#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iwi s LEU 11 N 0.00 4.03 0.37 1.20 1.02 -1.26 -4.43 118.68 119.61 1iwi s LEU 11 Ca 0.00 0.20 -0.24 0.00 0.02 0.00 0.00 54.13 54.11 1iwi s LEU 11 Cb 0.00 -2.01 -0.10 0.00 0.02 0.00 0.00 46.19 44.10 1iwi s LEU 11 CO 0.00 0.23 0.97 0.00 0.02 0.00 0.00 176.35 177.57 1iwi s ALA 12 N 0.02 3.13 0.28 4.21 0.00 0.39 -4.99 121.76 124.81 1iwi s ALA 12 Ca 0.08 0.53 -0.30 0.00 0.00 0.00 0.00 51.96 52.26 1iwi s ALA 12 Cb -0.12 -3.19 -0.12 0.00 0.00 0.00 0.00 23.12 19.69 1iwi s ALA 12 CO 0.00 0.08 1.54 -0.35 0.00 0.00 0.00 175.76 177.03 1iwi n PRO 13 N 0.09 2.52 -1.77 0.00 -0.04 -1.26 -4.80 135.00 129.74 1iwi n PRO 13 Ca 0.04 0.90 -0.42 0.00 -0.04 0.00 0.00 63.50 63.98 1iwi n PRO 13 Cb 0.51 -2.64 -0.03 0.00 -0.04 0.00 0.00 33.50 31.30 1iwi n PRO 13 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1iwi s LEU 14 N -0.38 4.37 0.57 1.53 2.96 -1.26 -4.97 118.68 121.50 1iwi s LEU 14 Ca 0.65 2.80 -0.19 0.00 -0.22 0.00 0.00 54.13 57.16 1iwi s LEU 14 Cb -0.53 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 42.52 1iwi s LEU 14 CO 0.49 -0.95 1.16 -2.84 -1.32 0.00 0.00 176.35 172.89 1iwi s PRO 15 N 1.47 3.18 0.37 0.98 0.02 -1.26 -4.93 135.00 134.83 1iwi s PRO 15 Ca 0.75 1.68 0.14 0.00 0.02 0.00 0.00 61.00 63.59 1iwi s PRO 15 Cb -0.48 -1.97 0.97 0.00 0.02 0.00 0.00 34.50 33.04 1iwi s PRO 15 CO 0.33 -1.00 1.79 -1.35 -0.33 0.00 0.00 177.00 176.43 1iwi h PRO 16 N 1.02 0.51 -0.00 5.54 0.11 -2.05 -2.27 132.00 134.85 1iwi h PRO 16 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1iwi h PRO 16 Cb 1.27 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1iwi h PRO 16 CO 0.56 0.34 -0.01 -2.39 -0.21 0.00 0.00 178.00 176.29 1iwi n HIS 17 N -4.66 0.00 -3.41 0.65 1.44 -1.26 -4.80 115.22 103.18 1iwi n HIS 17 Ca 0.23 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.54 1iwi n HIS 17 Cb 0.73 -0.03 -0.09 0.00 0.12 0.00 0.00 29.99 30.71 1iwi n HIS 17 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1iwi s VAL 18 N -2.08 5.17 0.24 0.61 1.01 -0.86 -4.89 120.40 119.61 1iwi s VAL 18 Ca 0.44 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 1iwi s VAL 18 Cb 0.22 -3.81 -0.10 0.00 0.00 0.00 0.00 36.38 32.69 1iwi s VAL 18 CO 0.38 -0.07 1.39 -2.84 0.00 0.00 0.00 175.10 173.95 1iwi s PRO 19 N 2.01 4.31 0.51 2.72 0.02 -1.26 -4.88 135.00 138.44 1iwi s PRO 19 Ca 0.12 2.22 0.19 0.00 0.02 0.00 0.00 61.00 63.55 1iwi s PRO 19 Cb -0.17 -3.13 1.29 0.00 0.02 0.00 0.00 34.50 32.51 1iwi s PRO 19 CO 0.12 -0.34 2.07 0.93 -0.33 0.00 0.00 177.00 179.44 1iwi h GLU 20 N 4.95 0.05 0.00 5.54 5.08 -1.97 -1.20 114.58 127.03 1iwi h GLU 20 Ca -0.46 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1iwi h GLU 20 Cb 1.22 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1iwi h GLU 20 CO 0.76 0.03 0.00 -2.39 -1.00 0.00 0.00 179.01 176.41 1iwi n HIS 21 N -4.47 0.00 0.19 4.33 1.44 -1.26 -2.09 115.22 113.36 1iwi n HIS 21 Ca 0.03 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.83 1iwi n HIS 21 Cb 0.32 -0.10 0.15 0.00 0.12 0.00 0.00 29.99 30.48 1iwi n HIS 21 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1iwi n LEU 22 N -1.10 2.92 -4.75 2.39 4.77 -0.45 -4.92 117.00 115.86 1iwi n LEU 22 Ca 0.16 -1.52 -0.40 0.00 -0.03 0.00 0.00 56.01 54.22 1iwi n LEU 22 Cb 0.12 -0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 40.97 1iwi n LEU 22 CO 0.15 0.65 0.41 -0.69 -1.33 0.00 0.00 177.39 176.58 1iwi s VAL 23 N -1.19 4.79 -0.27 4.08 1.01 -0.89 -0.39 120.40 127.53 1iwi s VAL 23 Ca 0.28 1.51 -0.00 0.00 0.00 0.00 0.00 61.98 63.76 1iwi s VAL 23 Cb 0.16 -4.06 0.16 0.00 0.00 0.00 0.00 36.38 32.64 1iwi s VAL 23 CO 0.22 0.38 0.45 0.12 0.00 0.00 0.00 175.10 176.27 1iwi s PHE 24 N -0.10 -1.12 -1.19 5.22 5.36 -0.03 -4.89 117.98 121.23 1iwi s PHE 24 Ca 0.36 0.87 -0.20 0.00 -0.96 0.00 0.00 56.93 57.01 1iwi s PHE 24 Cb -0.20 0.10 0.06 0.00 -0.34 0.00 0.00 43.02 42.65 1iwi s PHE 24 CO 0.21 -0.86 1.62 -0.51 -1.46 0.00 0.00 175.22 174.22 1iwi s ASP 25 N 2.63 6.71 -0.18 6.13 -0.00 -1.26 -3.71 116.67 126.99 1iwi s ASP 25 Ca 0.13 -2.08 -0.10 0.00 -0.00 0.00 0.00 52.55 50.51 1iwi s ASP 25 Cb -0.14 -2.57 -0.05 0.00 -0.00 0.00 0.00 42.92 40.16 1iwi s ASP 25 CO -0.22 -1.29 0.15 0.12 -0.00 0.00 0.00 175.17 173.93 1iwi s PHE 26 N 4.46 3.45 -0.40 4.23 5.36 -1.26 -4.94 117.98 128.87 1iwi s PHE 26 Ca 0.51 0.39 -0.09 0.00 -0.96 0.00 0.00 56.93 56.78 1iwi s PHE 26 Cb 0.02 -2.14 0.06 0.00 -0.34 0.00 0.00 43.02 40.63 1iwi s PHE 26 CO 0.01 0.36 0.23 0.34 -1.46 0.00 0.00 175.22 174.71 1iwi s ASP 27 N 0.13 5.63 0.50 6.13 -1.08 -1.26 -4.60 116.67 122.11 1iwi s ASP 27 Ca 0.10 -1.37 0.34 0.00 -0.52 0.00 0.00 52.55 51.10 1iwi s ASP 27 Cb -0.11 -1.98 1.78 0.00 -1.46 0.00 0.00 42.92 41.14 1iwi s ASP 27 CO -0.00 -0.49 2.03 0.00 0.52 0.00 0.00 175.17 177.23 1iwi h MET 28 N 8.39 0.00 0.00 4.34 -0.00 -1.97 -1.05 114.93 124.64 1iwi h MET 28 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.47 1iwi h MET 28 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.69 1iwi h MET 28 CO 0.72 0.00 -0.92 0.66 -0.00 0.00 0.00 176.91 177.38 1iwi n TYR 29 N -2.72 0.01 -2.79 -0.10 4.02 -1.26 -3.23 117.16 111.08 1iwi n TYR 29 Ca -0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.78 1iwi n TYR 29 Cb 0.09 -0.07 0.05 0.00 -0.02 0.00 0.00 39.34 39.39 1iwi n TYR 29 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1iwi n ASN 30 N -1.53 -2.45 -4.74 7.72 4.05 -0.66 -4.55 115.26 113.11 1iwi n ASN 30 Ca 0.04 -3.35 -0.34 0.00 0.45 0.00 0.00 54.58 51.38 1iwi n ASN 30 Cb 0.34 1.61 0.07 0.00 1.23 0.00 0.00 39.78 43.03 1iwi n ASN 30 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1iwi s PRO 31 N 0.37 2.44 0.09 1.20 0.04 -0.49 -4.60 135.00 134.05 1iwi s PRO 31 Ca 0.30 1.67 -0.24 0.00 0.04 0.00 0.00 61.00 62.77 1iwi s PRO 31 Cb 0.24 -1.88 -0.16 0.00 0.04 0.00 0.00 34.50 32.75 1iwi s PRO 31 CO -0.19 -1.58 1.71 0.77 0.04 0.00 0.00 177.00 177.75 1iwi h SER 32 N -0.03 -0.10 -0.50 6.66 0.02 -1.88 -3.22 113.55 114.51 1iwi h SER 32 Ca -0.48 -0.01 -0.28 0.00 -0.84 0.00 0.00 61.79 60.18 1iwi h SER 32 Cb 1.28 0.02 -0.15 0.00 0.14 0.00 0.00 62.40 63.70 1iwi h SER 32 CO 0.52 -0.06 0.36 0.59 -1.14 0.00 0.00 176.83 177.10 1iwi n ASN 33 N -5.13 4.29 -0.19 3.07 3.02 -1.26 -4.59 115.26 114.47 1iwi n ASN 33 Ca -0.08 -2.89 0.16 0.00 -0.03 0.00 0.00 54.58 51.75 1iwi n ASN 33 Cb 0.08 -0.78 0.50 0.00 -0.61 0.00 0.00 39.78 38.96 1iwi n ASN 33 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1iwi h LEU 34 N 1.44 0.41 -1.96 3.41 5.85 -1.80 -1.24 115.31 121.41 1iwi h LEU 34 Ca 0.31 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.11 1iwi h LEU 34 Cb 1.64 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 1iwi h LEU 34 CO 0.62 0.20 0.14 0.28 -0.34 0.00 0.00 178.44 179.34 1iwi h SER 35 N 0.43 0.04 0.64 1.25 0.02 -1.90 -0.35 113.55 113.68 1iwi h SER 35 Ca 0.40 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1iwi h SER 35 Cb 0.93 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1iwi h SER 35 CO -0.14 0.03 0.00 0.00 -1.14 0.00 0.00 176.83 175.58 1iwi n ALA 36 N -2.56 2.45 0.00 3.77 0.00 -0.47 -4.98 120.51 118.72 1iwi n ALA 36 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1iwi n ALA 36 Cb 0.24 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1iwi n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iwi n GLY 37 N 1.31 3.53 0.22 0.00 0.00 -0.14 -4.72 105.19 105.38 1iwi n GLY 37 Ca 0.13 -1.60 -0.09 0.00 0.00 0.00 0.00 46.02 44.46 1iwi n GLY 37 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1iwi h VAL 38 N 0.07 1.23 -0.69 1.61 3.04 -1.87 -0.08 116.25 119.55 1iwi h VAL 38 Ca 0.00 -0.76 0.01 0.00 -1.01 0.00 0.00 66.70 64.94 1iwi h VAL 38 Cb 0.00 0.89 -0.04 0.00 -2.01 0.00 0.00 31.29 30.13 1iwi h VAL 38 CO 0.00 0.27 0.46 1.56 -1.01 0.00 0.00 177.57 178.85 1iwi h GLN 39 N 0.58 0.90 -0.76 4.17 7.50 -1.92 -1.19 115.11 124.38 1iwi h GLN 39 Ca 0.14 -0.05 -0.03 0.00 0.50 0.00 0.00 58.65 59.20 1iwi h GLN 39 Cb 0.28 -0.20 -0.03 0.00 0.05 0.00 0.00 27.48 27.58 1iwi h GLN 39 CO -0.00 0.59 0.34 0.93 -1.50 0.00 0.00 178.83 179.20 1iwi h GLU 40 N 0.93 1.10 -0.75 1.46 3.07 -1.79 -1.23 114.58 117.36 1iwi h GLU 40 Ca 0.26 -0.17 -0.02 0.00 -0.50 0.00 0.00 59.36 58.93 1iwi h GLU 40 Cb -0.09 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 27.59 1iwi h GLU 40 CO -0.06 0.86 0.39 0.00 -1.40 0.00 0.00 179.01 178.80 1iwi h ALA 41 N 1.29 0.96 -0.01 3.43 0.00 -0.04 -2.87 119.26 122.02 1iwi h ALA 41 Ca 0.26 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 1iwi h ALA 41 Cb 0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1iwi h ALA 41 CO -0.03 0.50 -0.79 -1.49 0.00 0.00 0.00 179.25 177.43 1iwi h TRP 42 N 1.04 0.17 0.00 0.00 4.06 -0.94 -3.22 115.95 117.06 1iwi h TRP 42 Ca 0.26 -0.09 0.00 0.00 2.06 0.00 0.00 58.89 61.12 1iwi h TRP 42 Cb 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.21 1iwi h TRP 42 CO 0.00 0.86 0.00 0.00 -3.56 0.00 0.00 178.44 175.74 1iwi n ALA 43 N -2.43 1.42 0.27 1.49 0.00 -0.49 -1.76 120.51 119.00 1iwi n ALA 43 Ca -0.02 -0.03 0.15 0.00 0.00 0.00 0.00 53.44 53.54 1iwi n ALA 43 Cb 0.75 -1.11 0.71 0.00 0.00 0.00 0.00 19.45 19.80 1iwi n ALA 43 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1iwi h VAL 44 N 0.00 0.27 0.00 0.00 -1.51 -1.60 -1.72 116.25 111.69 1iwi h VAL 44 Ca 0.00 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 1iwi h VAL 44 Cb 0.08 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 1iwi h VAL 44 CO 0.00 0.08 0.00 0.18 -1.23 0.00 0.00 177.57 176.60 1iwi n LEU 45 N -3.30 0.56 -1.25 4.19 4.77 -0.72 -2.39 117.00 118.86 1iwi n LEU 45 Ca -0.01 0.64 0.09 0.00 -0.03 0.00 0.00 56.01 56.71 1iwi n LEU 45 Cb 0.29 -0.57 0.29 0.00 -2.33 0.00 0.00 43.42 41.11 1iwi n LEU 45 CO 0.28 -0.52 0.75 0.00 -1.33 0.00 0.00 177.39 176.58 1iwi n GLN 46 N -2.13 3.17 -1.92 3.23 6.02 -0.65 -4.78 117.38 120.33 1iwi n GLN 46 Ca 0.02 -2.63 -0.33 0.00 -0.01 0.00 0.00 57.00 54.05 1iwi n GLN 46 Cb 0.22 -1.65 0.03 0.00 1.02 0.00 0.00 30.24 29.86 1iwi n GLN 46 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1iwi s GLU 47 N -1.46 3.06 0.44 -1.09 0.41 -1.01 -4.93 118.70 114.12 1iwi s GLU 47 Ca 0.44 1.33 0.16 0.00 -0.41 0.00 0.00 54.97 56.49 1iwi s GLU 47 Cb 0.26 -1.99 1.09 0.00 -1.78 0.00 0.00 34.13 31.71 1iwi s GLU 47 CO 0.24 -1.04 1.95 0.66 -0.49 0.00 0.00 175.26 176.59 1iwi h SER 48 N 0.30 0.33 0.31 -0.19 4.64 -1.93 -1.03 113.55 115.97 1iwi h SER 48 Ca -0.47 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1iwi h SER 48 Cb 1.24 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1iwi h SER 48 CO 0.56 0.18 0.00 -0.46 -0.87 0.00 0.00 176.83 176.24 1iwi n ASN 49 N -4.46 0.00 -4.50 4.97 2.04 -1.26 -4.71 115.26 107.34 1iwi n ASN 49 Ca 0.12 -0.16 -0.35 0.00 -0.44 0.00 0.00 54.58 53.75 1iwi n ASN 49 Cb 0.49 -0.22 -0.12 0.00 -2.53 0.00 0.00 39.78 37.40 1iwi n ASN 49 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1iwi s VAL 50 N -2.45 4.32 1.00 3.53 1.01 -0.39 -5.10 120.40 122.32 1iwi s VAL 50 Ca 0.23 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 61.91 1iwi s VAL 50 Cb 0.14 -2.98 0.19 0.00 0.00 0.00 0.00 36.38 33.74 1iwi s VAL 50 CO 0.30 0.40 1.09 -2.84 0.00 0.00 0.00 175.10 174.06 1iwi s PRO 51 N 1.08 0.35 0.39 2.72 0.02 -1.26 -4.79 135.00 133.51 1iwi s PRO 51 Ca 0.03 1.19 0.12 0.00 0.02 0.00 0.00 61.00 62.36 1iwi s PRO 51 Cb -0.14 -1.68 0.79 0.00 0.02 0.00 0.00 34.50 33.49 1iwi s PRO 51 CO 0.03 -2.97 1.88 -0.44 -0.33 0.00 0.00 177.00 175.16 1iwi h ASP 52 N -2.10 0.06 -3.24 2.53 3.45 -1.95 -3.41 116.42 111.78 1iwi h ASP 52 Ca -0.51 -0.02 -0.54 0.00 0.43 0.00 0.00 57.03 56.40 1iwi h ASP 52 Cb 1.29 -0.02 -0.37 0.00 -0.56 0.00 0.00 39.33 39.67 1iwi h ASP 52 CO 0.47 0.34 -0.80 -0.22 -1.57 0.00 0.00 179.24 177.46 1iwi s LEU 53 N -8.43 1.34 0.36 1.55 2.96 -1.26 -0.74 118.68 114.46 1iwi s LEU 53 Ca -0.04 -0.44 0.04 0.00 -0.22 0.00 0.00 54.13 53.47 1iwi s LEU 53 Cb 0.15 -0.86 -0.06 0.00 0.50 0.00 0.00 46.19 45.92 1iwi s LEU 53 CO 0.72 -0.15 0.05 0.68 -1.32 0.00 0.00 176.35 176.34 1iwi s VAL 54 N 1.68 1.31 -0.09 1.68 -7.23 -0.82 -4.94 120.40 111.99 1iwi s VAL 54 Ca 0.03 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.23 1iwi s VAL 54 Cb -0.14 -2.75 0.01 0.00 0.56 0.00 0.00 36.38 34.06 1iwi s VAL 54 CO -0.08 0.00 -0.19 0.86 -0.31 0.00 0.00 175.10 175.38 1iwi s TRP 55 N -3.13 2.07 -0.02 2.82 -0.11 0.47 -0.83 118.94 120.21 1iwi s TRP 55 Ca 0.33 -0.83 0.03 0.00 1.22 0.00 0.00 56.10 56.85 1iwi s TRP 55 Cb 0.08 -1.43 -0.03 0.00 -1.50 0.00 0.00 33.47 30.59 1iwi s TRP 55 CO 0.15 -0.36 -0.08 -0.08 -4.62 0.00 0.00 176.95 171.96 1iwi s THR 56 N 0.51 3.60 -2.54 5.86 -1.32 -0.20 -0.85 115.64 120.70 1iwi s THR 56 Ca -0.16 -0.71 0.25 0.00 -1.21 0.00 0.00 61.69 59.86 1iwi s THR 56 Cb -0.17 -2.53 0.45 0.00 -1.51 0.00 0.00 72.50 68.74 1iwi s THR 56 CO 0.06 0.46 1.58 0.54 -2.21 0.00 0.00 174.62 175.05 1iwi n ARG 57 N 1.77 1.88 -1.96 7.08 1.74 -1.26 -1.67 116.66 124.24 1iwi n ARG 57 Ca -0.16 -1.29 -0.30 0.00 -0.77 0.00 0.00 57.85 55.33 1iwi n ARG 57 Cb 0.53 -1.46 0.03 0.00 -1.02 0.00 0.00 32.46 30.53 1iwi n ARG 57 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iwi n ASN 59 N -2.83 -2.62 0.00 0.00 4.13 -1.26 -0.96 115.26 111.72 1iwi n ASN 59 Ca 0.06 -1.01 0.00 0.00 1.68 0.00 0.00 54.58 55.31 1iwi n ASN 59 Cb 0.56 -2.82 0.00 0.00 -1.54 0.00 0.00 39.78 35.98 1iwi n ASN 59 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1iwi n GLY 60 N -1.57 2.28 0.10 7.41 0.00 -1.26 -4.63 105.19 107.53 1iwi n GLY 60 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1iwi n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iwi n GLY 61 N -2.00 -0.04 3.64 -0.02 0.00 -0.14 -4.83 105.19 101.80 1iwi n GLY 61 Ca 0.00 -1.14 -0.05 0.00 0.00 0.00 0.00 46.02 44.83 1iwi n GLY 61 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1iwi s HIS 62 N -0.10 -0.21 0.54 1.61 -3.43 -0.67 -4.79 115.29 108.23 1iwi s HIS 62 Ca 0.00 0.00 -0.05 0.00 -0.80 0.00 0.00 55.06 54.21 1iwi s HIS 62 Cb 0.00 0.59 -0.01 0.00 -1.43 0.00 0.00 32.58 31.73 1iwi s HIS 62 CO 0.00 -0.64 0.84 -1.58 -2.00 0.00 0.00 174.74 171.35 1iwi s TRP 63 N -3.12 3.34 -0.12 0.38 0.52 -0.48 -1.03 118.94 118.44 1iwi s TRP 63 Ca 0.09 0.64 -0.05 0.00 0.02 0.00 0.00 56.10 56.81 1iwi s TRP 63 Cb -0.01 -2.55 0.06 0.00 -1.15 0.00 0.00 33.47 29.82 1iwi s TRP 63 CO -0.03 -0.60 0.24 0.42 0.02 0.00 0.00 176.95 177.00 1iwi s ILE 64 N -2.86 -0.33 -0.08 2.03 1.01 -0.01 -0.61 121.20 120.35 1iwi s ILE 64 Ca 0.51 0.27 -0.22 0.00 0.00 0.00 0.00 60.65 61.21 1iwi s ILE 64 Cb -0.10 -0.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 1iwi s ILE 64 CO 0.44 0.11 0.63 0.00 0.00 0.00 0.00 174.94 176.13 1iwi s ALA 65 N 2.19 3.38 -1.68 9.38 0.00 -0.86 -1.95 121.76 132.22 1iwi s ALA 65 Ca -0.00 0.04 0.15 0.00 0.00 0.00 0.00 51.96 52.15 1iwi s ALA 65 Cb -0.12 -2.86 0.26 0.00 0.00 0.00 0.00 23.12 20.40 1iwi s ALA 65 CO -0.08 -0.06 1.16 0.25 0.00 0.00 0.00 175.76 177.03 1iwi n THR 66 N 3.70 0.45 -4.58 0.00 -2.24 0.08 -4.45 114.28 107.24 1iwi n THR 66 Ca -0.03 -0.72 -0.26 0.00 -2.27 0.00 0.00 64.05 60.77 1iwi n THR 66 Cb 0.51 0.96 -0.14 0.00 -2.10 0.00 0.00 70.33 69.56 1iwi n THR 66 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1iwi s ARG 67 N -1.17 1.38 0.31 -0.78 1.81 -1.26 -4.75 118.95 114.49 1iwi s ARG 67 Ca 0.25 -1.04 0.03 0.00 -1.72 0.00 0.00 55.73 53.25 1iwi s ARG 67 Cb 0.15 -1.56 0.62 0.00 -0.45 0.00 0.00 34.95 33.71 1iwi s ARG 67 CO 0.21 0.39 1.89 0.78 -0.68 0.00 0.00 175.30 177.88 1iwi h GLY 68 N 4.62 1.34 0.97 -3.53 0.00 -1.84 -1.33 103.07 103.30 1iwi h GLY 68 Ca -0.44 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.48 1iwi h GLY 68 CO 0.42 0.21 0.22 -1.61 0.00 0.00 0.00 176.54 175.79 1iwi h GLN 69 N 0.92 0.69 -0.20 4.80 4.15 -1.96 -1.58 115.11 121.93 1iwi h GLN 69 Ca 0.42 -0.11 -0.18 0.00 0.77 0.00 0.00 58.65 59.56 1iwi h GLN 69 Cb 0.39 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.96 1iwi h GLN 69 CO -0.18 0.59 -0.61 -0.07 -1.93 0.00 0.00 178.83 176.63 1iwi h LEU 70 N 0.62 0.76 -0.41 -2.39 4.07 -1.88 -2.16 115.31 113.92 1iwi h LEU 70 Ca 0.16 -0.43 -0.02 0.00 0.08 0.00 0.00 57.88 57.67 1iwi h LEU 70 Cb 0.13 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.64 1iwi h LEU 70 CO -0.02 1.19 0.17 0.40 -1.08 0.00 0.00 178.44 179.10 1iwi h ILE 71 N 0.50 1.19 -0.53 1.22 2.04 -1.13 -1.32 117.51 119.48 1iwi h ILE 71 Ca -0.00 -0.57 -0.06 0.00 1.00 0.00 0.00 64.86 65.22 1iwi h ILE 71 Cb 1.19 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1iwi h ILE 71 CO 0.12 0.21 0.11 0.03 0.00 0.00 0.00 178.15 178.62 1iwi h ARG 72 N 0.52 0.86 -0.03 2.37 3.08 -1.27 -2.03 114.38 117.88 1iwi h ARG 72 Ca 0.14 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1iwi h ARG 72 Cb 0.17 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1iwi h ARG 72 CO -0.01 0.83 0.02 0.93 -1.07 0.00 0.00 179.97 180.67 1iwi h GLU 73 N 0.75 0.04 -0.99 0.04 5.08 -1.21 -2.05 114.58 116.25 1iwi h GLU 73 Ca 0.16 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1iwi h GLU 73 Cb 0.38 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1iwi h GLU 73 CO 0.01 0.05 0.65 0.00 -1.00 0.00 0.00 179.01 178.72 1iwi h ALA 74 N 0.98 1.27 0.00 3.43 0.00 -1.18 -1.77 119.26 122.00 1iwi h ALA 74 Ca 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1iwi h ALA 74 Cb 0.02 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 1iwi h ALA 74 CO -0.00 0.62 -0.09 1.88 0.00 0.00 0.00 179.25 181.66 1iwi h TYR 75 N 1.32 0.00 0.00 0.00 0.05 -1.12 -2.96 116.97 114.26 1iwi h TYR 75 Ca 0.37 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.92 1iwi h TYR 75 Cb -0.12 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.59 1iwi h TYR 75 CO -0.00 0.09 -1.33 0.93 -1.05 0.00 0.00 178.16 176.79 1iwi h GLU 76 N 0.00 0.00 -3.88 4.88 5.08 -0.64 -3.40 114.58 116.61 1iwi h GLU 76 Ca -0.00 0.00 -0.77 0.00 -1.00 0.00 0.00 59.36 57.59 1iwi h GLU 76 Cb 0.59 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.62 1iwi h GLU 76 CO 0.01 0.61 1.13 -3.47 -1.00 0.00 0.00 179.01 176.30 1iwi n ASP 77 N -3.13 5.48 0.08 1.42 2.03 -0.73 -4.80 116.55 116.89 1iwi n ASP 77 Ca -0.09 -3.09 0.11 0.00 0.52 0.00 0.00 54.79 52.24 1iwi n ASP 77 Cb 0.95 -1.45 0.43 0.00 -0.72 0.00 0.00 41.12 40.34 1iwi n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iwi n TYR 78 N 3.76 0.50 -0.25 -0.67 0.18 -1.26 -1.97 117.16 117.45 1iwi n TYR 78 Ca 0.32 0.19 -0.07 0.00 1.88 0.00 0.00 57.90 60.22 1iwi n TYR 78 Cb 0.39 -0.80 0.06 0.00 -0.38 0.00 0.00 39.34 38.61 1iwi n TYR 78 CO 0.00 0.00 0.00 -0.09 -2.08 0.00 0.00 176.86 174.69 1iwi h ARG 79 N 0.00 1.13 0.01 -3.48 9.65 -1.94 -3.31 114.38 116.44 1iwi h ARG 79 Ca 0.00 -0.27 -0.36 0.00 -1.10 0.00 0.00 59.98 58.25 1iwi h ARG 79 Cb 0.39 -0.15 -0.06 0.00 -1.39 0.00 0.00 29.97 28.76 1iwi h ARG 79 CO 0.00 0.99 -2.28 0.72 2.80 0.00 0.00 179.97 182.20 1iwi n HIS 80 N -4.23 0.28 -3.70 2.20 8.25 -1.13 -4.69 115.22 112.20 1iwi n HIS 80 Ca 0.05 0.08 -0.38 0.00 -0.26 0.00 0.00 57.72 57.22 1iwi n HIS 80 Cb 0.26 -1.04 -0.11 0.00 1.12 0.00 0.00 29.99 30.22 1iwi n HIS 80 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1iwi s PHE 81 N -2.52 3.52 0.22 4.41 0.08 -0.83 -1.18 117.98 121.67 1iwi s PHE 81 Ca -0.19 -2.18 -0.09 0.00 0.12 0.00 0.00 56.93 54.59 1iwi s PHE 81 Cb 0.07 -3.26 -0.07 0.00 -0.57 0.00 0.00 43.02 39.20 1iwi s PHE 81 CO 0.75 -0.97 0.54 0.45 -0.10 0.00 0.00 175.22 175.89 1iwi s SER 82 N 2.08 6.62 0.00 1.36 0.15 0.62 -4.23 113.70 120.31 1iwi s SER 82 Ca 0.07 0.90 0.29 0.00 0.70 0.00 0.00 55.95 57.91 1iwi s SER 82 Cb -0.24 -2.22 1.36 0.00 -1.71 0.00 0.00 66.02 63.21 1iwi s SER 82 CO -0.03 -0.06 1.95 -1.20 1.20 0.00 0.00 173.24 175.10 1iwi n SER 83 N -0.10 0.22 -0.30 5.45 7.64 -1.26 -0.99 113.62 124.27 1iwi n SER 83 Ca 0.00 -0.32 0.13 0.00 1.01 0.00 0.00 58.87 59.69 1iwi n SER 83 Cb 0.52 -0.18 0.30 0.00 -1.01 0.00 0.00 64.21 63.84 1iwi n SER 83 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1iwi h GLU 84 N 0.24 0.41 -2.88 1.43 4.81 -1.85 -3.15 114.58 113.59 1iwi h GLU 84 Ca 0.00 -0.02 -0.61 0.00 -0.13 0.00 0.00 59.36 58.59 1iwi h GLU 84 Cb 0.33 -0.09 -0.41 0.00 0.63 0.00 0.00 28.75 29.21 1iwi h GLU 84 CO 0.00 0.27 -0.71 0.00 -0.73 0.00 0.00 179.01 177.84 1iwi h PRO 86 N 5.65 0.00 -6.22 0.00 0.13 -1.73 -3.34 132.00 126.50 1iwi h PRO 86 Ca 0.15 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.68 1iwi h PRO 86 Cb 0.82 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.87 1iwi h PRO 86 CO 0.59 0.00 -0.59 -0.06 -0.23 0.00 0.00 178.00 177.71 1iwi s PHE 87 N -3.18 3.12 -0.03 1.56 2.99 -1.26 -0.36 117.98 120.82 1iwi s PHE 87 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 56.93 57.07 1iwi s PHE 87 Cb 0.12 -1.54 -0.02 0.00 0.00 0.00 0.00 43.02 41.58 1iwi s PHE 87 CO 0.69 0.52 -0.25 0.42 -0.00 0.00 0.00 175.22 176.60 1iwi s ILE 88 N -1.59 1.99 0.89 0.64 1.01 -1.26 -2.64 121.20 120.24 1iwi s ILE 88 Ca 0.30 -1.07 -0.11 0.00 0.00 0.00 0.00 60.65 59.77 1iwi s ILE 88 Cb -0.11 -1.66 0.12 0.00 0.01 0.00 0.00 42.46 40.82 1iwi s ILE 88 CO 0.22 0.56 1.09 -2.16 0.00 0.00 0.00 174.94 174.66 1iwi s PRO 89 N -0.47 1.32 0.32 2.79 0.04 -1.26 -4.88 135.00 132.86 1iwi s PRO 89 Ca 0.06 0.98 0.09 0.00 0.04 0.00 0.00 61.00 62.16 1iwi s PRO 89 Cb -0.11 -1.80 0.90 0.00 0.04 0.00 0.00 34.50 33.52 1iwi s PRO 89 CO 0.00 -2.24 1.67 -0.09 0.04 0.00 0.00 177.00 176.39 1iwi h ARG 90 N -1.55 0.33 -0.73 4.56 2.43 -1.84 0.14 114.38 117.71 1iwi h ARG 90 Ca -0.48 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 58.76 1iwi h ARG 90 Cb 1.27 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.68 1iwi h ARG 90 CO 0.52 0.22 0.38 0.93 -1.51 0.00 0.00 179.97 180.51 1iwi h GLU 91 N 0.34 0.63 0.00 0.20 3.07 -1.97 0.31 114.58 117.16 1iwi h GLU 91 Ca 0.64 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.47 1iwi h GLU 91 Cb 1.35 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 1iwi h GLU 91 CO -0.59 0.42 -0.00 0.00 -1.40 0.00 0.00 179.01 177.43 1iwi h ALA 92 N 1.43 -0.00 -0.50 3.43 0.00 -1.04 -1.61 119.26 120.97 1iwi h ALA 92 Ca 0.36 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1iwi h ALA 92 Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1iwi h ALA 92 CO -0.26 -0.33 0.34 0.78 0.00 0.00 0.00 179.25 179.78 1iwi h GLY 93 N -0.35 0.55 1.06 0.00 0.00 -0.66 -0.14 103.07 103.52 1iwi h GLY 93 Ca -0.00 -0.18 -0.21 0.00 0.00 0.00 0.00 47.33 46.94 1iwi h GLY 93 CO 0.00 0.14 -0.80 0.83 0.00 0.00 0.00 176.54 176.70 1iwi h GLU 94 N 0.44 0.64 0.00 4.80 5.08 -0.28 -3.10 114.58 122.16 1iwi h GLU 94 Ca 0.22 -0.62 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1iwi h GLU 94 Cb 0.30 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1iwi h GLU 94 CO -0.06 1.22 -0.00 0.00 -1.00 0.00 0.00 179.01 179.17 1iwi h ALA 95 N 0.43 1.00 -2.29 3.43 0.00 -0.78 -3.44 119.26 117.62 1iwi h ALA 95 Ca -0.09 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.28 1iwi h ALA 95 Cb 1.46 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1iwi h ALA 95 CO 0.16 0.01 1.10 -0.47 0.00 0.00 0.00 179.25 180.04 1iwi s TYR 96 N -3.64 1.92 0.00 0.00 6.14 -0.11 -4.87 117.35 116.78 1iwi s TYR 96 Ca 0.01 0.12 0.05 0.00 0.64 0.00 0.00 57.07 57.89 1iwi s TYR 96 Cb 0.09 -3.96 0.08 0.00 0.42 0.00 0.00 41.96 38.58 1iwi s TYR 96 CO 0.55 -4.08 1.01 -0.40 0.64 0.00 0.00 175.55 173.27 1iwi n ASP 97 N 7.05 0.18 -4.76 4.32 3.85 -1.26 -4.91 116.55 121.01 1iwi n ASP 97 Ca 0.17 -1.96 -0.39 0.00 -0.71 0.00 0.00 54.79 51.90 1iwi n ASP 97 Cb 0.42 -0.21 0.00 0.00 -1.35 0.00 0.00 41.12 39.99 1iwi n ASP 97 CO 0.00 0.00 0.00 -0.36 -1.01 0.00 0.00 177.20 175.83 1iwi s PHE 98 N 0.00 2.69 -0.09 2.11 0.08 -1.26 -4.88 117.98 116.64 1iwi s PHE 98 Ca 0.06 1.40 -0.01 0.00 0.12 0.00 0.00 56.93 58.50 1iwi s PHE 98 Cb 0.07 -3.69 -0.03 0.00 -0.57 0.00 0.00 43.02 38.80 1iwi s PHE 98 CO -0.03 -2.26 -0.03 0.42 -0.10 0.00 0.00 175.22 173.22 1iwi s ILE 99 N -1.30 4.02 -2.36 0.64 1.01 -0.95 -1.51 121.20 120.75 1iwi s ILE 99 Ca 0.60 -0.35 0.21 0.00 0.00 0.00 0.00 60.65 61.12 1iwi s ILE 99 Cb -0.38 -2.68 0.43 0.00 0.01 0.00 0.00 42.46 39.84 1iwi s ILE 99 CO 0.48 0.59 1.46 -0.81 0.00 0.00 0.00 174.94 176.66 1iwi n PRO 100 N 2.38 2.12 0.23 2.79 -0.04 -1.26 -4.19 135.00 137.02 1iwi n PRO 100 Ca -0.18 -1.69 0.06 0.00 -0.04 0.00 0.00 63.50 61.66 1iwi n PRO 100 Cb 0.53 -1.45 0.54 0.00 -0.04 0.00 0.00 33.50 33.08 1iwi n PRO 100 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1iwi h THR 101 N 3.31 1.07 -0.28 0.52 1.35 -1.96 -2.31 112.91 114.62 1iwi h THR 101 Ca 0.00 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1iwi h THR 101 Cb 0.73 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1iwi h THR 101 CO 0.00 0.16 0.00 -1.54 -0.25 0.00 0.00 175.52 173.89 1iwi n SER 102 N -4.28 1.50 -4.50 5.36 3.41 -0.57 -4.73 113.62 109.82 1iwi n SER 102 Ca -0.02 -1.99 -0.29 0.00 -0.26 0.00 0.00 58.87 56.30 1iwi n SER 102 Cb 0.23 -0.19 -0.11 0.00 -0.26 0.00 0.00 64.21 63.88 1iwi n SER 102 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1iwi s MET 103 N -1.63 1.80 0.25 4.33 -1.94 -0.87 -3.64 119.30 117.60 1iwi s MET 103 Ca 0.19 -1.17 0.07 0.00 -1.71 0.00 0.00 55.69 53.07 1iwi s MET 103 Cb 0.10 -2.13 -0.04 0.00 2.01 0.00 0.00 34.83 34.78 1iwi s MET 103 CO 0.13 0.48 0.19 -0.51 -0.01 0.00 0.00 175.02 175.30 1iwi s ASP 104 N -2.15 5.50 0.79 3.03 1.01 -1.26 -4.69 116.67 118.89 1iwi s ASP 104 Ca 0.18 -0.25 -0.11 0.00 0.71 0.00 0.00 52.55 53.07 1iwi s ASP 104 Cb -0.11 -1.39 0.07 0.00 1.01 0.00 0.00 42.92 42.50 1iwi s ASP 104 CO 0.10 -0.03 1.12 -2.84 0.21 0.00 0.00 175.17 173.73 1iwi s PRO 105 N -3.80 2.00 0.20 8.23 0.02 -1.26 -2.12 135.00 138.26 1iwi s PRO 105 Ca 0.33 1.36 0.25 0.00 0.02 0.00 0.00 61.00 62.96 1iwi s PRO 105 Cb -0.08 -1.85 0.65 0.00 0.02 0.00 0.00 34.50 33.23 1iwi s PRO 105 CO 0.25 -1.87 1.63 -1.00 -0.33 0.00 0.00 177.00 175.68 1iwi h PRO 106 N -1.07 0.00 -0.71 5.54 0.14 -2.04 -3.45 132.00 130.42 1iwi h PRO 106 Ca -0.44 0.00 0.15 0.00 0.14 0.00 0.00 66.00 65.84 1iwi h PRO 106 Cb 1.25 0.00 -0.10 0.00 0.14 0.00 0.00 31.00 32.29 1iwi h PRO 106 CO 0.49 0.00 0.18 1.49 0.14 0.00 0.00 178.00 180.30 1iwi h GLU 107 N 0.00 0.28 -0.77 0.86 4.81 -1.93 -2.51 114.58 115.32 1iwi h GLU 107 Ca 0.00 -0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.35 1iwi h GLU 107 Cb 0.76 -0.06 -0.09 0.00 0.63 0.00 0.00 28.75 29.98 1iwi h GLU 107 CO 0.00 0.19 0.33 0.37 -0.73 0.00 0.00 179.01 179.17 1iwi h GLN 108 N 0.29 0.47 -0.76 1.92 4.15 -1.70 -3.17 115.11 116.32 1iwi h GLN 108 Ca 0.39 -0.03 0.17 0.00 0.77 0.00 0.00 58.65 59.96 1iwi h GLN 108 Cb 0.64 -0.11 -0.13 0.00 0.21 0.00 0.00 27.48 28.09 1iwi h GLN 108 CO -0.47 0.31 0.05 -0.09 -1.93 0.00 0.00 178.83 176.70 1iwi h ARG 109 N 0.49 0.13 -0.44 1.69 2.43 -1.75 -1.25 114.38 115.67 1iwi h ARG 109 Ca 0.42 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.57 1iwi h ARG 109 Cb 0.61 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1iwi h ARG 109 CO -0.38 0.09 0.25 1.96 -1.51 0.00 0.00 179.97 180.37 1iwi h GLN 110 N 0.13 0.62 -0.16 0.20 1.08 -1.71 -1.91 115.11 113.35 1iwi h GLN 110 Ca 0.42 -0.07 -0.16 0.00 -1.45 0.00 0.00 58.65 57.40 1iwi h GLN 110 Cb 0.75 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 1iwi h GLN 110 CO -0.64 0.48 -0.56 0.74 -0.95 0.00 0.00 178.83 177.91 1iwi h PHE 111 N 0.58 0.61 -0.89 2.96 -1.00 -1.61 -3.09 116.94 114.50 1iwi h PHE 111 Ca 0.16 -0.22 0.00 0.00 2.81 0.00 0.00 57.97 60.72 1iwi h PHE 111 Cb 0.04 -0.12 -0.04 0.00 3.61 0.00 0.00 35.95 39.44 1iwi h PHE 111 CO -0.02 0.93 0.57 -0.09 -1.61 0.00 0.00 178.31 178.09 1iwi h ARG 112 N 0.37 1.19 -0.80 1.51 2.43 -1.02 -1.12 114.38 116.95 1iwi h ARG 112 Ca 0.01 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1iwi h ARG 112 Cb 1.09 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 30.34 1iwi h ARG 112 CO 0.10 0.81 0.49 0.00 -1.51 0.00 0.00 179.97 179.86 1iwi h ALA 113 N 1.31 1.36 -0.18 2.80 0.00 -1.28 -0.58 119.26 122.69 1iwi h ALA 113 Ca 0.32 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1iwi h ALA 113 Cb -0.10 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.37 1iwi h ALA 113 CO -0.07 0.56 -0.24 1.25 0.00 0.00 0.00 179.25 180.75 1iwi h LEU 114 N 1.09 0.53 -1.37 0.00 5.85 -1.35 -2.99 115.31 117.07 1iwi h LEU 114 Ca 0.29 -0.51 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 1iwi h LEU 114 Cb -0.06 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1iwi h LEU 114 CO -0.06 0.93 0.16 0.00 -0.34 0.00 0.00 178.44 179.14 1iwi h ALA 115 N 0.61 1.51 0.00 1.25 0.00 -0.93 -0.92 119.26 120.78 1iwi h ALA 115 Ca 0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1iwi h ALA 115 Cb 0.81 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1iwi h ALA 115 CO 0.06 0.38 -0.17 -0.97 0.00 0.00 0.00 179.25 178.54 1iwi h ASN 116 N 0.59 0.00 -0.02 0.00 -1.24 -1.03 -2.25 115.58 111.63 1iwi h ASN 116 Ca 0.15 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.11 1iwi h ASN 116 Cb 0.12 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 1iwi h ASN 116 CO -0.01 0.17 -0.10 1.56 -1.29 0.00 0.00 177.43 177.76 1iwi h GLN 117 N 0.00 0.27 0.00 6.67 4.20 -1.02 0.20 115.11 125.43 1iwi h GLN 117 Ca -0.00 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1iwi h GLN 117 Cb 0.34 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 1iwi h GLN 117 CO 0.02 0.38 -1.61 1.33 -0.67 0.00 0.00 178.83 178.28 1iwi n VAL 118 N -4.29 0.31 -0.41 -0.54 0.24 -0.87 -4.53 118.33 108.25 1iwi n VAL 118 Ca -0.00 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 1iwi n VAL 118 Cb 0.26 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.46 1iwi n VAL 118 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1iwi n VAL 119 N -2.45 0.26 -0.74 3.34 0.24 -1.06 -4.92 118.33 112.99 1iwi n VAL 119 Ca -0.03 -0.43 -0.30 0.00 -2.04 0.00 0.00 64.34 61.54 1iwi n VAL 119 Cb 0.59 1.10 0.26 0.00 -1.47 0.00 0.00 33.84 34.32 1iwi n VAL 119 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1iwi s GLY 120 N -0.26 1.51 0.18 7.63 0.00 0.69 -4.64 107.32 112.43 1iwi s GLY 120 Ca 0.00 -0.87 -0.18 0.00 0.00 0.00 0.00 44.72 43.67 1iwi s GLY 120 CO 0.00 0.07 1.63 -0.33 0.00 0.00 0.00 173.10 174.47 1iwi h MET 121 N -2.98 -0.09 -0.55 2.90 2.86 -1.88 -1.93 114.93 113.27 1iwi h MET 121 Ca -0.45 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.31 1iwi h MET 121 Cb 1.32 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.96 1iwi h MET 121 CO 0.32 -0.06 0.38 -1.35 1.06 0.00 0.00 176.91 177.26 1iwi h PRO 122 N -0.09 0.25 -0.36 -0.22 0.11 -1.93 -0.01 132.00 129.75 1iwi h PRO 122 Ca 0.23 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 66.16 1iwi h PRO 122 Cb 0.45 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 1iwi h PRO 122 CO -0.56 0.17 -0.42 0.28 -0.21 0.00 0.00 178.00 177.26 1iwi h VAL 123 N 0.26 1.27 -0.59 3.15 2.07 -1.68 -2.42 116.25 118.31 1iwi h VAL 123 Ca 0.26 -1.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.12 1iwi h VAL 123 Cb 0.68 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1iwi h VAL 123 CO -0.05 0.53 0.14 0.58 0.02 0.00 0.00 177.57 178.79 1iwi h VAL 124 N 0.74 1.25 -1.00 2.57 2.07 -0.78 -2.11 116.25 118.99 1iwi h VAL 124 Ca 0.05 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.69 1iwi h VAL 124 Cb 1.02 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 1iwi h VAL 124 CO 0.10 0.34 0.65 0.44 0.02 0.00 0.00 177.57 179.12 1iwi h ASP 125 N 0.85 1.10 0.97 0.57 3.45 -0.98 -1.12 116.42 121.25 1iwi h ASP 125 Ca 0.18 -0.02 -0.09 0.00 0.43 0.00 0.00 57.03 57.54 1iwi h ASP 125 Cb 0.35 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 1iwi h ASP 125 CO 0.00 0.77 -0.43 0.50 -1.57 0.00 0.00 179.24 178.50 1iwi h LYS 126 N 1.28 0.00 -0.02 3.56 3.64 -1.12 -3.20 116.57 120.72 1iwi h LYS 126 Ca 0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1iwi h LYS 126 Cb -0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1iwi h LYS 126 CO -0.11 0.43 -0.26 1.28 -2.27 0.00 0.00 179.45 178.52 1iwi n LEU 127 N -3.47 1.85 -0.18 5.20 4.77 -0.82 -4.59 117.00 119.76 1iwi n LEU 127 Ca 0.00 -0.63 -0.06 0.00 -0.03 0.00 0.00 56.01 55.30 1iwi n LEU 127 Cb 0.57 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1iwi n LEU 127 CO 0.38 0.33 0.64 -0.33 -1.33 0.00 0.00 177.39 177.08 1iwi h GLU 128 N 2.50 -0.17 -0.46 3.23 4.39 -1.22 -0.84 114.58 122.00 1iwi h GLU 128 Ca 0.00 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.73 1iwi h GLU 128 Cb 0.70 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 1iwi h GLU 128 CO 0.00 -0.12 0.31 -0.91 -1.16 0.00 0.00 179.01 177.13 1iwi h ASN 129 N -0.18 0.49 -0.29 1.42 -0.26 -1.84 -1.45 115.58 113.47 1iwi h ASN 129 Ca 0.22 -0.01 -0.18 0.00 -0.56 0.00 0.00 56.30 55.76 1iwi h ASN 129 Cb 0.54 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 37.68 1iwi h ASN 129 CO -0.63 0.35 -0.53 -0.09 -1.06 0.00 0.00 177.43 175.47 1iwi h ARG 130 N 0.58 0.88 -0.32 0.81 9.65 -1.55 -1.35 114.38 123.08 1iwi h ARG 130 Ca 0.18 -0.55 -0.02 0.00 -1.10 0.00 0.00 59.98 58.49 1iwi h ARG 130 Cb 0.00 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 1iwi h ARG 130 CO -0.04 1.19 0.14 0.82 2.80 0.00 0.00 179.97 184.88 1iwi h ILE 131 N 0.68 1.17 -0.56 1.20 2.04 -0.53 -1.63 117.51 119.88 1iwi h ILE 131 Ca 0.02 -0.52 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 1iwi h ILE 131 Cb 1.14 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1iwi h ILE 131 CO 0.12 0.18 0.15 -0.61 0.00 0.00 0.00 178.15 177.99 1iwi h GLN 132 N 0.38 0.89 -0.56 2.37 5.75 -1.27 -1.77 115.11 120.89 1iwi h GLN 132 Ca 0.11 -0.21 -0.03 0.00 -0.15 0.00 0.00 58.65 58.38 1iwi h GLN 132 Cb 0.16 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 1iwi h GLN 132 CO -0.01 0.82 0.25 1.49 -2.65 0.00 0.00 178.83 178.73 1iwi h GLU 133 N 0.79 0.81 -0.45 1.69 4.81 -1.08 -1.72 114.58 119.44 1iwi h GLU 133 Ca 0.18 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 1iwi h GLU 133 Cb 0.32 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1iwi h GLU 133 CO -0.00 0.68 -0.16 1.25 -0.73 0.00 0.00 179.01 180.06 1iwi h LEU 134 N 0.75 0.91 0.02 1.64 5.85 -1.19 -0.86 115.31 122.43 1iwi h LEU 134 Ca 0.19 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1iwi h LEU 134 Cb 0.15 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1iwi h LEU 134 CO -0.02 1.08 -0.01 0.00 -0.34 0.00 0.00 178.44 179.15 1iwi h ALA 135 N 0.85 -0.03 -0.47 1.25 0.00 -1.20 -0.26 119.26 119.40 1iwi h ALA 135 Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1iwi h ALA 135 Cb 0.71 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1iwi h ALA 135 CO 0.05 -0.47 0.29 0.00 0.00 0.00 0.00 179.25 179.12 1iwi h SER 137 N 0.63 0.82 -0.31 0.00 0.87 -0.97 -0.88 113.55 113.72 1iwi h SER 137 Ca 0.17 -0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.62 1iwi h SER 137 Cb -0.01 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1iwi h SER 137 CO -0.03 0.62 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.77 1iwi h LEU 138 N 0.95 0.57 -0.30 2.23 4.07 -0.82 -2.79 115.31 119.21 1iwi h LEU 138 Ca 0.25 -0.35 -0.07 0.00 0.08 0.00 0.00 57.88 57.80 1iwi h LEU 138 Cb -0.06 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.51 1iwi h LEU 138 CO -0.05 0.79 -0.07 0.40 -1.08 0.00 0.00 178.44 178.43 1iwi h ILE 139 N 0.35 1.28 -0.41 1.22 2.04 -1.17 -2.79 117.51 118.03 1iwi h ILE 139 Ca 0.08 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 1iwi h ILE 139 Cb 0.52 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1iwi h ILE 139 CO 0.03 0.35 0.18 -0.08 0.00 0.00 0.00 178.15 178.63 1iwi h GLU 140 N 0.35 0.56 0.00 2.37 4.57 -1.20 0.18 114.58 121.41 1iwi h GLU 140 Ca 0.08 -0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.11 1iwi h GLU 140 Cb 0.55 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1iwi h GLU 140 CO 0.03 0.45 -0.38 0.66 -1.18 0.00 0.00 179.01 178.59 1iwi h SER 141 N 0.57 0.00 0.19 1.04 4.64 -1.38 -3.24 113.55 115.37 1iwi h SER 141 Ca 0.14 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.11 1iwi h SER 141 Cb 0.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1iwi h SER 141 CO -0.02 0.38 -1.84 -0.07 -0.87 0.00 0.00 176.83 174.41 1iwi h LEU 142 N 0.00 0.51 -0.73 5.97 3.38 -0.99 -3.42 115.31 120.02 1iwi h LEU 142 Ca -0.00 -0.89 0.12 0.00 0.09 0.00 0.00 57.88 57.20 1iwi h LEU 142 Cb 0.88 -0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.34 1iwi h LEU 142 CO 0.05 1.77 -0.26 -1.14 0.09 0.00 0.00 178.44 178.96 1iwi n ARG 143 N -3.52 -0.14 0.20 1.13 0.63 0.53 -0.65 116.66 114.84 1iwi n ARG 143 Ca -0.27 1.13 0.14 0.00 -0.92 0.00 0.00 57.85 57.94 1iwi n ARG 143 Cb 1.06 -1.69 0.56 0.00 0.45 0.00 0.00 32.46 32.85 1iwi n ARG 143 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1iwi h PRO 144 N 0.00 0.00 -0.01 -0.14 0.13 -1.80 -3.25 132.00 126.93 1iwi h PRO 144 Ca 0.28 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.34 1iwi h PRO 144 Cb 0.47 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 1iwi h PRO 144 CO -0.74 0.00 -0.36 1.96 -0.23 0.00 0.00 178.00 178.63 1iwi h GLN 145 N 0.00 0.03 0.00 0.86 4.20 -1.15 -3.46 115.11 115.59 1iwi h GLN 145 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1iwi h GLN 145 Cb 0.48 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1iwi h GLN 145 CO 0.00 0.39 0.00 0.41 -0.67 0.00 0.00 178.83 178.96 1iwi n GLY 146 N -0.47 0.42 3.61 3.46 0.00 -1.23 -4.96 105.19 106.01 1iwi n GLY 146 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 1iwi n GLY 146 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1iwi s GLN 147 N -0.37 0.23 -0.05 1.61 -2.07 -1.26 -1.55 119.66 116.20 1iwi s GLN 147 Ca 0.00 -0.04 -0.31 0.00 -1.82 0.00 0.00 55.36 53.19 1iwi s GLN 147 Cb 0.00 0.11 0.12 0.00 -1.09 0.00 0.00 33.01 32.14 1iwi s GLN 147 CO 0.00 -0.09 1.14 0.00 -1.32 0.00 0.00 175.29 175.02 1iwi s ASN 149 N -2.61 6.00 0.31 0.00 3.04 -1.26 -0.22 114.94 120.20 1iwi s ASN 149 Ca 0.11 -2.29 0.08 0.00 0.04 0.00 0.00 52.86 50.80 1iwi s ASN 149 Cb 0.01 -2.07 0.87 0.00 -1.54 0.00 0.00 41.25 38.52 1iwi s ASN 149 CO -0.04 -0.63 1.68 0.15 -3.04 0.00 0.00 177.10 175.22 1iwi h PHE 150 N 8.07 0.73 -0.02 0.43 3.57 -1.50 0.18 116.94 128.41 1iwi h PHE 150 Ca -0.10 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.45 1iwi h PHE 150 Cb 1.05 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1iwi h PHE 150 CO 0.78 -0.11 -0.05 1.79 -2.23 0.00 0.00 178.31 178.48 1iwi h THR 151 N 0.36 0.85 0.00 4.41 1.35 -1.93 0.77 112.91 118.72 1iwi h THR 151 Ca 0.63 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 66.46 1iwi h THR 151 Cb 1.31 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.58 1iwi h THR 151 CO -0.58 0.00 -1.00 1.05 -0.25 0.00 0.00 175.52 174.74 1iwi h GLU 152 N -0.09 0.00 0.00 4.72 4.11 -1.78 -1.18 114.58 120.36 1iwi h GLU 152 Ca 0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.43 1iwi h GLU 152 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1iwi h GLU 152 CO -0.07 0.06 -0.94 -0.44 0.07 0.00 0.00 179.01 177.69 1iwi h ASP 153 N 0.00 0.00 0.00 3.06 3.32 -0.64 -3.41 116.42 118.75 1iwi h ASP 153 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1iwi h ASP 153 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1iwi h ASP 153 CO 0.01 0.08 0.00 0.00 -1.72 0.00 0.00 179.24 177.61 1iwi n TYR 154 N -2.76 -1.30 -0.30 4.55 9.36 -0.46 -4.80 117.16 121.45 1iwi n TYR 154 Ca -0.01 0.24 0.19 0.00 3.32 0.00 0.00 57.90 61.64 1iwi n TYR 154 Cb 0.59 0.67 0.47 0.00 -0.63 0.00 0.00 39.34 40.44 1iwi n TYR 154 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1iwi h ALA 155 N 0.00 2.10 0.00 2.98 0.00 -0.93 -1.67 119.26 121.73 1iwi h ALA 155 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1iwi h ALA 155 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1iwi h ALA 155 CO 0.00 -0.44 -0.48 0.93 0.00 0.00 0.00 179.25 179.26 1iwi h GLU 156 N 0.48 0.00 -0.55 0.00 5.08 -1.43 -3.39 114.58 114.77 1iwi h GLU 156 Ca 0.54 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.98 1iwi h GLU 156 Cb 1.23 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.41 1iwi h GLU 156 CO -0.26 0.26 0.19 -1.00 -1.00 0.00 0.00 179.01 177.19 1iwi h PRO 157 N -1.00 0.35 0.35 2.33 0.13 -1.77 -2.50 132.00 129.88 1iwi h PRO 157 Ca -0.06 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 1iwi h PRO 157 Cb 0.57 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 1iwi h PRO 157 CO -0.04 0.23 -0.39 0.35 -0.23 0.00 0.00 178.00 177.92 1iwi h PHE 158 N 0.36 -1.09 -0.40 1.56 3.57 -1.53 -0.51 116.94 118.90 1iwi h PHE 158 Ca 0.27 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.65 1iwi h PHE 158 Cb 0.33 0.43 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1iwi h PHE 158 CO -0.18 -0.51 -0.30 -1.35 -2.23 0.00 0.00 178.31 173.74 1iwi h PRO 159 N -0.75 0.87 -0.43 6.41 0.11 -1.75 -2.95 132.00 133.50 1iwi h PRO 159 Ca -0.04 -0.40 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 1iwi h PRO 159 Cb 0.66 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 1iwi h PRO 159 CO -0.07 1.05 0.00 0.82 -0.21 0.00 0.00 178.00 179.60 1iwi h ILE 160 N 0.74 1.26 -0.42 4.15 2.04 -1.45 -1.68 117.51 122.14 1iwi h ILE 160 Ca 0.08 -1.03 -0.06 0.00 1.00 0.00 0.00 64.86 64.86 1iwi h ILE 160 Cb 0.86 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1iwi h ILE 160 CO 0.08 0.35 0.02 0.03 0.00 0.00 0.00 178.15 178.63 1iwi h ARG 161 N 0.61 0.66 -0.49 2.37 3.08 -1.14 0.10 114.38 119.57 1iwi h ARG 161 Ca 0.12 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 1iwi h ARG 161 Cb 0.48 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1iwi h ARG 161 CO 0.02 0.67 -0.03 0.82 -1.07 0.00 0.00 179.97 180.38 1iwi h ILE 162 N 0.63 1.25 -0.17 2.04 2.04 -1.31 -1.72 117.51 120.27 1iwi h ILE 162 Ca 0.13 -1.08 -0.15 0.00 1.00 0.00 0.00 64.86 64.76 1iwi h ILE 162 Cb 0.37 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1iwi h ILE 162 CO 0.01 0.38 -0.49 0.15 0.00 0.00 0.00 178.15 178.20 1iwi h PHE 163 N 0.78 0.83 -0.43 1.37 3.57 -0.58 -2.16 116.94 120.31 1iwi h PHE 163 Ca 0.14 -0.33 0.02 0.00 3.53 0.00 0.00 57.97 61.33 1iwi h PHE 163 Cb 0.51 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1iwi h PHE 163 CO 0.03 1.11 0.28 0.52 -2.23 0.00 0.00 178.31 178.02 1iwi h MET 164 N 0.32 0.50 -0.42 1.11 2.86 -0.66 0.16 114.93 118.80 1iwi h MET 164 Ca -0.01 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 1iwi h MET 164 Cb 1.11 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 1iwi h MET 164 CO 0.11 0.33 -0.19 1.25 1.06 0.00 0.00 176.91 179.47 1iwi h LEU 165 N 0.52 0.88 -0.77 1.22 5.85 -1.17 0.75 115.31 122.59 1iwi h LEU 165 Ca 0.17 -0.40 -0.13 0.00 0.84 0.00 0.00 57.88 58.36 1iwi h LEU 165 Cb 0.03 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1iwi h LEU 165 CO -0.04 1.09 -0.54 0.25 -0.34 0.00 0.00 178.44 178.86 1iwi h LEU 166 N 0.68 0.23 0.00 2.25 5.85 -0.53 -3.17 115.31 120.62 1iwi h LEU 166 Ca 0.09 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1iwi h LEU 166 Cb 0.75 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1iwi h LEU 166 CO 0.06 0.72 -0.75 0.00 -0.34 0.00 0.00 178.44 178.13 1iwi h ALA 167 N 1.28 0.55 -1.64 1.25 0.00 -0.62 -1.68 119.26 118.40 1iwi h ALA 167 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1iwi h ALA 167 Cb 1.00 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.81 1iwi h ALA 167 CO 0.08 0.00 -0.17 0.41 0.00 0.00 0.00 179.25 179.57 1iwi n GLY 168 N 1.28 0.37 3.63 0.00 0.00 0.18 -4.21 105.19 106.44 1iwi n GLY 168 Ca 0.02 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 1iwi n GLY 168 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwi s LEU 169 N -2.23 3.27 0.26 0.99 1.43 -0.74 -5.05 118.68 116.60 1iwi s LEU 169 Ca 0.09 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.68 1iwi s LEU 169 Cb -0.04 -1.99 -0.10 0.00 0.03 0.00 0.00 46.19 44.10 1iwi s LEU 169 CO 0.11 0.21 1.36 -2.16 0.23 0.00 0.00 176.35 176.10 1iwi s PRO 170 N -2.00 4.33 0.60 1.29 0.04 -1.26 -4.66 135.00 133.34 1iwi s PRO 170 Ca 0.22 2.20 0.31 0.00 0.04 0.00 0.00 61.00 63.77 1iwi s PRO 170 Cb -0.11 -3.13 1.88 0.00 0.04 0.00 0.00 34.50 33.18 1iwi s PRO 170 CO 0.14 -0.30 2.24 0.93 0.04 0.00 0.00 177.00 180.05 1iwi h GLU 171 N 4.69 0.00 0.00 4.56 5.08 -1.99 -2.04 114.58 124.89 1iwi h GLU 171 Ca -0.46 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1iwi h GLU 171 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1iwi h GLU 171 CO 0.74 0.00 -0.05 0.93 -1.00 0.00 0.00 179.01 179.63 1iwi h GLU 172 N 0.00 0.00 -0.00 2.33 3.07 -2.05 -2.60 114.58 115.33 1iwi h GLU 172 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1iwi h GLU 172 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1iwi h GLU 172 CO -0.00 0.05 -0.16 -0.25 -1.40 0.00 0.00 179.01 177.25 1iwi n ASP 173 N -3.37 0.35 -0.01 1.42 10.43 -0.77 -4.34 116.55 120.25 1iwi n ASP 173 Ca -0.02 -0.22 -0.09 0.00 2.57 0.00 0.00 54.79 57.04 1iwi n ASP 173 Cb 0.19 -0.12 -0.03 0.00 1.84 0.00 0.00 41.12 43.01 1iwi n ASP 173 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 1iwi h ILE 174 N 0.29 0.50 -0.72 0.53 2.04 -1.63 -0.47 117.51 118.05 1iwi h ILE 174 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 1iwi h ILE 174 Cb 0.42 0.50 -0.08 0.00 -0.74 0.00 0.00 36.82 36.92 1iwi h ILE 174 CO 0.00 0.00 0.32 -0.65 0.00 0.00 0.00 178.15 177.82 1iwi h PRO 175 N -0.23 0.50 0.55 2.37 0.11 -1.83 0.36 132.00 133.83 1iwi h PRO 175 Ca 0.11 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 1iwi h PRO 175 Cb 0.39 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 31.39 1iwi h PRO 175 CO -0.29 0.33 -0.26 1.25 -0.21 0.00 0.00 178.00 178.81 1iwi h HIS 176 N 0.51 -0.68 -0.81 0.65 -0.00 -1.74 -2.60 115.15 110.48 1iwi h HIS 176 Ca 0.38 -0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.77 1iwi h HIS 176 Cb 0.49 0.23 -0.05 0.00 -0.00 0.00 0.00 27.41 28.07 1iwi h HIS 176 CO -0.14 -0.35 0.52 -0.07 -0.00 0.00 0.00 177.93 177.88 1iwi h LEU 177 N -0.97 0.85 -0.61 0.26 3.38 -0.72 -2.58 115.31 114.92 1iwi h LEU 177 Ca -0.08 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1iwi h LEU 177 Cb 0.63 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1iwi h LEU 177 CO 0.12 0.58 0.36 0.50 0.09 0.00 0.00 178.44 180.09 1iwi h LYS 178 N 0.99 0.83 -0.43 1.13 1.63 -0.32 -1.65 116.57 118.76 1iwi h LYS 178 Ca 0.33 -0.08 0.01 0.00 -0.85 0.00 0.00 60.65 60.05 1iwi h LYS 178 Cb 0.04 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.47 1iwi h LYS 178 CO -0.12 0.60 0.28 -0.92 -3.45 0.00 0.00 179.45 175.84 1iwi h TYR 179 N 0.83 0.53 -0.69 1.91 3.20 -1.07 -1.55 116.97 120.13 1iwi h TYR 179 Ca 0.22 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.04 1iwi h TYR 179 Cb -0.01 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 1iwi h TYR 179 CO -0.02 0.33 0.21 -0.07 -1.64 0.00 0.00 178.16 176.97 1iwi h LEU 180 N 0.57 1.00 -0.13 2.82 3.38 -1.26 -2.71 115.31 118.98 1iwi h LEU 180 Ca 0.16 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1iwi h LEU 180 Cb -0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1iwi h LEU 180 CO -0.04 0.94 0.08 0.74 0.09 0.00 0.00 178.44 180.25 1iwi h THR 181 N 1.03 1.06 -0.25 0.22 2.02 -0.93 -2.84 112.91 113.23 1iwi h THR 181 Ca 0.22 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 1iwi h THR 181 Cb 0.30 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1iwi h THR 181 CO -0.01 0.06 0.15 0.44 0.37 0.00 0.00 175.52 176.53 1iwi h ASP 182 N 0.15 0.29 0.72 4.18 3.45 -1.14 -1.59 116.42 122.47 1iwi h ASP 182 Ca 0.05 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.47 1iwi h ASP 182 Cb 0.02 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 38.72 1iwi h ASP 182 CO -0.01 0.22 -0.12 1.56 -1.57 0.00 0.00 179.24 179.33 1iwi h GLN 183 N 0.34 0.00 0.00 3.56 1.08 -1.24 0.22 115.11 119.07 1iwi h GLN 183 Ca 0.09 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.05 1iwi h GLN 183 Cb -0.01 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 1iwi h GLN 183 CO -0.02 0.12 -1.28 0.52 -0.95 0.00 0.00 178.83 177.22 1iwi h MET 184 N 0.00 0.00 0.00 1.46 2.86 -1.24 -3.21 114.93 114.80 1iwi h MET 184 Ca -0.00 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.32 1iwi h MET 184 Cb 0.50 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.10 1iwi h MET 184 CO 0.01 0.76 -2.21 0.25 1.06 0.00 0.00 176.91 176.78 1iwi n THR 185 N -3.21 1.22 -3.14 2.22 -2.24 -1.11 -4.71 114.28 103.31 1iwi n THR 185 Ca -0.07 -0.63 -0.23 0.00 -2.27 0.00 0.00 64.05 60.85 1iwi n THR 185 Cb 0.98 -0.83 -0.04 0.00 -2.10 0.00 0.00 70.33 68.33 1iwi n THR 185 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1iwi n ARG 186 N -2.84 1.80 -1.34 -0.78 1.74 0.74 -0.95 116.66 115.04 1iwi n ARG 186 Ca -0.32 -3.95 -0.52 0.00 -0.77 0.00 0.00 57.85 52.28 1iwi n ARG 186 Cb 1.00 -1.86 -0.08 0.00 -1.02 0.00 0.00 32.46 30.51 1iwi n ARG 186 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1iwi n PRO 187 N 0.35 0.00 0.08 5.56 -0.01 -1.21 -4.63 135.00 135.14 1iwi n PRO 187 Ca 0.27 0.00 -0.16 0.00 -0.01 0.00 0.00 63.50 63.60 1iwi n PRO 187 Cb 0.53 -1.16 -0.14 0.00 -0.01 0.00 0.00 33.50 32.72 1iwi n PRO 187 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 175.50 175.71 1iwi h ASP 188 N 3.76 0.37 0.00 2.55 -0.00 -1.85 -3.48 116.42 117.77 1iwi h ASP 188 Ca -0.35 -0.46 0.00 0.00 -0.00 0.00 0.00 57.03 56.22 1iwi h ASP 188 Cb 1.07 -0.12 0.00 0.00 -0.00 0.00 0.00 39.33 40.27 1iwi h ASP 188 CO 0.74 1.38 0.00 0.61 -0.00 0.00 0.00 179.24 181.97 1iwi n GLY 189 N 1.60 1.25 0.24 -0.78 0.00 -1.26 -4.95 105.19 101.28 1iwi n GLY 189 Ca -0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 1iwi n GLY 189 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1iwi h SER 190 N 0.00 0.71 -5.09 1.61 0.02 -1.99 -3.45 113.55 105.36 1iwi h SER 190 Ca 0.00 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.75 1iwi h SER 190 Cb 0.00 -0.18 -0.16 0.00 0.14 0.00 0.00 62.40 62.20 1iwi h SER 190 CO 0.00 0.61 -0.37 0.00 -1.14 0.00 0.00 176.83 175.93 1iwi s MET 191 N -5.82 0.74 0.58 3.45 0.23 -1.26 -5.16 119.30 112.07 1iwi s MET 191 Ca -0.13 -0.70 -0.14 0.00 -1.03 0.00 0.00 55.69 53.69 1iwi s MET 191 Cb 0.12 0.31 -0.05 0.00 -1.53 0.00 0.00 34.83 33.68 1iwi s MET 191 CO 0.77 -0.22 1.02 0.95 -2.03 0.00 0.00 175.02 175.50 1iwi s THR 192 N -2.91 4.41 0.21 3.16 -4.23 -1.26 -4.80 115.64 110.21 1iwi s THR 192 Ca -0.02 0.98 -0.09 0.00 -1.18 0.00 0.00 61.69 61.38 1iwi s THR 192 Cb 0.01 -3.67 0.15 0.00 1.34 0.00 0.00 72.50 70.32 1iwi s THR 192 CO -0.06 -0.83 1.74 0.15 -0.54 0.00 0.00 174.62 175.09 1iwi h PHE 193 N 0.24 0.39 -0.67 3.99 3.57 -1.95 -1.48 116.94 121.04 1iwi h PHE 193 Ca -0.46 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.14 1iwi h PHE 193 Cb 1.20 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.80 1iwi h PHE 193 CO 0.63 0.09 0.36 0.00 -2.23 0.00 0.00 178.31 177.16 1iwi h ALA 194 N 1.43 0.90 -0.53 2.41 0.00 -1.93 -0.47 119.26 121.06 1iwi h ALA 194 Ca 0.31 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 1iwi h ALA 194 Cb 0.40 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1iwi h ALA 194 CO -0.32 0.01 -0.11 0.93 0.00 0.00 0.00 179.25 179.76 1iwi h GLU 195 N 0.65 1.01 -0.76 0.00 5.08 -1.74 -0.87 114.58 117.95 1iwi h GLU 195 Ca 0.31 -0.38 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1iwi h GLU 195 Cb 0.23 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1iwi h GLU 195 CO -0.20 1.06 0.25 0.00 -1.00 0.00 0.00 179.01 179.12 1iwi h ALA 196 N 0.92 0.99 -0.48 3.43 0.00 -0.83 -1.93 119.26 121.37 1iwi h ALA 196 Ca 0.14 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1iwi h ALA 196 Cb 0.67 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1iwi h ALA 196 CO 0.05 0.67 -0.18 -0.22 0.00 0.00 0.00 179.25 179.57 1iwi h LYS 197 N 1.12 0.95 -0.11 0.00 3.64 -0.92 -2.01 116.57 119.25 1iwi h LYS 197 Ca 0.25 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1iwi h LYS 197 Cb 0.29 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1iwi h LYS 197 CO -0.01 1.04 0.07 0.93 -2.27 0.00 0.00 179.45 179.21 1iwi h GLU 198 N 0.83 0.13 -0.62 1.90 4.39 -0.88 -1.06 114.58 119.28 1iwi h GLU 198 Ca 0.12 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.83 1iwi h GLU 198 Cb 0.74 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.32 1iwi h GLU 198 CO 0.06 0.09 0.38 0.00 -1.16 0.00 0.00 179.01 178.38 1iwi h ALA 199 N 1.05 0.80 -0.77 3.43 0.00 -1.27 0.99 119.26 123.48 1iwi h ALA 199 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1iwi h ALA 199 Cb -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1iwi h ALA 199 CO -0.02 0.14 0.34 1.25 0.00 0.00 0.00 179.25 180.96 1iwi h LEU 200 N 0.76 1.03 -0.89 0.00 5.85 -1.12 -2.13 115.31 118.81 1iwi h LEU 200 Ca 0.24 -0.13 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 1iwi h LEU 200 Cb 0.00 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1iwi h LEU 200 CO -0.09 0.89 -0.54 1.88 -0.34 0.00 0.00 178.44 180.23 1iwi h TYR 201 N 1.11 0.04 -0.23 1.25 0.05 -0.43 -2.28 116.97 116.48 1iwi h TYR 201 Ca 0.26 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.98 1iwi h TYR 201 Cb 0.15 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 1iwi h TYR 201 CO 0.02 0.57 -0.08 -0.44 -1.05 0.00 0.00 178.16 177.17 1iwi h ASP 202 N 0.02 0.34 -0.03 3.88 3.45 -0.19 -0.92 116.42 122.97 1iwi h ASP 202 Ca -0.00 -0.07 -0.05 0.00 0.43 0.00 0.00 57.03 57.34 1iwi h ASP 202 Cb 0.97 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.65 1iwi h ASP 202 CO 0.07 0.46 -0.18 0.22 -1.57 0.00 0.00 179.24 178.25 1iwi h TYR 203 N 0.34 0.23 -0.29 4.55 3.20 -1.08 -3.38 116.97 120.55 1iwi h TYR 203 Ca 0.07 -0.11 -0.12 0.00 3.14 0.00 0.00 58.73 61.72 1iwi h TYR 203 Cb 0.36 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 1iwi h TYR 203 CO 0.01 0.83 -0.29 -0.07 -1.64 0.00 0.00 178.16 177.00 1iwi h LEU 204 N -0.43 0.75 -0.78 2.82 3.38 -1.19 -3.37 115.31 116.49 1iwi h LEU 204 Ca -0.01 -0.47 0.12 0.00 0.09 0.00 0.00 57.88 57.60 1iwi h LEU 204 Cb 0.85 -0.21 -0.13 0.00 0.09 0.00 0.00 40.66 41.26 1iwi h LEU 204 CO 0.04 1.07 -0.41 0.40 0.09 0.00 0.00 178.44 179.62 1iwi h ILE 205 N 0.44 0.07 -0.62 1.22 2.04 -1.34 -0.49 117.51 118.83 1iwi h ILE 205 Ca 0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.92 1iwi h ILE 205 Cb 0.86 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1iwi h ILE 205 CO 0.07 0.00 0.40 -0.65 0.00 0.00 0.00 178.15 177.97 1iwi h PRO 206 N -0.10 0.78 -0.15 2.37 0.11 -1.78 -1.66 132.00 131.57 1iwi h PRO 206 Ca 0.25 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.32 1iwi h PRO 206 Cb 0.56 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 1iwi h PRO 206 CO -0.83 0.51 0.08 0.82 -0.21 0.00 0.00 178.00 178.38 1iwi h ILE 207 N 0.80 1.01 -0.97 4.15 2.04 -1.43 -1.79 117.51 121.31 1iwi h ILE 207 Ca 0.24 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 66.04 1iwi h ILE 207 Cb -0.05 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 1iwi h ILE 207 CO -0.07 0.03 0.61 0.40 0.00 0.00 0.00 178.15 179.12 1iwi h ILE 208 N 0.17 1.26 -0.12 -0.67 2.04 -0.96 -0.36 117.51 118.87 1iwi h ILE 208 Ca 0.06 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.44 1iwi h ILE 208 Cb 0.00 -0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 35.90 1iwi h ILE 208 CO -0.04 0.26 -0.18 -0.08 0.00 0.00 0.00 178.15 178.12 1iwi h GLU 209 N 1.33 -0.22 -0.64 2.37 4.81 -0.77 -0.57 114.58 120.88 1iwi h GLU 209 Ca 0.35 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.57 1iwi h GLU 209 Cb -0.10 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1iwi h GLU 209 CO -0.07 -0.15 0.32 1.96 -0.73 0.00 0.00 179.01 180.34 1iwi h GLN 210 N -0.23 0.91 0.00 1.92 4.20 -0.80 -2.58 115.11 118.53 1iwi h GLN 210 Ca 0.09 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1iwi h GLN 210 Cb 0.37 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1iwi h GLN 210 CO -0.26 0.72 0.00 0.00 -0.67 0.00 0.00 178.83 178.62 1iwi h ARG 211 N 0.88 0.00 0.07 1.46 -0.00 -0.65 0.13 114.38 116.26 1iwi h ARG 211 Ca 0.22 0.00 -0.21 0.00 -0.50 0.00 0.00 59.98 59.49 1iwi h ARG 211 Cb 0.10 0.00 0.02 0.00 0.00 0.00 0.00 29.97 30.09 1iwi h ARG 211 CO -0.03 0.00 -0.86 0.00 0.00 0.00 0.00 179.97 179.08 1iwi h ARG 212 N 0.00 0.46 0.20 0.04 3.08 -0.72 -2.94 114.38 114.50 1iwi h ARG 212 Ca 0.00 -0.59 -0.01 0.00 0.07 0.00 0.00 59.98 59.45 1iwi h ARG 212 Cb 0.44 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1iwi h ARG 212 CO 0.00 1.23 -0.10 1.96 -1.07 0.00 0.00 179.97 181.99 1iwi h GLN 213 N -0.04 -0.26 -3.32 0.04 4.20 -1.29 -3.40 115.11 111.04 1iwi h GLN 213 Ca -0.13 0.02 -0.67 0.00 0.06 0.00 0.00 58.65 57.93 1iwi h GLN 213 Cb 1.59 0.06 -0.38 0.00 0.30 0.00 0.00 27.48 29.04 1iwi h GLN 213 CO 0.17 0.09 -0.39 -1.59 -0.67 0.00 0.00 178.83 176.43 1iwi s LYS 214 N -3.20 2.64 0.76 1.46 -2.85 0.42 -5.09 119.74 113.86 1iwi s LYS 214 Ca -0.11 -3.00 -0.14 0.00 -1.00 0.00 0.00 55.97 51.73 1iwi s LYS 214 Cb 0.00 -3.64 0.05 0.00 -2.06 0.00 0.00 37.83 32.19 1iwi s LYS 214 CO 0.39 -1.22 1.18 -2.14 0.10 0.00 0.00 175.35 173.66 1iwi s PRO 215 N -0.87 2.02 0.00 1.78 0.02 -1.11 -4.40 135.00 132.43 1iwi s PRO 215 Ca 0.22 1.65 0.00 0.00 0.02 0.00 0.00 61.00 62.90 1iwi s PRO 215 Cb -0.13 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.56 1iwi s PRO 215 CO -0.09 -1.90 0.00 0.41 -0.33 0.00 0.00 177.00 175.09 1iwi n GLY 216 N 0.18 6.47 0.69 0.52 0.00 -1.26 -5.05 105.19 106.74 1iwi n GLY 216 Ca 0.13 -1.72 0.08 0.00 0.00 0.00 0.00 46.02 44.51 1iwi n GLY 216 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iwi n THR 217 N 0.00 0.15 -1.37 2.61 -2.24 -1.26 -4.64 114.28 107.53 1iwi n THR 217 Ca 0.00 -0.57 -0.31 0.00 -2.27 0.00 0.00 64.05 60.90 1iwi n THR 217 Cb 0.00 1.21 0.08 0.00 -2.10 0.00 0.00 70.33 69.52 1iwi n THR 217 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1iwi s ASP 218 N -1.30 4.80 0.31 3.42 1.47 -1.26 -4.84 116.67 119.27 1iwi s ASP 218 Ca 0.21 1.75 0.02 0.00 1.18 0.00 0.00 52.55 55.70 1iwi s ASP 218 Cb 0.14 -2.51 0.57 0.00 -0.34 0.00 0.00 42.92 40.79 1iwi s ASP 218 CO 0.21 -1.84 1.92 0.00 0.68 0.00 0.00 175.17 176.14 1iwi h ALA 219 N -0.99 1.55 -0.55 2.11 0.00 -1.51 -1.14 119.26 118.72 1iwi h ALA 219 Ca -0.44 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 1iwi h ALA 219 Cb 1.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1iwi h ALA 219 CO 0.53 0.32 -0.06 0.82 0.00 0.00 0.00 179.25 180.87 1iwi h ILE 220 N 0.97 1.26 -0.19 0.00 2.04 -1.83 0.24 117.51 120.01 1iwi h ILE 220 Ca 0.37 -1.20 -0.10 0.00 1.00 0.00 0.00 64.86 64.94 1iwi h ILE 220 Cb 0.20 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1iwi h ILE 220 CO -0.13 0.43 -0.31 0.28 0.00 0.00 0.00 178.15 178.42 1iwi h SER 221 N 0.91 0.39 -0.31 1.72 0.02 -1.68 -0.38 113.55 114.22 1iwi h SER 221 Ca 0.15 -0.14 -0.10 0.00 -0.84 0.00 0.00 61.79 60.87 1iwi h SER 221 Cb 0.60 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1iwi h SER 221 CO 0.04 0.68 -0.19 0.40 -1.14 0.00 0.00 176.83 176.63 1iwi h ILE 222 N 0.33 1.30 -0.08 3.27 1.08 -0.78 -2.91 117.51 119.71 1iwi h ILE 222 Ca 0.04 -1.31 -0.03 0.00 -0.39 0.00 0.00 64.86 63.17 1iwi h ILE 222 Cb 0.71 1.48 -0.00 0.00 -3.07 0.00 0.00 36.82 35.94 1iwi h ILE 222 CO 0.05 0.42 -0.06 0.58 -0.69 0.00 0.00 178.15 178.45 1iwi h VAL 223 N 0.42 1.35 -0.15 1.67 2.07 -0.77 -2.60 116.25 118.23 1iwi h VAL 223 Ca 0.06 -1.17 0.04 0.00 0.82 0.00 0.00 66.70 66.46 1iwi h VAL 223 Cb 0.73 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 1iwi h VAL 223 CO 0.05 0.33 0.12 0.00 0.02 0.00 0.00 177.57 178.09 1iwi h ALA 224 N 0.59 2.03 -0.28 1.67 0.00 -1.13 -2.24 119.26 119.90 1iwi h ALA 224 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1iwi h ALA 224 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1iwi h ALA 224 CO 0.02 -0.20 0.00 0.09 0.00 0.00 0.00 179.25 179.16 1iwi n ASN 225 N -4.31 3.40 -4.80 0.00 4.13 -1.10 -4.81 115.26 107.77 1iwi n ASN 225 Ca 0.01 -2.57 -0.30 0.00 1.68 0.00 0.00 54.58 53.40 1iwi n ASN 225 Cb 0.24 -0.40 0.10 0.00 -1.54 0.00 0.00 39.78 38.19 1iwi n ASN 225 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1iwi s GLY 226 N -1.54 1.61 -0.07 7.41 0.00 -0.84 -4.89 107.32 109.00 1iwi s GLY 226 Ca 0.33 -0.27 0.03 0.00 0.00 0.00 0.00 44.72 44.81 1iwi s GLY 226 CO 0.11 0.18 -0.16 1.20 0.00 0.00 0.00 173.10 174.43 1iwi s GLN 227 N -5.19 2.74 -0.04 2.90 -0.21 -1.26 -1.69 119.66 116.91 1iwi s GLN 227 Ca 0.61 -0.74 0.01 0.00 0.02 0.00 0.00 55.36 55.27 1iwi s GLN 227 Cb -0.14 -2.40 0.02 0.00 1.00 0.00 0.00 33.01 31.49 1iwi s GLN 227 CO 0.54 0.47 -0.05 0.14 -2.12 0.00 0.00 175.29 174.27 1iwi s VAL 228 N -0.34 0.54 -1.39 1.09 -7.23 0.24 -4.80 120.40 108.51 1iwi s VAL 228 Ca 0.03 -0.14 -0.09 0.00 -1.81 0.00 0.00 61.98 59.96 1iwi s VAL 228 Cb -0.13 -0.55 0.03 0.00 0.56 0.00 0.00 36.38 36.29 1iwi s VAL 228 CO 0.02 0.22 1.12 -3.20 -0.31 0.00 0.00 175.10 172.95 1iwi n ASN 229 N 3.91 -5.59 0.00 4.85 4.05 -1.26 -2.08 115.26 119.14 1iwi n ASN 229 Ca -0.24 -0.61 0.00 0.00 0.45 0.00 0.00 54.58 54.18 1iwi n ASN 229 Cb 0.51 -4.76 0.00 0.00 1.23 0.00 0.00 39.78 36.77 1iwi n ASN 229 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1iwi n GLY 230 N -1.87 1.52 3.97 8.20 0.00 -1.26 -4.95 105.19 110.79 1iwi n GLY 230 Ca -0.01 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 1iwi n GLY 230 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iwi s ARG 231 N 0.00 2.38 0.44 1.61 1.04 -0.88 -5.03 118.95 118.51 1iwi s ARG 231 Ca 0.00 -0.77 -0.20 0.00 -1.04 0.00 0.00 55.73 53.72 1iwi s ARG 231 Cb 0.00 -2.43 -0.10 0.00 -2.04 0.00 0.00 34.95 30.38 1iwi s ARG 231 CO 0.00 -0.88 0.95 -1.25 -0.04 0.00 0.00 175.30 174.08 1iwi s PRO 232 N -4.87 4.17 0.48 3.89 0.05 -1.26 0.79 135.00 138.25 1iwi s PRO 232 Ca 0.59 1.07 -0.22 0.00 0.05 0.00 0.00 61.00 62.49 1iwi s PRO 232 Cb -0.10 -2.18 -0.07 0.00 0.05 0.00 0.00 34.50 32.20 1iwi s PRO 232 CO 0.40 -0.06 1.16 -1.50 0.05 0.00 0.00 177.00 177.05 1iwi s ILE 233 N -2.24 3.08 0.59 0.56 2.07 -0.68 -4.70 121.20 119.88 1iwi s ILE 233 Ca 0.61 0.78 -0.05 0.00 -1.41 0.00 0.00 60.65 60.58 1iwi s ILE 233 Cb -0.09 -3.38 0.02 0.00 0.13 0.00 0.00 42.46 39.13 1iwi s ILE 233 CO 0.16 -0.04 0.88 0.42 -1.91 0.00 0.00 174.94 174.45 1iwi s THR 234 N -1.58 3.43 0.20 4.00 -4.23 -1.26 -4.93 115.64 111.28 1iwi s THR 234 Ca 0.66 -0.13 -0.11 0.00 -1.18 0.00 0.00 61.69 60.93 1iwi s THR 234 Cb -0.28 -3.36 0.14 0.00 1.34 0.00 0.00 72.50 70.34 1iwi s THR 234 CO 0.33 -0.36 1.86 0.28 -0.54 0.00 0.00 174.62 176.20 1iwi h SER 235 N -0.16 0.84 -0.58 3.99 0.02 -1.96 -1.69 113.55 114.02 1iwi h SER 235 Ca -0.45 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.45 1iwi h SER 235 Cb 1.27 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 1iwi h SER 235 CO 0.60 0.63 0.33 -0.78 -1.14 0.00 0.00 176.83 176.47 1iwi h ASP 236 N 0.97 0.72 -0.55 3.07 1.82 -1.99 -0.54 116.42 119.92 1iwi h ASP 236 Ca 0.26 -0.08 -0.08 0.00 -0.39 0.00 0.00 57.03 56.74 1iwi h ASP 236 Cb -0.08 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 39.72 1iwi h ASP 236 CO -0.05 0.59 0.05 -0.33 -1.61 0.00 0.00 179.24 177.89 1iwi h GLU 237 N 0.79 0.98 -0.43 0.28 5.08 -1.86 -1.76 114.58 117.65 1iwi h GLU 237 Ca 0.21 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 1iwi h GLU 237 Cb 0.02 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1iwi h GLU 237 CO -0.04 0.93 -0.11 0.00 -1.00 0.00 0.00 179.01 178.80 1iwi h ALA 238 N 1.14 0.59 -0.37 3.43 0.00 -1.05 -2.01 119.26 120.99 1iwi h ALA 238 Ca 0.18 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1iwi h ALA 238 Cb 0.46 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1iwi h ALA 238 CO 0.02 0.48 0.24 -0.22 0.00 0.00 0.00 179.25 179.77 1iwi h LYS 239 N 0.66 0.47 0.00 0.00 3.64 -0.89 -0.32 116.57 120.13 1iwi h LYS 239 Ca 0.11 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1iwi h LYS 239 Cb 0.64 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1iwi h LYS 239 CO 0.04 0.31 -0.28 0.00 -2.27 0.00 0.00 179.45 177.25 1iwi h ARG 240 N 0.48 0.00 0.18 1.90 3.08 -1.23 -1.40 114.38 117.40 1iwi h ARG 240 Ca 0.14 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.95 1iwi h ARG 240 Cb -0.04 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.04 1iwi h ARG 240 CO -0.04 0.28 -1.07 1.98 -1.07 0.00 0.00 179.97 180.04 1iwi h MET 241 N 0.00 0.38 -0.03 0.04 4.05 -0.96 -2.51 114.93 115.90 1iwi h MET 241 Ca -0.00 -0.65 -0.04 0.00 -0.28 0.00 0.00 59.70 58.72 1iwi h MET 241 Cb 0.67 0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 31.71 1iwi h MET 241 CO 0.04 1.31 -0.19 0.00 0.23 0.00 0.00 176.91 178.30 1iwi h GLY 243 N 0.65 1.17 0.86 0.00 0.00 -1.31 -1.54 103.07 102.90 1iwi h GLY 243 Ca 0.01 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.66 1iwi h GLY 243 CO 0.03 0.56 -0.19 -2.00 0.00 0.00 0.00 176.54 174.93 1iwi h LEU 244 N 1.08 0.56 -1.29 3.11 5.85 -1.26 -2.82 115.31 120.54 1iwi h LEU 244 Ca 0.26 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.56 1iwi h LEU 244 Cb 0.14 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1iwi h LEU 244 CO -0.03 0.90 0.51 -0.07 -0.34 0.00 0.00 178.44 179.41 1iwi h LEU 245 N 0.22 0.79 0.04 2.25 3.38 -1.07 -1.24 115.31 119.68 1iwi h LEU 245 Ca 0.04 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1iwi h LEU 245 Cb 0.73 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1iwi h LEU 245 CO 0.05 0.54 -0.02 -0.07 0.09 0.00 0.00 178.44 179.02 1iwi h LEU 246 N 0.91 -0.05 -0.91 1.67 -0.00 -1.21 -0.09 115.31 115.63 1iwi h LEU 246 Ca 0.31 -0.17 -0.04 0.00 -0.00 0.00 0.00 57.88 57.99 1iwi h LEU 246 Cb 0.10 0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 40.73 1iwi h LEU 246 CO -0.10 0.14 0.34 0.58 -0.00 0.00 0.00 178.44 179.40 1iwi h VAL 247 N -0.23 1.25 -0.42 1.22 2.07 -1.22 -0.99 116.25 117.92 1iwi h VAL 247 Ca -0.01 -0.74 -0.15 0.00 0.82 0.00 0.00 66.70 66.62 1iwi h VAL 247 Cb 0.21 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1iwi h VAL 247 CO 0.01 0.31 -0.32 1.23 0.02 0.00 0.00 177.57 178.82 1iwi h GLY 248 N 1.14 1.05 2.00 2.17 0.00 -1.12 -1.84 103.07 106.47 1iwi h GLY 248 Ca 0.26 -1.02 -0.15 0.00 0.00 0.00 0.00 47.33 46.42 1iwi h GLY 248 CO -0.03 0.92 -0.73 -1.33 0.00 0.00 0.00 176.54 175.38 1iwi h GLY 249 N 0.79 0.00 0.37 4.60 0.00 -0.81 -3.29 103.07 104.73 1iwi h GLY 249 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1iwi h GLY 249 CO 0.09 0.00 -1.46 1.04 0.00 0.00 0.00 176.54 176.21 1iwi n LEU 250 N -3.66 0.42 -0.93 3.11 4.32 -0.39 -4.50 117.00 115.36 1iwi n LEU 250 Ca -0.01 0.03 0.05 0.00 -0.02 0.00 0.00 56.01 56.06 1iwi n LEU 250 Cb 0.71 -0.04 0.09 0.00 -1.62 0.00 0.00 43.42 42.56 1iwi n LEU 250 CO 0.43 -0.01 0.23 -0.67 -1.22 0.00 0.00 177.39 176.16 1iwi n ASP 251 N -2.22 1.23 0.00 -1.43 4.64 -0.69 -4.76 116.55 113.31 1iwi n ASP 251 Ca -0.01 -2.73 0.00 0.00 -1.38 0.00 0.00 54.79 50.67 1iwi n ASP 251 Cb 0.51 -0.37 0.00 0.00 -1.04 0.00 0.00 41.12 40.22 1iwi n ASP 251 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1iwi n THR 252 N -0.28 0.00 -0.17 5.18 -2.24 -1.24 -4.66 114.28 110.87 1iwi n THR 252 Ca 0.10 0.03 0.11 0.00 -2.27 0.00 0.00 64.05 62.02 1iwi n THR 252 Cb 0.89 -0.88 0.43 0.00 -2.10 0.00 0.00 70.33 68.67 1iwi n THR 252 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1iwi h VAL 253 N 0.00 0.91 -0.41 2.28 2.07 -1.87 -2.05 116.25 117.17 1iwi h VAL 253 Ca 0.00 -0.20 0.08 0.00 0.82 0.00 0.00 66.70 67.40 1iwi h VAL 253 Cb 0.00 0.27 -0.07 0.00 -1.52 0.00 0.00 31.29 29.97 1iwi h VAL 253 CO 0.00 0.11 -0.07 0.58 0.02 0.00 0.00 177.57 178.21 1iwi h VAL 254 N 0.58 0.62 -0.00 2.57 2.07 -1.86 -1.65 116.25 118.57 1iwi h VAL 254 Ca 0.34 -0.01 -0.24 0.00 0.82 0.00 0.00 66.70 67.61 1iwi h VAL 254 Cb 0.54 0.58 0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1iwi h VAL 254 CO -0.12 0.01 -0.97 0.78 0.02 0.00 0.00 177.57 177.29 1iwi h ASN 255 N 0.03 0.67 -0.77 0.57 2.35 -1.66 -3.31 115.58 113.45 1iwi h ASN 255 Ca 0.20 -0.53 -0.02 0.00 -0.55 0.00 0.00 56.30 55.40 1iwi h ASN 255 Cb 0.30 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 1iwi h ASN 255 CO -0.40 1.33 0.40 0.15 -1.65 0.00 0.00 177.43 177.26 1iwi h PHE 256 N 0.29 1.09 -0.94 1.19 3.04 -1.12 -2.77 116.94 117.73 1iwi h PHE 256 Ca -0.09 -0.04 0.04 0.00 3.98 0.00 0.00 57.97 61.86 1iwi h PHE 256 Cb 1.61 -0.34 -0.06 0.00 2.56 0.00 0.00 35.95 39.72 1iwi h PHE 256 CO 0.07 0.78 0.61 -0.07 -2.02 0.00 0.00 178.31 177.69 1iwi h LEU 257 N 1.08 1.00 -0.57 0.59 3.38 -1.40 -2.05 115.31 117.34 1iwi h LEU 257 Ca 0.27 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 1iwi h LEU 257 Cb 0.08 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1iwi h LEU 257 CO -0.04 0.67 0.19 0.28 0.09 0.00 0.00 178.44 179.64 1iwi h SER 258 N 1.16 0.81 -0.36 -0.43 0.02 -1.59 0.44 113.55 113.60 1iwi h SER 258 Ca 0.38 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1iwi h SER 258 Cb 0.04 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1iwi h SER 258 CO -0.13 0.79 0.24 -0.26 -1.14 0.00 0.00 176.83 176.32 1iwi h PHE 259 N 0.79 0.46 -0.37 3.45 0.04 -1.25 0.12 116.94 120.18 1iwi h PHE 259 Ca 0.18 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.94 1iwi h PHE 259 Cb 0.26 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 1iwi h PHE 259 CO 0.01 0.29 0.11 0.77 -0.60 0.00 0.00 178.31 178.90 1iwi h SER 260 N 0.49 0.53 -0.08 2.17 0.02 -1.14 -2.10 113.55 113.45 1iwi h SER 260 Ca 0.13 -0.21 -0.10 0.00 -0.84 0.00 0.00 61.79 60.77 1iwi h SER 260 Cb -0.05 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1iwi h SER 260 CO -0.03 0.60 -0.27 -0.03 -1.14 0.00 0.00 176.83 175.96 1iwi h MET 261 N 0.44 0.52 -0.74 3.45 1.85 -0.78 -0.13 114.93 119.55 1iwi h MET 261 Ca 0.12 -0.21 -0.04 0.00 -0.61 0.00 0.00 59.70 58.96 1iwi h MET 261 Cb 0.26 -0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.23 1iwi h MET 261 CO -0.00 0.74 0.32 1.49 -0.40 0.00 0.00 176.91 179.06 1iwi h GLU 262 N 0.46 1.09 -0.18 0.39 4.81 -0.81 -0.54 114.58 119.80 1iwi h GLU 262 Ca 0.06 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 1iwi h GLU 262 Cb 0.71 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 1iwi h GLU 262 CO 0.05 0.88 -0.11 0.35 -0.73 0.00 0.00 179.01 179.45 1iwi h PHE 263 N 1.05 0.46 -0.21 0.92 3.04 -0.96 -3.06 116.94 118.19 1iwi h PHE 263 Ca 0.25 -0.12 -0.02 0.00 3.98 0.00 0.00 57.97 62.06 1iwi h PHE 263 Cb 0.18 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.57 1iwi h PHE 263 CO 0.01 0.71 0.02 -0.07 -2.02 0.00 0.00 178.31 176.97 1iwi h LEU 264 N 0.07 0.27 -1.60 0.59 3.38 -0.83 -1.47 115.31 115.72 1iwi h LEU 264 Ca 0.04 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1iwi h LEU 264 Cb 0.60 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1iwi h LEU 264 CO 0.03 0.31 -0.14 0.00 0.09 0.00 0.00 178.44 178.73 1iwi h ALA 265 N 1.73 1.12 -0.02 1.53 0.00 -1.03 -2.79 119.26 119.81 1iwi h ALA 265 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1iwi h ALA 265 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1iwi h ALA 265 CO 0.00 0.18 -0.37 1.63 0.00 0.00 0.00 179.25 180.68 1iwi n LYS 266 N -3.44 1.46 -3.64 0.00 5.02 -0.61 -4.36 118.16 112.59 1iwi n LYS 266 Ca -0.01 -1.18 -0.28 0.00 -2.02 0.00 0.00 58.31 54.82 1iwi n LYS 266 Cb 0.31 -1.46 -0.12 0.00 -0.02 0.00 0.00 35.03 33.74 1iwi n LYS 266 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1iwi s SER 267 N -2.34 3.17 0.33 4.39 0.15 -0.84 -4.97 113.70 113.59 1iwi s SER 267 Ca 0.20 -3.10 0.07 0.00 0.70 0.00 0.00 55.95 53.82 1iwi s SER 267 Cb 0.18 -0.96 0.76 0.00 -1.71 0.00 0.00 66.02 64.28 1iwi s SER 267 CO 0.51 -0.18 1.84 -0.65 1.20 0.00 0.00 173.24 175.95 1iwi h PRO 268 N 5.99 0.74 -0.52 5.44 0.11 -1.86 -1.57 132.00 140.34 1iwi h PRO 268 Ca 0.13 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 1iwi h PRO 268 Cb 0.87 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.79 1iwi h PRO 268 CO 0.50 0.49 0.25 0.93 -0.21 0.00 0.00 178.00 179.96 1iwi h GLU 269 N 0.76 0.72 -0.01 1.05 3.07 -1.94 -0.86 114.58 117.38 1iwi h GLU 269 Ca 0.49 -0.09 -0.19 0.00 -0.50 0.00 0.00 59.36 59.07 1iwi h GLU 269 Cb 0.73 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 1iwi h GLU 269 CO -0.25 0.56 -0.84 0.45 -1.40 0.00 0.00 179.01 177.53 1iwi h HIS 270 N 0.73 0.37 -0.12 4.33 3.86 -1.67 -2.22 115.15 120.43 1iwi h HIS 270 Ca 0.18 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1iwi h HIS 270 Cb 0.08 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 1iwi h HIS 270 CO 0.01 0.98 0.03 0.00 0.86 0.00 0.00 177.93 179.80 1iwi h ARG 271 N 0.15 0.19 -0.63 2.45 3.08 -1.09 -2.84 114.38 115.69 1iwi h ARG 271 Ca -0.04 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.00 1iwi h ARG 271 Cb 1.45 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.43 1iwi h ARG 271 CO 0.13 0.37 0.36 1.96 -1.07 0.00 0.00 179.97 181.72 1iwi h GLN 272 N -0.02 0.66 -0.54 0.04 1.08 -1.17 -1.54 115.11 113.62 1iwi h GLN 272 Ca 0.04 -0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.28 1iwi h GLN 272 Cb 0.27 -0.15 -0.07 0.00 -0.05 0.00 0.00 27.48 27.48 1iwi h GLN 272 CO 0.00 0.44 0.16 1.49 -0.95 0.00 0.00 178.83 179.97 1iwi h GLU 273 N 0.68 0.31 0.00 1.46 4.81 -1.30 0.19 114.58 120.74 1iwi h GLU 273 Ca 0.27 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.36 1iwi h GLU 273 Cb 0.12 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1iwi h GLU 273 CO -0.15 0.21 -0.57 -0.07 -0.73 0.00 0.00 179.01 177.70 1iwi h LEU 274 N 0.32 0.00 -0.21 1.64 3.38 -1.19 -0.60 115.31 118.66 1iwi h LEU 274 Ca 0.27 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.04 1iwi h LEU 274 Cb 0.34 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.10 1iwi h LEU 274 CO -0.31 0.57 -0.66 0.40 0.09 0.00 0.00 178.44 178.53 1iwi h ILE 275 N 0.00 1.28 0.07 1.22 2.04 -0.37 -3.18 117.51 118.57 1iwi h ILE 275 Ca -0.01 -1.85 -0.27 0.00 1.00 0.00 0.00 64.86 63.73 1iwi h ILE 275 Cb 1.02 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.93 1iwi h ILE 275 CO 0.07 0.59 -1.35 -0.33 0.00 0.00 0.00 178.15 177.14 1iwi h GLU 276 N 0.56 0.14 -2.31 2.37 5.08 -0.95 -3.40 114.58 116.08 1iwi h GLU 276 Ca -0.02 -0.25 -0.60 0.00 -1.00 0.00 0.00 59.36 57.49 1iwi h GLU 276 Cb 1.28 0.09 -0.42 0.00 0.50 0.00 0.00 28.75 30.21 1iwi h GLU 276 CO 0.14 1.01 -0.66 0.54 -1.00 0.00 0.00 179.01 179.04 1iwi n ARG 277 N -3.38 2.16 -0.14 2.33 5.12 -0.24 -4.94 116.66 117.57 1iwi n ARG 277 Ca -0.10 -4.44 0.27 0.00 -1.93 0.00 0.00 57.85 51.65 1iwi n ARG 277 Cb 1.01 -2.13 0.72 0.00 -1.16 0.00 0.00 32.46 30.90 1iwi n ARG 277 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1iwi h PRO 278 N 4.38 0.00 0.00 5.56 0.11 -1.77 -0.47 132.00 139.81 1iwi h PRO 278 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1iwi h PRO 278 Cb 0.71 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1iwi h PRO 278 CO 0.76 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.70 1iwi n GLU 279 N -4.25 0.05 0.01 1.05 0.00 -1.26 -1.62 120.64 114.62 1iwi n GLU 279 Ca 0.17 0.29 0.11 0.00 0.00 0.00 0.00 57.16 57.73 1iwi n GLU 279 Cb 0.90 -1.50 0.05 0.00 0.00 0.00 0.00 31.44 30.88 1iwi n GLU 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1iwi n ARG 280 N -1.36 0.14 -0.20 3.44 1.74 -0.18 -4.47 116.66 115.76 1iwi n ARG 280 Ca 0.02 -0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.10 1iwi n ARG 280 Cb 0.05 -1.54 0.10 0.00 -1.02 0.00 0.00 32.46 30.06 1iwi n ARG 280 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1iwi h ILE 281 N 0.00 0.62 -0.48 0.55 2.04 -1.48 0.47 117.51 119.24 1iwi h ILE 281 Ca 0.00 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.82 1iwi h ILE 281 Cb 0.61 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1iwi h ILE 281 CO 0.00 0.04 0.25 -0.65 0.00 0.00 0.00 178.15 177.79 1iwi h PRO 282 N 0.23 0.48 -0.51 2.37 0.11 -1.81 0.16 132.00 133.02 1iwi h PRO 282 Ca 0.31 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 1iwi h PRO 282 Cb 0.47 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 1iwi h PRO 282 CO -0.42 0.32 0.27 0.00 -0.21 0.00 0.00 178.00 177.96 1iwi h ALA 283 N 1.25 0.65 -0.82 -0.75 0.00 -1.67 -2.27 119.26 115.65 1iwi h ALA 283 Ca 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1iwi h ALA 283 Cb 0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1iwi h ALA 283 CO -0.13 0.18 0.49 0.00 0.00 0.00 0.00 179.25 179.79 1iwi h ALA 284 N 1.11 1.32 -0.59 0.00 0.00 -0.34 -1.69 119.26 119.06 1iwi h ALA 284 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1iwi h ALA 284 Cb 0.06 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1iwi h ALA 284 CO -0.03 0.58 0.38 0.00 0.00 0.00 0.00 179.25 180.19 1iwi h GLU 286 N 0.80 0.66 -0.49 0.00 4.39 -0.92 -0.60 114.58 118.41 1iwi h GLU 286 Ca 0.22 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.73 1iwi h GLU 286 Cb -0.08 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 1iwi h GLU 286 CO -0.05 0.61 0.07 1.49 -1.16 0.00 0.00 179.01 179.98 1iwi h GLU 287 N 0.56 0.77 -0.14 2.33 4.57 -0.92 -0.71 114.58 121.05 1iwi h GLU 287 Ca 0.14 -0.17 -0.15 0.00 -1.18 0.00 0.00 59.36 58.00 1iwi h GLU 287 Cb 0.21 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1iwi h GLU 287 CO -0.01 0.73 -0.55 -0.07 -1.18 0.00 0.00 179.01 177.93 1iwi h LEU 288 N 0.74 0.46 -1.42 1.64 3.38 -0.76 -0.23 115.31 119.11 1iwi h LEU 288 Ca 0.16 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1iwi h LEU 288 Cb 0.34 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1iwi h LEU 288 CO 0.01 0.92 -0.29 -0.07 0.09 0.00 0.00 178.44 179.09 1iwi h LEU 289 N 0.32 0.00 0.03 1.67 3.38 -0.39 0.11 115.31 120.43 1iwi h LEU 289 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iwi h LEU 289 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1iwi h LEU 289 CO 0.09 0.29 -0.01 -0.09 0.09 0.00 0.00 178.44 178.81 1iwi h ARG 290 N 0.00 -0.04 -0.15 1.13 2.43 -0.65 -3.02 114.38 114.08 1iwi h ARG 290 Ca -0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1iwi h ARG 290 Cb 0.53 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1iwi h ARG 290 CO 0.04 0.66 -0.31 -0.09 -1.51 0.00 0.00 179.97 178.76 1iwi h ARG 291 N -0.90 0.29 -0.55 0.20 9.65 -0.97 -3.21 114.38 118.90 1iwi h ARG 291 Ca -0.00 -0.11 -0.35 0.00 -1.10 0.00 0.00 59.98 58.41 1iwi h ARG 291 Cb 0.72 -0.02 -0.22 0.00 -1.39 0.00 0.00 29.97 29.06 1iwi h ARG 291 CO 0.01 0.58 -0.17 1.19 2.80 0.00 0.00 179.97 184.38 1iwi n PHE 292 N -4.10 1.83 -1.64 2.20 3.01 0.38 -4.97 117.46 114.17 1iwi n PHE 292 Ca -0.01 -1.99 -0.41 0.00 1.01 0.00 0.00 57.45 56.06 1iwi n PHE 292 Cb 0.42 -0.58 0.02 0.00 -0.01 0.00 0.00 39.48 39.32 1iwi n PHE 292 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1iwi n SER 293 N -0.98 1.58 0.00 4.37 2.88 -1.14 -4.93 113.62 115.39 1iwi n SER 293 Ca 0.40 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.97 1iwi n SER 293 Cb 0.96 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 1iwi n SER 293 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iwi n LEU 294 N 0.23 0.22 -4.71 2.46 -0.00 -1.26 -4.87 117.00 109.07 1iwi n LEU 294 Ca 0.09 -0.22 -0.34 0.00 -0.00 0.00 0.00 56.01 55.54 1iwi n LEU 294 Cb 0.40 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.74 1iwi n LEU 294 CO 0.56 0.06 -0.29 -0.69 -0.00 0.00 0.00 177.39 177.03 1iwi s VAL 295 N -0.08 4.43 -0.29 1.47 1.01 -1.26 -0.87 120.40 124.80 1iwi s VAL 295 Ca 0.00 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1iwi s VAL 295 Cb 0.00 -2.92 0.16 0.00 0.00 0.00 0.00 36.38 33.61 1iwi s VAL 295 CO 0.00 0.50 0.40 0.00 0.00 0.00 0.00 175.10 176.00 1iwi s ALA 296 N -1.00 -1.13 0.00 5.51 0.00 0.20 -2.00 121.76 123.33 1iwi s ALA 296 Ca 0.17 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1iwi s ALA 296 Cb -0.12 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 20.94 1iwi s ALA 296 CO 0.06 -1.77 0.00 -0.40 0.00 0.00 0.00 175.76 173.66 1iwi n ASP 297 N 5.31 1.31 0.00 0.00 5.75 -1.26 -4.46 116.55 123.20 1iwi n ASP 297 Ca 0.01 -0.88 0.00 0.00 -0.01 0.00 0.00 54.79 53.91 1iwi n ASP 297 Cb 0.49 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 1iwi n ASP 297 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iwi n GLY 298 N 3.27 4.27 3.24 6.12 0.00 0.51 -1.84 105.19 120.77 1iwi n GLY 298 Ca 0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 1iwi n GLY 298 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iwi s ARG 299 N 1.36 1.37 -0.02 1.61 1.81 -0.55 -4.32 118.95 120.21 1iwi s ARG 299 Ca 0.00 -1.72 0.06 0.00 -1.72 0.00 0.00 55.73 52.35 1iwi s ARG 299 Cb 0.00 0.30 -0.01 0.00 -0.45 0.00 0.00 34.95 34.78 1iwi s ARG 299 CO 0.00 -0.48 -0.19 -1.50 -0.68 0.00 0.00 175.30 172.45 1iwi s ILE 300 N -3.94 1.52 0.00 1.52 2.07 -0.17 -1.32 121.20 120.87 1iwi s ILE 300 Ca 0.39 -0.82 -0.30 0.00 -1.41 0.00 0.00 60.65 58.51 1iwi s ILE 300 Cb 0.05 -1.26 -0.05 0.00 0.13 0.00 0.00 42.46 41.34 1iwi s ILE 300 CO 0.16 0.43 1.24 -0.76 -1.91 0.00 0.00 174.94 174.10 1iwi s LEU 301 N -0.42 4.32 0.38 8.50 2.01 0.03 -0.27 118.68 133.22 1iwi s LEU 301 Ca 0.07 1.95 0.23 0.00 0.01 0.00 0.00 54.13 56.39 1iwi s LEU 301 Cb -0.08 -3.57 0.32 0.00 0.01 0.00 0.00 46.19 42.88 1iwi s LEU 301 CO -0.01 -0.57 1.53 0.71 1.01 0.00 0.00 176.35 179.02 1iwi h THR 302 N 4.79 0.00 -2.82 5.49 1.35 -1.43 0.11 112.91 120.40 1iwi h THR 302 Ca -0.38 -0.95 0.08 0.00 -0.55 0.00 0.00 66.41 64.61 1iwi h THR 302 Cb 1.18 1.86 -0.04 0.00 -1.73 0.00 0.00 68.15 69.42 1iwi h THR 302 CO 0.86 0.00 0.32 -0.94 -0.25 0.00 0.00 175.52 175.51 1iwi s SER 303 N -5.89 -0.15 0.33 5.36 1.04 -1.26 -4.79 113.70 108.34 1iwi s SER 303 Ca 0.06 -0.71 -0.29 0.00 0.48 0.00 0.00 55.95 55.49 1iwi s SER 303 Cb 0.07 0.69 -0.10 0.00 0.10 0.00 0.00 66.02 66.77 1iwi s SER 303 CO 0.68 -1.32 1.38 -1.81 0.98 0.00 0.00 173.24 173.16 1iwi s ASP 304 N -3.01 6.63 -0.25 7.02 1.11 -1.26 -3.55 116.67 123.36 1iwi s ASP 304 Ca 0.13 2.79 -0.18 0.00 0.18 0.00 0.00 52.55 55.47 1iwi s ASP 304 Cb -0.05 -2.65 0.07 0.00 1.07 0.00 0.00 42.92 41.36 1iwi s ASP 304 CO 0.07 -0.66 0.64 -0.47 1.18 0.00 0.00 175.17 175.92 1iwi s TYR 305 N -0.92 -0.85 -0.43 4.23 5.04 0.23 -4.90 117.35 119.75 1iwi s TYR 305 Ca 0.52 1.85 -0.20 0.00 -2.44 0.00 0.00 57.07 56.80 1iwi s TYR 305 Cb -0.42 0.41 0.02 0.00 0.35 0.00 0.00 41.96 42.32 1iwi s TYR 305 CO 0.54 -0.42 0.59 -2.00 -1.34 0.00 0.00 175.55 172.92 1iwi s GLU 306 N 1.02 3.26 -0.30 4.97 2.12 -1.26 0.01 118.70 128.52 1iwi s GLU 306 Ca -0.05 -0.44 -0.06 0.00 0.36 0.00 0.00 54.97 54.78 1iwi s GLU 306 Cb -0.05 -3.94 0.02 0.00 0.26 0.00 0.00 34.13 30.42 1iwi s GLU 306 CO -0.10 -0.95 0.06 0.12 -0.54 0.00 0.00 175.26 173.86 1iwi s PHE 307 N 2.64 3.17 -1.39 5.30 5.36 0.13 -4.67 117.98 128.53 1iwi s PHE 307 Ca 0.20 -1.23 -0.01 0.00 -0.96 0.00 0.00 56.93 54.92 1iwi s PHE 307 Cb -0.15 -2.23 -0.00 0.00 -0.34 0.00 0.00 43.02 40.31 1iwi s PHE 307 CO 0.17 -0.65 0.44 0.72 -1.46 0.00 0.00 175.22 174.44 1iwi n HIS 308 N 4.81 -1.66 -0.20 10.12 8.25 -1.26 -1.07 115.22 134.21 1iwi n HIS 308 Ca -0.14 0.73 0.00 0.00 -0.26 0.00 0.00 57.72 58.05 1iwi n HIS 308 Cb 0.47 -3.73 0.00 0.00 1.12 0.00 0.00 29.99 27.84 1iwi n HIS 308 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1iwi n GLY 309 N -1.97 2.41 3.67 -1.41 0.00 -1.26 -5.01 105.19 101.62 1iwi n GLY 309 Ca -0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 1iwi n GLY 309 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iwi s VAL 310 N -3.14 4.49 -0.37 1.61 1.01 -0.24 -5.07 120.40 118.69 1iwi s VAL 310 Ca 0.00 -0.17 -0.21 0.00 0.00 0.00 0.00 61.98 61.61 1iwi s VAL 310 Cb 0.00 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.45 1iwi s VAL 310 CO 0.00 0.56 0.66 -1.58 0.00 0.00 0.00 175.10 174.74 1iwi s GLN 311 N -0.48 3.60 -0.08 2.72 -0.44 -1.26 0.19 119.66 123.91 1iwi s GLN 311 Ca 0.09 -0.01 -0.06 0.00 -2.50 0.00 0.00 55.36 52.89 1iwi s GLN 311 Cb -0.12 -3.84 -0.04 0.00 -1.64 0.00 0.00 33.01 27.37 1iwi s GLN 311 CO 0.02 -0.81 0.16 -0.51 0.50 0.00 0.00 175.29 174.65 1iwi s LEU 312 N 2.79 4.38 -0.00 3.68 1.43 0.10 -4.93 118.68 126.13 1iwi s LEU 312 Ca 0.25 0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.79 1iwi s LEU 312 Cb -0.14 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 1iwi s LEU 312 CO 0.16 0.36 0.03 -0.54 0.23 0.00 0.00 176.35 176.60 1iwi s LYS 313 N -1.32 2.90 0.20 1.70 -0.14 -1.26 -0.60 119.74 121.22 1iwi s LYS 313 Ca 0.19 -0.56 -0.31 0.00 -1.36 0.00 0.00 55.97 53.93 1iwi s LYS 313 Cb -0.12 -2.75 -0.15 0.00 -1.68 0.00 0.00 37.83 33.12 1iwi s LYS 313 CO 0.09 0.64 1.07 1.17 -0.76 0.00 0.00 175.35 177.55 1iwi n LYS 314 N 1.32 1.08 -0.04 1.68 4.81 -1.23 -0.67 118.16 125.11 1iwi n LYS 314 Ca -0.14 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1iwi n LYS 314 Cb 0.53 -1.81 0.00 0.00 0.02 0.00 0.00 35.03 33.77 1iwi n LYS 314 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1iwi n GLY 315 N 1.80 1.52 3.76 3.14 0.00 0.36 -4.94 105.19 110.84 1iwi n GLY 315 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1iwi n GLY 315 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iwi s ASP 316 N -3.05 7.01 -0.08 1.61 -0.00 0.15 -4.75 116.67 117.56 1iwi s ASP 316 Ca 0.00 2.38 -0.05 0.00 -0.00 0.00 0.00 52.55 54.88 1iwi s ASP 316 Cb 0.00 -2.63 -0.04 0.00 -0.00 0.00 0.00 42.92 40.25 1iwi s ASP 316 CO 0.00 -0.33 0.13 -1.10 -0.00 0.00 0.00 175.17 173.87 1iwi s GLN 317 N -1.70 3.36 -0.07 8.23 -0.21 -1.26 -0.79 119.66 127.21 1iwi s GLN 317 Ca 0.48 -0.23 0.01 0.00 0.02 0.00 0.00 55.36 55.64 1iwi s GLN 317 Cb -0.33 -3.10 0.02 0.00 1.00 0.00 0.00 33.01 30.60 1iwi s GLN 317 CO 0.43 0.74 -0.06 -1.50 -2.12 0.00 0.00 175.29 172.78 1iwi s ILE 318 N -1.09 0.77 -0.14 1.08 2.07 -0.44 -1.38 121.20 122.07 1iwi s ILE 318 Ca 0.18 -0.21 -0.24 0.00 -1.41 0.00 0.00 60.65 58.97 1iwi s ILE 318 Cb -0.12 -0.78 -0.02 0.00 0.13 0.00 0.00 42.46 41.66 1iwi s ILE 318 CO 0.08 0.29 0.75 -0.22 -1.91 0.00 0.00 174.94 173.93 1iwi s LEU 319 N 1.18 4.21 -0.66 8.50 2.96 0.22 -1.49 118.68 133.61 1iwi s LEU 319 Ca -0.06 1.11 0.05 0.00 -0.22 0.00 0.00 54.13 55.01 1iwi s LEU 319 Cb -0.14 -3.12 0.16 0.00 0.50 0.00 0.00 46.19 43.59 1iwi s LEU 319 CO -0.02 -0.28 0.44 -0.76 -1.32 0.00 0.00 176.35 174.41 1iwi s LEU 320 N 1.67 4.71 -0.53 -0.68 1.43 -0.77 -2.02 118.68 122.49 1iwi s LEU 320 Ca 0.36 -3.65 -0.27 0.00 -1.03 0.00 0.00 54.13 49.55 1iwi s LEU 320 Cb -0.17 -1.64 -0.09 0.00 0.03 0.00 0.00 46.19 44.32 1iwi s LEU 320 CO 0.14 -0.12 2.44 -2.65 0.23 0.00 0.00 176.35 176.38 1iwi n PRO 321 N 2.26 0.97 0.08 1.29 -0.02 -1.26 -4.35 135.00 133.96 1iwi n PRO 321 Ca 0.16 0.03 0.17 0.00 -2.02 0.00 0.00 63.50 61.85 1iwi n PRO 321 Cb 0.34 -3.17 0.69 0.00 -0.02 0.00 0.00 33.50 31.34 1iwi n PRO 321 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1iwi h GLN 322 N 18.26 0.00 0.00 -0.52 7.50 -1.80 -0.82 115.11 137.73 1iwi h GLN 322 Ca -0.23 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 58.88 1iwi h GLN 322 Cb 1.27 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.80 1iwi h GLN 322 CO 1.17 0.00 -0.21 0.00 -1.50 0.00 0.00 178.83 178.29 1iwi h MET 323 N 0.00 0.00 0.00 1.46 -0.00 -1.68 -3.22 114.93 111.49 1iwi h MET 323 Ca 0.18 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 59.75 1iwi h MET 323 Cb 0.75 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.33 1iwi h MET 323 CO -0.00 0.21 -0.64 -0.07 -0.00 0.00 0.00 176.91 176.41 1iwi h LEU 324 N 0.00 0.00 -0.43 -0.10 3.38 -1.46 -3.36 115.31 113.34 1iwi h LEU 324 Ca -0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.05 1iwi h LEU 324 Cb 0.50 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.17 1iwi h LEU 324 CO 0.03 0.64 -0.10 0.28 0.09 0.00 0.00 178.44 179.37 1iwi h SER 325 N 0.00 -0.39 1.04 -0.43 0.02 -1.66 -1.48 113.55 110.65 1iwi h SER 325 Ca -0.01 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1iwi h SER 325 Cb 1.41 0.26 0.00 0.00 0.14 0.00 0.00 62.40 64.21 1iwi h SER 325 CO 0.08 -0.14 0.00 0.61 -1.14 0.00 0.00 176.83 176.24 1iwi n GLY 326 N -1.32 -1.46 0.01 -3.77 0.00 -1.26 -2.84 105.19 94.56 1iwi n GLY 326 Ca 0.03 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1iwi n GLY 326 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iwi n LEU 327 N -1.88 0.66 -4.66 0.99 4.77 -0.70 -4.69 117.00 111.49 1iwi n LEU 327 Ca 0.05 -0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.49 1iwi n LEU 327 Cb 0.33 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1iwi n LEU 327 CO 0.25 0.12 1.41 -0.62 -1.33 0.00 0.00 177.39 177.22 1iwi s ASP 328 N -3.36 6.62 0.54 -1.43 3.68 -0.64 -4.70 116.67 117.38 1iwi s ASP 328 Ca 0.07 2.29 0.22 0.00 2.13 0.00 0.00 52.55 57.26 1iwi s ASP 328 Cb 0.16 -2.53 1.50 0.00 -1.45 0.00 0.00 42.92 40.59 1iwi s ASP 328 CO 0.78 -0.96 2.18 1.05 0.13 0.00 0.00 175.17 178.35 1iwi h GLU 329 N 9.77 0.00 0.00 4.34 9.09 -1.90 -0.50 114.58 135.39 1iwi h GLU 329 Ca -0.41 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.00 1iwi h GLU 329 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 1iwi h GLU 329 CO 0.95 0.02 0.00 0.54 0.05 0.00 0.00 179.01 180.57 1iwi n ARG 330 N -4.18 0.03 -0.05 1.06 1.74 -1.26 -3.07 116.66 110.93 1iwi n ARG 330 Ca -0.03 0.27 -0.06 0.00 -0.77 0.00 0.00 57.85 57.26 1iwi n ARG 330 Cb 0.11 -1.55 -0.07 0.00 -1.02 0.00 0.00 32.46 29.93 1iwi n ARG 330 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1iwi n GLU 331 N -1.60 1.81 -3.69 5.56 1.02 -0.30 -4.98 120.64 118.47 1iwi n GLU 331 Ca 0.03 0.02 -0.19 0.00 -0.02 0.00 0.00 57.16 57.00 1iwi n GLU 331 Cb 0.18 -1.24 -0.18 0.00 -0.02 0.00 0.00 31.44 30.19 1iwi n GLU 331 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1iwi s ASN 332 N -4.44 0.94 0.44 1.62 0.01 -0.60 -4.76 114.94 108.15 1iwi s ASN 332 Ca -0.08 0.08 -0.24 0.00 -0.71 0.00 0.00 52.86 51.90 1iwi s ASN 332 Cb 0.03 -0.12 -0.08 0.00 0.41 0.00 0.00 41.25 41.49 1iwi s ASN 332 CO 0.34 -0.23 1.28 0.00 -1.51 0.00 0.00 177.10 176.98 1iwi s ALA 333 N 1.97 3.10 -1.15 0.60 0.00 -1.25 -3.25 121.76 121.78 1iwi s ALA 333 Ca 0.02 1.17 -0.28 0.00 0.00 0.00 0.00 51.96 52.88 1iwi s ALA 333 Cb -0.12 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.55 1iwi s ALA 333 CO -0.03 -0.88 0.70 0.00 0.00 0.00 0.00 175.76 175.55 1iwi h PRO 335 N -2.18 0.16 0.00 0.00 0.13 -1.83 -1.92 132.00 126.35 1iwi h PRO 335 Ca -0.69 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 1iwi h PRO 335 Cb 1.39 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1iwi h PRO 335 CO 0.49 0.10 0.00 0.52 -0.23 0.00 0.00 178.00 178.88 1iwi h MET 336 N 0.16 0.00 -6.50 0.86 2.86 -1.88 -3.45 114.93 106.99 1iwi h MET 336 Ca 0.29 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.41 1iwi h MET 336 Cb 0.93 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.56 1iwi h MET 336 CO -0.04 0.00 0.28 -1.58 1.06 0.00 0.00 176.91 176.63 1iwi s HIS 337 N -3.19 3.81 -0.33 -0.22 5.04 -0.72 -5.02 115.29 114.65 1iwi s HIS 337 Ca 0.08 1.70 -0.18 0.00 -1.54 0.00 0.00 55.06 55.12 1iwi s HIS 337 Cb 0.08 -2.95 -0.01 0.00 0.04 0.00 0.00 32.58 29.74 1iwi s HIS 337 CO 0.63 0.27 0.49 0.08 -2.34 0.00 0.00 174.74 173.87 1iwi s VAL 338 N -0.20 5.05 -0.28 0.89 1.01 -1.26 -5.02 120.40 120.57 1iwi s VAL 338 Ca 0.43 0.40 -0.01 0.00 0.00 0.00 0.00 61.98 62.80 1iwi s VAL 338 Cb -0.23 -3.92 0.09 0.00 0.00 0.00 0.00 36.38 32.33 1iwi s VAL 338 CO 0.28 -0.14 0.07 -0.62 0.00 0.00 0.00 175.10 174.68 1iwi s ASP 339 N 1.73 3.86 0.35 3.32 3.68 -1.26 -4.99 116.67 123.36 1iwi s ASP 339 Ca 0.18 -1.48 0.25 0.00 2.13 0.00 0.00 52.55 53.63 1iwi s ASP 339 Cb -0.16 -0.88 1.28 0.00 -1.45 0.00 0.00 42.92 41.71 1iwi s ASP 339 CO 0.12 -0.38 1.76 -0.26 0.13 0.00 0.00 175.17 176.54 1iwi h PHE 340 N 8.08 0.00 -0.49 -5.34 0.04 -1.95 -2.42 116.94 114.87 1iwi h PHE 340 Ca -0.14 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.54 1iwi h PHE 340 Cb 1.04 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.14 1iwi h PHE 340 CO 0.36 0.00 0.08 -1.13 -0.60 0.00 0.00 178.31 177.02 1iwi n SER 341 N -2.37 4.46 -4.69 2.17 3.41 -1.26 -4.53 113.62 110.82 1iwi n SER 341 Ca -0.01 -3.14 -0.44 0.00 -0.26 0.00 0.00 58.87 55.01 1iwi n SER 341 Cb 0.08 -0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 63.35 1iwi n SER 341 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1iwi n ARG 342 N -0.22 2.24 -0.05 4.33 1.74 -0.91 -4.87 116.66 118.92 1iwi n ARG 342 Ca 0.30 0.80 -0.03 0.00 -0.77 0.00 0.00 57.85 58.16 1iwi n ARG 342 Cb 1.13 -2.53 0.22 0.00 -1.02 0.00 0.00 32.46 30.26 1iwi n ARG 342 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1iwi h GLN 343 N 5.04 0.64 -3.27 5.56 1.08 -1.94 -3.41 115.11 118.80 1iwi h GLN 343 Ca -0.45 -0.17 -0.41 0.00 -1.45 0.00 0.00 58.65 56.17 1iwi h GLN 343 Cb 1.25 -0.08 -0.40 0.00 -0.05 0.00 0.00 27.48 28.21 1iwi h GLN 343 CO 0.82 0.69 -0.75 0.21 -0.95 0.00 0.00 178.83 178.85 1iwi s LYS 344 N -4.89 0.04 -0.46 1.46 2.47 -1.26 -5.10 119.74 111.99 1iwi s LYS 344 Ca -0.08 0.20 -0.14 0.00 -1.56 0.00 0.00 55.97 54.38 1iwi s LYS 344 Cb 0.15 -0.99 0.08 0.00 -1.46 0.00 0.00 37.83 35.60 1iwi s LYS 344 CO 0.79 -0.44 0.37 0.08 0.16 0.00 0.00 175.35 176.31 1iwi s VAL 345 N 2.14 4.99 -0.18 4.02 1.01 -1.26 -4.98 120.40 126.13 1iwi s VAL 345 Ca 0.04 -1.16 -0.06 0.00 0.00 0.00 0.00 61.98 60.80 1iwi s VAL 345 Cb -0.13 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1iwi s VAL 345 CO -0.05 -0.57 0.01 -0.55 0.00 0.00 0.00 175.10 173.94 1iwi s SER 346 N 2.52 5.09 0.25 3.32 0.15 -1.26 -5.05 113.70 118.72 1iwi s SER 346 Ca 0.04 -0.09 -0.22 0.00 0.70 0.00 0.00 55.95 56.38 1iwi s SER 346 Cb -0.24 -1.86 0.04 0.00 -1.71 0.00 0.00 66.02 62.25 1iwi s SER 346 CO 0.05 0.12 0.83 -1.38 1.20 0.00 0.00 173.24 174.07 1iwi s HIS 347 N 0.66 -0.10 -0.28 3.44 -3.43 -1.26 -4.05 115.29 110.26 1iwi s HIS 347 Ca 0.00 -0.34 0.19 0.00 -0.80 0.00 0.00 55.06 54.11 1iwi s HIS 347 Cb -0.14 0.71 0.49 0.00 -1.43 0.00 0.00 32.58 32.21 1iwi s HIS 347 CO 0.02 -1.14 1.10 0.25 -2.00 0.00 0.00 174.74 172.97 1iwi n THR 348 N -0.49 1.50 -0.13 -5.38 -2.24 -1.26 -4.91 114.28 101.37 1iwi n THR 348 Ca -0.05 -3.26 0.03 0.00 -2.27 0.00 0.00 64.05 58.49 1iwi n THR 348 Cb 0.60 0.66 0.33 0.00 -2.10 0.00 0.00 70.33 69.81 1iwi n THR 348 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1iwi h THR 349 N 4.45 1.14 -0.57 4.28 2.02 -1.87 -1.24 112.91 121.11 1iwi h THR 349 Ca -0.02 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1iwi h THR 349 Cb 1.29 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1iwi h THR 349 CO 0.36 0.15 0.00 0.49 0.37 0.00 0.00 175.52 176.89 1iwi n PHE 350 N -4.45 1.28 -0.19 3.16 3.72 -1.26 -4.80 117.46 114.92 1iwi n PHE 350 Ca 0.06 -0.51 0.00 0.00 -0.05 0.00 0.00 57.45 56.95 1iwi n PHE 350 Cb 0.07 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.40 1iwi n PHE 350 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1iwi n GLY 351 N 1.07 -2.57 3.50 1.37 0.00 -0.47 -1.01 105.19 107.07 1iwi n GLY 351 Ca 0.22 -2.04 -0.17 0.00 0.00 0.00 0.00 46.02 44.04 1iwi n GLY 351 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1iwi s HIS 352 N -0.34 -0.63 0.00 1.61 2.46 -1.26 -4.73 115.29 112.40 1iwi s HIS 352 Ca 0.00 0.98 0.00 0.00 0.47 0.00 0.00 55.06 56.51 1iwi s HIS 352 Cb 0.00 0.43 0.00 0.00 -0.13 0.00 0.00 32.58 32.88 1iwi s HIS 352 CO 0.00 -0.64 0.00 0.41 -2.47 0.00 0.00 174.74 172.04 1iwi n GLY 353 N 0.71 -1.68 0.07 1.59 0.00 -1.26 -4.16 105.19 100.45 1iwi n GLY 353 Ca -0.19 -1.55 0.07 0.00 0.00 0.00 0.00 46.02 44.36 1iwi n GLY 353 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iwi n SER 354 N 0.09 0.29 -1.62 1.61 3.41 -1.26 -2.63 113.62 113.50 1iwi n SER 354 Ca 0.00 0.60 0.01 0.00 -0.26 0.00 0.00 58.87 59.22 1iwi n SER 354 Cb 0.00 -0.65 0.31 0.00 -0.26 0.00 0.00 64.21 63.61 1iwi n SER 354 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1iwi n HIS 355 N -1.85 1.88 -1.61 7.33 -0.00 -1.26 -5.01 115.22 114.70 1iwi n HIS 355 Ca 0.01 -1.04 -0.50 0.00 -0.00 0.00 0.00 57.72 56.19 1iwi n HIS 355 Cb 0.11 -0.54 -0.05 0.00 -0.00 0.00 0.00 29.99 29.51 1iwi n HIS 355 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1iwi n LEU 356 N -0.15 2.06 -4.65 2.41 7.94 -1.08 -4.77 117.00 118.77 1iwi n LEU 356 Ca 0.32 1.11 -0.53 0.00 -1.11 0.00 0.00 56.01 55.81 1iwi n LEU 356 Cb 1.19 -1.26 -0.06 0.00 0.53 0.00 0.00 43.42 43.82 1iwi n LEU 356 CO 0.32 -0.87 1.11 0.00 -1.11 0.00 0.00 177.39 176.85 1iwi h LEU 358 N 5.92 0.00 -2.18 0.00 3.38 -1.91 -3.31 115.31 117.21 1iwi h LEU 358 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1iwi h LEU 358 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1iwi h LEU 358 CO 0.86 0.23 0.00 0.61 0.09 0.00 0.00 178.44 180.23 1iwi n GLY 359 N 1.22 1.81 0.21 0.83 0.00 -1.26 -4.38 105.19 103.63 1iwi n GLY 359 Ca -0.01 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 45.53 1iwi n GLY 359 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1iwi h GLN 360 N 2.71 0.00 -0.24 1.61 3.07 -1.91 -1.36 115.11 119.00 1iwi h GLN 360 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.60 1iwi h GLN 360 Cb 1.02 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.58 1iwi h GLN 360 CO 0.15 0.28 -0.40 0.45 0.09 0.00 0.00 178.83 179.40 1iwi h HIS 361 N 0.00 0.85 -0.24 0.06 3.86 -1.89 -0.71 115.15 117.09 1iwi h HIS 361 Ca -0.00 -0.30 -0.01 0.00 -1.16 0.00 0.00 60.37 58.90 1iwi h HIS 361 Cb 0.65 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 1iwi h HIS 361 CO 0.00 1.06 0.11 1.25 0.86 0.00 0.00 177.93 181.21 1iwi h LEU 362 N 0.40 0.33 -0.28 2.43 5.85 -1.76 -2.03 115.31 120.25 1iwi h LEU 362 Ca 0.02 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1iwi h LEU 362 Cb 0.99 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 1iwi h LEU 362 CO 0.09 0.39 0.12 0.00 -0.34 0.00 0.00 178.44 178.70 1iwi h ALA 363 N 0.95 0.33 -0.82 1.25 0.00 -1.16 -1.55 119.26 118.27 1iwi h ALA 363 Ca 0.08 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1iwi h ALA 363 Cb 0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1iwi h ALA 363 CO -0.01 -0.27 0.45 0.00 0.00 0.00 0.00 179.25 179.42 1iwi h ARG 364 N 0.27 1.14 -0.49 0.00 3.08 -1.04 -1.26 114.38 116.08 1iwi h ARG 364 Ca 0.12 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1iwi h ARG 364 Cb 0.06 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1iwi h ARG 364 CO -0.10 0.84 0.18 -0.09 -1.07 0.00 0.00 179.97 179.73 1iwi h ARG 365 N 1.15 0.74 -0.19 0.04 9.65 -0.95 -1.31 114.38 123.50 1iwi h ARG 365 Ca 0.29 -0.14 -0.09 0.00 -1.10 0.00 0.00 59.98 58.94 1iwi h ARG 365 Cb 0.03 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 1iwi h ARG 365 CO -0.05 0.67 -0.28 0.93 2.80 0.00 0.00 179.97 184.05 1iwi h GLU 366 N 0.65 0.36 -0.01 0.20 5.08 -0.89 -2.05 114.58 117.92 1iwi h GLU 366 Ca 0.16 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1iwi h GLU 366 Cb 0.22 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1iwi h GLU 366 CO -0.01 0.61 -0.04 0.82 -1.00 0.00 0.00 179.01 179.39 1iwi h ILE 367 N 0.32 1.48 -0.86 3.13 2.04 -1.03 -2.67 117.51 119.92 1iwi h ILE 367 Ca 0.05 -1.47 -0.02 0.00 1.00 0.00 0.00 64.86 64.42 1iwi h ILE 367 Cb 0.66 2.44 -0.04 0.00 -0.74 0.00 0.00 36.82 39.13 1iwi h ILE 367 CO 0.05 0.39 0.46 0.40 0.00 0.00 0.00 178.15 179.44 1iwi h ILE 368 N -0.54 1.25 -0.61 -0.67 2.04 -1.22 -1.39 117.51 116.37 1iwi h ILE 368 Ca -0.00 -0.65 -0.10 0.00 1.00 0.00 0.00 64.86 65.11 1iwi h ILE 368 Cb 0.65 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1iwi h ILE 368 CO 0.01 0.29 -0.00 0.58 0.00 0.00 0.00 178.15 179.03 1iwi h VAL 369 N 1.21 1.27 -0.14 1.67 2.07 -1.44 -1.79 116.25 119.09 1iwi h VAL 369 Ca 0.30 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1iwi h VAL 369 Cb 0.05 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1iwi h VAL 369 CO -0.05 0.42 0.05 0.74 0.02 0.00 0.00 177.57 178.76 1iwi h THR 370 N 0.97 1.16 -0.03 2.57 2.02 -1.09 -0.61 112.91 117.91 1iwi h THR 370 Ca 0.17 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1iwi h THR 370 Cb 0.56 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1iwi h THR 370 CO 0.03 0.15 0.01 -0.07 0.37 0.00 0.00 175.52 176.01 1iwi h LEU 371 N 0.07 0.00 -0.02 2.58 3.38 -1.19 -0.68 115.31 119.45 1iwi h LEU 371 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1iwi h LEU 371 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1iwi h LEU 371 CO -0.00 0.01 0.01 0.50 0.09 0.00 0.00 178.44 179.04 1iwi h LYS 372 N 0.02 0.04 0.00 1.13 3.64 -1.26 -2.47 116.57 117.66 1iwi h LYS 372 Ca 0.01 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 1iwi h LYS 372 Cb 0.01 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1iwi h LYS 372 CO -0.02 0.16 -0.52 0.93 -2.27 0.00 0.00 179.45 177.74 1iwi h GLU 373 N -0.10 0.00 0.02 1.90 4.39 -1.09 -2.65 114.58 117.05 1iwi h GLU 373 Ca 0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1iwi h GLU 373 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1iwi h GLU 373 CO -0.00 0.52 -0.01 2.35 -1.16 0.00 0.00 179.01 180.71 1iwi h TRP 374 N 0.00 -0.02 0.00 4.33 2.91 -1.13 -3.16 115.95 118.89 1iwi h TRP 374 Ca -0.01 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.01 1iwi h TRP 374 Cb 0.98 0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.63 1iwi h TRP 374 CO 0.00 0.72 0.00 -0.07 -1.03 0.00 0.00 178.44 178.06 1iwi h LEU 375 N -0.82 0.00 0.00 0.65 3.38 -1.51 0.47 115.31 117.48 1iwi h LEU 375 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1iwi h LEU 375 Cb 0.75 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.52 1iwi h LEU 375 CO 0.00 0.00 -0.93 0.74 0.09 0.00 0.00 178.44 178.34 1iwi h THR 376 N 0.00 1.32 0.04 0.22 2.02 -1.52 -3.27 112.91 111.73 1iwi h THR 376 Ca 0.00 -2.20 -0.36 0.00 0.77 0.00 0.00 66.41 64.62 1iwi h THR 376 Cb 0.28 2.44 -0.05 0.00 -1.74 0.00 0.00 68.15 69.08 1iwi h THR 376 CO 0.00 0.67 -2.15 0.54 0.37 0.00 0.00 175.52 174.95 1iwi n ARG 377 N -3.95 0.69 -3.68 6.66 1.74 -0.94 -4.57 116.66 112.62 1iwi n ARG 377 Ca -0.11 0.19 -0.28 0.00 -0.77 0.00 0.00 57.85 56.89 1iwi n ARG 377 Cb 0.83 -1.64 -0.11 0.00 -1.02 0.00 0.00 32.46 30.52 1iwi n ARG 377 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1iwi n ILE 378 N -3.21 0.50 0.27 0.55 5.41 0.16 -0.51 119.36 122.52 1iwi n ILE 378 Ca -0.33 -4.30 0.14 0.00 1.00 0.00 0.00 62.75 59.26 1iwi n ILE 378 Cb 1.05 -1.97 0.42 0.00 -0.71 0.00 0.00 39.64 38.43 1iwi n ILE 378 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1iwi h PRO 379 N 5.43 0.00 -4.59 0.38 0.13 -1.72 -3.39 132.00 128.24 1iwi h PRO 379 Ca 0.20 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.73 1iwi h PRO 379 Cb 0.81 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.58 1iwi h PRO 379 CO 0.58 0.00 -0.82 0.34 -0.23 0.00 0.00 178.00 177.87 1iwi s ASP 380 N -5.85 2.89 0.24 1.44 2.15 -1.26 -4.91 116.67 111.37 1iwi s ASP 380 Ca 0.04 -0.61 -0.21 0.00 0.43 0.00 0.00 52.55 52.20 1iwi s ASP 380 Cb 0.07 -1.16 0.04 0.00 -0.30 0.00 0.00 42.92 41.56 1iwi s ASP 380 CO 0.60 -0.09 0.67 0.72 -0.17 0.00 0.00 175.17 176.90 1iwi s PHE 381 N 1.48 -0.29 0.33 -5.34 -0.12 -1.26 -4.54 117.98 108.23 1iwi s PHE 381 Ca 0.03 -0.09 -0.14 0.00 -0.05 0.00 0.00 56.93 56.68 1iwi s PHE 381 Cb -0.14 0.65 0.03 0.00 -0.63 0.00 0.00 43.02 42.92 1iwi s PHE 381 CO -0.10 -1.10 0.66 -1.54 -0.05 0.00 0.00 175.22 173.09 1iwi s SER 382 N -2.87 0.12 0.26 1.98 1.04 -0.69 -4.77 113.70 108.78 1iwi s SER 382 Ca 0.08 -1.07 -0.29 0.00 0.48 0.00 0.00 55.95 55.15 1iwi s SER 382 Cb -0.04 0.75 -0.09 0.00 0.10 0.00 0.00 66.02 66.73 1iwi s SER 382 CO 0.00 -1.45 0.97 -0.63 0.98 0.00 0.00 173.24 173.11 1iwi s ILE 383 N -3.07 3.99 0.28 -1.02 1.01 -1.26 -1.15 121.20 119.98 1iwi s ILE 383 Ca 0.19 1.94 -0.30 0.00 0.00 0.00 0.00 60.65 62.47 1iwi s ILE 383 Cb -0.04 -4.21 -0.12 0.00 0.01 0.00 0.00 42.46 38.11 1iwi s ILE 383 CO 0.12 0.41 1.51 0.00 0.00 0.00 0.00 174.94 176.99 1iwi n ALA 384 N 1.26 2.01 -1.72 9.38 0.00 -0.51 -4.77 120.51 126.18 1iwi n ALA 384 Ca -0.01 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.38 1iwi n ALA 384 Cb 0.47 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.50 1iwi n ALA 384 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1iwi n PRO 385 N 1.95 2.61 0.00 0.00 -0.02 -1.26 -1.90 135.00 136.38 1iwi n PRO 385 Ca 0.09 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 1iwi n PRO 385 Cb 0.35 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 1iwi n PRO 385 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iwi n GLY 386 N 3.20 2.16 3.76 -1.23 0.00 -1.26 -5.02 105.19 106.79 1iwi n GLY 386 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1iwi n GLY 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iwi s ALA 387 N -2.46 3.39 -0.30 4.61 0.00 -0.80 -5.01 121.76 121.19 1iwi s ALA 387 Ca 0.00 0.84 -0.01 0.00 0.00 0.00 0.00 51.96 52.79 1iwi s ALA 387 Cb 0.00 -3.30 0.05 0.00 0.00 0.00 0.00 23.12 19.87 1iwi s ALA 387 CO 0.00 -0.09 -0.01 -0.65 0.00 0.00 0.00 175.76 175.01 1iwi s GLN 388 N -1.42 2.40 0.03 0.00 -0.21 -1.26 -4.95 119.66 114.25 1iwi s GLN 388 Ca 0.44 -1.28 -0.30 0.00 0.02 0.00 0.00 55.36 54.23 1iwi s GLN 388 Cb -0.31 -3.16 -0.05 0.00 1.00 0.00 0.00 33.01 30.49 1iwi s GLN 388 CO 0.39 -0.62 1.17 0.42 -2.12 0.00 0.00 175.29 174.53 1iwi s ILE 389 N 1.24 4.18 -0.11 1.08 -1.09 -1.26 -4.98 121.20 120.25 1iwi s ILE 389 Ca -0.05 1.56 0.03 0.00 -2.23 0.00 0.00 60.65 59.96 1iwi s ILE 389 Cb -0.20 -4.00 0.00 0.00 -1.58 0.00 0.00 42.46 36.69 1iwi s ILE 389 CO -0.01 0.09 -0.23 -1.10 -1.23 0.00 0.00 174.94 172.46 1iwi s GLN 390 N 1.33 3.01 0.33 2.79 -0.21 -1.26 -5.03 119.66 120.61 1iwi s GLN 390 Ca 0.57 -0.86 -0.00 0.00 0.02 0.00 0.00 55.36 55.09 1iwi s GLN 390 Cb -0.27 -2.33 -0.04 0.00 1.00 0.00 0.00 33.01 31.37 1iwi s GLN 390 CO 0.27 0.11 0.54 -1.01 -2.12 0.00 0.00 175.29 173.08 1iwi s HIS 391 N 0.51 3.50 -0.03 0.91 3.76 -1.26 -0.27 115.29 122.41 1iwi s HIS 391 Ca -0.15 0.40 0.04 0.00 -0.15 0.00 0.00 55.06 55.20 1iwi s HIS 391 Cb -0.17 -1.93 -0.00 0.00 1.11 0.00 0.00 32.58 31.59 1iwi s HIS 391 CO 0.05 0.14 -0.14 0.15 -0.85 0.00 0.00 174.74 174.10 1iwi s LYS 392 N -4.14 1.33 0.14 1.40 -0.14 -0.11 -4.86 119.74 113.37 1iwi s LYS 392 Ca 0.40 -0.48 0.03 0.00 -1.36 0.00 0.00 55.97 54.56 1iwi s LYS 392 Cb -0.10 -1.22 -0.04 0.00 -1.68 0.00 0.00 37.83 34.80 1iwi s LYS 392 CO 0.35 0.22 0.22 0.45 -0.76 0.00 0.00 175.35 175.83 1iwi s SER 393 N -0.02 6.06 0.00 2.83 0.15 -1.26 -1.27 113.70 120.18 1iwi s SER 393 Ca -0.01 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1iwi s SER 393 Cb -0.09 -1.76 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 1iwi s SER 393 CO 0.01 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.13 1iwi n GLY 394 N -0.35 -0.56 0.28 9.45 0.00 -1.20 -4.65 105.19 108.16 1iwi n GLY 394 Ca -0.07 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1iwi n GLY 394 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1iwi h ILE 395 N 0.00 1.18 -3.29 -0.61 1.08 -1.26 -3.38 117.51 111.22 1iwi h ILE 395 Ca 0.00 -0.65 -0.46 0.00 -0.39 0.00 0.00 64.86 63.36 1iwi h ILE 395 Cb 0.00 0.80 -0.36 0.00 -3.07 0.00 0.00 36.82 34.18 1iwi h ILE 395 CO 0.00 0.23 -0.78 -0.69 -0.69 0.00 0.00 178.15 176.22 1iwi s VAL 396 N -5.13 0.67 0.53 1.67 1.01 -1.25 -0.63 120.40 117.27 1iwi s VAL 396 Ca -0.08 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 1iwi s VAL 396 Cb 0.16 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 1iwi s VAL 396 CO 0.76 0.29 0.85 -0.44 0.00 0.00 0.00 175.10 176.56 1iwi s SER 397 N 1.55 6.10 0.14 3.32 0.01 -0.05 -4.67 113.70 120.09 1iwi s SER 397 Ca -0.00 0.95 -0.03 0.00 1.31 0.00 0.00 55.95 58.17 1iwi s SER 397 Cb -0.13 -2.16 0.01 0.00 0.21 0.00 0.00 66.02 63.96 1iwi s SER 397 CO -0.04 -0.73 0.24 0.61 0.41 0.00 0.00 173.24 173.73 1iwi n GLY 398 N -2.40 2.08 3.27 3.44 0.00 -0.40 -4.80 105.19 106.39 1iwi n GLY 398 Ca 0.02 -1.24 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 1iwi n GLY 398 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iwi s VAL 399 N -2.64 2.45 0.08 1.61 1.01 -1.26 -0.93 120.40 120.72 1iwi s VAL 399 Ca 0.08 -0.87 -0.23 0.00 0.00 0.00 0.00 61.98 60.95 1iwi s VAL 399 Cb -0.01 -1.98 -0.15 0.00 0.00 0.00 0.00 36.38 34.23 1iwi s VAL 399 CO 0.06 0.54 1.68 -0.61 0.00 0.00 0.00 175.10 176.77 1iwi h GLN 400 N 6.79 0.02 -2.48 2.72 4.15 -0.97 -3.47 115.11 121.88 1iwi h GLN 400 Ca -0.23 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.18 1iwi h GLN 400 Cb 1.22 -0.00 -0.15 0.00 0.21 0.00 0.00 27.48 28.75 1iwi h GLN 400 CO 0.51 0.08 0.27 0.00 -1.93 0.00 0.00 178.83 177.76 1iwi s ALA 401 N -5.93 -1.71 -0.39 3.38 0.00 -1.26 -4.99 121.76 110.86 1iwi s ALA 401 Ca -0.13 0.91 0.02 0.00 0.00 0.00 0.00 51.96 52.76 1iwi s ALA 401 Cb 0.06 0.42 0.16 0.00 0.00 0.00 0.00 23.12 23.76 1iwi s ALA 401 CO 0.67 -0.60 0.29 -1.17 0.00 0.00 0.00 175.76 174.95 1iwi s LEU 402 N -2.10 1.16 -0.09 0.00 2.96 -1.26 -4.53 118.68 114.82 1iwi s LEU 402 Ca -0.02 -2.67 -0.30 0.00 -0.22 0.00 0.00 54.13 50.92 1iwi s LEU 402 Cb -0.01 -0.38 -0.04 0.00 0.50 0.00 0.00 46.19 46.27 1iwi s LEU 402 CO -0.04 -0.23 1.39 -2.84 -1.32 0.00 0.00 176.35 173.31 1iwi s PRO 403 N 0.51 4.24 0.16 0.98 0.02 -1.26 -1.13 135.00 138.52 1iwi s PRO 403 Ca 0.27 1.87 0.09 0.00 0.02 0.00 0.00 61.00 63.25 1iwi s PRO 403 Cb -0.07 -3.76 -0.04 0.00 0.02 0.00 0.00 34.50 30.65 1iwi s PRO 403 CO -0.11 -0.69 -0.15 -0.51 -0.33 0.00 0.00 177.00 175.21 1iwi s LEU 404 N 3.25 2.77 0.03 -5.54 1.43 0.69 -1.42 118.68 119.90 1iwi s LEU 404 Ca 0.62 -0.63 -0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1iwi s LEU 404 Cb -0.27 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 1iwi s LEU 404 CO 0.22 0.13 -0.00 0.68 0.23 0.00 0.00 176.35 177.61 1iwi s VAL 405 N -1.49 0.15 0.04 -1.59 -7.23 -0.30 -2.00 120.40 107.98 1iwi s VAL 405 Ca 0.22 -1.24 -0.27 0.00 -1.81 0.00 0.00 61.98 58.87 1iwi s VAL 405 Cb -0.09 -0.81 0.09 0.00 0.56 0.00 0.00 36.38 36.13 1iwi s VAL 405 CO 0.12 -0.68 0.85 -1.66 -0.31 0.00 0.00 175.10 173.42 1iwi s TRP 406 N -2.51 -0.35 -0.37 2.82 -2.14 -0.60 -1.71 118.94 114.09 1iwi s TRP 406 Ca -0.06 0.18 -0.22 0.00 2.66 0.00 0.00 56.10 58.66 1iwi s TRP 406 Cb -0.02 0.56 0.01 0.00 -3.10 0.00 0.00 33.47 30.91 1iwi s TRP 406 CO -0.05 -0.63 0.73 0.34 -2.66 0.00 0.00 176.95 174.68 1iwi s ASP 407 N -2.58 6.49 0.46 -2.66 3.68 -1.26 -4.48 116.67 116.32 1iwi s ASP 407 Ca 0.05 0.21 0.22 0.00 2.13 0.00 0.00 52.55 55.16 1iwi s ASP 407 Cb -0.01 -2.37 1.22 0.00 -1.45 0.00 0.00 42.92 40.31 1iwi s ASP 407 CO -0.08 -0.71 1.89 -0.65 0.13 0.00 0.00 175.17 175.75 1iwi h PRO 408 N 8.54 0.25 -0.01 4.34 0.11 -1.88 0.58 132.00 143.94 1iwi h PRO 408 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1iwi h PRO 408 Cb 1.10 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1iwi h PRO 408 CO 0.89 0.17 0.03 0.00 -0.21 0.00 0.00 178.00 178.88 1iwi h ALA 409 N 1.61 1.13 -0.02 -0.75 0.00 -1.94 -0.10 119.26 119.19 1iwi h ALA 409 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1iwi h ALA 409 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1iwi h ALA 409 CO -0.11 -0.03 -0.02 0.25 0.00 0.00 0.00 179.25 179.34 1iwi n THR 410 N -3.21 0.00 -2.50 0.00 -2.24 0.20 -4.95 114.28 101.57 1iwi n THR 410 Ca -0.03 -0.37 -0.26 0.00 -2.27 0.00 0.00 64.05 61.12 1iwi n THR 410 Cb 0.10 1.02 0.03 0.00 -2.10 0.00 0.00 70.33 69.38 1iwi n THR 410 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1iwi s THR 411 N -2.02 3.66 -0.15 4.28 -4.23 -0.05 -4.66 115.64 112.46 1iwi s THR 411 Ca 0.32 -0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 60.71 1iwi s THR 411 Cb 0.20 -3.44 0.04 0.00 1.34 0.00 0.00 72.50 70.65 1iwi s THR 411 CO 0.33 -0.42 -0.05 -0.54 -0.54 0.00 0.00 174.62 173.40 1iwi s LYS 412 N -4.91 1.38 0.29 3.99 1.02 0.33 -5.02 119.74 116.82 1iwi s LYS 412 Ca 0.53 -0.42 -0.29 0.00 0.02 0.00 0.00 55.97 55.80 1iwi s LYS 412 Cb -0.10 -1.87 -0.10 0.00 -0.52 0.00 0.00 37.83 35.24 1iwi s LYS 412 CO 0.44 -0.40 1.13 0.00 -0.92 0.00 0.00 175.35 175.60 1iwi s ALA 413 N 1.68 3.42 0.00 5.17 0.00 -1.26 -4.32 121.76 126.45 1iwi s ALA 413 Ca 0.02 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1iwi s ALA 413 Cb -0.15 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1iwi s ALA 413 CO -0.08 -0.24 0.19 0.28 0.00 0.00 0.00 175.76 175.91