARG 391 Ca 0.00 -0.20 -0.05 0.00 -1.10 0.00 0.00 59.98 58.63 1pwq h ARG 391 Cb 0.89 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.42 1pwq h ARG 391 CO 0.07 0.73 0.07 -0.07 2.80 0.00 0.00 179.97 183.56 1pwq h LEU 392 N 0.24 0.67 -0.54 3.80 3.38 -1.29 -1.79 115.31 119.79 1pwq h LEU 392 Ca 0.06 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1pwq h LEU 392 Cb 0.55 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1pwq h LEU 392 CO 0.03 0.69 0.16 -0.61 0.09 0.00 0.00 178.44 178.80 1pwq h GLN 393 N 0.68 0.84 0.44 1.13 4.15 -1.23 0.58 115.11 121.70 1pwq h GLN 393 Ca 0.15 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 1pwq h GLN 393 Cb 0.32 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1pwq h GLN 393 CO 0.00 0.77 -0.21 -0.44 -1.93 0.00 0.00 178.83 177.02 1pwq h ASP 394 N 0.74 -0.50 1.00 -0.69 3.32 -1.01 -3.06 116.42 116.23 1pwq h ASP 394 Ca 0.17 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1pwq h ASP 394 Cb 0.29 0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1pwq h ASP 394 CO -0.00 -0.21 0.00 0.35 -1.72 0.00 0.00 179.24 177.65 1pwq n THR 395 N -5.27 0.52 -3.45 0.35 -2.24 -0.71 -1.93 114.28 101.56 1pwq n THR 395 Ca -0.11 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.47 1pwq n THR 395 Cb 0.29 -0.74 0.07 0.00 -2.10 0.00 0.00 70.33 67.85 1pwq n THR 395 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pwq n GLY 396 N 0.88 -0.38 1.98 3.38 0.00 0.20 -1.33 105.19 109.92 1pwq n GLY 396 Ca 0.05 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1pwq n GLY 396 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwq n GLY 397 N -1.70 3.06 3.23 -0.02 0.00 -0.97 -4.91 105.19 103.88 1pwq n GLY 397 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1pwq n GLY 397 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pwq n LEU 398 N 0.00 4.64 0.26 0.99 4.77 -0.44 -4.70 117.00 122.52 1pwq n LEU 398 Ca 0.00 -3.45 0.16 0.00 -0.03 0.00 0.00 56.01 52.69 1pwq n LEU 398 Cb 0.00 -1.51 0.58 0.00 -2.33 0.00 0.00 43.42 40.16 1pwq n LEU 398 CO 0.00 -0.29 0.95 0.16 -1.33 0.00 0.00 177.39 176.89 1pwq h ILE 399 N 4.99 0.00 -0.55 -0.08 3.07 -1.91 -3.19 117.51 119.83 1pwq h ILE 399 Ca 0.41 -0.59 -0.34 0.00 1.55 0.00 0.00 64.86 65.89 1pwq h ILE 399 Cb 0.77 1.58 -0.17 0.00 -0.27 0.00 0.00 36.82 38.73 1pwq h ILE 399 CO 1.67 0.00 0.44 0.47 -1.05 0.00 0.00 178.15 179.67 1pwq n ASP 400 N -3.05 5.28 -4.61 2.16 10.43 -1.26 -4.90 116.55 120.59 1pwq n ASP 400 Ca 0.01 -3.05 -0.38 0.00 2.57 0.00 0.00 54.79 53.94 1pwq n ASP 400 Cb 0.34 -0.89 -0.10 0.00 1.84 0.00 0.00 41.12 42.31 1pwq n ASP 400 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1pwq s SER 401 N -0.19 6.16 0.00 -2.24 0.01 -1.21 -4.97 113.70 111.27 1pwq s SER 401 Ca 0.34 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.77 1pwq s SER 401 Cb 0.28 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 64.34 1pwq s SER 401 CO 0.02 -0.09 0.10 -0.81 0.41 0.00 0.00 173.24 172.87 1pwq n PRO 402 N 5.01 0.00 0.04 12.44 -0.04 -1.26 -4.07 135.00 147.11 1pwq n PRO 402 Ca -0.12 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.47 1pwq n PRO 402 Cb 0.51 -1.38 0.37 0.00 -0.04 0.00 0.00 33.50 32.97 1pwq n PRO 402 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1pwq n SER 403 N 2.09 0.47 -3.68 3.54 2.88 -1.26 -4.93 113.62 112.73 1pwq n SER 403 Ca 0.00 0.24 -0.14 0.00 -1.33 0.00 0.00 58.87 57.63 1pwq n SER 403 Cb 0.00 -0.22 -0.07 0.00 -0.75 0.00 0.00 64.21 63.17 1pwq n SER 403 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1pwq s ILE 404 N -3.06 0.00 0.77 2.46 -4.36 -1.26 -5.02 121.20 110.73 1pwq s ILE 404 Ca 0.11 -1.82 -0.09 0.00 -0.26 0.00 0.00 60.65 58.59 1pwq s ILE 404 Cb 0.16 -2.50 0.04 0.00 1.25 0.00 0.00 42.46 41.41 1pwq s ILE 404 CO 0.63 0.00 -0.07 0.59 0.24 0.00 0.00 174.94 176.33 1pwq n ASN 405 N -0.96 -2.52 -0.08 4.36 3.02 -1.26 -4.72 115.26 113.11 1pwq n ASN 405 Ca 0.03 -0.15 -0.23 0.00 -0.03 0.00 0.00 54.58 54.20 1pwq n ASN 405 Cb 0.63 -0.61 -0.12 0.00 -0.61 0.00 0.00 39.78 39.07 1pwq n ASN 405 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1pwq n LEU 406 N 1.33 2.25 -0.08 3.41 7.94 -1.26 -2.95 117.00 127.65 1pwq n LEU 406 Ca 0.02 0.28 0.16 0.00 -1.11 0.00 0.00 56.01 55.35 1pwq n LEU 406 Cb 0.24 -0.99 0.56 0.00 0.53 0.00 0.00 43.42 43.77 1pwq n LEU 406 CO 0.16 0.59 1.19 -2.24 -1.11 0.00 0.00 177.39 175.98 1pwq h ASP 407 N -0.54 0.26 0.06 1.96 2.03 -2.01 -2.72 116.42 115.46 1pwq h ASP 407 Ca -0.46 0.01 -0.29 0.00 -0.73 0.00 0.00 57.03 55.56 1pwq h ASP 407 Cb 1.66 -0.04 -0.02 0.00 -0.83 0.00 0.00 39.33 40.09 1pwq h ASP 407 CO -0.14 0.14 -1.57 0.58 -1.03 0.00 0.00 179.24 177.22 1pwq h VAL 408 N 0.28 0.81 -1.05 4.15 2.07 -1.94 -3.30 116.25 117.27 1pwq h VAL 408 Ca 0.30 -2.27 0.28 0.00 0.82 0.00 0.00 66.70 65.82 1pwq h VAL 408 Cb 0.79 2.40 -0.11 0.00 -1.52 0.00 0.00 31.29 32.84 1pwq h VAL 408 CO -0.07 0.60 0.65 -0.09 0.02 0.00 0.00 177.57 178.68 1pwq h ARG 409 N -0.49 0.41 0.00 1.57 2.43 -1.41 0.10 114.38 117.00 1pwq h ARG 409 Ca -0.37 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 58.65 1pwq h ARG 409 Cb 1.65 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 31.09 1pwq h ARG 409 CO -0.06 0.27 -0.58 -0.22 -1.51 0.00 0.00 179.97 177.88 1pwq h LYS 410 N 0.43 0.00 0.31 0.20 3.64 -1.63 -3.21 116.57 116.31 1pwq h LYS 410 Ca 0.64 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 60.00 1pwq h LYS 410 Cb 1.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.33 1pwq h LYS 410 CO -0.38 0.58 -0.15 0.37 -2.27 0.00 0.00 179.45 177.60 1pwq h GLN 411 N 0.00 -0.41 -1.21 1.90 5.75 -1.06 -2.45 115.11 117.63 1pwq h GLN 411 Ca -0.01 0.03 0.42 0.00 -0.15 0.00 0.00 58.65 58.94 1pwq h GLN 411 Cb 1.14 0.09 -0.14 0.00 1.07 0.00 0.00 27.48 29.64 1pwq h GLN 411 CO 0.08 -0.08 0.75 1.88 -2.65 0.00 0.00 178.83 178.80 1pwq h TYR 412 N -0.94 0.65 0.18 3.99 -1.99 -1.57 0.15 116.97 117.43 1pwq h TYR 412 Ca -0.04 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 1pwq h TYR 412 Cb 0.51 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 39.08 1pwq h TYR 412 CO 0.04 -0.26 -0.08 -0.22 -0.00 0.00 0.00 178.16 177.63 1pwq h LYS 413 N 0.10 -0.23 -0.17 4.88 3.64 -1.54 -0.49 116.57 122.76 1pwq h LYS 413 Ca 0.82 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 60.27 1pwq h LYS 413 Cb 2.39 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 34.19 1pwq h LYS 413 CO -0.52 0.18 -0.32 -0.09 -2.27 0.00 0.00 179.45 176.43 1pwq h ARG 414 N -0.77 -0.36 -0.11 1.90 2.43 -0.28 -1.41 114.38 115.79 1pwq h ARG 414 Ca -0.02 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1pwq h ARG 414 Cb 0.52 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.09 1pwq h ARG 414 CO 0.04 -0.24 -0.35 -0.44 -1.51 0.00 0.00 179.97 177.47 1pwq h ASP 415 N -0.37 -1.10 0.31 -3.80 5.19 -1.17 -2.22 116.42 113.27 1pwq h ASP 415 Ca 0.11 0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.66 1pwq h ASP 415 Cb 0.54 0.46 -0.02 0.00 0.18 0.00 0.00 39.33 40.48 1pwq h ASP 415 CO -0.38 -0.39 -0.41 0.40 -3.12 0.00 0.00 179.24 175.34 1pwq h ILE 416 N -0.44 0.00 -0.33 0.35 2.04 -0.48 0.21 117.51 118.85 1pwq h ILE 416 Ca 0.08 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.04 1pwq h ILE 416 Cb 0.58 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1pwq h ILE 416 CO -0.36 0.00 0.40 1.56 0.00 0.00 0.00 178.15 179.76 1pwq h GLN 417 N -0.75 0.00 -0.02 2.37 4.20 -1.29 0.85 115.11 120.46 1pwq h GLN 417 Ca -0.04 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.45 1pwq h GLN 417 Cb 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1pwq h GLN 417 CO -0.11 0.00 -0.91 -0.91 -0.67 0.00 0.00 178.83 176.24 1pwq h ASN 418 N 0.00 0.59 0.21 1.46 2.35 -0.43 -2.82 115.58 116.94 1pwq h ASN 418 Ca 0.16 -0.45 -0.23 0.00 -0.55 0.00 0.00 56.30 55.23 1pwq h ASN 418 Cb 0.96 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 39.16 1pwq h ASN 418 CO -0.00 1.24 -0.92 0.40 -1.65 0.00 0.00 177.43 176.50 1pwq h ILE 419 N 0.28 1.36 -0.46 2.81 2.04 0.36 -2.51 117.51 121.39 1pwq h ILE 419 Ca -0.07 -2.32 0.03 0.00 1.00 0.00 0.00 64.86 63.50 1pwq h ILE 419 Cb 1.53 2.32 -0.02 0.00 -0.74 0.00 0.00 36.82 39.91 1pwq h ILE 419 CO 0.16 0.70 0.31 0.44 0.00 0.00 0.00 178.15 179.76 1pwq h ASP 420 N 0.30 0.45 0.59 1.72 3.32 -0.86 -1.85 116.42 120.09 1pwq h ASP 420 Ca -0.08 -0.01 -0.20 0.00 0.02 0.00 0.00 57.03 56.77 1pwq h ASP 420 Cb 1.55 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.98 1pwq h ASP 420 CO 0.17 0.31 -0.88 0.00 -1.72 0.00 0.00 179.24 177.12 1pwq h ALA 421 N 1.73 0.52 0.00 3.45 0.00 -1.33 -3.01 119.26 120.61 1pwq h ALA 421 Ca 0.19 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1pwq h ALA 421 Cb 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1pwq h ALA 421 CO -0.05 0.92 0.00 1.28 0.00 0.00 0.00 179.25 181.40 1pwq n LEU 422 N -3.65 0.68 -4.13 0.00 4.77 -0.73 -4.05 117.00 109.89 1pwq n LEU 422 Ca -0.04 0.66 -0.37 0.00 -0.03 0.00 0.00 56.01 56.23 1pwq n LEU 422 Cb 0.81 -0.56 -0.07 0.00 -2.33 0.00 0.00 43.42 41.26 1pwq n LEU 422 CO 0.48 -0.54 0.25 -0.76 -1.33 0.00 0.00 177.39 175.48 1pwq s LEU 423 N -4.49 5.55 0.00 2.23 1.43 -1.00 -4.75 118.68 117.65 1pwq s LEU 423 Ca 0.04 -3.33 0.00 0.00 -1.03 0.00 0.00 54.13 49.82 1pwq s LEU 423 Cb 0.09 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.40 1pwq s LEU 423 CO 0.40 -0.28 0.00 0.00 0.23 0.00 0.00 176.35 176.70 1pwq n HIS 424 N 2.88 0.00 -2.95 0.29 1.44 -1.26 -4.79 115.22 110.83 1pwq n HIS 424 Ca 0.16 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.44 1pwq n HIS 424 Cb 0.38 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.44 1pwq n HIS 424 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 1pwq s GLN 425 N -1.12 3.61 0.49 -1.40 2.00 -1.26 -4.93 119.66 117.06 1pwq s GLN 425 Ca 0.00 0.15 -0.20 0.00 -2.00 0.00 0.00 55.36 53.30 1pwq s GLN 425 Cb 0.00 -3.86 -0.08 0.00 0.80 0.00 0.00 33.01 29.87 1pwq s GLN 425 CO 0.00 -0.97 1.07 -1.54 -0.50 0.00 0.00 175.29 173.35 1pwq s SER 426 N 1.97 6.21 0.10 6.67 1.04 -1.26 -1.69 113.70 126.74 1pwq s SER 426 Ca 0.31 2.01 -0.23 0.00 0.48 0.00 0.00 55.95 58.51 1pwq s SER 426 Cb -0.13 -2.57 -0.11 0.00 0.10 0.00 0.00 66.02 63.32 1pwq s SER 426 CO 0.19 -0.88 1.71 -0.29 0.98 0.00 0.00 173.24 174.96 1pwq h ILE 427 N 1.52 0.82 -0.01 -1.02 6.09 -1.49 -3.44 117.51 119.97 1pwq h ILE 427 Ca -0.50 0.00 -0.22 0.00 -1.37 0.00 0.00 64.86 62.78 1pwq h ILE 427 Cb 1.23 0.82 -0.01 0.00 0.47 0.00 0.00 36.82 39.33 1pwq h ILE 427 CO 0.59 0.00 0.36 0.61 -3.07 0.00 0.00 178.15 176.64 1pwq n GLY 428 N -1.19 -0.04 3.44 8.18 0.00 0.10 -4.91 105.19 110.78 1pwq n GLY 428 Ca -0.06 0.32 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 1pwq n GLY 428 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pwq s SER 429 N 1.65 2.34 -0.35 1.61 0.15 -1.26 -5.02 113.70 112.83 1pwq s SER 429 Ca 0.34 -1.63 0.08 0.00 0.70 0.00 0.00 55.95 55.44 1pwq s SER 429 Cb -0.42 0.44 0.62 0.00 -1.71 0.00 0.00 66.02 64.94 1pwq s SER 429 CO 0.19 -0.91 1.70 0.35 1.20 0.00 0.00 173.24 175.77 1pwq n THR 430 N -0.79 2.85 -0.39 6.45 -2.24 -1.26 -4.17 114.28 114.73 1pwq n THR 430 Ca -0.03 -2.16 0.00 0.00 -2.27 0.00 0.00 64.05 59.60 1pwq n THR 430 Cb 0.65 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1pwq n THR 430 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1pwq n LEU 431 N -0.89 0.62 -3.62 3.22 4.77 -1.26 -5.06 117.00 114.78 1pwq n LEU 431 Ca 0.44 -0.62 -0.10 0.00 -0.03 0.00 0.00 56.01 55.70 1pwq n LEU 431 Cb 1.33 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 42.36 1pwq n LEU 431 CO 0.39 0.15 0.72 -0.72 -1.33 0.00 0.00 177.39 176.61 1pwq s TYR 432 N -0.01 -0.47 0.00 -1.77 -0.85 -1.26 -5.07 117.35 107.91 1pwq s TYR 432 Ca 0.00 1.06 0.00 0.00 -0.52 0.00 0.00 57.07 57.61 1pwq s TYR 432 Cb 0.00 0.38 0.00 0.00 0.38 0.00 0.00 41.96 42.72 1pwq s TYR 432 CO 0.00 -0.28 0.00 0.09 -1.52 0.00 0.00 175.55 173.84 1pwq n ASN 433 N 1.81 0.00 -4.77 -0.18 3.02 -1.26 -4.52 115.26 109.36 1pwq n ASN 433 Ca -0.12 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.04 1pwq n ASN 433 Cb 0.56 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.71 1pwq n ASN 433 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1pwq s LYS 434 N 0.38 4.18 -0.17 3.52 1.02 -1.26 -4.96 119.74 122.46 1pwq s LYS 434 Ca 0.00 1.86 0.00 0.00 0.02 0.00 0.00 55.97 57.85 1pwq s LYS 434 Cb 0.00 -2.79 0.03 0.00 -0.52 0.00 0.00 37.83 34.55 1pwq s LYS 434 CO 0.00 -0.21 -0.10 0.42 -0.92 0.00 0.00 175.35 174.54 1pwq s ILE 435 N -1.36 1.42 -0.35 2.17 -1.09 -1.26 -5.07 121.20 115.66 1pwq s ILE 435 Ca 0.54 -0.72 -0.14 0.00 -2.23 0.00 0.00 60.65 58.10 1pwq s ILE 435 Cb -0.31 -1.46 -0.01 0.00 -1.58 0.00 0.00 42.46 39.09 1pwq s ILE 435 CO 0.40 0.26 0.31 -0.31 -1.23 0.00 0.00 174.94 174.37 1pwq s TYR 436 N 1.52 3.22 0.02 3.97 1.51 -1.26 -2.43 117.35 123.90 1pwq s TYR 436 Ca 0.02 -0.18 0.01 0.00 -1.01 0.00 0.00 57.07 55.91 1pwq s TYR 436 Cb -0.15 -2.59 -0.04 0.00 -0.11 0.00 0.00 41.96 39.08 1pwq s TYR 436 CO -0.09 -0.43 0.06 -0.51 -1.11 0.00 0.00 175.55 173.47 1pwq s LEU 437 N 1.86 3.77 0.24 -1.29 1.43 0.34 -4.89 118.68 120.13 1pwq s LEU 437 Ca 0.09 0.06 0.09 0.00 -1.03 0.00 0.00 54.13 53.33 1pwq s LEU 437 Cb -0.17 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 1pwq s LEU 437 CO 0.11 0.25 0.02 -0.31 0.23 0.00 0.00 176.35 176.65 1pwq s TYR 438 N -1.22 2.79 -0.22 0.29 1.51 -0.74 -0.14 117.35 119.62 1pwq s TYR 438 Ca 0.24 -0.19 -0.15 0.00 -1.01 0.00 0.00 57.07 55.96 1pwq s TYR 438 Cb -0.12 -1.27 0.06 0.00 -0.11 0.00 0.00 41.96 40.53 1pwq s TYR 438 CO 0.15 0.58 0.55 -2.00 -1.11 0.00 0.00 175.55 173.72 1pwq s GLU 439 N -3.50 0.57 -0.07 -0.62 2.12 -1.26 -1.21 118.70 114.74 1pwq s GLU 439 Ca 0.30 0.93 -0.04 0.00 0.36 0.00 0.00 54.97 56.52 1pwq s GLU 439 Cb -0.07 0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.41 1pwq s GLU 439 CO 0.20 -0.13 0.11 -0.80 -0.54 0.00 0.00 175.26 174.10 1pwq s ASN 440 N 1.15 6.06 0.05 -1.70 -0.87 -1.26 -0.35 114.94 118.01 1pwq s ASN 440 Ca -0.07 0.33 -0.00 0.00 -1.57 0.00 0.00 52.86 51.55 1pwq s ASN 440 Cb -0.06 -1.88 -0.04 0.00 -0.02 0.00 0.00 41.25 39.26 1pwq s ASN 440 CO -0.11 0.35 -0.04 -0.32 -2.57 0.00 0.00 177.10 174.41 1pwq s MET 441 N -1.31 0.57 -0.30 -0.60 1.75 0.36 -4.98 119.30 114.78 1pwq s MET 441 Ca 0.19 -1.08 -0.13 0.00 -1.25 0.00 0.00 55.69 53.42 1pwq s MET 441 Cb -0.12 0.11 -0.04 0.00 2.84 0.00 0.00 34.83 37.62 1pwq s MET 441 CO 0.08 -0.08 0.25 1.21 -0.65 0.00 0.00 175.02 175.84 1pwq s ASN 442 N -2.56 6.08 0.00 1.11 3.84 -1.26 -1.81 114.94 120.35 1pwq s ASN 442 Ca 0.02 -0.10 0.00 0.00 0.21 0.00 0.00 52.86 52.99 1pwq s ASN 442 Cb 0.03 -2.15 0.00 0.00 -0.55 0.00 0.00 41.25 38.58 1pwq s ASN 442 CO -0.07 -0.15 0.83 0.00 -2.79 0.00 0.00 177.10 174.92 1pwq n ILE 443 N 5.10 1.33 0.16 -5.21 3.06 -1.25 -0.86 119.36 121.69 1pwq n ILE 443 Ca -0.12 0.49 0.01 0.00 -2.50 0.00 0.00 62.75 60.63 1pwq n ILE 443 Cb 0.51 -1.49 0.24 0.00 0.54 0.00 0.00 39.64 39.43 1pwq n ILE 443 CO 0.00 0.00 0.00 0.78 -2.50 0.00 0.00 176.55 174.83 1pwq h ASN 444 N 0.00 0.00 0.00 9.51 2.35 -1.87 -0.21 115.58 125.37 1pwq h ASN 444 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1pwq h ASN 444 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1pwq h ASN 444 CO 0.00 0.52 0.00 0.59 -1.65 0.00 0.00 177.43 176.89 1pwq n ASN 445 N -3.71 0.00 0.00 5.81 3.02 -0.04 -3.50 115.26 116.84 1pwq n ASN 445 Ca -0.01 -1.52 0.00 0.00 -0.03 0.00 0.00 54.58 53.02 1pwq n ASN 445 Cb 0.57 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 1pwq n ASN 445 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1pwq n LEU 446 N -0.69 2.57 -3.01 3.41 4.32 -0.92 -4.84 117.00 117.84 1pwq n LEU 446 Ca 0.08 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 56.09 1pwq n LEU 446 Cb 0.04 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 41.84 1pwq n LEU 446 CO 0.06 0.43 0.28 0.28 -1.22 0.00 0.00 177.39 177.22 1pwq s THR 447 N -1.87 -0.62 0.21 -5.08 -1.32 -0.13 -4.61 115.64 102.21 1pwq s THR 447 Ca 0.00 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.31 1pwq s THR 447 Cb 0.00 -0.05 0.20 0.00 -1.51 0.00 0.00 72.50 71.14 1pwq s THR 447 CO 0.00 0.00 1.59 0.00 -2.21 0.00 0.00 174.62 174.00 1pwq h ALA 448 N 6.35 0.18 -0.99 11.08 0.00 -1.74 -1.59 119.26 132.56 1pwq h ALA 448 Ca 0.00 0.22 0.13 0.00 0.00 0.00 0.00 54.91 55.26 1pwq h ALA 448 Cb 1.20 0.73 -0.14 0.00 0.00 0.00 0.00 17.79 19.58 1pwq h ALA 448 CO 0.02 -0.57 -0.47 0.25 0.00 0.00 0.00 179.25 178.48 1pwq n THR 449 N -5.46 -0.58 0.16 0.00 -2.24 -1.26 -0.34 114.28 104.56 1pwq n THR 449 Ca 0.07 2.34 0.04 0.00 -2.27 0.00 0.00 64.05 64.23 1pwq n THR 449 Cb 0.37 -3.01 0.17 0.00 -2.10 0.00 0.00 70.33 65.77 1pwq n THR 449 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1pwq h LEU 450 N 0.00 0.00 0.00 3.22 3.38 -1.86 -3.21 115.31 116.85 1pwq h LEU 450 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1pwq h LEU 450 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1pwq h LEU 450 CO -0.96 0.44 0.00 0.61 0.09 0.00 0.00 178.44 178.62 1pwq n GLY 451 N 0.79 -0.89 0.59 0.83 0.00 0.54 -0.62 105.19 106.42 1pwq n GLY 451 Ca 0.01 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.12 1pwq n GLY 451 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pwq n ALA 452 N -1.50 2.82 0.00 4.61 0.00 -1.00 -4.21 120.51 121.24 1pwq n ALA 452 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1pwq n ALA 452 Cb 0.13 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1pwq n ALA 452 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1pwq n ASP 453 N 0.35 0.57 -0.25 0.00 9.92 -0.83 -4.84 116.55 121.46 1pwq n ASP 453 Ca 0.14 -0.11 0.29 0.00 -0.53 0.00 0.00 54.79 54.58 1pwq n ASP 453 Cb 0.45 0.33 0.68 0.00 -0.64 0.00 0.00 41.12 41.95 1pwq n ASP 453 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1pwq h LEU 454 N 0.00 0.10 -9.61 0.64 5.85 -1.04 -3.40 115.31 107.86 1pwq h LEU 454 Ca 0.00 0.02 -0.66 0.00 0.84 0.00 0.00 57.88 58.07 1pwq h LEU 454 Cb 0.00 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 40.95 1pwq h LEU 454 CO 0.00 0.03 -0.48 -0.69 -0.34 0.00 0.00 178.44 176.95 1pwq s VAL 455 N -5.09 5.48 -0.68 1.05 1.01 -1.26 -2.36 120.40 118.56 1pwq s VAL 455 Ca -0.06 0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.85 1pwq s VAL 455 Cb 0.23 -3.40 0.03 0.00 0.00 0.00 0.00 36.38 33.24 1pwq s VAL 455 CO 0.79 0.61 1.24 -0.62 0.00 0.00 0.00 175.10 177.11 1pwq s ASP 456 N -0.92 6.27 0.02 3.32 2.15 -1.08 -4.77 116.67 121.65 1pwq s ASP 456 Ca 0.14 -0.26 0.01 0.00 0.43 0.00 0.00 52.55 52.88 1pwq s ASP 456 Cb -0.12 -2.55 0.06 0.00 -0.30 0.00 0.00 42.92 40.01 1pwq s ASP 456 CO 0.04 -1.69 0.07 -1.20 -0.17 0.00 0.00 175.17 172.21 1pwq n SER 457 N 8.97 0.01 -0.10 -0.34 7.64 -1.26 -0.77 113.62 127.77 1pwq n SER 457 Ca 0.05 0.07 -0.21 0.00 1.01 0.00 0.00 58.87 59.78 1pwq n SER 457 Cb 0.49 -0.03 -0.12 0.00 -1.01 0.00 0.00 64.21 63.54 1pwq n SER 457 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1pwq n THR 458 N -2.88 1.57 -3.87 0.44 -2.24 -1.26 -4.75 114.28 101.29 1pwq n THR 458 Ca 0.02 -0.52 -0.30 0.00 -2.27 0.00 0.00 64.05 60.98 1pwq n THR 458 Cb 0.06 -1.63 -0.12 0.00 -2.10 0.00 0.00 70.33 66.54 1pwq n THR 458 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pwq s ASP 459 N -6.85 4.85 0.04 3.42 3.68 0.05 -4.96 116.67 116.89 1pwq s ASP 459 Ca -0.32 -3.51 0.01 0.00 2.13 0.00 0.00 52.55 50.86 1pwq s ASP 459 Cb 0.09 -1.69 0.06 0.00 -1.45 0.00 0.00 42.92 39.93 1pwq s ASP 459 CO 0.62 -0.16 0.74 -0.46 0.13 0.00 0.00 175.17 176.04 1pwq n ASN 460 N 2.48 0.03 -0.03 -0.34 0.23 -1.20 -0.16 115.26 116.25 1pwq n ASN 460 Ca 0.14 0.22 0.12 0.00 -0.53 0.00 0.00 54.58 54.53 1pwq n ASN 460 Cb 0.35 -0.21 0.17 0.00 -2.08 0.00 0.00 39.78 38.01 1pwq n ASN 460 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1pwq n THR 461 N -1.28 0.00 -3.99 5.53 -2.24 -1.26 -4.80 114.28 106.24 1pwq n THR 461 Ca -0.00 -0.02 -0.28 0.00 -2.27 0.00 0.00 64.05 61.49 1pwq n THR 461 Cb 0.33 0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 68.97 1pwq n THR 461 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1pwq s LYS 462 N -2.94 3.22 -0.27 -0.78 1.02 0.77 -2.02 119.74 118.73 1pwq s LYS 462 Ca 0.12 -0.65 -0.10 0.00 0.02 0.00 0.00 55.97 55.35 1pwq s LYS 462 Cb 0.17 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 1pwq s LYS 462 CO 0.72 0.53 0.15 0.42 -0.92 0.00 0.00 175.35 176.25 1pwq s ILE 463 N -1.66 4.99 -0.25 2.17 -1.09 -1.26 -2.65 121.20 121.45 1pwq s ILE 463 Ca 0.33 0.06 -0.28 0.00 -2.23 0.00 0.00 60.65 58.52 1pwq s ILE 463 Cb -0.11 -3.36 -0.06 0.00 -1.58 0.00 0.00 42.46 37.35 1pwq s ILE 463 CO 0.26 0.28 2.24 -3.20 -1.23 0.00 0.00 174.94 173.29 1pwq n ASN 464 N 4.99 3.09 -0.26 3.58 2.85 -1.00 -4.86 115.26 123.66 1pwq n ASN 464 Ca -0.15 0.16 -0.02 0.00 -0.11 0.00 0.00 54.58 54.46 1pwq n ASN 464 Cb 0.52 -1.54 0.04 0.00 1.24 0.00 0.00 39.78 40.04 1pwq n ASN 464 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 1pwq h ARG 465 N 15.24 -0.08 -0.01 1.20 -0.00 -1.96 -2.39 114.38 126.39 1pwq h ARG 465 Ca -0.39 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.10 1pwq h ARG 465 Cb 1.25 0.02 -0.00 0.00 0.00 0.00 0.00 29.97 31.23 1pwq h ARG 465 CO 0.98 -0.05 -0.01 0.78 0.00 0.00 0.00 179.97 181.67 1pwq h GLY 466 N -0.08 -1.72 -0.91 0.04 0.00 -1.99 -1.83 103.07 96.58 1pwq h GLY 466 Ca 0.30 0.74 0.17 0.00 0.00 0.00 0.00 47.33 48.55 1pwq h GLY 466 CO -0.78 -0.65 -0.26 1.39 0.00 0.00 0.00 176.54 176.23 1pwq n ILE 467 N -2.69 -0.41 -0.31 2.60 -0.00 -1.09 0.35 119.36 117.80 1pwq n ILE 467 Ca -0.00 2.09 0.15 0.00 -0.00 0.00 0.00 62.75 64.99 1pwq n ILE 467 Cb 0.01 -2.86 0.33 0.00 -0.00 0.00 0.00 39.64 37.12 1pwq n ILE 467 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.55 176.70 1pwq h PHE 468 N 0.00 0.71 -0.15 1.39 3.57 -0.83 -0.29 116.94 121.34 1pwq h PHE 468 Ca 0.40 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.80 1pwq h PHE 468 Cb 0.63 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1pwq h PHE 468 CO -0.73 -0.05 -0.53 -0.91 -2.23 0.00 0.00 178.31 173.86 1pwq h ASN 469 N 0.41 0.47 0.88 0.41 -0.26 0.40 -0.31 115.58 117.58 1pwq h ASN 469 Ca 0.58 -0.24 0.00 0.00 -0.56 0.00 0.00 56.30 56.08 1pwq h ASN 469 Cb 1.13 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 38.26 1pwq h ASN 469 CO -0.53 0.91 0.00 -0.62 -1.06 0.00 0.00 177.43 176.13 1pwq n GLU 470 N -3.95 0.06 -0.12 0.81 1.02 -0.20 -0.83 120.64 117.43 1pwq n GLU 470 Ca -0.03 0.16 -0.25 0.00 -0.02 0.00 0.00 57.16 57.03 1pwq n GLU 470 Cb 0.58 -1.59 -0.10 0.00 -0.02 0.00 0.00 31.44 30.32 1pwq n GLU 470 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1pwq n PHE 471 N -1.69 0.48 0.33 -0.32 7.35 -0.71 -4.12 117.46 118.78 1pwq n PHE 471 Ca 0.05 0.21 0.21 0.00 -0.76 0.00 0.00 57.45 57.15 1pwq n PHE 471 Cb 0.29 -1.01 1.14 0.00 0.35 0.00 0.00 39.48 40.24 1pwq n PHE 471 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1pwq h LYS 472 N -1.00 0.00 0.00 -4.13 3.64 -1.03 -3.40 116.57 110.65 1pwq h LYS 472 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1pwq h LYS 472 Cb 1.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 1pwq h LYS 472 CO -0.30 0.00 0.00 1.17 -2.27 0.00 0.00 179.45 178.05 1pwq n LYS 473 N -3.29 0.00 -1.13 1.90 4.81 -0.01 -3.63 118.16 116.81 1pwq n LYS 473 Ca -0.03 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.24 1pwq n LYS 473 Cb 0.08 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.04 1pwq n LYS 473 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1pwq n ASN 474 N 0.00 5.86 -4.21 3.14 4.13 -1.26 -4.80 115.26 118.13 1pwq n ASN 474 Ca 0.00 -2.82 -0.40 0.00 1.68 0.00 0.00 54.58 53.04 1pwq n ASN 474 Cb 0.00 -1.28 -0.09 0.00 -1.54 0.00 0.00 39.78 36.87 1pwq n ASN 474 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1pwq s PHE 475 N -0.46 3.44 0.00 3.10 5.36 -1.24 -2.71 117.98 125.47 1pwq s PHE 475 Ca 0.54 -1.90 0.00 0.00 -0.96 0.00 0.00 56.93 54.60 1pwq s PHE 475 Cb 0.31 -3.43 0.00 0.00 -0.34 0.00 0.00 43.02 39.56 1pwq s PHE 475 CO -0.09 -0.98 0.00 1.63 -1.46 0.00 0.00 175.22 174.32 1pwq n LYS 476 N 4.88 1.70 -3.75 10.12 5.02 -1.26 -4.87 118.16 130.00 1pwq n LYS 476 Ca -0.07 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.08 1pwq n LYS 476 Cb 0.41 -0.95 -0.09 0.00 -0.02 0.00 0.00 35.03 34.38 1pwq n LYS 476 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1pwq s TYR 477 N -1.84 -0.23 -0.01 2.13 -0.85 -1.26 -2.78 117.35 112.50 1pwq s TYR 477 Ca 0.00 0.39 0.02 0.00 -0.52 0.00 0.00 57.07 56.96 1pwq s TYR 477 Cb 0.00 0.11 0.00 0.00 0.38 0.00 0.00 41.96 42.45 1pwq s TYR 477 CO 0.00 -0.37 -0.06 0.45 -1.52 0.00 0.00 175.55 174.05 1pwq s SER 478 N -1.12 0.80 0.08 -0.18 0.15 -1.24 -1.02 113.70 111.17 1pwq s SER 478 Ca -0.12 -0.12 0.04 0.00 0.70 0.00 0.00 55.95 56.45 1pwq s SER 478 Cb -0.05 -0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.06 1pwq s SER 478 CO 0.04 0.05 0.02 -0.63 1.20 0.00 0.00 173.24 173.92 1pwq s ILE 479 N 0.09 4.19 -0.23 6.45 1.01 -1.13 -0.58 121.20 131.00 1pwq s ILE 479 Ca -0.01 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 1pwq s ILE 479 Cb -0.05 -2.99 0.07 0.00 0.01 0.00 0.00 42.46 39.49 1pwq s ILE 479 CO -0.00 0.15 0.03 -0.55 0.00 0.00 0.00 174.94 174.56 1pwq s SER 480 N -2.26 3.45 0.00 3.58 0.15 -0.81 0.39 113.70 118.19 1pwq s SER 480 Ca 0.26 -1.12 0.17 0.00 0.70 0.00 0.00 55.95 55.96 1pwq s SER 480 Cb -0.12 -0.83 0.21 0.00 -1.71 0.00 0.00 66.02 63.58 1pwq s SER 480 CO 0.19 -0.31 1.12 -0.24 1.20 0.00 0.00 173.24 175.19 1pwq n SER 481 N 4.89 2.65 -4.83 5.45 2.88 -1.25 0.64 113.62 124.05 1pwq n SER 481 Ca -0.08 -1.78 -0.31 0.00 -1.33 0.00 0.00 58.87 55.37 1pwq n SER 481 Cb 0.45 -0.08 -0.05 0.00 -0.75 0.00 0.00 64.21 63.78 1pwq n SER 481 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1pwq s ASN 482 N -1.33 4.32 -0.57 -3.46 2.20 -1.26 -4.29 114.94 110.55 1pwq s ASN 482 Ca 0.23 -1.56 -0.25 0.00 -0.94 0.00 0.00 52.86 50.35 1pwq s ASN 482 Cb 0.15 0.61 0.04 0.00 -2.00 0.00 0.00 41.25 40.05 1pwq s ASN 482 CO 0.22 -0.99 1.02 -0.31 -2.94 0.00 0.00 177.10 174.09 1pwq s TYR 483 N -2.87 2.72 -0.12 1.54 1.51 -1.26 -4.39 117.35 114.49 1pwq s TYR 483 Ca 0.12 0.06 -0.29 0.00 -1.01 0.00 0.00 57.07 55.95 1pwq s TYR 483 Cb -0.00 -4.21 -0.04 0.00 -0.11 0.00 0.00 41.96 37.59 1pwq s TYR 483 CO 0.08 -1.45 1.56 -1.64 -1.11 0.00 0.00 175.55 172.98 1pwq s MET 484 N 4.27 4.10 -0.50 -0.62 -1.94 -1.26 -4.77 119.30 118.58 1pwq s MET 484 Ca 0.33 1.95 -0.15 0.00 -1.71 0.00 0.00 55.69 56.11 1pwq s MET 484 Cb -0.11 -3.95 0.10 0.00 2.01 0.00 0.00 34.83 32.88 1pwq s MET 484 CO 0.20 -0.92 0.44 0.42 -0.01 0.00 0.00 175.02 175.15 1pwq s ILE 485 N 4.18 5.16 0.29 2.53 1.01 -1.26 -0.68 121.20 132.44 1pwq s ILE 485 Ca 0.69 -1.30 0.09 0.00 0.00 0.00 0.00 60.65 60.13 1pwq s ILE 485 Cb -0.29 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 37.94 1pwq s ILE 485 CO 0.26 -0.72 0.02 0.68 0.00 0.00 0.00 174.94 175.18 1pwq s VAL 486 N 1.61 3.17 -0.15 2.92 -7.23 -0.43 -4.94 120.40 115.35 1pwq s VAL 486 Ca 0.04 -1.91 -0.07 0.00 -1.81 0.00 0.00 61.98 58.22 1pwq s VAL 486 Cb -0.27 -2.83 -0.04 0.00 0.56 0.00 0.00 36.38 33.80 1pwq s VAL 486 CO 0.05 -0.31 0.11 -1.81 -0.31 0.00 0.00 175.10 172.83 1pwq s ASP 487 N -3.71 6.09 0.28 4.85 1.01 -0.35 0.09 116.67 124.95 1pwq s ASP 487 Ca 0.33 0.31 -0.02 0.00 0.71 0.00 0.00 52.55 53.88 1pwq s ASP 487 Cb -0.04 -1.99 0.40 0.00 1.01 0.00 0.00 42.92 42.29 1pwq s ASP 487 CO 0.20 0.31 1.89 0.40 0.21 0.00 0.00 175.17 178.18 1pwq h ILE 488 N 4.32 1.22 -3.19 0.77 2.04 -1.05 -1.98 117.51 119.64 1pwq h ILE 488 Ca -0.48 -0.61 -0.56 0.00 1.00 0.00 0.00 64.86 64.21 1pwq h ILE 488 Cb 1.19 0.32 -0.36 0.00 -0.74 0.00 0.00 36.82 37.24 1pwq h ILE 488 CO 0.64 0.26 -0.82 0.20 0.00 0.00 0.00 178.15 178.44 1pwq s ASN 489 N -6.43 2.34 -0.41 1.72 0.01 -1.26 -4.66 114.94 106.24 1pwq s ASN 489 Ca -0.11 -0.38 -0.43 0.00 -0.71 0.00 0.00 52.86 51.23 1pwq s ASN 489 Cb 0.17 -0.98 -0.19 0.00 0.41 0.00 0.00 41.25 40.66 1pwq s ASN 489 CO 0.80 -0.07 1.44 1.21 -1.51 0.00 0.00 177.10 178.97 1pwq n GLU 490 N 4.70 0.00 -4.41 -0.60 2.13 -1.26 -4.93 120.64 116.27 1pwq n GLU 490 Ca -0.16 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.39 1pwq n GLU 490 Cb 0.50 -1.40 -0.12 0.00 0.27 0.00 0.00 31.44 30.69 1pwq n GLU 490 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1pwq s ARG 491 N 2.48 1.49 1.05 5.31 1.81 -1.26 -5.08 118.95 124.75 1pwq s ARG 491 Ca 0.97 -1.47 -0.14 0.00 -1.72 0.00 0.00 55.73 53.37 1pwq s ARG 491 Cb -1.38 -1.87 0.21 0.00 -0.45 0.00 0.00 34.95 31.47 1pwq s ARG 491 CO 0.74 0.42 0.49 -2.30 -0.68 0.00 0.00 175.30 173.96 1pwq n PRO 492 N 0.47 -1.87 -4.15 3.54 -0.02 -1.26 -4.95 135.00 126.75 1pwq n PRO 492 Ca -0.14 -0.82 -0.13 0.00 -2.02 0.00 0.00 63.50 60.39 1pwq n PRO 492 Cb 0.55 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.45 1pwq n PRO 492 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pwq s ALA 493 N -2.06 0.91 1.00 3.55 0.00 -1.26 -5.00 121.76 118.90 1pwq s ALA 493 Ca 0.37 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1pwq s ALA 493 Cb -0.07 1.30 0.00 0.00 0.00 0.00 0.00 23.12 24.35 1pwq s ALA 493 CO 0.31 -0.69 0.00 1.28 0.00 0.00 0.00 175.76 176.66 1pwq n LEU 494 N -0.39 0.00 -0.07 0.00 4.32 -1.26 -5.01 117.00 114.59 1pwq n LEU 494 Ca 0.02 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.96 1pwq n LEU 494 Cb 0.64 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.41 1pwq n LEU 494 CO 0.30 -0.39 -0.18 0.44 -1.22 0.00 0.00 177.39 176.34 1pwq h ASP 495 N -0.15 0.00 0.00 -1.43 3.32 -2.02 -3.30 116.42 112.85 1pwq h ASP 495 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1pwq h ASP 495 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1pwq h ASP 495 CO 0.00 0.75 0.39 -0.55 -1.72 0.00 0.00 179.24 178.11 1pwq h ASN 496 N -1.00 0.00 -2.69 6.45 -1.07 -1.97 -3.34 115.58 111.95 1pwq h ASN 496 Ca -0.04 0.00 -0.57 0.00 0.07 0.00 0.00 56.30 55.76 1pwq h ASN 496 Cb 0.44 0.00 -0.10 0.00 -2.07 0.00 0.00 38.32 36.59 1pwq h ASN 496 CO -0.02 0.00 0.87 -1.61 0.07 0.00 0.00 177.43 176.74 1pwq s GLU 497 N -4.05 3.25 0.00 4.14 2.02 -1.24 -3.77 118.70 119.05 1pwq s GLU 497 Ca -0.03 -0.27 0.00 0.00 0.02 0.00 0.00 54.97 54.69 1pwq s GLU 497 Cb 0.08 -4.14 0.00 0.00 0.10 0.00 0.00 34.13 30.17 1pwq s GLU 497 CO 0.24 -1.90 0.00 0.54 0.02 0.00 0.00 175.26 174.16 1pwq n ARG 498 N 8.59 5.26 -3.45 1.61 5.12 -0.91 -4.56 116.66 128.32 1pwq n ARG 498 Ca 0.02 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.56 1pwq n ARG 498 Cb 0.48 -0.49 -0.08 0.00 -1.16 0.00 0.00 32.46 31.20 1pwq n ARG 498 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1pwq s LEU 499 N -1.82 4.12 -0.33 0.55 1.02 -0.75 -1.27 118.68 120.19 1pwq s LEU 499 Ca 0.00 0.36 0.00 0.00 0.02 0.00 0.00 54.13 54.51 1pwq s LEU 499 Cb 0.00 -2.39 0.08 0.00 0.02 0.00 0.00 46.19 43.89 1pwq s LEU 499 CO 0.00 -0.07 0.04 -0.54 0.02 0.00 0.00 176.35 175.80 1pwq s LYS 500 N 1.44 2.08 1.15 1.70 1.02 0.63 -0.49 119.74 127.27 1pwq s LYS 500 Ca 0.15 -1.55 -0.19 0.00 0.02 0.00 0.00 55.97 54.40 1pwq s LYS 500 Cb -0.15 -3.22 0.27 0.00 -0.52 0.00 0.00 37.83 34.21 1pwq s LYS 500 CO 0.08 -0.79 1.20 -1.58 -0.92 0.00 0.00 175.35 173.34 1pwq s TRP 501 N 1.12 0.59 -0.38 3.18 0.52 0.52 -0.87 118.94 123.63 1pwq s TRP 501 Ca 0.01 0.34 -0.01 0.00 0.02 0.00 0.00 56.10 56.46 1pwq s TRP 501 Cb -0.20 -3.76 0.19 0.00 -1.15 0.00 0.00 33.47 28.54 1pwq s TRP 501 CO -0.04 -3.61 0.85 0.50 0.02 0.00 0.00 176.95 174.67 1pwq s ARG 502 N -5.66 0.51 0.05 4.98 3.52 -0.66 -4.00 118.95 117.69 1pwq s ARG 502 Ca 0.73 -0.22 -0.21 0.00 -0.13 0.00 0.00 55.73 55.90 1pwq s ARG 502 Cb -0.06 0.05 -0.06 0.00 -1.56 0.00 0.00 34.95 33.32 1pwq s ARG 502 CO 0.55 -0.73 0.63 0.42 -0.81 0.00 0.00 175.30 175.37 1pwq s ILE 503 N 1.77 4.76 -0.25 4.11 -1.09 0.80 -3.02 121.20 128.27 1pwq s ILE 503 Ca 0.17 1.35 -0.09 0.00 -2.23 0.00 0.00 60.65 59.85 1pwq s ILE 503 Cb 0.01 -3.97 -0.04 0.00 -1.58 0.00 0.00 42.46 36.88 1pwq s ILE 503 CO -0.11 0.47 0.11 -1.58 -1.23 0.00 0.00 174.94 172.60 1pwq s GLN 504 N -0.61 3.78 0.78 2.79 0.74 -0.46 -0.51 119.66 126.18 1pwq s GLN 504 Ca 0.32 -0.41 -0.10 0.00 0.05 0.00 0.00 55.36 55.22 1pwq s GLN 504 Cb -0.20 -3.42 0.09 0.00 1.10 0.00 0.00 33.01 30.58 1pwq s GLN 504 CO 0.20 -0.14 1.13 -0.51 -0.55 0.00 0.00 175.29 175.41 1pwq s LEU 505 N 1.54 2.66 -0.18 3.68 2.01 -1.02 -1.02 118.68 126.34 1pwq s LEU 505 Ca 0.06 0.56 -0.07 0.00 0.01 0.00 0.00 54.13 54.70 1pwq s LEU 505 Cb -0.15 -3.06 -0.04 0.00 0.01 0.00 0.00 46.19 42.95 1pwq s LEU 505 CO 0.06 -1.88 0.04 -0.55 1.01 0.00 0.00 176.35 175.03 1pwq s SER 506 N -4.60 5.39 0.56 2.29 0.15 -1.26 -4.72 113.70 111.51 1pwq s SER 506 Ca 0.63 -0.00 0.32 0.00 0.70 0.00 0.00 55.95 57.59 1pwq s SER 506 Cb -0.10 -1.92 1.46 0.00 -1.71 0.00 0.00 66.02 63.75 1pwq s SER 506 CO 0.48 0.15 1.83 -0.65 1.20 0.00 0.00 173.24 176.24 1pwq h PRO 507 N 6.89 0.00 0.13 5.44 0.11 -1.96 0.14 132.00 142.74 1pwq h PRO 507 Ca -0.36 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 1pwq h PRO 507 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1pwq h PRO 507 CO 0.67 0.00 -0.06 -0.44 -0.21 0.00 0.00 178.00 177.96 1pwq h ASP 508 N 0.00 -0.14 0.00 -2.05 3.45 -1.95 0.29 116.42 116.02 1pwq h ASP 508 Ca 0.40 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.86 1pwq h ASP 508 Cb 1.77 0.04 0.00 0.00 -0.56 0.00 0.00 39.33 40.58 1pwq h ASP 508 CO -0.00 -0.10 0.00 0.41 -1.57 0.00 0.00 179.24 177.98 1pwq n THR 509 N -2.50 0.00 -3.02 0.35 -1.04 0.48 -4.12 114.28 104.43 1pwq n THR 509 Ca -0.02 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.66 1pwq n THR 509 Cb 0.07 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.51 1pwq n THR 509 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pwq s ARG 510 N 0.00 4.10 0.32 -2.82 1.70 -1.26 -2.15 118.95 118.84 1pwq s ARG 510 Ca 0.00 0.84 -0.03 0.00 -0.47 0.00 0.00 55.73 56.07 1pwq s ARG 510 Cb 0.00 -2.36 0.01 0.00 -0.57 0.00 0.00 34.95 32.04 1pwq s ARG 510 CO 0.00 0.10 0.47 0.00 -1.08 0.00 0.00 175.30 174.79 1pwq n ALA 511 N -0.43 -0.47 -2.98 7.88 0.00 -0.68 -2.54 120.51 121.30 1pwq n ALA 511 Ca 0.05 -1.42 -0.25 0.00 0.00 0.00 0.00 53.44 51.82 1pwq n ALA 511 Cb 0.53 1.14 -0.16 0.00 0.00 0.00 0.00 19.45 20.97 1pwq n ALA 511 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1pwq s GLY 512 N -2.94 0.83 0.39 0.00 0.00 0.14 -4.27 107.32 101.46 1pwq s GLY 512 Ca 0.25 -0.59 -0.20 0.00 0.00 0.00 0.00 44.72 44.18 1pwq s GLY 512 CO 0.18 -0.26 0.89 -0.47 0.00 0.00 0.00 173.10 173.44 1pwq s TYR 513 N 0.12 3.36 0.10 1.90 5.04 -1.26 -0.50 117.35 126.11 1pwq s TYR 513 Ca -0.05 1.52 0.07 0.00 -2.44 0.00 0.00 57.07 56.18 1pwq s TYR 513 Cb -0.11 -2.77 -0.03 0.00 0.35 0.00 0.00 41.96 39.39 1pwq s TYR 513 CO 0.02 -0.03 -0.18 -0.51 -1.34 0.00 0.00 175.55 173.51 1pwq s LEU 514 N -3.03 2.32 0.25 6.97 1.43 -0.66 -4.87 118.68 121.09 1pwq s LEU 514 Ca 0.59 -0.70 -0.06 0.00 -1.03 0.00 0.00 54.13 52.93 1pwq s LEU 514 Cb -0.10 -0.73 0.26 0.00 0.03 0.00 0.00 46.19 45.65 1pwq s LEU 514 CO 0.15 -0.02 1.88 -0.33 0.23 0.00 0.00 176.35 178.27 1pwq h GLU 515 N 3.98 1.23 -0.96 1.70 4.39 -1.98 -3.08 114.58 119.85 1pwq h GLU 515 Ca -0.43 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.13 1pwq h GLU 515 Cb 1.19 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 1pwq h GLU 515 CO 0.42 0.88 0.01 0.27 -1.16 0.00 0.00 179.01 179.43 1pwq n ASN 516 N -4.35 1.81 0.00 1.42 6.94 -1.26 -4.81 115.26 115.01 1pwq n ASN 516 Ca 0.10 -2.11 0.00 0.00 -0.02 0.00 0.00 54.58 52.54 1pwq n ASN 516 Cb 0.08 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 36.98 1pwq n ASN 516 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1pwq n GLY 517 N 0.12 0.58 3.81 4.83 0.00 -1.16 -4.99 105.19 108.37 1pwq n GLY 517 Ca 0.04 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 1pwq n GLY 517 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pwq s LYS 518 N -0.91 2.31 -0.00 1.61 1.02 -1.26 -0.44 119.74 122.08 1pwq s LYS 518 Ca 0.00 -1.83 0.01 0.00 0.02 0.00 0.00 55.97 54.17 1pwq s LYS 518 Cb 0.00 -2.10 -0.00 0.00 -0.52 0.00 0.00 37.83 35.21 1pwq s LYS 518 CO 0.00 -0.26 -0.03 -0.51 -0.92 0.00 0.00 175.35 173.63 1pwq s LEU 519 N -4.05 1.95 -0.26 3.17 1.43 0.11 -1.66 118.68 119.38 1pwq s LEU 519 Ca 0.40 -0.05 -0.09 0.00 -1.03 0.00 0.00 54.13 53.36 1pwq s LEU 519 Cb 0.01 -0.16 -0.04 0.00 0.03 0.00 0.00 46.19 46.03 1pwq s LEU 519 CO 0.23 0.03 0.13 -0.63 0.23 0.00 0.00 176.35 176.33 1pwq s ILE 520 N 0.00 4.80 0.62 -0.59 1.01 0.35 -1.31 121.20 126.08 1pwq s ILE 520 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 60.65 60.58 1pwq s ILE 520 Cb -0.02 -3.26 0.02 0.00 0.01 0.00 0.00 42.46 39.20 1pwq s ILE 520 CO -0.00 0.30 0.94 -0.76 0.00 0.00 0.00 174.94 175.42 1pwq s LEU 521 N 1.62 3.13 0.96 2.97 1.43 0.14 0.24 118.68 129.18 1pwq s LEU 521 Ca 0.07 0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 53.77 1pwq s LEU 521 Cb -0.15 -3.52 0.17 0.00 0.03 0.00 0.00 46.19 42.71 1pwq s LEU 521 CO 0.07 -1.18 1.10 0.00 0.23 0.00 0.00 176.35 176.57 1pwq s GLN 522 N -5.07 0.72 0.35 1.70 -2.07 -1.05 -4.17 119.66 110.06 1pwq s GLN 522 Ca 0.55 0.56 0.05 0.00 -1.82 0.00 0.00 55.36 54.70 1pwq s GLN 522 Cb -0.11 -1.77 -0.01 0.00 -1.09 0.00 0.00 33.01 30.03 1pwq s GLN 522 CO 0.46 -2.54 0.50 -0.98 -1.32 0.00 0.00 175.29 171.41 1pwq s ARG 523 N -5.00 3.18 -0.69 9.60 1.70 -1.26 -4.45 118.95 122.03 1pwq s ARG 523 Ca 0.65 -0.81 -0.01 0.00 -0.47 0.00 0.00 55.73 55.09 1pwq s ARG 523 Cb -0.18 -2.76 -0.01 0.00 -0.57 0.00 0.00 34.95 31.43 1pwq s ARG 523 CO 0.57 0.05 0.58 0.09 -1.08 0.00 0.00 175.30 175.51 1pwq n ASN 524 N -1.71 -2.66 -4.89 -2.89 5.03 0.12 -4.97 115.26 103.29 1pwq n ASN 524 Ca -0.02 -0.38 -0.30 0.00 0.87 0.00 0.00 54.58 54.76 1pwq n ASN 524 Cb 0.58 -3.26 -0.04 0.00 -1.02 0.00 0.00 39.78 36.04 1pwq n ASN 524 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1pwq s ILE 525 N -3.22 4.95 -0.25 2.41 -1.09 0.21 -4.55 121.20 119.66 1pwq s ILE 525 Ca 0.06 0.27 -0.01 0.00 -2.23 0.00 0.00 60.65 58.74 1pwq s ILE 525 Cb -0.01 -3.71 0.03 0.00 -1.58 0.00 0.00 42.46 37.19 1pwq s ILE 525 CO 0.43 -0.33 -0.06 -0.83 -1.23 0.00 0.00 174.94 172.92 1pwq s GLY 526 N -3.04 1.63 0.58 6.18 0.00 -1.09 -1.92 107.32 109.66 1pwq s GLY 526 Ca 0.46 -1.48 0.09 0.00 0.00 0.00 0.00 44.72 43.80 1pwq s GLY 526 CO 0.29 0.53 0.76 1.08 0.00 0.00 0.00 173.10 175.75 1pwq s LEU 527 N 1.31 3.02 -0.46 0.66 1.43 0.25 0.15 118.68 125.05 1pwq s LEU 527 Ca -0.00 -0.92 0.07 0.00 -1.03 0.00 0.00 54.13 52.25 1pwq s LEU 527 Cb -0.17 -1.52 0.18 0.00 0.03 0.00 0.00 46.19 44.72 1pwq s LEU 527 CO -0.04 -1.35 0.66 -0.70 0.23 0.00 0.00 176.35 175.15 1pwq s GLU 528 N -4.64 0.94 -0.47 1.70 2.12 -0.82 -3.61 118.70 113.92 1pwq s GLU 528 Ca 0.59 -0.70 -0.43 0.00 0.36 0.00 0.00 54.97 54.79 1pwq s GLU 528 Cb -0.05 -0.03 -0.18 0.00 0.26 0.00 0.00 34.13 34.13 1pwq s GLU 528 CO 0.37 -1.26 1.79 -0.89 -0.54 0.00 0.00 175.26 174.73 1pwq n ILE 529 N 3.68 0.00 -0.03 -3.70 2.08 -1.12 -3.22 119.36 117.06 1pwq n ILE 529 Ca 0.15 0.00 0.05 0.00 0.56 0.00 0.00 62.75 63.50 1pwq n ILE 529 Cb 0.56 -0.47 -0.14 0.00 -0.75 0.00 0.00 39.64 38.84 1pwq n ILE 529 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1pwq n LYS 530 N 5.61 0.73 -3.50 0.38 4.81 0.48 -4.78 118.16 121.89 1pwq n LYS 530 Ca 0.42 -0.13 0.01 0.00 -0.87 0.00 0.00 58.31 57.74 1pwq n LYS 530 Cb -0.05 -1.44 -0.05 0.00 0.02 0.00 0.00 35.03 33.51 1pwq n LYS 530 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1pwq s ASP 531 N -4.40 -0.28 -0.17 3.14 3.68 -1.00 -4.99 116.67 112.65 1pwq s ASP 531 Ca -0.07 0.42 0.01 0.00 2.13 0.00 0.00 52.55 55.03 1pwq s ASP 531 Cb 0.10 1.21 0.02 0.00 -1.45 0.00 0.00 42.92 42.80 1pwq s ASP 531 CO 0.76 -0.06 -0.18 -0.69 0.13 0.00 0.00 175.17 175.12 1pwq s VAL 532 N 1.60 1.90 0.10 1.11 1.01 -1.26 -1.44 120.40 123.42 1pwq s VAL 532 Ca -0.05 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1pwq s VAL 532 Cb -0.03 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1pwq s VAL 532 CO -0.14 0.51 -0.03 0.00 0.00 0.00 0.00 175.10 175.44 1pwq s GLN 533 N 1.35 0.84 0.13 2.72 -2.07 -1.09 -5.03 119.66 116.49 1pwq s GLN 533 Ca 0.05 -1.35 -0.13 0.00 -1.82 0.00 0.00 55.36 52.11 1pwq s GLN 533 Cb -0.13 -0.07 -0.07 0.00 -1.09 0.00 0.00 33.01 31.65 1pwq s GLN 533 CO -0.12 -0.08 0.51 0.42 -1.32 0.00 0.00 175.29 174.69 1pwq s ILE 534 N -3.74 4.92 0.05 3.63 1.01 -1.26 -1.82 121.20 123.99 1pwq s ILE 534 Ca 0.14 0.73 -0.01 0.00 0.00 0.00 0.00 60.65 61.51 1pwq s ILE 534 Cb 0.06 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1pwq s ILE 534 CO -0.04 0.26 -0.04 0.27 0.00 0.00 0.00 174.94 175.40 1pwq s ILE 535 N -1.44 0.28 -0.11 2.92 -4.36 0.11 -4.49 121.20 114.11 1pwq s ILE 535 Ca 0.36 -1.73 -0.02 0.00 -0.26 0.00 0.00 60.65 59.00 1pwq s ILE 535 Cb -0.15 -1.41 -0.03 0.00 1.25 0.00 0.00 42.46 42.12 1pwq s ILE 535 CO 0.19 -0.93 -0.03 -0.75 0.24 0.00 0.00 174.94 173.66 1pwq s LYS 536 N -3.64 3.20 -0.22 0.37 2.20 -1.26 0.13 119.74 120.52 1pwq s LYS 536 Ca 0.05 -0.48 -0.10 0.00 -0.36 0.00 0.00 55.97 55.08 1pwq s LYS 536 Cb 0.06 -2.80 0.08 0.00 -1.51 0.00 0.00 37.83 33.66 1pwq s LYS 536 CO -0.08 0.52 0.52 -1.14 -0.36 0.00 0.00 175.35 174.80 1pwq s GLN 537 N -0.38 0.48 -0.52 4.03 0.74 0.12 -4.74 119.66 119.39 1pwq s GLN 537 Ca 0.07 1.05 -0.22 0.00 0.05 0.00 0.00 55.36 56.31 1pwq s GLN 537 Cb -0.12 0.23 0.03 0.00 1.10 0.00 0.00 33.01 34.25 1pwq s GLN 537 CO 0.02 -0.18 0.64 0.43 -0.55 0.00 0.00 175.29 175.65 1pwq n SER 538 N 4.72 -6.63 0.00 6.67 7.64 -1.26 -1.64 113.62 123.12 1pwq n SER 538 Ca -0.17 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1pwq n SER 538 Cb 0.54 -3.51 0.00 0.00 -1.01 0.00 0.00 64.21 60.23 1pwq n SER 538 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1pwq n GLU 539 N -0.69 -0.89 -4.56 1.43 0.28 -1.26 -4.87 120.64 110.09 1pwq n GLU 539 Ca -0.02 0.08 -0.26 0.00 -0.16 0.00 0.00 57.16 56.79 1pwq n GLU 539 Cb 0.58 -2.74 -0.09 0.00 1.43 0.00 0.00 31.44 30.62 1pwq n GLU 539 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1pwq s LYS 540 N -0.51 1.92 -0.14 3.44 1.02 -0.65 -5.00 119.74 119.82 1pwq s LYS 540 Ca 0.00 -2.15 0.02 0.00 0.02 0.00 0.00 55.97 53.86 1pwq s LYS 540 Cb 0.00 -0.93 0.01 0.00 -0.52 0.00 0.00 37.83 36.39 1pwq s LYS 540 CO 0.00 -0.36 -0.21 -2.00 -0.92 0.00 0.00 175.35 171.87 1pwq s GLU 541 N -3.79 3.07 0.18 1.68 2.12 -0.86 0.15 118.70 121.24 1pwq s GLU 541 Ca 0.24 -0.83 0.04 0.00 0.36 0.00 0.00 54.97 54.78 1pwq s GLU 541 Cb 0.04 -2.46 -0.05 0.00 0.26 0.00 0.00 34.13 31.92 1pwq s GLU 541 CO 0.13 0.01 -0.07 0.71 -0.54 0.00 0.00 175.26 175.50 1pwq s TYR 542 N 0.76 1.38 -0.43 5.30 1.51 0.35 -4.77 117.35 121.45 1pwq s TYR 542 Ca -0.08 -0.81 -0.18 0.00 -1.01 0.00 0.00 57.07 54.99 1pwq s TYR 542 Cb -0.16 -0.74 0.03 0.00 -0.11 0.00 0.00 41.96 40.98 1pwq s TYR 542 CO -0.00 0.05 0.48 0.42 -1.11 0.00 0.00 175.55 175.38 1pwq s ILE 543 N -3.35 5.04 -0.08 2.71 1.01 -0.40 0.05 121.20 126.18 1pwq s ILE 543 Ca 0.21 -0.32 -0.23 0.00 0.00 0.00 0.00 60.65 60.31 1pwq s ILE 543 Cb 0.04 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1pwq s ILE 543 CO 0.04 -0.48 0.70 -0.60 0.00 0.00 0.00 174.94 174.59 1pwq s ARG 544 N 2.26 4.42 -0.10 2.79 6.06 -0.76 -0.27 118.95 133.35 1pwq s ARG 544 Ca 0.14 0.86 0.04 0.00 -2.50 0.00 0.00 55.73 54.27 1pwq s ARG 544 Cb -0.17 -3.46 0.00 0.00 0.06 0.00 0.00 34.95 31.39 1pwq s ARG 544 CO 0.14 0.04 -0.23 0.42 -2.50 0.00 0.00 175.30 173.18 1pwq s ILE 545 N 0.87 2.00 -0.27 4.11 1.01 -0.05 -2.69 121.20 126.18 1pwq s ILE 545 Ca 0.37 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 60.02 1pwq s ILE 545 Cb -0.18 -1.74 0.04 0.00 0.01 0.00 0.00 42.46 40.60 1pwq s ILE 545 CO 0.17 0.55 -0.03 -1.81 0.00 0.00 0.00 174.94 173.82 1pwq s ASP 546 N 0.42 4.60 0.15 3.58 1.01 -0.52 -1.66 116.67 124.25 1pwq s ASP 546 Ca -0.17 -1.06 0.08 0.00 0.71 0.00 0.00 52.55 52.11 1pwq s ASP 546 Cb -0.18 -1.69 -0.04 0.00 1.01 0.00 0.00 42.92 42.03 1pwq s ASP 546 CO 0.07 -0.19 -0.18 0.00 0.21 0.00 0.00 175.17 175.08 1pwq s ALA 547 N 1.29 1.95 -0.13 5.23 0.00 -1.17 0.18 121.76 129.11 1pwq s ALA 547 Ca -0.03 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 50.51 1pwq s ALA 547 Cb -0.18 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1pwq s ALA 547 CO -0.03 0.24 -0.20 0.21 0.00 0.00 0.00 175.76 175.98 1pwq s LYS 548 N -2.68 3.11 0.33 0.00 2.20 -1.20 -1.35 119.74 120.15 1pwq s LYS 548 Ca 0.14 -0.82 -0.29 0.00 -0.36 0.00 0.00 55.97 54.65 1pwq s LYS 548 Cb -0.06 -2.47 -0.10 0.00 -1.51 0.00 0.00 37.83 33.69 1pwq s LYS 548 CO 0.06 0.06 1.32 0.08 -0.36 0.00 0.00 175.35 176.52 1pwq s VAL 549 N 0.65 2.67 0.05 4.02 1.01 -0.19 -1.94 120.40 126.68 1pwq s VAL 549 Ca -0.10 0.67 -0.15 0.00 0.00 0.00 0.00 61.98 62.40 1pwq s VAL 549 Cb -0.16 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.82 1pwq s VAL 549 CO 0.02 0.16 0.35 -0.69 0.00 0.00 0.00 175.10 174.94 1pwq s VAL 550 N -1.12 0.07 0.27 2.92 1.01 0.41 -4.65 120.40 119.31 1pwq s VAL 550 Ca 0.49 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.59 1pwq s VAL 550 Cb -0.40 -0.98 -0.15 0.00 0.00 0.00 0.00 36.38 34.85 1pwq s VAL 550 CO 0.54 -0.33 0.89 -2.65 0.00 0.00 0.00 175.10 173.54 1pwq n PRO 551 N 0.44 1.04 -0.21 2.72 -0.02 -1.26 -2.69 135.00 135.02 1pwq n PRO 551 Ca -0.18 0.36 0.11 0.00 -2.02 0.00 0.00 63.50 61.77 1pwq n PRO 551 Cb 0.60 -1.65 0.40 0.00 -0.02 0.00 0.00 33.50 32.83 1pwq n PRO 551 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1pwq h LYS 552 N 1.74 0.62 -0.00 -0.52 3.64 -1.87 -2.62 116.57 117.56 1pwq h LYS 552 Ca -0.37 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1pwq h LYS 552 Cb 1.36 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1pwq h LYS 552 CO 0.60 0.41 -0.00 0.77 -2.27 0.00 0.00 179.45 178.95 1pwq h SER 553 N 0.64 -0.00 -0.50 4.20 0.02 -1.95 1.77 113.55 117.73 1pwq h SER 553 Ca 0.38 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.46 1pwq h SER 553 Cb 0.59 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.04 1pwq h SER 553 CO -0.15 -0.00 0.00 1.17 -1.14 0.00 0.00 176.83 176.72 1pwq n LYS 554 N -2.83 -0.04 -0.01 3.45 3.00 -0.99 0.25 118.16 121.00 1pwq n LYS 554 Ca -0.00 0.75 -0.20 0.00 -0.00 0.00 0.00 58.31 58.85 1pwq n LYS 554 Cb 0.00 -1.18 -0.14 0.00 0.00 0.00 0.00 35.03 33.71 1pwq n LYS 554 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1pwq h ILE 555 N 0.00 1.18 -0.84 3.15 5.03 -0.88 -3.08 117.51 122.07 1pwq h ILE 555 Ca 0.30 -2.39 0.15 0.00 -0.12 0.00 0.00 64.86 62.80 1pwq h ILE 555 Cb 0.61 2.81 -0.06 0.00 -3.03 0.00 0.00 36.82 37.14 1pwq h ILE 555 CO -0.47 0.64 0.55 -0.78 -0.68 0.00 0.00 178.15 177.41 1pwq h ASP 556 N -0.49 0.55 0.00 1.72 -0.00 0.71 -2.10 116.42 116.81 1pwq h ASP 556 Ca -0.25 0.03 -0.17 0.00 -0.00 0.00 0.00 57.03 56.64 1pwq h ASP 556 Cb 1.59 -0.08 0.01 0.00 -0.00 0.00 0.00 39.33 40.86 1pwq h ASP 556 CO 0.03 0.28 -0.68 0.74 -0.00 0.00 0.00 179.24 179.61 1pwq h THR 557 N 0.59 1.41 -0.96 2.25 2.02 -1.02 -3.02 112.91 114.17 1pwq h THR 557 Ca 0.42 -2.12 0.25 0.00 0.77 0.00 0.00 66.41 65.73 1pwq h THR 557 Cb 0.78 2.58 -0.06 0.00 -1.74 0.00 0.00 68.15 69.71 1pwq h THR 557 CO -0.17 0.62 0.66 0.11 0.37 0.00 0.00 175.52 177.10 1pwq h LYS 558 N -0.03 0.23 0.04 6.66 1.57 -1.29 0.39 116.57 124.13 1pwq h LYS 558 Ca -0.09 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1pwq h LYS 558 Cb 1.38 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1pwq h LYS 558 CO 0.13 0.15 -0.02 0.82 -0.57 0.00 0.00 179.45 179.96 1pwq h ILE 559 N 0.24 1.26 0.65 1.86 2.04 -1.40 -2.14 117.51 120.01 1pwq h ILE 559 Ca 0.50 -1.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 1pwq h ILE 559 Cb 1.53 1.93 0.01 0.00 -0.74 0.00 0.00 36.82 39.54 1pwq h ILE 559 CO -0.13 0.25 -0.31 1.56 0.00 0.00 0.00 178.15 179.52 1pwq h GLN 560 N -0.51 -0.84 -0.91 2.37 4.20 -0.98 0.44 115.11 118.89 1pwq h GLN 560 Ca -0.01 0.06 0.33 0.00 0.06 0.00 0.00 58.65 59.09 1pwq h GLN 560 Cb 0.46 0.19 -0.17 0.00 0.30 0.00 0.00 27.48 28.27 1pwq h GLN 560 CO 0.01 -0.52 0.29 -1.91 -0.67 0.00 0.00 178.83 176.04 1pwq n GLU 561 N -5.39 -0.06 -0.04 1.46 2.13 0.12 0.93 120.64 119.79 1pwq n GLU 561 Ca -0.12 1.30 -0.14 0.00 0.66 0.00 0.00 57.16 58.85 1pwq n GLU 561 Cb 0.37 -2.21 -0.12 0.00 0.27 0.00 0.00 31.44 29.75 1pwq n GLU 561 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1pwq h ALA 562 N 1.81 0.01 -0.92 4.31 0.00 -1.08 -2.26 119.26 121.14 1pwq h ALA 562 Ca 0.68 -0.40 0.23 0.00 0.00 0.00 0.00 54.91 55.41 1pwq h ALA 562 Cb 1.66 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 19.33 1pwq h ALA 562 CO -0.76 -0.07 0.44 0.37 0.00 0.00 0.00 179.25 179.23 1pwq h GLN 563 N -0.72 0.42 0.86 0.00 4.15 0.53 0.49 115.11 120.85 1pwq h GLN 563 Ca -0.01 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 1pwq h GLN 563 Cb 0.82 -0.10 0.01 0.00 0.21 0.00 0.00 27.48 28.42 1pwq h GLN 563 CO 0.01 0.28 -0.44 1.25 -1.93 0.00 0.00 178.83 178.00 1pwq h LEU 564 N 0.44 -1.06 -0.48 -2.39 7.12 0.38 -3.03 115.31 116.28 1pwq h LEU 564 Ca 0.58 0.04 0.08 0.00 0.13 0.00 0.00 57.88 58.71 1pwq h LEU 564 Cb 1.11 0.29 -0.10 0.00 -0.53 0.00 0.00 40.66 41.43 1pwq h LEU 564 CO -0.52 -0.73 -0.41 -1.13 -0.13 0.00 0.00 178.44 175.52 1pwq h ASN 565 N -1.19 -1.40 0.00 1.25 -0.73 -0.36 0.10 115.58 113.25 1pwq h ASN 565 Ca -0.12 0.23 0.00 0.00 1.87 0.00 0.00 56.30 58.28 1pwq h ASN 565 Cb 0.92 0.63 0.00 0.00 0.27 0.00 0.00 38.32 40.14 1pwq h ASN 565 CO 0.17 -0.35 0.27 -0.29 -0.37 0.00 0.00 177.43 176.87 1pwq h ILE 566 N -0.27 0.00 0.04 2.57 2.10 -1.02 0.15 117.51 121.08 1pwq h ILE 566 Ca 0.16 0.00 -0.38 0.00 1.08 0.00 0.00 64.86 65.73 1pwq h ILE 566 Cb 0.57 0.61 -0.05 0.00 -1.09 0.00 0.00 36.82 36.86 1pwq h ILE 566 CO -0.62 0.00 -2.30 0.59 -1.08 0.00 0.00 178.15 174.74 1pwq n ASN 567 N -2.70 1.90 -1.11 2.19 4.13 -0.26 -2.76 115.26 116.65 1pwq n ASN 567 Ca -0.02 -0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.24 1pwq n ASN 567 Cb 0.31 -0.48 0.00 0.00 -1.54 0.00 0.00 39.78 38.07 1pwq n ASN 567 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1pwq n GLN 568 N -3.30 0.37 0.02 3.52 7.27 0.20 -2.96 117.38 122.50 1pwq n GLN 568 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.67 1pwq n GLN 568 Cb 1.02 -1.31 0.00 0.00 2.41 0.00 0.00 30.24 32.36 1pwq n GLN 568 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1pwq n GLU 569 N 0.95 0.00 0.00 3.69 2.13 -1.14 -4.90 120.64 121.37 1pwq n GLU 569 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1pwq n GLU 569 Cb 0.19 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.90 1pwq n GLU 569 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 1pwq n TRP 570 N -2.58 0.00 -0.08 4.31 7.02 -1.11 -2.15 117.44 122.84 1pwq n TRP 570 Ca 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.37 1pwq n TRP 570 Cb 0.00 -0.04 -0.09 0.00 -2.42 0.00 0.00 31.31 28.76 1pwq n TRP 570 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1pwq n ASN 571 N -0.24 2.23 0.45 -0.99 5.03 -1.20 -4.14 115.26 116.41 1pwq n ASN 571 Ca 0.00 -0.07 -0.19 0.00 0.87 0.00 0.00 54.58 55.19 1pwq n ASN 571 Cb 0.09 0.07 -0.09 0.00 -1.02 0.00 0.00 39.78 38.83 1pwq n ASN 571 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 1pwq h LYS 572 N 0.00 -1.10 -0.10 3.52 1.63 -1.70 0.69 116.57 119.51 1pwq h LYS 572 Ca -0.40 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 1pwq h LYS 572 Cb 1.71 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 33.59 1pwq h LYS 572 CO -0.04 -0.72 0.00 0.00 -3.45 0.00 0.00 179.45 175.24 1pwq n ALA 573 N -2.61 1.31 -0.81 5.00 0.00 -1.04 -1.32 120.51 121.04 1pwq n ALA 573 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1pwq n ALA 573 Cb 0.46 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1pwq n ALA 573 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1pwq n LEU 574 N 0.20 0.00 -1.39 0.00 7.94 -0.68 -5.02 117.00 118.05 1pwq n LEU 574 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 1pwq n LEU 574 Cb 0.02 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.96 1pwq n LEU 574 CO 0.00 0.04 -0.16 0.61 -1.11 0.00 0.00 177.39 176.77 1pwq n GLY 575 N 0.00 0.22 3.98 -3.96 0.00 0.22 -4.92 105.19 100.73 1pwq n GLY 575 Ca 0.00 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 1pwq n GLY 575 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pwq s LEU 576 N -3.61 3.29 -0.08 0.99 1.43 -0.02 -5.02 118.68 115.66 1pwq s LEU 576 Ca 0.00 -0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 52.66 1pwq s LEU 576 Cb 0.00 -2.69 -0.05 0.00 0.03 0.00 0.00 46.19 43.48 1pwq s LEU 576 CO 0.00 -1.18 1.62 -2.84 0.23 0.00 0.00 176.35 174.18 1pwq s PRO 577 N -4.74 4.16 0.57 1.29 0.02 -1.26 -4.65 135.00 130.39 1pwq s PRO 577 Ca 0.58 2.10 0.29 0.00 0.02 0.00 0.00 61.00 63.99 1pwq s PRO 577 Cb -0.10 -3.97 1.48 0.00 0.02 0.00 0.00 34.50 31.93 1pwq s PRO 577 CO 0.38 -0.87 1.92 -0.22 -0.33 0.00 0.00 177.00 177.88 1pwq h LYS 578 N 9.52 0.00 -2.13 5.54 3.64 -1.94 -1.13 116.57 130.07 1pwq h LYS 578 Ca -0.38 0.00 -0.71 0.00 -1.27 0.00 0.00 60.65 58.29 1pwq h LYS 578 Cb 1.17 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.76 1pwq h LYS 578 CO 0.96 0.00 1.06 0.66 -2.27 0.00 0.00 179.45 179.86 1pwq n TYR 579 N -3.91 2.54 -4.47 1.91 4.02 -1.26 -4.71 117.16 111.29 1pwq n TYR 579 Ca 0.10 -2.34 -0.24 0.00 -0.01 0.00 0.00 57.90 55.41 1pwq n TYR 579 Cb 0.69 -1.32 -0.10 0.00 -0.02 0.00 0.00 39.34 38.60 1pwq n TYR 579 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 1pwq s THR 580 N -3.74 2.51 -0.52 -0.72 -1.32 -0.43 -5.10 115.64 106.32 1pwq s THR 580 Ca 0.51 -2.38 -0.01 0.00 -1.21 0.00 0.00 61.69 58.60 1pwq s THR 580 Cb 0.34 -2.34 0.14 0.00 -1.51 0.00 0.00 72.50 69.13 1pwq s THR 580 CO -0.27 -0.39 0.31 -0.54 -2.21 0.00 0.00 174.62 171.52 1pwq s LYS 581 N -3.52 2.21 -0.12 7.08 1.02 -1.26 -4.89 119.74 120.25 1pwq s LYS 581 Ca 0.30 -2.31 -0.11 0.00 0.02 0.00 0.00 55.97 53.87 1pwq s LYS 581 Cb -0.05 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.66 1pwq s LYS 581 CO 0.15 -1.11 -0.22 -0.11 -0.92 0.00 0.00 175.35 173.14 1pwq n LEU 582 N 3.76 1.33 -4.83 3.17 -0.00 -1.26 -4.80 117.00 114.38 1pwq n LEU 582 Ca 0.04 0.28 -0.35 0.00 -0.00 0.00 0.00 56.01 55.99 1pwq n LEU 582 Cb 0.38 -0.68 -0.06 0.00 -0.00 0.00 0.00 43.42 43.06 1pwq n LEU 582 CO 0.32 -0.36 0.42 -0.63 -0.00 0.00 0.00 177.39 177.14 1pwq s ILE 583 N -2.25 4.61 -0.08 1.96 1.09 -1.26 -0.82 121.20 124.45 1pwq s ILE 583 Ca -0.18 1.16 -0.07 0.00 -1.10 0.00 0.00 60.65 60.46 1pwq s ILE 583 Cb 0.03 -3.76 0.02 0.00 -1.06 0.00 0.00 42.46 37.68 1pwq s ILE 583 CO 0.27 0.05 0.21 0.28 -0.10 0.00 0.00 174.94 175.66 1pwq s THR 584 N -1.70 -0.00 -0.17 2.92 -1.32 0.14 -4.85 115.64 110.66 1pwq s THR 584 Ca 0.47 0.01 -0.04 0.00 -1.21 0.00 0.00 61.69 60.93 1pwq s THR 584 Cb -0.14 -0.30 -0.03 0.00 -1.51 0.00 0.00 72.50 70.52 1pwq s THR 584 CO 0.20 0.00 -0.03 -0.36 -2.21 0.00 0.00 174.62 172.22 1pwq s PHE 585 N 0.19 3.01 -0.46 9.09 2.99 -1.26 -1.99 117.98 129.55 1pwq s PHE 585 Ca -0.01 -0.38 0.03 0.00 0.00 0.00 0.00 56.93 56.57 1pwq s PHE 585 Cb -0.02 -1.99 0.13 0.00 0.00 0.00 0.00 43.02 41.14 1pwq s PHE 585 CO -0.00 -0.12 0.23 1.21 -0.00 0.00 0.00 175.22 176.54 1pwq s ASN 586 N 0.57 3.95 -0.04 1.36 3.84 -1.07 -4.99 114.94 118.55 1pwq s ASN 586 Ca -0.03 -2.71 0.03 0.00 0.21 0.00 0.00 52.86 50.37 1pwq s ASN 586 Cb -0.14 -1.27 0.00 0.00 -0.55 0.00 0.00 41.25 39.29 1pwq s ASN 586 CO 0.03 -0.26 -0.13 -0.69 -2.79 0.00 0.00 177.10 173.25 1pwq s VAL 587 N 0.19 1.14 0.00 -5.21 1.01 -1.26 -2.75 120.40 113.52 1pwq s VAL 587 Ca 0.17 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1pwq s VAL 587 Cb -0.25 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.14 1pwq s VAL 587 CO -0.01 0.34 0.23 1.41 0.00 0.00 0.00 175.10 177.07 1pwq n HIS 588 N 3.25 0.00 -4.60 5.22 8.25 -1.26 -5.06 115.22 121.02 1pwq n HIS 588 Ca -0.18 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.00 1pwq n HIS 588 Cb 0.53 0.11 -0.11 0.00 1.12 0.00 0.00 29.99 31.64 1pwq n HIS 588 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1pwq s ASN 589 N -0.04 3.77 0.39 0.41 0.02 -1.26 -3.91 114.94 114.32 1pwq s ASN 589 Ca 0.00 -1.35 0.02 0.00 -1.02 0.00 0.00 52.86 50.51 1pwq s ASN 589 Cb 0.00 -0.38 0.12 0.00 0.02 0.00 0.00 41.25 41.02 1pwq s ASN 589 CO 0.00 -0.43 0.89 0.03 0.02 0.00 0.00 177.10 177.60 1pwq h ARG 590 N 1.82 0.00 -0.02 -0.60 2.47 -0.41 0.73 114.38 118.37 1pwq h ARG 590 Ca -0.44 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.28 1pwq h ARG 590 Cb 1.24 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1pwq h ARG 590 CO 0.79 0.00 -0.05 0.98 0.56 0.00 0.00 179.97 182.25 1pwq n TYR 591 N -1.94 0.07 -0.31 3.04 9.36 -1.26 -4.42 117.16 121.69 1pwq n TYR 591 Ca -0.00 -1.05 -0.08 0.00 3.32 0.00 0.00 57.90 60.09 1pwq n TYR 591 Cb 0.73 -0.17 -0.07 0.00 -0.63 0.00 0.00 39.34 39.20 1pwq n TYR 591 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1pwq n ALA 592 N -1.35 -0.47 -0.26 2.98 0.00 0.24 -1.64 120.51 120.01 1pwq n ALA 592 Ca 0.17 0.62 0.22 0.00 0.00 0.00 0.00 53.44 54.45 1pwq n ALA 592 Cb 0.66 0.02 0.38 0.00 0.00 0.00 0.00 19.45 20.52 1pwq n ALA 592 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pwq n SER 593 N -4.65 0.13 -0.02 0.00 2.88 -0.19 0.97 113.62 112.74 1pwq n SER 593 Ca 0.01 0.81 -0.06 0.00 -1.33 0.00 0.00 58.87 58.31 1pwq n SER 593 Cb 0.19 -0.40 -0.13 0.00 -0.75 0.00 0.00 64.21 63.12 1pwq n SER 593 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1pwq n ASN 594 N -3.87 0.63 0.09 -3.46 2.85 -0.65 -3.68 115.26 107.17 1pwq n ASN 594 Ca 0.23 0.29 0.07 0.00 -0.11 0.00 0.00 54.58 55.06 1pwq n ASN 594 Cb 0.88 0.34 0.36 0.00 1.24 0.00 0.00 39.78 42.60 1pwq n ASN 594 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1pwq n ILE 595 N -2.89 1.36 -0.11 -1.44 2.08 0.27 -1.56 119.36 117.06 1pwq n ILE 595 Ca -0.18 0.58 -0.19 0.00 0.56 0.00 0.00 62.75 63.53 1pwq n ILE 595 Cb 0.99 -1.56 -0.07 0.00 -0.75 0.00 0.00 39.64 38.26 1pwq n ILE 595 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1pwq n VAL 596 N -1.94 1.51 0.31 1.39 0.31 -1.18 -4.01 118.33 114.71 1pwq n VAL 596 Ca -0.00 -0.08 0.19 0.00 -0.01 0.00 0.00 64.34 64.43 1pwq n VAL 596 Cb 0.05 -2.13 1.01 0.00 -0.91 0.00 0.00 33.84 31.86 1pwq n VAL 596 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1pwq h GLU 597 N -1.00 0.00 0.04 5.55 4.39 -1.59 -1.36 114.58 120.60 1pwq h GLU 597 Ca -0.33 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.15 1pwq h GLU 597 Cb 1.23 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.86 1pwq h GLU 597 CO -0.20 0.02 -1.04 0.66 -1.16 0.00 0.00 179.01 177.29 1pwq h SER 598 N 0.00 0.16 -0.34 1.42 4.64 -1.50 -3.22 113.55 114.70 1pwq h SER 598 Ca -0.00 -0.16 0.06 0.00 -0.47 0.00 0.00 61.79 61.22 1pwq h SER 598 Cb 0.14 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.12 1pwq h SER 598 CO 0.00 1.09 0.02 0.00 -0.87 0.00 0.00 176.83 177.07 1pwq h ALA 599 N 0.89 0.32 -0.11 5.18 0.00 -1.38 -1.23 119.26 122.93 1pwq h ALA 599 Ca -0.05 0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1pwq h ALA 599 Cb 1.77 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.66 1pwq h ALA 599 CO 0.15 -0.38 -0.29 1.88 0.00 0.00 0.00 179.25 180.61 1pwq h TYR 600 N 0.12 -0.86 -0.99 0.00 0.99 -1.56 -2.26 116.97 112.41 1pwq h TYR 600 Ca 0.16 0.04 0.11 0.00 2.00 0.00 0.00 58.73 61.04 1pwq h TYR 600 Cb 0.21 0.39 -0.08 0.00 1.00 0.00 0.00 36.73 38.25 1pwq h TYR 600 CO -0.22 -0.28 0.63 -0.07 -0.00 0.00 0.00 178.16 178.22 1pwq h LEU 601 N -0.28 0.93 -0.24 3.88 3.38 -1.58 0.38 115.31 121.78 1pwq h LEU 601 Ca 0.02 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1pwq h LEU 601 Cb 0.34 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1pwq h LEU 601 CO -0.25 0.51 -0.12 0.40 0.09 0.00 0.00 178.44 179.08 1pwq h ILE 602 N 1.01 0.64 -0.05 1.22 2.04 -0.75 0.51 117.51 122.12 1pwq h ILE 602 Ca 0.48 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 66.12 1pwq h ILE 602 Cb 0.45 0.64 0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1pwq h ILE 602 CO -0.24 0.00 -0.88 -0.07 0.00 0.00 0.00 178.15 176.95 1pwq h LEU 603 N -0.09 0.69 -0.82 1.44 3.38 -0.91 -1.65 115.31 117.34 1pwq h LEU 603 Ca 0.13 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1pwq h LEU 603 Cb 0.28 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1pwq h LEU 603 CO -0.29 1.29 0.00 -3.20 0.09 0.00 0.00 178.44 176.33 1pwq n ASN 604 N -3.83 0.33 -0.05 -0.43 5.15 0.13 -1.51 115.26 115.06 1pwq n ASN 604 Ca -0.07 0.65 -0.06 0.00 -0.60 0.00 0.00 54.58 54.50 1pwq n ASN 604 Cb 0.80 -0.69 -0.05 0.00 -0.53 0.00 0.00 39.78 39.30 1pwq n ASN 604 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1pwq n GLU 605 N -1.94 1.05 0.29 1.20 2.13 0.10 -3.97 120.64 119.49 1pwq n GLU 605 Ca -0.01 0.04 0.18 0.00 0.66 0.00 0.00 57.16 58.03 1pwq n GLU 605 Cb 0.03 -1.20 0.94 0.00 0.27 0.00 0.00 31.44 31.48 1pwq n GLU 605 CO 0.00 0.00 0.00 2.35 -0.41 0.00 0.00 177.13 179.07 1pwq h TRP 606 N 0.00 0.00 0.00 4.31 7.01 -0.65 -2.09 115.95 124.53 1pwq h TRP 606 Ca -0.22 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 60.72 1pwq h TRP 606 Cb 1.39 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.44 1pwq h TRP 606 CO 0.01 0.00 -0.42 -0.22 -2.79 0.00 0.00 178.44 175.01 1pwq h LYS 607 N 0.00 0.00 -0.11 2.65 3.64 -1.47 -3.35 116.57 117.93 1pwq h LYS 607 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1pwq h LYS 607 Cb 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1pwq h LYS 607 CO -0.00 0.53 0.00 0.09 -2.27 0.00 0.00 179.45 177.80 1pwq n ASN 608 N -4.61 0.11 0.00 4.20 5.03 -0.81 -2.15 115.26 117.03 1pwq n ASN 608 Ca -0.12 -0.64 0.00 0.00 0.87 0.00 0.00 54.58 54.69 1pwq n ASN 608 Cb 0.36 -0.06 0.00 0.00 -1.02 0.00 0.00 39.78 39.07 1pwq n ASN 608 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1pwq n ASN 609 N -0.21 0.57 -3.80 6.41 5.03 -1.06 -5.06 115.26 117.15 1pwq n ASN 609 Ca 0.00 -1.26 -0.12 0.00 0.87 0.00 0.00 54.58 54.06 1pwq n ASN 609 Cb 0.03 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 38.69 1pwq n ASN 609 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1pwq s ILE 610 N -0.26 0.05 0.02 2.41 1.01 -0.91 -4.83 121.20 118.69 1pwq s ILE 610 Ca 0.00 -0.42 -0.31 0.00 0.00 0.00 0.00 60.65 59.91 1pwq s ILE 610 Cb 0.00 -0.50 -0.10 0.00 0.01 0.00 0.00 42.46 41.87 1pwq s ILE 610 CO 0.00 -0.23 1.93 0.00 0.00 0.00 0.00 174.94 176.64 1pwq n GLN 611 N 1.74 2.69 0.30 2.79 3.00 -1.26 -4.79 117.38 121.84 1pwq n GLN 611 Ca -0.20 0.99 0.12 0.00 -0.01 0.00 0.00 57.00 57.90 1pwq n GLN 611 Cb 0.56 -2.91 0.64 0.00 0.00 0.00 0.00 30.24 28.54 1pwq n GLN 611 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 1pwq h SER 612 N 9.91 0.00 0.17 1.08 0.02 -1.99 -0.37 113.55 122.37 1pwq h SER 612 Ca -0.49 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.45 1pwq h SER 612 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1pwq h SER 612 CO 0.94 0.00 -0.08 0.44 -1.14 0.00 0.00 176.83 176.99 1pwq h ASP 613 N 0.00 -0.19 -0.46 3.07 3.32 -1.99 -2.88 116.42 117.29 1pwq h ASP 613 Ca 0.00 -0.22 0.02 0.00 0.02 0.00 0.00 57.03 56.85 1pwq h ASP 613 Cb 0.77 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 1pwq h ASP 613 CO 0.00 0.13 0.28 0.25 -1.72 0.00 0.00 179.24 178.17 1pwq h LEU 614 N -0.52 0.45 0.00 1.55 5.85 -1.43 -2.87 115.31 118.34 1pwq h LEU 614 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1pwq h LEU 614 Cb 0.40 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1pwq h LEU 614 CO 0.04 0.32 0.00 -0.38 -0.34 0.00 0.00 178.44 178.08 1pwq n ILE 615 N -4.82 0.00 -0.24 4.05 5.41 -1.17 -1.82 119.36 120.77 1pwq n ILE 615 Ca 0.02 1.01 -0.02 0.00 1.00 0.00 0.00 62.75 64.76 1pwq n ILE 615 Cb 0.06 -1.76 0.01 0.00 -0.71 0.00 0.00 39.64 37.25 1pwq n ILE 615 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1pwq n LYS 616 N -0.78 -0.17 0.19 0.38 5.02 -1.09 -0.32 118.16 121.39 1pwq n LYS 616 Ca 0.00 0.95 -0.16 0.00 -2.02 0.00 0.00 58.31 57.08 1pwq n LYS 616 Cb 0.00 -1.41 -0.08 0.00 -0.02 0.00 0.00 35.03 33.52 1pwq n LYS 616 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1pwq h LYS 617 N 0.00 -0.73 0.72 1.97 1.79 -1.50 -2.50 116.57 116.31 1pwq h LYS 617 Ca 0.19 0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.68 1pwq h LYS 617 Cb 0.35 0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1pwq h LYS 617 CO -0.61 -0.49 -0.42 0.28 -1.08 0.00 0.00 179.45 177.14 1pwq h VAL 618 N -0.76 0.00 0.00 0.50 2.07 0.12 -2.82 116.25 115.36 1pwq h VAL 618 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1pwq h VAL 618 Cb 0.72 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1pwq h VAL 618 CO -0.14 0.00 0.02 0.35 0.02 0.00 0.00 177.57 177.82 1pwq n THR 619 N -5.05 1.41 0.01 2.57 -2.24 -0.03 0.50 114.28 111.45 1pwq n THR 619 Ca -0.13 0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 61.94 1pwq n THR 619 Cb 0.43 -1.38 -0.13 0.00 -2.10 0.00 0.00 70.33 67.15 1pwq n THR 619 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1pwq h ASN 620 N 0.00 0.02 0.01 3.42 -0.26 -1.19 -1.43 115.58 116.15 1pwq h ASN 620 Ca 0.00 -0.04 -0.00 0.00 -0.56 0.00 0.00 56.30 55.70 1pwq h ASN 620 Cb 0.05 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.30 1pwq h ASN 620 CO 0.00 1.03 -0.00 0.22 -1.06 0.00 0.00 177.43 177.62 1pwq h TYR 621 N 0.00 -0.01 0.44 1.19 3.20 0.16 0.13 116.97 122.08 1pwq h TYR 621 Ca -0.20 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.66 1pwq h TYR 621 Cb 1.94 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 40.20 1pwq h TYR 621 CO 0.00 0.23 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.33 1pwq h LEU 622 N -0.25 -0.95 -1.06 2.82 3.38 -1.47 -2.54 115.31 115.24 1pwq h LEU 622 Ca -0.00 0.07 0.22 0.00 0.09 0.00 0.00 57.88 58.26 1pwq h LEU 622 Cb 0.24 0.31 -0.11 0.00 0.09 0.00 0.00 40.66 41.19 1pwq h LEU 622 CO 0.00 -0.52 0.61 0.58 0.09 0.00 0.00 178.44 179.20 1pwq h VAL 623 N -0.79 0.63 -0.01 1.22 2.07 -1.13 -0.61 116.25 117.62 1pwq h VAL 623 Ca -0.04 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1pwq h VAL 623 Cb 0.69 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1pwq h VAL 623 CO -0.02 0.12 0.01 -0.78 0.02 0.00 0.00 177.57 176.92 1pwq h ASP 624 N 0.65 0.00 -1.33 0.57 3.58 -0.30 -2.48 116.42 117.11 1pwq h ASP 624 Ca 0.60 0.00 -0.63 0.00 0.42 0.00 0.00 57.03 57.43 1pwq h ASP 624 Cb 1.09 0.00 -0.38 0.00 1.72 0.00 0.00 39.33 41.76 1pwq h ASP 624 CO -0.40 0.00 -0.20 0.61 -2.88 0.00 0.00 179.24 176.37 1pwq n GLY 625 N -1.30 6.01 2.21 -0.78 0.00 -0.37 -4.88 105.19 106.07 1pwq n GLY 625 Ca -0.03 -2.63 -0.06 0.00 0.00 0.00 0.00 46.02 43.31 1pwq n GLY 625 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pwq n ASN 626 N -0.61 -3.14 -4.14 1.61 4.13 -0.93 -4.68 115.26 107.49 1pwq n ASN 626 Ca 0.46 0.14 -0.35 0.00 1.68 0.00 0.00 54.58 56.51 1pwq n ASN 626 Cb 0.66 -2.52 0.07 0.00 -1.54 0.00 0.00 39.78 36.46 1pwq n ASN 626 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pwq n GLY 627 N 0.16 -3.48 3.23 7.41 0.00 -0.40 -4.97 105.19 107.13 1pwq n GLY 627 Ca -0.06 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 1pwq n GLY 627 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pwq s ARG 628 N -2.58 0.70 -0.42 1.61 1.81 -1.10 -4.70 118.95 114.28 1pwq s ARG 628 Ca 0.45 -0.33 -0.06 0.00 -1.72 0.00 0.00 55.73 54.07 1pwq s ARG 628 Cb -0.14 0.30 0.10 0.00 -0.45 0.00 0.00 34.95 34.77 1pwq s ARG 628 CO 0.74 -0.20 0.23 -0.06 -0.68 0.00 0.00 175.30 175.34 1pwq s PHE 629 N -1.79 3.46 -0.30 -0.53 2.99 0.00 0.06 117.98 121.88 1pwq s PHE 629 Ca -0.10 -2.02 -0.09 0.00 0.00 0.00 0.00 56.93 54.71 1pwq s PHE 629 Cb -0.04 -3.13 -0.01 0.00 0.00 0.00 0.00 43.02 39.85 1pwq s PHE 629 CO 0.01 -0.93 0.13 0.08 -0.00 0.00 0.00 175.22 174.51 1pwq s VAL 630 N 1.27 4.49 -0.49 -0.44 1.01 -0.05 0.28 120.40 126.48 1pwq s VAL 630 Ca 0.05 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 1pwq s VAL 630 Cb -0.23 -3.27 0.13 0.00 0.00 0.00 0.00 36.38 33.00 1pwq s VAL 630 CO -0.02 0.10 0.36 -0.36 0.00 0.00 0.00 175.10 175.19 1pwq s PHE 631 N 1.60 3.45 0.24 5.22 0.40 -0.84 0.08 117.98 128.13 1pwq s PHE 631 Ca 0.05 -1.98 0.04 0.00 -0.60 0.00 0.00 56.93 54.44 1pwq s PHE 631 Cb -0.17 -3.48 -0.05 0.00 0.51 0.00 0.00 43.02 39.83 1pwq s PHE 631 CO 0.05 -0.98 -0.02 -0.08 0.70 0.00 0.00 175.22 174.89 1pwq s THR 632 N 1.20 1.19 -0.22 0.64 -1.32 -0.68 -2.61 115.64 113.84 1pwq s THR 632 Ca 0.07 -2.06 0.19 0.00 -1.21 0.00 0.00 61.69 58.69 1pwq s THR 632 Cb -0.25 -2.34 0.48 0.00 -1.51 0.00 0.00 72.50 68.88 1pwq s THR 632 CO -0.02 -0.34 1.14 -0.90 -2.21 0.00 0.00 174.62 172.30 1pwq n ASP 633 N -0.45 2.18 -4.36 8.08 5.75 -1.11 -2.89 116.55 123.75 1pwq n ASP 633 Ca -0.05 -2.50 -0.28 0.00 -0.01 0.00 0.00 54.79 51.95 1pwq n ASP 633 Cb 0.64 -0.42 -0.13 0.00 -1.03 0.00 0.00 41.12 40.17 1pwq n ASP 633 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1pwq s ILE 634 N -3.28 2.13 0.12 2.12 -4.36 -1.26 -4.79 121.20 111.88 1pwq s ILE 634 Ca 0.34 -1.69 -0.33 0.00 -0.26 0.00 0.00 60.65 58.71 1pwq s ILE 634 Cb 0.35 -1.89 -0.18 0.00 1.25 0.00 0.00 42.46 41.99 1pwq s ILE 634 CO -0.05 0.07 0.73 0.41 0.24 0.00 0.00 174.94 176.34 1pwq n THR 635 N 0.99 1.24 -0.15 8.37 -1.04 -0.81 -4.78 114.28 118.09 1pwq n THR 635 Ca -0.18 -0.31 -0.01 0.00 -2.04 0.00 0.00 64.05 61.51 1pwq n THR 635 Cb 0.53 -0.01 0.24 0.00 -1.82 0.00 0.00 70.33 69.27 1pwq n THR 635 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1pwq h LEU 636 N 1.78 0.78 0.00 -4.42 5.85 -1.88 -1.60 115.31 115.81 1pwq h LEU 636 Ca -0.37 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1pwq h LEU 636 Cb 1.44 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1pwq h LEU 636 CO 0.60 0.66 0.00 -2.65 -0.34 0.00 0.00 178.44 176.71 1pwq n PRO 637 N -4.35 0.00 -0.35 5.25 -0.02 -1.13 -1.56 135.00 132.83 1pwq n PRO 637 Ca 0.06 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.62 1pwq n PRO 637 Cb 0.13 -1.29 0.22 0.00 -0.02 0.00 0.00 33.50 32.54 1pwq n PRO 637 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1pwq n ASN 638 N -0.75 3.50 -4.59 2.55 3.02 -0.60 -4.57 115.26 113.81 1pwq n ASN 638 Ca 0.00 -2.89 -0.36 0.00 -0.03 0.00 0.00 54.58 51.30 1pwq n ASN 638 Cb 0.00 -0.48 -0.10 0.00 -0.61 0.00 0.00 39.78 38.59 1pwq n ASN 638 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pwq s ILE 639 N -2.59 4.96 0.32 2.41 1.09 -0.60 -4.97 121.20 121.82 1pwq s ILE 639 Ca 0.37 0.04 0.10 0.00 -1.10 0.00 0.00 60.65 60.07 1pwq s ILE 639 Cb 0.30 -3.30 0.32 0.00 -1.06 0.00 0.00 42.46 38.71 1pwq s ILE 639 CO 0.08 0.36 1.68 0.00 -0.10 0.00 0.00 174.94 176.96 1pwq h ALA 640 N 7.58 1.75 0.00 9.38 0.00 -1.93 0.30 119.26 136.34 1pwq h ALA 640 Ca -0.37 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1pwq h ALA 640 Cb 1.17 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1pwq h ALA 640 CO 0.63 -0.47 0.00 0.39 0.00 0.00 0.00 179.25 179.81 1pwq n GLU 641 N -5.05 0.00 0.00 0.00 4.71 -1.26 -1.86 120.64 117.18 1pwq n GLU 641 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.43 1pwq n GLU 641 Cb 0.85 -1.39 0.00 0.00 -1.01 0.00 0.00 31.44 29.89 1pwq n GLU 641 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 1pwq n GLN 642 N -0.89 0.81 0.13 3.49 7.27 0.10 -4.68 117.38 123.62 1pwq n GLN 642 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 57.00 57.19 1pwq n GLN 642 Cb 0.00 -0.72 0.06 0.00 2.41 0.00 0.00 30.24 31.99 1pwq n GLN 642 CO 0.00 0.00 0.00 0.10 0.07 0.00 0.00 177.06 177.23 1pwq h TYR 643 N 0.00 0.00 0.00 3.69 -0.00 -1.27 -2.92 116.97 116.46 1pwq h TYR 643 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1pwq h TYR 643 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.18 1pwq h TYR 643 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 178.41 1pwq n THR 644 N -2.75 0.79 0.38 -0.90 -2.24 -0.78 -3.27 114.28 105.53 1pwq n THR 644 Ca 0.01 0.16 0.04 0.00 -2.27 0.00 0.00 64.05 62.00 1pwq n THR 644 Cb 0.54 -1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 67.76 1pwq n THR 644 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1pwq n HIS 645 N -1.95 0.00 -3.04 4.78 8.25 -1.19 -5.02 115.22 117.05 1pwq n HIS 645 Ca 0.03 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.10 1pwq n HIS 645 Cb 0.24 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.30 1pwq n HIS 645 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1pwq s GLN 646 N -1.36 4.46 0.00 -0.41 -1.52 -1.11 -5.02 119.66 114.70 1pwq s GLN 646 Ca 0.06 1.00 0.00 0.00 -1.95 0.00 0.00 55.36 54.47 1pwq s GLN 646 Cb 0.07 -3.34 0.00 0.00 -0.22 0.00 0.00 33.01 29.52 1pwq s GLN 646 CO 0.24 0.35 0.02 -0.25 -0.25 0.00 0.00 175.29 175.40 1pwq n ASP 647 N 2.61 0.00 -4.89 5.90 8.00 -1.26 -4.82 116.55 122.08 1pwq n ASP 647 Ca -0.04 0.02 -0.29 0.00 0.71 0.00 0.00 54.79 55.19 1pwq n ASP 647 Cb 0.50 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.59 1pwq n ASP 647 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1pwq s GLU 648 N -0.04 3.62 0.12 -1.24 0.41 -1.26 -5.02 118.70 115.29 1pwq s GLU 648 Ca 0.00 0.34 -0.06 0.00 -0.41 0.00 0.00 54.97 54.83 1pwq s GLU 648 Cb 0.00 -2.35 -0.12 0.00 -1.78 0.00 0.00 34.13 29.88 1pwq s GLU 648 CO 0.00 -0.19 1.29 0.82 -0.49 0.00 0.00 175.26 176.69 1pwq h ILE 649 N 0.43 1.37 0.00 -1.63 2.04 -1.93 -3.12 117.51 114.67 1pwq h ILE 649 Ca -0.47 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.01 1pwq h ILE 649 Cb 1.20 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 39.66 1pwq h ILE 649 CO 0.62 0.72 0.00 0.00 0.00 0.00 0.00 178.15 179.49 1pwq n TYR 650 N -3.78 0.00 0.10 1.37 0.18 -1.26 -0.93 117.16 112.84 1pwq n TYR 650 Ca -0.07 0.00 0.09 0.00 1.88 0.00 0.00 57.90 59.79 1pwq n TYR 650 Cb 0.84 -0.19 -0.01 0.00 -0.38 0.00 0.00 39.34 39.60 1pwq n TYR 650 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 1pwq h GLU 651 N 0.00 0.00 -7.06 -3.48 4.39 -1.92 -3.47 114.58 103.03 1pwq h GLU 651 Ca 0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 1pwq h GLU 651 Cb 0.02 0.00 0.21 0.00 -0.10 0.00 0.00 28.75 28.87 1pwq h GLU 651 CO 0.00 0.08 -0.10 1.04 -1.16 0.00 0.00 179.01 178.86 1pwq n GLN 652 N -2.77 -0.36 -4.30 2.33 6.02 -0.11 -5.03 117.38 113.16 1pwq n GLN 652 Ca -0.02 -0.05 -0.16 0.00 -0.01 0.00 0.00 57.00 56.77 1pwq n GLN 652 Cb 0.62 -2.16 -0.10 0.00 1.02 0.00 0.00 30.24 29.61 1pwq n GLN 652 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1pwq s VAL 653 N -2.51 0.69 0.00 5.09 -7.23 -1.26 -5.04 120.40 110.15 1pwq s VAL 653 Ca 0.63 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.80 1pwq s VAL 653 Cb -0.23 -2.45 -0.00 0.00 0.56 0.00 0.00 36.38 34.26 1pwq s VAL 653 CO 0.61 -0.19 0.00 -2.28 -0.31 0.00 0.00 175.10 172.94 1pwq s HIS 654 N -3.65 0.05 -0.03 2.82 2.46 -1.26 -2.84 115.29 112.83 1pwq s HIS 654 Ca 0.32 -0.10 -0.13 0.00 0.47 0.00 0.00 55.06 55.62 1pwq s HIS 654 Cb 0.07 -0.04 0.04 0.00 -0.13 0.00 0.00 32.58 32.52 1pwq s HIS 654 CO 0.10 -0.05 0.59 -1.13 -2.47 0.00 0.00 174.74 171.78 1pwq n SER 655 N 2.71 -0.48 -0.19 9.88 3.41 -1.26 -5.03 113.62 122.67 1pwq n SER 655 Ca -0.15 -1.04 -0.09 0.00 -0.26 0.00 0.00 58.87 57.32 1pwq n SER 655 Cb 0.59 0.73 0.01 0.00 -0.26 0.00 0.00 64.21 65.27 1pwq n SER 655 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1pwq h LYS 656 N 0.00 0.90 -3.63 4.33 3.11 -1.93 -3.39 116.57 115.96 1pwq h LYS 656 Ca -0.09 -0.26 -0.10 0.00 -2.81 0.00 0.00 60.65 57.39 1pwq h LYS 656 Cb 0.52 -0.09 -0.07 0.00 -1.00 0.00 0.00 32.23 31.58 1pwq h LYS 656 CO 0.13 0.90 -0.05 0.20 -2.81 0.00 0.00 179.45 177.82 1pwq s GLY 657 N -3.39 0.73 -0.27 5.01 0.00 -1.26 0.84 107.32 108.97 1pwq s GLY 657 Ca -0.12 -0.99 -0.27 0.00 0.00 0.00 0.00 44.72 43.33 1pwq s GLY 657 CO 0.82 -0.64 1.31 -2.27 0.00 0.00 0.00 173.10 172.32 1pwq s LEU 658 N -3.08 -0.13 -0.08 0.66 0.20 0.05 -4.97 118.68 111.33 1pwq s LEU 658 Ca 0.23 0.20 0.04 0.00 0.69 0.00 0.00 54.13 55.29 1pwq s LEU 658 Cb -0.02 1.28 -0.00 0.00 -0.43 0.00 0.00 46.19 47.02 1pwq s LEU 658 CO 0.12 -0.08 -0.22 -0.47 -0.29 0.00 0.00 176.35 175.41 1pwq s TYR 659 N -0.51 2.31 -0.19 5.38 5.04 -1.26 -0.21 117.35 127.91 1pwq s TYR 659 Ca 0.06 -0.83 0.01 0.00 -2.44 0.00 0.00 57.07 53.87 1pwq s TYR 659 Cb -0.03 -1.55 0.03 0.00 0.35 0.00 0.00 41.96 40.77 1pwq s TYR 659 CO -0.09 -0.31 -0.15 0.14 -1.34 0.00 0.00 175.55 173.79 1pwq s VAL 660 N 0.19 1.88 0.13 3.14 -7.23 -1.05 -5.00 120.40 112.46 1pwq s VAL 660 Ca -0.12 -1.02 -0.32 0.00 -1.81 0.00 0.00 61.98 58.71 1pwq s VAL 660 Cb -0.16 -1.82 -0.10 0.00 0.56 0.00 0.00 36.38 34.86 1pwq s VAL 660 CO 0.06 0.34 1.56 -0.65 -0.31 0.00 0.00 175.10 176.09 1pwq h PRO 661 N 7.94 -0.47 -0.72 4.82 0.11 -1.96 0.57 132.00 142.29 1pwq h PRO 661 Ca -0.35 0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.88 1pwq h PRO 661 Cb 1.11 0.11 -0.10 0.00 0.11 0.00 0.00 31.00 32.23 1pwq h PRO 661 CO 0.55 -0.31 -0.34 0.39 -0.21 0.00 0.00 178.00 178.07 1pwq n GLU 662 N -5.41 -0.23 0.00 1.05 4.71 -1.26 0.36 120.64 119.85 1pwq n GLU 662 Ca -0.04 1.09 0.11 0.00 -0.01 0.00 0.00 57.16 58.31 1pwq n GLU 662 Cb 0.36 -1.61 0.03 0.00 -1.01 0.00 0.00 31.44 29.21 1pwq n GLU 662 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1pwq n SER 663 N -4.98 1.48 -3.63 1.62 3.41 -1.13 -4.98 113.62 105.41 1pwq n SER 663 Ca 0.05 -1.19 -0.27 0.00 -0.26 0.00 0.00 58.87 57.20 1pwq n SER 663 Cb 0.24 0.58 0.03 0.00 -0.26 0.00 0.00 64.21 64.80 1pwq n SER 663 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pwq n ARG 664 N -0.66 -1.24 -3.95 4.33 1.74 0.20 -3.44 116.66 113.64 1pwq n ARG 664 Ca 0.08 0.61 -0.11 0.00 -0.77 0.00 0.00 57.85 57.66 1pwq n ARG 664 Cb 0.40 -4.01 -0.13 0.00 -1.02 0.00 0.00 32.46 27.70 1pwq n ARG 664 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1pwq s SER 665 N -3.34 0.19 -0.24 0.55 0.01 -1.15 -2.71 113.70 107.02 1pwq s SER 665 Ca 0.35 -0.24 -0.09 0.00 1.31 0.00 0.00 55.95 57.28 1pwq s SER 665 Cb -0.13 0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.10 1pwq s SER 665 CO 0.86 -0.13 0.12 -0.63 0.41 0.00 0.00 173.24 173.87 1pwq s ILE 666 N -0.68 4.96 -0.21 1.44 1.01 0.11 -2.53 121.20 125.29 1pwq s ILE 666 Ca -0.07 0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.55 1pwq s ILE 666 Cb -0.05 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 1pwq s ILE 666 CO -0.00 0.35 0.05 -0.76 0.00 0.00 0.00 174.94 174.58 1pwq s LEU 667 N 1.22 3.54 -0.18 2.97 1.43 0.71 -0.87 118.68 127.50 1pwq s LEU 667 Ca 0.06 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1pwq s LEU 667 Cb -0.14 -1.92 0.04 0.00 0.03 0.00 0.00 46.19 44.20 1pwq s LEU 667 CO 0.05 0.06 -0.10 -0.22 0.23 0.00 0.00 176.35 176.37 1pwq s LEU 668 N 1.05 1.98 0.00 1.79 2.96 0.11 -0.77 118.68 125.80 1pwq s LEU 668 Ca 0.04 -0.73 -0.11 0.00 -0.22 0.00 0.00 54.13 53.10 1pwq s LEU 668 Cb -0.14 -1.15 0.17 0.00 0.50 0.00 0.00 46.19 45.57 1pwq s LEU 668 CO 0.03 -0.13 0.63 1.57 -1.32 0.00 0.00 176.35 177.13 1pwq n HIS 669 N 4.75 -3.54 0.00 5.38 -0.00 0.25 -1.68 115.22 120.37 1pwq n HIS 669 Ca -0.15 -0.57 0.00 0.00 -0.00 0.00 0.00 57.72 57.00 1pwq n HIS 669 Cb 0.48 -0.64 0.00 0.00 -0.00 0.00 0.00 29.99 29.83 1pwq n HIS 669 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1pwq n GLY 670 N -1.49 0.08 2.37 1.57 0.00 -1.14 -4.71 105.19 101.87 1pwq n GLY 670 Ca 0.09 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1pwq n GLY 670 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1pwq n PRO 671 N -1.45 3.53 -3.83 1.61 -0.02 -1.26 -4.68 135.00 128.89 1pwq n PRO 671 Ca 0.00 -2.55 -0.06 0.00 -2.02 0.00 0.00 63.50 58.87 1pwq n PRO 671 Cb 0.00 -2.47 0.01 0.00 -0.02 0.00 0.00 33.50 31.01 1pwq n PRO 671 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1pwq s SER 672 N 1.04 -0.08 -0.05 2.55 1.04 -1.26 -4.25 113.70 112.68 1pwq s SER 672 Ca 0.61 -0.77 0.01 0.00 0.48 0.00 0.00 55.95 56.28 1pwq s SER 672 Cb 0.25 0.67 0.02 0.00 0.10 0.00 0.00 66.02 67.05 1pwq s SER 672 CO -0.10 -1.29 -0.07 -0.75 0.98 0.00 0.00 173.24 172.01 1pwq s LYS 673 N -2.79 1.08 0.47 4.02 2.20 -1.26 -4.05 119.74 119.41 1pwq s LYS 673 Ca 0.16 -0.19 -0.21 0.00 -0.36 0.00 0.00 55.97 55.37 1pwq s LYS 673 Cb -0.04 -1.01 -0.09 0.00 -1.51 0.00 0.00 37.83 35.19 1pwq s LYS 673 CO 0.07 -0.06 1.04 0.20 -0.36 0.00 0.00 175.35 176.25 1pwq s GLY 674 N 0.87 2.56 -0.78 5.54 0.00 -1.26 -4.72 107.32 109.52 1pwq s GLY 674 Ca -0.12 0.63 -0.13 0.00 0.00 0.00 0.00 44.72 45.10 1pwq s GLY 674 CO 0.01 0.97 1.84 -0.62 0.00 0.00 0.00 173.10 175.30 1pwq n VAL 675 N -0.79 0.00 -3.18 1.40 0.31 -1.26 -2.00 118.33 112.82 1pwq n VAL 675 Ca 0.08 -0.25 -0.07 0.00 -0.01 0.00 0.00 64.34 64.10 1pwq n VAL 675 Cb 0.52 -0.14 0.01 0.00 -0.91 0.00 0.00 33.84 33.31 1pwq n VAL 675 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1pwq n GLU 676 N 5.15 -0.95 -3.14 5.55 -0.58 -1.26 -4.97 120.64 120.44 1pwq n GLU 676 Ca 0.53 1.14 -0.18 0.00 -0.42 0.00 0.00 57.16 58.22 1pwq n GLU 676 Cb 0.08 -1.77 -0.03 0.00 -0.57 0.00 0.00 31.44 29.15 1pwq n GLU 676 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1pwq n LEU 677 N 0.95 0.25 0.00 -4.62 4.77 -0.85 -5.05 117.00 112.45 1pwq n LEU 677 Ca -0.01 -4.75 0.00 0.00 -0.03 0.00 0.00 56.01 51.22 1pwq n LEU 677 Cb 0.47 0.72 0.00 0.00 -2.33 0.00 0.00 43.42 42.28 1pwq n LEU 677 CO 0.15 2.20 0.00 0.54 -1.33 0.00 0.00 177.39 178.96 1pwq n ARG 678 N 0.64 0.00 -3.87 3.23 5.12 -1.26 -4.34 116.66 116.18 1pwq n ARG 678 Ca 0.22 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.80 1pwq n ARG 678 Cb 0.63 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.88 1pwq n ARG 678 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1pwq s ASN 679 N -2.32 6.40 0.04 0.55 -0.87 -1.26 -5.00 114.94 112.48 1pwq s ASN 679 Ca 0.00 0.40 -0.21 0.00 -1.57 0.00 0.00 52.86 51.48 1pwq s ASN 679 Cb 0.00 -2.02 -0.14 0.00 -0.02 0.00 0.00 41.25 39.07 1pwq s ASN 679 CO 0.00 0.26 1.37 0.44 -2.57 0.00 0.00 177.10 176.60 1pwq h ASP 680 N 3.84 0.34 -0.73 -1.22 3.32 -1.98 -3.27 116.42 116.72 1pwq h ASP 680 Ca -0.49 -0.45 0.07 0.00 0.02 0.00 0.00 57.03 56.18 1pwq h ASP 680 Cb 1.19 -0.10 -0.10 0.00 0.22 0.00 0.00 39.33 40.55 1pwq h ASP 680 CO 0.68 0.72 -0.52 0.77 -1.72 0.00 0.00 179.24 179.17 1pwq h SER 681 N -0.03 -1.87 0.00 6.45 4.64 -1.93 -2.46 113.55 118.35 1pwq h SER 681 Ca 0.03 0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1pwq h SER 681 Cb 0.61 0.81 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1pwq h SER 681 CO 0.03 -0.26 0.00 -0.62 -0.87 0.00 0.00 176.83 175.11 1pwq n GLU 682 N -5.05 0.00 -0.47 4.77 1.02 -1.23 0.26 120.64 119.94 1pwq n GLU 682 Ca 0.00 0.38 0.39 0.00 -0.02 0.00 0.00 57.16 57.92 1pwq n GLU 682 Cb 0.26 -0.62 0.68 0.00 -0.02 0.00 0.00 31.44 31.73 1pwq n GLU 682 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1pwq h GLY 683 N 0.00 1.24 1.47 0.62 0.00 -1.61 2.02 103.07 106.81 1pwq h GLY 683 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1pwq h GLY 683 CO 0.00 -0.41 0.23 -2.75 0.00 0.00 0.00 176.54 173.62 1pwq h PHE 684 N 0.05 0.69 -0.07 5.60 3.57 0.38 -2.31 116.94 124.84 1pwq h PHE 684 Ca 0.85 -0.02 -0.19 0.00 3.53 0.00 0.00 57.97 62.14 1pwq h PHE 684 Cb 2.76 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 41.30 1pwq h PHE 684 CO -0.01 0.52 -0.69 0.82 -2.23 0.00 0.00 178.31 176.72 1pwq h ILE 685 N 0.70 1.34 -0.88 1.41 2.04 0.38 -2.78 117.51 119.72 1pwq h ILE 685 Ca 0.17 -1.99 0.25 0.00 1.00 0.00 0.00 64.86 64.30 1pwq h ILE 685 Cb 0.09 2.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.39 1pwq h ILE 685 CO -0.02 0.61 0.75 -0.74 0.00 0.00 0.00 178.15 178.74 1pwq h HIS 686 N 0.23 0.00 0.12 1.37 2.76 -0.86 0.56 115.15 119.33 1pwq h HIS 686 Ca -0.07 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 57.80 1pwq h HIS 686 Cb 1.35 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.30 1pwq h HIS 686 CO 0.11 0.00 -1.49 0.93 -1.30 0.00 0.00 177.93 176.18 1pwq h GLU 687 N 0.00 0.25 -0.72 5.26 4.39 -1.32 -3.29 114.58 119.16 1pwq h GLU 687 Ca 0.42 -0.43 0.01 0.00 0.34 0.00 0.00 59.36 59.70 1pwq h GLU 687 Cb 1.91 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 30.68 1pwq h GLU 687 CO -0.00 1.12 0.47 0.35 -1.16 0.00 0.00 179.01 179.79 1pwq h PHE 688 N 0.07 0.89 -0.68 4.33 3.57 0.36 -0.52 116.94 124.96 1pwq h PHE 688 Ca -0.23 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.41 1pwq h PHE 688 Cb 2.01 -0.30 -0.09 0.00 2.79 0.00 0.00 35.95 40.36 1pwq h PHE 688 CO 0.06 0.55 0.23 0.78 -2.23 0.00 0.00 178.31 177.71 1pwq h GLY 689 N 0.95 0.96 0.71 2.40 0.00 -1.33 0.56 103.07 107.33 1pwq h GLY 689 Ca 0.27 -0.10 0.06 0.00 0.00 0.00 0.00 47.33 47.55 1pwq h GLY 689 CO -0.06 -0.08 0.41 0.45 0.00 0.00 0.00 176.54 177.25 1pwq h HIS 690 N 0.38 0.75 0.08 5.60 3.86 -1.21 0.34 115.15 124.96 1pwq h HIS 690 Ca 0.36 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.61 1pwq h HIS 690 Cb 0.52 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 1pwq h HIS 690 CO -0.19 0.37 -0.21 0.00 0.86 0.00 0.00 177.93 178.76 1pwq h ALA 691 N 1.35 -0.33 -0.55 2.45 0.00 0.38 -1.57 119.26 121.00 1pwq h ALA 691 Ca 0.31 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.27 1pwq h ALA 691 Cb 0.16 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1pwq h ALA 691 CO -0.17 -0.73 0.23 0.28 0.00 0.00 0.00 179.25 178.86 1pwq h VAL 692 N -0.38 0.85 0.00 0.00 2.07 0.69 0.63 116.25 120.11 1pwq h VAL 692 Ca 0.04 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1pwq h VAL 692 Cb 0.41 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1pwq h VAL 692 CO -0.14 0.08 0.04 -0.78 0.02 0.00 0.00 177.57 176.79 1pwq h ASP 693 N 0.43 0.00 0.12 0.57 -0.00 0.23 -1.91 116.42 115.86 1pwq h ASP 693 Ca 0.26 0.00 -0.27 0.00 -0.00 0.00 0.00 57.03 57.02 1pwq h ASP 693 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.59 1pwq h ASP 693 CO -0.24 0.00 -1.35 -0.78 -0.00 0.00 0.00 179.24 176.87 1pwq h ASP 694 N 0.00 0.41 -0.49 2.28 1.82 0.08 0.61 116.42 121.13 1pwq h ASP 694 Ca 0.00 -0.87 -0.13 0.00 -0.39 0.00 0.00 57.03 55.64 1pwq h ASP 694 Cb 0.08 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 39.94 1pwq h ASP 694 CO 0.00 1.60 -0.19 0.22 -1.61 0.00 0.00 179.24 179.26 1pwq h TYR 695 N -0.29 1.13 0.00 0.28 3.20 -0.87 -1.62 116.97 118.80 1pwq h TYR 695 Ca -0.28 -0.27 0.00 0.00 3.14 0.00 0.00 58.73 61.32 1pwq h TYR 695 Cb 1.77 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.77 1pwq h TYR 695 CO 0.13 1.09 0.00 0.00 -1.64 0.00 0.00 178.16 177.75 1pwq n ALA 696 N -2.51 -0.33 -0.28 1.82 0.00 -0.77 -0.19 120.51 118.24 1pwq n ALA 696 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1pwq n ALA 696 Cb 0.45 0.04 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 1pwq n ALA 696 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pwq n GLY 697 N -0.87 -1.57 0.38 0.00 0.00 -1.23 0.22 105.19 102.10 1pwq n GLY 697 Ca 0.00 0.80 -0.11 0.00 0.00 0.00 0.00 46.02 46.71 1pwq n GLY 697 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1pwq h TYR 698 N 0.00 -1.54 -0.03 1.61 -0.00 -1.10 0.64 116.97 116.55 1pwq h TYR 698 Ca 0.20 0.09 0.01 0.00 -0.00 0.00 0.00 58.73 59.03 1pwq h TYR 698 Cb 0.37 0.75 -0.00 0.00 -0.00 0.00 0.00 36.73 37.85 1pwq h TYR 698 CO -0.65 -0.37 0.45 -0.07 -0.00 0.00 0.00 178.16 177.52 1pwq h LEU 699 N -0.18 0.00 0.10 2.82 3.38 0.60 -2.24 115.31 119.79 1pwq h LEU 699 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1pwq h LEU 699 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1pwq h LEU 699 CO -0.65 0.00 -0.05 -0.07 0.09 0.00 0.00 178.44 177.77 1pwq h LEU 700 N 0.00 -0.12 -6.73 1.67 3.38 0.13 -3.40 115.31 110.24 1pwq h LEU 700 Ca 0.02 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.37 1pwq h LEU 700 Cb 0.92 0.03 -0.41 0.00 0.09 0.00 0.00 40.66 41.29 1pwq h LEU 700 CO -0.00 0.01 -0.51 0.47 0.09 0.00 0.00 178.44 178.50 1pwq n ASP 701 N -2.89 3.52 0.00 -0.43 8.00 -1.10 -5.01 116.55 118.64 1pwq n ASP 701 Ca -0.02 -3.31 0.00 0.00 0.71 0.00 0.00 54.79 52.17 1pwq n ASP 701 Cb 0.05 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.40 1pwq n ASP 701 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1pwq n LYS 702 N 1.50 0.00 -0.03 -1.24 5.02 -0.86 -1.59 118.16 120.97 1pwq n LYS 702 Ca 0.24 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.50 1pwq n LYS 702 Cb 0.38 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.35 1pwq n LYS 702 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1pwq n ASN 703 N -2.01 3.70 -1.82 4.39 2.85 -1.26 -4.65 115.26 116.47 1pwq n ASN 703 Ca 0.00 -0.01 -0.06 0.00 -0.11 0.00 0.00 54.58 54.40 1pwq n ASN 703 Cb 0.00 0.40 -0.09 0.00 1.24 0.00 0.00 39.78 41.33 1pwq n ASN 703 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1pwq n GLN 704 N -2.34 1.44 -0.95 1.20 -0.06 -0.62 -4.92 117.38 111.14 1pwq n GLN 704 Ca -0.09 -0.52 -0.38 0.00 -2.00 0.00 0.00 57.00 54.02 1pwq n GLN 704 Cb 0.65 -1.56 -0.06 0.00 -4.06 0.00 0.00 30.24 25.21 1pwq n GLN 704 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1pwq n SER 705 N 2.10 0.65 -3.69 1.69 3.41 -1.26 -4.95 113.62 111.57 1pwq n SER 705 Ca 0.22 0.63 -0.11 0.00 -0.26 0.00 0.00 58.87 59.36 1pwq n SER 705 Cb 0.68 -0.50 -0.11 0.00 -0.26 0.00 0.00 64.21 64.02 1pwq n SER 705 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pwq s ASP 706 N 1.90 -0.34 0.14 4.04 -1.08 -1.26 -5.02 116.67 115.05 1pwq s ASP 706 Ca 0.60 0.80 -0.33 0.00 -0.52 0.00 0.00 52.55 53.11 1pwq s ASP 706 Cb -0.84 0.78 -0.17 0.00 -1.46 0.00 0.00 42.92 41.22 1pwq s ASP 706 CO 0.45 -0.20 0.86 0.00 0.52 0.00 0.00 175.17 176.80 1pwq n LEU 707 N 4.54 -0.04 -0.23 -1.34 -0.00 -1.26 -4.29 117.00 114.38 1pwq n LEU 707 Ca -0.20 1.14 0.17 0.00 -0.00 0.00 0.00 56.01 57.12 1pwq n LEU 707 Cb 0.53 -1.03 0.48 0.00 -0.00 0.00 0.00 43.42 43.41 1pwq n LEU 707 CO 0.08 -2.18 1.22 1.62 -0.00 0.00 0.00 177.39 178.13 1pwq h VAL 708 N 2.02 0.74 0.00 1.47 3.04 -1.17 -1.11 116.25 121.24 1pwq h VAL 708 Ca -0.39 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 1pwq h VAL 708 Cb 1.41 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 1pwq h VAL 708 CO 0.63 0.08 0.00 1.07 -1.01 0.00 0.00 177.57 178.34 1pwq n THR 709 N -4.51 0.00 -0.40 3.17 5.66 -1.26 -2.47 114.28 114.46 1pwq n THR 709 Ca 0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.18 1pwq n THR 709 Cb 0.61 -0.65 0.26 0.00 -1.55 0.00 0.00 70.33 69.00 1pwq n THR 709 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1pwq n ASN 710 N -0.93 4.21 -4.82 1.09 4.05 -0.42 -4.58 115.26 113.86 1pwq n ASN 710 Ca 0.12 -2.77 -0.35 0.00 0.45 0.00 0.00 54.58 52.03 1pwq n ASN 710 Cb 0.05 -0.66 -0.06 0.00 1.23 0.00 0.00 39.78 40.34 1pwq n ASN 710 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1pwq s SER 711 N -0.57 7.03 0.50 1.20 1.04 -1.03 -4.96 113.70 116.91 1pwq s SER 711 Ca 0.39 1.49 0.25 0.00 0.48 0.00 0.00 55.95 58.56 1pwq s SER 711 Cb 0.31 -2.45 1.32 0.00 0.10 0.00 0.00 66.02 65.29 1pwq s SER 711 CO 0.11 -0.08 2.03 0.07 0.98 0.00 0.00 173.24 176.34 1pwq h LYS 712 N 2.94 0.00 0.03 4.02 5.09 -1.91 -1.85 116.57 124.89 1pwq h LYS 712 Ca -0.48 0.00 -0.22 0.00 0.09 0.00 0.00 60.65 60.04 1pwq h LYS 712 Cb 1.19 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.51 1pwq h LYS 712 CO 0.65 0.15 -0.97 1.57 -2.09 0.00 0.00 179.45 178.76 1pwq h LYS 713 N 0.00 0.23 0.02 0.07 2.10 -1.96 -3.19 116.57 113.84 1pwq h LYS 713 Ca -0.00 -0.29 -0.05 0.00 -2.00 0.00 0.00 60.65 58.31 1pwq h LYS 713 Cb 0.38 0.09 0.01 0.00 -0.90 0.00 0.00 32.23 31.81 1pwq h LYS 713 CO 0.02 1.04 -0.22 0.35 -2.00 0.00 0.00 179.45 178.64 1pwq h PHE 714 N 0.12 0.19 -0.74 0.07 3.57 -1.75 -3.13 116.94 115.26 1pwq h PHE 714 Ca -0.07 -0.11 0.20 0.00 3.53 0.00 0.00 57.97 61.52 1pwq h PHE 714 Cb 1.63 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 40.32 1pwq h PHE 714 CO 0.04 0.98 0.52 0.82 -2.23 0.00 0.00 178.31 178.44 1pwq h ILE 715 N -0.66 0.66 0.00 1.41 2.04 -1.48 2.75 117.51 122.23 1pwq h ILE 715 Ca -0.03 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1pwq h ILE 715 Cb 1.05 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1pwq h ILE 715 CO 0.04 0.02 0.00 -0.67 0.00 0.00 0.00 178.15 177.54 1pwq n ASP 716 N -4.36 0.00 -0.08 1.72 4.64 -1.19 -0.70 116.55 116.59 1pwq n ASP 716 Ca 0.15 -0.07 -0.10 0.00 -1.38 0.00 0.00 54.79 53.39 1pwq n ASP 716 Cb 0.75 -0.27 -0.09 0.00 -1.04 0.00 0.00 41.12 40.48 1pwq n ASP 716 CO 0.00 0.00 0.00 -0.38 -0.82 0.00 0.00 177.20 176.00 1pwq n ILE 717 N -1.27 0.93 0.13 5.18 5.41 0.87 -4.03 119.36 126.58 1pwq n ILE 717 Ca 0.11 -0.44 -0.00 0.00 1.00 0.00 0.00 62.75 63.42 1pwq n ILE 717 Cb 0.17 -0.92 0.28 0.00 -0.71 0.00 0.00 39.64 38.46 1pwq n ILE 717 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1pwq h PHE 718 N 0.00 0.17 0.47 1.39 -0.00 0.26 -0.49 116.94 118.75 1pwq h PHE 718 Ca -0.37 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.97 57.54 1pwq h PHE 718 Cb 1.66 -0.04 0.00 0.00 -0.00 0.00 0.00 35.95 37.58 1pwq h PHE 718 CO 0.01 0.51 -0.23 0.87 -0.00 0.00 0.00 178.31 179.47 1pwq h LYS 719 N 0.13 -0.61 0.00 1.11 6.56 -1.11 -2.70 116.57 119.94 1pwq h LYS 719 Ca 0.01 0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.65 1pwq h LYS 719 Cb 0.73 0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.53 1pwq h LYS 719 CO 0.05 -0.31 0.00 -1.91 -2.06 0.00 0.00 179.45 175.22 1pwq n GLU 720 N -5.23 0.00 0.05 3.15 2.13 -1.19 -4.26 120.64 115.29 1pwq n GLU 720 Ca -0.10 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.78 1pwq n GLU 720 Cb 0.30 0.00 0.29 0.00 0.27 0.00 0.00 31.44 32.30 1pwq n GLU 720 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1pwq n GLU 721 N 0.00 0.06 -0.02 5.31 0.28 -1.16 -4.05 120.64 121.05 1pwq n GLU 721 Ca 0.00 0.44 0.00 0.00 -0.16 0.00 0.00 57.16 57.44 1pwq n GLU 721 Cb 0.00 -1.65 0.00 0.00 1.43 0.00 0.00 31.44 31.22 1pwq n GLU 721 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1pwq n GLY 722 N -0.74 0.45 0.96 -1.84 0.00 -0.20 -1.90 105.19 101.92 1pwq n GLY 722 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 1pwq n GLY 722 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pwq n SER 723 N 1.29 -0.91 -2.02 1.61 2.88 -1.26 -4.73 113.62 110.49 1pwq n SER 723 Ca 0.00 -1.91 -0.05 0.00 -1.33 0.00 0.00 58.87 55.58 1pwq n SER 723 Cb 0.07 0.27 0.06 0.00 -0.75 0.00 0.00 64.21 63.86 1pwq n SER 723 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1pwq n ASN 724 N 0.00 2.39 0.00 -3.46 4.13 -0.80 -4.96 115.26 112.56 1pwq n ASN 724 Ca -0.25 -2.76 0.00 0.00 1.68 0.00 0.00 54.58 53.24 1pwq n ASN 724 Cb 0.68 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 38.51 1pwq n ASN 724 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1pwq n LEU 725 N -0.48 0.00 -4.56 3.41 4.77 -1.26 -4.75 117.00 114.12 1pwq n LEU 725 Ca 0.19 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.87 1pwq n LEU 725 Cb 0.90 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.89 1pwq n LEU 725 CO 0.12 0.00 -0.43 0.42 -1.33 0.00 0.00 177.39 176.17 1pwq s THR 726 N 0.00 3.28 0.35 -5.08 -4.23 -1.26 -5.00 115.64 103.70 1pwq s THR 726 Ca 0.00 -1.24 0.10 0.00 -1.18 0.00 0.00 61.69 59.37 1pwq s THR 726 Cb 0.00 -2.51 0.33 0.00 1.34 0.00 0.00 72.50 71.66 1pwq s THR 726 CO 0.00 0.16 1.83 0.77 -0.54 0.00 0.00 174.62 176.83 1pwq h SER 727 N 3.79 0.65 0.06 3.99 4.64 -2.00 -0.83 113.55 123.85 1pwq h SER 727 Ca -0.49 0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1pwq h SER 727 Cb 1.17 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1pwq h SER 727 CO 0.51 0.27 -0.03 0.22 -0.87 0.00 0.00 176.83 176.93 1pwq h TYR 728 N 0.65 -0.07 -1.73 4.77 3.20 -2.01 -3.22 116.97 118.57 1pwq h TYR 728 Ca 0.51 -0.00 0.51 0.00 3.14 0.00 0.00 58.73 62.89 1pwq h TYR 728 Cb 0.92 0.02 -0.09 0.00 1.54 0.00 0.00 36.73 39.13 1pwq h TYR 728 CO -0.00 0.48 1.22 0.78 -1.64 0.00 0.00 178.16 178.99 1pwq h GLY 729 N -0.69 0.32 1.56 1.82 0.00 -1.51 1.39 103.07 105.95 1pwq h GLY 729 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1pwq h GLY 729 CO 0.01 -0.10 0.00 -2.13 0.00 0.00 0.00 176.54 174.32 1pwq n ARG 730 N -4.15 0.00 0.00 4.80 0.63 -0.88 -3.75 116.66 113.30 1pwq n ARG 730 Ca 0.41 0.28 0.00 0.00 -0.92 0.00 0.00 57.85 57.61 1pwq n ARG 730 Cb 1.79 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 33.20 1pwq n ARG 730 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1pwq n THR 731 N -1.28 0.00 -3.86 5.15 -1.04 0.48 -5.01 114.28 108.72 1pwq n THR 731 Ca 0.00 0.62 -0.10 0.00 -2.04 0.00 0.00 64.05 62.54 1pwq n THR 731 Cb 0.00 -1.26 -0.08 0.00 -1.82 0.00 0.00 70.33 67.17 1pwq n THR 731 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1pwq s ASN 732 N -1.63 0.07 0.17 8.00 2.20 -1.25 -5.05 114.94 117.45 1pwq s ASN 732 Ca 0.00 -0.45 -0.25 0.00 -0.94 0.00 0.00 52.86 51.22 1pwq s ASN 732 Cb 0.00 0.29 0.05 0.00 -2.00 0.00 0.00 41.25 39.59 1pwq s ASN 732 CO 0.00 -0.59 1.58 1.05 -2.94 0.00 0.00 177.10 176.20 1pwq h GLU 733 N 3.33 -0.23 -0.91 3.55 9.09 -1.93 0.15 114.58 127.62 1pwq h GLU 733 Ca -0.33 0.02 0.24 0.00 0.05 0.00 0.00 59.36 59.34 1pwq h GLU 733 Cb 1.19 0.05 -0.16 0.00 -1.65 0.00 0.00 28.75 28.18 1pwq h GLU 733 CO 0.50 -0.15 0.04 0.00 0.05 0.00 0.00 179.01 179.44 1pwq h ALA 734 N 0.66 1.05 -0.01 1.06 0.00 -1.97 0.16 119.26 120.22 1pwq h ALA 734 Ca 0.18 0.30 -0.07 0.00 0.00 0.00 0.00 54.91 55.32 1pwq h ALA 734 Cb 0.56 0.52 0.01 0.00 0.00 0.00 0.00 17.79 18.88 1pwq h ALA 734 CO -0.65 -0.51 -0.27 0.93 0.00 0.00 0.00 179.25 178.75 1pwq h GLU 735 N 0.06 0.20 -0.50 0.00 4.39 -1.47 -3.13 114.58 114.13 1pwq h GLU 735 Ca 0.54 -0.20 0.09 0.00 0.34 0.00 0.00 59.36 60.12 1pwq h GLU 735 Cb 1.05 0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 29.66 1pwq h GLU 735 CO -0.82 0.92 -0.39 0.35 -1.16 0.00 0.00 179.01 177.92 1pwq h PHE 736 N -0.45 -1.10 -0.75 4.33 3.57 0.11 0.42 116.94 123.07 1pwq h PHE 736 Ca -0.03 0.07 0.17 0.00 3.53 0.00 0.00 57.97 61.71 1pwq h PHE 736 Cb 1.01 0.56 -0.12 0.00 2.79 0.00 0.00 35.95 40.19 1pwq h PHE 736 CO 0.17 -0.41 0.14 0.35 -2.23 0.00 0.00 178.31 176.33 1pwq h PHE 737 N -0.24 0.20 -0.33 0.41 -0.00 -0.85 0.84 116.94 116.97 1pwq h PHE 737 Ca 0.18 0.05 -0.08 0.00 -0.00 0.00 0.00 57.97 58.12 1pwq h PHE 737 Cb 0.56 0.03 -0.02 0.00 -0.00 0.00 0.00 35.95 36.52 1pwq h PHE 737 CO -0.63 -0.14 -0.14 0.00 -0.00 0.00 0.00 178.31 177.39 1pwq h ALA 738 N 1.65 1.14 0.12 2.41 0.00 -0.36 0.25 119.26 124.48 1pwq h ALA 738 Ca 0.43 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1pwq h ALA 738 Cb 0.76 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1pwq h ALA 738 CO -0.56 0.54 -0.06 0.93 0.00 0.00 0.00 179.25 180.10 1pwq h GLU 739 N 0.53 -0.16 -0.13 0.00 4.39 0.31 -2.23 114.58 117.28 1pwq h GLU 739 Ca 0.09 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.84 1pwq h GLU 739 Cb 0.55 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.17 1pwq h GLU 739 CO 0.04 0.31 -0.48 0.00 -1.16 0.00 0.00 179.01 177.71 1pwq h ALA 740 N -0.05 -0.74 -2.00 3.43 0.00 0.62 -2.66 119.26 117.87 1pwq h ALA 740 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pwq h ALA 740 Cb 0.54 0.90 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1pwq h ALA 740 CO 0.03 -1.01 0.00 0.34 0.00 0.00 0.00 179.25 178.61 1pwq n PHE 741 N -5.44 0.00 -0.17 0.00 7.35 0.87 -1.13 117.46 118.94 1pwq n PHE 741 Ca -0.05 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.76 1pwq n PHE 741 Cb 0.37 -0.17 0.22 0.00 0.35 0.00 0.00 39.48 40.26 1pwq n PHE 741 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1pwq n ARG 742 N -1.61 -0.04 -0.05 -4.13 0.63 -0.84 0.21 116.66 110.83 1pwq n ARG 742 Ca 0.00 0.73 -0.13 0.00 -0.92 0.00 0.00 57.85 57.53 1pwq n ARG 742 Cb 0.00 -1.23 -0.07 0.00 0.45 0.00 0.00 32.46 31.61 1pwq n ARG 742 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1pwq h LEU 743 N 0.00 0.38 -0.52 6.15 4.07 -0.78 -2.02 115.31 122.58 1pwq h LEU 743 Ca 0.37 -0.49 0.00 0.00 0.08 0.00 0.00 57.88 57.83 1pwq h LEU 743 Cb 0.87 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.51 1pwq h LEU 743 CO -0.44 0.79 0.10 0.23 -1.08 0.00 0.00 178.44 178.05 1pwq n MET 744 N -4.55 0.05 -1.07 1.13 2.81 0.56 -1.48 117.12 114.56 1pwq n MET 744 Ca -0.06 0.50 0.04 0.00 -1.81 0.00 0.00 57.70 56.37 1pwq n MET 744 Cb 0.37 -1.77 0.07 0.00 -0.71 0.00 0.00 33.22 31.18 1pwq n MET 744 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1pwq n HIS 745 N -1.74 0.00 -1.65 2.03 8.25 -0.96 -4.95 115.22 116.20 1pwq n HIS 745 Ca -0.01 -0.73 -0.25 0.00 -0.26 0.00 0.00 57.72 56.48 1pwq n HIS 745 Cb 0.12 -0.16 0.18 0.00 1.12 0.00 0.00 29.99 31.24 1pwq n HIS 745 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1pwq n SER 746 N -0.08 -0.22 0.02 0.41 3.41 -0.55 -4.87 113.62 111.74 1pwq n SER 746 Ca 0.09 -1.35 -0.17 0.00 -0.26 0.00 0.00 58.87 57.18 1pwq n SER 746 Cb 0.95 -0.86 -0.14 0.00 -0.26 0.00 0.00 64.21 63.90 1pwq n SER 746 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1pwq h THR 747 N -1.79 0.90 -3.38 6.66 2.02 -1.89 -3.44 112.91 111.98 1pwq h THR 747 Ca -0.36 -2.61 -0.60 0.00 0.77 0.00 0.00 66.41 63.61 1pwq h THR 747 Cb 1.01 2.59 -0.11 0.00 -1.74 0.00 0.00 68.15 69.91 1pwq h THR 747 CO 0.25 0.77 0.63 -0.62 0.37 0.00 0.00 175.52 176.92 1pwq s ASP 748 N -6.80 6.42 0.27 4.18 3.68 -1.26 -4.90 116.67 118.26 1pwq s ASP 748 Ca -0.13 -0.10 -0.01 0.00 2.13 0.00 0.00 52.55 54.44 1pwq s ASP 748 Cb 0.07 -2.46 0.57 0.00 -1.45 0.00 0.00 42.92 39.66 1pwq s ASP 748 CO 0.82 -1.20 1.72 0.45 0.13 0.00 0.00 175.17 177.09 1pwq h HIS 749 N 9.25 0.60 -0.93 -5.34 3.86 -1.96 0.28 115.15 120.92 1pwq h HIS 749 Ca -0.25 0.04 0.33 0.00 -1.16 0.00 0.00 60.37 59.33 1pwq h HIS 749 Cb 1.07 -0.14 -0.17 0.00 1.06 0.00 0.00 27.41 29.23 1pwq h HIS 749 CO 0.91 0.04 0.29 0.00 0.86 0.00 0.00 177.93 180.03 1pwq n ALA 750 N -2.50 0.75 0.09 2.45 0.00 -1.26 0.27 120.51 120.31 1pwq n ALA 750 Ca 0.18 0.97 -0.04 0.00 0.00 0.00 0.00 53.44 54.54 1pwq n ALA 750 Cb 0.51 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 1pwq n ALA 750 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1pwq h GLU 751 N 0.00 0.00 -0.67 0.00 5.08 -0.80 -3.26 114.58 114.94 1pwq h GLU 751 Ca 0.69 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.97 1pwq h GLU 751 Cb 1.68 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.91 1pwq h GLU 751 CO -0.78 0.84 0.09 0.00 -1.00 0.00 0.00 179.01 178.15 1pwq h ARG 752 N 0.00 1.11 0.66 2.33 3.08 0.42 -3.33 114.38 118.66 1pwq h ARG 752 Ca -0.01 -0.31 -0.03 0.00 0.07 0.00 0.00 59.98 59.70 1pwq h ARG 752 Cb 1.54 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 31.48 1pwq h ARG 752 CO 0.11 1.03 -0.32 -0.07 -1.07 0.00 0.00 179.97 179.65 1pwq h LEU 753 N 1.04 -0.75 -0.95 3.04 -0.00 -1.24 -3.24 115.31 113.21 1pwq h LEU 753 Ca 0.20 0.03 0.35 0.00 -0.00 0.00 0.00 57.88 58.46 1pwq h LEU 753 Cb 0.47 0.20 -0.17 0.00 -0.00 0.00 0.00 40.66 41.15 1pwq h LEU 753 CO 0.02 -0.52 0.35 2.29 -0.00 0.00 0.00 178.44 180.58 1pwq n LYS 754 N -4.49 -0.06 -0.23 1.13 2.85 -1.24 0.21 118.16 116.32 1pwq n LYS 754 Ca -0.11 1.34 -0.01 0.00 -1.05 0.00 0.00 58.31 58.49 1pwq n LYS 754 Cb 0.35 -2.32 0.11 0.00 -0.65 0.00 0.00 35.03 32.52 1pwq n LYS 754 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1pwq h VAL 755 N 0.00 0.91 0.00 0.58 2.07 -1.66 0.74 116.25 118.89 1pwq h VAL 755 Ca 0.73 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 68.02 1pwq h VAL 755 Cb 1.83 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1pwq h VAL 755 CO -0.78 0.11 -0.11 -0.61 0.02 0.00 0.00 177.57 176.20 1pwq h GLN 756 N 0.61 0.00 0.06 1.57 4.15 0.23 0.64 115.11 122.36 1pwq h GLN 756 Ca 0.31 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.41 1pwq h GLN 756 Cb 0.26 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 1pwq h GLN 756 CO -0.22 0.11 -1.78 -0.22 -1.93 0.00 0.00 178.83 174.79 1pwq h LYS 757 N 0.00 0.12 0.00 1.69 3.64 0.75 -3.36 116.57 119.41 1pwq h LYS 757 Ca -0.00 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1pwq h LYS 757 Cb 0.93 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1pwq h LYS 757 CO 0.01 0.82 -0.56 0.09 -2.27 0.00 0.00 179.45 177.54 1pwq n ASN 758 N -3.24 0.92 -3.23 4.20 4.13 0.24 -4.74 115.26 113.53 1pwq n ASN 758 Ca -0.22 -0.55 -0.24 0.00 1.68 0.00 0.00 54.58 55.26 1pwq n ASN 758 Cb 1.05 1.07 -0.07 0.00 -1.54 0.00 0.00 39.78 40.29 1pwq n ASN 758 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pwq n ALA 759 N -1.30 2.95 -0.15 5.41 0.00 0.22 -4.84 120.51 122.81 1pwq n ALA 759 Ca 0.01 -3.84 0.00 0.00 0.00 0.00 0.00 53.44 49.60 1pwq n ALA 759 Cb 0.14 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1pwq n ALA 759 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1pwq n PRO 760 N 1.00 0.00 -0.42 0.00 -0.02 -1.23 -2.01 135.00 132.31 1pwq n PRO 760 Ca 0.25 0.43 0.35 0.00 -2.02 0.00 0.00 63.50 62.51 1pwq n PRO 760 Cb 0.51 -1.32 0.66 0.00 -0.02 0.00 0.00 33.50 33.32 1pwq n PRO 760 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1pwq h LYS 761 N 0.00 0.13 -0.18 -0.52 3.64 -1.92 0.85 116.57 118.56 1pwq h LYS 761 Ca 0.00 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1pwq h LYS 761 Cb 0.00 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1pwq h LYS 761 CO 0.00 0.08 -0.06 1.15 -2.27 0.00 0.00 179.45 178.36 1pwq h THR 762 N 0.13 1.29 -0.07 1.00 2.02 -1.92 0.30 112.91 115.67 1pwq h THR 762 Ca 0.73 -1.06 0.02 0.00 0.77 0.00 0.00 66.41 66.87 1pwq h THR 762 Cb 2.41 1.62 -0.00 0.00 -1.74 0.00 0.00 68.15 70.43 1pwq h THR 762 CO -0.24 0.32 0.14 0.15 0.37 0.00 0.00 175.52 176.25 1pwq h PHE 763 N 0.06 0.00 0.10 3.16 3.57 0.13 0.34 116.94 124.30 1pwq h PHE 763 Ca 0.04 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.33 1pwq h PHE 763 Cb 0.51 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1pwq h PHE 763 CO 0.06 0.00 -1.08 0.37 -2.23 0.00 0.00 178.31 175.43 1pwq h GLN 764 N 0.00 0.20 0.82 1.11 -0.00 -0.34 -2.97 115.11 113.94 1pwq h GLN 764 Ca 0.03 -0.35 -0.04 0.00 -0.00 0.00 0.00 58.65 58.30 1pwq h GLN 764 Cb 0.31 0.13 0.01 0.00 0.00 0.00 0.00 27.48 27.93 1pwq h GLN 764 CO -0.00 1.17 -0.40 0.35 0.00 0.00 0.00 178.83 179.95 1pwq h PHE 765 N -0.48 -1.02 -0.17 3.99 3.57 0.20 -0.29 116.94 122.75 1pwq h PHE 765 Ca -0.23 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.28 1pwq h PHE 765 Cb 1.59 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 40.64 1pwq h PHE 765 CO 0.16 -0.63 -0.05 0.82 -2.23 0.00 0.00 178.31 176.38 1pwq h ILE 766 N -1.22 0.80 0.00 1.41 5.03 -0.63 0.22 117.51 123.12 1pwq h ILE 766 Ca -0.11 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.63 1pwq h ILE 766 Cb 0.86 0.80 0.00 0.00 -3.03 0.00 0.00 36.82 35.45 1pwq h ILE 766 CO 0.19 0.00 0.00 -3.20 -0.68 0.00 0.00 178.15 174.46 1pwq n ASN 767 N -5.20 0.00 -0.07 1.72 2.85 -1.12 -2.39 115.26 111.05 1pwq n ASN 767 Ca -0.03 -0.33 -0.21 0.00 -0.11 0.00 0.00 54.58 53.91 1pwq n ASN 767 Cb 0.12 -0.10 -0.12 0.00 1.24 0.00 0.00 39.78 40.92 1pwq n ASN 767 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 1pwq h ASP 768 N 0.00 0.11 -0.37 1.20 3.58 0.13 -3.26 116.42 117.81 1pwq h ASP 768 Ca 0.00 -0.67 -0.05 0.00 0.42 0.00 0.00 57.03 56.73 1pwq h ASP 768 Cb 0.06 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 1pwq h ASP 768 CO 0.00 1.51 0.09 1.56 -2.88 0.00 0.00 179.24 179.51 1pwq h GLN 769 N -0.76 0.69 0.04 0.28 7.50 -1.04 -2.70 115.11 119.12 1pwq h GLN 769 Ca -0.31 -0.14 0.01 0.00 0.50 0.00 0.00 58.65 58.71 1pwq h GLN 769 Cb 1.43 -0.11 -0.03 0.00 0.05 0.00 0.00 27.48 28.83 1pwq h GLN 769 CO -0.11 0.64 -0.28 0.82 -1.50 0.00 0.00 178.83 178.41 1pwq h ILE 770 N 0.66 0.00 0.00 2.54 1.08 -1.61 0.46 117.51 120.65 1pwq h ILE 770 Ca 0.15 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.62 1pwq h ILE 770 Cb 0.29 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.04 1pwq h ILE 770 CO 0.00 0.00 0.04 0.29 -0.69 0.00 0.00 178.15 177.79 1pwq n LYS 771 N -4.02 0.01 -0.08 2.37 5.02 -1.16 -0.96 118.16 119.33 1pwq n LYS 771 Ca -0.04 0.47 -0.12 0.00 -2.02 0.00 0.00 58.31 56.60 1pwq n LYS 771 Cb 0.21 -1.56 -0.07 0.00 -0.02 0.00 0.00 35.03 33.60 1pwq n LYS 771 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1pwq h PHE 772 N 0.00 0.00 -0.80 2.13 -0.00 -0.40 -3.36 116.94 114.52 1pwq h PHE 772 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1pwq h PHE 772 Cb 0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 35.99 1pwq h PHE 772 CO 0.00 0.73 0.51 0.82 -0.00 0.00 0.00 178.31 180.37 1pwq h ILE 773 N -1.00 1.21 0.00 1.41 2.04 0.10 0.61 117.51 121.89 1pwq h ILE 773 Ca -0.14 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1pwq h ILE 773 Cb 0.83 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1pwq h ILE 773 CO -0.09 0.21 0.00 -0.38 0.00 0.00 0.00 178.15 177.89 1pwq n ILE 774 N -4.40 1.14 -0.09 -0.67 5.41 -0.13 -2.64 119.36 117.98 1pwq n ILE 774 Ca 0.09 0.52 -0.12 0.00 1.00 0.00 0.00 62.75 64.24 1pwq n ILE 774 Cb 0.04 -1.48 -0.09 0.00 -0.71 0.00 0.00 39.64 37.40 1pwq n ILE 774 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1pwq n ASN 775 N -2.06 2.46 0.00 4.38 4.13 -0.33 -5.00 115.26 118.85 1pwq n ASN 775 Ca 0.00 -0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.18 1pwq n ASN 775 Cb 0.09 -0.12 0.00 0.00 -1.54 0.00 0.00 39.78 38.21 1pwq n ASN 775 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00