#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3haz s PRO 2 N 0.00 0.69 0.30 2.12 0.02 -1.26 -4.96 135.00 131.92 3haz s PRO 2 Ca 0.00 0.97 -0.29 0.00 0.02 0.00 0.00 61.00 61.70 3haz s PRO 2 Cb 0.00 -1.73 -0.10 0.00 0.02 0.00 0.00 34.50 32.69 3haz s PRO 2 CO 0.00 -2.67 1.38 -0.80 -0.33 0.00 0.00 177.00 174.58 3haz s ASN 3 N -3.06 6.68 0.11 2.53 0.01 -1.26 -4.41 114.94 115.54 3haz s ASN 3 Ca 0.65 2.72 -0.32 0.00 -0.71 0.00 0.00 52.86 55.20 3haz s ASN 3 Cb -0.21 -2.64 -0.11 0.00 0.41 0.00 0.00 41.25 38.70 3haz s ASN 3 CO 0.59 -0.64 1.80 -0.38 -1.51 0.00 0.00 177.10 176.96 3haz n ILE 4 N 1.38 0.32 -1.74 0.60 5.41 -1.26 -4.72 119.36 119.35 3haz n ILE 4 Ca 0.03 -0.06 -0.37 0.00 1.00 0.00 0.00 62.75 63.35 3haz n ILE 4 Cb 0.41 -2.01 0.07 0.00 -0.71 0.00 0.00 39.64 37.39 3haz n ILE 4 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3haz s PRO 5 N 2.56 2.61 0.79 0.38 0.04 -1.26 -4.99 135.00 135.12 3haz s PRO 5 Ca 0.82 2.10 -0.12 0.00 0.04 0.00 0.00 61.00 63.84 3haz s PRO 5 Cb -0.53 -1.89 0.07 0.00 0.04 0.00 0.00 34.50 32.19 3haz s PRO 5 CO 0.39 -1.57 1.15 -2.14 0.04 0.00 0.00 177.00 174.87 3haz s PRO 6 N -3.32 1.89 0.15 0.56 0.02 -1.26 -4.91 135.00 128.13 3haz s PRO 6 Ca 0.82 1.50 -0.34 0.00 0.02 0.00 0.00 61.00 62.99 3haz s PRO 6 Cb -0.38 -1.83 -0.15 0.00 0.02 0.00 0.00 34.50 32.15 3haz s PRO 6 CO 0.41 -1.97 1.33 -2.30 -0.33 0.00 0.00 177.00 174.14 3haz n PRO 7 N -3.37 1.45 -1.74 5.54 -0.02 -1.26 -4.83 135.00 130.77 3haz n PRO 7 Ca 0.11 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 3haz n PRO 7 Cb 0.52 -2.14 -0.02 0.00 -0.02 0.00 0.00 33.50 31.84 3haz n PRO 7 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3haz s PHE 8 N 0.24 2.83 -0.36 6.00 5.36 -1.26 -4.93 117.98 125.86 3haz s PHE 8 Ca 0.77 0.51 0.13 0.00 -0.96 0.00 0.00 56.93 57.38 3haz s PHE 8 Cb -0.83 -4.12 0.42 0.00 -0.34 0.00 0.00 43.02 38.15 3haz s PHE 8 CO 0.48 -4.06 1.31 -2.37 -1.46 0.00 0.00 175.22 169.12 3haz n THR 9 N 3.22 0.29 -1.80 0.12 5.66 -1.26 -4.87 114.28 115.64 3haz n THR 9 Ca 0.13 -1.77 -0.35 0.00 -3.05 0.00 0.00 64.05 59.01 3haz n THR 9 Cb 0.36 0.97 0.05 0.00 -1.55 0.00 0.00 70.33 70.16 3haz n THR 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3haz s ALA 10 N -0.77 2.41 0.22 1.79 0.00 -1.26 -4.94 121.76 119.21 3haz s ALA 10 Ca 0.20 0.83 -0.32 0.00 0.00 0.00 0.00 51.96 52.67 3haz s ALA 10 Cb 0.42 -3.41 -0.13 0.00 0.00 0.00 0.00 23.12 19.99 3haz s ALA 10 CO -0.07 -1.36 1.52 -2.30 0.00 0.00 0.00 175.76 173.55 3haz n PRO 11 N -2.10 2.26 -0.06 0.00 -0.02 -1.26 -4.91 135.00 128.90 3haz n PRO 11 Ca 0.13 0.81 -0.12 0.00 -2.02 0.00 0.00 63.50 62.29 3haz n PRO 11 Cb 0.51 -2.54 -0.06 0.00 -0.02 0.00 0.00 33.50 31.38 3haz n PRO 11 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3haz h TYR 12 N 5.10 0.42 -2.00 6.00 3.20 -1.98 -3.39 116.97 124.32 3haz h TYR 12 Ca -0.45 -0.10 -0.52 0.00 3.14 0.00 0.00 58.73 60.80 3haz h TYR 12 Cb 1.25 -0.10 -0.40 0.00 1.54 0.00 0.00 36.73 39.03 3haz h TYR 12 CO 0.59 0.67 -1.15 0.00 -1.64 0.00 0.00 178.16 176.63 3haz n ALA 13 N -2.38 2.24 -0.81 1.82 0.00 -1.26 -4.21 120.51 115.90 3haz n ALA 13 Ca -0.05 -3.41 -0.29 0.00 0.00 0.00 0.00 53.44 49.69 3haz n ALA 13 Cb 0.30 -0.87 0.21 0.00 0.00 0.00 0.00 19.45 19.09 3haz n ALA 13 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3haz s PRO 14 N -1.83 -0.09 0.02 0.00 0.04 -1.26 -4.66 135.00 127.22 3haz s PRO 14 Ca 0.38 0.83 -0.30 0.00 0.04 0.00 0.00 61.00 61.94 3haz s PRO 14 Cb 0.26 -1.65 -0.06 0.00 0.04 0.00 0.00 34.50 33.09 3haz s PRO 14 CO -0.09 -3.16 1.42 0.34 0.04 0.00 0.00 177.00 175.54 3haz s ASP 15 N -2.90 6.83 0.21 6.66 2.15 -1.26 -4.93 116.67 123.43 3haz s ASP 15 Ca 0.67 2.16 -0.09 0.00 0.43 0.00 0.00 52.55 55.72 3haz s ASP 15 Cb -0.22 -2.56 0.22 0.00 -0.30 0.00 0.00 42.92 40.06 3haz s ASP 15 CO 0.61 -0.73 1.83 0.44 -0.17 0.00 0.00 175.17 177.15 3haz h ASP 16 N 7.79 0.63 -0.40 -0.34 5.19 -1.96 -3.00 116.42 124.33 3haz h ASP 16 Ca -0.39 0.02 0.04 0.00 -0.62 0.00 0.00 57.03 56.08 3haz h ASP 16 Cb 1.18 -0.11 -0.04 0.00 0.18 0.00 0.00 39.33 40.54 3haz h ASP 16 CO 0.90 0.42 0.18 0.00 -3.12 0.00 0.00 179.24 177.62 3haz h ALA 17 N 1.33 0.49 -0.33 3.45 0.00 -1.92 0.41 119.26 122.69 3haz h ALA 17 Ca 0.29 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 3haz h ALA 17 Cb 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3haz h ALA 17 CO -0.15 -0.19 0.05 0.93 0.00 0.00 0.00 179.25 179.89 3haz h GLU 18 N 0.37 0.49 -0.16 0.00 5.08 -1.84 0.10 114.58 118.62 3haz h GLU 18 Ca 0.18 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3haz h GLU 18 Cb 0.12 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 3haz h GLU 18 CO -0.15 0.48 -0.06 0.82 -1.00 0.00 0.00 179.01 179.10 3haz h ILE 19 N 0.48 1.31 -0.12 3.13 2.04 -1.25 -2.98 117.51 120.11 3haz h ILE 19 Ca 0.11 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 64.90 3haz h ILE 19 Cb 0.24 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 3haz h ILE 19 CO 0.00 0.32 0.08 0.00 0.00 0.00 0.00 178.15 178.55 3haz h ALA 20 N 0.69 1.98 0.00 1.87 0.00 -0.38 -0.57 119.26 122.85 3haz h ALA 20 Ca 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3haz h ALA 20 Cb 0.52 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3haz h ALA 20 CO 0.02 0.01 -0.08 0.00 0.00 0.00 0.00 179.25 179.20 3haz h ALA 21 N 1.93 1.11 0.03 0.00 0.00 -0.66 -1.56 119.26 120.11 3haz h ALA 21 Ca 0.05 -0.07 -0.30 0.00 0.00 0.00 0.00 54.91 54.58 3haz h ALA 21 Cb 0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3haz h ALA 21 CO -0.01 0.10 -1.68 0.54 0.00 0.00 0.00 179.25 178.20 3haz n ARG 22 N -3.35 0.62 0.06 0.00 1.74 -0.35 -4.53 116.66 110.85 3haz n ARG 22 Ca -0.01 0.44 -0.04 0.00 -0.77 0.00 0.00 57.85 57.47 3haz n ARG 22 Cb 0.25 -1.69 0.18 0.00 -1.02 0.00 0.00 32.46 30.18 3haz n ARG 22 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3haz h LEU 23 N -0.70 0.38 0.09 0.55 3.38 -1.10 -3.15 115.31 114.75 3haz h LEU 23 Ca -0.43 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.37 3haz h LEU 23 Cb 1.55 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.20 3haz h LEU 23 CO -0.17 0.75 -0.04 -0.07 0.09 0.00 0.00 178.44 179.00 3haz h LEU 24 N 0.30 -0.10 -0.55 1.67 3.38 -1.53 -2.12 115.31 116.37 3haz h LEU 24 Ca 0.03 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 3haz h LEU 24 Cb 0.85 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3haz h LEU 24 CO 0.07 0.15 0.07 -0.65 0.09 0.00 0.00 178.44 178.16 3haz h PRO 25 N -0.35 0.92 0.00 1.13 0.11 -1.80 -2.92 132.00 129.09 3haz h PRO 25 Ca -0.01 -0.26 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3haz h PRO 25 Cb 0.30 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.31 3haz h PRO 25 CO 0.02 0.90 0.00 0.00 -0.21 0.00 0.00 178.00 178.71 3haz h ALA 26 N 0.98 1.00 0.00 -0.75 0.00 -1.50 -2.40 119.26 116.59 3haz h ALA 26 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3haz h ALA 26 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3haz h ALA 26 CO 0.01 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 3haz n SER 27 N -2.81 0.46 -4.69 0.00 3.41 -0.80 -4.88 113.62 104.30 3haz n SER 27 Ca -0.01 0.56 -0.43 0.00 -0.26 0.00 0.00 58.87 58.73 3haz n SER 27 Cb 0.18 -0.68 -0.01 0.00 -0.26 0.00 0.00 64.21 63.44 3haz n SER 27 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3haz n HIS 28 N -1.95 2.28 -4.17 7.33 -0.00 -0.91 -5.02 115.22 112.79 3haz n HIS 28 Ca 0.05 0.50 -0.18 0.00 -0.00 0.00 0.00 57.72 58.10 3haz n HIS 28 Cb 0.34 -2.44 -0.12 0.00 -0.00 0.00 0.00 29.99 27.78 3haz n HIS 28 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3haz s LEU 29 N -0.66 2.30 0.77 0.27 1.43 -1.26 -5.15 118.68 116.37 3haz s LEU 29 Ca 0.59 -0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 3haz s LEU 29 Cb -0.59 -0.49 0.06 0.00 0.03 0.00 0.00 46.19 45.20 3haz s LEU 29 CO 0.58 -0.10 1.11 -0.94 0.23 0.00 0.00 176.35 177.23 3haz s SER 30 N -1.85 4.38 0.29 2.29 1.04 -1.26 -4.77 113.70 113.83 3haz s SER 30 Ca -0.01 1.94 0.03 0.00 0.48 0.00 0.00 55.95 58.39 3haz s SER 30 Cb -0.09 -2.54 0.62 0.00 0.10 0.00 0.00 66.02 64.11 3haz s SER 30 CO 0.02 -2.12 1.83 -0.65 0.98 0.00 0.00 173.24 173.30 3haz h PRO 31 N -0.97 0.90 -0.01 4.02 0.11 -2.01 -1.03 132.00 133.00 3haz h PRO 31 Ca -0.44 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 3haz h PRO 31 Cb 1.24 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3haz h PRO 31 CO 0.50 0.59 -0.57 -1.35 -0.21 0.00 0.00 178.00 176.97 3haz h PRO 32 N 0.93 0.04 -0.15 1.05 0.11 -1.99 -0.95 132.00 131.04 3haz h PRO 32 Ca 0.51 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.56 3haz h PRO 32 Cb 0.59 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 3haz h PRO 32 CO -0.28 0.60 -0.00 1.96 -0.21 0.00 0.00 178.00 180.07 3haz h GLN 33 N 0.03 0.27 -0.29 1.05 4.20 -1.65 -2.36 115.11 116.38 3haz h GLN 33 Ca -0.01 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 3haz h GLN 33 Cb 1.02 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 3haz h GLN 33 CO 0.08 0.51 -0.02 0.93 -0.67 0.00 0.00 178.83 179.66 3haz h GLU 34 N 0.01 0.44 -0.37 1.46 4.39 -1.16 -2.15 114.58 117.19 3haz h GLU 34 Ca 0.04 -0.09 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 3haz h GLU 34 Cb 0.39 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 3haz h GLU 34 CO 0.01 0.48 -0.03 0.00 -1.16 0.00 0.00 179.01 178.30 3haz h ALA 35 N 1.57 0.51 -0.56 3.43 0.00 -1.05 0.35 119.26 123.50 3haz h ALA 35 Ca 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3haz h ALA 35 Cb 0.31 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3haz h ALA 35 CO 0.01 0.31 0.23 0.00 0.00 0.00 0.00 179.25 179.81 3haz h ARG 36 N 0.49 0.83 -0.42 0.00 3.08 -1.24 -2.10 114.38 115.03 3haz h ARG 36 Ca 0.10 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3haz h ARG 36 Cb 0.52 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3haz h ARG 36 CO 0.03 0.71 0.20 0.82 -1.07 0.00 0.00 179.97 180.65 3haz h ILE 37 N 0.76 1.18 -0.65 2.04 2.04 -1.20 -1.16 117.51 120.52 3haz h ILE 37 Ca 0.19 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.55 3haz h ILE 37 Cb 0.18 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3haz h ILE 37 CO -0.02 0.19 0.43 -0.74 0.00 0.00 0.00 178.15 178.01 3haz h HIS 38 N 0.53 0.81 0.28 1.37 2.76 -0.81 -0.48 115.15 119.62 3haz h HIS 38 Ca 0.14 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 3haz h HIS 38 Cb 0.12 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 28.81 3haz h HIS 38 CO -0.01 0.51 -0.13 -0.09 -1.30 0.00 0.00 177.93 176.91 3haz h ARG 39 N 0.88 -0.36 -0.53 5.26 2.43 -1.10 -0.76 114.38 120.20 3haz h ARG 39 Ca 0.24 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.54 3haz h ARG 39 Cb -0.10 0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 29.44 3haz h ARG 39 CO -0.05 -0.04 -0.01 1.15 -1.51 0.00 0.00 179.97 179.51 3haz h THR 40 N -0.72 0.57 -0.53 0.20 2.02 -1.16 -1.35 112.91 111.94 3haz h THR 40 Ca -0.04 -0.04 -0.09 0.00 0.77 0.00 0.00 66.41 67.02 3haz h THR 40 Cb 0.49 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 3haz h THR 40 CO 0.06 0.02 -0.01 0.00 0.37 0.00 0.00 175.52 175.96 3haz h ALA 41 N 1.48 0.71 -0.71 6.16 0.00 -1.06 -1.19 119.26 124.66 3haz h ALA 41 Ca 0.27 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3haz h ALA 41 Cb 0.41 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3haz h ALA 41 CO -0.45 0.54 0.46 1.15 0.00 0.00 0.00 179.25 180.95 3haz h THR 42 N 0.81 1.17 -0.59 0.00 2.02 -0.85 -0.99 112.91 114.47 3haz h THR 42 Ca 0.15 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 3haz h THR 42 Cb 0.55 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 3haz h THR 42 CO 0.03 0.17 0.15 0.03 0.37 0.00 0.00 175.52 176.27 3haz h ARG 43 N 0.94 0.92 -0.30 6.66 3.08 -0.96 0.22 114.38 124.95 3haz h ARG 43 Ca 0.26 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 3haz h ARG 43 Cb -0.09 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 3haz h ARG 43 CO -0.07 0.82 0.03 -0.07 -1.07 0.00 0.00 179.97 179.61 3haz h LEU 44 N 0.88 0.49 -0.70 3.04 3.38 -0.82 -2.33 115.31 119.26 3haz h LEU 44 Ca 0.19 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 3haz h LEU 44 Cb 0.31 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3haz h LEU 44 CO -0.00 0.65 -0.35 0.40 0.09 0.00 0.00 178.44 179.23 3haz h ILE 45 N 0.31 1.29 -0.44 1.22 2.04 -0.95 -0.79 117.51 120.19 3haz h ILE 45 Ca 0.09 -1.48 0.03 0.00 1.00 0.00 0.00 64.86 64.49 3haz h ILE 45 Cb 0.38 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 3haz h ILE 45 CO 0.01 0.47 0.23 -0.33 0.00 0.00 0.00 178.15 178.54 3haz h GLU 46 N 0.52 0.46 -0.64 2.37 5.08 -0.92 0.83 114.58 122.27 3haz h GLU 46 Ca 0.05 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3haz h GLU 46 Cb 0.84 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 3haz h GLU 46 CO 0.07 0.30 0.35 0.00 -1.00 0.00 0.00 179.01 178.74 3haz h ALA 47 N 1.22 0.82 -0.92 3.43 0.00 -1.13 -1.47 119.26 121.22 3haz h ALA 47 Ca 0.19 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3haz h ALA 47 Cb 0.07 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 3haz h ALA 47 CO -0.12 0.33 0.61 0.82 0.00 0.00 0.00 179.25 180.89 3haz h ILE 48 N 0.87 1.24 -0.38 0.00 2.04 -0.53 -1.87 117.51 118.87 3haz h ILE 48 Ca 0.23 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3haz h ILE 48 Cb 0.04 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.00 3haz h ILE 48 CO -0.04 0.23 0.00 0.54 0.00 0.00 0.00 178.15 178.88 3haz n ARG 49 N -4.39 1.90 0.17 2.37 1.74 0.23 -4.19 116.66 114.48 3haz n ARG 49 Ca 0.11 -1.38 -0.07 0.00 -0.77 0.00 0.00 57.85 55.74 3haz n ARG 49 Cb 0.02 -1.30 -0.03 0.00 -1.02 0.00 0.00 32.46 30.12 3haz n ARG 49 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3haz h LYS 50 N 2.24 -0.42 -3.23 5.56 3.64 -0.40 -3.50 116.57 120.46 3haz h LYS 50 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3haz h LYS 50 Cb 0.52 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 3haz h LYS 50 CO 0.00 -0.28 -0.37 2.89 -2.27 0.00 0.00 179.45 179.42 3haz n ARG 51 N -3.19 -1.32 0.00 1.90 1.85 -1.26 -5.12 116.66 109.51 3haz n ARG 51 Ca -0.05 1.34 0.00 0.00 -1.00 0.00 0.00 57.85 58.14 3haz n ARG 51 Cb 0.17 -1.94 0.00 0.00 -1.05 0.00 0.00 32.46 29.65 3haz n ARG 51 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 3haz n ARG 54 N 0.48 0.00 0.00 2.89 1.85 -1.26 -5.18 116.66 115.44 3haz n ARG 54 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 3haz n ARG 54 Cb 0.11 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.52 3haz n ARG 54 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3haz n LEU 55 N -1.71 0.00 0.00 2.89 7.99 -1.26 -5.15 117.00 119.76 3haz n LEU 55 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 3haz n LEU 55 Cb 0.00 -0.35 0.00 0.00 -0.11 0.00 0.00 43.42 42.96 3haz n LEU 55 CO 0.00 -0.36 0.00 0.61 -1.51 0.00 0.00 177.39 176.13 3haz n GLY 56 N 1.82 -1.47 1.43 -0.72 0.00 -1.26 -5.10 105.19 99.89 3haz n GLY 56 Ca 0.00 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.43 3haz n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3haz n GLY 57 N -0.86 3.85 0.25 -0.02 0.00 -1.26 -5.01 105.19 102.14 3haz n GLY 57 Ca 0.00 -2.14 -0.05 0.00 0.00 0.00 0.00 46.02 43.83 3haz n GLY 57 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3haz h VAL 58 N 1.19 1.12 -0.80 1.61 2.07 -1.99 -1.73 116.25 117.72 3haz h VAL 58 Ca -0.15 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.13 3haz h VAL 58 Cb 0.51 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 3haz h VAL 58 CO 0.25 0.15 0.52 -0.33 0.02 0.00 0.00 177.57 178.18 3haz h GLU 59 N 0.82 0.91 -0.70 1.57 3.07 -1.95 0.92 114.58 119.22 3haz h GLU 59 Ca 0.24 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.00 3haz h GLU 59 Cb -0.04 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 27.64 3haz h GLU 59 CO -0.08 0.60 0.25 -0.44 -1.40 0.00 0.00 179.01 177.94 3haz h ASP 60 N 0.94 0.99 -0.25 1.42 3.32 -1.71 -0.71 116.42 120.42 3haz h ASP 60 Ca 0.33 -0.19 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 3haz h ASP 60 Cb 0.11 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3haz h ASP 60 CO -0.10 0.92 -0.09 -0.03 -1.72 0.00 0.00 179.24 178.21 3haz h MET 61 N 1.01 0.50 -0.91 3.56 4.05 -0.65 0.14 114.93 122.64 3haz h MET 61 Ca 0.23 -0.21 0.01 0.00 -0.28 0.00 0.00 59.70 59.45 3haz h MET 61 Cb 0.26 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.99 3haz h MET 61 CO -0.01 0.74 0.60 -0.07 0.23 0.00 0.00 176.91 178.40 3haz h LEU 62 N 0.23 1.04 -0.07 3.39 3.38 -0.76 -2.35 115.31 120.17 3haz h LEU 62 Ca 0.06 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3haz h LEU 62 Cb 0.58 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3haz h LEU 62 CO 0.03 0.75 -0.20 -0.09 0.09 0.00 0.00 178.44 179.02 3haz h ARG 63 N 1.23 0.26 -0.67 1.13 2.43 -1.02 0.16 114.38 117.90 3haz h ARG 63 Ca 0.33 -0.18 0.07 0.00 -0.81 0.00 0.00 59.98 59.39 3haz h ARG 63 Cb -0.14 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.38 3haz h ARG 63 CO -0.07 0.80 0.36 0.93 -1.51 0.00 0.00 179.97 180.48 3haz h GLU 64 N -0.24 0.63 -0.63 0.20 5.08 -0.53 -2.10 114.58 117.00 3haz h GLU 64 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3haz h GLU 64 Cb 0.81 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3haz h GLU 64 CO 0.04 0.42 0.00 1.19 -1.00 0.00 0.00 179.01 179.66 3haz n PHE 65 N -4.82 0.83 -3.83 4.33 3.72 -0.90 -4.97 117.46 111.82 3haz n PHE 65 Ca 0.09 -0.47 -0.27 0.00 -0.05 0.00 0.00 57.45 56.75 3haz n PHE 65 Cb 0.20 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 38.75 3haz n PHE 65 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3haz n ALA 66 N 1.41 -2.19 -2.32 4.37 0.00 -0.35 -4.94 120.51 116.49 3haz n ALA 66 Ca 0.21 -0.25 -0.39 0.00 0.00 0.00 0.00 53.44 53.02 3haz n ALA 66 Cb 0.58 -2.40 -0.06 0.00 0.00 0.00 0.00 19.45 17.57 3haz n ALA 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3haz s LEU 67 N -6.77 4.51 0.97 0.00 1.43 0.42 -5.02 118.68 114.22 3haz s LEU 67 Ca 0.16 1.23 -0.12 0.00 -1.03 0.00 0.00 54.13 54.37 3haz s LEU 67 Cb -0.06 -2.88 0.17 0.00 0.03 0.00 0.00 46.19 43.46 3haz s LEU 67 CO 0.87 0.26 1.08 -0.94 0.23 0.00 0.00 176.35 177.85 3haz s SER 68 N -0.98 2.77 0.33 2.29 1.04 -1.26 -4.81 113.70 113.08 3haz s SER 68 Ca 0.29 1.54 0.01 0.00 0.48 0.00 0.00 55.95 58.26 3haz s SER 68 Cb -0.19 -2.20 0.56 0.00 0.10 0.00 0.00 66.02 64.28 3haz s SER 68 CO 0.18 -3.09 1.98 0.71 0.98 0.00 0.00 173.24 174.01 3haz h THR 69 N -1.86 1.18 -0.68 2.02 1.35 -1.96 -0.85 112.91 112.11 3haz h THR 69 Ca -0.52 -0.37 -0.07 0.00 -0.55 0.00 0.00 66.41 64.90 3haz h THR 69 Cb 1.30 0.21 -0.03 0.00 -1.73 0.00 0.00 68.15 67.90 3haz h THR 69 CO 0.52 0.18 0.14 0.50 -0.25 0.00 0.00 175.52 176.62 3haz h LYS 70 N 0.92 1.10 -0.31 4.72 3.64 -1.99 -0.65 116.57 124.02 3haz h LYS 70 Ca 0.25 -0.27 -0.17 0.00 -1.27 0.00 0.00 60.65 59.18 3haz h LYS 70 Cb -0.07 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.61 3haz h LYS 70 CO -0.05 0.99 -0.47 0.93 -2.27 0.00 0.00 179.45 178.58 3haz h GLU 71 N 1.04 0.86 -0.50 1.90 5.08 -1.80 -1.21 114.58 119.96 3haz h GLU 71 Ca 0.21 -0.52 0.02 0.00 -1.00 0.00 0.00 59.36 58.07 3haz h GLU 71 Cb 0.40 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3haz h GLU 71 CO 0.01 1.15 0.31 0.78 -1.00 0.00 0.00 179.01 180.26 3haz h GLY 72 N 0.65 0.70 0.96 -3.84 0.00 -1.04 -1.98 103.07 98.51 3haz h GLY 72 Ca 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3haz h GLY 72 CO 0.11 0.21 0.20 -2.00 0.00 0.00 0.00 176.54 175.06 3haz h LEU 73 N 0.62 0.45 -1.00 3.11 6.46 -0.93 -1.60 115.31 122.42 3haz h LEU 73 Ca 0.19 -0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.82 3haz h LEU 73 Cb -0.02 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 39.77 3haz h LEU 73 CO -0.07 0.41 0.25 0.00 -0.62 0.00 0.00 178.44 178.41 3haz h ALA 74 N 1.06 1.21 -0.05 1.25 0.00 -1.02 -1.23 119.26 120.47 3haz h ALA 74 Ca 0.13 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 3haz h ALA 74 Cb 0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3haz h ALA 74 CO -0.02 0.57 -0.82 -0.07 0.00 0.00 0.00 179.25 178.92 3haz h LEU 75 N 0.94 0.51 -0.88 0.00 3.38 -1.17 -1.55 115.31 116.55 3haz h LEU 75 Ca 0.22 -0.37 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 3haz h LEU 75 Cb 0.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3haz h LEU 75 CO -0.02 1.14 -0.21 0.24 0.09 0.00 0.00 178.44 179.67 3haz h MET 76 N 0.27 0.58 -0.15 1.13 2.86 -1.03 0.23 114.93 118.82 3haz h MET 76 Ca -0.05 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.34 3haz h MET 76 Cb 1.42 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 33.04 3haz h MET 76 CO 0.14 0.76 -0.04 0.28 1.06 0.00 0.00 176.91 179.11 3haz h VAL 77 N 0.52 1.29 -0.89 -2.22 2.07 -1.15 -1.65 116.25 114.23 3haz h VAL 77 Ca 0.08 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 3haz h VAL 77 Cb 0.65 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 3haz h VAL 77 CO 0.05 0.29 0.55 0.25 0.02 0.00 0.00 177.57 178.73 3haz h LEU 78 N -0.02 1.06 -0.39 2.57 5.85 -1.13 -2.41 115.31 120.84 3haz h LEU 78 Ca 0.04 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3haz h LEU 78 Cb 0.47 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3haz h LEU 78 CO 0.02 0.81 0.15 0.00 -0.34 0.00 0.00 178.44 179.07 3haz h ALA 79 N 1.30 0.47 -0.34 1.25 0.00 -0.41 -0.70 119.26 120.83 3haz h ALA 79 Ca 0.32 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 3haz h ALA 79 Cb -0.07 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3haz h ALA 79 CO -0.06 -0.24 0.13 1.49 0.00 0.00 0.00 179.25 180.57 3haz h GLU 80 N 0.32 0.52 -0.48 0.00 4.57 -0.98 0.41 114.58 118.95 3haz h GLU 80 Ca 0.18 -0.10 0.08 0.00 -1.18 0.00 0.00 59.36 58.33 3haz h GLU 80 Cb 0.15 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.59 3haz h GLU 80 CO -0.17 0.53 0.10 0.00 -1.18 0.00 0.00 179.01 178.29 3haz h ALA 81 N 0.97 0.53 -0.31 2.92 0.00 -1.25 -2.11 119.26 120.01 3haz h ALA 81 Ca 0.11 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3haz h ALA 81 Cb 0.21 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3haz h ALA 81 CO -0.01 -0.30 -0.06 -0.07 0.00 0.00 0.00 179.25 178.82 3haz h LEU 82 N 0.24 0.47 -1.38 0.00 3.38 -0.67 -2.41 115.31 114.93 3haz h LEU 82 Ca 0.24 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3haz h LEU 82 Cb 0.30 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3haz h LEU 82 CO -0.30 0.58 -0.08 -0.07 0.09 0.00 0.00 178.44 178.65 3haz h LEU 83 N 0.47 0.00 -1.82 1.67 3.38 -0.30 -3.03 115.31 115.67 3haz h LEU 83 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3haz h LEU 83 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3haz h LEU 83 CO 0.02 0.08 0.00 0.54 0.09 0.00 0.00 178.44 179.17 3haz n ARG 84 N -3.22 2.21 -2.47 1.13 5.12 -0.85 -4.87 116.66 113.71 3haz n ARG 84 Ca 0.00 -1.81 -0.42 0.00 -1.93 0.00 0.00 57.85 53.70 3haz n ARG 84 Cb 0.34 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 30.14 3haz n ARG 84 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3haz s VAL 85 N -1.75 4.17 0.25 1.55 1.01 -1.15 -4.94 120.40 119.54 3haz s VAL 85 Ca 0.34 1.56 -0.03 0.00 0.00 0.00 0.00 61.98 63.85 3haz s VAL 85 Cb 0.21 -4.00 0.22 0.00 0.00 0.00 0.00 36.38 32.82 3haz s VAL 85 CO 0.30 0.12 1.74 1.55 0.00 0.00 0.00 175.10 178.81 3haz h PRO 86 N 6.81 0.48 -4.73 2.72 0.13 -1.91 -3.38 132.00 132.12 3haz h PRO 86 Ca -0.41 -0.03 -0.69 0.00 -0.87 0.00 0.00 66.00 64.00 3haz h PRO 86 Cb 1.21 -0.11 -0.26 0.00 0.13 0.00 0.00 31.00 31.97 3haz h PRO 86 CO 0.80 0.31 -0.60 0.34 -0.23 0.00 0.00 178.00 178.63 3haz s ASP 87 N -5.36 5.30 0.39 1.44 -1.08 -1.26 -4.97 116.67 111.12 3haz s ASP 87 Ca -0.12 -0.86 0.11 0.00 -0.52 0.00 0.00 52.55 51.15 3haz s ASP 87 Cb 0.21 -1.91 0.89 0.00 -1.46 0.00 0.00 42.92 40.66 3haz s ASP 87 CO 0.77 -0.26 1.91 0.00 0.52 0.00 0.00 175.17 178.11 3haz h ALA 88 N 8.27 1.91 -0.12 3.66 0.00 -1.95 0.30 119.26 131.32 3haz h ALA 88 Ca -0.28 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3haz h ALA 88 Cb 1.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3haz h ALA 88 CO 0.61 -0.11 -0.02 0.07 0.00 0.00 0.00 179.25 179.81 3haz h ARG 89 N 0.60 0.17 -0.17 0.00 -0.00 -1.95 -0.39 114.38 112.65 3haz h ARG 89 Ca 0.38 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.98 60.33 3haz h ARG 89 Cb 0.66 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.97 30.59 3haz h ARG 89 CO -0.15 0.21 0.07 1.15 -0.00 0.00 0.00 179.97 181.25 3haz h THR 90 N 0.17 1.16 -0.14 0.08 2.02 -0.80 -1.69 112.91 113.71 3haz h THR 90 Ca 0.04 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.74 3haz h THR 90 Cb 0.16 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 3haz h THR 90 CO 0.00 0.15 0.09 0.00 0.37 0.00 0.00 175.52 176.14 3haz h ALA 91 N 0.91 0.18 -0.66 6.16 0.00 -1.04 -1.94 119.26 122.87 3haz h ALA 91 Ca 0.06 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.08 3haz h ALA 91 Cb 0.18 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.82 3haz h ALA 91 CO -0.00 -0.33 0.17 -0.44 0.00 0.00 0.00 179.25 178.65 3haz h ASP 92 N 0.18 0.07 -0.50 0.00 3.45 -1.01 0.89 116.42 119.51 3haz h ASP 92 Ca 0.05 0.12 -0.08 0.00 0.43 0.00 0.00 57.03 57.55 3haz h ASP 92 Cb -0.01 0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.89 3haz h ASP 92 CO -0.01 0.02 0.01 1.56 -1.57 0.00 0.00 179.24 179.25 3haz h GLN 93 N 0.30 0.88 0.03 3.56 4.20 -1.09 -1.62 115.11 121.36 3haz h GLN 93 Ca 0.35 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 3haz h GLN 93 Cb 0.54 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 3haz h GLN 93 CO -0.42 0.91 -0.02 0.35 -0.67 0.00 0.00 178.83 178.97 3haz h PHE 94 N 0.74 -0.05 -0.45 2.96 3.57 -0.50 0.14 116.94 123.35 3haz h PHE 94 Ca 0.14 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.70 3haz h PHE 94 Cb 0.50 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 3haz h PHE 94 CO 0.04 -0.03 0.18 0.82 -2.23 0.00 0.00 178.31 177.08 3haz h ILE 95 N -0.05 0.88 0.08 1.41 2.04 -0.65 0.83 117.51 122.05 3haz h ILE 95 Ca -0.00 -0.12 -0.29 0.00 1.00 0.00 0.00 64.86 65.45 3haz h ILE 95 Cb 0.05 0.49 0.03 0.00 -0.74 0.00 0.00 36.82 36.65 3haz h ILE 95 CO -0.00 0.07 -1.17 -0.33 0.00 0.00 0.00 178.15 176.71 3haz h GLU 96 N 0.36 0.66 0.06 2.37 4.39 -1.22 -3.35 114.58 117.84 3haz h GLU 96 Ca 0.21 -0.81 -0.35 0.00 0.34 0.00 0.00 59.36 58.75 3haz h GLU 96 Cb 0.18 0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 3haz h GLU 96 CO -0.20 1.36 -2.04 -0.25 -1.16 0.00 0.00 179.01 176.72 3haz n ASP 97 N -3.82 1.52 -0.07 1.42 8.00 0.47 -4.77 116.55 119.30 3haz n ASP 97 Ca -0.13 0.19 -0.14 0.00 0.71 0.00 0.00 54.79 55.42 3haz n ASP 97 Cb 0.95 -0.36 -0.05 0.00 -0.02 0.00 0.00 41.12 41.64 3haz n ASP 97 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3haz n LYS 98 N -3.24 0.31 -1.68 -1.24 4.76 0.15 -4.75 118.16 112.47 3haz n LYS 98 Ca -0.30 0.13 -0.45 0.00 -2.87 0.00 0.00 58.31 54.82 3haz n LYS 98 Cb 1.05 -1.02 -0.04 0.00 -1.84 0.00 0.00 35.03 33.18 3haz n LYS 98 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3haz n LEU 99 N -3.73 3.33 0.00 -0.35 7.94 -0.41 -1.45 117.00 122.33 3haz n LEU 99 Ca -0.25 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.74 3haz n LEU 99 Cb 0.63 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 43.11 3haz n LEU 99 CO 0.03 -0.21 0.00 0.61 -1.11 0.00 0.00 177.39 176.71 3haz n GLY 100 N 3.22 2.92 0.09 -3.96 0.00 -1.26 -4.78 105.19 101.41 3haz n GLY 100 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 3haz n GLY 100 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3haz h GLU 101 N 1.86 0.00 0.00 1.61 4.39 -1.54 -3.44 114.58 117.45 3haz h GLU 101 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3haz h GLU 101 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3haz h GLU 101 CO 0.00 0.63 0.00 0.41 -1.16 0.00 0.00 179.01 178.89 3haz n GLY 102 N 1.40 -0.86 3.76 -3.84 0.00 -1.22 -4.77 105.19 99.65 3haz n GLY 102 Ca -0.06 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 3haz n GLY 102 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3haz n ASP 103 N 0.91 -3.66 0.13 1.61 8.00 -1.26 -4.79 116.55 117.47 3haz n ASP 103 Ca 0.00 -0.67 -0.13 0.00 0.71 0.00 0.00 54.79 54.69 3haz n ASP 103 Cb 0.00 -3.01 -0.07 0.00 -0.02 0.00 0.00 41.12 38.02 3haz n ASP 103 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3haz h PHE 104 N -1.30 -0.27 -0.30 1.24 0.04 -1.94 0.14 116.94 114.56 3haz h PHE 104 Ca -0.50 -0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.09 3haz h PHE 104 Cb 1.33 0.09 -0.00 0.00 2.20 0.00 0.00 35.95 39.57 3haz h PHE 104 CO 0.65 -0.16 -0.49 0.82 -0.60 0.00 0.00 178.31 178.53 3haz h ILE 105 N -0.27 1.28 -0.46 -0.55 2.04 -1.89 -2.42 117.51 115.24 3haz h ILE 105 Ca -0.02 -1.68 0.06 0.00 1.00 0.00 0.00 64.86 64.22 3haz h ILE 105 Cb 0.22 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 3haz h ILE 105 CO 0.02 0.55 0.18 -0.74 0.00 0.00 0.00 178.15 178.15 3haz h HIS 106 N 0.65 0.31 -0.44 1.37 2.76 -1.91 0.27 115.15 118.17 3haz h HIS 106 Ca 0.03 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.19 3haz h HIS 106 Cb 1.07 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.94 3haz h HIS 106 CO 0.06 0.12 0.14 0.45 -1.30 0.00 0.00 177.93 177.40 3haz h HIS 107 N 0.36 0.70 -0.53 5.26 3.86 -0.84 0.11 115.15 124.06 3haz h HIS 107 Ca 0.22 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 3haz h HIS 107 Cb 0.20 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 3haz h HIS 107 CO -0.15 0.63 0.21 1.49 0.86 0.00 0.00 177.93 180.98 3haz h GLU 108 N 0.57 0.80 -0.03 2.45 4.81 -1.07 -1.38 114.58 120.72 3haz h GLU 108 Ca 0.14 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3haz h GLU 108 Cb 0.26 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 3haz h GLU 108 CO -0.01 0.70 -0.00 1.15 -0.73 0.00 0.00 179.01 180.12 3haz h THR 109 N 0.72 1.26 -0.24 0.32 2.02 -0.28 -2.64 112.91 114.06 3haz h THR 109 Ca 0.18 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 3haz h THR 109 Cb 0.20 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 3haz h THR 109 CO -0.01 0.21 0.12 0.11 0.37 0.00 0.00 175.52 176.31 3haz h LYS 110 N -0.26 0.35 -0.46 6.66 1.79 -0.78 -0.64 116.57 123.22 3haz h LYS 110 Ca 0.01 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.40 3haz h LYS 110 Cb 0.33 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 3haz h LYS 110 CO 0.00 0.35 0.19 0.66 -1.08 0.00 0.00 179.45 179.56 3haz h SER 111 N 0.27 0.60 -0.07 0.86 4.64 -1.31 -0.04 113.55 118.49 3haz h SER 111 Ca 0.08 -0.07 -0.19 0.00 -0.47 0.00 0.00 61.79 61.15 3haz h SER 111 Cb 0.11 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 62.06 3haz h SER 111 CO -0.01 0.54 -0.70 0.74 -0.87 0.00 0.00 176.83 176.53 3haz h THR 112 N 0.66 1.34 -0.56 2.95 2.02 -1.27 -3.16 112.91 114.88 3haz h THR 112 Ca 0.16 -2.01 0.03 0.00 0.77 0.00 0.00 66.41 65.36 3haz h THR 112 Cb 0.13 2.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.80 3haz h THR 112 CO -0.02 0.61 0.37 0.00 0.37 0.00 0.00 175.52 176.85 3haz h ALA 113 N 0.43 1.70 -1.02 6.16 0.00 -0.81 -2.16 119.26 123.56 3haz h ALA 113 Ca -0.07 -0.03 0.26 0.00 0.00 0.00 0.00 54.91 55.07 3haz h ALA 113 Cb 1.36 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 3haz h ALA 113 CO 0.14 0.25 0.67 0.35 0.00 0.00 0.00 179.25 180.66 3haz h PHE 114 N 0.67 0.55 0.00 0.00 3.57 -0.97 0.51 116.94 121.27 3haz h PHE 114 Ca 0.22 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 3haz h PHE 114 Cb 0.06 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 3haz h PHE 114 CO -0.00 0.07 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.88 3haz h LEU 115 N 0.35 0.00 0.00 0.59 3.38 -1.49 -3.09 115.31 115.06 3haz h LEU 115 Ca 0.56 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.42 3haz h LEU 115 Cb 1.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 3haz h LEU 115 CO -0.23 0.20 -1.65 1.33 0.09 0.00 0.00 178.44 178.18 3haz n VAL 116 N -3.75 0.41 -3.61 1.22 0.24 -0.45 -2.28 118.33 110.11 3haz n VAL 116 Ca -0.02 -0.37 -0.28 0.00 -2.04 0.00 0.00 64.34 61.63 3haz n VAL 116 Cb 0.31 -0.30 -0.12 0.00 -1.47 0.00 0.00 33.84 32.27 3haz n VAL 116 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3haz s ASN 117 N -3.89 3.06 0.27 -1.34 3.84 0.17 -4.99 114.94 112.05 3haz s ASN 117 Ca -0.05 -2.95 0.01 0.00 0.21 0.00 0.00 52.86 50.07 3haz s ASN 117 Cb 0.05 -0.87 0.57 0.00 -0.55 0.00 0.00 41.25 40.45 3haz s ASN 117 CO 0.46 -0.20 1.78 0.00 -2.79 0.00 0.00 177.10 176.34 3haz h ALA 118 N 6.15 1.39 0.00 1.71 0.00 -1.75 -0.59 119.26 126.16 3haz h ALA 118 Ca 0.12 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3haz h ALA 118 Cb 0.89 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3haz h ALA 118 CO 0.46 -0.03 0.00 0.66 0.00 0.00 0.00 179.25 180.34 3haz h SER 119 N 0.71 0.00 -0.39 0.00 4.64 -1.94 -2.92 113.55 113.65 3haz h SER 119 Ca 0.49 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.78 3haz h SER 119 Cb 0.67 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 3haz h SER 119 CO -0.35 0.00 0.15 0.00 -0.87 0.00 0.00 176.83 175.76 3haz h ALA 120 N 2.06 1.42 -2.70 5.18 0.00 -1.44 -3.40 119.26 120.38 3haz h ALA 120 Ca 0.00 -0.15 -0.64 0.00 0.00 0.00 0.00 54.91 54.12 3haz h ALA 120 Cb 0.26 -0.19 -0.16 0.00 0.00 0.00 0.00 17.79 17.70 3haz h ALA 120 CO 0.00 0.43 -0.31 -0.46 0.00 0.00 0.00 179.25 178.92 3haz s TRP 121 N -5.24 3.23 0.00 0.00 -0.11 -1.11 -4.99 118.94 110.72 3haz s TRP 121 Ca -0.09 0.18 0.00 0.00 1.22 0.00 0.00 56.10 57.42 3haz s TRP 121 Cb 0.16 -2.58 0.00 0.00 -1.50 0.00 0.00 33.47 29.55 3haz s TRP 121 CO 0.77 -0.30 0.00 0.00 -4.62 0.00 0.00 176.95 172.80 3haz n ALA 122 N 5.31 0.00 -3.77 5.86 0.00 -1.26 -5.04 120.51 121.61 3haz n ALA 122 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.06 3haz n ALA 122 Cb 0.50 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.80 3haz n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3haz s ALA 127 N -2.00 1.34 0.74 0.00 0.00 -1.26 -5.25 121.76 115.33 3haz s ALA 127 Ca 0.00 -1.14 -0.00 0.00 0.00 0.00 0.00 51.96 50.82 3haz s ALA 127 Cb 0.00 -1.37 0.14 0.00 0.00 0.00 0.00 23.12 21.89 3haz s ALA 127 CO 0.00 -1.35 1.02 1.03 0.00 0.00 0.00 175.76 176.46 3haz s ARG 128 N 1.70 1.54 -0.19 0.00 0.52 -1.26 -5.11 118.95 116.15 3haz s ARG 128 Ca 0.02 -1.25 -0.00 0.00 -0.52 0.00 0.00 55.73 53.98 3haz s ARG 128 Cb -0.17 -2.33 0.05 0.00 0.52 0.00 0.00 34.95 33.01 3haz s ARG 128 CO -0.14 -1.55 -0.06 0.54 0.02 0.00 0.00 175.30 174.11 3haz s VAL 129 N -3.18 1.31 -0.43 3.52 0.11 -1.26 -5.11 120.40 115.36 3haz s VAL 129 Ca 0.68 -0.83 -0.23 0.00 -2.93 0.00 0.00 61.98 58.67 3haz s VAL 129 Cb -0.04 -1.48 0.02 0.00 -1.53 0.00 0.00 36.38 33.35 3haz s VAL 129 CO 0.45 0.09 0.76 -0.63 -3.33 0.00 0.00 175.10 172.44 3haz s ILE 130 N 1.53 4.69 0.36 7.04 1.01 -1.26 -5.04 121.20 129.54 3haz s ILE 130 Ca -0.01 0.44 -0.27 0.00 0.00 0.00 0.00 60.65 60.82 3haz s ILE 130 Cb -0.16 -4.28 -0.09 0.00 0.01 0.00 0.00 42.46 37.94 3haz s ILE 130 CO -0.08 -0.65 1.19 0.00 0.00 0.00 0.00 174.94 175.41 3haz s GLN 131 N 3.18 4.23 0.72 2.79 1.03 -1.26 -5.02 119.66 125.33 3haz s GLN 131 Ca 0.29 1.93 -0.11 0.00 0.04 0.00 0.00 55.36 57.51 3haz s GLN 131 Cb -0.13 -2.87 0.02 0.00 0.03 0.00 0.00 33.01 30.07 3haz s GLN 131 CO 0.21 -0.20 1.07 -2.14 -2.54 0.00 0.00 175.29 171.70 3haz s PRO 132 N -2.02 2.70 -0.13 9.60 0.02 -1.26 -4.10 135.00 139.80 3haz s PRO 132 Ca 0.53 1.05 0.00 0.00 0.02 0.00 0.00 61.00 62.60 3haz s PRO 132 Cb -0.33 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.23 3haz s PRO 132 CO 0.43 -1.29 0.00 0.41 -0.33 0.00 0.00 177.00 176.21 3haz n GLY 133 N -1.64 0.51 3.73 0.52 0.00 -1.26 -5.00 105.19 102.04 3haz n GLY 133 Ca 0.08 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 3haz n GLY 133 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3haz s GLU 134 N -1.23 4.27 0.02 1.61 2.12 -1.26 -4.93 118.70 119.30 3haz s GLU 134 Ca 0.00 2.26 -0.32 0.00 0.36 0.00 0.00 54.97 57.27 3haz s GLU 134 Cb 0.00 -3.16 -0.11 0.00 0.26 0.00 0.00 34.13 31.12 3haz s GLU 134 CO 0.00 -0.49 1.89 -2.37 -0.54 0.00 0.00 175.26 173.75 3haz n THR 135 N 3.33 0.57 -2.09 -1.70 5.66 -1.26 -4.88 114.28 113.91 3haz n THR 135 Ca 0.10 -0.10 -0.39 0.00 -3.05 0.00 0.00 64.05 60.61 3haz n THR 135 Cb 0.40 -2.07 -0.03 0.00 -1.55 0.00 0.00 70.33 67.08 3haz n THR 135 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 3haz s PRO 136 N 3.73 2.71 0.45 1.09 0.02 -1.26 -4.95 135.00 136.78 3haz s PRO 136 Ca 0.88 0.56 0.03 0.00 0.02 0.00 0.00 61.00 62.49 3haz s PRO 136 Cb -0.55 -4.36 -0.03 0.00 0.02 0.00 0.00 34.50 29.59 3haz s PRO 136 CO 0.44 -2.64 0.07 0.16 -0.33 0.00 0.00 177.00 174.70 3haz s ASP 137 N 7.58 3.37 0.00 2.53 1.47 -1.26 -4.13 116.67 126.24 3haz s ASP 137 Ca 0.64 -1.63 0.00 0.00 1.18 0.00 0.00 52.55 52.74 3haz s ASP 137 Cb -0.12 0.42 0.00 0.00 -0.34 0.00 0.00 42.92 42.88 3haz s ASP 137 CO 0.21 -0.85 0.00 0.61 0.68 0.00 0.00 175.17 175.81 3haz n GLY 138 N -1.04 -1.38 0.32 2.12 0.00 -1.26 -1.93 105.19 102.01 3haz n GLY 138 Ca -0.11 -1.57 -0.05 0.00 0.00 0.00 0.00 46.02 44.29 3haz n GLY 138 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3haz h THR 139 N 0.00 1.25 -0.06 2.61 2.02 -1.90 -0.42 112.91 116.40 3haz h THR 139 Ca 0.00 -0.87 -0.17 0.00 0.77 0.00 0.00 66.41 66.14 3haz h THR 139 Cb 0.00 0.54 0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3haz h THR 139 CO 0.00 0.34 -0.61 0.40 0.37 0.00 0.00 175.52 176.01 3haz h ILE 140 N 0.98 1.37 -0.72 3.11 2.04 -1.85 -2.25 117.51 120.19 3haz h ILE 140 Ca 0.21 -1.97 -0.04 0.00 1.00 0.00 0.00 64.86 64.07 3haz h ILE 140 Cb 0.30 2.34 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 3haz h ILE 140 CO -0.01 0.59 0.31 1.23 0.00 0.00 0.00 178.15 180.27 3haz h GLY 141 N 0.10 1.15 1.23 5.37 0.00 -1.26 0.13 103.07 109.77 3haz h GLY 141 Ca -0.06 -0.61 -0.07 0.00 0.00 0.00 0.00 47.33 46.59 3haz h GLY 141 CO 0.12 0.58 0.08 3.21 0.00 0.00 0.00 176.54 180.53 3haz h ARG 142 N 1.03 0.95 -0.76 4.80 3.08 -1.11 -0.42 114.38 121.94 3haz h ARG 142 Ca 0.24 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3haz h ARG 142 Cb 0.19 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3haz h ARG 142 CO -0.02 0.89 0.32 1.25 -1.07 0.00 0.00 179.97 181.33 3haz h LEU 143 N 0.89 1.05 -0.40 3.04 5.85 -0.87 -2.14 115.31 122.74 3haz h LEU 143 Ca 0.18 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 3haz h LEU 143 Cb 0.41 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3haz h LEU 143 CO 0.01 0.93 0.01 0.58 -0.34 0.00 0.00 178.44 179.62 3haz h VAL 144 N 1.10 1.26 -0.81 1.05 2.07 -0.19 0.56 116.25 121.29 3haz h VAL 144 Ca 0.26 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.80 3haz h VAL 144 Cb 0.20 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3haz h VAL 144 CO -0.02 0.34 0.54 0.50 0.02 0.00 0.00 177.57 178.94 3haz h LYS 145 N 0.52 1.04 0.09 1.57 3.64 -0.96 0.39 116.57 122.86 3haz h LYS 145 Ca 0.11 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 3haz h LYS 145 Cb 0.46 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3haz h LYS 145 CO 0.02 0.68 -0.60 -0.09 -2.27 0.00 0.00 179.45 177.19 3haz h ARG 146 N 1.07 0.19 0.00 1.90 2.43 -1.01 -3.39 114.38 115.57 3haz h ARG 146 Ca 0.31 -0.33 -0.24 0.00 -0.81 0.00 0.00 59.98 58.90 3haz h ARG 146 Cb -0.07 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 3haz h ARG 146 CO -0.08 1.16 -2.16 1.28 -1.51 0.00 0.00 179.97 178.66 3haz n LEU 147 N -4.27 0.11 0.00 3.80 4.77 0.16 -5.11 117.00 116.45 3haz n LEU 147 Ca -0.14 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3haz n LEU 147 Cb 0.72 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 3haz n LEU 147 CO 0.43 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3haz n GLY 148 N 1.57 1.73 0.27 -0.72 0.00 0.14 -4.54 105.19 103.64 3haz n GLY 148 Ca -0.22 -1.70 -0.05 0.00 0.00 0.00 0.00 46.02 44.06 3haz n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3haz h ALA 149 N 0.00 0.87 -1.01 4.61 0.00 -1.86 -2.80 119.26 119.07 3haz h ALA 149 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3haz h ALA 149 Cb 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.48 3haz h ALA 149 CO 0.00 0.25 0.66 -1.35 0.00 0.00 0.00 179.25 178.81 3haz h PRO 150 N 0.88 1.26 -0.23 0.00 0.11 -1.95 -1.48 132.00 130.59 3haz h PRO 150 Ca 0.26 -0.08 -0.09 0.00 0.11 0.00 0.00 66.00 66.20 3haz h PRO 150 Cb -0.05 -0.29 -0.01 0.00 0.11 0.00 0.00 31.00 30.76 3haz h PRO 150 CO -0.08 0.84 -0.26 0.00 -0.21 0.00 0.00 178.00 178.29 3haz h ALA 151 N 1.40 1.12 -0.66 -0.75 0.00 -1.76 -1.53 119.26 117.09 3haz h ALA 151 Ca 0.39 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3haz h ALA 151 Cb -0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3haz h ALA 151 CO -0.11 0.55 0.09 0.28 0.00 0.00 0.00 179.25 180.06 3haz h VAL 152 N 0.39 1.26 -0.30 0.00 2.07 -1.12 0.26 116.25 118.81 3haz h VAL 152 Ca 0.06 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 3haz h VAL 152 Cb 0.67 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3haz h VAL 152 CO 0.05 0.40 0.17 0.03 0.02 0.00 0.00 177.57 178.24 3haz h ARG 153 N 1.03 0.41 -0.43 1.57 3.08 -1.01 0.16 114.38 119.18 3haz h ARG 153 Ca 0.20 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3haz h ARG 153 Cb 0.46 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3haz h ARG 153 CO 0.02 0.33 0.28 1.15 -1.07 0.00 0.00 179.97 180.68 3haz h THR 154 N 0.37 1.11 -0.81 2.04 2.02 -0.97 -0.04 112.91 116.63 3haz h THR 154 Ca 0.11 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 3haz h THR 154 Cb 0.04 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 3haz h THR 154 CO -0.02 0.11 0.44 0.00 0.37 0.00 0.00 175.52 176.42 3haz h ALA 155 N 1.15 1.24 -0.64 6.16 0.00 -0.27 -1.96 119.26 124.95 3haz h ALA 155 Ca 0.16 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3haz h ALA 155 Cb -0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 3haz h ALA 155 CO -0.03 0.61 0.06 1.15 0.00 0.00 0.00 179.25 181.03 3haz h THR 156 N 1.14 1.27 -0.76 0.00 2.02 -0.15 -1.02 112.91 115.40 3haz h THR 156 Ca 0.29 -1.10 -0.04 0.00 0.77 0.00 0.00 66.41 66.33 3haz h THR 156 Cb 0.04 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 3haz h THR 156 CO -0.04 0.41 0.33 0.03 0.37 0.00 0.00 175.52 176.61 3haz h ARG 157 N 1.00 1.12 -0.56 6.66 3.08 -0.73 -0.76 114.38 124.18 3haz h ARG 157 Ca 0.19 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 3haz h ARG 157 Cb 0.50 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3haz h ARG 157 CO 0.02 0.89 0.11 0.37 -1.07 0.00 0.00 179.97 180.29 3haz h GLN 158 N 1.10 0.91 -0.62 0.04 4.15 -1.13 -2.26 115.11 117.30 3haz h GLN 158 Ca 0.26 -0.23 0.03 0.00 0.77 0.00 0.00 58.65 59.47 3haz h GLN 158 Cb 0.17 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 3haz h GLN 158 CO -0.03 0.87 0.41 0.00 -1.93 0.00 0.00 178.83 178.15 3haz h ALA 159 N 1.01 1.64 -0.64 3.38 0.00 -0.74 -1.67 119.26 122.23 3haz h ALA 159 Ca 0.17 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3haz h ALA 159 Cb 0.38 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3haz h ALA 159 CO 0.01 0.30 0.13 0.52 0.00 0.00 0.00 179.25 180.21 3haz h MET 160 N 0.76 1.05 -0.06 0.00 2.86 -0.60 0.52 114.93 119.46 3haz h MET 160 Ca 0.24 -0.27 -0.11 0.00 -2.06 0.00 0.00 59.70 57.50 3haz h MET 160 Cb 0.04 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 3haz h MET 160 CO -0.06 0.96 -0.48 0.07 1.06 0.00 0.00 176.91 178.46 3haz h ARG 161 N 0.97 0.14 -0.16 1.72 0.11 -0.90 -1.24 114.38 115.02 3haz h ARG 161 Ca 0.20 -0.08 -0.05 0.00 0.10 0.00 0.00 59.98 60.15 3haz h ARG 161 Cb 0.40 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.48 3haz h ARG 161 CO 0.01 0.59 -0.11 -0.07 0.10 0.00 0.00 179.97 180.49 3haz h LEU 162 N 0.12 0.38 -0.86 0.08 3.38 -0.87 -0.82 115.31 116.71 3haz h LEU 162 Ca 0.00 -0.44 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 3haz h LEU 162 Cb 0.89 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3haz h LEU 162 CO 0.07 0.74 0.08 0.24 0.09 0.00 0.00 178.44 179.65 3haz h MET 163 N 0.02 0.92 0.00 1.13 2.86 -0.86 -0.33 114.93 118.67 3haz h MET 163 Ca 0.03 -0.23 -0.18 0.00 -2.06 0.00 0.00 59.70 57.26 3haz h MET 163 Cb 0.61 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 3haz h MET 163 CO 0.03 0.87 -0.83 0.78 1.06 0.00 0.00 176.91 178.82 3haz h GLY 164 N 1.01 0.06 0.73 8.32 0.00 -1.19 -3.07 103.07 108.92 3haz h GLY 164 Ca 0.18 -0.10 -0.31 0.00 0.00 0.00 0.00 47.33 47.09 3haz h GLY 164 CO 0.01 0.09 -1.88 0.70 0.00 0.00 0.00 176.54 175.46 3haz n ASN 165 N -3.60 0.65 -0.24 0.19 3.02 -0.32 -4.56 115.26 110.40 3haz n ASN 165 Ca -0.01 0.31 0.04 0.00 -0.03 0.00 0.00 54.58 54.88 3haz n ASN 165 Cb 0.78 0.22 0.02 0.00 -0.61 0.00 0.00 39.78 40.19 3haz n ASN 165 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3haz n HIS 166 N -2.96 0.00 -4.50 3.10 8.25 -0.15 -4.95 115.22 114.00 3haz n HIS 166 Ca -0.21 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.02 3haz n HIS 166 Cb 1.08 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 32.05 3haz n HIS 166 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3haz s PHE 167 N -0.83 1.57 -0.46 4.41 0.08 -1.16 -4.24 117.98 117.35 3haz s PHE 167 Ca 0.08 -0.37 -0.04 0.00 0.12 0.00 0.00 56.93 56.72 3haz s PHE 167 Cb 0.06 -0.93 0.12 0.00 -0.57 0.00 0.00 43.02 41.70 3haz s PHE 167 CO 0.13 0.08 0.27 0.08 -0.10 0.00 0.00 175.22 175.68 3haz s VAL 168 N -0.84 3.50 0.16 -0.44 1.01 0.15 -4.73 120.40 119.20 3haz s VAL 168 Ca 0.05 -2.19 0.09 0.00 0.00 0.00 0.00 61.98 59.93 3haz s VAL 168 Cb -0.08 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 3haz s VAL 168 CO 0.02 -0.74 -0.19 -0.76 0.00 0.00 0.00 175.10 173.42 3haz s LEU 169 N 0.94 2.41 0.23 3.92 1.02 -1.26 -1.70 118.68 124.25 3haz s LEU 169 Ca 0.10 -0.83 -0.22 0.00 0.02 0.00 0.00 54.13 53.19 3haz s LEU 169 Cb -0.23 -0.88 0.04 0.00 0.02 0.00 0.00 46.19 45.14 3haz s LEU 169 CO -0.04 -0.00 0.76 -0.83 0.02 0.00 0.00 176.35 176.26 3haz s GLY 170 N -2.53 -0.19 0.38 -3.19 0.00 -0.98 -4.26 107.32 96.56 3haz s GLY 170 Ca 0.15 -0.09 0.11 0.00 0.00 0.00 0.00 44.72 44.88 3haz s GLY 170 CO 0.06 -0.03 1.88 0.83 0.00 0.00 0.00 173.10 175.84 3haz h GLU 171 N 2.00 0.15 -5.08 2.90 5.08 -1.94 0.00 114.58 117.69 3haz h GLU 171 Ca -0.22 -0.04 -0.40 0.00 -1.00 0.00 0.00 59.36 57.70 3haz h GLU 171 Cb 1.25 -0.02 -0.14 0.00 0.50 0.00 0.00 28.75 30.35 3haz h GLU 171 CO 0.25 0.38 -0.63 0.95 -1.00 0.00 0.00 179.01 178.96 3haz s THR 172 N -4.51 0.96 0.23 1.13 -4.23 -1.26 -4.41 115.64 103.55 3haz s THR 172 Ca -0.04 -2.02 -0.06 0.00 -1.18 0.00 0.00 61.69 58.39 3haz s THR 172 Cb 0.15 -2.55 0.17 0.00 1.34 0.00 0.00 72.50 71.61 3haz s THR 172 CO 0.73 -0.15 1.80 -0.29 -0.54 0.00 0.00 174.62 176.18 3haz h ILE 173 N 2.34 1.25 -0.97 2.99 6.09 -1.89 -2.50 117.51 124.83 3haz h ILE 173 Ca -0.39 -0.79 0.09 0.00 -1.37 0.00 0.00 64.86 62.40 3haz h ILE 173 Cb 1.24 0.32 -0.08 0.00 0.47 0.00 0.00 36.82 38.77 3haz h ILE 173 CO 0.65 0.32 0.61 -0.33 -3.07 0.00 0.00 178.15 176.34 3haz h GLU 174 N 1.12 1.01 -0.24 2.19 3.07 -1.97 0.71 114.58 120.47 3haz h GLU 174 Ca 0.26 -0.06 -0.11 0.00 -0.50 0.00 0.00 59.36 58.95 3haz h GLU 174 Cb 0.20 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 27.88 3haz h GLU 174 CO -0.02 0.67 -0.26 0.37 -1.40 0.00 0.00 179.01 178.37 3haz h GLN 175 N 1.04 0.60 -0.15 2.33 4.15 -1.84 -1.17 115.11 120.08 3haz h GLN 175 Ca 0.45 -0.33 0.02 0.00 0.77 0.00 0.00 58.65 59.57 3haz h GLN 175 Cb 0.33 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 3haz h GLN 175 CO -0.22 0.92 0.03 0.00 -1.93 0.00 0.00 178.83 177.63 3haz h ALA 176 N 0.67 0.15 -0.68 3.38 0.00 -0.97 -1.13 119.26 120.69 3haz h ALA 176 Ca 0.04 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3haz h ALA 176 Cb 0.82 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3haz h ALA 176 CO 0.06 -0.41 0.31 -0.07 0.00 0.00 0.00 179.25 179.14 3haz h LEU 177 N 0.10 0.90 -0.79 0.00 3.38 -0.82 -0.72 115.31 117.36 3haz h LEU 177 Ca 0.07 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3haz h LEU 177 Cb 0.06 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3haz h LEU 177 CO -0.09 0.80 0.34 -0.08 0.09 0.00 0.00 178.44 179.50 3haz h GLU 178 N 0.95 1.16 0.00 1.13 4.57 -1.06 -2.58 114.58 118.75 3haz h GLU 178 Ca 0.23 -0.19 -0.08 0.00 -1.18 0.00 0.00 59.36 58.14 3haz h GLU 178 Cb 0.15 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 3haz h GLU 178 CO -0.03 0.92 -0.38 -0.09 -1.18 0.00 0.00 179.01 178.26 3haz h ARG 179 N 1.13 0.00 -0.01 1.92 2.43 -0.63 -3.00 114.38 116.22 3haz h ARG 179 Ca 0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3haz h ARG 179 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3haz h ARG 179 CO -0.03 0.38 -0.07 0.41 -1.51 0.00 0.00 179.97 179.15 3haz n GLY 180 N -0.38 -0.17 3.75 2.80 0.00 -0.33 -4.95 105.19 105.90 3haz n GLY 180 Ca -0.02 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 3haz n GLY 180 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3haz s LYS 181 N -2.13 2.74 0.70 1.61 1.02 -1.05 -5.04 119.74 117.59 3haz s LYS 181 Ca 0.34 1.65 -0.11 0.00 0.02 0.00 0.00 55.97 57.88 3haz s LYS 181 Cb 0.21 -1.92 0.16 0.00 -0.52 0.00 0.00 37.83 35.76 3haz s LYS 181 CO 0.38 -1.34 0.96 -2.30 -0.92 0.00 0.00 175.35 172.12 3haz n PRO 182 N -2.10 -0.82 0.00 -1.68 -0.02 -1.26 -5.07 135.00 124.05 3haz n PRO 182 Ca 0.12 -1.60 0.00 0.00 -2.02 0.00 0.00 63.50 60.01 3haz n PRO 182 Cb 0.51 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 33.04 3haz n PRO 182 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3haz n ARG 183 N -3.00 0.00 -3.63 -0.52 0.00 -1.26 -4.98 116.66 103.28 3haz n ARG 183 Ca 0.12 0.09 -0.09 0.00 -0.00 0.00 0.00 57.85 57.97 3haz n ARG 183 Cb 0.43 -1.05 -0.07 0.00 -0.00 0.00 0.00 32.46 31.77 3haz n ARG 183 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3haz s SER 184 N -2.09 -0.44 -0.42 2.89 0.15 -1.26 -4.91 113.70 107.62 3haz s SER 184 Ca 0.00 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.48 3haz s SER 184 Cb 0.00 0.83 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 3haz s SER 184 CO 0.00 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.88 3haz n GLY 185 N 2.07 -0.45 3.60 9.45 0.00 -1.26 -4.88 105.19 113.72 3haz n GLY 185 Ca -0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 3haz n GLY 185 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3haz s GLN 186 N -4.87 1.97 -0.05 1.61 -0.21 -1.26 -5.04 119.66 111.80 3haz s GLN 186 Ca 0.00 -1.89 -0.04 0.00 0.02 0.00 0.00 55.36 53.44 3haz s GLN 186 Cb 0.00 -1.79 -0.04 0.00 1.00 0.00 0.00 33.01 32.18 3haz s GLN 186 CO 0.00 0.08 0.15 -1.59 -2.12 0.00 0.00 175.29 171.82 3haz s LYS 187 N -3.69 3.40 0.19 2.91 0.00 -1.26 -4.52 119.74 116.77 3haz s LYS 187 Ca 0.34 -0.27 -0.30 0.00 0.00 0.00 0.00 55.97 55.74 3haz s LYS 187 Cb 0.03 -3.10 -0.09 0.00 0.00 0.00 0.00 37.83 34.67 3haz s LYS 187 CO 0.18 0.71 1.38 0.99 0.00 0.00 0.00 175.35 178.61 3haz s THR 188 N -1.20 3.04 -2.03 3.79 2.01 -0.69 -4.90 115.64 115.67 3haz s THR 188 Ca 0.22 0.83 0.10 0.00 0.31 0.00 0.00 61.69 63.15 3haz s THR 188 Cb -0.12 -3.53 0.27 0.00 0.01 0.00 0.00 72.50 69.13 3haz s THR 188 CO 0.13 0.11 1.33 0.54 -0.69 0.00 0.00 174.62 176.04 3haz n ARG 189 N 2.90 1.20 -4.03 4.92 1.74 -1.26 -4.84 116.66 117.28 3haz n ARG 189 Ca 0.08 -0.31 -0.12 0.00 -0.77 0.00 0.00 57.85 56.72 3haz n ARG 189 Cb 0.42 -1.18 -0.12 0.00 -1.02 0.00 0.00 32.46 30.55 3haz n ARG 189 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3haz s TYR 190 N -1.91 0.42 0.50 -1.55 2.02 -1.26 -4.65 117.35 110.91 3haz s TYR 190 Ca 0.16 -0.34 -0.02 0.00 -0.37 0.00 0.00 57.07 56.51 3haz s TYR 190 Cb 0.08 -0.26 -0.00 0.00 -0.40 0.00 0.00 41.96 41.37 3haz s TYR 190 CO 0.12 -0.08 0.75 -1.12 -1.57 0.00 0.00 175.55 173.66 3haz s SER 191 N -0.97 5.79 -0.28 2.29 0.01 0.44 -4.77 113.70 116.21 3haz s SER 191 Ca -0.07 0.48 -0.08 0.00 1.31 0.00 0.00 55.95 57.59 3haz s SER 191 Cb -0.07 -1.65 -0.02 0.00 0.21 0.00 0.00 66.02 64.49 3haz s SER 191 CO -0.00 -0.80 0.10 -0.36 0.41 0.00 0.00 173.24 172.59 3haz s PHE 192 N -2.71 3.13 -0.70 2.43 0.40 -0.16 0.09 117.98 120.46 3haz s PHE 192 Ca 0.50 -0.55 -0.18 0.00 -0.60 0.00 0.00 56.93 56.10 3haz s PHE 192 Cb -0.10 -2.28 0.13 0.00 0.51 0.00 0.00 43.02 41.28 3haz s PHE 192 CO 0.41 -0.42 0.80 0.34 0.70 0.00 0.00 175.22 177.05 3haz s ASP 193 N 1.60 6.38 0.19 1.36 2.15 0.30 -0.75 116.67 127.90 3haz s ASP 193 Ca 0.05 -1.79 -0.30 0.00 0.43 0.00 0.00 52.55 50.94 3haz s ASP 193 Cb -0.16 -2.30 -0.09 0.00 -0.30 0.00 0.00 42.92 40.07 3haz s ASP 193 CO 0.04 -1.00 1.31 -0.04 -0.17 0.00 0.00 175.17 175.31 3haz s MET 194 N 2.21 4.39 0.38 4.34 -1.94 -1.24 -1.31 119.30 126.13 3haz s MET 194 Ca 0.17 2.04 0.07 0.00 -1.71 0.00 0.00 55.69 56.26 3haz s MET 194 Cb -0.18 -3.20 0.80 0.00 2.01 0.00 0.00 34.83 34.26 3haz s MET 194 CO 0.00 -0.25 2.00 -0.07 -0.01 0.00 0.00 175.02 176.69 3haz h LEU 195 N 5.44 0.58 -9.84 -0.03 4.07 -1.51 -3.46 115.31 110.56 3haz h LEU 195 Ca -0.45 -0.00 -0.56 0.00 0.08 0.00 0.00 57.88 56.95 3haz h LEU 195 Cb 1.21 -0.13 0.12 0.00 1.08 0.00 0.00 40.66 42.94 3haz h LEU 195 CO 0.77 0.39 0.57 0.61 -1.08 0.00 0.00 178.44 179.71 3haz n GLY 196 N -1.46 0.74 3.40 0.83 0.00 -1.26 -4.80 105.19 102.62 3haz n GLY 196 Ca 0.08 0.26 -0.13 0.00 0.00 0.00 0.00 46.02 46.22 3haz n GLY 196 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3haz s GLU 197 N -2.10 1.11 -0.75 1.61 -1.05 -1.26 -4.67 118.70 111.59 3haz s GLU 197 Ca 0.57 -0.33 -0.05 0.00 -0.15 0.00 0.00 54.97 55.01 3haz s GLU 197 Cb -0.52 0.51 0.01 0.00 -0.44 0.00 0.00 34.13 33.69 3haz s GLU 197 CO 0.61 -0.43 0.63 0.41 0.95 0.00 0.00 175.26 177.43 3haz n GLY 198 N 0.14 -1.13 3.66 -3.83 0.00 -1.15 -4.69 105.19 98.18 3haz n GLY 198 Ca -0.18 0.67 -0.47 0.00 0.00 0.00 0.00 46.02 46.05 3haz n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3haz n ALA 199 N -2.05 1.00 0.02 4.61 0.00 0.50 -4.88 120.51 119.71 3haz n ALA 199 Ca -0.20 0.45 0.09 0.00 0.00 0.00 0.00 53.44 53.77 3haz n ALA 199 Cb 0.64 -2.30 -0.12 0.00 0.00 0.00 0.00 19.45 17.67 3haz n ALA 199 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3haz n ARG 200 N 3.06 0.64 -4.29 0.00 3.00 -1.26 -4.21 116.66 113.59 3haz n ARG 200 Ca 0.16 -0.06 -0.16 0.00 -0.01 0.00 0.00 57.85 57.78 3haz n ARG 200 Cb 0.28 -1.63 -0.10 0.00 0.00 0.00 0.00 32.46 31.01 3haz n ARG 200 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3haz s THR 201 N -3.35 1.06 0.21 0.55 -4.23 -1.26 -3.25 115.64 105.36 3haz s THR 201 Ca -0.06 -2.04 -0.09 0.00 -1.18 0.00 0.00 61.69 58.32 3haz s THR 201 Cb 0.12 -2.15 0.16 0.00 1.34 0.00 0.00 72.50 71.97 3haz s THR 201 CO 0.86 -0.49 1.84 0.00 -0.54 0.00 0.00 174.62 176.30 3haz h ALA 202 N 2.60 1.01 -0.50 3.99 0.00 -1.95 -2.29 119.26 122.12 3haz h ALA 202 Ca -0.38 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 3haz h ALA 202 Cb 1.21 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3haz h ALA 202 CO 0.64 0.50 0.16 0.00 0.00 0.00 0.00 179.25 180.55 3haz h ALA 203 N 1.24 1.33 -0.18 0.00 0.00 -1.96 -2.35 119.26 117.34 3haz h ALA 203 Ca 0.28 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3haz h ALA 203 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3haz h ALA 203 CO -0.05 0.48 0.11 -0.44 0.00 0.00 0.00 179.25 179.35 3haz h ASP 204 N 0.73 0.17 -0.69 0.00 3.32 -1.82 -1.03 116.42 117.09 3haz h ASP 204 Ca 0.17 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.26 3haz h ASP 204 Cb 0.22 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 3haz h ASP 204 CO -0.01 0.13 0.45 0.00 -1.72 0.00 0.00 179.24 178.09 3haz h ALA 205 N 1.08 1.64 -0.20 3.45 0.00 -1.08 -0.32 119.26 123.83 3haz h ALA 205 Ca 0.07 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 3haz h ALA 205 Cb -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3haz h ALA 205 CO -0.03 0.28 -0.59 0.00 0.00 0.00 0.00 179.25 178.91 3haz h ARG 206 N 0.80 0.75 -0.42 0.00 3.08 -1.15 -2.10 114.38 115.34 3haz h ARG 206 Ca 0.28 -0.54 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 3haz h ARG 206 Cb 0.12 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3haz h ARG 206 CO -0.08 1.16 0.23 -0.09 -1.07 0.00 0.00 179.97 180.12 3haz h ARG 207 N 0.47 0.59 -0.47 0.04 2.43 -0.58 0.38 114.38 117.24 3haz h ARG 207 Ca -0.02 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 3haz h ARG 207 Cb 1.21 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 3haz h ARG 207 CO 0.13 0.47 0.08 1.88 -1.51 0.00 0.00 179.97 181.02 3haz h TYR 208 N 0.55 0.82 -0.28 2.20 0.05 -1.11 0.88 116.97 120.08 3haz h TYR 208 Ca 0.15 -0.11 0.06 0.00 0.05 0.00 0.00 58.73 58.87 3haz h TYR 208 Cb 0.06 -0.23 -0.06 0.00 1.01 0.00 0.00 36.73 37.51 3haz h TYR 208 CO -0.02 0.77 -0.10 0.35 -1.05 0.00 0.00 178.16 178.11 3haz h PHE 209 N 0.64 -0.22 -0.68 4.88 3.57 -1.14 -0.72 116.94 123.28 3haz h PHE 209 Ca 0.14 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3haz h PHE 209 Cb 0.38 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 3haz h PHE 209 CO 0.03 -0.15 0.39 -0.44 -2.23 0.00 0.00 178.31 175.91 3haz h ASP 210 N -0.04 0.82 -0.38 0.41 3.32 -0.56 -0.56 116.42 119.43 3haz h ASP 210 Ca 0.14 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.13 3haz h ASP 210 Cb 0.25 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3haz h ASP 210 CO -0.31 0.66 0.24 0.00 -1.72 0.00 0.00 179.24 178.11 3haz h ALA 211 N 1.20 0.48 -0.28 3.45 0.00 -0.47 0.18 119.26 123.83 3haz h ALA 211 Ca 0.24 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3haz h ALA 211 Cb -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3haz h ALA 211 CO -0.04 -0.08 0.16 1.88 0.00 0.00 0.00 179.25 181.17 3haz h TYR 212 N 0.50 0.30 -0.43 0.00 0.05 -0.85 0.15 116.97 116.69 3haz h TYR 212 Ca 0.14 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.98 3haz h TYR 212 Cb -0.04 -0.09 -0.04 0.00 1.01 0.00 0.00 36.73 37.57 3haz h TYR 212 CO -0.06 0.18 0.19 0.00 -1.05 0.00 0.00 178.16 177.42 3haz h ALA 213 N 1.12 0.53 -0.79 3.88 0.00 -0.68 0.64 119.26 123.96 3haz h ALA 213 Ca 0.11 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3haz h ALA 213 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3haz h ALA 213 CO -0.05 -0.18 0.34 0.77 0.00 0.00 0.00 179.25 180.12 3haz h SER 214 N 0.38 1.06 -0.42 0.00 0.02 -0.36 -2.61 113.55 111.62 3haz h SER 214 Ca 0.19 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 3haz h SER 214 Cb 0.14 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3haz h SER 214 CO -0.16 0.92 0.02 0.00 -1.14 0.00 0.00 176.83 176.47 3haz h ALA 215 N 1.23 0.57 -0.81 3.77 0.00 0.20 -1.79 119.26 122.43 3haz h ALA 215 Ca 0.27 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3haz h ALA 215 Cb 0.17 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 3haz h ALA 215 CO -0.03 0.34 0.49 0.82 0.00 0.00 0.00 179.25 180.87 3haz h ILE 216 N 0.57 1.02 -0.30 0.00 2.04 -0.78 0.16 117.51 120.22 3haz h ILE 216 Ca 0.12 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 3haz h ILE 216 Cb 0.46 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 3haz h ILE 216 CO 0.02 0.16 0.05 -0.33 0.00 0.00 0.00 178.15 178.05 3haz h GLU 217 N 0.89 0.50 0.18 2.37 4.39 -1.25 0.13 114.58 121.79 3haz h GLU 217 Ca 0.36 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.93 3haz h GLU 217 Cb 0.19 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3haz h GLU 217 CO -0.18 0.59 -0.16 1.15 -1.16 0.00 0.00 179.01 179.26 3haz h THR 218 N 0.32 0.65 -0.70 1.13 2.02 -0.87 -1.00 112.91 114.46 3haz h THR 218 Ca 0.09 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.31 3haz h THR 218 Cb 0.34 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.35 3haz h THR 218 CO 0.01 0.00 0.43 0.40 0.37 0.00 0.00 175.52 176.73 3haz h ILE 219 N -0.36 1.07 0.14 3.11 2.04 -0.68 -3.05 117.51 119.78 3haz h ILE 219 Ca -0.00 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.58 3haz h ILE 219 Cb 0.33 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 3haz h ILE 219 CO -0.03 0.15 -0.22 1.23 0.00 0.00 0.00 178.15 179.28 3haz h GLY 220 N 0.83 -0.43 2.00 5.37 0.00 -0.37 -2.11 103.07 108.37 3haz h GLY 220 Ca 0.29 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.88 3haz h GLY 220 CO -0.13 -0.20 0.00 0.28 0.00 0.00 0.00 176.54 176.49 3haz n LYS 221 N -5.35 0.12 -2.49 4.80 5.02 -0.41 -2.24 118.16 117.61 3haz n LYS 221 Ca -0.07 0.53 -0.20 0.00 -2.02 0.00 0.00 58.31 56.54 3haz n LYS 221 Cb 0.26 -1.82 0.01 0.00 -0.02 0.00 0.00 35.03 33.47 3haz n LYS 221 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3haz n ALA 222 N -1.70 4.49 0.79 7.82 0.00 -0.82 -4.86 120.51 126.22 3haz n ALA 222 Ca 0.00 -3.86 0.10 0.00 0.00 0.00 0.00 53.44 49.69 3haz n ALA 222 Cb 0.09 -0.64 -0.08 0.00 0.00 0.00 0.00 19.45 18.82 3haz n ALA 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3haz n ALA 223 N -0.41 4.20 0.00 0.00 0.00 -0.95 -1.70 120.51 121.66 3haz n ALA 223 Ca 0.30 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3haz n ALA 223 Cb 0.75 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.38 3haz n ALA 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3haz n GLY 224 N 1.45 -2.35 0.32 0.00 0.00 -1.26 -4.58 105.19 98.76 3haz n GLY 224 Ca 0.03 -1.56 0.06 0.00 0.00 0.00 0.00 46.02 44.55 3haz n GLY 224 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3haz n ASN 225 N -0.79 1.48 -4.82 1.61 5.03 -1.26 -5.02 115.26 111.49 3haz n ASN 225 Ca 0.00 -1.24 -0.31 0.00 0.87 0.00 0.00 54.58 53.91 3haz n ASN 225 Cb 0.00 0.42 0.06 0.00 -1.02 0.00 0.00 39.78 39.24 3haz n ASN 225 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3haz s HIS 226 N -1.55 3.03 0.58 3.10 3.76 -1.26 -5.06 115.29 117.89 3haz s HIS 226 Ca 0.11 1.31 -0.07 0.00 -0.15 0.00 0.00 55.06 56.27 3haz s HIS 226 Cb 0.10 -2.96 -0.01 0.00 1.11 0.00 0.00 32.58 30.82 3haz s HIS 226 CO 0.31 -1.41 0.90 0.00 -0.85 0.00 0.00 174.74 173.69 3haz s ALA 227 N -3.09 3.27 0.40 -1.40 0.00 -1.26 -4.71 121.76 114.96 3haz s ALA 227 Ca 0.59 -0.57 -0.25 0.00 0.00 0.00 0.00 51.96 51.73 3haz s ALA 227 Cb -0.14 -2.68 -0.11 0.00 0.00 0.00 0.00 23.12 20.19 3haz s ALA 227 CO 0.55 -0.71 1.04 1.28 0.00 0.00 0.00 175.76 177.92 3haz n LEU 228 N -2.55 2.64 -0.41 0.00 4.32 -1.26 -0.46 117.00 119.28 3haz n LEU 228 Ca 0.04 1.07 0.10 0.00 -0.02 0.00 0.00 56.01 57.20 3haz n LEU 228 Cb 0.57 -1.36 0.43 0.00 -1.62 0.00 0.00 43.42 41.43 3haz n LEU 228 CO 0.54 -1.35 0.80 -0.81 -1.22 0.00 0.00 177.39 175.35 3haz n PRO 229 N 0.25 1.54 -1.22 3.23 -0.05 -1.26 -4.95 135.00 132.54 3haz n PRO 229 Ca 0.09 -0.81 -0.21 0.00 -0.05 0.00 0.00 63.50 62.52 3haz n PRO 229 Cb 0.38 -1.37 -0.06 0.00 -0.05 0.00 0.00 33.50 32.40 3haz n PRO 229 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 3haz n ASP 230 N 0.03 6.19 -4.24 3.54 2.03 0.39 -4.80 116.55 119.69 3haz n ASP 230 Ca 0.16 -3.00 -0.14 0.00 0.52 0.00 0.00 54.79 52.33 3haz n ASP 230 Cb 0.26 -1.23 -0.10 0.00 -0.72 0.00 0.00 41.12 39.34 3haz n ASP 230 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3haz s ARG 231 N -1.15 1.06 0.76 -0.67 0.52 -1.26 -4.61 118.95 113.60 3haz s ARG 231 Ca 0.52 -1.47 -0.11 0.00 -0.52 0.00 0.00 55.73 54.15 3haz s ARG 231 Cb 0.32 -0.49 0.05 0.00 0.52 0.00 0.00 34.95 35.35 3haz s ARG 231 CO -0.12 0.01 1.08 -2.14 0.02 0.00 0.00 175.30 174.14 3haz s PRO 232 N -3.80 2.37 0.31 3.54 0.02 -1.26 -4.66 135.00 131.52 3haz s PRO 232 Ca 0.18 0.82 0.07 0.00 0.02 0.00 0.00 61.00 62.10 3haz s PRO 232 Cb 0.04 -1.94 -0.06 0.00 0.02 0.00 0.00 34.50 32.56 3haz s PRO 232 CO 0.01 -1.47 -0.06 0.20 -0.33 0.00 0.00 177.00 175.35 3haz s GLY 233 N -3.78 2.00 -0.00 0.52 0.00 -1.26 -2.25 107.32 102.55 3haz s GLY 233 Ca 0.60 -1.99 0.04 0.00 0.00 0.00 0.00 44.72 43.36 3haz s GLY 233 CO 0.55 -1.92 -0.12 -1.50 0.00 0.00 0.00 173.10 170.11 3haz s ILE 234 N -2.88 0.94 -0.12 0.90 2.07 -0.57 -0.99 121.20 120.55 3haz s ILE 234 Ca 0.31 -0.57 -0.05 0.00 -1.41 0.00 0.00 60.65 58.94 3haz s ILE 234 Cb 0.04 -0.80 -0.04 0.00 0.13 0.00 0.00 42.46 41.80 3haz s ILE 234 CO 0.14 0.22 0.05 -0.44 -1.91 0.00 0.00 174.94 173.00 3haz s SER 235 N -0.40 5.61 0.02 4.50 0.01 0.07 -1.51 113.70 122.00 3haz s SER 235 Ca 0.04 0.20 0.04 0.00 1.31 0.00 0.00 55.95 57.54 3haz s SER 235 Cb -0.05 -1.76 -0.02 0.00 0.21 0.00 0.00 66.02 64.41 3haz s SER 235 CO -0.00 0.33 -0.12 -0.69 0.41 0.00 0.00 173.24 173.17 3haz s VAL 236 N -0.57 0.92 -0.17 3.43 1.01 -0.06 -3.70 120.40 121.26 3haz s VAL 236 Ca 0.11 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 3haz s VAL 236 Cb -0.12 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.43 3haz s VAL 236 CO 0.02 0.07 -0.12 -0.54 0.00 0.00 0.00 175.10 174.53 3haz s LYS 237 N -0.78 3.29 0.38 2.72 1.02 -1.26 -0.00 119.74 125.10 3haz s LYS 237 Ca 0.02 -0.70 0.09 0.00 0.02 0.00 0.00 55.97 55.39 3haz s LYS 237 Cb -0.06 -2.75 0.84 0.00 -0.52 0.00 0.00 37.83 35.34 3haz s LYS 237 CO 0.00 -0.03 1.95 -0.07 -0.92 0.00 0.00 175.35 176.28 3haz h LEU 238 N 7.49 0.57 -1.82 3.17 3.38 -1.96 -0.96 115.31 125.18 3haz h LEU 238 Ca -0.35 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 3haz h LEU 238 Cb 1.18 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3haz h LEU 238 CO 0.59 0.35 -0.08 0.77 0.09 0.00 0.00 178.44 180.16 3haz h SER 239 N 0.64 0.00 1.14 -0.43 4.64 -1.95 -1.11 113.55 116.49 3haz h SER 239 Ca 0.33 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.59 3haz h SER 239 Cb 0.44 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 3haz h SER 239 CO -0.12 0.08 -0.29 0.00 -0.87 0.00 0.00 176.83 175.63 3haz h ALA 240 N 1.92 0.93 -0.02 5.18 0.00 -1.45 0.14 119.26 125.97 3haz h ALA 240 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3haz h ALA 240 Cb 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3haz h ALA 240 CO 0.01 0.36 -0.31 1.28 0.00 0.00 0.00 179.25 180.60 3haz n LEU 241 N -3.34 2.03 -3.72 0.00 4.77 -0.43 -4.17 117.00 112.15 3haz n LEU 241 Ca 0.01 -0.71 -0.12 0.00 -0.03 0.00 0.00 56.01 55.16 3haz n LEU 241 Cb 0.52 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.48 3haz n LEU 241 CO 0.35 0.36 0.01 -2.28 -1.33 0.00 0.00 177.39 174.51 3haz s HIS 242 N -2.35 -0.47 -0.56 -1.77 2.46 -1.14 -4.87 115.29 106.58 3haz s HIS 242 Ca 0.23 1.07 0.25 0.00 0.47 0.00 0.00 55.06 57.07 3haz s HIS 242 Cb 0.19 0.17 0.59 0.00 -0.13 0.00 0.00 32.58 33.41 3haz s HIS 242 CO 0.49 -0.26 1.70 -1.00 -2.47 0.00 0.00 174.74 173.19 3haz h PRO 243 N 6.57 0.00 -2.12 2.88 0.14 -1.82 -3.29 132.00 134.36 3haz h PRO 243 Ca -0.34 0.00 -0.56 0.00 0.14 0.00 0.00 66.00 65.25 3haz h PRO 243 Cb 1.18 0.00 -0.41 0.00 0.14 0.00 0.00 31.00 31.91 3haz h PRO 243 CO 0.31 0.00 -0.89 0.54 0.14 0.00 0.00 178.00 178.10 3haz n ARG 244 N -2.70 1.88 -2.58 0.86 5.12 -1.26 -4.71 116.66 113.26 3haz n ARG 244 Ca 0.05 -4.04 -0.41 0.00 -1.93 0.00 0.00 57.85 51.52 3haz n ARG 244 Cb 0.47 -1.86 -0.03 0.00 -1.16 0.00 0.00 32.46 29.88 3haz n ARG 244 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3haz s PHE 245 N -2.43 2.52 -0.05 -1.55 2.19 -1.24 -4.71 117.98 112.71 3haz s PHE 245 Ca 0.41 -0.72 -0.30 0.00 0.33 0.00 0.00 56.93 56.65 3haz s PHE 245 Cb 0.24 -4.66 0.08 0.00 -1.31 0.00 0.00 43.02 37.37 3haz s PHE 245 CO -0.09 -1.94 0.71 -1.83 1.83 0.00 0.00 175.22 173.91 3haz s GLU 246 N 4.98 1.02 0.23 10.12 -1.05 -1.26 -5.00 118.70 127.74 3haz s GLU 246 Ca 0.43 0.21 -0.08 0.00 -0.15 0.00 0.00 54.97 55.38 3haz s GLU 246 Cb -0.02 0.48 0.37 0.00 -0.44 0.00 0.00 34.13 34.52 3haz s GLU 246 CO -0.05 -0.33 1.69 0.00 0.95 0.00 0.00 175.26 177.52 3haz h ALA 247 N 2.89 0.81 0.00 -0.84 0.00 -1.87 -1.49 119.26 118.76 3haz h ALA 247 Ca -0.26 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3haz h ALA 247 Cb 1.15 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3haz h ALA 247 CO 0.38 -0.33 0.00 -0.84 0.00 0.00 0.00 179.25 178.46 3haz h ILE 248 N 0.24 0.00 -0.60 0.00 3.07 -1.87 -1.24 117.51 117.10 3haz h ILE 248 Ca 0.36 -0.39 -0.09 0.00 1.55 0.00 0.00 64.86 66.30 3haz h ILE 248 Cb 0.59 1.33 -0.05 0.00 -0.27 0.00 0.00 36.82 38.42 3haz h ILE 248 CO -0.48 0.00 0.10 -1.20 -1.05 0.00 0.00 178.15 175.53 3haz n SER 249 N -2.93 5.18 -0.34 2.16 7.64 -0.57 -3.85 113.62 120.91 3haz n SER 249 Ca 0.00 -3.07 0.10 0.00 1.01 0.00 0.00 58.87 56.91 3haz n SER 249 Cb 0.25 -0.70 0.27 0.00 -1.01 0.00 0.00 64.21 63.03 3haz n SER 249 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3haz h ARG 250 N 3.23 0.76 0.00 1.43 2.43 -1.08 -1.66 114.38 119.50 3haz h ARG 250 Ca 0.11 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3haz h ARG 250 Cb 2.07 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 31.43 3haz h ARG 250 CO 0.56 0.50 -0.09 0.00 -1.51 0.00 0.00 179.97 179.44 3haz h ALA 251 N 1.59 -0.10 -0.07 2.80 0.00 -1.84 -1.28 119.26 120.36 3haz h ALA 251 Ca 0.52 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.30 3haz h ALA 251 Cb 0.71 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3haz h ALA 251 CO -0.34 -0.58 -0.57 0.07 0.00 0.00 0.00 179.25 177.82 3haz h ARG 252 N -0.16 0.21 -0.36 0.00 0.11 -1.84 -3.16 114.38 109.18 3haz h ARG 252 Ca 0.03 -0.14 0.01 0.00 0.10 0.00 0.00 59.98 59.99 3haz h ARG 252 Cb 0.20 0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.27 3haz h ARG 252 CO -0.09 0.72 0.22 0.28 0.10 0.00 0.00 179.97 181.21 3haz h VAL 253 N 0.16 1.06 0.00 0.08 2.07 -0.94 0.00 116.25 118.69 3haz h VAL 253 Ca -0.00 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 3haz h VAL 253 Cb 1.05 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3haz h VAL 253 CO 0.09 0.08 -0.19 0.24 0.02 0.00 0.00 177.57 177.81 3haz h MET 254 N 0.46 0.00 0.01 1.57 2.86 -1.22 0.14 114.93 118.76 3haz h MET 254 Ca 0.14 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.50 3haz h MET 254 Cb -0.02 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 3haz h MET 254 CO -0.05 0.19 -1.59 0.28 1.06 0.00 0.00 176.91 176.80 3haz h VAL 255 N 0.00 1.01 0.00 -2.22 2.07 -1.44 -3.37 116.25 112.29 3haz h VAL 255 Ca -0.00 -2.82 -0.40 0.00 0.82 0.00 0.00 66.70 64.30 3haz h VAL 255 Cb 0.37 2.52 -0.07 0.00 -1.52 0.00 0.00 31.29 32.59 3haz h VAL 255 CO 0.02 0.61 -2.46 -0.62 0.02 0.00 0.00 177.57 175.14 3haz n GLU 256 N -3.14 0.63 0.01 1.57 1.02 -0.04 -4.64 120.64 116.04 3haz n GLU 256 Ca -0.15 0.17 -0.18 0.00 -0.02 0.00 0.00 57.16 56.98 3haz n GLU 256 Cb 1.03 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.84 3haz n GLU 256 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3haz h LEU 257 N -0.19 0.56 -0.46 -4.62 5.85 -0.92 -3.33 115.31 112.20 3haz h LEU 257 Ca -0.59 -0.78 0.09 0.00 0.84 0.00 0.00 57.88 57.43 3haz h LEU 257 Cb 1.83 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 42.61 3haz h LEU 257 CO -0.15 1.27 -0.03 0.58 -0.34 0.00 0.00 178.44 179.77 3haz h VAL 258 N -0.09 0.61 -0.23 1.05 2.07 -1.72 -0.45 116.25 117.49 3haz h VAL 258 Ca -0.09 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 3haz h VAL 258 Cb 1.40 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3haz h VAL 258 CO 0.13 0.01 0.01 -0.65 0.02 0.00 0.00 177.57 177.09 3haz h PRO 259 N 0.08 0.34 0.05 1.57 0.11 -1.82 0.12 132.00 132.44 3haz h PRO 259 Ca 0.23 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 3haz h PRO 259 Cb 0.34 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.39 3haz h PRO 259 CO -0.41 0.36 -0.02 1.96 -0.21 0.00 0.00 178.00 179.68 3haz h GLN 260 N 0.33 -0.06 -0.37 1.05 1.08 -1.27 -1.10 115.11 114.78 3haz h GLN 260 Ca 0.08 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.23 3haz h GLN 260 Cb 0.21 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 3haz h GLN 260 CO 0.00 0.19 0.02 1.25 -0.95 0.00 0.00 178.83 179.34 3haz h LEU 261 N -0.31 0.53 -0.27 1.46 5.85 -0.79 -2.28 115.31 119.50 3haz h LEU 261 Ca -0.01 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 3haz h LEU 261 Cb 0.28 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3haz h LEU 261 CO 0.01 0.59 0.08 0.25 -0.34 0.00 0.00 178.44 179.03 3haz h LEU 262 N 0.54 0.40 -0.48 2.25 5.85 -0.66 -1.01 115.31 122.20 3haz h LEU 262 Ca 0.12 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.69 3haz h LEU 262 Cb 0.32 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3haz h LEU 262 CO 0.01 0.50 0.18 -0.78 -0.34 0.00 0.00 178.44 178.01 3haz h ASP 263 N 0.27 0.20 -0.55 1.25 1.82 -0.83 -0.00 116.42 118.58 3haz h ASP 263 Ca 0.09 0.05 -0.06 0.00 -0.39 0.00 0.00 57.03 56.72 3haz h ASP 263 Cb 0.25 0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.26 3haz h ASP 263 CO -0.00 0.15 0.13 -0.07 -1.61 0.00 0.00 179.24 177.83 3haz h LEU 264 N 0.36 0.85 -0.88 2.28 3.38 -1.31 -2.05 115.31 117.93 3haz h LEU 264 Ca 0.22 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3haz h LEU 264 Cb 0.22 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3haz h LEU 264 CO -0.22 0.86 0.52 0.00 0.09 0.00 0.00 178.44 179.70 3haz h ALA 265 N 1.01 1.12 -0.83 1.53 0.00 -0.67 -1.37 119.26 120.05 3haz h ALA 265 Ca 0.17 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3haz h ALA 265 Cb 0.35 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3haz h ALA 265 CO 0.00 0.59 0.37 1.96 0.00 0.00 0.00 179.25 182.17 3haz h GLN 266 N 1.21 1.22 -0.42 0.00 4.20 -0.82 0.23 115.11 120.73 3haz h GLN 266 Ca 0.31 -0.20 -0.10 0.00 0.06 0.00 0.00 58.65 58.73 3haz h GLN 266 Cb -0.04 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 3haz h GLN 266 CO -0.06 0.96 -0.14 0.00 -0.67 0.00 0.00 178.83 178.92 3haz h ARG 267 N 1.19 0.76 -0.28 1.46 3.08 -0.90 -1.29 114.38 118.41 3haz h ARG 267 Ca 0.28 -0.26 -0.11 0.00 0.07 0.00 0.00 59.98 59.96 3haz h ARG 267 Cb 0.17 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 3haz h ARG 267 CO -0.03 0.86 -0.25 0.00 -1.07 0.00 0.00 179.97 179.48 3haz h ALA 268 N 1.16 0.41 -0.74 0.04 0.00 -0.86 -3.14 119.26 116.12 3haz h ALA 268 Ca 0.11 -0.38 0.07 0.00 0.00 0.00 0.00 54.91 54.71 3haz h ALA 268 Cb 0.62 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 3haz h ALA 268 CO 0.04 0.39 0.42 -0.22 0.00 0.00 0.00 179.25 179.89 3haz h LYS 269 N 0.40 0.74 -0.01 0.00 3.64 -0.30 -1.02 116.57 120.03 3haz h LYS 269 Ca 0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3haz h LYS 269 Cb 0.81 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3haz h LYS 269 CO 0.06 0.49 0.01 0.00 -2.27 0.00 0.00 179.45 177.75 3haz h ALA 270 N 1.39 1.45 -0.49 5.00 0.00 -1.19 0.48 119.26 125.90 3haz h ALA 270 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3haz h ALA 270 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3haz h ALA 270 CO -0.20 -0.02 0.00 0.72 0.00 0.00 0.00 179.25 179.75 3haz n HIS 271 N -3.71 0.64 -3.76 0.00 8.25 -0.64 -4.98 115.22 111.02 3haz n HIS 271 Ca -0.03 -0.40 -0.23 0.00 -0.26 0.00 0.00 57.72 56.81 3haz n HIS 271 Cb 0.09 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.22 3haz n HIS 271 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3haz n ASP 272 N 1.24 -1.12 -4.96 0.41 2.03 0.17 -4.98 116.55 109.34 3haz n ASP 272 Ca 0.18 -0.87 -0.22 0.00 0.52 0.00 0.00 54.79 54.40 3haz n ASP 272 Cb 0.54 -3.79 -0.01 0.00 -0.72 0.00 0.00 41.12 37.15 3haz n ASP 272 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3haz s LEU 273 N -6.73 3.98 -0.03 -2.67 1.43 -0.50 -4.78 118.68 109.38 3haz s LEU 273 Ca 0.02 0.24 -0.30 0.00 -1.03 0.00 0.00 54.13 53.06 3haz s LEU 273 Cb -0.01 -3.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.08 3haz s LEU 273 CO 0.83 -0.37 1.10 0.21 0.23 0.00 0.00 176.35 178.35 3haz s ASN 274 N -4.09 7.19 -0.24 2.29 3.04 -0.95 -4.25 114.94 117.92 3haz s ASN 274 Ca 0.42 1.75 0.01 0.00 0.04 0.00 0.00 52.86 55.08 3haz s ASN 274 Cb -0.10 -2.57 0.06 0.00 -1.54 0.00 0.00 41.25 37.11 3haz s ASN 274 CO 0.34 -0.44 -0.05 0.12 -3.04 0.00 0.00 177.10 174.03 3haz s PHE 275 N 1.60 2.48 -0.17 0.43 5.36 0.77 -1.51 117.98 126.94 3haz s PHE 275 Ca 0.54 -1.83 -0.00 0.00 -0.96 0.00 0.00 56.93 54.68 3haz s PHE 275 Cb -0.23 -1.64 0.00 0.00 -0.34 0.00 0.00 43.02 40.81 3haz s PHE 275 CO 0.24 -0.79 -0.14 0.99 -1.46 0.00 0.00 175.22 174.06 3haz s THR 276 N 1.37 2.70 -0.37 0.12 2.01 -0.57 -0.93 115.64 119.97 3haz s THR 276 Ca -0.06 -0.75 -0.26 0.00 0.31 0.00 0.00 61.69 60.94 3haz s THR 276 Cb -0.19 -2.16 0.01 0.00 0.01 0.00 0.00 72.50 70.18 3haz s THR 276 CO -0.06 0.50 0.91 -0.69 -0.69 0.00 0.00 174.62 174.59 3haz s VAL 277 N 1.00 4.61 0.80 3.82 1.01 -0.50 -0.88 120.40 130.27 3haz s VAL 277 Ca -0.02 1.17 -0.12 0.00 0.00 0.00 0.00 61.98 63.01 3haz s VAL 277 Cb -0.15 -4.32 0.08 0.00 0.00 0.00 0.00 36.38 32.00 3haz s VAL 277 CO -0.03 -0.52 1.16 -1.81 0.00 0.00 0.00 175.10 173.90 3haz s ASP 278 N 1.86 3.84 -0.15 3.32 1.01 1.00 -1.24 116.67 126.30 3haz s ASP 278 Ca 0.37 2.17 -0.08 0.00 0.71 0.00 0.00 52.55 55.73 3haz s ASP 278 Cb -0.12 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 3haz s ASP 278 CO 0.18 -2.49 0.12 0.00 0.21 0.00 0.00 175.17 173.19 3haz s ALA 279 N -2.42 3.73 0.00 5.23 0.00 -1.26 -4.73 121.76 122.31 3haz s ALA 279 Ca 0.69 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.97 3haz s ALA 279 Cb -0.24 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 20.87 3haz s ALA 279 CO 0.52 0.41 0.00 0.39 0.00 0.00 0.00 175.76 177.07 3haz n GLU 280 N 2.70 3.04 -1.50 0.00 1.02 -1.26 -4.94 120.64 119.70 3haz n GLU 280 Ca -0.18 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.63 3haz n GLU 280 Cb 0.54 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 32.03 3haz n GLU 280 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3haz s GLU 281 N 4.88 2.37 0.42 3.49 8.01 -1.26 -4.90 118.70 131.71 3haz s GLU 281 Ca 0.00 1.49 0.08 0.00 0.01 0.00 0.00 54.97 56.56 3haz s GLU 281 Cb 0.00 -1.89 0.91 0.00 -4.31 0.00 0.00 34.13 28.84 3haz s GLU 281 CO 0.00 -1.60 2.06 0.00 0.01 0.00 0.00 175.26 175.73 3haz h ALA 282 N -0.38 1.73 0.00 5.21 0.00 -1.99 -1.33 119.26 122.50 3haz h ALA 282 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3haz h ALA 282 Cb 1.26 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3haz h ALA 282 CO 0.51 0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.60 3haz n ASP 283 N -4.47 0.00 -0.58 0.00 5.68 -1.26 -2.20 116.55 113.72 3haz n ASP 283 Ca 0.02 0.12 0.09 0.00 -0.50 0.00 0.00 54.79 54.52 3haz n ASP 283 Cb 0.08 -0.34 0.04 0.00 -1.14 0.00 0.00 41.12 39.76 3haz n ASP 283 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3haz n ARG 284 N -1.34 1.54 0.20 0.11 1.74 -0.51 -4.43 116.66 113.96 3haz n ARG 284 Ca 0.09 -1.27 -0.15 0.00 -0.77 0.00 0.00 57.85 55.75 3haz n ARG 284 Cb 0.19 -1.32 -0.07 0.00 -1.02 0.00 0.00 32.46 30.24 3haz n ARG 284 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3haz h LEU 285 N 2.85 -0.91 -0.55 0.55 5.85 -1.37 0.10 115.31 121.83 3haz h LEU 285 Ca 0.00 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.82 3haz h LEU 285 Cb 0.68 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 3haz h LEU 285 CO 0.00 -0.46 0.35 -0.33 -0.34 0.00 0.00 178.44 177.66 3haz h GLU 286 N -0.67 0.68 -0.62 1.25 5.08 -1.81 -1.52 114.58 116.98 3haz h GLU 286 Ca -0.01 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3haz h GLU 286 Cb 0.62 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 3haz h GLU 286 CO -0.09 0.45 0.18 1.25 -1.00 0.00 0.00 179.01 179.80 3haz h LEU 287 N 0.70 0.92 -0.64 1.33 5.85 -1.82 -1.89 115.31 119.76 3haz h LEU 287 Ca 0.21 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3haz h LEU 287 Cb -0.03 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3haz h LEU 287 CO -0.07 0.89 0.31 0.77 -0.34 0.00 0.00 178.44 180.00 3haz h SER 288 N 0.89 0.83 -0.29 1.25 4.64 -0.55 -1.33 113.55 118.99 3haz h SER 288 Ca 0.20 -0.13 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 3haz h SER 288 Cb 0.32 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 3haz h SER 288 CO -0.00 0.72 -0.00 -0.07 -0.87 0.00 0.00 176.83 176.61 3haz h LEU 289 N 0.87 0.59 -0.23 5.97 3.38 -1.09 0.16 115.31 124.96 3haz h LEU 289 Ca 0.22 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3haz h LEU 289 Cb 0.11 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3haz h LEU 289 CO -0.03 0.66 0.12 0.44 0.09 0.00 0.00 178.44 179.72 3haz h ASP 290 N 0.59 0.29 -0.27 -0.43 3.32 -0.79 -0.34 116.42 118.79 3haz h ASP 290 Ca 0.12 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3haz h ASP 290 Cb 0.38 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3haz h ASP 290 CO 0.01 0.32 0.06 0.58 -1.72 0.00 0.00 179.24 178.49 3haz h VAL 291 N 0.25 1.22 -0.87 -1.35 2.07 -0.90 -2.38 116.25 114.29 3haz h VAL 291 Ca 0.08 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 3haz h VAL 291 Cb 0.10 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3haz h VAL 291 CO -0.01 0.23 0.43 0.40 0.02 0.00 0.00 177.57 178.65 3haz h ILE 292 N 0.26 1.26 -0.39 4.57 2.04 -0.61 -1.35 117.51 123.29 3haz h ILE 292 Ca 0.08 -0.70 -0.08 0.00 1.00 0.00 0.00 64.86 65.16 3haz h ILE 292 Cb 0.30 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3haz h ILE 292 CO 0.00 0.31 -0.07 0.00 0.00 0.00 0.00 178.15 178.39 3haz h ALA 293 N 1.24 0.54 -0.33 1.87 0.00 -0.98 -0.33 119.26 121.26 3haz h ALA 293 Ca 0.30 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3haz h ALA 293 Cb 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3haz h ALA 293 CO -0.04 0.38 -0.24 0.00 0.00 0.00 0.00 179.25 179.35 3haz h ALA 294 N 0.85 0.97 -0.05 0.00 0.00 -1.21 -1.79 119.26 118.03 3haz h ALA 294 Ca 0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3haz h ALA 294 Cb 0.58 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3haz h ALA 294 CO 0.03 0.60 0.00 1.15 0.00 0.00 0.00 179.25 181.04 3haz h THR 295 N 0.56 1.24 0.00 0.00 2.02 -1.13 -3.11 112.91 112.50 3haz h THR 295 Ca 0.08 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 3haz h THR 295 Cb 0.71 1.62 -0.00 0.00 -1.74 0.00 0.00 68.15 68.74 3haz h THR 295 CO 0.05 0.20 -0.10 0.25 0.37 0.00 0.00 175.52 176.29 3haz h LEU 296 N -0.19 0.00 -1.64 2.58 5.85 -0.89 -2.21 115.31 118.82 3haz h LEU 296 Ca 0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3haz h LEU 296 Cb 0.31 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 3haz h LEU 296 CO 0.00 0.10 -0.03 0.00 -0.34 0.00 0.00 178.44 178.18 3haz h ALA 297 N 1.90 1.02 -2.48 1.25 0.00 -1.25 -3.45 119.26 116.25 3haz h ALA 297 Ca -0.00 -0.03 -0.53 0.00 0.00 0.00 0.00 54.91 54.35 3haz h ALA 297 Cb 0.20 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.01 3haz h ALA 297 CO 0.01 0.03 1.04 0.34 0.00 0.00 0.00 179.25 180.67 3haz s ASP 298 N -5.70 6.53 0.61 0.00 -1.08 -0.83 -4.85 116.67 111.34 3haz s ASP 298 Ca 0.00 2.61 0.30 0.00 -0.52 0.00 0.00 52.55 54.93 3haz s ASP 298 Cb 0.10 -2.57 1.60 0.00 -1.46 0.00 0.00 42.92 40.59 3haz s ASP 298 CO 0.54 -0.93 1.98 -0.65 0.52 0.00 0.00 175.17 176.63 3haz h PRO 299 N 8.32 0.00 0.00 4.34 0.11 -1.90 -1.06 132.00 141.81 3haz h PRO 299 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3haz h PRO 299 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3haz h PRO 299 CO 0.94 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.60 3haz n SER 300 N -3.52 0.52 -0.92 -2.05 3.41 -1.26 -2.03 113.62 107.77 3haz n SER 300 Ca 0.03 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.44 3haz n SER 300 Cb 0.47 -0.77 0.24 0.00 -0.26 0.00 0.00 64.21 63.89 3haz n SER 300 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3haz n LEU 301 N -2.13 2.80 -4.73 1.04 4.77 -0.40 -4.95 117.00 113.40 3haz n LEU 301 Ca 0.01 -1.09 -0.36 0.00 -0.03 0.00 0.00 56.01 54.54 3haz n LEU 301 Cb 0.13 -0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.18 3haz n LEU 301 CO 0.14 0.55 0.85 -0.54 -1.33 0.00 0.00 177.39 177.06 3haz s LYS 302 N -1.77 2.45 -0.78 3.23 1.02 -0.86 -3.64 119.74 119.40 3haz s LYS 302 Ca 0.34 1.91 0.00 0.00 0.02 0.00 0.00 55.97 58.24 3haz s LYS 302 Cb 0.21 -1.85 0.00 0.00 -0.52 0.00 0.00 37.83 35.67 3haz s LYS 302 CO 0.30 -1.63 0.00 0.41 -0.92 0.00 0.00 175.35 173.51 3haz n GLY 303 N 0.65 0.03 3.07 -3.33 0.00 -1.26 -5.02 105.19 99.33 3haz n GLY 303 Ca 0.15 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 3haz n GLY 303 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3haz s TRP 304 N -2.45 -0.35 -1.05 1.61 -0.00 -1.24 -5.06 118.94 110.41 3haz s TRP 304 Ca 0.00 0.82 0.16 0.00 -0.00 0.00 0.00 56.10 57.08 3haz s TRP 304 Cb 0.00 0.06 0.53 0.00 -0.00 0.00 0.00 33.47 34.06 3haz s TRP 304 CO 0.00 -0.24 1.45 -0.25 -0.00 0.00 0.00 176.95 177.91 3haz n ASP 305 N 4.23 3.83 0.00 5.86 8.00 -1.26 -4.58 116.55 132.63 3haz n ASP 305 Ca -0.25 -2.30 0.11 0.00 0.71 0.00 0.00 54.79 53.06 3haz n ASP 305 Cb 0.53 -0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 41.18 3haz n ASP 305 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3haz n GLY 306 N 0.74 -1.09 3.77 0.44 0.00 -1.26 -4.15 105.19 103.63 3haz n GLY 306 Ca 0.20 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 3haz n GLY 306 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3haz s PHE 307 N -3.08 3.00 -0.00 1.61 5.36 -1.26 -0.16 117.98 123.44 3haz s PHE 307 Ca 0.07 1.55 -0.14 0.00 -0.96 0.00 0.00 56.93 57.45 3haz s PHE 307 Cb 0.16 -3.37 0.04 0.00 -0.34 0.00 0.00 43.02 39.51 3haz s PHE 307 CO 0.82 -1.36 0.62 0.41 -1.46 0.00 0.00 175.22 174.25 3haz n GLY 308 N 0.53 0.47 3.39 13.12 0.00 -0.10 -1.73 105.19 120.87 3haz n GLY 308 Ca 0.06 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 45.03 3haz n GLY 308 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3haz s LEU 309 N 0.00 0.28 0.11 0.99 2.34 -1.19 -1.40 118.68 119.81 3haz s LEU 309 Ca 0.14 -0.40 -0.08 0.00 0.06 0.00 0.00 54.13 53.85 3haz s LEU 309 Cb -0.00 1.93 -0.06 0.00 -0.56 0.00 0.00 46.19 47.50 3haz s LEU 309 CO -0.00 -0.93 0.41 0.00 -1.06 0.00 0.00 176.35 174.77 3haz s ALA 310 N -3.84 3.73 -0.07 1.48 0.00 -0.37 -1.28 121.76 121.41 3haz s ALA 310 Ca 0.06 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.62 3haz s ALA 310 Cb 0.01 -2.25 0.02 0.00 0.00 0.00 0.00 23.12 20.90 3haz s ALA 310 CO -0.08 0.59 -0.10 0.42 0.00 0.00 0.00 175.76 176.58 3haz s ILE 311 N -1.51 1.04 -0.38 0.00 1.01 0.36 -4.35 121.20 117.36 3haz s ILE 311 Ca 0.37 -0.40 -0.19 0.00 0.00 0.00 0.00 60.65 60.43 3haz s ILE 311 Cb -0.13 -0.98 0.01 0.00 0.01 0.00 0.00 42.46 41.37 3haz s ILE 311 CO 0.20 0.34 0.56 -1.10 0.00 0.00 0.00 174.94 174.94 3haz s GLN 312 N 0.90 3.47 0.28 2.79 -0.21 -1.26 -1.67 119.66 123.95 3haz s GLN 312 Ca -0.10 -0.26 0.25 0.00 0.02 0.00 0.00 55.36 55.26 3haz s GLN 312 Cb -0.15 -3.87 1.00 0.00 1.00 0.00 0.00 33.01 30.99 3haz s GLN 312 CO 0.01 -0.78 1.74 0.00 -2.12 0.00 0.00 175.29 174.14 3haz h ALA 313 N 8.61 1.00 0.00 6.09 0.00 -0.13 -2.54 119.26 132.29 3haz h ALA 313 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3haz h ALA 313 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3haz h ALA 313 CO 0.82 0.00 0.00 2.48 0.00 0.00 0.00 179.25 182.55 3haz n TYR 314 N -2.32 0.00 -3.40 0.00 4.11 -0.03 -4.57 117.16 110.95 3haz n TYR 314 Ca 0.02 0.00 -0.38 0.00 -0.00 0.00 0.00 57.90 57.54 3haz n TYR 314 Cb 0.25 -0.35 -0.06 0.00 -0.00 0.00 0.00 39.34 39.18 3haz n TYR 314 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 3haz s GLN 315 N -2.70 4.08 0.55 -3.48 -0.21 -0.96 -1.27 119.66 115.67 3haz s GLN 315 Ca 0.17 0.51 0.25 0.00 0.02 0.00 0.00 55.36 56.32 3haz s GLN 315 Cb 0.14 -3.27 1.56 0.00 1.00 0.00 0.00 33.01 32.44 3haz s GLN 315 CO 0.34 0.58 2.16 0.87 -2.12 0.00 0.00 175.29 177.12 3haz h LYS 316 N 5.04 0.00 0.00 2.91 1.57 -1.52 -1.86 116.57 122.71 3haz h LYS 316 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3haz h LYS 316 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3haz h LYS 316 CO 0.65 0.05 0.00 0.54 -0.57 0.00 0.00 179.45 180.12 3haz n ARG 317 N -3.94 0.76 -0.14 3.15 1.74 -1.26 -4.35 116.66 112.61 3haz n ARG 317 Ca -0.03 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.02 3haz n ARG 317 Cb 0.14 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.13 3haz n ARG 317 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3haz h ALA 318 N 3.72 0.46 -0.52 7.54 0.00 -1.56 -1.36 119.26 127.54 3haz h ALA 318 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3haz h ALA 318 Cb 0.11 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3haz h ALA 318 CO 0.00 -0.34 0.21 1.03 0.00 0.00 0.00 179.25 180.15 3haz h SER 319 N 0.18 0.67 0.22 0.00 0.87 -1.83 -2.07 113.55 111.59 3haz h SER 319 Ca 0.22 -0.08 -0.14 0.00 -1.23 0.00 0.00 61.79 60.56 3haz h SER 319 Cb 0.30 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 3haz h SER 319 CO -0.31 0.61 -0.55 0.00 -0.53 0.00 0.00 176.83 176.04 3haz h ALA 320 N 1.50 0.84 -0.86 6.23 0.00 -1.61 -2.39 119.26 122.96 3haz h ALA 320 Ca 0.18 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3haz h ALA 320 Cb 0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3haz h ALA 320 CO -0.02 0.69 0.44 0.28 0.00 0.00 0.00 179.25 180.64 3haz h VAL 321 N 0.27 1.26 -0.57 0.00 2.07 -0.64 -1.28 116.25 117.36 3haz h VAL 321 Ca 0.00 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 3haz h VAL 321 Cb 1.06 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3haz h VAL 321 CO 0.09 0.30 0.24 0.40 0.02 0.00 0.00 177.57 178.63 3haz h ILE 322 N 1.22 1.22 -0.65 4.57 2.04 -1.16 0.12 117.51 124.87 3haz h ILE 322 Ca 0.30 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.55 3haz h ILE 322 Cb 0.08 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 3haz h ILE 322 CO -0.04 0.26 0.39 0.44 0.00 0.00 0.00 178.15 179.19 3haz h ASP 323 N 0.77 0.61 -0.40 1.72 3.32 -1.12 -0.84 116.42 120.49 3haz h ASP 323 Ca 0.19 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 3haz h ASP 323 Cb 0.17 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3haz h ASP 323 CO -0.02 0.41 0.07 0.22 -1.72 0.00 0.00 179.24 178.21 3haz h TYR 324 N 0.74 0.69 -0.65 4.55 3.20 -0.70 -1.62 116.97 123.19 3haz h TYR 324 Ca 0.27 -0.09 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 3haz h TYR 324 Cb 0.08 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 3haz h TYR 324 CO -0.06 0.68 0.16 0.28 -1.64 0.00 0.00 178.16 177.58 3haz h VAL 325 N 0.51 1.26 -0.38 1.81 2.07 -0.53 -0.68 116.25 120.31 3haz h VAL 325 Ca 0.12 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 3haz h VAL 325 Cb 0.35 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3haz h VAL 325 CO 0.01 0.35 0.15 -0.78 0.02 0.00 0.00 177.57 177.32 3haz h ASP 326 N 0.96 0.52 -0.76 0.57 3.58 -1.02 -0.55 116.42 119.72 3haz h ASP 326 Ca 0.20 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 3haz h ASP 326 Cb 0.35 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.23 3haz h ASP 326 CO 0.00 0.55 0.42 0.00 -2.88 0.00 0.00 179.24 177.33 3haz h ALA 327 N 1.00 1.29 -0.33 -0.78 0.00 -1.10 -0.25 119.26 119.10 3haz h ALA 327 Ca 0.13 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3haz h ALA 327 Cb 0.18 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3haz h ALA 327 CO -0.01 0.58 0.21 1.25 0.00 0.00 0.00 179.25 181.27 3haz h LEU 328 N 1.07 0.36 -0.40 0.00 5.85 -0.80 0.40 115.31 121.80 3haz h LEU 328 Ca 0.27 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 3haz h LEU 328 Cb 0.02 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3haz h LEU 328 CO -0.04 0.26 0.18 0.00 -0.34 0.00 0.00 178.44 178.49 3haz h ALA 329 N 1.13 0.52 -0.50 1.25 0.00 -0.28 -2.28 119.26 119.09 3haz h ALA 329 Ca 0.12 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3haz h ALA 329 Cb -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3haz h ALA 329 CO -0.04 0.10 -0.10 0.00 0.00 0.00 0.00 179.25 179.21 3haz h ARG 330 N 0.51 0.95 -0.35 0.00 3.08 -0.91 0.88 114.38 118.54 3haz h ARG 330 Ca 0.14 -0.36 -0.05 0.00 0.07 0.00 0.00 59.98 59.78 3haz h ARG 330 Cb 0.15 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3haz h ARG 330 CO -0.01 1.02 -0.00 0.00 -1.07 0.00 0.00 179.97 179.91 3haz h ALA 331 N 0.90 1.36 -0.43 0.04 0.00 -0.73 -2.13 119.26 118.26 3haz h ALA 331 Ca 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3haz h ALA 331 Cb 0.66 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3haz h ALA 331 CO 0.05 0.45 0.00 0.72 0.00 0.00 0.00 179.25 180.46 3haz n HIS 332 N -4.28 0.56 -3.86 0.00 8.25 -0.88 -3.57 115.22 111.45 3haz n HIS 332 Ca 0.02 -0.33 -0.36 0.00 -0.26 0.00 0.00 57.72 56.79 3haz n HIS 332 Cb 0.25 -0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.38 3haz n HIS 332 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3haz n ASP 333 N 1.31 -4.27 -4.45 0.41 2.03 -0.19 -4.99 116.55 106.41 3haz n ASP 333 Ca 0.18 -1.12 -0.25 0.00 0.52 0.00 0.00 54.79 54.11 3haz n ASP 333 Cb 0.56 -2.70 -0.11 0.00 -0.72 0.00 0.00 41.12 38.15 3haz n ASP 333 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3haz s ARG 334 N -6.58 1.61 -0.10 -0.67 1.81 0.13 -4.96 118.95 110.18 3haz s ARG 334 Ca 0.43 -1.65 -0.11 0.00 -1.72 0.00 0.00 55.73 52.68 3haz s ARG 334 Cb -0.19 -1.81 -0.05 0.00 -0.45 0.00 0.00 34.95 32.46 3haz s ARG 334 CO 0.91 0.36 0.24 0.15 -0.68 0.00 0.00 175.30 176.28 3haz s LYS 335 N -3.11 3.80 0.08 3.54 1.02 -1.26 -4.63 119.74 119.19 3haz s LYS 335 Ca 0.26 0.05 0.08 0.00 0.02 0.00 0.00 55.97 56.37 3haz s LYS 335 Cb -0.06 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 33.95 3haz s LYS 335 CO 0.13 0.60 -0.20 -0.51 -0.92 0.00 0.00 175.35 174.44 3haz s LEU 336 N -0.61 2.25 -0.25 3.17 1.43 -0.88 -4.53 118.68 119.28 3haz s LEU 336 Ca 0.17 -0.62 -0.08 0.00 -1.03 0.00 0.00 54.13 52.56 3haz s LEU 336 Cb -0.13 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 3haz s LEU 336 CO 0.06 0.08 0.10 -0.04 0.23 0.00 0.00 176.35 176.78 3haz s MET 337 N -1.65 3.79 -0.18 1.70 -1.94 -0.71 -0.43 119.30 119.88 3haz s MET 337 Ca 0.06 -0.41 0.01 0.00 -1.71 0.00 0.00 55.69 53.64 3haz s MET 337 Cb -0.10 -3.41 0.02 0.00 2.01 0.00 0.00 34.83 33.36 3haz s MET 337 CO 0.03 -0.11 -0.17 0.08 -0.01 0.00 0.00 175.02 174.83 3haz s VAL 338 N 1.46 1.93 -0.21 -6.03 1.01 -0.31 -3.19 120.40 115.06 3haz s VAL 338 Ca 0.06 -0.92 -0.20 0.00 0.00 0.00 0.00 61.98 60.92 3haz s VAL 338 Cb -0.15 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 3haz s VAL 338 CO 0.05 0.46 0.58 -0.60 0.00 0.00 0.00 175.10 175.59 3haz s ARG 339 N 1.33 4.18 -0.24 2.72 3.52 -0.40 -0.49 118.95 129.58 3haz s ARG 339 Ca 0.04 0.51 -0.10 0.00 -0.13 0.00 0.00 55.73 56.04 3haz s ARG 339 Cb -0.14 -3.58 -0.05 0.00 -1.56 0.00 0.00 34.95 29.62 3haz s ARG 339 CO -0.12 -0.23 0.15 -1.17 -0.81 0.00 0.00 175.30 173.13 3haz s LEU 340 N 1.88 4.07 0.27 -0.88 2.96 0.70 -0.49 118.68 127.19 3haz s LEU 340 Ca 0.26 0.10 0.04 0.00 -0.22 0.00 0.00 54.13 54.31 3haz s LEU 340 Cb -0.16 -2.09 -0.06 0.00 0.50 0.00 0.00 46.19 44.39 3haz s LEU 340 CO 0.10 0.07 0.01 0.68 -1.32 0.00 0.00 176.35 175.89 3haz s VAL 341 N 1.04 1.13 -0.07 1.68 -7.23 -0.67 -1.77 120.40 114.51 3haz s VAL 341 Ca 0.07 -2.04 -0.01 0.00 -1.81 0.00 0.00 61.98 58.19 3haz s VAL 341 Cb -0.14 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.29 3haz s VAL 341 CO 0.04 -0.21 0.07 0.11 -0.31 0.00 0.00 175.10 174.81 3haz h LYS 342 N 2.34 -0.05 0.00 4.82 1.57 -1.84 0.29 116.57 123.69 3haz h LYS 342 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3haz h LYS 342 Cb 1.23 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3haz h LYS 342 CO 0.66 -0.03 0.00 0.41 -0.57 0.00 0.00 179.45 179.92 3haz n GLY 343 N 1.67 4.20 0.94 3.86 0.00 -1.26 -0.85 105.19 113.75 3haz n GLY 343 Ca -0.01 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.68 3haz n GLY 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3haz n ALA 344 N -1.02 2.46 -1.63 4.61 0.00 -1.26 -4.51 120.51 119.17 3haz n ALA 344 Ca 0.00 -0.68 0.06 0.00 0.00 0.00 0.00 53.44 52.82 3haz n ALA 344 Cb 0.00 -0.82 0.15 0.00 0.00 0.00 0.00 19.45 18.78 3haz n ALA 344 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3haz n TYR 345 N 1.31 0.00 0.07 0.00 4.02 -1.26 -4.89 117.16 116.41 3haz n TYR 345 Ca 0.14 -1.14 -0.12 0.00 -0.01 0.00 0.00 57.90 56.77 3haz n TYR 345 Cb 0.59 -0.20 -0.05 0.00 -0.02 0.00 0.00 39.34 39.66 3haz n TYR 345 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 176.86 178.20 3haz h TRP 346 N 0.70 -0.60 -0.67 -0.72 7.01 -2.00 -0.80 115.95 118.87 3haz h TRP 346 Ca -0.03 0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.03 3haz h TRP 346 Cb 1.15 0.26 -0.04 0.00 -2.10 0.00 0.00 29.16 28.43 3haz h TRP 346 CO 0.45 -0.32 0.44 -0.44 -2.79 0.00 0.00 178.44 175.79 3haz h ASP 347 N -0.37 0.65 -0.47 2.65 3.32 -1.97 -1.35 116.42 118.88 3haz h ASP 347 Ca 0.05 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 3haz h ASP 347 Cb 0.44 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3haz h ASP 347 CO -0.18 0.43 0.05 0.74 -1.72 0.00 0.00 179.24 178.56 3haz h THR 348 N 0.74 1.25 -0.63 0.35 2.02 -1.67 -2.02 112.91 112.96 3haz h THR 348 Ca 0.28 -0.96 -0.05 0.00 0.77 0.00 0.00 66.41 66.45 3haz h THR 348 Cb 0.16 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 3haz h THR 348 CO -0.08 0.34 0.19 -0.33 0.37 0.00 0.00 175.52 176.01 3haz h GLU 349 N 0.65 0.95 0.01 6.66 4.39 -0.11 -0.31 114.58 126.82 3haz h GLU 349 Ca 0.14 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 3haz h GLU 349 Cb 0.43 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3haz h GLU 349 CO 0.01 0.82 -0.01 0.82 -1.16 0.00 0.00 179.01 179.50 3haz h ILE 350 N 0.92 1.17 -0.24 3.13 1.08 -1.20 -2.17 117.51 120.19 3haz h ILE 350 Ca 0.21 -0.54 -0.00 0.00 -0.39 0.00 0.00 64.86 64.14 3haz h ILE 350 Cb 0.27 1.53 -0.01 0.00 -3.07 0.00 0.00 36.82 35.53 3haz h ILE 350 CO -0.01 0.14 0.15 0.50 -0.69 0.00 0.00 178.15 178.24 3haz h LYS 351 N -0.24 0.32 -0.43 2.37 3.64 -1.13 -2.35 116.57 118.75 3haz h LYS 351 Ca -0.00 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3haz h LYS 351 Cb 0.24 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3haz h LYS 351 CO 0.00 0.25 0.28 0.00 -2.27 0.00 0.00 179.45 177.71 3haz h ARG 352 N 0.30 0.54 -0.43 1.90 3.08 -1.04 0.19 114.38 118.92 3haz h ARG 352 Ca 0.09 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 3haz h ARG 352 Cb 0.01 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 3haz h ARG 352 CO -0.02 0.36 0.01 0.00 -1.07 0.00 0.00 179.97 179.26 3haz h ALA 353 N 1.17 1.21 -0.02 0.04 0.00 -1.23 0.14 119.26 120.58 3haz h ALA 353 Ca 0.16 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3haz h ALA 353 Cb -0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3haz h ALA 353 CO -0.05 0.52 -0.00 1.96 0.00 0.00 0.00 179.25 181.68 3haz h GLN 354 N 0.66 0.03 -1.00 0.00 4.20 -0.99 -1.48 115.11 116.52 3haz h GLN 354 Ca 0.13 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.88 3haz h GLN 354 Cb 0.39 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.11 3haz h GLN 354 CO 0.01 0.36 0.65 0.93 -0.67 0.00 0.00 178.83 180.11 3haz h GLU 355 N -0.30 1.19 -0.05 1.46 5.08 -0.64 -2.43 114.58 118.89 3haz h GLU 355 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3haz h GLU 355 Cb 0.34 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3haz h GLU 355 CO 0.00 0.79 0.00 0.54 -1.00 0.00 0.00 179.01 179.34 3haz n ARG 356 N -4.46 1.53 -3.80 2.33 1.74 0.46 -4.93 116.66 109.52 3haz n ARG 356 Ca 0.14 -0.78 -0.24 0.00 -0.77 0.00 0.00 57.85 56.20 3haz n ARG 356 Cb 0.13 -1.44 0.02 0.00 -1.02 0.00 0.00 32.46 30.15 3haz n ARG 356 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3haz n GLY 357 N 1.11 -0.34 3.83 -0.13 0.00 -0.76 -3.31 105.19 105.59 3haz n GLY 357 Ca 0.19 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 3haz n GLY 357 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3haz s LEU 358 N -6.89 2.65 0.00 0.99 1.43 -0.63 -0.66 118.68 115.57 3haz s LEU 358 Ca 0.19 1.21 0.19 0.00 -1.03 0.00 0.00 54.13 54.69 3haz s LEU 358 Cb -0.10 -3.86 1.09 0.00 0.03 0.00 0.00 46.19 43.36 3haz s LEU 358 CO 0.83 -1.82 1.71 -0.90 0.23 0.00 0.00 176.35 176.40 3haz n ASP 359 N -3.32 0.08 0.00 2.29 5.68 -1.26 -4.28 116.55 115.74 3haz n ASP 359 Ca 0.07 -1.43 0.00 0.00 -0.50 0.00 0.00 54.79 52.93 3haz n ASP 359 Cb 0.57 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 3haz n ASP 359 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3haz n GLY 360 N 0.81 -1.81 3.74 6.12 0.00 -1.26 -4.93 105.19 107.86 3haz n GLY 360 Ca 0.14 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 3haz n GLY 360 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3haz s TYR 361 N -2.43 3.35 -0.82 1.61 1.51 -1.26 -4.89 117.35 114.41 3haz s TYR 361 Ca 0.00 0.28 0.24 0.00 -1.01 0.00 0.00 57.07 56.59 3haz s TYR 361 Cb 0.00 -1.94 0.94 0.00 -0.11 0.00 0.00 41.96 40.86 3haz s TYR 361 CO 0.00 0.47 1.75 -0.35 -1.11 0.00 0.00 175.55 176.31 3haz n PRO 362 N 2.53 0.11 -4.27 -1.71 -0.04 -1.26 -4.55 135.00 125.81 3haz n PRO 362 Ca -0.18 0.19 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 3haz n PRO 362 Cb 0.54 -1.66 -0.08 0.00 -0.04 0.00 0.00 33.50 32.25 3haz n PRO 362 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3haz s VAL 363 N -3.09 3.41 0.75 0.52 -7.23 -1.26 -1.45 120.40 112.05 3haz s VAL 363 Ca 0.10 -1.69 -0.13 0.00 -1.81 0.00 0.00 61.98 58.44 3haz s VAL 363 Cb 0.13 -2.74 0.05 0.00 0.56 0.00 0.00 36.38 34.38 3haz s VAL 363 CO 0.47 -0.20 1.15 -0.36 -0.31 0.00 0.00 175.10 175.85 3haz s PHE 364 N -1.92 2.21 -0.55 2.82 0.08 -0.39 -4.87 117.98 115.34 3haz s PHE 364 Ca 0.28 1.62 0.07 0.00 0.12 0.00 0.00 56.93 59.01 3haz s PHE 364 Cb -0.08 -3.30 -0.02 0.00 -0.57 0.00 0.00 43.02 39.04 3haz s PHE 364 CO 0.18 -2.27 0.45 0.25 -0.10 0.00 0.00 175.22 173.73 3haz n THR 365 N -3.03 0.00 -4.50 0.64 -2.24 -1.26 -4.92 114.28 98.96 3haz n THR 365 Ca 0.12 -0.40 -0.34 0.00 -2.27 0.00 0.00 64.05 61.16 3haz n THR 365 Cb 0.51 1.06 -0.12 0.00 -2.10 0.00 0.00 70.33 69.68 3haz n THR 365 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3haz s ARG 366 N -1.28 3.37 0.29 -0.78 0.52 -1.26 -4.35 118.95 115.46 3haz s ARG 366 Ca 0.05 -0.54 -0.01 0.00 -0.52 0.00 0.00 55.73 54.71 3haz s ARG 366 Cb 0.06 -2.79 0.46 0.00 0.52 0.00 0.00 34.95 33.19 3haz s ARG 366 CO 0.21 0.37 1.92 -0.22 0.02 0.00 0.00 175.30 177.61 3haz h LYS 367 N 6.24 1.09 0.00 3.54 3.11 -1.93 -0.81 116.57 127.80 3haz h LYS 367 Ca -0.36 -0.07 -0.02 0.00 -2.81 0.00 0.00 60.65 57.39 3haz h LYS 367 Cb 1.19 -0.24 -0.00 0.00 -1.00 0.00 0.00 32.23 32.17 3haz h LYS 367 CO 0.59 0.72 -0.10 0.00 -2.81 0.00 0.00 179.45 177.85 3haz h ALA 368 N 1.48 1.80 -0.22 5.00 0.00 -1.95 -0.99 119.26 124.38 3haz h ALA 368 Ca 0.38 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 3haz h ALA 368 Cb 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3haz h ALA 368 CO -0.12 0.13 -0.50 0.52 0.00 0.00 0.00 179.25 179.27 3haz h MET 369 N 0.00 0.60 -0.51 0.00 2.86 -1.49 0.14 114.93 116.53 3haz h MET 369 Ca -0.00 -0.35 -0.05 0.00 -2.06 0.00 0.00 59.70 57.23 3haz h MET 369 Cb 0.18 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 3haz h MET 369 CO 0.01 0.96 0.11 1.15 1.06 0.00 0.00 176.91 180.20 3haz h THR 370 N 0.47 1.24 -0.64 2.22 2.02 -1.13 -0.31 112.91 116.78 3haz h THR 370 Ca 0.02 -0.88 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 3haz h THR 370 Cb 1.04 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.26 3haz h THR 370 CO 0.10 0.32 0.26 0.44 0.37 0.00 0.00 175.52 177.01 3haz h ASP 371 N 0.71 0.88 -0.17 4.18 3.32 -1.06 0.33 116.42 124.61 3haz h ASP 371 Ca 0.16 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3haz h ASP 371 Cb 0.35 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3haz h ASP 371 CO 0.00 0.81 0.10 -0.07 -1.72 0.00 0.00 179.24 178.36 3haz h LEU 372 N 0.90 0.21 -1.21 1.55 3.38 -0.84 -2.67 115.31 116.63 3haz h LEU 372 Ca 0.21 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3haz h LEU 372 Cb 0.20 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3haz h LEU 372 CO -0.02 0.23 -0.25 -1.13 0.09 0.00 0.00 178.44 177.36 3haz h ASN 373 N 0.18 0.23 -0.20 -0.43 -1.24 -0.77 -1.61 115.58 111.75 3haz h ASN 373 Ca 0.06 -0.07 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 3haz h ASN 373 Cb 0.06 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 3haz h ASN 373 CO -0.01 0.49 0.07 0.22 -1.29 0.00 0.00 177.43 176.91 3haz h TYR 374 N 0.22 0.31 -0.58 0.67 3.20 -0.81 0.12 116.97 120.08 3haz h TYR 374 Ca 0.04 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 3haz h TYR 374 Cb 0.56 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 3haz h TYR 374 CO 0.01 0.37 0.08 0.28 -1.64 0.00 0.00 178.16 177.26 3haz h VAL 375 N 0.15 1.26 -0.72 1.81 2.07 -1.29 0.97 116.25 120.49 3haz h VAL 375 Ca 0.06 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 66.59 3haz h VAL 375 Cb 0.21 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3haz h VAL 375 CO -0.00 0.37 0.47 0.00 0.02 0.00 0.00 177.57 178.42 3haz h ALA 376 N 1.00 0.93 -0.19 1.67 0.00 -1.15 -0.90 119.26 120.64 3haz h ALA 376 Ca 0.18 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3haz h ALA 376 Cb 0.44 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3haz h ALA 376 CO 0.01 0.28 -0.38 0.00 0.00 0.00 0.00 179.25 179.17 3haz h ALA 378 N 1.25 0.59 -0.56 0.00 0.00 -0.33 -0.45 119.26 119.76 3haz h ALA 378 Ca 0.03 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3haz h ALA 378 Cb 0.83 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3haz h ALA 378 CO 0.07 0.28 0.34 1.03 0.00 0.00 0.00 179.25 180.97 3haz h SER 379 N 0.59 0.55 -0.14 0.00 0.87 -1.02 -0.44 113.55 113.97 3haz h SER 379 Ca 0.14 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.72 3haz h SER 379 Cb 0.33 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 3haz h SER 379 CO 0.00 0.39 0.03 0.50 -0.53 0.00 0.00 176.83 177.22 3haz h LYS 380 N 0.67 0.09 -0.64 2.24 3.64 -1.06 -2.76 116.57 118.75 3haz h LYS 380 Ca 0.23 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.54 3haz h LYS 380 Cb 0.02 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3haz h LYS 380 CO -0.10 0.06 0.14 -0.07 -2.27 0.00 0.00 179.45 177.21 3haz h LEU 381 N 0.09 0.96 -1.43 5.20 3.38 -0.64 -2.73 115.31 120.14 3haz h LEU 381 Ca 0.06 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3haz h LEU 381 Cb 0.05 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3haz h LEU 381 CO -0.08 0.94 0.31 -0.07 0.09 0.00 0.00 178.44 179.62 3haz h LEU 382 N 0.97 0.60 0.00 1.67 3.38 -0.89 -0.58 115.31 120.47 3haz h LEU 382 Ca 0.20 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3haz h LEU 382 Cb 0.37 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3haz h LEU 382 CO 0.00 0.47 0.00 0.00 0.09 0.00 0.00 178.44 179.00 3haz n ALA 383 N -2.46 2.45 1.10 1.53 0.00 -1.04 -2.70 120.51 119.40 3haz n ALA 383 Ca 0.04 -0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.46 3haz n ALA 383 Cb 0.08 -1.47 0.16 0.00 0.00 0.00 0.00 19.45 18.21 3haz n ALA 383 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3haz n LEU 384 N -1.23 2.11 -4.75 0.00 4.77 -0.23 -4.90 117.00 112.77 3haz n LEU 384 Ca 0.15 -0.72 -0.38 0.00 -0.03 0.00 0.00 56.01 55.03 3haz n LEU 384 Cb 0.20 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.32 3haz n LEU 384 CO 0.21 0.37 0.94 -0.13 -1.33 0.00 0.00 177.39 177.45 3haz s ARG 385 N -2.27 3.00 0.00 3.23 0.52 -1.10 -1.90 118.95 120.43 3haz s ARG 385 Ca 0.25 2.11 0.24 0.00 -0.52 0.00 0.00 55.73 57.81 3haz s ARG 385 Cb 0.19 -2.12 0.33 0.00 0.52 0.00 0.00 34.95 33.87 3haz s ARG 385 CO 0.45 -1.26 1.29 -0.35 0.02 0.00 0.00 175.30 175.45 3haz n PRO 386 N -1.29 0.26 -0.16 3.54 -0.05 -1.26 -4.85 135.00 131.19 3haz n PRO 386 Ca 0.12 -0.18 -0.07 0.00 -0.05 0.00 0.00 63.50 63.32 3haz n PRO 386 Cb 0.47 -1.50 0.01 0.00 -0.05 0.00 0.00 33.50 32.43 3haz n PRO 386 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 175.50 175.36 3haz h ARG 387 N 0.43 0.62 -5.38 0.54 2.43 -1.90 -3.39 114.38 107.73 3haz h ARG 387 Ca 0.00 -0.04 -0.60 0.00 -0.81 0.00 0.00 59.98 58.53 3haz h ARG 387 Cb 0.52 -0.14 -0.12 0.00 -0.42 0.00 0.00 29.97 29.82 3haz h ARG 387 CO 0.00 0.42 -0.30 0.42 -1.51 0.00 0.00 179.97 179.01 3haz s ILE 388 N -6.12 5.26 -0.48 1.20 -1.09 -0.80 -2.06 121.20 117.11 3haz s ILE 388 Ca -0.13 0.56 -0.13 0.00 -2.23 0.00 0.00 60.65 58.72 3haz s ILE 388 Cb 0.12 -3.66 0.10 0.00 -1.58 0.00 0.00 42.46 37.44 3haz s ILE 388 CO 0.74 0.31 0.39 0.12 -1.23 0.00 0.00 174.94 175.27 3haz s PHE 389 N 1.00 3.29 0.36 3.97 5.36 0.42 -3.66 117.98 128.73 3haz s PHE 389 Ca 0.16 -1.31 -0.26 0.00 -0.96 0.00 0.00 56.93 54.57 3haz s PHE 389 Cb -0.14 -3.37 -0.09 0.00 -0.34 0.00 0.00 43.02 39.08 3haz s PHE 389 CO 0.06 -0.91 1.05 -2.14 -1.46 0.00 0.00 175.22 171.83 3haz s PRO 390 N 1.54 4.33 -0.20 10.12 0.02 -1.25 -1.16 135.00 148.39 3haz s PRO 390 Ca 0.04 1.58 -0.01 0.00 0.02 0.00 0.00 61.00 62.63 3haz s PRO 390 Cb -0.26 -2.74 0.05 0.00 0.02 0.00 0.00 34.50 31.57 3haz s PRO 390 CO 0.03 -0.01 -0.02 -0.65 -0.33 0.00 0.00 177.00 176.02 3haz s GLN 391 N -2.17 1.22 -0.55 5.54 -0.21 0.36 -1.66 119.66 122.19 3haz s GLN 391 Ca 0.53 -0.63 -0.17 0.00 0.02 0.00 0.00 55.36 55.11 3haz s GLN 391 Cb -0.25 -2.22 0.11 0.00 1.00 0.00 0.00 33.01 31.66 3haz s GLN 391 CO 0.31 -0.56 0.55 -0.06 -2.12 0.00 0.00 175.29 173.42 3haz s PHE 392 N 1.63 3.17 -0.36 0.91 0.08 -0.14 -0.22 117.98 123.06 3haz s PHE 392 Ca -0.02 -1.14 -0.22 0.00 0.12 0.00 0.00 56.93 55.67 3haz s PHE 392 Cb -0.17 -3.80 0.01 0.00 -0.57 0.00 0.00 43.02 38.49 3haz s PHE 392 CO -0.07 -1.08 0.74 0.00 -0.10 0.00 0.00 175.22 174.71 3haz s ALA 393 N 1.96 3.45 -0.17 5.36 0.00 -0.73 -0.81 121.76 130.81 3haz s ALA 393 Ca 0.06 -0.68 -0.29 0.00 0.00 0.00 0.00 51.96 51.04 3haz s ALA 393 Cb -0.27 -3.30 0.12 0.00 0.00 0.00 0.00 23.12 19.67 3haz s ALA 393 CO 0.05 -1.41 0.99 -0.08 0.00 0.00 0.00 175.76 175.30 3haz s THR 394 N 2.98 0.00 -0.28 0.00 -1.32 -1.07 -4.53 115.64 111.43 3haz s THR 394 Ca 0.30 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.93 3haz s THR 394 Cb -0.14 -1.00 0.44 0.00 -1.51 0.00 0.00 72.50 70.29 3haz s THR 394 CO 0.16 0.00 1.34 1.41 -2.21 0.00 0.00 174.62 175.32 3haz n HIS 395 N 0.96 0.69 -3.25 9.09 8.25 -1.26 -4.76 115.22 124.94 3haz n HIS 395 Ca -0.11 -0.82 -0.40 0.00 -0.26 0.00 0.00 57.72 56.13 3haz n HIS 395 Cb 0.58 -0.24 -0.08 0.00 1.12 0.00 0.00 29.99 31.37 3haz n HIS 395 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3haz s ASN 396 N -1.90 6.38 0.29 0.41 3.84 -1.26 -4.71 114.94 118.00 3haz s ASN 396 Ca 0.36 0.35 -0.02 0.00 0.21 0.00 0.00 52.86 53.76 3haz s ASN 396 Cb 0.28 -2.27 0.42 0.00 -0.55 0.00 0.00 41.25 39.13 3haz s ASN 396 CO 0.09 -0.33 1.90 0.00 -2.79 0.00 0.00 177.10 175.96 3haz h ALA 397 N 8.16 1.31 -0.35 1.71 0.00 -1.94 -0.66 119.26 127.49 3haz h ALA 397 Ca -0.29 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 3haz h ALA 397 Cb 1.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3haz h ALA 397 CO 0.72 0.54 -0.21 1.25 0.00 0.00 0.00 179.25 181.56 3haz h LEU 398 N 0.97 0.79 -0.28 0.00 5.85 -1.89 -0.76 115.31 119.98 3haz h LEU 398 Ca 0.24 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 3haz h LEU 398 Cb 0.08 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3haz h LEU 398 CO -0.03 1.04 0.17 0.74 -0.34 0.00 0.00 178.44 180.02 3haz h THR 399 N 0.54 1.10 0.16 1.05 2.02 -1.86 -0.62 112.91 115.30 3haz h THR 399 Ca 0.07 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 3haz h THR 399 Cb 0.76 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3haz h THR 399 CO 0.06 0.10 -0.12 0.58 0.37 0.00 0.00 175.52 176.51 3haz h VAL 400 N 0.36 0.73 -0.58 3.16 2.07 -1.07 -0.84 116.25 120.07 3haz h VAL 400 Ca 0.10 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.65 3haz h VAL 400 Cb 0.01 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 3haz h VAL 400 CO -0.02 0.00 0.39 0.00 0.02 0.00 0.00 177.57 177.96 3haz h ALA 401 N 0.53 1.70 -0.01 1.67 0.00 -0.99 -1.09 119.26 121.07 3haz h ALA 401 Ca -0.01 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.61 3haz h ALA 401 Cb 0.26 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.88 3haz h ALA 401 CO -0.01 0.24 -1.03 1.15 0.00 0.00 0.00 179.25 179.61 3haz h THR 402 N 0.68 1.28 -0.52 0.00 2.02 -0.80 -2.44 112.91 113.12 3haz h THR 402 Ca 0.23 -2.22 -0.10 0.00 0.77 0.00 0.00 66.41 65.09 3haz h THR 402 Cb 0.09 2.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.83 3haz h THR 402 CO -0.06 0.69 -0.09 0.58 0.37 0.00 0.00 175.52 177.01 3haz h VAL 403 N 0.41 1.26 -0.19 3.16 2.07 -0.82 -2.50 116.25 119.64 3haz h VAL 403 Ca -0.13 -1.22 0.01 0.00 0.82 0.00 0.00 66.70 66.19 3haz h VAL 403 Cb 1.68 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 3haz h VAL 403 CO 0.20 0.43 0.10 0.25 0.02 0.00 0.00 177.57 178.57 3haz h LEU 404 N 0.86 0.17 -0.84 2.57 5.85 -1.19 -1.51 115.31 121.21 3haz h LEU 404 Ca 0.14 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.91 3haz h LEU 404 Cb 0.63 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 3haz h LEU 404 CO 0.04 0.13 0.53 -0.08 -0.34 0.00 0.00 178.44 178.71 3haz h GLU 405 N 0.22 0.96 0.00 1.25 4.57 -1.31 -1.83 114.58 118.44 3haz h GLU 405 Ca 0.07 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 3haz h GLU 405 Cb 0.00 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.36 3haz h GLU 405 CO -0.04 0.64 -0.31 0.52 -1.18 0.00 0.00 179.01 178.64 3haz h MET 406 N 0.99 0.00 -0.03 1.92 2.86 -1.16 -2.67 114.93 116.84 3haz h MET 406 Ca 0.35 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.92 3haz h MET 406 Cb 0.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3haz h MET 406 CO -0.15 0.31 -0.33 0.00 1.06 0.00 0.00 176.91 177.81 3haz h ALA 407 N 1.69 1.40 0.00 6.32 0.00 -0.40 -3.46 119.26 124.82 3haz h ALA 407 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3haz h ALA 407 Cb 0.74 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3haz h ALA 407 CO 0.04 0.44 0.00 0.39 0.00 0.00 0.00 179.25 180.12 3haz n GLU 408 N -4.14 -0.24 -0.35 0.00 1.02 -1.01 -4.77 120.64 111.15 3haz n GLU 408 Ca -0.02 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3haz n GLU 408 Cb 0.38 -4.35 0.00 0.00 -0.02 0.00 0.00 31.44 27.45 3haz n GLU 408 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3haz n GLY 409 N -1.65 2.65 0.00 0.62 0.00 -1.26 -5.07 105.19 100.48 3haz n GLY 409 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3haz n GLY 409 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3haz n SER 410 N -0.34 0.44 -4.90 1.61 7.64 -1.26 -4.96 113.62 111.85 3haz n SER 410 Ca 0.00 -1.10 -0.34 0.00 1.01 0.00 0.00 58.87 58.44 3haz n SER 410 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 3haz n SER 410 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3haz s SER 411 N -0.10 6.40 0.00 6.43 1.04 -1.26 -4.50 113.70 121.71 3haz s SER 411 Ca 0.00 0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.84 3haz s SER 411 Cb 0.00 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 64.09 3haz s SER 411 CO 0.00 0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.13 3haz n GLY 412 N 1.22 0.61 3.63 7.32 0.00 -1.26 -5.02 105.19 111.68 3haz n GLY 412 Ca -0.13 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 3haz n GLY 412 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3haz s PHE 413 N -2.00 0.23 0.15 1.61 -0.12 -1.26 -3.95 117.98 112.64 3haz s PHE 413 Ca 0.00 -0.61 -0.02 0.00 -0.05 0.00 0.00 56.93 56.25 3haz s PHE 413 Cb 0.00 0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 42.64 3haz s PHE 413 CO 0.00 -1.02 0.11 -1.83 -0.05 0.00 0.00 175.22 172.42 3haz s GLU 414 N -3.99 1.01 0.31 1.99 -1.05 -0.67 -4.65 118.70 111.66 3haz s GLU 414 Ca 0.19 -1.43 0.07 0.00 -0.15 0.00 0.00 54.97 53.65 3haz s GLU 414 Cb -0.02 0.27 -0.02 0.00 -0.44 0.00 0.00 34.13 33.93 3haz s GLU 414 CO 0.08 -0.31 0.39 -0.06 0.95 0.00 0.00 175.26 176.31 3haz s PHE 415 N -4.05 3.12 0.08 4.83 0.40 -0.34 -0.96 117.98 121.05 3haz s PHE 415 Ca 0.25 -0.20 0.01 0.00 -0.60 0.00 0.00 56.93 56.40 3haz s PHE 415 Cb 0.07 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 41.72 3haz s PHE 415 CO 0.03 0.14 -0.06 -0.65 0.70 0.00 0.00 175.22 175.39 3haz s GLN 416 N -4.08 0.73 0.16 0.44 -0.21 0.01 -0.63 119.66 116.08 3haz s GLN 416 Ca 0.41 -1.21 -0.16 0.00 0.02 0.00 0.00 55.36 54.42 3haz s GLN 416 Cb -0.08 -0.12 0.03 0.00 1.00 0.00 0.00 33.01 33.83 3haz s GLN 416 CO 0.29 -0.03 0.45 -0.98 -2.12 0.00 0.00 175.29 172.91 3haz s ARG 417 N -3.47 1.23 -0.17 2.91 1.70 -0.58 -2.58 118.95 117.99 3haz s ARG 417 Ca 0.07 -0.81 -0.10 0.00 -0.47 0.00 0.00 55.73 54.42 3haz s ARG 417 Cb 0.03 0.49 -0.05 0.00 -0.57 0.00 0.00 34.95 34.86 3haz s ARG 417 CO -0.05 -0.50 0.16 -1.17 -1.08 0.00 0.00 175.30 172.66 3haz s LEU 418 N -2.85 4.27 0.11 -1.89 2.96 -1.26 -1.48 118.68 118.54 3haz s LEU 418 Ca 0.07 0.35 -0.35 0.00 -0.22 0.00 0.00 54.13 53.98 3haz s LEU 418 Cb 0.01 -2.13 -0.17 0.00 0.50 0.00 0.00 46.19 44.39 3haz s LEU 418 CO -0.07 0.24 1.15 1.57 -1.32 0.00 0.00 176.35 177.92 3haz n HIS 419 N 3.06 1.08 -0.44 5.38 -0.00 0.11 -0.59 115.22 123.83 3haz n HIS 419 Ca -0.17 0.77 0.00 0.00 -0.00 0.00 0.00 57.72 58.32 3haz n HIS 419 Cb 0.53 -2.23 0.00 0.00 -0.00 0.00 0.00 29.99 28.29 3haz n HIS 419 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3haz n GLY 420 N 2.05 0.72 3.06 1.57 0.00 -1.26 -4.94 105.19 106.39 3haz n GLY 420 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 3haz n GLY 420 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3haz s MET 421 N -0.56 0.47 -0.01 1.61 -1.94 0.24 -4.64 119.30 114.47 3haz s MET 421 Ca 0.00 -0.75 0.00 0.00 -1.71 0.00 0.00 55.69 53.23 3haz s MET 421 Cb 0.00 0.18 0.00 0.00 2.01 0.00 0.00 34.83 37.02 3haz s MET 421 CO 0.00 -0.10 0.00 0.41 -0.01 0.00 0.00 175.02 175.32 3haz n GLY 422 N 1.04 0.16 0.35 -0.03 0.00 -1.26 -4.36 105.19 101.10 3haz n GLY 422 Ca -0.20 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 3haz n GLY 422 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3haz h GLU 423 N 0.31 -0.82 -0.80 1.61 4.81 -1.90 -1.22 114.58 116.57 3haz h GLU 423 Ca -0.00 0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3haz h GLU 423 Cb 0.69 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.22 3haz h GLU 423 CO 0.00 -0.52 0.53 0.00 -0.73 0.00 0.00 179.01 178.29 3haz h ALA 424 N -0.65 1.02 0.26 2.92 0.00 -1.91 -1.60 119.26 119.31 3haz h ALA 424 Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3haz h ALA 424 Cb 0.69 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3haz h ALA 424 CO 0.14 0.41 -0.48 1.25 0.00 0.00 0.00 179.25 180.57 3haz h LEU 425 N 1.07 -1.40 -0.83 0.00 6.46 -1.78 -2.03 115.31 116.80 3haz h LEU 425 Ca 0.30 0.13 -0.12 0.00 -0.12 0.00 0.00 57.88 58.07 3haz h LEU 425 Cb -0.10 0.50 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 3haz h LEU 425 CO -0.07 -0.56 -0.56 1.88 -0.62 0.00 0.00 178.44 178.51 3haz h TYR 426 N -0.80 0.00 -0.47 1.25 -1.99 -1.07 -0.79 116.97 113.11 3haz h TYR 426 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 3haz h TYR 426 Cb 0.75 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.45 3haz h TYR 426 CO -0.36 0.56 0.30 0.93 -0.00 0.00 0.00 178.16 179.59 3haz h GLU 427 N 0.00 0.62 -0.55 4.88 5.08 -1.25 -0.21 114.58 123.14 3haz h GLU 427 Ca -0.01 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 3haz h GLU 427 Cb 1.03 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 3haz h GLU 427 CO 0.07 0.43 0.02 0.37 -1.00 0.00 0.00 179.01 178.90 3haz h GLN 428 N 0.63 0.96 -0.95 2.33 5.75 -0.97 -1.25 115.11 121.61 3haz h GLN 428 Ca 0.17 -0.30 0.03 0.00 -0.15 0.00 0.00 58.65 58.41 3haz h GLN 428 Cb -0.05 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.36 3haz h GLN 428 CO -0.03 0.96 0.62 1.25 -2.65 0.00 0.00 178.83 178.98 3haz h LEU 429 N 0.85 1.03 -0.49 -2.39 5.85 -0.90 -1.32 115.31 117.94 3haz h LEU 429 Ca 0.16 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.72 3haz h LEU 429 Cb 0.51 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3haz h LEU 429 CO 0.02 0.71 -0.38 0.00 -0.34 0.00 0.00 178.44 178.45 3haz h ALA 430 N 1.45 0.67 -0.89 1.25 0.00 -0.71 -0.10 119.26 120.92 3haz h ALA 430 Ca 0.37 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3haz h ALA 430 Cb 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3haz h ALA 430 CO -0.11 0.67 0.59 0.87 0.00 0.00 0.00 179.25 181.26 3haz h LYS 431 N 0.67 1.12 0.00 0.00 1.57 -0.53 -2.89 116.57 116.51 3haz h LYS 431 Ca 0.06 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3haz h LYS 431 Cb 0.94 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3haz h LYS 431 CO 0.09 0.74 -0.75 -0.25 -0.57 0.00 0.00 179.45 178.71 3haz n ASP 432 N -4.43 0.64 -3.41 0.86 8.00 -0.56 -4.67 116.55 112.98 3haz n ASP 432 Ca 0.11 -0.06 -0.21 0.00 0.71 0.00 0.00 54.79 55.35 3haz n ASP 432 Cb 0.07 0.40 -0.10 0.00 -0.02 0.00 0.00 41.12 41.47 3haz n ASP 432 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3haz s HIS 433 N -3.15 -0.07 0.53 1.24 3.76 -0.07 -5.02 115.29 112.51 3haz s HIS 433 Ca 0.06 -0.85 0.24 0.00 -0.15 0.00 0.00 55.06 54.36 3haz s HIS 433 Cb 0.14 -0.57 1.52 0.00 1.11 0.00 0.00 32.58 34.78 3haz s HIS 433 CO 0.75 -0.92 2.17 0.00 -0.85 0.00 0.00 174.74 175.89 3haz h ALA 434 N 7.45 1.63 -0.00 -1.40 0.00 -1.83 -1.87 119.26 123.25 3haz h ALA 434 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3haz h ALA 434 Cb 1.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3haz h ALA 434 CO 0.27 0.05 -0.11 -0.25 0.00 0.00 0.00 179.25 179.21 3haz n ASP 435 N -4.05 0.41 -4.74 0.00 8.00 -1.26 -4.89 116.55 110.01 3haz n ASP 435 Ca -0.03 -0.46 -0.41 0.00 0.71 0.00 0.00 54.79 54.60 3haz n ASP 435 Cb 0.13 -0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 41.09 3haz n ASP 435 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3haz s ILE 436 N -2.53 3.87 -0.06 0.53 -1.09 -0.70 -4.79 121.20 116.42 3haz s ILE 436 Ca 0.27 1.64 0.02 0.00 -2.23 0.00 0.00 60.65 60.36 3haz s ILE 436 Cb 0.20 -4.05 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 3haz s ILE 436 CO 0.49 0.30 -0.12 0.00 -1.23 0.00 0.00 174.94 174.37 3haz s ALA 437 N -0.36 2.73 -0.00 9.38 0.00 -1.26 -4.95 121.76 127.30 3haz s ALA 437 Ca 0.48 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.50 3haz s ALA 437 Cb -0.29 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 21.77 3haz s ALA 437 CO 0.35 0.52 -0.00 1.52 0.00 0.00 0.00 175.76 178.15 3haz s TYR 438 N -0.62 0.05 -0.14 0.00 1.13 -1.26 -1.20 117.35 115.31 3haz s TYR 438 Ca 0.09 -0.00 -0.11 0.00 -1.41 0.00 0.00 57.07 55.64 3haz s TYR 438 Cb -0.11 -0.04 -0.05 0.00 -1.10 0.00 0.00 41.96 40.66 3haz s TYR 438 CO 0.01 -0.01 0.21 0.50 -2.51 0.00 0.00 175.55 173.76 3haz s ARG 439 N 0.04 3.91 -0.19 -3.49 3.52 0.20 -4.95 118.95 117.98 3haz s ARG 439 Ca -0.00 -0.03 -0.04 0.00 -0.13 0.00 0.00 55.73 55.53 3haz s ARG 439 Cb -0.01 -3.32 -0.02 0.00 -1.56 0.00 0.00 34.95 30.05 3haz s ARG 439 CO -0.00 0.50 -0.04 0.99 -0.81 0.00 0.00 175.30 175.94 3haz s THR 440 N -0.28 3.63 -0.08 4.11 2.01 -1.26 -1.52 115.64 122.24 3haz s THR 440 Ca 0.15 -0.43 -0.05 0.00 0.31 0.00 0.00 61.69 61.67 3haz s THR 440 Cb -0.13 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 3haz s THR 440 CO 0.03 0.44 0.13 -0.31 -0.69 0.00 0.00 174.62 174.23 3haz s TYR 441 N 1.03 3.53 -0.10 4.92 2.02 -0.55 -0.42 117.35 127.77 3haz s TYR 441 Ca 0.01 0.44 -0.01 0.00 -0.37 0.00 0.00 57.07 57.14 3haz s TYR 441 Cb -0.15 -1.89 -0.03 0.00 -0.40 0.00 0.00 41.96 39.50 3haz s TYR 441 CO 0.01 0.68 -0.07 0.00 -1.57 0.00 0.00 175.55 174.60 3haz s ALA 442 N -1.09 2.93 0.08 3.71 0.00 0.11 0.08 121.76 127.58 3haz s ALA 442 Ca 0.18 -0.87 -0.31 0.00 0.00 0.00 0.00 51.96 50.96 3haz s ALA 442 Cb -0.12 -1.32 -0.07 0.00 0.00 0.00 0.00 23.12 21.61 3haz s ALA 442 CO 0.08 0.42 1.43 -2.14 0.00 0.00 0.00 175.76 175.55 3haz s PRO 443 N -0.30 4.29 -0.07 0.00 0.02 -1.26 -0.54 135.00 137.15 3haz s PRO 443 Ca 0.04 2.09 -0.00 0.00 0.02 0.00 0.00 61.00 63.15 3haz s PRO 443 Cb -0.13 -3.37 0.02 0.00 0.02 0.00 0.00 34.50 31.05 3haz s PRO 443 CO 0.02 -0.52 -0.04 0.08 -0.33 0.00 0.00 177.00 176.22 3haz s VAL 444 N 1.62 0.61 -1.88 3.83 1.01 -0.43 -0.68 120.40 124.50 3haz s VAL 444 Ca 0.66 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.55 3haz s VAL 444 Cb -0.36 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.34 3haz s VAL 444 CO 0.29 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.28 3haz n GLY 445 N 4.64 -1.06 3.87 4.51 0.00 -0.69 -1.18 105.19 115.29 3haz n GLY 445 Ca -0.15 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 3haz n GLY 445 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3haz s SER 446 N -4.00 6.55 0.40 1.61 0.01 -1.26 -2.31 113.70 114.70 3haz s SER 446 Ca 0.00 1.11 0.13 0.00 1.31 0.00 0.00 55.95 58.50 3haz s SER 446 Cb 0.00 -2.31 0.97 0.00 0.21 0.00 0.00 66.02 64.89 3haz s SER 446 CO 0.00 -0.35 1.89 0.45 0.41 0.00 0.00 173.24 175.64 3haz h HIS 447 N 1.44 0.61 0.00 2.43 -0.00 -1.19 -1.45 115.15 116.98 3haz h HIS 447 Ca -0.47 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 3haz h HIS 447 Cb 1.19 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 28.40 3haz h HIS 447 CO 0.61 0.22 0.00 2.89 -0.00 0.00 0.00 177.93 181.65 3haz n ARG 448 N -4.51 0.05 -0.05 2.45 1.85 -0.96 -1.81 116.66 113.68 3haz n ARG 448 Ca 0.16 0.38 0.05 0.00 -1.00 0.00 0.00 57.85 57.44 3haz n ARG 448 Cb 0.53 -1.62 0.07 0.00 -1.05 0.00 0.00 32.46 30.39 3haz n ARG 448 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3haz n ASP 449 N -1.72 2.09 0.01 2.89 8.00 -0.55 -4.72 116.55 122.55 3haz n ASP 449 Ca 0.02 -1.58 -0.13 0.00 0.71 0.00 0.00 54.79 53.81 3haz n ASP 449 Cb 0.13 -0.06 -0.09 0.00 -0.02 0.00 0.00 41.12 41.07 3haz n ASP 449 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3haz h LEU 450 N 1.82 -0.07 -0.23 0.64 5.85 -1.31 -3.27 115.31 118.74 3haz h LEU 450 Ca 0.00 -0.45 0.06 0.00 0.84 0.00 0.00 57.88 58.33 3haz h LEU 450 Cb 0.49 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.47 3haz h LEU 450 CO 0.00 0.44 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.26 3haz h LEU 451 N -0.59 -0.67 -1.04 2.25 3.38 -1.85 0.25 115.31 117.04 3haz h LEU 451 Ca -0.01 0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.21 3haz h LEU 451 Cb 0.51 0.32 -0.08 0.00 0.09 0.00 0.00 40.66 41.50 3haz h LEU 451 CO 0.01 -0.25 0.63 0.00 0.09 0.00 0.00 178.44 178.92 3haz h ALA 452 N 0.87 1.56 -0.08 1.53 0.00 -1.90 -2.24 119.26 119.00 3haz h ALA 452 Ca 0.13 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 3haz h ALA 452 Cb 0.42 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.02 3haz h ALA 452 CO -0.36 0.19 -0.63 -0.92 0.00 0.00 0.00 179.25 177.53 3haz h TYR 453 N 0.96 0.79 -0.76 0.00 3.20 -1.26 -3.29 116.97 116.61 3haz h TYR 453 Ca 0.49 -0.37 0.04 0.00 3.14 0.00 0.00 58.73 62.03 3haz h TYR 453 Cb 0.52 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.63 3haz h TYR 453 CO -0.00 1.18 0.47 -0.07 -1.64 0.00 0.00 178.16 178.10 3haz h LEU 454 N 0.18 0.76 0.21 2.82 3.38 -0.08 -2.10 115.31 120.47 3haz h LEU 454 Ca -0.06 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3haz h LEU 454 Cb 1.29 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 3haz h LEU 454 CO 0.13 0.52 -0.42 0.58 0.09 0.00 0.00 178.44 179.33 3haz h VAL 455 N 0.90 0.16 -0.61 1.22 2.07 -1.51 0.50 116.25 118.99 3haz h VAL 455 Ca 0.31 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.90 3haz h VAL 455 Cb 0.06 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 29.93 3haz h VAL 455 CO -0.13 0.00 0.29 -0.09 0.02 0.00 0.00 177.57 177.66 3haz h ARG 456 N -0.71 0.52 -0.88 1.57 2.43 -1.58 -2.02 114.38 113.69 3haz h ARG 456 Ca 0.00 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3haz h ARG 456 Cb 0.70 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.09 3haz h ARG 456 CO -0.19 0.34 0.57 -0.09 -1.51 0.00 0.00 179.97 179.10 3haz h ARG 457 N 0.53 1.09 0.00 0.20 9.65 -0.86 -2.90 114.38 122.08 3haz h ARG 457 Ca 0.29 -0.07 -0.14 0.00 -1.10 0.00 0.00 59.98 58.96 3haz h ARG 457 Cb 0.25 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 3haz h ARG 457 CO -0.22 0.72 -0.67 -0.07 2.80 0.00 0.00 179.97 182.53 3haz h LEU 458 N 1.12 0.00 -1.28 3.80 3.38 -0.23 -2.93 115.31 119.16 3haz h LEU 458 Ca 0.35 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.37 3haz h LEU 458 Cb -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3haz h LEU 458 CO -0.11 0.67 0.51 -0.07 0.09 0.00 0.00 178.44 179.53 3haz h LEU 459 N 0.00 0.79 0.13 1.67 3.38 -1.18 -1.61 115.31 118.49 3haz h LEU 459 Ca -0.01 -0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.64 3haz h LEU 459 Cb 1.26 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3haz h LEU 459 CO 0.09 0.53 -1.64 -0.08 0.09 0.00 0.00 178.44 177.43 3haz h GLU 460 N 0.91 0.28 0.00 1.13 4.22 -1.59 -2.83 114.58 116.71 3haz h GLU 460 Ca 0.32 -0.49 -0.03 0.00 0.08 0.00 0.00 59.36 59.24 3haz h GLU 460 Cb 0.14 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 3haz h GLU 460 CO -0.10 1.15 -0.16 -0.91 -2.18 0.00 0.00 179.01 176.81 3haz h ASN 461 N 0.08 0.00 -0.35 1.04 2.35 -1.46 -3.01 115.58 114.23 3haz h ASN 461 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 3haz h ASN 461 Cb 2.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.41 3haz h ASN 461 CO 0.16 0.16 0.00 0.61 -1.65 0.00 0.00 177.43 176.71 3haz n GLY 462 N 0.20 1.64 3.71 2.83 0.00 -0.61 -4.59 105.19 108.36 3haz n GLY 462 Ca 0.01 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 3haz n GLY 462 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3haz s ALA 463 N -1.56 3.23 0.39 4.61 0.00 -1.07 -4.95 121.76 122.41 3haz s ALA 463 Ca 0.38 0.46 0.05 0.00 0.00 0.00 0.00 51.96 52.85 3haz s ALA 463 Cb 0.23 -3.31 0.77 0.00 0.00 0.00 0.00 23.12 20.81 3haz s ALA 463 CO 0.32 -0.28 2.04 -0.91 0.00 0.00 0.00 175.76 176.92 3haz h ASN 464 N 6.85 0.57 0.99 0.00 4.21 -1.91 -2.34 115.58 123.96 3haz h ASN 464 Ca -0.39 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.10 3haz h ASN 464 Cb 1.20 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 38.26 3haz h ASN 464 CO 0.77 0.41 0.00 -1.54 -1.29 0.00 0.00 177.43 175.78 3haz n SER 465 N -4.46 0.30 -4.76 5.81 3.41 -1.26 -4.61 113.62 108.04 3haz n SER 465 Ca 0.04 0.54 -0.40 0.00 -0.26 0.00 0.00 58.87 58.79 3haz n SER 465 Cb 0.05 -0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 63.36 3haz n SER 465 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3haz s SER 466 N -3.55 7.04 0.15 4.04 1.04 -0.88 -4.93 113.70 116.61 3haz s SER 466 Ca 0.11 2.46 -0.14 0.00 0.48 0.00 0.00 55.95 58.86 3haz s SER 466 Cb 0.14 -2.64 0.03 0.00 0.10 0.00 0.00 66.02 63.66 3haz s SER 466 CO 0.48 -0.32 1.70 0.15 0.98 0.00 0.00 173.24 176.23 3haz h PHE 467 N 3.63 0.75 -0.87 5.02 3.57 -1.89 -2.38 116.94 124.77 3haz h PHE 467 Ca -0.48 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 60.96 3haz h PHE 467 Cb 1.22 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 3haz h PHE 467 CO 0.57 0.63 0.51 -0.39 -2.23 0.00 0.00 178.31 177.40 3haz h VAL 468 N 0.66 1.24 0.08 1.41 -1.51 -1.92 0.51 116.25 116.72 3haz h VAL 468 Ca 0.16 -0.55 -0.00 0.00 -1.23 0.00 0.00 66.70 65.08 3haz h VAL 468 Cb 0.20 0.03 0.00 0.00 -2.13 0.00 0.00 31.29 29.39 3haz h VAL 468 CO -0.01 0.26 -0.04 0.00 -1.23 0.00 0.00 177.57 176.55 3haz h ALA 469 N 1.36 -0.11 -0.52 5.19 0.00 -1.80 -2.75 119.26 120.63 3haz h ALA 469 Ca 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3haz h ALA 469 Cb -0.03 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3haz h ALA 469 CO -0.06 -0.42 0.29 1.96 0.00 0.00 0.00 179.25 181.03 3haz h GLN 470 N -0.41 0.72 -0.30 0.00 4.20 -1.16 -1.74 115.11 116.43 3haz h GLN 470 Ca -0.01 -0.08 0.06 0.00 0.06 0.00 0.00 58.65 58.68 3haz h GLN 470 Cb 0.35 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3haz h GLN 470 CO 0.02 0.56 0.21 0.00 -0.67 0.00 0.00 178.83 178.95 3haz h ALA 471 N 1.12 2.12 -0.00 3.87 0.00 -0.93 0.45 119.26 125.90 3haz h ALA 471 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3haz h ALA 471 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3haz h ALA 471 CO -0.03 -0.19 -0.10 0.00 0.00 0.00 0.00 179.25 178.93 3haz n ALA 472 N -2.56 2.74 -3.32 0.00 0.00 -0.69 -4.62 120.51 112.06 3haz n ALA 472 Ca 0.03 -0.25 -0.41 0.00 0.00 0.00 0.00 53.44 52.82 3haz n ALA 472 Cb 0.29 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.29 3haz n ALA 472 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3haz s ASP 473 N -2.49 5.67 0.00 0.00 2.15 0.15 -4.96 116.67 117.19 3haz s ASP 473 Ca 0.29 -1.58 0.12 0.00 0.43 0.00 0.00 52.55 51.81 3haz s ASP 473 Cb 0.20 -2.00 0.68 0.00 -0.30 0.00 0.00 42.92 41.50 3haz s ASP 473 CO 0.48 -0.57 1.26 -1.22 -0.17 0.00 0.00 175.17 174.94 3haz n TYR 474 N 4.93 0.00 0.21 -5.34 4.01 -1.26 -0.87 117.16 118.84 3haz n TYR 474 Ca -0.10 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.73 3haz n TYR 474 Cb 0.42 -0.17 0.42 0.00 -0.31 0.00 0.00 39.34 39.70 3haz n TYR 474 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3haz h ARG 475 N 0.00 0.00 -5.83 -0.72 3.08 -1.92 -3.42 114.38 105.57 3haz h ARG 475 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 3haz h ARG 475 Cb 0.07 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.01 3haz h ARG 475 CO 0.00 0.28 0.41 0.08 -1.07 0.00 0.00 179.97 179.66 3haz s VAL 476 N -3.66 4.72 0.52 2.04 1.01 -0.04 -5.03 120.40 119.96 3haz s VAL 476 Ca 0.00 0.95 -0.21 0.00 0.00 0.00 0.00 61.98 62.72 3haz s VAL 476 Cb 0.11 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 32.21 3haz s VAL 476 CO 0.65 -0.43 1.19 -2.84 0.00 0.00 0.00 175.10 173.67 3haz s PRO 477 N 3.14 3.42 0.23 2.72 0.02 -1.26 -4.94 135.00 138.33 3haz s PRO 477 Ca 0.32 1.80 -0.07 0.00 0.02 0.00 0.00 61.00 63.07 3haz s PRO 477 Cb -0.13 -2.18 0.38 0.00 0.02 0.00 0.00 34.50 32.59 3haz s PRO 477 CO 0.17 -0.84 1.70 0.28 -0.33 0.00 0.00 177.00 177.98 3haz h VAL 478 N 1.44 0.59 -0.10 3.83 2.07 -1.95 -0.79 116.25 121.35 3haz h VAL 478 Ca -0.50 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 66.95 3haz h VAL 478 Cb 1.27 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3haz h VAL 478 CO 0.58 0.05 0.08 -0.65 0.02 0.00 0.00 177.57 177.66 3haz h PRO 479 N 0.29 0.00 -0.35 1.57 0.11 -1.98 -1.28 132.00 130.36 3haz h PRO 479 Ca 0.37 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.38 3haz h PRO 479 Cb 0.58 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 3haz h PRO 479 CO -0.45 0.00 -0.18 0.00 -0.21 0.00 0.00 178.00 177.16 3haz h ALA 480 N 1.92 1.04 0.00 -0.75 0.00 -1.50 -2.00 119.26 117.97 3haz h ALA 480 Ca 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3haz h ALA 480 Cb 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3haz h ALA 480 CO -0.00 0.58 0.00 1.28 0.00 0.00 0.00 179.25 181.11 3haz n LEU 481 N -4.14 0.23 -0.80 0.00 4.77 -0.49 -3.12 117.00 113.45 3haz n LEU 481 Ca 0.00 0.55 0.09 0.00 -0.03 0.00 0.00 56.01 56.63 3haz n LEU 481 Cb 0.39 -0.51 0.11 0.00 -2.33 0.00 0.00 43.42 41.07 3haz n LEU 481 CO 0.43 -0.31 0.57 0.18 -1.33 0.00 0.00 177.39 176.93 3haz n LEU 482 N -1.75 2.72 -4.70 2.23 4.77 -0.76 -4.74 117.00 114.77 3haz n LEU 482 Ca 0.04 -1.16 -0.43 0.00 -0.03 0.00 0.00 56.01 54.42 3haz n LEU 482 Cb 0.22 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3haz n LEU 482 CO 0.18 0.52 1.33 1.67 -1.33 0.00 0.00 177.39 179.75 3haz n GLN 483 N 1.08 2.58 -2.36 3.23 7.27 -1.17 -4.94 117.38 123.07 3haz n GLN 483 Ca 0.12 0.93 -0.40 0.00 0.07 0.00 0.00 57.00 57.72 3haz n GLN 483 Cb 0.48 -2.76 -0.04 0.00 2.41 0.00 0.00 30.24 30.33 3haz n GLN 483 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3haz s ARG 484 N 1.28 4.55 0.23 3.69 3.00 -1.26 -4.94 118.95 125.49 3haz s ARG 484 Ca 0.77 1.94 -0.06 0.00 0.00 0.00 0.00 55.73 58.38 3haz s ARG 484 Cb -0.56 -3.15 0.33 0.00 0.00 0.00 0.00 34.95 31.57 3haz s ARG 484 CO 0.35 0.08 1.81 -1.35 0.00 0.00 0.00 175.30 176.18 3haz h PRO 485 N 3.69 0.71 -0.52 3.54 0.11 -1.92 -0.88 132.00 136.74 3haz h PRO 485 Ca -0.47 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 65.68 3haz h PRO 485 Cb 1.22 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 3haz h PRO 485 CO 0.67 0.47 0.35 0.00 -0.21 0.00 0.00 178.00 179.28 3haz h ALA 486 N 1.42 2.03 0.00 -0.75 0.00 -1.92 -0.75 119.26 119.29 3haz h ALA 486 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3haz h ALA 486 Cb 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3haz h ALA 486 CO -0.23 -0.14 0.00 -0.44 0.00 0.00 0.00 179.25 178.44 3haz h ASP 487 N 0.35 0.00 0.54 0.00 3.32 -1.54 0.11 116.42 119.19 3haz h ASP 487 Ca 0.24 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.00 3haz h ASP 487 Cb 0.48 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3haz h ASP 487 CO -0.06 0.00 -1.47 0.00 -1.72 0.00 0.00 179.24 175.99 3haz h ALA 488 N 2.38 0.34 0.11 3.45 0.00 -0.94 -3.37 119.26 121.22 3haz h ALA 488 Ca 0.00 -1.12 -0.20 0.00 0.00 0.00 0.00 54.91 53.59 3haz h ALA 488 Cb 0.73 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.76 3haz h ALA 488 CO 0.00 1.20 -0.95 0.82 0.00 0.00 0.00 179.25 180.32 3haz h ILE 489 N 0.05 1.34 0.00 0.00 1.08 -1.31 -3.47 117.51 115.20 3haz h ILE 489 Ca -0.21 -2.45 0.00 0.00 -0.39 0.00 0.00 64.86 61.81 3haz h ILE 489 Cb 1.98 2.99 0.00 0.00 -3.07 0.00 0.00 36.82 38.72 3haz h ILE 489 CO 0.15 0.67 0.00 1.33 -0.69 0.00 0.00 178.15 179.61 3haz n VAL 490 N -4.13 0.00 -4.41 1.67 0.24 0.36 -4.72 118.33 107.34 3haz n VAL 490 Ca -0.18 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 61.91 3haz n VAL 490 Cb 0.80 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 33.02 3haz n VAL 490 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3haz s ARG 491 N 0.00 1.00 0.24 7.34 6.06 -1.26 -5.04 118.95 127.30 3haz s ARG 491 Ca 0.00 -0.31 -0.09 0.00 -2.50 0.00 0.00 55.73 52.83 3haz s ARG 491 Cb 0.00 -0.93 0.39 0.00 0.06 0.00 0.00 34.95 34.47 3haz s ARG 491 CO 0.00 0.11 1.62 -1.35 -2.50 0.00 0.00 175.30 173.18 3haz h PRO 492 N 6.41 0.05 0.00 5.12 0.11 -1.86 0.18 132.00 142.01 3haz h PRO 492 Ca -0.33 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3haz h PRO 492 Cb 1.17 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3haz h PRO 492 CO 0.49 0.04 0.00 0.00 -0.21 0.00 0.00 178.00 178.31 3haz n GLN 493 N -5.41 0.08 -0.26 1.05 10.64 -1.26 -0.91 117.38 121.32 3haz n GLN 493 Ca 0.12 0.45 0.08 0.00 -1.83 0.00 0.00 57.00 55.82 3haz n GLN 493 Cb 0.45 -1.69 0.23 0.00 -0.86 0.00 0.00 30.24 28.36 3haz n GLN 493 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3haz n ALA 494 N -1.63 2.42 0.13 2.61 0.00 0.62 -4.55 120.51 120.11 3haz n ALA 494 Ca 0.01 -0.89 -0.14 0.00 0.00 0.00 0.00 53.44 52.42 3haz n ALA 494 Cb 0.11 -0.96 -0.08 0.00 0.00 0.00 0.00 19.45 18.52 3haz n ALA 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3haz h ALA 495 N 3.95 -0.29 -2.64 0.00 0.00 -1.08 -3.43 119.26 115.77 3haz h ALA 495 Ca 0.00 -0.11 -0.51 0.00 0.00 0.00 0.00 54.91 54.29 3haz h ALA 495 Cb 0.69 0.11 0.08 0.00 0.00 0.00 0.00 17.79 18.67 3haz h ALA 495 CO 0.00 -0.60 0.44 0.00 0.00 0.00 0.00 179.25 179.08 3haz s ALA 496 N -5.69 2.65 0.04 0.00 0.00 -1.26 -4.18 121.76 113.33 3haz s ALA 496 Ca -0.15 0.85 -0.31 0.00 0.00 0.00 0.00 51.96 52.36 3haz s ALA 496 Cb 0.04 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 3haz s ALA 496 CO 0.63 -0.88 1.32 -1.58 0.00 0.00 0.00 175.76 175.25 3haz s HIS 497 N -1.76 3.16 -0.04 0.00 2.46 -1.26 -4.87 115.29 112.97 3haz s HIS 497 Ca 0.73 1.03 0.31 0.00 0.47 0.00 0.00 55.06 57.61 3haz s HIS 497 Cb -0.25 -3.57 1.33 0.00 -0.13 0.00 0.00 32.58 29.96 3haz s HIS 497 CO 0.29 -1.98 1.92 -1.00 -2.47 0.00 0.00 174.74 171.50 3haz h PRO 498 N 7.22 0.00 -0.24 2.88 0.13 -1.93 -2.92 132.00 137.13 3haz h PRO 498 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3haz h PRO 498 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3haz h PRO 498 CO 0.86 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.17 3haz n ARG 499 N -2.80 2.76 -4.01 0.86 1.74 -1.26 -4.85 116.66 109.09 3haz n ARG 499 Ca 0.01 -2.61 -0.31 0.00 -0.77 0.00 0.00 57.85 54.17 3haz n ARG 499 Cb 0.25 -1.66 -0.15 0.00 -1.02 0.00 0.00 32.46 29.88 3haz n ARG 499 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3haz s ILE 500 N -2.39 2.04 0.51 0.55 1.01 -1.10 -5.11 121.20 116.70 3haz s ILE 500 Ca 0.36 -1.86 -0.19 0.00 0.00 0.00 0.00 60.65 58.95 3haz s ILE 500 Cb 0.28 -2.34 -0.07 0.00 0.01 0.00 0.00 42.46 40.33 3haz s ILE 500 CO 0.09 -0.32 1.06 -2.16 0.00 0.00 0.00 174.94 173.61 3haz s PRO 501 N 1.09 3.65 0.74 2.79 0.04 -1.26 -4.83 135.00 137.22 3haz s PRO 501 Ca 0.01 1.39 -0.15 0.00 0.04 0.00 0.00 61.00 62.29 3haz s PRO 501 Cb -0.19 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.32 3haz s PRO 501 CO -0.08 -0.56 1.23 -0.51 0.04 0.00 0.00 177.00 177.13 3haz s LEU 502 N -3.68 3.32 0.39 -3.56 1.43 -1.26 -4.84 118.68 110.48 3haz s LEU 502 Ca 0.68 2.44 0.12 0.00 -1.03 0.00 0.00 54.13 56.34 3haz s LEU 502 Cb -0.18 -4.60 0.92 0.00 0.03 0.00 0.00 46.19 42.37 3haz s LEU 502 CO 0.23 -2.36 1.89 -0.65 0.23 0.00 0.00 176.35 175.69 3haz h PRO 503 N -0.29 0.55 0.00 1.29 0.11 -1.86 0.55 132.00 132.35 3haz h PRO 503 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3haz h PRO 503 Cb 1.31 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3haz h PRO 503 CO 0.49 0.37 0.00 0.00 -0.21 0.00 0.00 178.00 178.65 3haz n ASP 505 N -2.97 4.11 -0.18 0.00 8.00 0.17 -2.53 116.55 123.16 3haz n ASP 505 Ca -0.01 -2.42 0.17 0.00 0.71 0.00 0.00 54.79 53.24 3haz n ASP 505 Cb 0.20 -0.48 0.52 0.00 -0.02 0.00 0.00 41.12 41.34 3haz n ASP 505 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3haz h LEU 506 N 3.17 0.37 -1.90 0.64 5.85 -1.26 -2.12 115.31 120.05 3haz h LEU 506 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3haz h LEU 506 Cb 1.25 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3haz h LEU 506 CO 0.16 0.18 0.00 0.49 -0.34 0.00 0.00 178.44 178.93 3haz n PHE 507 N -4.47 0.15 -1.70 1.25 3.01 -1.26 -5.01 117.46 109.43 3haz n PHE 507 Ca 0.15 -0.16 -0.39 0.00 1.01 0.00 0.00 57.45 58.06 3haz n PHE 507 Cb 0.58 -0.01 0.03 0.00 -0.01 0.00 0.00 39.48 40.07 3haz n PHE 507 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3haz n ALA 508 N 0.61 1.17 0.66 4.37 0.00 -0.80 -1.11 120.51 125.41 3haz n ALA 508 Ca 0.08 0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.78 3haz n ALA 508 Cb 0.33 -2.27 0.26 0.00 0.00 0.00 0.00 19.45 17.78 3haz n ALA 508 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3haz n PRO 509 N -0.56 2.08 0.25 0.00 -0.04 -1.26 -4.91 135.00 130.55 3haz n PRO 509 Ca 0.09 -1.65 -0.13 0.00 -0.04 0.00 0.00 63.50 61.77 3haz n PRO 509 Cb 0.43 -1.41 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 3haz n PRO 509 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3haz h GLU 510 N 2.95 -0.74 -3.61 0.54 4.39 -1.54 -3.47 114.58 113.11 3haz h GLU 510 Ca 0.00 0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 3haz h GLU 510 Cb 0.66 0.17 -0.10 0.00 -0.10 0.00 0.00 28.75 29.38 3haz h GLU 510 CO 0.00 -0.49 -0.13 -0.98 -1.16 0.00 0.00 179.01 176.25 3haz s ARG 511 N -4.99 1.39 0.58 2.33 1.70 -1.19 -4.94 118.95 113.83 3haz s ARG 511 Ca -0.13 -1.11 -0.14 0.00 -0.47 0.00 0.00 55.73 53.88 3haz s ARG 511 Cb 0.02 0.46 -0.05 0.00 -0.57 0.00 0.00 34.95 34.81 3haz s ARG 511 CO 0.41 -0.56 1.02 -0.98 -1.08 0.00 0.00 175.30 174.11 3haz s ARG 512 N -3.96 3.62 0.05 3.89 3.03 -1.26 -3.39 118.95 120.93 3haz s ARG 512 Ca 0.17 0.94 -0.03 0.00 2.03 0.00 0.00 55.73 58.84 3haz s ARG 512 Cb 0.00 -2.08 -0.05 0.00 -1.03 0.00 0.00 34.95 31.79 3haz s ARG 512 CO 0.03 -0.55 0.26 1.21 -1.13 0.00 0.00 175.30 175.12 3haz s ASN 513 N -3.42 6.43 0.72 -2.89 2.47 -1.05 -4.96 114.94 112.24 3haz s ASN 513 Ca 0.58 0.43 -0.12 0.00 0.42 0.00 0.00 52.86 54.18 3haz s ASN 513 Cb -0.12 -2.03 0.03 0.00 -1.45 0.00 0.00 41.25 37.68 3haz s ASN 513 CO 0.42 0.19 1.09 -0.94 -3.72 0.00 0.00 177.10 174.13 3haz s SER 514 N -2.16 4.89 0.04 -4.21 1.04 -1.26 -4.87 113.70 107.16 3haz s SER 514 Ca 0.33 1.81 -0.13 0.00 0.48 0.00 0.00 55.95 58.44 3haz s SER 514 Cb -0.13 -2.52 -0.06 0.00 0.10 0.00 0.00 66.02 63.41 3haz s SER 514 CO 0.22 -1.78 0.41 -0.13 0.98 0.00 0.00 173.24 172.95 3haz s ARG 515 N -4.72 3.86 0.00 4.02 0.52 -1.26 -4.74 118.95 116.63 3haz s ARG 515 Ca 0.62 0.33 0.00 0.00 -0.52 0.00 0.00 55.73 56.16 3haz s ARG 515 Cb -0.17 -3.12 0.00 0.00 0.52 0.00 0.00 34.95 32.18 3haz s ARG 515 CO 0.52 0.63 0.00 0.41 0.02 0.00 0.00 175.30 176.88 3haz n GLY 516 N 1.43 4.83 2.88 -3.53 0.00 0.17 -4.87 105.19 106.10 3haz n GLY 516 Ca -0.11 -2.12 -0.13 0.00 0.00 0.00 0.00 46.02 43.66 3haz n GLY 516 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3haz s VAL 517 N 0.35 -0.02 -0.50 1.61 1.01 -1.24 -4.74 120.40 116.87 3haz s VAL 517 Ca 0.00 0.06 -0.23 0.00 0.00 0.00 0.00 61.98 61.81 3haz s VAL 517 Cb 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 36.38 36.34 3haz s VAL 517 CO 0.00 0.02 0.82 -0.70 0.00 0.00 0.00 175.10 175.24 3haz s GLU 518 N 0.33 3.32 0.58 2.72 2.56 -1.26 -4.90 118.70 122.04 3haz s GLU 518 Ca -0.03 -0.31 0.36 0.00 0.00 0.00 0.00 54.97 54.99 3haz s GLU 518 Cb -0.04 -4.01 1.71 0.00 2.00 0.00 0.00 34.13 33.79 3haz s GLU 518 CO -0.01 -1.28 2.12 0.74 -0.56 0.00 0.00 175.26 176.26 3haz h PHE 519 N 9.12 0.00 -0.01 5.30 -1.00 -1.96 -2.05 116.94 126.33 3haz h PHE 519 Ca -0.26 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.52 3haz h PHE 519 Cb 1.08 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.64 3haz h PHE 519 CO 0.83 0.03 0.00 0.41 -1.61 0.00 0.00 178.31 177.97 3haz n GLY 520 N -0.42 -0.78 3.20 -1.45 0.00 -1.26 -4.47 105.19 100.00 3haz n GLY 520 Ca -0.01 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 3haz n GLY 520 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3haz s ALA 521 N -1.98 3.19 0.47 4.61 0.00 -0.77 -4.61 121.76 122.66 3haz s ALA 521 Ca 0.40 -2.25 0.16 0.00 0.00 0.00 0.00 51.96 50.26 3haz s ALA 521 Cb 0.19 -2.48 1.13 0.00 0.00 0.00 0.00 23.12 21.96 3haz s ALA 521 CO 0.31 -1.67 2.02 0.07 0.00 0.00 0.00 175.76 176.50 3haz h ARG 522 N 8.23 0.25 -0.52 0.00 0.11 -1.85 0.94 114.38 121.56 3haz h ARG 522 Ca -0.19 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 59.84 3haz h ARG 522 Cb 1.07 -0.06 -0.02 0.00 1.11 0.00 0.00 29.97 32.07 3haz h ARG 522 CO 0.71 0.17 0.18 1.15 0.10 0.00 0.00 179.97 182.28 3haz h THR 523 N 0.26 1.23 -0.22 0.08 2.02 -1.93 0.51 112.91 114.85 3haz h THR 523 Ca 0.21 -0.74 -0.08 0.00 0.77 0.00 0.00 66.41 66.57 3haz h THR 523 Cb 0.49 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3haz h THR 523 CO -0.04 0.28 -0.17 0.00 0.37 0.00 0.00 175.52 175.95 3haz h ALA 524 N 1.03 0.32 -0.39 6.16 0.00 -1.14 -2.08 119.26 123.16 3haz h ALA 524 Ca 0.17 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3haz h ALA 524 Cb 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3haz h ALA 524 CO -0.01 0.22 -0.12 1.25 0.00 0.00 0.00 179.25 180.59 3haz h LEU 525 N 0.20 0.79 -0.90 0.00 5.85 -1.24 -1.91 115.31 118.09 3haz h LEU 525 Ca 0.04 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 3haz h LEU 525 Cb 0.70 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 3haz h LEU 525 CO 0.04 0.98 0.27 0.44 -0.34 0.00 0.00 178.44 179.84 3haz h ASP 526 N 0.58 0.99 -0.23 1.25 3.32 -0.92 -0.96 116.42 120.45 3haz h ASP 526 Ca 0.09 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 56.90 3haz h ASP 526 Cb 0.66 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 3haz h ASP 526 CO 0.04 0.89 -0.23 -0.61 -1.72 0.00 0.00 179.24 177.62 3haz h GLN 527 N 1.05 0.56 -0.49 3.56 5.75 -1.30 -1.61 115.11 122.62 3haz h GLN 527 Ca 0.24 -0.29 0.04 0.00 -0.15 0.00 0.00 58.65 58.49 3haz h GLN 527 Cb 0.22 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.74 3haz h GLN 527 CO -0.02 0.88 0.25 1.25 -2.65 0.00 0.00 178.83 178.54 3haz h LEU 528 N 0.26 0.35 -0.54 -2.39 5.85 -1.20 0.72 115.31 118.36 3haz h LEU 528 Ca 0.04 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3haz h LEU 528 Cb 0.78 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 3haz h LEU 528 CO 0.06 0.25 0.27 -0.07 -0.34 0.00 0.00 178.44 178.61 3haz h LEU 529 N 0.48 0.70 -0.14 2.25 3.38 -1.08 -1.38 115.31 119.51 3haz h LEU 529 Ca 0.22 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3haz h LEU 529 Cb 0.13 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3haz h LEU 529 CO -0.15 0.62 0.08 0.74 0.09 0.00 0.00 178.44 179.81 3haz h THR 530 N 0.73 1.09 -0.31 0.22 2.02 -0.98 -0.71 112.91 114.98 3haz h THR 530 Ca 0.19 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 67.13 3haz h THR 530 Cb 0.09 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 3haz h THR 530 CO -0.03 0.09 0.15 0.44 0.37 0.00 0.00 175.52 176.54 3haz h ASP 531 N 0.14 0.22 -0.65 4.18 3.32 -0.63 0.63 116.42 123.61 3haz h ASP 531 Ca 0.05 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 3haz h ASP 531 Cb 0.07 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3haz h ASP 531 CO -0.01 0.16 0.21 0.58 -1.72 0.00 0.00 179.24 178.46 3haz h VAL 532 N 0.31 1.25 -0.47 -1.35 2.07 -1.20 -2.45 116.25 114.41 3haz h VAL 532 Ca 0.13 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 3haz h VAL 532 Cb 0.05 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3haz h VAL 532 CO -0.10 0.33 0.17 0.50 0.02 0.00 0.00 177.57 178.50 3haz h LYS 533 N 0.94 0.68 0.00 1.57 3.64 -0.57 -2.15 116.57 120.68 3haz h LYS 533 Ca 0.21 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 3haz h LYS 533 Cb 0.29 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3haz h LYS 533 CO -0.01 0.57 -0.22 0.00 -2.27 0.00 0.00 179.45 177.52 3haz h ALA 534 N 1.52 1.41 -2.15 5.00 0.00 -0.41 -3.42 119.26 121.21 3haz h ALA 534 Ca 0.16 -0.20 -0.57 0.00 0.00 0.00 0.00 54.91 54.30 3haz h ALA 534 Cb 0.16 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3haz h ALA 534 CO -0.01 0.27 0.77 -1.21 0.00 0.00 0.00 179.25 179.07 3haz s GLU 535 N -4.28 4.29 0.20 0.00 0.41 -0.81 -5.02 118.70 113.48 3haz s GLU 535 Ca -0.03 1.47 0.05 0.00 -0.41 0.00 0.00 54.97 56.05 3haz s GLU 535 Cb 0.14 -3.64 -0.04 0.00 -1.78 0.00 0.00 34.13 28.81 3haz s GLU 535 CO 0.66 -0.57 0.23 -0.08 -0.49 0.00 0.00 175.26 175.00 3haz s THR 536 N 2.96 4.81 -0.30 3.63 -1.32 -1.26 -4.99 115.64 119.17 3haz s THR 536 Ca 0.48 -1.05 -0.06 0.00 -1.21 0.00 0.00 61.69 59.85 3haz s THR 536 Cb -0.18 -3.53 0.19 0.00 -1.51 0.00 0.00 72.50 67.47 3haz s THR 536 CO 0.12 -0.21 0.85 -0.83 -2.21 0.00 0.00 174.62 172.34 3haz s GLY 537 N -3.48 -0.80 0.47 6.08 0.00 -1.26 -5.01 107.32 103.32 3haz s GLY 537 Ca 0.33 2.09 0.27 0.00 0.00 0.00 0.00 44.72 47.40 3haz s GLY 537 CO 0.26 3.74 1.85 -0.55 0.00 0.00 0.00 173.10 178.40 3haz h ASP 538 N 7.85 0.00 -3.82 1.64 3.32 -2.05 -3.48 116.42 119.88 3haz h ASP 538 Ca -0.13 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 3haz h ASP 538 Cb 1.17 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.78 3haz h ASP 538 CO 0.04 0.14 -0.26 0.18 -1.72 0.00 0.00 179.24 177.62 3haz n LEU 539 N -3.27 -3.27 -4.76 1.55 4.77 -1.26 -5.01 117.00 105.76 3haz n LEU 539 Ca 0.01 -0.22 -0.41 0.00 -0.03 0.00 0.00 56.01 55.36 3haz n LEU 539 Cb 0.40 -1.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.02 3haz n LEU 539 CO 0.32 -0.01 0.96 -1.59 -1.33 0.00 0.00 177.39 175.74 3haz s LYS 540 N -3.42 4.40 0.43 3.23 -2.85 -1.26 -4.97 119.74 115.29 3haz s LYS 540 Ca 0.14 2.11 -0.26 0.00 -1.00 0.00 0.00 55.97 56.96 3haz s LYS 540 Cb -0.02 -3.13 -0.09 0.00 -2.06 0.00 0.00 37.83 32.53 3haz s LYS 540 CO 0.25 -0.16 1.39 -2.30 0.10 0.00 0.00 175.35 174.62 3haz n PRO 541 N 1.55 2.22 -3.71 1.78 -0.02 -1.26 -4.99 135.00 130.58 3haz n PRO 541 Ca 0.02 0.79 -0.38 0.00 -2.02 0.00 0.00 63.50 61.90 3haz n PRO 541 Cb 0.42 -2.55 -0.12 0.00 -0.02 0.00 0.00 33.50 31.24 3haz n PRO 541 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3haz s ILE 542 N -1.18 3.92 0.14 4.25 1.01 -1.26 -5.07 121.20 123.02 3haz s ILE 542 Ca 0.60 -1.23 -0.35 0.00 0.00 0.00 0.00 60.65 59.67 3haz s ILE 542 Cb -0.48 -3.29 -0.16 0.00 0.01 0.00 0.00 42.46 38.55 3haz s ILE 542 CO 0.59 -0.29 1.36 0.00 0.00 0.00 0.00 174.94 176.59 3haz n ALA 543 N 4.84 -0.22 -1.25 9.38 0.00 -1.26 -4.95 120.51 127.05 3haz n ALA 543 Ca -0.11 0.48 -0.32 0.00 0.00 0.00 0.00 53.44 53.48 3haz n ALA 543 Cb 0.44 -2.14 0.09 0.00 0.00 0.00 0.00 19.45 17.84 3haz n ALA 543 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3haz s ASP 544 N 0.44 4.28 0.26 0.00 1.01 -1.26 -4.80 116.67 116.59 3haz s ASP 544 Ca 0.79 2.09 -0.11 0.00 0.71 0.00 0.00 52.55 56.03 3haz s ASP 544 Cb -0.84 -2.56 -0.07 0.00 1.01 0.00 0.00 42.92 40.46 3haz s ASP 544 CO 0.46 -2.19 0.59 0.00 0.21 0.00 0.00 175.17 174.25 3haz s ALA 545 N -2.44 3.51 0.42 5.23 0.00 -0.03 -4.98 121.76 123.47 3haz s ALA 545 Ca 0.67 -0.21 -0.04 0.00 0.00 0.00 0.00 51.96 52.38 3haz s ALA 545 Cb -0.22 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 3haz s ALA 545 CO 0.49 0.45 0.70 0.95 0.00 0.00 0.00 175.76 178.35 3haz s THR 546 N -1.88 4.96 0.54 0.00 -4.23 -1.26 -4.87 115.64 108.90 3haz s THR 546 Ca 0.49 0.06 0.24 0.00 -1.18 0.00 0.00 61.69 61.30 3haz s THR 546 Cb -0.11 -3.84 0.36 0.00 1.34 0.00 0.00 72.50 70.26 3haz s THR 546 CO 0.21 -0.68 2.04 -0.65 -0.54 0.00 0.00 174.62 175.00 3haz h PRO 547 N 0.63 0.00 -0.19 3.99 0.11 -1.98 -0.63 132.00 133.93 3haz h PRO 547 Ca -0.48 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 3haz h PRO 547 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3haz h PRO 547 CO 0.62 0.00 -0.06 -0.44 -0.21 0.00 0.00 178.00 177.92 3haz h ASP 548 N 0.00 0.38 -0.54 -2.05 5.19 -1.99 -2.38 116.42 115.03 3haz h ASP 548 Ca 0.17 -0.38 -0.02 0.00 -0.62 0.00 0.00 57.03 56.18 3haz h ASP 548 Cb 0.73 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 40.10 3haz h ASP 548 CO -0.00 0.67 0.26 1.56 -3.12 0.00 0.00 179.24 178.61 3haz h GLN 549 N 0.09 0.82 -0.49 3.56 4.20 -1.54 -0.39 115.11 121.36 3haz h GLN 549 Ca 0.05 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 3haz h GLN 549 Cb 0.51 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 3haz h GLN 549 CO 0.02 0.65 0.13 0.00 -0.67 0.00 0.00 178.83 178.97 3haz h ALA 550 N 1.47 0.64 -0.40 3.87 0.00 -1.24 -0.01 119.26 123.58 3haz h ALA 550 Ca 0.20 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3haz h ALA 550 Cb 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3haz h ALA 550 CO -0.02 0.31 -0.17 0.45 0.00 0.00 0.00 179.25 179.82 3haz h HIS 551 N 0.66 0.85 -0.59 0.00 3.86 -0.95 -2.18 115.15 116.80 3haz h HIS 551 Ca 0.15 -0.18 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 3haz h HIS 551 Cb 0.30 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.53 3haz h HIS 551 CO 0.02 0.88 0.26 0.00 0.86 0.00 0.00 177.93 179.95 3haz h ALA 552 N 1.13 1.36 -0.34 2.45 0.00 -0.84 -1.32 119.26 121.70 3haz h ALA 552 Ca 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3haz h ALA 552 Cb 0.67 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3haz h ALA 552 CO 0.05 0.49 0.15 0.00 0.00 0.00 0.00 179.25 179.93 3haz h ALA 553 N 1.46 0.44 -0.44 0.00 0.00 -0.53 -0.01 119.26 120.19 3haz h ALA 553 Ca 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3haz h ALA 553 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3haz h ALA 553 CO -0.02 0.03 0.19 0.28 0.00 0.00 0.00 179.25 179.73 3haz h VAL 554 N 0.41 1.19 -0.64 0.00 2.07 -1.11 0.13 116.25 118.29 3haz h VAL 554 Ca 0.11 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3haz h VAL 554 Cb 0.16 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3haz h VAL 554 CO -0.01 0.22 0.42 0.00 0.02 0.00 0.00 177.57 178.21 3haz h ALA 555 N 1.04 0.82 -0.41 1.67 0.00 -1.08 0.30 119.26 121.59 3haz h ALA 555 Ca 0.15 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3haz h ALA 555 Cb 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3haz h ALA 555 CO -0.02 0.26 0.02 0.00 0.00 0.00 0.00 179.25 179.52 3haz h ALA 556 N 1.23 0.55 -0.73 0.00 0.00 -0.69 -1.68 119.26 117.94 3haz h ALA 556 Ca 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3haz h ALA 556 Cb -0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3haz h ALA 556 CO -0.05 0.32 0.43 0.00 0.00 0.00 0.00 179.25 179.95 3haz h ALA 557 N 0.90 0.93 -0.86 0.00 0.00 -0.43 -2.37 119.26 117.43 3haz h ALA 557 Ca 0.12 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3haz h ALA 557 Cb 0.45 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 3haz h ALA 557 CO 0.02 0.41 0.54 -0.09 0.00 0.00 0.00 179.25 180.13 3haz h ARG 558 N 1.00 0.99 -0.13 0.00 2.43 -0.09 -1.64 114.38 116.94 3haz h ARG 558 Ca 0.26 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.29 3haz h ARG 558 Cb -0.02 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 3haz h ARG 558 CO -0.05 0.65 -0.27 0.00 -1.51 0.00 0.00 179.97 178.79 3haz h ALA 559 N 1.38 1.30 0.00 2.80 0.00 -1.01 -2.99 119.26 120.73 3haz h ALA 559 Ca 0.36 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3haz h ALA 559 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3haz h ALA 559 CO -0.15 0.48 -0.18 0.41 0.00 0.00 0.00 179.25 179.81 3haz n GLY 560 N -0.51 -1.46 0.23 0.00 0.00 -0.68 -4.02 105.19 98.74 3haz n GLY 560 Ca -0.01 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 3haz n GLY 560 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3haz h PHE 561 N 0.00 0.77 -0.33 1.61 3.57 -1.23 -2.59 116.94 118.73 3haz h PHE 561 Ca 0.00 -0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.50 3haz h PHE 561 Cb 0.55 -0.22 -0.07 0.00 2.79 0.00 0.00 35.95 38.99 3haz h PHE 561 CO 0.00 0.67 -0.17 0.00 -2.23 0.00 0.00 178.31 176.58 3haz h ALA 562 N 1.01 0.09 -0.32 2.41 0.00 -1.75 0.51 119.26 121.21 3haz h ALA 562 Ca 0.16 0.12 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 3haz h ALA 562 Cb 0.25 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3haz h ALA 562 CO -0.01 -0.55 -0.48 0.78 0.00 0.00 0.00 179.25 178.99 3haz h GLY 563 N -0.12 0.97 0.81 0.00 0.00 -1.81 -3.05 103.07 99.87 3haz h GLY 563 Ca 0.17 -1.08 -0.04 0.00 0.00 0.00 0.00 47.33 46.38 3haz h GLY 563 CO -0.41 0.97 -0.04 -0.25 0.00 0.00 0.00 176.54 176.81 3haz h TRP 564 N 0.68 0.43 -0.33 5.60 2.91 -1.18 -1.82 115.95 122.23 3haz h TRP 564 Ca 0.03 -0.09 0.07 0.00 1.13 0.00 0.00 58.89 60.03 3haz h TRP 564 Cb 1.09 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 29.61 3haz h TRP 564 CO 0.07 0.62 0.23 0.66 -1.03 0.00 0.00 178.44 178.99 3haz h SER 565 N 0.11 0.11 0.07 2.65 4.64 -0.92 -1.06 113.55 119.16 3haz h SER 565 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3haz h SER 565 Cb 0.48 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3haz h SER 565 CO 0.02 0.07 -0.20 0.54 -0.87 0.00 0.00 176.83 176.39 3haz n ARG 566 N -4.47 1.37 -2.12 4.77 1.74 -1.08 -4.77 116.66 112.10 3haz n ARG 566 Ca 0.04 -0.96 -0.42 0.00 -0.77 0.00 0.00 57.85 55.74 3haz n ARG 566 Cb 0.31 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.24 3haz n ARG 566 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3haz s THR 567 N -2.29 3.14 0.31 0.55 2.01 -0.40 -4.96 115.64 114.00 3haz s THR 567 Ca 0.27 0.82 -0.27 0.00 0.31 0.00 0.00 61.69 62.82 3haz s THR 567 Cb 0.20 -3.53 -0.13 0.00 0.01 0.00 0.00 72.50 69.04 3haz s THR 567 CO 0.45 0.07 1.02 -2.65 -0.69 0.00 0.00 174.62 172.82 3haz n PRO 568 N 3.87 1.40 -0.29 4.92 -0.02 -1.26 -4.77 135.00 138.85 3haz n PRO 568 Ca 0.12 0.49 0.07 0.00 -2.02 0.00 0.00 63.50 62.15 3haz n PRO 568 Cb 0.41 -1.90 0.28 0.00 -0.02 0.00 0.00 33.50 32.28 3haz n PRO 568 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3haz h ALA 569 N 1.96 1.61 -0.50 3.55 0.00 -1.91 -0.78 119.26 123.18 3haz h ALA 569 Ca -0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 3haz h ALA 569 Cb 1.34 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3haz h ALA 569 CO 0.60 0.22 0.28 0.78 0.00 0.00 0.00 179.25 181.12 3haz h GLY 570 N 0.92 0.72 1.33 0.00 0.00 -1.92 0.13 103.07 104.26 3haz h GLY 570 Ca 0.41 -0.30 -0.21 0.00 0.00 0.00 0.00 47.33 47.23 3haz h GLY 570 CO -0.18 0.29 -0.77 -2.22 0.00 0.00 0.00 176.54 173.67 3haz h ILE 571 N 0.69 1.31 -0.40 2.60 2.04 -1.51 -1.09 117.51 121.15 3haz h ILE 571 Ca 0.18 -2.04 -0.04 0.00 1.00 0.00 0.00 64.86 63.96 3haz h ILE 571 Cb 0.01 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 3haz h ILE 571 CO -0.03 0.63 0.08 0.03 0.00 0.00 0.00 178.15 178.87 3haz h ARG 572 N 0.44 0.65 -0.91 2.37 3.08 -0.87 -2.56 114.38 116.59 3haz h ARG 572 Ca -0.05 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 3haz h ARG 572 Cb 1.38 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.30 3haz h ARG 572 CO 0.15 0.68 0.56 0.00 -1.07 0.00 0.00 179.97 180.29 3haz h ALA 573 N 0.94 1.26 -0.28 0.04 0.00 -0.71 -1.91 119.26 118.61 3haz h ALA 573 Ca 0.12 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3haz h ALA 573 Cb 0.33 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3haz h ALA 573 CO 0.00 0.64 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 3haz h ALA 574 N 1.36 1.45 -0.16 0.00 0.00 -1.03 -1.03 119.26 119.84 3haz h ALA 574 Ca 0.33 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3haz h ALA 574 Cb -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3haz h ALA 574 CO -0.06 0.39 -0.00 0.00 0.00 0.00 0.00 179.25 179.58 3haz h ALA 575 N 1.57 0.22 -0.62 0.00 0.00 -0.94 -1.12 119.26 118.37 3haz h ALA 575 Ca 0.09 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3haz h ALA 575 Cb 0.31 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 3haz h ALA 575 CO 0.01 -0.08 0.31 -0.07 0.00 0.00 0.00 179.25 179.43 3haz h LEU 576 N 0.03 0.44 -1.00 0.00 4.07 -1.08 -0.96 115.31 116.81 3haz h LEU 576 Ca 0.05 0.04 -0.10 0.00 0.08 0.00 0.00 57.88 57.95 3haz h LEU 576 Cb 0.38 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 3haz h LEU 576 CO 0.01 0.28 -0.40 -0.33 -1.08 0.00 0.00 178.44 176.92 3haz h GLU 577 N 0.58 0.20 -0.07 1.13 5.08 -1.07 -0.90 114.58 119.53 3haz h GLU 577 Ca 0.29 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.41 3haz h GLU 577 Cb 0.23 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3haz h GLU 577 CO -0.21 0.57 -0.58 0.37 -1.00 0.00 0.00 179.01 178.16 3haz h GLN 578 N 0.17 0.23 -0.27 2.33 5.75 -0.86 -2.12 115.11 120.34 3haz h GLN 578 Ca 0.02 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.34 3haz h GLN 578 Cb 0.78 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.34 3haz h GLN 578 CO 0.06 0.75 0.07 0.00 -2.65 0.00 0.00 178.83 177.06 3haz h ALA 579 N 1.22 0.35 -0.51 3.38 0.00 -0.41 -0.91 119.26 122.38 3haz h ALA 579 Ca -0.00 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.82 3haz h ALA 579 Cb 1.08 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 3haz h ALA 579 CO 0.09 0.00 0.15 0.00 0.00 0.00 0.00 179.25 179.49 3haz h ALA 580 N 0.90 0.61 -0.65 0.00 0.00 -1.13 -0.02 119.26 118.96 3haz h ALA 580 Ca 0.08 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.13 3haz h ALA 580 Cb 0.27 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3haz h ALA 580 CO -0.00 -0.25 0.36 1.25 0.00 0.00 0.00 179.25 180.61 3haz h HIS 581 N 0.31 0.66 -0.23 0.00 6.17 -1.02 -2.41 115.15 118.63 3haz h HIS 581 Ca 0.25 0.02 -0.15 0.00 0.71 0.00 0.00 60.37 61.20 3haz h HIS 581 Cb 0.30 -0.20 -0.01 0.00 2.52 0.00 0.00 27.41 30.02 3haz h HIS 581 CO -0.19 0.32 -0.47 -0.07 0.71 0.00 0.00 177.93 178.23 3haz h LEU 582 N 0.67 0.67 0.11 0.26 3.38 -0.55 -1.70 115.31 118.16 3haz h LEU 582 Ca 0.29 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3haz h LEU 582 Cb 0.17 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3haz h LEU 582 CO -0.18 1.04 -0.15 -0.07 0.09 0.00 0.00 178.44 179.17 3haz h LEU 583 N 0.49 -0.41 -0.57 1.67 3.38 -0.68 -0.12 115.31 119.06 3haz h LEU 583 Ca 0.03 0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 3haz h LEU 583 Cb 1.01 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3haz h LEU 583 CO 0.09 -0.22 -0.35 -0.33 0.09 0.00 0.00 178.44 177.72 3haz h GLU 584 N -0.31 0.76 -0.25 1.13 5.08 -1.43 -0.33 114.58 119.24 3haz h GLU 584 Ca 0.02 -0.37 0.02 0.00 -1.00 0.00 0.00 59.36 58.03 3haz h GLU 584 Cb 0.31 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3haz h GLU 584 CO -0.07 0.99 0.17 1.03 -1.00 0.00 0.00 179.01 180.13 3haz h SER 585 N 0.64 0.22 -0.25 1.42 0.87 -1.13 -2.60 113.55 112.71 3haz h SER 585 Ca 0.06 -0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.51 3haz h SER 585 Cb 0.89 -0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 62.73 3haz h SER 585 CO 0.08 0.15 -0.13 0.54 -0.53 0.00 0.00 176.83 176.94 3haz n ARG 586 N -4.50 1.91 -0.33 2.24 1.74 -0.07 -4.80 116.66 112.85 3haz n ARG 586 Ca 0.01 -3.10 0.12 0.00 -0.77 0.00 0.00 57.85 54.11 3haz n ARG 586 Cb 0.13 -1.76 0.34 0.00 -1.02 0.00 0.00 32.46 30.15 3haz n ARG 586 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3haz h SER 587 N 1.04 0.74 -0.50 0.55 4.64 -0.66 -1.62 113.55 117.74 3haz h SER 587 Ca 0.13 0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 3haz h SER 587 Cb 1.47 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.46 3haz h SER 587 CO 0.27 0.32 0.22 0.00 -0.87 0.00 0.00 176.83 176.78 3haz h ALA 588 N 1.61 0.64 -0.14 5.18 0.00 -1.87 0.41 119.26 125.09 3haz h ALA 588 Ca 0.52 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.31 3haz h ALA 588 Cb 0.82 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3haz h ALA 588 CO -0.30 0.22 0.06 1.25 0.00 0.00 0.00 179.25 180.49 3haz h HIS 589 N 0.66 0.12 -0.13 0.00 6.17 -1.63 0.61 115.15 120.95 3haz h HIS 589 Ca 0.17 0.01 -0.17 0.00 0.71 0.00 0.00 60.37 61.09 3haz h HIS 589 Cb 0.15 -0.03 -0.01 0.00 2.52 0.00 0.00 27.41 30.04 3haz h HIS 589 CO -0.00 0.07 -0.63 0.74 0.71 0.00 0.00 177.93 178.82 3haz h PHE 590 N 0.14 0.60 -0.81 5.26 -1.00 -1.19 -1.99 116.94 117.96 3haz h PHE 590 Ca 0.06 -0.24 -0.04 0.00 2.81 0.00 0.00 57.97 60.56 3haz h PHE 590 Cb 0.02 -0.11 -0.04 0.00 3.61 0.00 0.00 35.95 39.44 3haz h PHE 590 CO -0.10 0.97 0.35 0.82 -1.61 0.00 0.00 178.31 178.74 3haz h ILE 591 N 0.34 1.26 -0.63 -0.55 2.04 -0.06 -0.58 117.51 119.34 3haz h ILE 591 Ca -0.01 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.07 3haz h ILE 591 Cb 1.18 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 3haz h ILE 591 CO 0.11 0.33 0.42 0.00 0.00 0.00 0.00 178.15 179.00 3haz h ALA 592 N 1.19 0.80 -0.49 1.87 0.00 -0.62 -1.37 119.26 120.62 3haz h ALA 592 Ca 0.27 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3haz h ALA 592 Cb 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3haz h ALA 592 CO -0.03 0.23 0.20 -0.07 0.00 0.00 0.00 179.25 179.58 3haz h LEU 593 N 0.85 0.68 -1.44 0.00 4.07 -1.02 -0.96 115.31 117.49 3haz h LEU 593 Ca 0.23 -0.16 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 3haz h LEU 593 Cb -0.10 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.44 3haz h LEU 593 CO -0.05 0.66 0.30 -0.07 -1.08 0.00 0.00 178.44 178.20 3haz h LEU 594 N 0.66 0.60 0.01 1.67 3.38 -0.70 0.24 115.31 121.16 3haz h LEU 594 Ca 0.17 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.94 3haz h LEU 594 Cb 0.19 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.80 3haz h LEU 594 CO -0.01 0.46 -0.67 1.56 0.09 0.00 0.00 178.44 179.87 3haz h GLN 595 N 0.69 0.44 0.21 1.13 4.20 -1.01 -1.45 115.11 119.33 3haz h GLN 595 Ca 0.18 -0.48 -0.01 0.00 0.06 0.00 0.00 58.65 58.40 3haz h GLN 595 Cb -0.02 0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3haz h GLN 595 CO -0.03 1.14 -0.10 0.00 -0.67 0.00 0.00 178.83 179.16 3haz h ARG 596 N -0.06 -0.27 0.13 1.46 2.47 -0.85 -0.93 114.38 116.33 3haz h ARG 596 Ca -0.09 0.02 -0.28 0.00 -1.26 0.00 0.00 59.98 58.37 3haz h ARG 596 Cb 1.38 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.76 3haz h ARG 596 CO 0.13 0.07 -1.34 1.49 0.56 0.00 0.00 179.97 180.89 3haz h GLU 597 N -0.95 0.27 0.00 0.04 4.81 -0.72 -3.35 114.58 114.67 3haz h GLU 597 Ca -0.03 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3haz h GLU 597 Cb 0.47 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.02 3haz h GLU 597 CO 0.05 1.18 -1.09 0.41 -0.73 0.00 0.00 179.01 178.83 3haz n GLY 598 N 1.57 -1.40 2.28 1.92 0.00 -0.63 -4.89 105.19 104.04 3haz n GLY 598 Ca -0.11 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 3haz n GLY 598 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3haz n GLY 599 N 1.21 0.45 3.82 -0.02 0.00 -0.35 -4.91 105.19 105.39 3haz n GLY 599 Ca -0.00 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 3haz n GLY 599 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3haz s LYS 600 N -3.95 4.18 0.99 1.61 1.02 -0.95 -4.30 119.74 118.34 3haz s LYS 600 Ca 0.00 0.74 -0.12 0.00 0.02 0.00 0.00 55.97 56.61 3haz s LYS 600 Cb 0.00 -3.05 0.19 0.00 -0.52 0.00 0.00 37.83 34.45 3haz s LYS 600 CO 0.00 0.52 1.08 0.95 -0.92 0.00 0.00 175.35 176.98 3haz s THR 601 N -1.33 2.30 0.20 2.17 -4.23 -1.26 -4.30 115.64 109.18 3haz s THR 601 Ca 0.36 0.10 -0.12 0.00 -1.18 0.00 0.00 61.69 60.85 3haz s THR 601 Cb -0.18 -2.36 0.12 0.00 1.34 0.00 0.00 72.50 71.42 3haz s THR 601 CO 0.20 -0.13 1.85 0.25 -0.54 0.00 0.00 174.62 176.25 3haz h LEU 602 N -1.98 0.71 -0.78 4.79 5.85 -1.90 -1.05 115.31 120.95 3haz h LEU 602 Ca -0.52 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.06 3haz h LEU 602 Cb 1.30 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 3haz h LEU 602 CO 0.51 0.50 -0.49 -0.78 -0.34 0.00 0.00 178.44 177.84 3haz h ASP 603 N 0.84 0.31 -0.14 1.25 3.58 -1.96 -1.18 116.42 119.12 3haz h ASP 603 Ca 0.25 -0.15 -0.16 0.00 0.42 0.00 0.00 57.03 57.39 3haz h ASP 603 Cb -0.05 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 3haz h ASP 603 CO -0.07 0.75 -0.46 0.44 -2.88 0.00 0.00 179.24 177.02 3haz h ASP 604 N 0.23 0.76 0.10 2.28 3.32 -1.82 -1.32 116.42 119.96 3haz h ASP 604 Ca 0.01 -0.37 -0.00 0.00 0.02 0.00 0.00 57.03 56.69 3haz h ASP 604 Cb 0.95 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.29 3haz h ASP 604 CO 0.08 1.10 -0.05 0.00 -1.72 0.00 0.00 179.24 178.65 3haz h ALA 605 N 0.92 -0.13 -0.64 3.45 0.00 -1.02 -1.16 119.26 120.69 3haz h ALA 605 Ca 0.03 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.82 3haz h ALA 605 Cb 1.01 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 3haz h ALA 605 CO 0.10 -0.38 0.32 1.25 0.00 0.00 0.00 179.25 180.54 3haz h LEU 606 N -0.51 0.45 -0.97 0.00 5.85 -1.26 0.30 115.31 119.17 3haz h LEU 606 Ca -0.01 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3haz h LEU 606 Cb 0.42 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 3haz h LEU 606 CO 0.02 0.29 0.62 -1.28 -0.34 0.00 0.00 178.44 177.75 3haz h SER 607 N 0.59 1.13 -0.39 1.25 0.87 -1.19 -0.51 113.55 115.31 3haz h SER 607 Ca 0.30 -0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.69 3haz h SER 607 Cb 0.24 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 3haz h SER 607 CO -0.21 0.84 -0.23 -0.08 -0.53 0.00 0.00 176.83 176.61 3haz h GLU 608 N 1.32 0.84 -0.21 2.24 4.81 -0.30 -1.33 114.58 121.94 3haz h GLU 608 Ca 0.35 -0.39 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 3haz h GLU 608 Cb -0.12 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 3haz h GLU 608 CO -0.07 1.03 -0.06 1.25 -0.73 0.00 0.00 179.01 180.42 3haz h LEU 609 N 0.64 -0.22 -0.46 1.64 7.12 -0.63 -0.14 115.31 123.27 3haz h LEU 609 Ca 0.08 0.07 0.07 0.00 0.13 0.00 0.00 57.88 58.22 3haz h LEU 609 Cb 0.80 0.14 -0.06 0.00 -0.53 0.00 0.00 40.66 41.01 3haz h LEU 609 CO 0.07 -0.08 0.14 0.03 -0.13 0.00 0.00 178.44 178.46 3haz h ARG 610 N -0.01 0.28 -0.88 1.25 3.08 -0.98 -2.41 114.38 114.71 3haz h ARG 610 Ca 0.11 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.16 3haz h ARG 610 Cb 0.17 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 3haz h ARG 610 CO -0.23 0.19 0.58 1.49 -1.07 0.00 0.00 179.97 180.93 3haz h GLU 611 N 0.29 1.12 -0.23 0.04 4.81 -0.67 0.10 114.58 120.05 3haz h GLU 611 Ca 0.22 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 3haz h GLU 611 Cb 0.25 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3haz h GLU 611 CO -0.25 0.74 0.14 0.00 -0.73 0.00 0.00 179.01 178.91 3haz h ALA 612 N 1.34 0.29 -0.42 2.92 0.00 -0.63 0.63 119.26 123.38 3haz h ALA 612 Ca 0.33 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 3haz h ALA 612 Cb -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3haz h ALA 612 CO -0.09 -0.25 -0.12 0.00 0.00 0.00 0.00 179.25 178.78 3haz h ALA 613 N 1.09 1.00 -0.71 0.00 0.00 -1.03 -2.67 119.26 116.94 3haz h ALA 613 Ca 0.09 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3haz h ALA 613 Cb -0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3haz h ALA 613 CO -0.03 0.60 0.34 -0.44 0.00 0.00 0.00 179.25 179.72 3haz h ASP 614 N 0.69 0.93 -0.44 0.00 3.32 -0.44 -2.21 116.42 118.26 3haz h ASP 614 Ca 0.11 -0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.08 3haz h ASP 614 Cb 0.60 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.86 3haz h ASP 614 CO 0.04 0.80 0.18 -0.26 -1.72 0.00 0.00 179.24 178.28 3haz h PHE 615 N 0.99 0.33 -0.22 4.55 0.05 -0.59 0.11 116.94 122.15 3haz h PHE 615 Ca 0.24 0.02 0.00 0.00 3.82 0.00 0.00 57.97 62.06 3haz h PHE 615 Cb 0.11 -0.08 -0.01 0.00 2.00 0.00 0.00 35.95 37.97 3haz h PHE 615 CO 0.01 0.14 0.14 0.00 -0.18 0.00 0.00 178.31 178.42 3haz h ARG 617 N 0.29 0.77 -0.09 0.00 3.08 -1.19 -1.00 114.38 116.24 3haz h ARG 617 Ca 0.08 -0.47 -0.03 0.00 0.07 0.00 0.00 59.98 59.62 3haz h ARG 617 Cb -0.02 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 3haz h ARG 617 CO -0.02 1.10 -0.07 -0.92 -1.07 0.00 0.00 179.97 178.99 3haz h TYR 618 N 0.59 0.25 -0.21 3.04 3.20 -0.88 -0.85 116.97 122.12 3haz h TYR 618 Ca 0.02 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.76 3haz h TYR 618 Cb 1.11 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 3haz h TYR 618 CO 0.06 0.62 -0.10 1.88 -1.64 0.00 0.00 178.16 178.98 3haz h TYR 619 N -0.18 0.35 -0.52 -3.82 0.05 -1.09 0.56 116.97 112.31 3haz h TYR 619 Ca 0.02 -0.04 -0.03 0.00 0.05 0.00 0.00 58.73 58.73 3haz h TYR 619 Cb 0.57 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.19 3haz h TYR 619 CO 0.08 0.44 0.22 0.00 -1.05 0.00 0.00 178.16 177.85 3haz h ALA 620 N 1.58 0.67 -0.17 3.88 0.00 -1.02 0.38 119.26 124.58 3haz h ALA 620 Ca 0.06 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3haz h ALA 620 Cb 0.38 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3haz h ALA 620 CO 0.02 0.27 -0.10 0.00 0.00 0.00 0.00 179.25 179.44 3haz h ALA 621 N 1.07 0.24 -0.28 0.00 0.00 -0.54 -2.15 119.26 117.60 3haz h ALA 621 Ca 0.17 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3haz h ALA 621 Cb 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3haz h ALA 621 CO -0.02 0.07 -0.18 1.96 0.00 0.00 0.00 179.25 181.08 3haz h GLN 622 N 0.04 0.50 -0.71 0.00 1.08 -0.89 -2.97 115.11 112.16 3haz h GLN 622 Ca 0.04 -0.16 0.05 0.00 -1.45 0.00 0.00 58.65 57.12 3haz h GLN 622 Cb 0.59 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.92 3haz h GLN 622 CO 0.03 0.66 0.42 0.78 -0.95 0.00 0.00 178.83 179.77 3haz h GLY 623 N 0.97 1.04 1.18 3.46 0.00 0.01 -0.33 103.07 109.40 3haz h GLY 623 Ca 0.08 -0.30 -0.12 0.00 0.00 0.00 0.00 47.33 46.98 3haz h GLY 623 CO 0.04 0.22 -0.20 3.21 0.00 0.00 0.00 176.54 179.80 3haz h ARG 624 N 0.79 0.94 -0.46 4.80 3.08 -1.26 0.21 114.38 122.47 3haz h ARG 624 Ca 0.30 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 3haz h ARG 624 Cb 0.12 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3haz h ARG 624 CO -0.15 1.05 0.17 0.87 -1.07 0.00 0.00 179.97 180.83 3haz h LYS 625 N 0.81 0.70 0.15 0.04 1.57 -1.32 -0.68 116.57 117.85 3haz h LYS 625 Ca 0.11 -0.14 -0.23 0.00 -1.87 0.00 0.00 60.65 58.52 3haz h LYS 625 Cb 0.76 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 32.98 3haz h LYS 625 CO 0.06 0.65 -1.08 1.25 -0.57 0.00 0.00 179.45 179.77 3haz h LEU 626 N 0.61 0.50 -1.69 2.94 5.85 -0.95 -3.39 115.31 119.18 3haz h LEU 626 Ca 0.15 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 57.95 3haz h LEU 626 Cb 0.23 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.09 3haz h LEU 626 CO -0.01 1.50 0.00 0.49 -0.34 0.00 0.00 178.44 180.08 3haz n PHE 627 N -4.01 0.06 -0.09 1.25 3.01 0.72 -4.60 117.46 113.80 3haz n PHE 627 Ca -0.17 -0.05 -0.11 0.00 1.01 0.00 0.00 57.45 58.13 3haz n PHE 627 Cb 0.88 -0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.38 3haz n PHE 627 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3haz h GLY 628 N 2.82 0.90 -2.96 1.37 0.00 -1.17 -3.42 103.07 100.61 3haz h GLY 628 Ca 0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 47.33 46.39 3haz h GLY 628 CO 0.00 0.80 -0.09 -1.35 0.00 0.00 0.00 176.54 175.90 3haz s SER 629 N -6.82 -0.20 0.91 0.19 1.04 -1.26 -4.92 113.70 102.64 3haz s SER 629 Ca -0.10 -0.41 -0.12 0.00 0.48 0.00 0.00 55.95 55.80 3haz s SER 629 Cb 0.12 0.49 0.14 0.00 0.10 0.00 0.00 66.02 66.86 3haz s SER 629 CO 0.86 -0.89 1.09 -1.83 0.98 0.00 0.00 173.24 173.45 3haz s GLU 630 N -3.83 1.14 -0.20 4.02 -1.05 -1.26 -4.97 118.70 112.55 3haz s GLU 630 Ca 0.05 0.84 -0.05 0.00 -0.15 0.00 0.00 54.97 55.66 3haz s GLU 630 Cb 0.02 -1.79 -0.03 0.00 -0.44 0.00 0.00 34.13 31.88 3haz s GLU 630 CO -0.09 -2.33 0.01 0.99 0.95 0.00 0.00 175.26 174.79 3haz s THR 631 N -2.91 4.06 0.01 1.83 2.01 0.21 -4.93 115.64 115.93 3haz s THR 631 Ca 0.64 -0.27 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 3haz s THR 631 Cb -0.18 -2.84 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 3haz s THR 631 CO 0.57 0.42 1.12 0.00 -0.69 0.00 0.00 174.62 176.05 3haz s ALA 632 N 0.98 3.34 -0.02 7.40 0.00 -1.26 -0.56 121.76 131.63 3haz s ALA 632 Ca 0.02 0.68 -0.06 0.00 0.00 0.00 0.00 51.96 52.60 3haz s ALA 632 Cb -0.14 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 3haz s ALA 632 CO 0.02 -0.44 0.23 -1.64 0.00 0.00 0.00 175.76 173.93 3haz s MET 633 N 1.31 3.53 0.37 0.00 -1.94 0.15 -4.96 119.30 117.76 3haz s MET 633 Ca 0.55 -0.13 -0.27 0.00 -1.71 0.00 0.00 55.69 54.14 3haz s MET 633 Cb -0.25 -3.11 -0.09 0.00 2.01 0.00 0.00 34.83 33.39 3haz s MET 633 CO 0.27 0.68 1.20 -1.25 -0.01 0.00 0.00 175.02 175.91 3haz s PRO 634 N -1.65 4.20 0.00 2.03 0.04 -1.26 -4.49 135.00 133.88 3haz s PRO 634 Ca 0.25 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.23 3haz s PRO 634 Cb -0.13 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.56 3haz s PRO 634 CO 0.14 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.37 3haz n GLY 635 N 0.76 2.10 3.83 0.56 0.00 -1.26 -5.02 105.19 106.16 3haz n GLY 635 Ca 0.02 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 3haz n GLY 635 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3haz s PRO 636 N -1.19 2.27 0.79 1.61 0.04 -1.26 -5.03 135.00 132.23 3haz s PRO 636 Ca 0.00 0.55 -0.12 0.00 0.04 0.00 0.00 61.00 61.48 3haz s PRO 636 Cb 0.00 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.67 3haz s PRO 636 CO 0.00 -1.47 1.13 -0.08 0.04 0.00 0.00 177.00 176.62 3haz s THR 637 N -3.24 2.73 -0.55 1.26 -1.32 -1.26 -3.52 115.64 109.75 3haz s THR 637 Ca 0.60 0.27 0.00 0.00 -1.21 0.00 0.00 61.69 61.36 3haz s THR 637 Cb -0.13 -2.64 0.00 0.00 -1.51 0.00 0.00 72.50 68.22 3haz s THR 637 CO 0.53 -0.28 0.00 0.61 -2.21 0.00 0.00 174.62 173.28 3haz n GLY 638 N -0.37 0.76 3.28 6.08 0.00 -1.26 -4.97 105.19 108.70 3haz n GLY 638 Ca 0.11 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 3haz n GLY 638 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3haz s GLU 639 N -2.04 0.44 -0.02 1.61 2.12 -1.23 -0.60 118.70 118.98 3haz s GLU 639 Ca 0.00 0.60 0.02 0.00 0.36 0.00 0.00 54.97 55.95 3haz s GLU 639 Cb 0.00 0.16 -0.03 0.00 0.26 0.00 0.00 34.13 34.52 3haz s GLU 639 CO 0.00 -0.08 -0.04 -1.54 -0.54 0.00 0.00 175.26 173.06 3haz s SER 640 N 0.50 4.81 -0.09 -1.70 1.04 -0.20 -4.73 113.70 113.33 3haz s SER 640 Ca -0.02 -0.06 -0.02 0.00 0.48 0.00 0.00 55.95 56.33 3haz s SER 640 Cb -0.04 -1.20 0.03 0.00 0.10 0.00 0.00 66.02 64.91 3haz s SER 640 CO -0.03 0.31 0.00 0.20 0.98 0.00 0.00 173.24 174.70 3haz s ASN 641 N -1.30 1.80 -0.06 7.02 0.01 -1.26 -1.03 114.94 120.13 3haz s ASN 641 Ca 0.17 -0.20 0.02 0.00 -0.71 0.00 0.00 52.86 52.14 3haz s ASN 641 Cb -0.11 -0.48 0.01 0.00 0.41 0.00 0.00 41.25 41.08 3haz s ASN 641 CO 0.07 -0.21 -0.11 0.00 -1.51 0.00 0.00 177.10 175.34 3haz s ALA 642 N 1.94 1.19 -0.20 0.60 0.00 -0.38 -0.67 121.76 124.23 3haz s ALA 642 Ca 0.04 -0.38 -0.09 0.00 0.00 0.00 0.00 51.96 51.53 3haz s ALA 642 Cb -0.13 -0.53 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 3haz s ALA 642 CO -0.06 0.11 0.11 -1.17 0.00 0.00 0.00 175.76 174.75 3haz s LEU 643 N 0.63 4.01 0.29 0.00 2.96 0.27 -0.97 118.68 125.88 3haz s LEU 643 Ca -0.13 0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.96 3haz s LEU 643 Cb -0.15 -2.04 -0.06 0.00 0.50 0.00 0.00 46.19 44.44 3haz s LEU 643 CO 0.03 0.15 -0.01 0.42 -1.32 0.00 0.00 176.35 175.62 3haz s THR 644 N 0.54 1.44 -0.12 3.68 -4.23 0.20 -0.62 115.64 116.54 3haz s THR 644 Ca 0.06 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3haz s THR 644 Cb -0.12 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 71.19 3haz s THR 644 CO 0.00 -0.21 -0.12 -0.04 -0.54 0.00 0.00 174.62 173.72 3haz s MET 645 N -3.79 1.91 0.21 3.99 1.00 -1.26 -0.97 119.30 120.39 3haz s MET 645 Ca 0.31 -0.42 0.10 0.00 0.00 0.00 0.00 55.69 55.69 3haz s MET 645 Cb 0.06 -1.78 -0.04 0.00 0.00 0.00 0.00 34.83 33.06 3haz s MET 645 CO 0.13 -0.19 -0.17 1.03 0.00 0.00 0.00 175.02 175.82 3haz s ARG 646 N 1.39 1.78 0.85 2.03 0.52 0.50 -4.88 118.95 121.14 3haz s ARG 646 Ca 0.01 -1.46 -0.13 0.00 -0.52 0.00 0.00 55.73 53.63 3haz s ARG 646 Cb -0.13 -1.96 0.08 0.00 0.52 0.00 0.00 34.95 33.45 3haz s ARG 646 CO -0.06 0.40 0.98 0.41 0.02 0.00 0.00 175.30 177.05 3haz n GLY 647 N -0.01 -0.60 0.11 -3.53 0.00 -1.12 -0.27 105.19 99.78 3haz n GLY 647 Ca -0.10 -0.57 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 3haz n GLY 647 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3haz n ARG 648 N -2.97 0.69 0.00 1.61 1.74 -1.25 -4.56 116.66 111.92 3haz n ARG 648 Ca 0.12 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 3haz n ARG 648 Cb 0.51 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 3haz n ARG 648 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3haz n GLY 649 N 1.81 -0.04 3.59 -0.13 0.00 -1.26 -4.87 105.19 104.29 3haz n GLY 649 Ca -0.27 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 3haz n GLY 649 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3haz s VAL 650 N -1.42 5.10 -0.04 1.61 1.01 -1.26 -2.09 120.40 123.31 3haz s VAL 650 Ca 0.00 0.60 -0.14 0.00 0.00 0.00 0.00 61.98 62.43 3haz s VAL 650 Cb 0.00 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 3haz s VAL 650 CO 0.00 0.02 0.39 -0.36 0.00 0.00 0.00 175.10 175.15 3haz s PHE 651 N 2.24 3.67 -0.24 5.22 0.08 0.15 -0.40 117.98 128.70 3haz s PHE 651 Ca 0.18 0.91 -0.15 0.00 0.12 0.00 0.00 56.93 57.99 3haz s PHE 651 Cb -0.16 -2.30 -0.04 0.00 -0.57 0.00 0.00 43.02 39.96 3haz s PHE 651 CO 0.11 0.56 0.38 0.08 -0.10 0.00 0.00 175.22 176.24 3haz s VAL 652 N -0.73 5.19 -0.20 -0.44 1.01 -0.57 -0.78 120.40 123.88 3haz s VAL 652 Ca 0.23 0.62 -0.04 0.00 0.00 0.00 0.00 61.98 62.79 3haz s VAL 652 Cb -0.16 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3haz s VAL 652 CO 0.11 0.20 -0.02 0.00 0.00 0.00 0.00 175.10 175.39 3haz s ALA 653 N 1.73 2.92 -0.12 5.51 0.00 -0.11 -1.32 121.76 130.37 3haz s ALA 653 Ca 0.17 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 51.10 3haz s ALA 653 Cb -0.15 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.28 3haz s ALA 653 CO 0.09 -0.21 -0.18 0.42 0.00 0.00 0.00 175.76 175.88 3haz s ILE 654 N 1.11 1.72 0.21 0.00 1.01 -0.44 -0.31 121.20 124.49 3haz s ILE 654 Ca 0.02 -0.77 0.09 0.00 0.00 0.00 0.00 60.65 59.98 3haz s ILE 654 Cb -0.15 -1.55 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 3haz s ILE 654 CO 0.01 0.48 -0.16 -0.94 0.00 0.00 0.00 174.94 174.33 3haz s SER 655 N 0.95 2.74 0.67 3.58 1.04 -1.12 -1.84 113.70 119.73 3haz s SER 655 Ca -0.06 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.39 3haz s SER 655 Cb -0.15 -0.16 0.10 0.00 0.10 0.00 0.00 66.02 65.91 3haz s SER 655 CO -0.02 -0.11 0.93 -2.16 0.98 0.00 0.00 173.24 172.86 3haz s PRO 656 N -3.43 1.93 0.13 4.02 0.04 -1.20 -2.16 135.00 134.33 3haz s PRO 656 Ca 0.22 -1.07 0.24 0.00 0.04 0.00 0.00 61.00 60.43 3haz s PRO 656 Cb -0.02 -2.39 0.32 0.00 0.04 0.00 0.00 34.50 32.45 3haz s PRO 656 CO 0.08 -1.23 1.31 0.11 0.04 0.00 0.00 177.00 177.30 3haz h TRP 657 N -0.34 0.00 0.00 0.56 5.08 -1.93 -3.37 115.95 115.96 3haz h TRP 657 Ca -0.37 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.46 3haz h TRP 657 Cb 1.28 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.42 3haz h TRP 657 CO -0.01 0.00 -0.76 -2.95 -1.28 0.00 0.00 178.44 173.44 3haz h ASN 658 N 0.00 0.00 -2.22 0.11 -1.07 -1.96 -3.31 115.58 107.12 3haz h ASN 658 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 56.30 55.79 3haz h ASN 658 Cb 0.77 0.00 -0.40 0.00 -2.07 0.00 0.00 38.32 36.62 3haz h ASN 658 CO 0.00 0.61 -0.85 0.49 0.07 0.00 0.00 177.43 177.74 3haz n PHE 659 N -3.19 1.37 0.31 4.14 3.01 -1.26 -4.98 117.46 116.86 3haz n PHE 659 Ca -0.01 -3.82 0.16 0.00 1.01 0.00 0.00 57.45 54.80 3haz n PHE 659 Cb 0.79 -0.38 0.70 0.00 -0.01 0.00 0.00 39.48 40.58 3haz n PHE 659 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3haz h PRO 660 N 4.40 0.00 0.00 -1.08 0.11 -1.72 -2.81 132.00 130.91 3haz h PRO 660 Ca 0.15 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.05 3haz h PRO 660 Cb 0.79 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.87 3haz h PRO 660 CO 0.61 0.00 -1.59 -0.11 -0.21 0.00 0.00 178.00 176.70 3haz n LEU 661 N -2.80 1.46 -0.03 2.35 7.94 -1.26 -4.42 117.00 120.24 3haz n LEU 661 Ca 0.00 0.25 -0.16 0.00 -1.11 0.00 0.00 56.01 54.99 3haz n LEU 661 Cb 0.24 -0.58 -0.09 0.00 0.53 0.00 0.00 43.42 43.52 3haz n LEU 661 CO 0.23 0.11 0.40 0.00 -1.11 0.00 0.00 177.39 177.02 3haz h ALA 662 N -0.68 0.19 -0.16 1.96 0.00 -1.80 -0.14 119.26 118.62 3haz h ALA 662 Ca -0.32 -0.48 -0.19 0.00 0.00 0.00 0.00 54.91 53.92 3haz h ALA 662 Cb 1.17 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3haz h ALA 662 CO -0.19 0.32 -0.67 0.82 0.00 0.00 0.00 179.25 179.53 3haz h ILE 663 N 0.05 1.32 0.04 0.00 2.04 -1.82 0.38 117.51 119.51 3haz h ILE 663 Ca -0.03 -1.95 0.03 0.00 1.00 0.00 0.00 64.86 63.92 3haz h ILE 663 Cb 1.08 1.92 -0.05 0.00 -0.74 0.00 0.00 36.82 39.03 3haz h ILE 663 CO 0.09 0.61 -0.31 0.15 0.00 0.00 0.00 178.15 178.69 3haz h PHE 664 N 0.44 -0.84 -0.14 1.37 3.57 -1.60 -2.10 116.94 117.64 3haz h PHE 664 Ca -0.02 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.34 3haz h PHE 664 Cb 1.26 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 40.36 3haz h PHE 664 CO 0.06 -0.41 -0.62 -0.07 -2.23 0.00 0.00 178.31 175.05 3haz h LEU 665 N -0.48 0.55 0.13 0.59 3.38 -0.92 -2.50 115.31 116.07 3haz h LEU 665 Ca 0.05 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.72 3haz h LEU 665 Cb 0.55 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3haz h LEU 665 CO -0.24 1.04 -0.26 1.23 0.09 0.00 0.00 178.44 180.30 3haz h GLY 666 N 1.14 -0.49 1.00 0.83 0.00 -0.15 0.58 103.07 105.99 3haz h GLY 666 Ca -0.01 0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 3haz h GLY 666 CO 0.11 -0.22 0.24 1.46 0.00 0.00 0.00 176.54 178.14 3haz h GLN 667 N -0.47 0.90 -0.03 4.80 4.20 -1.40 -2.17 115.11 120.95 3haz h GLN 667 Ca 0.03 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 3haz h GLN 667 Cb 0.49 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 3haz h GLN 667 CO -0.14 0.76 -0.01 0.28 -0.67 0.00 0.00 178.83 179.05 3haz h VAL 668 N 0.84 1.31 -0.01 -0.54 2.07 -1.23 -2.70 116.25 115.99 3haz h VAL 668 Ca 0.20 -0.95 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 3haz h VAL 668 Cb 0.20 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3haz h VAL 668 CO -0.02 0.25 -0.38 0.71 0.02 0.00 0.00 177.57 178.15 3haz h THR 669 N -0.33 1.28 0.20 2.57 1.35 -0.91 -0.98 112.91 116.10 3haz h THR 669 Ca 0.01 -1.33 -0.01 0.00 -0.55 0.00 0.00 66.41 64.53 3haz h THR 669 Cb 0.41 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 3haz h THR 669 CO 0.00 0.38 -0.10 0.00 -0.25 0.00 0.00 175.52 175.56 3haz h ALA 670 N 1.60 -0.27 -0.20 6.62 0.00 -1.36 0.22 119.26 125.87 3haz h ALA 670 Ca -0.00 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3haz h ALA 670 Cb 0.69 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3haz h ALA 670 CO 0.05 -0.59 0.07 0.00 0.00 0.00 0.00 179.25 178.78 3haz h ALA 671 N 0.38 0.22 -0.50 0.00 0.00 -1.25 -1.82 119.26 116.29 3haz h ALA 671 Ca -0.03 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3haz h ALA 671 Cb 0.30 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3haz h ALA 671 CO 0.05 -0.36 0.26 -0.07 0.00 0.00 0.00 179.25 179.13 3haz h LEU 672 N 0.16 0.38 -1.37 0.00 3.38 -1.16 -1.93 115.31 114.77 3haz h LEU 672 Ca 0.09 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3haz h LEU 672 Cb 0.05 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3haz h LEU 672 CO -0.09 0.26 0.25 -0.03 0.09 0.00 0.00 178.44 178.93 3haz h MET 673 N 0.51 0.68 0.00 1.13 4.05 -0.12 -1.05 114.93 120.13 3haz h MET 673 Ca 0.22 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 3haz h MET 673 Cb 0.12 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.78 3haz h MET 673 CO -0.15 0.52 0.00 0.00 0.23 0.00 0.00 176.91 177.51 3haz n ALA 674 N -2.46 2.04 0.00 0.39 0.00 -0.72 -4.86 120.51 114.90 3haz n ALA 674 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3haz n ALA 674 Cb 0.11 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3haz n ALA 674 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3haz n GLY 675 N 0.59 1.03 3.88 0.00 0.00 -0.40 -2.78 105.19 107.53 3haz n GLY 675 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 3haz n GLY 675 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3haz s ASN 676 N -2.00 6.58 0.58 1.61 0.01 -0.76 -3.42 114.94 117.54 3haz s ASN 676 Ca 0.00 0.80 -0.08 0.00 -0.71 0.00 0.00 52.86 52.87 3haz s ASN 676 Cb 0.00 -2.18 -0.02 0.00 0.41 0.00 0.00 41.25 39.46 3haz s ASN 676 CO 0.00 -0.03 0.93 -0.94 -1.51 0.00 0.00 177.10 175.55 3haz s SER 677 N -2.40 5.98 -0.02 -1.22 1.04 -0.89 -3.94 113.70 112.25 3haz s SER 677 Ca 0.45 1.05 0.01 0.00 0.48 0.00 0.00 55.95 57.94 3haz s SER 677 Cb -0.11 -2.14 0.01 0.00 0.10 0.00 0.00 66.02 63.87 3haz s SER 677 CO 0.23 -0.89 -0.04 -0.69 0.98 0.00 0.00 173.24 172.83 3haz s VAL 678 N -3.02 0.35 -0.25 5.02 1.01 0.10 -0.67 120.40 122.94 3haz s VAL 678 Ca 0.53 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.34 3haz s VAL 678 Cb -0.11 -0.34 -0.00 0.00 0.00 0.00 0.00 36.38 35.93 3haz s VAL 678 CO 0.49 0.13 -0.00 -0.69 0.00 0.00 0.00 175.10 175.03 3haz s VAL 679 N 0.28 3.55 -0.15 2.92 1.01 0.04 -0.98 120.40 127.07 3haz s VAL 679 Ca -0.03 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 3haz s VAL 679 Cb -0.06 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 3haz s VAL 679 CO -0.00 0.29 -0.05 0.00 0.00 0.00 0.00 175.10 175.33 3haz s ALA 680 N 1.47 2.96 -0.25 5.51 0.00 0.27 -0.94 121.76 130.79 3haz s ALA 680 Ca 0.04 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.19 3haz s ALA 680 Cb -0.15 -1.51 0.05 0.00 0.00 0.00 0.00 23.12 21.50 3haz s ALA 680 CO -0.01 0.23 -0.12 0.21 0.00 0.00 0.00 175.76 176.07 3haz s LYS 681 N 0.33 2.45 0.70 0.00 2.20 0.57 -0.96 119.74 125.03 3haz s LYS 681 Ca -0.05 -1.21 -0.11 0.00 -0.36 0.00 0.00 55.97 54.24 3haz s LYS 681 Cb -0.14 -2.85 0.01 0.00 -1.51 0.00 0.00 37.83 33.34 3haz s LYS 681 CO 0.03 -0.49 1.09 -1.25 -0.36 0.00 0.00 175.35 174.37 3haz s PRO 682 N 1.17 2.88 0.41 4.03 0.04 -1.26 -2.79 135.00 139.48 3haz s PRO 682 Ca -0.05 0.45 -0.26 0.00 0.04 0.00 0.00 61.00 61.18 3haz s PRO 682 Cb -0.18 -2.03 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 3haz s PRO 682 CO -0.06 -1.01 1.28 0.00 0.04 0.00 0.00 177.00 177.25 3haz n ALA 683 N -2.98 1.34 -0.15 8.56 0.00 -0.92 -4.66 120.51 121.70 3haz n ALA 683 Ca 0.07 0.28 0.17 0.00 0.00 0.00 0.00 53.44 53.95 3haz n ALA 683 Cb 0.57 -2.27 0.54 0.00 0.00 0.00 0.00 19.45 18.29 3haz n ALA 683 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3haz h GLU 684 N 2.16 0.33 0.00 0.00 4.81 -1.90 -1.52 114.58 118.46 3haz h GLU 684 Ca -0.48 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.68 3haz h GLU 684 Cb 1.29 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 3haz h GLU 684 CO 0.60 0.22 -0.23 1.96 -0.73 0.00 0.00 179.01 180.83 3haz h GLN 685 N 0.34 0.00 -1.31 1.92 7.50 -1.93 -3.37 115.11 118.26 3haz h GLN 685 Ca 0.37 0.00 -0.46 0.00 0.50 0.00 0.00 58.65 59.06 3haz h GLN 685 Cb 0.94 0.00 -0.41 0.00 0.05 0.00 0.00 27.48 28.06 3haz h GLN 685 CO -0.10 0.23 -1.02 0.25 -1.50 0.00 0.00 178.83 176.68 3haz n THR 686 N -3.39 1.45 0.13 -0.54 -2.24 -0.57 -4.87 114.28 104.25 3haz n THR 686 Ca 0.00 -3.92 -0.00 0.00 -2.27 0.00 0.00 64.05 57.86 3haz n THR 686 Cb 0.43 -0.14 0.13 0.00 -2.10 0.00 0.00 70.33 68.65 3haz n THR 686 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3haz h PRO 687 N 2.86 0.00 0.18 -0.78 0.13 -1.73 -3.30 132.00 129.36 3haz h PRO 687 Ca 0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.18 3haz h PRO 687 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3haz h PRO 687 CO 0.63 0.62 -0.09 0.00 -0.23 0.00 0.00 178.00 178.94 3haz h ARG 688 N 0.00 -0.23 -0.40 0.86 -0.00 -1.93 -0.21 114.38 112.46 3haz h ARG 688 Ca -0.01 0.02 -0.03 0.00 -0.50 0.00 0.00 59.98 59.46 3haz h ARG 688 Cb 1.24 0.05 -0.02 0.00 0.00 0.00 0.00 29.97 31.25 3haz h ARG 688 CO 0.08 0.02 0.12 0.97 0.00 0.00 0.00 179.97 181.15 3haz h ILE 689 N -0.46 1.17 -0.45 2.04 2.10 -1.93 -0.76 117.51 119.23 3haz h ILE 689 Ca -0.02 -0.59 -0.01 0.00 1.08 0.00 0.00 64.86 65.31 3haz h ILE 689 Cb 0.35 0.75 -0.02 0.00 -1.09 0.00 0.00 36.82 36.81 3haz h ILE 689 CO 0.04 0.22 0.23 0.00 -1.08 0.00 0.00 178.15 177.56 3haz h ALA 690 N 1.56 0.57 -0.73 0.18 0.00 -1.57 0.85 119.26 120.12 3haz h ALA 690 Ca 0.14 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3haz h ALA 690 Cb 0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3haz h ALA 690 CO -0.01 0.12 0.26 -0.09 0.00 0.00 0.00 179.25 179.53 3haz h ARG 691 N 0.58 1.10 -0.60 0.00 2.43 -0.41 -0.98 114.38 116.49 3haz h ARG 691 Ca 0.15 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 3haz h ARG 691 Cb 0.09 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 3haz h ARG 691 CO -0.02 0.91 0.25 0.93 -1.51 0.00 0.00 179.97 180.53 3haz h GLU 692 N 1.07 0.90 -0.12 0.20 4.39 -0.77 -1.80 114.58 118.43 3haz h GLU 692 Ca 0.24 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 3haz h GLU 692 Cb 0.25 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 3haz h GLU 692 CO -0.01 0.76 0.06 0.00 -1.16 0.00 0.00 179.01 178.66 3haz h ALA 693 N 1.09 0.16 -0.39 3.43 0.00 -0.47 -0.97 119.26 122.11 3haz h ALA 693 Ca 0.20 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3haz h ALA 693 Cb 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3haz h ALA 693 CO -0.02 -0.30 0.20 0.28 0.00 0.00 0.00 179.25 179.41 3haz h VAL 694 N 0.09 0.98 -0.51 0.00 2.07 -1.10 0.12 116.25 117.90 3haz h VAL 694 Ca 0.04 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3haz h VAL 694 Cb 0.08 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3haz h VAL 694 CO -0.01 0.07 0.29 0.00 0.02 0.00 0.00 177.57 177.95 3haz h ALA 695 N 1.20 1.55 -0.48 1.67 0.00 -1.18 -0.55 119.26 121.48 3haz h ALA 695 Ca 0.17 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3haz h ALA 695 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3haz h ALA 695 CO -0.11 0.38 -0.13 1.25 0.00 0.00 0.00 179.25 180.64 3haz h LEU 696 N 0.71 0.94 -0.55 0.00 6.46 -0.11 -1.45 115.31 121.31 3haz h LEU 696 Ca 0.18 -0.37 -0.04 0.00 -0.12 0.00 0.00 57.88 57.54 3haz h LEU 696 Cb 0.00 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.65 3haz h LEU 696 CO -0.03 1.10 0.20 -0.07 -0.62 0.00 0.00 178.44 179.01 3haz h LEU 697 N 0.78 0.78 -0.54 2.25 3.38 0.00 -0.21 115.31 121.75 3haz h LEU 697 Ca 0.12 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3haz h LEU 697 Cb 0.69 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3haz h LEU 697 CO 0.05 0.76 0.33 0.45 0.09 0.00 0.00 178.44 180.12 3haz h HIS 698 N 0.76 0.62 0.00 1.13 3.86 -1.02 -1.44 115.15 119.06 3haz h HIS 698 Ca 0.18 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.37 3haz h HIS 698 Cb 0.24 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 3haz h HIS 698 CO 0.01 0.36 -0.21 1.49 0.86 0.00 0.00 177.93 180.44 3haz h GLU 699 N 0.66 0.00 0.00 2.45 4.81 -0.88 -2.39 114.58 119.22 3haz h GLU 699 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3haz h GLU 699 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3haz h GLU 699 CO -0.09 0.21 0.00 0.00 -0.73 0.00 0.00 179.01 178.40 3haz n ALA 700 N -2.44 2.21 0.00 2.92 0.00 -0.12 -4.88 120.51 118.19 3haz n ALA 700 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3haz n ALA 700 Cb 0.28 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3haz n ALA 700 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3haz n GLY 701 N 1.17 0.21 3.66 0.00 0.00 -0.90 -4.47 105.19 104.86 3haz n GLY 701 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 3haz n GLY 701 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3haz s ILE 702 N -1.11 4.27 0.45 -0.61 -1.09 -0.67 -4.95 121.20 117.50 3haz s ILE 702 Ca 0.00 1.55 -0.25 0.00 -2.23 0.00 0.00 60.65 59.72 3haz s ILE 702 Cb 0.00 -4.00 -0.08 0.00 -1.58 0.00 0.00 42.46 36.80 3haz s ILE 702 CO 0.00 -0.12 1.39 -2.65 -1.23 0.00 0.00 174.94 172.33 3haz n PRO 703 N 6.41 2.13 0.09 2.79 -0.02 -1.26 -4.15 135.00 140.98 3haz n PRO 703 Ca 0.13 0.76 0.18 0.00 -2.02 0.00 0.00 63.50 62.55 3haz n PRO 703 Cb 0.45 -2.57 0.71 0.00 -0.02 0.00 0.00 33.50 32.07 3haz n PRO 703 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3haz h LYS 704 N 2.17 0.00 -0.00 -0.52 1.79 -1.92 -0.48 116.57 117.60 3haz h LYS 704 Ca -0.50 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 3haz h LYS 704 Cb 1.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 3haz h LYS 704 CO 0.60 0.00 -0.06 -1.13 -1.08 0.00 0.00 179.45 177.79 3haz n SER 705 N -4.27 0.14 -0.00 0.86 3.41 -1.26 -3.59 113.62 108.90 3haz n SER 705 Ca 0.06 -0.07 0.09 0.00 -0.26 0.00 0.00 58.87 58.69 3haz n SER 705 Cb 0.47 -0.26 -0.13 0.00 -0.26 0.00 0.00 64.21 64.03 3haz n SER 705 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3haz n ALA 706 N -1.29 3.87 -3.63 7.33 0.00 -0.19 -3.91 120.51 122.69 3haz n ALA 706 Ca 0.12 -0.52 -0.15 0.00 0.00 0.00 0.00 53.44 52.89 3haz n ALA 706 Cb 0.28 -0.70 -0.13 0.00 0.00 0.00 0.00 19.45 18.90 3haz n ALA 706 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3haz s LEU 707 N -3.45 -0.24 -0.03 0.00 2.96 -1.20 0.02 118.68 116.73 3haz s LEU 707 Ca 0.02 0.42 0.05 0.00 -0.22 0.00 0.00 54.13 54.40 3haz s LEU 707 Cb 0.14 0.58 -0.01 0.00 0.50 0.00 0.00 46.19 47.40 3haz s LEU 707 CO 0.81 -0.25 -0.19 -0.31 -1.32 0.00 0.00 176.35 175.08 3haz s TYR 708 N 2.39 1.79 -0.23 5.38 1.51 -0.15 -4.84 117.35 123.20 3haz s TYR 708 Ca 0.03 -0.43 -0.11 0.00 -1.01 0.00 0.00 57.07 55.55 3haz s TYR 708 Cb -0.13 -1.18 -0.05 0.00 -0.11 0.00 0.00 41.96 40.50 3haz s TYR 708 CO -0.09 -0.10 0.17 -1.17 -1.11 0.00 0.00 175.55 173.25 3haz s LEU 709 N -0.22 4.14 -0.17 -1.29 2.96 -1.26 -0.56 118.68 122.28 3haz s LEU 709 Ca 0.02 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 3haz s LEU 709 Cb -0.10 -2.14 0.02 0.00 0.50 0.00 0.00 46.19 44.48 3haz s LEU 709 CO 0.01 0.08 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.27 3haz s VAL 710 N 0.91 1.81 0.19 1.68 1.01 -0.13 -4.95 120.40 120.92 3haz s VAL 710 Ca 0.09 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.26 3haz s VAL 710 Cb -0.13 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 3haz s VAL 710 CO 0.03 0.44 0.33 0.42 0.00 0.00 0.00 175.10 176.33 3haz s THR 711 N 1.38 5.28 -5.00 3.92 -4.23 -1.26 -4.04 115.64 111.69 3haz s THR 711 Ca 0.04 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 3haz s THR 711 Cb -0.14 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.92 3haz s THR 711 CO -0.11 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 3haz n GLY 712 N -0.92 -0.40 0.00 3.99 0.00 -1.26 -0.85 105.19 105.75 3haz n GLY 712 Ca -0.07 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3haz n GLY 712 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3haz n ASP 713 N 2.36 0.00 0.15 1.61 5.68 -1.26 -4.14 116.55 120.94 3haz n ASP 713 Ca 0.00 -0.26 0.12 0.00 -0.50 0.00 0.00 54.79 54.16 3haz n ASP 713 Cb 0.00 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 40.51 3haz n ASP 713 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3haz h GLY 714 N 0.00 0.00 1.31 6.12 0.00 -1.98 -2.35 103.07 106.17 3haz h GLY 714 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 3haz h GLY 714 CO 0.00 0.00 -1.19 0.07 0.00 0.00 0.00 176.54 175.42 3haz h ARG 715 N 0.00 0.58 -0.50 4.80 -0.00 -1.98 -1.02 114.38 116.25 3haz h ARG 715 Ca 0.00 -0.75 -0.13 0.00 -0.00 0.00 0.00 59.98 59.10 3haz h ARG 715 Cb 0.33 0.24 -0.01 0.00 -0.00 0.00 0.00 29.97 30.52 3haz h ARG 715 CO 0.00 1.33 -0.19 0.82 -0.00 0.00 0.00 179.97 181.93 3haz h ILE 716 N 0.27 1.27 -0.88 0.08 1.08 -1.82 -0.69 117.51 116.81 3haz h ILE 716 Ca -0.16 -1.36 0.01 0.00 -0.39 0.00 0.00 64.86 62.96 3haz h ILE 716 Cb 1.86 1.08 -0.04 0.00 -3.07 0.00 0.00 36.82 36.64 3haz h ILE 716 CO 0.22 0.47 0.59 1.23 -0.69 0.00 0.00 178.15 179.97 3haz h GLY 717 N 0.89 1.24 0.99 5.37 0.00 -1.46 -2.30 103.07 107.80 3haz h GLY 717 Ca 0.12 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 3haz h GLY 717 CO 0.06 0.45 -0.04 0.00 0.00 0.00 0.00 176.54 177.02 3haz h ALA 718 N 1.45 0.61 -0.94 3.60 0.00 -0.74 -2.16 119.26 121.08 3haz h ALA 718 Ca 0.33 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3haz h ALA 718 Cb -0.13 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.44 3haz h ALA 718 CO -0.07 0.44 0.61 0.00 0.00 0.00 0.00 179.25 180.22 3haz h ALA 719 N 0.89 1.27 -0.08 0.00 0.00 -0.82 -0.94 119.26 119.59 3haz h ALA 719 Ca 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3haz h ALA 719 Cb 0.55 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3haz h ALA 719 CO 0.03 0.43 0.02 -0.07 0.00 0.00 0.00 179.25 179.66 3haz h LEU 720 N 1.14 0.12 -1.53 0.00 3.38 -1.22 -2.68 115.31 114.51 3haz h LEU 720 Ca 0.39 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3haz h LEU 720 Cb 0.08 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3haz h LEU 720 CO -0.14 0.31 -0.12 0.71 0.09 0.00 0.00 178.44 179.29 3haz h THR 721 N -0.08 0.35 0.00 0.22 1.35 -1.07 -2.71 112.91 110.96 3haz h THR 721 Ca 0.02 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 3haz h THR 721 Cb 0.24 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3haz h THR 721 CO 0.00 0.11 -0.55 0.00 -0.25 0.00 0.00 175.52 174.83 3haz h ALA 722 N 1.88 0.67 -2.36 6.62 0.00 -1.08 -3.42 119.26 121.57 3haz h ALA 722 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.34 3haz h ALA 722 Cb 0.53 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.37 3haz h ALA 722 CO 0.02 0.00 0.94 1.58 0.00 0.00 0.00 179.25 181.79 3haz n HIS 723 N -2.37 2.45 0.31 0.00 -0.00 -1.02 -4.88 115.22 109.70 3haz n HIS 723 Ca 0.03 0.10 0.19 0.00 -0.00 0.00 0.00 57.72 58.04 3haz n HIS 723 Cb 0.47 -2.62 0.96 0.00 -0.00 0.00 0.00 29.99 28.80 3haz n HIS 723 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3haz h PRO 724 N 7.07 0.00 -0.11 1.57 0.13 -1.90 -3.12 132.00 135.65 3haz h PRO 724 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3haz h PRO 724 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3haz h PRO 724 CO 0.92 0.02 0.00 -0.25 -0.23 0.00 0.00 178.00 178.47 3haz n ASP 725 N -3.25 2.28 -4.83 1.44 8.00 -1.26 -4.95 116.55 113.98 3haz n ASP 725 Ca -0.02 -1.77 -0.33 0.00 0.71 0.00 0.00 54.79 53.39 3haz n ASP 725 Cb 0.17 -0.06 -0.07 0.00 -0.02 0.00 0.00 41.12 41.14 3haz n ASP 725 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3haz s ILE 726 N -1.88 4.51 -2.07 0.53 -4.36 -1.18 -4.61 121.20 112.13 3haz s ILE 726 Ca 0.34 1.26 0.20 0.00 -0.26 0.00 0.00 60.65 62.19 3haz s ILE 726 Cb 0.20 -3.61 0.07 0.00 1.25 0.00 0.00 42.46 40.37 3haz s ILE 726 CO 0.31 -0.27 1.04 0.00 0.24 0.00 0.00 174.94 176.25 3haz n ALA 727 N -0.55 2.97 0.00 2.27 0.00 0.47 -4.91 120.51 120.75 3haz n ALA 727 Ca 0.06 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3haz n ALA 727 Cb 0.54 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.31 3haz n ALA 727 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3haz n GLY 728 N 1.21 1.94 2.85 0.00 0.00 -1.22 -4.19 105.19 105.79 3haz n GLY 728 Ca 0.10 -0.93 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 3haz n GLY 728 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3haz s VAL 729 N -2.00 0.46 -0.25 1.61 1.01 -0.81 -1.51 120.40 118.92 3haz s VAL 729 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 3haz s VAL 729 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.85 3haz s VAL 729 CO 0.00 0.23 -0.01 0.54 0.00 0.00 0.00 175.10 175.86 3haz s VAL 730 N 1.21 3.50 -0.02 2.92 0.11 -0.43 -1.23 120.40 126.45 3haz s VAL 730 Ca -0.07 -0.62 0.04 0.00 -2.93 0.00 0.00 61.98 58.40 3haz s VAL 730 Cb -0.14 -2.69 -0.01 0.00 -1.53 0.00 0.00 36.38 32.02 3haz s VAL 730 CO -0.02 0.29 -0.14 0.12 -3.33 0.00 0.00 175.10 172.02 3haz s PHE 731 N 1.47 1.37 -0.09 1.54 5.36 0.12 -1.33 117.98 126.42 3haz s PHE 731 Ca 0.04 -0.32 -0.00 0.00 -0.96 0.00 0.00 56.93 55.69 3haz s PHE 731 Cb -0.15 -0.91 0.02 0.00 -0.34 0.00 0.00 43.02 41.64 3haz s PHE 731 CO -0.02 -0.08 -0.05 0.99 -1.46 0.00 0.00 175.22 174.60 3haz s THR 732 N -0.12 0.74 -2.07 0.12 2.01 -0.76 -1.29 115.64 114.26 3haz s THR 732 Ca 0.01 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 61.88 3haz s THR 732 Cb -0.08 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.63 3haz s THR 732 CO 0.00 0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.85 3haz n GLY 733 N 4.80 -0.65 3.77 4.40 0.00 -0.75 -3.25 105.19 113.51 3haz n GLY 733 Ca -0.13 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 3haz n GLY 733 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3haz s SER 734 N -4.00 7.02 0.40 1.61 1.04 -1.26 -3.92 113.70 114.59 3haz s SER 734 Ca 0.00 2.27 0.15 0.00 0.48 0.00 0.00 55.95 58.85 3haz s SER 734 Cb 0.00 -2.62 1.01 0.00 0.10 0.00 0.00 66.02 64.51 3haz s SER 734 CO 0.00 -0.32 1.84 0.74 0.98 0.00 0.00 173.24 176.48 3haz h THR 735 N 2.81 0.69 -0.30 2.02 2.02 -1.92 -1.76 112.91 116.47 3haz h THR 735 Ca -0.47 -0.17 -0.10 0.00 0.77 0.00 0.00 66.41 66.44 3haz h THR 735 Cb 1.22 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 3haz h THR 735 CO 0.65 0.09 -0.20 -0.33 0.37 0.00 0.00 175.52 176.10 3haz h GLU 736 N 0.48 0.67 -0.33 6.66 3.07 -1.96 -2.78 114.58 120.38 3haz h GLU 736 Ca 0.49 -0.31 -0.09 0.00 -0.50 0.00 0.00 59.36 58.94 3haz h GLU 736 Cb 1.11 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.00 3haz h GLU 736 CO -0.21 0.91 -0.19 0.28 -1.40 0.00 0.00 179.01 178.40 3haz h VAL 737 N 0.42 1.26 -0.48 3.13 2.07 -1.73 -2.74 116.25 118.17 3haz h VAL 737 Ca 0.06 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.38 3haz h VAL 737 Cb 0.74 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 3haz h VAL 737 CO 0.05 0.40 0.31 0.00 0.02 0.00 0.00 177.57 178.35 3haz h ALA 738 N 1.25 0.61 -0.73 1.67 0.00 -1.23 -0.49 119.26 120.34 3haz h ALA 738 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3haz h ALA 738 Cb 0.63 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3haz h ALA 738 CO 0.04 0.03 0.40 0.00 0.00 0.00 0.00 179.25 179.73 3haz h ARG 739 N 0.63 1.00 -0.39 0.00 3.08 -1.37 0.15 114.38 117.48 3haz h ARG 739 Ca 0.18 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 3haz h ARG 739 Cb -0.05 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 3haz h ARG 739 CO -0.05 0.73 0.13 1.03 -1.07 0.00 0.00 179.97 180.74 3haz h SER 740 N 1.01 0.56 -0.29 7.04 0.87 -1.10 -0.61 113.55 121.03 3haz h SER 740 Ca 0.26 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 3haz h SER 740 Cb 0.02 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 3haz h SER 740 CO -0.04 0.61 0.16 0.40 -0.53 0.00 0.00 176.83 177.42 3haz h ILE 741 N 0.49 1.13 -0.84 2.23 2.04 -0.57 -1.63 117.51 120.35 3haz h ILE 741 Ca 0.13 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.71 3haz h ILE 741 Cb 0.24 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 3haz h ILE 741 CO -0.01 0.13 0.52 -1.13 0.00 0.00 0.00 178.15 177.66 3haz h ASN 742 N 0.35 0.81 -0.42 1.72 -1.24 -0.52 -0.53 115.58 115.75 3haz h ASN 742 Ca 0.10 0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.07 3haz h ASN 742 Cb 0.06 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 38.94 3haz h ASN 742 CO -0.02 0.52 0.05 0.03 -1.29 0.00 0.00 177.43 176.73 3haz h ARG 743 N 0.95 0.71 -0.92 6.67 3.08 -0.90 -0.52 114.38 123.46 3haz h ARG 743 Ca 0.36 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3haz h ARG 743 Cb 0.16 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 3haz h ARG 743 CO -0.17 0.76 0.58 0.00 -1.07 0.00 0.00 179.97 180.07 3haz h ALA 744 N 0.92 1.28 -0.07 0.04 0.00 -0.71 -0.86 119.26 119.87 3haz h ALA 744 Ca 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3haz h ALA 744 Cb 0.41 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3haz h ALA 744 CO 0.01 0.63 0.01 -0.07 0.00 0.00 0.00 179.25 179.83 3haz h LEU 745 N 1.26 0.11 -1.98 0.00 3.38 -0.89 -3.11 115.31 114.08 3haz h LEU 745 Ca 0.33 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3haz h LEU 745 Cb -0.09 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3haz h LEU 745 CO -0.07 0.37 -0.10 0.00 0.09 0.00 0.00 178.44 178.73 3haz h ALA 746 N 0.74 1.37 -0.27 1.53 0.00 -0.77 -2.45 119.26 119.42 3haz h ALA 746 Ca 0.02 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3haz h ALA 746 Cb 0.31 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3haz h ALA 746 CO 0.00 0.13 -0.17 0.00 0.00 0.00 0.00 179.25 179.22 3haz h ALA 747 N 1.90 1.21 -2.71 0.00 0.00 -1.09 -3.45 119.26 115.11 3haz h ALA 747 Ca -0.00 -0.29 -0.54 0.00 0.00 0.00 0.00 54.91 54.08 3haz h ALA 747 Cb 0.27 -0.13 0.18 0.00 0.00 0.00 0.00 17.79 18.11 3haz h ALA 747 CO 0.01 0.51 0.38 0.15 0.00 0.00 0.00 179.25 180.30 3haz s LYS 748 N -4.66 1.79 0.00 0.00 1.02 -0.92 -4.92 119.74 112.04 3haz s LYS 748 Ca -0.07 1.84 0.25 0.00 0.02 0.00 0.00 55.97 58.01 3haz s LYS 748 Cb 0.14 -1.78 0.56 0.00 -0.52 0.00 0.00 37.83 36.23 3haz s LYS 748 CO 0.78 -2.12 1.45 -0.25 -0.92 0.00 0.00 175.35 174.29 3haz n ASP 749 N -3.03 0.51 -2.94 2.83 8.00 -1.26 -4.94 116.55 115.71 3haz n ASP 749 Ca 0.14 -0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.39 3haz n ASP 749 Cb 0.50 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 3haz n ASP 749 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3haz n GLY 750 N 1.49 -1.38 3.63 0.44 0.00 -1.26 -4.99 105.19 103.12 3haz n GLY 750 Ca 0.06 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 3haz n GLY 750 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3haz n PRO 751 N -0.31 1.21 -2.61 1.61 -0.02 -1.26 -4.94 135.00 128.67 3haz n PRO 751 Ca 0.00 0.45 -0.43 0.00 -2.02 0.00 0.00 63.50 61.50 3haz n PRO 751 Cb 0.00 -2.17 -0.02 0.00 -0.02 0.00 0.00 33.50 31.29 3haz n PRO 751 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3haz s ILE 752 N -1.39 4.26 0.30 4.25 1.01 -1.26 -5.03 121.20 123.34 3haz s ILE 752 Ca 0.69 1.28 0.04 0.00 0.00 0.00 0.00 60.65 62.67 3haz s ILE 752 Cb -0.47 -4.57 -0.02 0.00 0.01 0.00 0.00 42.46 37.40 3haz s ILE 752 CO 0.52 -0.93 0.46 0.68 0.00 0.00 0.00 174.94 175.67 3haz s VAL 753 N 4.31 4.84 0.29 2.92 -7.23 -1.26 -5.07 120.40 119.21 3haz s VAL 753 Ca 0.47 -0.83 -0.29 0.00 -1.81 0.00 0.00 61.98 59.52 3haz s VAL 753 Cb -0.08 -3.72 -0.10 0.00 0.56 0.00 0.00 36.38 33.04 3haz s VAL 753 CO 0.29 -0.34 1.14 -2.84 -0.31 0.00 0.00 175.10 173.04 3haz s PRO 754 N -4.15 4.57 -0.21 4.82 0.02 -1.26 -4.94 135.00 133.85 3haz s PRO 754 Ca 0.39 1.89 0.01 0.00 0.02 0.00 0.00 61.00 63.31 3haz s PRO 754 Cb -0.09 -3.15 0.03 0.00 0.02 0.00 0.00 34.50 31.30 3haz s PRO 754 CO 0.32 0.12 -0.15 -1.17 -0.33 0.00 0.00 177.00 175.78 3haz s LEU 755 N -1.54 2.60 -0.32 -5.54 2.96 -1.26 -1.93 118.68 113.64 3haz s LEU 755 Ca 0.46 -0.83 -0.11 0.00 -0.22 0.00 0.00 54.13 53.43 3haz s LEU 755 Cb -0.34 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 3haz s LEU 755 CO 0.43 -0.06 0.20 -0.63 -1.32 0.00 0.00 176.35 174.97 3haz s ILE 756 N 1.26 4.97 -0.13 6.68 1.01 -0.37 -4.92 121.20 129.71 3haz s ILE 756 Ca 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.36 3haz s ILE 756 Cb -0.15 -3.54 0.04 0.00 0.01 0.00 0.00 42.46 38.82 3haz s ILE 756 CO -0.10 0.04 -0.03 0.00 0.00 0.00 0.00 174.94 174.85 3haz s ALA 757 N 1.67 1.12 -0.22 9.38 0.00 -1.26 0.12 121.76 132.58 3haz s ALA 757 Ca 0.05 -0.52 -0.04 0.00 0.00 0.00 0.00 51.96 51.45 3haz s ALA 757 Cb -0.17 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.97 3haz s ALA 757 CO 0.09 -0.65 -0.02 -1.21 0.00 0.00 0.00 175.76 173.96 3haz s GLU 758 N 1.79 3.46 0.00 0.00 0.41 -0.41 -1.33 118.70 122.62 3haz s GLU 758 Ca 0.03 -0.59 0.00 0.00 -0.41 0.00 0.00 54.97 54.00 3haz s GLU 758 Cb -0.14 -3.05 0.00 0.00 -1.78 0.00 0.00 34.13 29.17 3haz s GLU 758 CO -0.07 -0.14 0.00 0.25 -0.49 0.00 0.00 175.26 174.81 3haz n THR 759 N 4.65 0.00 -0.19 3.63 -2.24 -0.41 -1.82 114.28 117.91 3haz n THR 759 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3haz n THR 759 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 3haz n THR 759 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3haz n GLY 760 N 3.38 -1.71 3.53 3.38 0.00 -1.25 -4.74 105.19 107.77 3haz n GLY 760 Ca 0.00 -1.50 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 3haz n GLY 760 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3haz s GLY 761 N -1.47 -0.46 -0.71 -0.02 0.00 -1.26 -4.23 107.32 99.18 3haz s GLY 761 Ca 0.00 0.68 -0.00 0.00 0.00 0.00 0.00 44.72 45.39 3haz s GLY 761 CO 0.00 0.22 0.53 -0.42 0.00 0.00 0.00 173.10 173.43 3haz s ILE 762 N -3.36 3.63 -0.05 0.90 1.01 -1.26 -4.59 121.20 117.48 3haz s ILE 762 Ca 0.05 -3.51 -0.28 0.00 0.00 0.00 0.00 60.65 56.91 3haz s ILE 762 Cb -0.01 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 3haz s ILE 762 CO -0.08 -0.95 0.91 0.20 0.00 0.00 0.00 174.94 175.01 3haz s ASN 763 N -0.06 7.22 0.23 3.58 0.01 -1.26 -4.87 114.94 119.79 3haz s ASN 763 Ca 0.21 1.48 0.06 0.00 -0.71 0.00 0.00 52.86 53.90 3haz s ASN 763 Cb -0.14 -2.52 -0.03 0.00 0.41 0.00 0.00 41.25 38.96 3haz s ASN 763 CO -0.08 -0.28 0.22 0.00 -1.51 0.00 0.00 177.10 175.46 3haz s ALA 764 N 1.26 3.67 -0.01 0.60 0.00 -1.25 -0.37 121.76 125.66 3haz s ALA 764 Ca 0.47 -1.34 0.04 0.00 0.00 0.00 0.00 51.96 51.13 3haz s ALA 764 Cb -0.19 -1.42 -0.01 0.00 0.00 0.00 0.00 23.12 21.50 3haz s ALA 764 CO 0.22 0.30 -0.14 1.41 0.00 0.00 0.00 175.76 177.55 3haz s MET 765 N -3.74 1.21 -0.21 0.00 1.75 0.15 -1.22 119.30 117.24 3haz s MET 765 Ca 0.33 -0.51 -0.04 0.00 -1.25 0.00 0.00 55.69 54.22 3haz s MET 765 Cb -0.09 -1.16 -0.01 0.00 2.84 0.00 0.00 34.83 36.42 3haz s MET 765 CO 0.26 0.30 -0.05 0.42 -0.65 0.00 0.00 175.02 175.30 3haz s ILE 766 N -0.29 3.37 -0.15 10.11 1.01 0.86 0.01 121.20 136.13 3haz s ILE 766 Ca 0.04 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.21 3haz s ILE 766 Cb -0.06 -2.53 0.02 0.00 0.01 0.00 0.00 42.46 39.90 3haz s ILE 766 CO -0.00 0.43 -0.18 0.00 0.00 0.00 0.00 174.94 175.19 3haz s ALA 767 N 1.36 2.05 0.59 9.38 0.00 -0.07 -0.39 121.76 134.68 3haz s ALA 767 Ca 0.04 -1.00 0.10 0.00 0.00 0.00 0.00 51.96 51.10 3haz s ALA 767 Cb -0.14 -1.03 0.10 0.00 0.00 0.00 0.00 23.12 22.04 3haz s ALA 767 CO -0.02 -0.22 0.82 0.16 0.00 0.00 0.00 175.76 176.49 3haz s ASP 768 N 1.17 5.03 0.00 0.00 1.47 -0.91 -2.22 116.67 121.20 3haz s ASP 768 Ca -0.00 -0.89 0.25 0.00 1.18 0.00 0.00 52.55 53.08 3haz s ASP 768 Cb -0.14 0.41 1.28 0.00 -0.34 0.00 0.00 42.92 44.13 3haz s ASP 768 CO -0.07 -1.42 1.83 0.00 0.68 0.00 0.00 175.17 176.18 3haz n ALA 769 N -2.30 2.27 1.25 2.11 0.00 -1.26 -1.81 120.51 120.78 3haz n ALA 769 Ca 0.17 -0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.62 3haz n ALA 769 Cb 0.62 -1.40 0.45 0.00 0.00 0.00 0.00 19.45 19.12 3haz n ALA 769 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3haz n THR 770 N -1.24 0.00 -2.62 0.00 -2.24 -1.26 -3.67 114.28 103.25 3haz n THR 770 Ca 0.13 -0.08 -0.37 0.00 -2.27 0.00 0.00 64.05 61.45 3haz n THR 770 Cb 0.18 0.18 -0.05 0.00 -2.10 0.00 0.00 70.33 68.54 3haz n THR 770 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3haz s ALA 771 N -2.58 3.19 -0.29 6.98 0.00 -0.75 -4.20 121.76 124.11 3haz s ALA 771 Ca 0.24 0.67 -0.29 0.00 0.00 0.00 0.00 51.96 52.58 3haz s ALA 771 Cb 0.19 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.05 3haz s ALA 771 CO 0.53 -0.06 1.47 -1.17 0.00 0.00 0.00 175.76 176.53 3haz s LEU 772 N -2.21 3.82 0.35 0.00 2.96 -1.26 -4.92 118.68 117.42 3haz s LEU 772 Ca 0.53 1.32 0.09 0.00 -0.22 0.00 0.00 54.13 55.85 3haz s LEU 772 Cb -0.23 -3.54 0.83 0.00 0.50 0.00 0.00 46.19 43.76 3haz s LEU 772 CO 0.29 -1.24 1.86 -0.65 -1.32 0.00 0.00 176.35 175.28 3haz h PRO 773 N 10.28 0.66 -0.33 0.98 0.11 -1.96 -1.07 132.00 140.68 3haz h PRO 773 Ca -0.30 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.71 3haz h PRO 773 Cb 1.12 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3haz h PRO 773 CO 1.03 0.44 -0.05 0.93 -0.21 0.00 0.00 178.00 180.14 3haz h GLU 774 N 0.68 0.53 0.20 1.05 3.07 -1.96 -0.12 114.58 118.02 3haz h GLU 774 Ca 0.46 -0.13 -0.31 0.00 -0.50 0.00 0.00 59.36 58.88 3haz h GLU 774 Cb 0.77 -0.07 0.03 0.00 -0.84 0.00 0.00 28.75 28.64 3haz h GLU 774 CO -0.22 0.59 -1.38 1.96 -1.40 0.00 0.00 179.01 178.57 3haz h GLN 775 N 0.50 0.44 -0.53 2.33 1.08 -1.65 -2.34 115.11 114.94 3haz h GLN 775 Ca 0.10 -0.74 0.06 0.00 -1.45 0.00 0.00 58.65 56.62 3haz h GLN 775 Cb 0.40 0.27 -0.05 0.00 -0.05 0.00 0.00 27.48 28.05 3haz h GLN 775 CO 0.02 1.35 0.23 0.28 -0.95 0.00 0.00 178.83 179.76 3haz h VAL 776 N 0.13 0.88 -0.38 -0.54 2.07 -1.07 -0.25 116.25 117.09 3haz h VAL 776 Ca -0.20 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 3haz h VAL 776 Cb 2.08 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 3haz h VAL 776 CO 0.25 0.08 0.07 0.00 0.02 0.00 0.00 177.57 177.98 3haz h ALA 777 N 1.32 0.50 -0.08 1.67 0.00 -1.01 0.21 119.26 121.88 3haz h ALA 777 Ca 0.25 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3haz h ALA 777 Cb 0.22 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3haz h ALA 777 CO -0.21 0.20 -0.15 -0.44 0.00 0.00 0.00 179.25 178.65 3haz h ASP 778 N 0.47 -0.46 0.69 0.00 3.32 -1.18 -0.42 116.42 118.84 3haz h ASP 778 Ca 0.12 0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 3haz h ASP 778 Cb 0.35 0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 3haz h ASP 778 CO 0.01 -0.20 -0.55 0.44 -1.72 0.00 0.00 179.24 177.22 3haz h ASP 779 N -0.21 0.00 -0.07 6.45 3.32 -0.74 -1.31 116.42 123.86 3haz h ASP 779 Ca 0.08 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 3haz h ASP 779 Cb 0.32 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.88 3haz h ASP 779 CO -0.20 0.55 -0.53 0.58 -1.72 0.00 0.00 179.24 177.91 3haz h VAL 780 N 0.00 1.38 -0.48 -1.35 2.07 -0.46 -1.39 116.25 116.02 3haz h VAL 780 Ca -0.01 -1.90 -0.01 0.00 0.82 0.00 0.00 66.70 65.61 3haz h VAL 780 Cb 1.04 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 33.09 3haz h VAL 780 CO 0.07 0.56 0.28 0.58 0.02 0.00 0.00 177.57 179.09 3haz h VAL 781 N 0.06 1.16 0.34 2.57 2.07 -0.90 -1.08 116.25 120.47 3haz h VAL 781 Ca -0.05 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 3haz h VAL 781 Cb 1.20 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3haz h VAL 781 CO 0.11 0.16 -0.17 0.74 0.02 0.00 0.00 177.57 178.44 3haz h THR 782 N 0.64 0.68 -0.39 2.57 2.02 -1.30 -1.67 112.91 115.45 3haz h THR 782 Ca 0.17 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 3haz h THR 782 Cb 0.01 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3haz h THR 782 CO -0.03 0.06 0.22 0.28 0.37 0.00 0.00 175.52 176.42 3haz h SER 783 N -0.62 0.47 0.14 4.18 0.02 -1.14 -2.18 113.55 114.41 3haz h SER 783 Ca -0.05 -0.02 -0.30 0.00 -0.84 0.00 0.00 61.79 60.58 3haz h SER 783 Cb 0.45 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.82 3haz h SER 783 CO 0.08 0.37 -2.15 0.00 -1.14 0.00 0.00 176.83 173.99 3haz n ALA 784 N -2.48 1.67 -0.00 3.77 0.00 -0.42 -1.24 120.51 121.82 3haz n ALA 784 Ca 0.03 -1.09 0.01 0.00 0.00 0.00 0.00 53.44 52.39 3haz n ALA 784 Cb 0.09 -0.42 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 3haz n ALA 784 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3haz n PHE 785 N -2.76 0.00 -1.68 0.00 3.72 -0.63 -3.70 117.46 112.41 3haz n PHE 785 Ca -0.25 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.71 3haz n PHE 785 Cb 1.05 -0.09 -0.01 0.00 -0.94 0.00 0.00 39.48 39.49 3haz n PHE 785 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3haz n ARG 786 N -1.68 2.06 -2.70 -1.08 3.00 -0.82 -1.22 116.66 114.22 3haz n ARG 786 Ca -0.01 0.72 -0.21 0.00 -0.00 0.00 0.00 57.85 58.36 3haz n ARG 786 Cb 0.15 -2.32 0.01 0.00 0.00 0.00 0.00 32.46 30.30 3haz n ARG 786 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 3haz n SER 787 N 1.26 -5.63 -2.77 6.15 7.64 -1.26 -1.46 113.62 117.55 3haz n SER 787 Ca 0.07 -0.12 -0.18 0.00 1.01 0.00 0.00 58.87 59.66 3haz n SER 787 Cb 0.34 -4.64 0.00 0.00 -1.01 0.00 0.00 64.21 58.91 3haz n SER 787 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3haz n ALA 788 N -2.72 -0.87 -1.49 -0.43 0.00 -0.36 -0.80 120.51 113.85 3haz n ALA 788 Ca -0.17 0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.25 3haz n ALA 788 Cb 0.64 -2.29 -0.06 0.00 0.00 0.00 0.00 19.45 17.74 3haz n ALA 788 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3haz n GLY 789 N -1.04 1.45 2.26 0.00 0.00 -0.54 -1.70 105.19 105.63 3haz n GLY 789 Ca -0.12 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 3haz n GLY 789 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3haz n GLN 790 N -2.55 2.39 -4.74 1.61 6.02 0.02 -3.30 117.38 116.84 3haz n GLN 790 Ca -0.15 -2.69 -0.30 0.00 -0.01 0.00 0.00 57.00 53.84 3haz n GLN 790 Cb 0.51 -2.06 -0.14 0.00 1.02 0.00 0.00 30.24 29.57 3haz n GLN 790 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3haz s ARG 791 N -3.06 1.87 0.44 -1.09 0.52 -1.26 -4.85 118.95 111.54 3haz s ARG 791 Ca 0.52 -1.08 0.25 0.00 -0.52 0.00 0.00 55.73 54.90 3haz s ARG 791 Cb 0.41 -2.06 0.87 0.00 0.52 0.00 0.00 34.95 34.69 3haz s ARG 791 CO -0.06 0.52 1.80 0.00 0.02 0.00 0.00 175.30 177.58 3haz n SER 793 N -3.31 0.20 -4.76 0.00 3.41 -1.26 -4.39 113.62 103.51 3haz n SER 793 Ca 0.01 -0.42 -0.39 0.00 -0.26 0.00 0.00 58.87 57.81 3haz n SER 793 Cb 0.44 -0.17 0.03 0.00 -0.26 0.00 0.00 64.21 64.26 3haz n SER 793 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3haz s ALA 794 N -2.47 3.01 0.05 7.33 0.00 -0.96 -4.72 121.76 124.00 3haz s ALA 794 Ca 0.31 1.41 -0.31 0.00 0.00 0.00 0.00 51.96 53.38 3haz s ALA 794 Cb 0.20 -3.59 -0.07 0.00 0.00 0.00 0.00 23.12 19.67 3haz s ALA 794 CO 0.46 -1.32 1.46 -1.17 0.00 0.00 0.00 175.76 175.19 3haz s LEU 795 N -3.17 4.34 -0.03 0.00 2.96 -0.37 -4.24 118.68 118.17 3haz s LEU 795 Ca 0.67 2.26 0.04 0.00 -0.22 0.00 0.00 54.13 56.87 3haz s LEU 795 Cb -0.42 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.64 3haz s LEU 795 CO 0.52 -0.74 0.04 0.54 -1.32 0.00 0.00 176.35 175.39 3haz n ARG 796 N 5.05 2.31 -3.64 1.98 5.12 0.50 -4.32 116.66 123.65 3haz n ARG 796 Ca 0.13 -0.01 -0.27 0.00 -1.93 0.00 0.00 57.85 55.77 3haz n ARG 796 Cb 0.42 -1.10 -0.17 0.00 -1.16 0.00 0.00 32.46 30.46 3haz n ARG 796 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3haz s LEU 797 N -3.97 0.63 -0.24 0.55 2.96 -0.44 -1.26 118.68 116.91 3haz s LEU 797 Ca -0.02 -0.74 -0.15 0.00 -0.22 0.00 0.00 54.13 53.00 3haz s LEU 797 Cb 0.02 -0.36 -0.04 0.00 0.50 0.00 0.00 46.19 46.31 3haz s LEU 797 CO 0.17 -0.35 0.36 -0.22 -1.32 0.00 0.00 176.35 174.99 3haz s LEU 798 N 2.05 4.10 -0.21 -0.68 2.96 0.92 -0.67 118.68 127.14 3haz s LEU 798 Ca 0.02 0.37 -0.12 0.00 -0.22 0.00 0.00 54.13 54.19 3haz s LEU 798 Cb -0.16 -2.43 -0.05 0.00 0.50 0.00 0.00 46.19 44.05 3haz s LEU 798 CO -0.11 -0.11 0.20 -0.36 -1.32 0.00 0.00 176.35 174.65 3haz s PHE 799 N 1.63 3.37 -0.03 5.38 0.08 0.10 -0.43 117.98 128.09 3haz s PHE 799 Ca 0.16 0.35 0.02 0.00 0.12 0.00 0.00 56.93 57.58 3haz s PHE 799 Cb -0.15 -2.29 0.01 0.00 -0.57 0.00 0.00 43.02 40.02 3haz s PHE 799 CO 0.08 0.14 -0.06 0.54 -0.10 0.00 0.00 175.22 175.82 3haz s VAL 800 N 0.84 0.54 0.39 -0.44 0.11 -0.66 -0.89 120.40 120.30 3haz s VAL 800 Ca 0.10 -0.20 -0.27 0.00 -2.93 0.00 0.00 61.98 58.68 3haz s VAL 800 Cb -0.13 -0.51 -0.09 0.00 -1.53 0.00 0.00 36.38 34.11 3haz s VAL 800 CO 0.03 0.19 1.35 -1.10 -3.33 0.00 0.00 175.10 172.24 3haz s GLN 801 N 0.40 4.02 0.39 1.54 -0.21 -0.94 -1.56 119.66 123.30 3haz s GLN 801 Ca -0.05 2.26 0.06 0.00 0.02 0.00 0.00 55.36 57.66 3haz s GLN 801 Cb -0.09 -2.83 0.80 0.00 1.00 0.00 0.00 33.01 31.88 3haz s GLN 801 CO 0.00 -0.48 2.02 1.05 -2.12 0.00 0.00 175.29 175.75 3haz h GLU 802 N 2.81 0.64 0.00 2.91 4.11 -1.34 -1.79 114.58 121.92 3haz h GLU 802 Ca -0.50 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 58.89 3haz h GLU 802 Cb 1.24 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 3haz h GLU 802 CO 0.63 0.42 -0.02 -0.44 0.07 0.00 0.00 179.01 179.68 3haz h ASP 803 N 0.66 0.00 0.00 3.06 3.32 -1.90 -2.75 116.42 118.80 3haz h ASP 803 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3haz h ASP 803 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3haz h ASP 803 CO -0.06 0.02 0.00 1.33 -1.72 0.00 0.00 179.24 178.81 3haz n VAL 804 N -3.41 0.62 -0.18 -1.35 0.24 -0.73 -4.73 118.33 108.78 3haz n VAL 804 Ca -0.03 -0.77 -0.08 0.00 -2.04 0.00 0.00 64.34 61.42 3haz n VAL 804 Cb 0.11 0.71 0.02 0.00 -1.47 0.00 0.00 33.84 33.21 3haz n VAL 804 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3haz h ALA 805 N 0.00 0.68 -0.40 2.33 0.00 -1.08 -1.02 119.26 119.77 3haz h ALA 805 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3haz h ALA 805 Cb 0.38 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3haz h ALA 805 CO 0.00 0.25 0.13 -0.44 0.00 0.00 0.00 179.25 179.19 3haz h ASP 806 N 0.71 0.59 -0.09 0.00 3.32 -1.88 0.10 116.42 119.17 3haz h ASP 806 Ca 0.18 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3haz h ASP 806 Cb 0.12 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 3haz h ASP 806 CO -0.02 0.63 -0.05 -0.09 -1.72 0.00 0.00 179.24 177.99 3haz h ARG 807 N 0.51 0.19 -0.59 3.56 9.65 -1.89 -1.79 114.38 124.02 3haz h ARG 807 Ca 0.13 -0.09 -0.00 0.00 -1.10 0.00 0.00 59.98 58.92 3haz h ARG 807 Cb 0.25 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.80 3haz h ARG 807 CO -0.00 0.57 0.35 0.52 2.80 0.00 0.00 179.97 184.20 3haz h MET 808 N -0.20 0.80 -0.29 0.20 2.86 -1.07 -0.22 114.93 117.02 3haz h MET 808 Ca 0.02 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3haz h MET 808 Cb 0.52 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 3haz h MET 808 CO 0.01 0.58 0.06 0.82 1.06 0.00 0.00 176.91 179.45 3haz h ILE 809 N 0.79 1.22 -0.64 -1.22 2.04 -0.83 -1.24 117.51 117.63 3haz h ILE 809 Ca 0.21 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.32 3haz h ILE 809 Cb -0.01 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 3haz h ILE 809 CO -0.04 0.25 0.41 -0.08 0.00 0.00 0.00 178.15 178.69 3haz h GLU 810 N 0.31 0.85 -0.07 2.37 4.81 -1.14 -1.28 114.58 120.43 3haz h GLU 810 Ca 0.09 -0.06 -0.24 0.00 -0.13 0.00 0.00 59.36 59.02 3haz h GLU 810 Cb 0.31 -0.19 0.02 0.00 0.63 0.00 0.00 28.75 29.52 3haz h GLU 810 CO 0.00 0.57 -0.90 1.98 -0.73 0.00 0.00 179.01 179.93 3haz h MET 811 N 0.87 0.73 -0.51 1.92 4.05 -0.71 -1.46 114.93 119.81 3haz h MET 811 Ca 0.23 -0.69 -0.00 0.00 -0.28 0.00 0.00 59.70 58.96 3haz h MET 811 Cb -0.08 0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 3haz h MET 811 CO -0.05 1.28 0.32 0.28 0.23 0.00 0.00 176.91 178.97 3haz h VAL 812 N 0.43 1.15 -0.41 -5.77 2.07 -1.07 0.19 116.25 112.83 3haz h VAL 812 Ca -0.09 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 3haz h VAL 812 Cb 1.55 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3haz h VAL 812 CO 0.18 0.15 0.16 0.00 0.02 0.00 0.00 177.57 178.08 3haz h ALA 813 N 1.16 0.54 -0.62 1.67 0.00 -1.21 0.15 119.26 120.94 3haz h ALA 813 Ca 0.18 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3haz h ALA 813 Cb -0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3haz h ALA 813 CO -0.04 0.15 0.11 0.78 0.00 0.00 0.00 179.25 180.26 3haz h GLY 814 N 0.52 1.08 1.02 0.00 0.00 -1.14 -1.50 103.07 103.06 3haz h GLY 814 Ca 0.14 -0.69 -0.09 0.00 0.00 0.00 0.00 47.33 46.69 3haz h GLY 814 CO -0.01 0.64 -0.03 0.00 0.00 0.00 0.00 176.54 177.14 3haz h ALA 815 N 1.17 0.67 -0.34 3.60 0.00 -0.69 -3.03 119.26 120.64 3haz h ALA 815 Ca 0.19 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3haz h ALA 815 Cb 0.39 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3haz h ALA 815 CO 0.01 0.51 0.01 0.00 0.00 0.00 0.00 179.25 179.78 3haz h ALA 816 N 0.92 1.40 0.00 0.00 0.00 -0.37 -1.57 119.26 119.64 3haz h ALA 816 Ca 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3haz h ALA 816 Cb 0.55 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3haz h ALA 816 CO 0.03 0.43 -0.07 -0.09 0.00 0.00 0.00 179.25 179.55 3haz h ARG 817 N 0.50 0.00 -0.00 0.00 2.43 -1.16 -2.41 114.38 113.74 3haz h ARG 817 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3haz h ARG 817 Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3haz h ARG 817 CO 0.01 0.07 -0.12 0.39 -1.51 0.00 0.00 179.97 178.80 3haz n GLU 818 N -3.56 0.75 -2.47 0.20 -0.58 -0.59 -4.85 120.64 109.53 3haz n GLU 818 Ca -0.02 -0.29 -0.42 0.00 -0.42 0.00 0.00 57.16 56.01 3haz n GLU 818 Cb 0.18 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.53 3haz n GLU 818 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3haz s LEU 819 N -2.45 4.32 -0.15 -4.62 1.43 -0.91 -4.98 118.68 111.32 3haz s LEU 819 Ca 0.29 1.86 -0.29 0.00 -1.03 0.00 0.00 54.13 54.96 3haz s LEU 819 Cb 0.20 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.85 3haz s LEU 819 CO 0.47 -0.52 1.01 -0.75 0.23 0.00 0.00 176.35 176.79 3haz s LYS 820 N 1.73 4.36 -0.15 1.70 2.20 -1.26 -4.91 119.74 123.41 3haz s LYS 820 Ca 0.56 1.36 -0.05 0.00 -0.36 0.00 0.00 55.97 57.48 3haz s LYS 820 Cb -0.26 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.45 3haz s LYS 820 CO 0.25 -0.41 0.01 0.42 -0.36 0.00 0.00 175.35 175.26 3haz s ILE 821 N 2.39 4.38 -3.99 5.43 1.01 -1.26 0.50 121.20 129.66 3haz s ILE 821 Ca 0.46 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.92 3haz s ILE 821 Cb -0.17 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.37 3haz s ILE 821 CO 0.14 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.19 3haz n GLY 822 N 3.27 -0.51 3.65 6.18 0.00 -0.68 -4.78 105.19 112.33 3haz n GLY 822 Ca -0.17 -0.97 -0.49 0.00 0.00 0.00 0.00 46.02 44.39 3haz n GLY 822 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3haz n ASP 823 N 0.00 3.25 0.24 1.61 -0.08 -1.26 -4.31 116.55 116.00 3haz n ASP 823 Ca 0.00 0.87 0.16 0.00 -1.51 0.00 0.00 54.79 54.31 3haz n ASP 823 Cb 0.00 -1.36 0.87 0.00 2.34 0.00 0.00 41.12 42.97 3haz n ASP 823 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3haz h PRO 824 N 9.86 0.00 0.00 -0.67 0.13 -1.88 -1.64 132.00 137.80 3haz h PRO 824 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 3haz h PRO 824 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 3haz h PRO 824 CO 0.96 0.00 -0.27 0.77 -0.23 0.00 0.00 178.00 179.23 3haz h SER 825 N 0.00 0.00 -2.97 1.44 0.02 -1.88 -3.35 113.55 106.80 3haz h SER 825 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 3haz h SER 825 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3haz h SER 825 CO 0.00 0.04 0.77 -0.62 -1.14 0.00 0.00 176.83 175.87 3haz s ASP 826 N -6.03 6.89 0.63 3.07 2.15 -0.62 -4.90 116.67 117.85 3haz s ASP 826 Ca 0.05 2.13 0.40 0.00 0.43 0.00 0.00 52.55 55.56 3haz s ASP 826 Cb 0.06 -2.57 2.08 0.00 -0.30 0.00 0.00 42.92 42.19 3haz s ASP 826 CO 0.70 -0.66 2.25 1.62 -0.17 0.00 0.00 175.17 178.91 3haz h VAL 827 N 4.73 0.06 -0.00 1.11 3.04 -1.87 -2.00 116.25 121.32 3haz h VAL 827 Ca -0.39 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.13 3haz h VAL 827 Cb 1.19 1.16 0.00 0.00 -2.01 0.00 0.00 31.29 31.62 3haz h VAL 827 CO 0.88 0.01 -0.20 0.00 -1.01 0.00 0.00 177.57 177.25 3haz n ALA 828 N -2.11 2.86 -2.06 3.17 0.00 -1.25 -4.80 120.51 116.32 3haz n ALA 828 Ca -0.02 -0.23 -0.41 0.00 0.00 0.00 0.00 53.44 52.78 3haz n ALA 828 Cb 0.14 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.24 3haz n ALA 828 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3haz s THR 829 N -2.87 3.72 -0.19 0.00 2.01 -0.75 -4.58 115.64 112.98 3haz s THR 829 Ca 0.17 1.47 0.07 0.00 0.31 0.00 0.00 61.69 63.71 3haz s THR 829 Cb 0.19 -3.94 -0.16 0.00 0.01 0.00 0.00 72.50 68.60 3haz s THR 829 CO 0.57 0.24 -0.08 1.41 -0.69 0.00 0.00 174.62 176.08 3haz n HIS 830 N 2.43 0.00 -3.88 4.92 8.25 0.18 -4.87 115.22 122.25 3haz n HIS 830 Ca 0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.21 3haz n HIS 830 Cb 0.45 -0.80 -0.16 0.00 1.12 0.00 0.00 29.99 30.61 3haz n HIS 830 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3haz s VAL 831 N -2.40 1.13 0.20 1.59 1.01 -0.07 -4.53 120.40 117.34 3haz s VAL 831 Ca -0.19 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 3haz s VAL 831 Cb 0.06 -1.36 0.04 0.00 0.00 0.00 0.00 36.38 35.13 3haz s VAL 831 CO 0.56 0.05 0.27 0.61 0.00 0.00 0.00 175.10 176.60 3haz n GLY 832 N 4.85 -0.15 3.83 4.51 0.00 -1.26 -1.68 105.19 115.29 3haz n GLY 832 Ca -0.12 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 43.75 3haz n GLY 832 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3haz s PRO 833 N -3.33 3.22 0.80 1.61 0.04 -1.26 -4.70 135.00 131.38 3haz s PRO 833 Ca 0.17 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 62.05 3haz s PRO 833 Cb -0.01 -2.03 0.07 0.00 0.04 0.00 0.00 34.50 32.58 3haz s PRO 833 CO 0.11 -0.87 1.10 0.14 0.04 0.00 0.00 177.00 177.53 3haz s VAL 834 N -2.92 2.96 0.17 -0.36 -7.23 -0.33 -4.93 120.40 107.76 3haz s VAL 834 Ca 0.59 0.31 -0.12 0.00 -1.81 0.00 0.00 61.98 60.94 3haz s VAL 834 Cb -0.13 -3.08 0.07 0.00 0.56 0.00 0.00 36.38 33.80 3haz s VAL 834 CO 0.49 -0.41 1.74 -0.29 -0.31 0.00 0.00 175.10 176.33 3haz h ILE 835 N -1.11 1.22 -3.52 -0.62 6.09 -1.91 -3.47 117.51 114.20 3haz h ILE 835 Ca -0.47 -0.66 -0.07 0.00 -1.37 0.00 0.00 64.86 62.28 3haz h ILE 835 Cb 1.28 0.57 -0.07 0.00 0.47 0.00 0.00 36.82 39.06 3haz h ILE 835 CO 0.60 0.26 -0.01 1.51 -3.07 0.00 0.00 178.15 177.44 3haz s ASP 836 N -6.05 0.08 0.33 2.19 1.47 -1.26 -5.04 116.67 108.40 3haz s ASP 836 Ca -0.13 -1.02 0.05 0.00 1.18 0.00 0.00 52.55 52.63 3haz s ASP 836 Cb 0.13 0.67 0.68 0.00 -0.34 0.00 0.00 42.92 44.06 3haz s ASP 836 CO 0.79 -1.30 1.89 0.58 0.68 0.00 0.00 175.17 177.81 3haz h VAL 837 N 2.14 0.94 -0.65 2.11 2.07 -1.96 -1.48 116.25 119.42 3haz h VAL 837 Ca -0.26 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 3haz h VAL 837 Cb 1.25 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3haz h VAL 837 CO 0.35 0.16 0.14 -0.33 0.02 0.00 0.00 177.57 177.91 3haz h GLU 838 N 0.85 1.04 -0.12 1.57 3.07 -2.00 -1.68 114.58 117.32 3haz h GLU 838 Ca 0.42 -0.25 -0.01 0.00 -0.50 0.00 0.00 59.36 59.02 3haz h GLU 838 Cb 0.46 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.23 3haz h GLU 838 CO -0.18 0.93 0.02 0.00 -1.40 0.00 0.00 179.01 178.38 3haz h ALA 839 N 1.16 0.15 -0.80 3.43 0.00 -1.70 -2.56 119.26 118.96 3haz h ALA 839 Ca 0.21 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3haz h ALA 839 Cb 0.37 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3haz h ALA 839 CO 0.00 -0.21 0.52 -0.22 0.00 0.00 0.00 179.25 179.35 3haz h LYS 840 N -0.02 1.03 -0.55 0.00 3.64 -1.23 -1.16 116.57 118.29 3haz h LYS 840 Ca 0.04 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3haz h LYS 840 Cb 0.27 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 3haz h LYS 840 CO 0.00 0.68 0.29 1.96 -2.27 0.00 0.00 179.45 180.12 3haz h GLN 841 N 1.06 0.76 -0.54 1.90 4.20 -1.24 0.30 115.11 121.54 3haz h GLN 841 Ca 0.30 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.87 3haz h GLN 841 Cb -0.10 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 3haz h GLN 841 CO -0.07 0.60 0.18 -0.09 -0.67 0.00 0.00 178.83 178.77 3haz h ARG 842 N 0.73 0.84 -0.34 1.46 2.43 -1.16 -0.92 114.38 117.42 3haz h ARG 842 Ca 0.19 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3haz h ARG 842 Cb 0.06 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3haz h ARG 842 CO -0.03 0.76 0.10 -0.07 -1.51 0.00 0.00 179.97 179.22 3haz h LEU 843 N 0.75 0.50 -1.38 3.80 3.38 -0.87 -2.32 115.31 119.17 3haz h LEU 843 Ca 0.18 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3haz h LEU 843 Cb 0.26 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3haz h LEU 843 CO -0.01 0.58 0.09 0.44 0.09 0.00 0.00 178.44 179.63 3haz h ASP 844 N 0.39 0.47 -0.34 -0.43 3.32 -0.23 -0.54 116.42 119.06 3haz h ASP 844 Ca 0.11 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 3haz h ASP 844 Cb 0.26 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3haz h ASP 844 CO -0.00 0.47 -0.00 0.00 -1.72 0.00 0.00 179.24 177.98 3haz h ALA 845 N 1.60 0.46 -0.76 3.45 0.00 -0.97 -0.75 119.26 122.30 3haz h ALA 845 Ca 0.12 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3haz h ALA 845 Cb 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3haz h ALA 845 CO -0.00 0.23 0.31 1.25 0.00 0.00 0.00 179.25 181.03 3haz h HIS 846 N 0.41 1.15 -0.33 0.00 -0.00 -0.90 -1.63 115.15 113.85 3haz h HIS 846 Ca 0.10 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.37 3haz h HIS 846 Cb 0.46 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 27.50 3haz h HIS 846 CO 0.04 0.87 0.17 0.82 -0.00 0.00 0.00 177.93 179.83 3haz h ILE 847 N 1.10 1.15 -0.47 6.26 2.04 -0.98 0.35 117.51 126.96 3haz h ILE 847 Ca 0.25 -0.40 0.03 0.00 1.00 0.00 0.00 64.86 65.75 3haz h ILE 847 Cb 0.20 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 3haz h ILE 847 CO -0.02 0.15 0.25 0.00 0.00 0.00 0.00 178.15 178.53 3haz h ALA 848 N 1.03 0.59 -0.51 1.87 0.00 -0.94 -0.80 119.26 120.50 3haz h ALA 848 Ca 0.12 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3haz h ALA 848 Cb 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3haz h ALA 848 CO -0.02 -0.09 0.23 -0.09 0.00 0.00 0.00 179.25 179.29 3haz h ARG 849 N 0.49 0.75 -0.40 0.00 1.12 -1.08 -2.96 114.38 112.31 3haz h ARG 849 Ca 0.20 -0.12 -0.08 0.00 -1.11 0.00 0.00 59.98 58.87 3haz h ARG 849 Cb 0.08 -0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 29.89 3haz h ARG 849 CO -0.12 0.64 -0.08 0.52 -3.11 0.00 0.00 179.97 177.81 3haz h MET 850 N 0.69 0.68 -0.34 0.20 2.07 -0.57 -2.29 114.93 115.37 3haz h MET 850 Ca 0.17 -0.20 0.06 0.00 -2.07 0.00 0.00 59.70 57.66 3haz h MET 850 Cb 0.14 -0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 29.79 3haz h MET 850 CO -0.02 0.75 0.23 0.87 1.07 0.00 0.00 176.91 179.81 3haz h LYS 851 N 0.63 0.21 -0.00 1.72 1.57 -0.98 0.21 116.57 119.92 3haz h LYS 851 Ca 0.12 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3haz h LYS 851 Cb 0.51 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3haz h LYS 851 CO 0.03 0.14 -0.54 0.25 -0.57 0.00 0.00 179.45 178.76 3haz n THR 852 N -4.48 0.00 0.00 -0.16 -2.24 -0.91 -4.39 114.28 102.11 3haz n THR 852 Ca 0.04 -0.06 0.04 0.00 -2.27 0.00 0.00 64.05 61.80 3haz n THR 852 Cb 0.26 0.54 -0.05 0.00 -2.10 0.00 0.00 70.33 68.97 3haz n THR 852 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3haz n GLU 853 N -1.14 0.30 -3.88 -0.78 4.71 -0.71 -5.08 120.64 114.06 3haz n GLU 853 Ca 0.07 -0.06 -0.09 0.00 -0.01 0.00 0.00 57.16 57.07 3haz n GLU 853 Cb 0.35 -1.16 -0.07 0.00 -1.01 0.00 0.00 31.44 29.55 3haz n GLU 853 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3haz s ALA 854 N -2.47 -0.19 0.17 0.62 0.00 0.65 -4.90 121.76 115.63 3haz s ALA 854 Ca -0.02 -0.67 -0.31 0.00 0.00 0.00 0.00 51.96 50.96 3haz s ALA 854 Cb 0.05 0.62 -0.09 0.00 0.00 0.00 0.00 23.12 23.69 3haz s ALA 854 CO 0.29 -0.56 1.45 0.50 0.00 0.00 0.00 175.76 177.44 3haz s ARG 855 N -3.89 4.28 -0.35 0.00 3.52 -0.95 -4.55 118.95 117.02 3haz s ARG 855 Ca 0.09 2.21 -0.21 0.00 -0.13 0.00 0.00 55.73 57.68 3haz s ARG 855 Cb 0.04 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 3haz s ARG 855 CO -0.08 -0.47 0.67 -1.17 -0.81 0.00 0.00 175.30 173.45 3haz s LEU 856 N 0.68 4.21 -0.06 -0.88 2.96 -1.26 -1.13 118.68 123.20 3haz s LEU 856 Ca 0.64 0.25 0.14 0.00 -0.22 0.00 0.00 54.13 54.94 3haz s LEU 856 Cb -0.40 -2.85 -0.22 0.00 0.50 0.00 0.00 46.19 43.22 3haz s LEU 856 CO 0.34 -0.60 0.59 1.41 -1.32 0.00 0.00 176.35 176.77 3haz n HIS 857 N 6.09 0.84 -3.64 5.38 8.25 0.10 -4.97 115.22 127.28 3haz n HIS 857 Ca -0.00 0.30 -0.08 0.00 -0.26 0.00 0.00 57.72 57.67 3haz n HIS 857 Cb 0.49 -1.14 -0.07 0.00 1.12 0.00 0.00 29.99 30.38 3haz n HIS 857 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3haz s PHE 858 N -2.62 -0.93 -0.31 4.41 2.19 -1.12 -4.94 117.98 114.66 3haz s PHE 858 Ca -0.05 1.95 -0.01 0.00 0.33 0.00 0.00 56.93 59.15 3haz s PHE 858 Cb 0.08 0.51 0.10 0.00 -1.31 0.00 0.00 43.02 42.40 3haz s PHE 858 CO 0.83 -0.46 0.11 0.00 1.83 0.00 0.00 175.22 177.53 3haz s ALA 859 N 1.23 1.43 0.93 11.12 0.00 -1.26 -1.11 121.76 134.09 3haz s ALA 859 Ca -0.07 -1.64 -0.11 0.00 0.00 0.00 0.00 51.96 50.14 3haz s ALA 859 Cb -0.05 -1.60 0.15 0.00 0.00 0.00 0.00 23.12 21.62 3haz s ALA 859 CO -0.14 -1.69 1.09 0.20 0.00 0.00 0.00 175.76 175.22 3haz s GLY 860 N 1.62 1.62 -0.11 0.00 0.00 -0.84 -5.00 107.32 104.61 3haz s GLY 860 Ca 0.10 0.04 -0.24 0.00 0.00 0.00 0.00 44.72 44.63 3haz s GLY 860 CO -0.25 0.54 0.73 -4.14 0.00 0.00 0.00 173.10 169.98 3haz s PRO 861 N -4.82 4.37 0.01 2.90 0.02 -1.26 -4.72 135.00 131.49 3haz s PRO 861 Ca 0.64 0.88 0.05 0.00 0.02 0.00 0.00 61.00 62.59 3haz s PRO 861 Cb -0.20 -3.50 -0.03 0.00 0.02 0.00 0.00 34.50 30.79 3haz s PRO 861 CO 0.58 -0.09 -0.13 0.00 -0.33 0.00 0.00 177.00 177.04 3haz s ALA 862 N 1.32 2.78 0.64 -1.55 0.00 -1.26 -4.84 121.76 118.85 3haz s ALA 862 Ca 0.36 -1.08 -0.15 0.00 0.00 0.00 0.00 51.96 51.09 3haz s ALA 862 Cb -0.17 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 3haz s ALA 862 CO 0.16 0.59 1.09 -2.14 0.00 0.00 0.00 175.76 175.45 3haz s PRO 863 N -1.29 2.97 0.42 0.00 0.02 -1.26 -4.98 135.00 130.87 3haz s PRO 863 Ca 0.15 1.29 -0.24 0.00 0.02 0.00 0.00 61.00 62.22 3haz s PRO 863 Cb -0.11 -1.98 -0.10 0.00 0.02 0.00 0.00 34.50 32.33 3haz s PRO 863 CO 0.05 -1.11 1.08 -0.85 -0.33 0.00 0.00 177.00 175.85 3haz n GLU 864 N -2.36 1.49 0.00 5.54 0.00 -1.26 -4.48 120.64 119.57 3haz n GLU 864 Ca 0.10 0.53 0.00 0.00 0.00 0.00 0.00 57.16 57.79 3haz n GLU 864 Cb 0.52 -2.13 0.00 0.00 0.00 0.00 0.00 31.44 29.83 3haz n GLU 864 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3haz n GLY 865 N 1.09 -0.04 2.31 -1.84 0.00 -1.26 -4.77 105.19 100.68 3haz n GLY 865 Ca 0.09 -2.25 -0.17 0.00 0.00 0.00 0.00 46.02 43.68 3haz n GLY 865 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3haz s PHE 867 N 2.22 2.64 -0.10 0.00 0.40 -1.26 -1.18 117.98 120.70 3haz s PHE 867 Ca 0.49 -0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.62 3haz s PHE 867 Cb 0.18 -1.59 0.02 0.00 0.51 0.00 0.00 43.02 42.15 3haz s PHE 867 CO -0.02 0.18 -0.08 0.08 0.70 0.00 0.00 175.22 176.07 3haz s VAL 868 N -0.76 1.02 0.64 -0.44 1.01 -1.26 -4.90 120.40 115.70 3haz s VAL 868 Ca 0.12 -0.31 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 3haz s VAL 868 Cb -0.11 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 3haz s VAL 868 CO 0.01 0.36 1.04 0.00 0.00 0.00 0.00 175.10 176.51 3haz s ALA 869 N 1.47 3.02 0.29 5.51 0.00 -1.26 -4.76 121.76 126.03 3haz s ALA 869 Ca 0.00 -0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.58 3haz s ALA 869 Cb -0.13 -3.09 -0.13 0.00 0.00 0.00 0.00 23.12 19.77 3haz s ALA 869 CO -0.05 -0.81 1.34 -2.30 0.00 0.00 0.00 175.76 173.93 3haz n PRO 870 N -2.83 2.04 -4.44 0.00 -0.02 -1.26 -4.72 135.00 123.77 3haz n PRO 870 Ca 0.06 0.72 -0.20 0.00 -2.02 0.00 0.00 63.50 62.06 3haz n PRO 870 Cb 0.54 -2.33 -0.14 0.00 -0.02 0.00 0.00 33.50 31.55 3haz n PRO 870 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3haz s HIS 871 N -0.56 1.18 -0.13 6.00 3.76 -0.22 -1.98 115.29 123.35 3haz s HIS 871 Ca 0.62 -0.30 -0.00 0.00 -0.15 0.00 0.00 55.06 55.23 3haz s HIS 871 Cb -0.62 -0.73 0.02 0.00 1.11 0.00 0.00 32.58 32.37 3haz s HIS 871 CO 0.56 0.01 -0.11 0.42 -0.85 0.00 0.00 174.74 174.77 3haz s ILE 872 N -0.63 1.26 0.05 0.60 1.01 -0.27 -0.36 121.20 122.86 3haz s ILE 872 Ca 0.03 -0.44 0.07 0.00 0.00 0.00 0.00 60.65 60.31 3haz s ILE 872 Cb -0.07 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 3haz s ILE 872 CO 0.01 0.41 -0.18 -0.36 0.00 0.00 0.00 174.94 174.81 3haz s PHE 873 N 1.58 2.56 -0.18 3.97 0.40 -0.02 -0.72 117.98 125.57 3haz s PHE 873 Ca 0.04 -0.25 -0.05 0.00 -0.60 0.00 0.00 56.93 56.07 3haz s PHE 873 Cb -0.13 -1.45 -0.03 0.00 0.51 0.00 0.00 43.02 41.92 3haz s PHE 873 CO -0.09 0.27 -0.00 -2.00 0.70 0.00 0.00 175.22 174.10 3haz s GLU 874 N -1.54 3.70 0.18 0.44 2.12 -0.28 0.16 118.70 123.48 3haz s GLU 874 Ca 0.15 -0.49 -0.05 0.00 0.36 0.00 0.00 54.97 54.94 3haz s GLU 874 Cb -0.11 -3.04 -0.06 0.00 0.26 0.00 0.00 34.13 31.19 3haz s GLU 874 CO 0.06 0.15 0.43 -0.51 -0.54 0.00 0.00 175.26 174.84 3haz s LEU 875 N 0.65 4.22 0.09 2.70 1.02 0.75 -2.24 118.68 125.86 3haz s LEU 875 Ca -0.00 0.63 -0.16 0.00 0.02 0.00 0.00 54.13 54.61 3haz s LEU 875 Cb -0.14 -3.38 -0.09 0.00 0.02 0.00 0.00 46.19 42.60 3haz s LEU 875 CO 0.02 -0.01 1.43 0.74 0.02 0.00 0.00 176.35 178.55 3haz h THR 876 N 1.87 1.30 -3.83 5.49 2.02 -1.90 -3.42 112.91 114.45 3haz h THR 876 Ca -0.47 -1.32 -0.13 0.00 0.77 0.00 0.00 66.41 65.26 3haz h THR 876 Cb 1.17 1.57 -0.18 0.00 -1.74 0.00 0.00 68.15 68.98 3haz h THR 876 CO 0.71 0.42 -0.54 -1.83 0.37 0.00 0.00 175.52 174.64 3haz s GLU 877 N -4.47 0.57 0.48 6.66 -1.05 -1.26 -4.91 118.70 114.73 3haz s GLU 877 Ca -0.13 -0.76 0.14 0.00 -0.15 0.00 0.00 54.97 54.07 3haz s GLU 877 Cb 0.08 0.22 1.13 0.00 -0.44 0.00 0.00 34.13 35.12 3haz s GLU 877 CO 0.80 -0.14 2.08 0.00 0.95 0.00 0.00 175.26 178.95 3haz h ALA 878 N 3.69 1.86 0.00 -0.84 0.00 -1.96 -1.89 119.26 120.12 3haz h ALA 878 Ca -0.33 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3haz h ALA 878 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3haz h ALA 878 CO 0.51 0.11 0.27 0.78 0.00 0.00 0.00 179.25 180.91 3haz h GLY 879 N 0.25 0.00 2.00 0.00 0.00 -1.96 0.75 103.07 104.10 3haz h GLY 879 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 3haz h GLY 879 CO 0.01 0.00 -0.08 1.46 0.00 0.00 0.00 176.54 177.93 3haz h GLN 880 N 0.00 0.00 -4.88 4.80 4.20 -1.78 -3.39 115.11 114.06 3haz h GLN 880 Ca 0.00 0.00 -0.68 0.00 0.06 0.00 0.00 58.65 58.03 3haz h GLN 880 Cb 0.53 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.13 3haz h GLN 880 CO 0.00 0.08 -0.24 -1.17 -0.67 0.00 0.00 178.83 176.82 3haz s LEU 881 N -6.42 4.73 0.00 1.46 2.96 0.25 -4.91 118.68 116.75 3haz s LEU 881 Ca 0.01 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.39 3haz s LEU 881 Cb 0.09 -2.36 0.00 0.00 0.50 0.00 0.00 46.19 44.42 3haz s LEU 881 CO 0.58 -0.49 0.30 0.35 -1.32 0.00 0.00 176.35 175.76 3haz n THR 882 N 5.36 0.00 -4.16 3.68 -2.24 -1.26 -5.03 114.28 110.63 3haz n THR 882 Ca -0.08 -0.49 -0.12 0.00 -2.27 0.00 0.00 64.05 61.09 3haz n THR 882 Cb 0.48 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.62 3haz n THR 882 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3haz s GLU 883 N -0.39 0.80 -0.23 -0.78 2.02 -1.26 -5.10 118.70 113.75 3haz s GLU 883 Ca 0.00 -1.20 -0.29 0.00 0.02 0.00 0.00 54.97 53.50 3haz s GLU 883 Cb 0.00 -0.33 -0.01 0.00 0.10 0.00 0.00 34.13 33.90 3haz s GLU 883 CO 0.00 0.02 1.28 -2.00 0.02 0.00 0.00 175.26 174.59 3haz s GLU 884 N -3.17 4.07 -0.33 1.61 2.12 -1.26 -4.95 118.70 116.79 3haz s GLU 884 Ca 0.07 1.46 -0.09 0.00 0.36 0.00 0.00 54.97 56.77 3haz s GLU 884 Cb 0.00 -3.82 0.02 0.00 0.26 0.00 0.00 34.13 30.59 3haz s GLU 884 CO -0.02 -0.91 0.15 0.08 -0.54 0.00 0.00 175.26 174.01 3haz s VAL 885 N 3.94 4.30 -1.39 3.70 1.01 -1.26 -5.01 120.40 125.68 3haz s VAL 885 Ca 0.55 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.69 3haz s VAL 885 Cb -0.19 -3.31 0.08 0.00 0.00 0.00 0.00 36.38 32.96 3haz s VAL 885 CO 0.19 -0.08 2.34 0.33 0.00 0.00 0.00 175.10 177.88 3haz n PHE 886 N 4.93 2.78 -3.24 5.22 7.35 -1.26 -4.81 117.46 128.43 3haz n PHE 886 Ca -0.13 -2.89 -0.03 0.00 -0.76 0.00 0.00 57.45 53.64 3haz n PHE 886 Cb 0.47 -2.10 0.01 0.00 0.35 0.00 0.00 39.48 38.21 3haz n PHE 886 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3haz n GLY 887 N 2.73 1.68 2.34 7.13 0.00 -1.21 -4.60 105.19 113.27 3haz n GLY 887 Ca 0.58 -1.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 3haz n GLY 887 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3haz n PRO 888 N -0.16 2.86 -3.85 1.61 -0.05 -0.69 -4.33 135.00 130.39 3haz n PRO 888 Ca -0.03 -1.72 -0.30 0.00 -0.05 0.00 0.00 63.50 61.40 3haz n PRO 888 Cb 0.18 -2.53 -0.15 0.00 -0.05 0.00 0.00 33.50 30.95 3haz n PRO 888 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 3haz s ILE 889 N 2.33 1.27 -0.05 0.52 1.01 -1.26 -1.05 121.20 123.97 3haz s ILE 889 Ca 0.59 -1.37 -0.18 0.00 0.00 0.00 0.00 60.65 59.69 3haz s ILE 889 Cb 0.18 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 3haz s ILE 889 CO -0.04 -0.40 0.49 -0.22 0.00 0.00 0.00 174.94 174.77 3haz s LEU 890 N 1.46 4.38 -0.07 2.97 2.96 0.51 -4.79 118.68 126.10 3haz s LEU 890 Ca 0.03 0.97 0.02 0.00 -0.22 0.00 0.00 54.13 54.92 3haz s LEU 890 Cb -0.18 -2.73 -0.03 0.00 0.50 0.00 0.00 46.19 43.75 3haz s LEU 890 CO -0.13 0.13 -0.10 -1.00 -1.32 0.00 0.00 176.35 173.92 3haz s HIS 891 N -0.13 2.83 -0.03 5.38 3.76 -0.39 -0.84 115.29 125.87 3haz s HIS 891 Ca 0.27 -0.11 0.04 0.00 -0.15 0.00 0.00 55.06 55.11 3haz s HIS 891 Cb -0.17 -1.69 -0.01 0.00 1.11 0.00 0.00 32.58 31.83 3haz s HIS 891 CO 0.13 0.22 -0.16 0.08 -0.85 0.00 0.00 174.74 174.16 3haz s VAL 892 N -0.67 1.35 -0.09 -0.90 1.01 0.12 -0.06 120.40 121.18 3haz s VAL 892 Ca 0.10 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.41 3haz s VAL 892 Cb -0.11 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.12 3haz s VAL 892 CO 0.01 0.39 -0.15 -0.69 0.00 0.00 0.00 175.10 174.66 3haz s VAL 893 N -0.06 1.42 0.18 2.92 1.01 0.43 -0.18 120.40 126.12 3haz s VAL 893 Ca -0.01 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 3haz s VAL 893 Cb -0.10 -1.28 -0.06 0.00 0.00 0.00 0.00 36.38 34.94 3haz s VAL 893 CO 0.01 0.42 0.44 0.00 0.00 0.00 0.00 175.10 175.97 3haz s ARG 894 N 0.72 3.68 0.05 2.72 1.70 -1.26 -1.65 118.95 124.91 3haz s ARG 894 Ca -0.13 0.03 -0.05 0.00 -0.47 0.00 0.00 55.73 55.11 3haz s ARG 894 Cb -0.16 -2.77 -0.01 0.00 -0.57 0.00 0.00 34.95 31.44 3haz s ARG 894 CO 0.03 0.41 0.09 1.52 -1.08 0.00 0.00 175.30 176.27 3haz s TYR 895 N -1.73 0.24 0.12 5.89 -0.85 -0.60 -4.90 117.35 115.52 3haz s TYR 895 Ca 0.43 -0.59 -0.25 0.00 -0.52 0.00 0.00 57.07 56.14 3haz s TYR 895 Cb -0.12 -0.16 -0.07 0.00 0.38 0.00 0.00 41.96 41.99 3haz s TYR 895 CO 0.24 -0.40 0.76 -0.98 -1.52 0.00 0.00 175.55 173.65 3haz s ARG 896 N -2.98 4.52 0.48 -3.49 1.04 -1.26 -0.84 118.95 116.41 3haz s ARG 896 Ca -0.02 1.10 0.22 0.00 -1.04 0.00 0.00 55.73 55.99 3haz s ARG 896 Cb 0.01 -3.29 1.23 0.00 -2.04 0.00 0.00 34.95 30.87 3haz s ARG 896 CO -0.06 0.49 1.93 -1.35 -0.04 0.00 0.00 175.30 176.27 3haz h PRO 897 N 4.73 0.21 0.00 3.89 0.11 -1.98 0.40 132.00 139.35 3haz h PRO 897 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3haz h PRO 897 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3haz h PRO 897 CO 0.67 0.14 0.00 -0.85 -0.21 0.00 0.00 178.00 177.75 3haz n GLU 898 N -4.42 0.29 -0.58 1.05 0.00 -1.26 -3.41 120.64 112.32 3haz n GLU 898 Ca 0.14 0.06 0.06 0.00 0.00 0.00 0.00 57.16 57.42 3haz n GLU 898 Cb 0.65 -1.50 0.27 0.00 0.00 0.00 0.00 31.44 30.86 3haz n GLU 898 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3haz n ASN 899 N -1.32 3.96 -0.24 -1.84 3.02 0.14 -4.64 115.26 114.35 3haz n ASN 899 Ca 0.11 -3.12 0.12 0.00 -0.03 0.00 0.00 54.58 51.65 3haz n ASN 899 Cb 0.20 -0.59 0.40 0.00 -0.61 0.00 0.00 39.78 39.19 3haz n ASN 899 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3haz h LEU 900 N 1.96 0.59 -0.47 3.41 5.85 -1.65 -0.77 115.31 124.23 3haz h LEU 900 Ca 0.05 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.88 3haz h LEU 900 Cb 1.60 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.48 3haz h LEU 900 CO 0.31 0.31 0.09 -0.08 -0.34 0.00 0.00 178.44 178.74 3haz h GLU 901 N 0.64 0.22 -0.90 1.25 4.57 -1.90 0.48 114.58 118.94 3haz h GLU 901 Ca 0.42 -0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.67 3haz h GLU 901 Cb 0.70 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 29.17 3haz h GLU 901 CO -0.17 0.15 0.55 -0.09 -1.18 0.00 0.00 179.01 178.27 3haz h ARG 902 N 0.23 0.92 -0.44 1.92 2.43 -1.51 0.38 114.38 118.32 3haz h ARG 902 Ca 0.24 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 3haz h ARG 902 Cb 0.31 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3haz h ARG 902 CO -0.31 0.61 0.15 0.28 -1.51 0.00 0.00 179.97 179.19 3haz h VAL 903 N 0.95 1.21 -0.58 0.20 2.07 -0.70 -0.38 116.25 119.02 3haz h VAL 903 Ca 0.42 -0.70 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 3haz h VAL 903 Cb 0.31 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3haz h VAL 903 CO -0.22 0.25 -0.03 -0.07 0.02 0.00 0.00 177.57 177.52 3haz h LEU 904 N 0.56 1.04 -0.58 2.57 3.38 -0.31 -1.56 115.31 120.40 3haz h LEU 904 Ca 0.14 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3haz h LEU 904 Cb 0.24 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3haz h LEU 904 CO -0.01 1.10 0.30 0.03 0.09 0.00 0.00 178.44 179.95 3haz h ARG 905 N 0.95 0.82 -0.86 1.13 3.08 -0.81 -0.85 114.38 117.85 3haz h ARG 905 Ca 0.16 -0.11 0.09 0.00 0.07 0.00 0.00 59.98 60.19 3haz h ARG 905 Cb 0.59 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 30.43 3haz h ARG 905 CO 0.04 0.65 0.56 0.00 -1.07 0.00 0.00 179.97 180.15 3haz h ALA 906 N 1.13 1.64 -0.13 0.04 0.00 -0.67 -0.58 119.26 120.70 3haz h ALA 906 Ca 0.20 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 3haz h ALA 906 Cb 0.08 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.67 3haz h ALA 906 CO -0.03 0.20 -0.63 0.82 0.00 0.00 0.00 179.25 179.61 3haz h ILE 907 N 0.87 1.32 0.00 0.00 2.04 -0.89 -3.16 117.51 117.69 3haz h ILE 907 Ca 0.39 -1.89 -0.03 0.00 1.00 0.00 0.00 64.86 64.33 3haz h ILE 907 Cb 0.36 2.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.53 3haz h ILE 907 CO -0.16 0.58 -0.15 -0.33 0.00 0.00 0.00 178.15 178.09 3haz h GLU 908 N 0.31 0.00 -0.03 2.37 5.08 -0.63 -3.20 114.58 118.48 3haz h GLU 908 Ca -0.04 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 3haz h GLU 908 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 3haz h GLU 908 CO 0.13 0.15 -0.46 -0.09 -1.00 0.00 0.00 179.01 177.74 3haz h ARG 909 N 0.00 0.08 0.00 2.33 1.12 -1.08 -3.06 114.38 113.76 3haz h ARG 909 Ca -0.00 -0.04 -0.09 0.00 -1.11 0.00 0.00 59.98 58.74 3haz h ARG 909 Cb 0.33 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.28 3haz h ARG 909 CO 0.02 0.52 -0.42 1.79 -3.11 0.00 0.00 179.97 178.77 3haz h THR 910 N 0.06 1.24 0.00 0.20 1.35 -1.67 -3.46 112.91 110.63 3haz h THR 910 Ca 0.00 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.39 3haz h THR 910 Cb 0.84 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 3haz h THR 910 CO 0.06 0.41 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 3haz n GLY 911 N -0.23 2.46 3.86 5.82 0.00 -1.16 -4.98 105.19 110.96 3haz n GLY 911 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3haz n GLY 911 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3haz s TYR 912 N -2.29 3.07 -0.37 1.61 2.02 -1.26 -0.92 117.35 119.21 3haz s TYR 912 Ca 0.00 0.98 0.05 0.00 -0.37 0.00 0.00 57.07 57.72 3haz s TYR 912 Cb 0.00 -3.21 0.31 0.00 -0.40 0.00 0.00 41.96 38.65 3haz s TYR 912 CO 0.00 -1.54 1.28 0.41 -1.57 0.00 0.00 175.55 174.13 3haz n GLY 913 N -2.85 -0.57 0.00 0.71 0.00 -1.21 -4.81 105.19 96.47 3haz n GLY 913 Ca 0.07 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.54 3haz n GLY 913 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3haz n LEU 914 N 0.29 0.36 -4.42 0.99 7.94 -1.26 -1.49 117.00 119.41 3haz n LEU 914 Ca -0.04 0.05 -0.28 0.00 -1.11 0.00 0.00 56.01 54.63 3haz n LEU 914 Cb 0.73 -0.22 -0.12 0.00 0.53 0.00 0.00 43.42 44.34 3haz n LEU 914 CO -0.06 -0.22 -0.54 0.42 -1.11 0.00 0.00 177.39 175.88 3haz s THR 915 N -0.45 2.41 -0.02 1.96 -4.23 -1.26 -0.99 115.64 113.07 3haz s THR 915 Ca 0.00 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 3haz s THR 915 Cb 0.00 -2.11 0.02 0.00 1.34 0.00 0.00 72.50 71.76 3haz s THR 915 CO 0.00 0.02 0.02 -0.22 -0.54 0.00 0.00 174.62 173.90 3haz s LEU 916 N -2.30 1.24 -0.11 4.79 2.96 -0.03 -3.77 118.68 121.47 3haz s LEU 916 Ca 0.17 0.03 -0.05 0.00 -0.22 0.00 0.00 54.13 54.06 3haz s LEU 916 Cb -0.09 -0.06 -0.04 0.00 0.50 0.00 0.00 46.19 46.50 3haz s LEU 916 CO 0.08 -0.11 0.09 -0.83 -1.32 0.00 0.00 176.35 174.26 3haz s GLY 917 N 0.88 2.04 -0.09 7.98 0.00 -0.36 -0.69 107.32 117.08 3haz s GLY 917 Ca -0.07 -0.71 -0.00 0.00 0.00 0.00 0.00 44.72 43.94 3haz s GLY 917 CO -0.02 -0.42 -0.06 0.14 0.00 0.00 0.00 173.10 172.73 3haz s VAL 918 N -0.90 0.83 -0.26 1.40 1.01 0.04 -0.10 120.40 122.42 3haz s VAL 918 Ca 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 3haz s VAL 918 Cb -0.12 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.42 3haz s VAL 918 CO 0.03 0.33 -0.06 -1.00 0.00 0.00 0.00 175.10 174.40 3haz s HIS 919 N 1.62 3.12 -0.21 5.22 3.76 0.47 -0.36 115.29 128.92 3haz s HIS 919 Ca 0.02 -1.71 -0.29 0.00 -0.15 0.00 0.00 55.06 52.93 3haz s HIS 919 Cb -0.13 -2.05 0.14 0.00 1.11 0.00 0.00 32.58 31.65 3haz s HIS 919 CO -0.06 -0.77 1.07 0.45 -0.85 0.00 0.00 174.74 174.59 3haz s SER 920 N 1.28 -0.33 0.37 1.40 0.15 -1.26 -2.15 113.70 113.15 3haz s SER 920 Ca -0.02 0.45 0.23 0.00 0.70 0.00 0.00 55.95 57.31 3haz s SER 920 Cb -0.18 0.39 0.23 0.00 -1.71 0.00 0.00 66.02 64.76 3haz s SER 920 CO -0.04 -0.24 1.44 -0.09 1.20 0.00 0.00 173.24 175.51 3haz h ARG 921 N 2.92 0.00 -5.42 5.44 2.43 -1.95 -3.46 114.38 114.34 3haz h ARG 921 Ca -0.20 0.00 -0.63 0.00 -0.81 0.00 0.00 59.98 58.34 3haz h ARG 921 Cb 1.17 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.57 3haz h ARG 921 CO 0.25 0.01 0.53 0.42 -1.51 0.00 0.00 179.97 179.67 3haz s ILE 922 N -3.25 4.34 0.27 1.20 1.01 -1.26 -4.91 121.20 118.61 3haz s ILE 922 Ca 0.05 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.32 3haz s ILE 922 Cb 0.06 -4.68 0.26 0.00 0.01 0.00 0.00 42.46 38.11 3haz s ILE 922 CO 0.71 -1.45 1.72 0.44 0.00 0.00 0.00 174.94 176.36 3haz h ASP 923 N 9.55 0.39 -0.18 3.58 3.32 -1.93 -0.41 116.42 130.74 3haz h ASP 923 Ca -0.29 0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.83 3haz h ASP 923 Cb 1.07 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 3haz h ASP 923 CO 1.18 0.09 -0.05 0.44 -1.72 0.00 0.00 179.24 179.18 3haz h ASP 924 N 0.48 0.47 -0.03 6.45 3.32 -1.91 0.19 116.42 125.39 3haz h ASP 924 Ca 0.50 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.44 3haz h ASP 924 Cb 0.85 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 3haz h ASP 924 CO -0.45 0.58 -0.04 0.28 -1.72 0.00 0.00 179.24 177.89 3haz h SER 925 N 0.47 0.09 -0.60 6.45 0.02 -1.54 -1.19 113.55 117.26 3haz h SER 925 Ca 0.10 -0.52 0.09 0.00 -0.84 0.00 0.00 61.79 60.62 3haz h SER 925 Cb 0.39 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.83 3haz h SER 925 CO 0.02 0.59 0.22 0.40 -1.14 0.00 0.00 176.83 176.92 3haz h ILE 926 N -0.40 0.77 -0.14 3.27 2.04 -1.07 -1.23 117.51 120.75 3haz h ILE 926 Ca 0.00 -0.14 -0.15 0.00 1.00 0.00 0.00 64.86 65.58 3haz h ILE 926 Cb 0.57 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3haz h ILE 926 CO 0.01 0.07 -0.55 -0.33 0.00 0.00 0.00 178.15 177.35 3haz h GLU 927 N 0.40 0.43 -0.68 2.37 5.08 -0.94 -1.71 114.58 119.53 3haz h GLU 927 Ca 0.30 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 3haz h GLU 927 Cb 0.37 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 3haz h GLU 927 CO -0.30 0.87 0.13 0.00 -1.00 0.00 0.00 179.01 178.70 3haz h ALA 928 N 1.08 0.90 -0.24 3.43 0.00 -0.82 -1.36 119.26 122.26 3haz h ALA 928 Ca 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3haz h ALA 928 Cb 1.07 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3haz h ALA 928 CO 0.10 0.66 0.11 0.82 0.00 0.00 0.00 179.25 180.93 3haz h ILE 929 N 1.05 1.15 -0.47 0.00 2.04 -1.02 -2.41 117.51 117.85 3haz h ILE 929 Ca 0.21 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.65 3haz h ILE 929 Cb 0.42 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 3haz h ILE 929 CO 0.01 0.15 0.28 0.40 0.00 0.00 0.00 178.15 178.99 3haz h ILE 930 N 0.24 1.05 -1.00 -0.67 2.04 -1.19 -1.96 117.51 116.04 3haz h ILE 930 Ca 0.08 -0.19 0.09 0.00 1.00 0.00 0.00 64.86 65.84 3haz h ILE 930 Cb 0.14 0.44 -0.07 0.00 -0.74 0.00 0.00 36.82 36.58 3haz h ILE 930 CO -0.01 0.10 0.64 -0.78 0.00 0.00 0.00 178.15 178.10 3haz h ASP 931 N 0.56 0.98 0.11 1.72 3.58 -1.16 -3.18 116.42 119.03 3haz h ASP 931 Ca 0.19 0.02 -0.25 0.00 0.42 0.00 0.00 57.03 57.41 3haz h ASP 931 Cb 0.01 -0.18 0.03 0.00 1.72 0.00 0.00 39.33 40.91 3haz h ASP 931 CO -0.08 0.59 -1.06 -0.09 -2.88 0.00 0.00 179.24 175.72 3haz h ARG 932 N 1.09 0.53 -6.62 0.28 9.65 -0.89 -3.47 114.38 114.95 3haz h ARG 932 Ca 0.46 -0.71 -0.50 0.00 -1.10 0.00 0.00 59.98 58.12 3haz h ARG 932 Cb 0.31 0.24 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 3haz h ARG 932 CO -0.21 1.31 -0.07 0.14 2.80 0.00 0.00 179.97 183.94 3haz s VAL 933 N -2.91 4.99 -1.10 0.20 -7.23 -0.79 -5.01 120.40 108.54 3haz s VAL 933 Ca -0.11 0.06 0.11 0.00 -1.81 0.00 0.00 61.98 60.23 3haz s VAL 933 Cb 0.04 -3.78 0.22 0.00 0.56 0.00 0.00 36.38 33.43 3haz s VAL 933 CO 0.90 -0.48 1.10 0.00 -0.31 0.00 0.00 175.10 176.31 3haz n GLN 934 N -1.35 1.98 -1.54 4.82 6.02 -1.26 -4.91 117.38 121.14 3haz n GLN 934 Ca -0.01 -1.71 -0.42 0.00 -0.01 0.00 0.00 57.00 54.85 3haz n GLN 934 Cb 0.54 -1.25 0.01 0.00 1.02 0.00 0.00 30.24 30.56 3haz n GLN 934 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3haz n VAL 935 N 0.56 2.15 -0.11 5.09 0.31 -1.26 -4.72 118.33 120.35 3haz n VAL 935 Ca 0.10 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.81 3haz n VAL 935 Cb 0.37 -0.85 0.01 0.00 -0.91 0.00 0.00 33.84 32.46 3haz n VAL 935 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3haz h GLY 936 N 1.24 0.96 -7.01 2.92 0.00 -1.06 -3.43 103.07 96.69 3haz h GLY 936 Ca -0.42 -0.94 -0.51 0.00 0.00 0.00 0.00 47.33 45.46 3haz h GLY 936 CO 0.55 0.85 -0.78 -1.31 0.00 0.00 0.00 176.54 175.84 3haz s ASN 937 N -6.82 2.44 -0.18 0.19 -0.87 -0.16 -4.82 114.94 104.72 3haz s ASN 937 Ca -0.10 -0.49 -0.04 0.00 -1.57 0.00 0.00 52.86 50.66 3haz s ASN 937 Cb 0.12 -0.73 -0.02 0.00 -0.02 0.00 0.00 41.25 40.60 3haz s ASN 937 CO 0.87 -0.20 -0.04 -0.63 -2.57 0.00 0.00 177.10 174.53 3haz s ILE 938 N 1.77 3.71 -0.16 0.60 1.01 -1.26 -0.85 121.20 126.01 3haz s ILE 938 Ca 0.02 -0.41 -0.00 0.00 0.00 0.00 0.00 60.65 60.26 3haz s ILE 938 Cb -0.14 -2.65 -0.00 0.00 0.01 0.00 0.00 42.46 39.68 3haz s ILE 938 CO -0.07 0.46 -0.15 -0.31 0.00 0.00 0.00 174.94 174.87 3haz s TYR 939 N 0.80 2.80 -0.22 3.97 1.51 0.13 -4.97 117.35 121.37 3haz s TYR 939 Ca -0.01 -1.08 -0.04 0.00 -1.01 0.00 0.00 57.07 54.93 3haz s TYR 939 Cb -0.15 -1.91 -0.01 0.00 -0.11 0.00 0.00 41.96 39.79 3haz s TYR 939 CO 0.02 -0.51 -0.03 0.08 -1.11 0.00 0.00 175.55 174.00 3haz s VAL 940 N 0.91 3.46 -1.50 0.71 1.01 -1.26 -0.78 120.40 122.95 3haz s VAL 940 Ca -0.03 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 3haz s VAL 940 Cb -0.15 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.65 3haz s VAL 940 CO -0.01 0.41 0.33 0.59 0.00 0.00 0.00 175.10 176.41 3haz n ASN 941 N 4.81 -5.61 -3.31 3.32 3.02 0.51 -4.96 115.26 113.04 3haz n ASN 941 Ca -0.18 -0.16 -0.10 0.00 -0.03 0.00 0.00 54.58 54.11 3haz n ASN 941 Cb 0.51 -4.53 -0.01 0.00 -0.61 0.00 0.00 39.78 35.14 3haz n ASN 941 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3haz s ARG 942 N -5.32 1.98 0.95 3.52 1.70 -1.26 -5.09 118.95 115.42 3haz s ARG 942 Ca 0.16 -1.44 -0.12 0.00 -0.47 0.00 0.00 55.73 53.86 3haz s ARG 942 Cb -0.07 0.55 0.16 0.00 -0.57 0.00 0.00 34.95 35.01 3haz s ARG 942 CO 0.20 -0.88 1.09 0.54 -1.08 0.00 0.00 175.30 175.17 3haz s ASN 943 N -3.09 3.05 -0.00 -2.89 2.20 -1.26 -4.87 114.94 108.08 3haz s ASN 943 Ca 0.20 1.33 0.22 0.00 -0.94 0.00 0.00 52.86 53.68 3haz s ASN 943 Cb -0.03 -2.01 0.65 0.00 -2.00 0.00 0.00 41.25 37.86 3haz s ASN 943 CO 0.13 -2.88 1.54 0.23 -2.94 0.00 0.00 177.10 173.18 3haz n MET 944 N -4.03 2.75 -4.55 3.55 2.81 -1.26 -4.89 117.12 111.50 3haz n MET 944 Ca 0.06 -2.67 -0.26 0.00 -1.81 0.00 0.00 57.70 53.02 3haz n MET 944 Cb 0.56 -1.57 -0.11 0.00 -0.71 0.00 0.00 33.22 31.39 3haz n MET 944 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 3haz s ILE 945 N -1.01 1.80 -0.31 2.02 -4.36 -1.26 -4.79 121.20 113.30 3haz s ILE 945 Ca 0.49 -2.03 -0.02 0.00 -0.26 0.00 0.00 60.65 58.83 3haz s ILE 945 Cb 0.26 -2.87 0.00 0.00 1.25 0.00 0.00 42.46 41.10 3haz s ILE 945 CO 0.33 -0.05 0.27 0.61 0.24 0.00 0.00 174.94 176.34 3haz n GLY 946 N -0.85 0.62 3.57 6.27 0.00 -1.26 -4.96 105.19 108.58 3haz n GLY 946 Ca -0.04 -0.47 -0.49 0.00 0.00 0.00 0.00 46.02 45.02 3haz n GLY 946 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3haz n ALA 947 N -3.05 -0.81 -2.75 4.61 0.00 -1.26 -4.94 120.51 112.31 3haz n ALA 947 Ca 0.00 0.46 -0.35 0.00 0.00 0.00 0.00 53.44 53.55 3haz n ALA 947 Cb 0.51 -2.02 -0.09 0.00 0.00 0.00 0.00 19.45 17.86 3haz n ALA 947 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3haz s VAL 948 N -0.26 5.18 0.11 0.00 1.01 -1.26 -4.93 120.40 120.25 3haz s VAL 948 Ca 0.72 0.11 -0.34 0.00 0.00 0.00 0.00 61.98 62.47 3haz s VAL 948 Cb -0.85 -3.37 -0.14 0.00 0.00 0.00 0.00 36.38 32.03 3haz s VAL 948 CO 0.53 0.43 1.61 0.52 0.00 0.00 0.00 175.10 178.19 3haz n VAL 949 N 3.69 0.09 -0.39 2.92 0.31 -1.26 -0.52 118.33 123.17 3haz n VAL 949 Ca -0.16 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3haz n VAL 949 Cb 0.52 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 3haz n VAL 949 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3haz n GLY 950 N 3.51 2.21 0.74 2.92 0.00 -0.53 -4.76 105.19 109.28 3haz n GLY 950 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 3haz n GLY 950 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3haz n VAL 951 N -2.00 0.94 -3.70 1.61 0.31 -0.04 -4.84 118.33 110.61 3haz n VAL 951 Ca 0.00 0.12 -0.36 0.00 -0.01 0.00 0.00 64.34 64.10 3haz n VAL 951 Cb 0.00 -1.74 -0.09 0.00 -0.91 0.00 0.00 33.84 31.11 3haz n VAL 951 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3haz s GLN 952 N -2.23 2.84 0.03 5.55 1.11 0.32 -4.96 119.66 122.32 3haz s GLN 952 Ca -0.11 -2.91 -0.36 0.00 0.01 0.00 0.00 55.36 51.99 3haz s GLN 952 Cb 0.03 -3.79 -0.15 0.00 -1.01 0.00 0.00 33.01 28.08 3haz s GLN 952 CO 0.15 -1.22 1.53 -2.30 0.01 0.00 0.00 175.29 173.45 3haz n PRO 953 N 2.88 1.52 -4.92 2.91 -0.02 -1.26 -4.29 135.00 131.82 3haz n PRO 953 Ca 0.14 0.55 -0.33 0.00 -2.02 0.00 0.00 63.50 61.85 3haz n PRO 953 Cb 0.37 -2.26 -0.14 0.00 -0.02 0.00 0.00 33.50 31.46 3haz n PRO 953 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3haz s PHE 954 N 1.49 2.69 0.00 6.00 5.36 -0.54 -4.91 117.98 128.06 3haz s PHE 954 Ca 0.86 -0.36 0.00 0.00 -0.96 0.00 0.00 56.93 56.47 3haz s PHE 954 Cb -0.87 -1.68 0.00 0.00 -0.34 0.00 0.00 43.02 40.13 3haz s PHE 954 CO 0.48 0.03 0.00 0.41 -1.46 0.00 0.00 175.22 174.68 3haz n GLY 955 N 2.70 4.34 0.83 13.12 0.00 -1.26 -2.02 105.19 122.90 3haz n GLY 955 Ca -0.17 -0.86 -0.07 0.00 0.00 0.00 0.00 46.02 44.91 3haz n GLY 955 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3haz n GLY 956 N -1.59 3.73 0.00 -0.02 0.00 -1.26 -4.29 105.19 101.75 3haz n GLY 956 Ca 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.79 3haz n GLY 956 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3haz n ASN 957 N -1.35 0.74 0.00 1.61 6.94 -0.97 -3.58 115.26 118.65 3haz n ASN 957 Ca -0.03 -0.62 0.00 0.00 -0.02 0.00 0.00 54.58 53.90 3haz n ASN 957 Cb 0.14 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 3haz n ASN 957 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3haz n GLY 958 N 1.85 2.91 0.00 4.83 0.00 -1.26 -0.76 105.19 112.76 3haz n GLY 958 Ca 0.00 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.86 3haz n GLY 958 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3haz n LEU 959 N 0.00 0.00 -0.01 0.99 4.77 -0.09 -3.06 117.00 119.59 3haz n LEU 959 Ca 0.00 0.22 0.12 0.00 -0.03 0.00 0.00 56.01 56.32 3haz n LEU 959 Cb 0.00 -0.22 0.17 0.00 -2.33 0.00 0.00 43.42 41.04 3haz n LEU 959 CO 0.00 -0.11 0.35 -1.20 -1.33 0.00 0.00 177.39 175.10 3haz n SER 960 N -1.22 0.64 0.00 -1.43 7.64 0.06 -4.40 113.62 114.90 3haz n SER 960 Ca 0.08 -0.45 0.00 0.00 1.01 0.00 0.00 58.87 59.51 3haz n SER 960 Cb 0.11 0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 3haz n SER 960 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3haz n GLY 961 N 1.49 1.77 0.06 0.23 0.00 -1.17 -1.29 105.19 106.29 3haz n GLY 961 Ca 0.05 -1.10 -0.00 0.00 0.00 0.00 0.00 46.02 44.97 3haz n GLY 961 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3haz n THR 962 N -0.94 0.76 -0.11 2.61 -2.24 -0.44 -3.99 114.28 109.94 3haz n THR 962 Ca 0.00 -0.69 0.01 0.00 -2.27 0.00 0.00 64.05 61.10 3haz n THR 962 Cb 0.00 -0.26 -0.00 0.00 -2.10 0.00 0.00 70.33 67.97 3haz n THR 962 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3haz n GLY 963 N 1.52 -1.81 3.74 3.38 0.00 -1.26 -5.00 105.19 105.77 3haz n GLY 963 Ca -0.20 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 3haz n GLY 963 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3haz s PRO 964 N -1.83 0.50 -0.04 1.61 0.05 -1.26 -4.57 135.00 129.46 3haz s PRO 964 Ca 0.00 0.20 -0.30 0.00 0.05 0.00 0.00 61.00 60.95 3haz s PRO 964 Cb 0.00 -1.77 -0.04 0.00 0.05 0.00 0.00 34.50 32.74 3haz s PRO 964 CO 0.00 -2.62 1.21 0.15 0.05 0.00 0.00 177.00 175.80 3haz s LYS 965 N -5.29 4.35 0.46 4.56 1.02 -1.26 -4.91 119.74 118.67 3haz s LYS 965 Ca 0.66 1.70 -0.24 0.00 0.02 0.00 0.00 55.97 58.11 3haz s LYS 965 Cb -0.14 -3.54 -0.08 0.00 -0.52 0.00 0.00 37.83 33.55 3haz s LYS 965 CO 0.55 -0.44 1.32 0.00 -0.92 0.00 0.00 175.35 175.86 3haz n ALA 966 N 5.11 1.51 -1.84 5.17 0.00 -0.86 -2.80 120.51 126.80 3haz n ALA 966 Ca 0.11 0.22 -0.13 0.00 0.00 0.00 0.00 53.44 53.64 3haz n ALA 966 Cb 0.46 -2.31 -0.03 0.00 0.00 0.00 0.00 19.45 17.57 3haz n ALA 966 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3haz n GLY 967 N 0.76 0.58 3.44 0.00 0.00 -1.26 -1.47 105.19 107.24 3haz n GLY 967 Ca 0.07 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 3haz n GLY 967 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3haz s GLY 968 N -2.62 2.27 0.00 -0.02 0.00 -1.12 -1.45 107.32 104.38 3haz s GLY 968 Ca 0.00 -1.63 0.25 0.00 0.00 0.00 0.00 44.72 43.35 3haz s GLY 968 CO 0.00 -1.76 1.87 -1.55 0.00 0.00 0.00 173.10 171.66 3haz n PRO 969 N -0.74 0.48 -0.17 2.90 -0.04 -1.26 -3.05 135.00 133.11 3haz n PRO 969 Ca -0.03 0.04 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 3haz n PRO 969 Cb 0.66 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.78 3haz n PRO 969 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3haz n HIS 970 N -1.21 0.44 -0.03 0.54 8.25 -1.26 -4.72 115.22 117.23 3haz n HIS 970 Ca 0.14 -0.35 -0.11 0.00 -0.26 0.00 0.00 57.72 57.14 3haz n HIS 970 Cb 0.17 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.18 3haz n HIS 970 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 3haz h TYR 971 N 2.82 -0.04 -0.79 4.41 3.20 -1.72 -3.38 116.97 121.46 3haz h TYR 971 Ca 0.00 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3haz h TYR 971 Cb 0.76 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.01 3haz h TYR 971 CO 0.22 0.60 0.39 -0.07 -1.64 0.00 0.00 178.16 177.66 3haz h LEU 972 N -0.93 1.02 -1.40 2.82 3.38 -1.84 -2.73 115.31 115.63 3haz h LEU 972 Ca -0.00 -0.11 0.12 0.00 0.09 0.00 0.00 57.88 57.98 3haz h LEU 972 Cb 0.66 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 3haz h LEU 972 CO 0.01 0.86 0.53 0.00 0.09 0.00 0.00 178.44 179.92 3haz h ALA 973 N 1.30 1.89 0.00 1.53 0.00 -1.89 0.10 119.26 122.19 3haz h ALA 973 Ca 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3haz h ALA 973 Cb 0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3haz h ALA 973 CO -0.04 -0.09 -0.05 -0.09 0.00 0.00 0.00 179.25 178.98 3haz h ARG 974 N 0.62 0.00 -0.01 0.00 9.65 -1.66 -1.81 114.38 121.17 3haz h ARG 974 Ca 0.39 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.27 3haz h ARG 974 Cb 0.64 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 3haz h ARG 974 CO -0.15 0.05 -0.08 1.19 2.80 0.00 0.00 179.97 183.78 3haz n PHE 975 N -3.73 0.00 -4.60 2.20 3.01 0.02 -4.91 117.46 109.45 3haz n PHE 975 Ca -0.02 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.16 3haz n PHE 975 Cb 0.15 -0.10 -0.10 0.00 -0.01 0.00 0.00 39.48 39.42 3haz n PHE 975 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3haz s ALA 976 N -2.27 3.11 0.06 4.37 0.00 -0.68 -3.77 121.76 122.58 3haz s ALA 976 Ca 0.34 -2.01 0.08 0.00 0.00 0.00 0.00 51.96 50.37 3haz s ALA 976 Cb 0.21 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 3haz s ALA 976 CO 0.42 -0.15 -0.22 -0.08 0.00 0.00 0.00 175.76 175.73 3haz s THR 977 N -2.86 1.77 0.37 0.00 -1.32 0.63 -4.89 115.64 109.35 3haz s THR 977 Ca 0.32 -1.34 -0.19 0.00 -1.21 0.00 0.00 61.69 59.27 3haz s THR 977 Cb 0.09 -1.55 -0.10 0.00 -1.51 0.00 0.00 72.50 69.42 3haz s THR 977 CO 0.16 0.16 0.85 -1.61 -2.21 0.00 0.00 174.62 171.96 3haz s GLU 978 N -1.41 4.15 -0.07 7.08 2.02 -1.26 -0.37 118.70 128.84 3haz s GLU 978 Ca 0.08 0.92 -0.03 0.00 0.02 0.00 0.00 54.97 55.97 3haz s GLU 978 Cb -0.09 -2.34 0.04 0.00 0.10 0.00 0.00 34.13 31.83 3haz s GLU 978 CO 0.03 0.08 0.13 -1.14 0.02 0.00 0.00 175.26 174.38 3haz s GLN 979 N -2.99 0.04 -0.21 1.61 0.74 -0.14 -4.92 119.66 113.79 3haz s GLN 979 Ca 0.57 0.44 -0.09 0.00 0.05 0.00 0.00 55.36 56.33 3haz s GLN 979 Cb -0.10 -0.26 -0.05 0.00 1.10 0.00 0.00 33.01 33.70 3haz s GLN 979 CO 0.16 -0.24 0.11 0.99 -0.55 0.00 0.00 175.29 175.75 3haz s THR 980 N 1.76 5.09 -0.20 -0.34 2.01 -1.26 -0.63 115.64 122.06 3haz s THR 980 Ca -0.02 0.08 -0.03 0.00 0.31 0.00 0.00 61.69 62.02 3haz s THR 980 Cb -0.12 -3.33 -0.01 0.00 0.01 0.00 0.00 72.50 69.05 3haz s THR 980 CO -0.05 0.41 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.53 3haz s VAL 981 N 0.71 3.30 -0.22 3.82 1.01 -0.15 -4.97 120.40 123.91 3haz s VAL 981 Ca 0.06 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3haz s VAL 981 Cb -0.13 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.80 3haz s VAL 981 CO 0.02 0.45 -0.14 -0.89 0.00 0.00 0.00 175.10 174.53 3haz s THR 982 N 1.25 2.36 -0.18 3.92 2.01 -1.26 -1.24 115.64 122.49 3haz s THR 982 Ca 0.03 -1.08 -0.01 0.00 0.31 0.00 0.00 61.69 60.94 3haz s THR 982 Cb -0.14 -2.13 0.00 0.00 0.01 0.00 0.00 72.50 70.23 3haz s THR 982 CO -0.02 0.33 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.49 3haz s ILE 983 N 1.27 2.79 -0.48 1.82 1.01 -0.20 -4.97 121.20 122.45 3haz s ILE 983 Ca 0.01 -0.71 -0.28 0.00 0.00 0.00 0.00 60.65 59.68 3haz s ILE 983 Cb -0.15 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.09 3haz s ILE 983 CO -0.09 0.49 1.72 0.21 0.00 0.00 0.00 174.94 177.27 3haz s ASN 984 N 1.11 5.74 0.00 3.58 2.47 -1.26 -1.03 114.94 125.55 3haz s ASN 984 Ca 0.00 0.73 0.25 0.00 0.42 0.00 0.00 52.86 54.26 3haz s ASN 984 Cb -0.14 -2.53 0.54 0.00 -1.45 0.00 0.00 41.25 37.66 3haz s ASN 984 CO -0.04 -1.93 1.46 0.35 -3.72 0.00 0.00 177.10 173.22 3haz n THR 985 N 7.22 0.08 -0.32 -5.21 -2.24 0.23 -4.59 114.28 109.45 3haz n THR 985 Ca 0.20 -0.44 0.23 0.00 -2.27 0.00 0.00 64.05 61.77 3haz n THR 985 Cb 0.49 1.02 0.52 0.00 -2.10 0.00 0.00 70.33 70.27 3haz n THR 985 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3haz h ALA 986 N 4.52 2.27 0.00 6.98 0.00 -1.79 -0.64 119.26 130.60 3haz h ALA 986 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3haz h ALA 986 Cb 0.80 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3haz h ALA 986 CO 0.00 -0.67 -0.07 0.00 0.00 0.00 0.00 179.25 178.51 3haz h ALA 987 N 1.61 1.22 0.00 0.00 0.00 -1.91 -2.20 119.26 117.98 3haz h ALA 987 Ca 0.59 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.29 3haz h ALA 987 Cb 1.53 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 3haz h ALA 987 CO -0.28 0.09 -0.70 0.00 0.00 0.00 0.00 179.25 178.36 3haz h ALA 988 N 1.93 0.62 0.00 0.00 0.00 -1.47 -3.56 119.26 116.78 3haz h ALA 988 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3haz h ALA 988 Cb 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3haz h ALA 988 CO 0.01 0.88 0.00 0.41 0.00 0.00 0.00 179.25 180.55