#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iuy s LEU 14 N 0.00 4.27 -0.32 1.53 1.43 -1.26 -4.90 118.68 119.43 2iuy s LEU 14 Ca 0.00 0.66 -0.12 0.00 -1.03 0.00 0.00 54.13 53.64 2iuy s LEU 14 Cb 0.00 -3.29 -0.03 0.00 0.03 0.00 0.00 46.19 42.91 2iuy s LEU 14 CO 0.00 0.06 0.22 -0.54 0.23 0.00 0.00 176.35 176.32 2iuy s LYS 15 N -2.53 3.64 -0.18 1.70 1.02 -1.26 -0.04 119.74 122.09 2iuy s LYS 15 Ca 0.40 -0.54 -0.00 0.00 0.02 0.00 0.00 55.97 55.85 2iuy s LYS 15 Cb -0.12 -3.74 0.01 0.00 -0.52 0.00 0.00 37.83 33.46 2iuy s LYS 15 CO 0.23 -0.35 -0.16 0.08 -0.92 0.00 0.00 175.35 174.23 2iuy s VAL 16 N 1.73 2.42 -0.37 3.17 1.01 0.46 -0.68 120.40 128.14 2iuy s VAL 16 Ca 0.06 -0.82 -0.21 0.00 0.00 0.00 0.00 61.98 61.01 2iuy s VAL 16 Cb -0.17 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.18 2iuy s VAL 16 CO 0.10 0.51 0.65 0.00 0.00 0.00 0.00 175.10 176.37 2iuy s ALA 17 N 1.24 3.44 -0.27 5.51 0.00 0.68 -0.66 121.76 131.70 2iuy s ALA 17 Ca 0.03 -0.87 -0.09 0.00 0.00 0.00 0.00 51.96 51.03 2iuy s ALA 17 Cb -0.14 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2iuy s ALA 17 CO -0.08 -1.40 0.14 -0.51 0.00 0.00 0.00 175.76 173.90 2iuy s LEU 18 N 2.76 3.77 -0.38 0.00 1.43 0.24 0.02 118.68 126.53 2iuy s LEU 18 Ca 0.25 -0.09 -0.09 0.00 -1.03 0.00 0.00 54.13 53.17 2iuy s LEU 18 Cb -0.14 -2.04 0.05 0.00 0.03 0.00 0.00 46.19 44.09 2iuy s LEU 18 CO 0.15 -0.04 0.19 -0.69 0.23 0.00 0.00 176.35 176.19 2iuy s VAL 19 N 1.69 4.14 0.64 -1.59 1.01 -0.20 -1.29 120.40 124.81 2iuy s VAL 19 Ca 0.07 -1.17 -0.13 0.00 0.00 0.00 0.00 61.98 60.74 2iuy s VAL 19 Cb -0.16 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 2iuy s VAL 19 CO 0.08 -0.32 1.06 0.21 0.00 0.00 0.00 175.10 176.12 2iuy s ASN 20 N 1.70 5.60 -0.27 3.32 2.47 0.02 -0.54 114.94 127.23 2iuy s ASN 20 Ca 0.01 1.72 -0.29 0.00 0.42 0.00 0.00 52.86 54.72 2iuy s ASN 20 Cb -0.21 -2.51 -0.02 0.00 -1.45 0.00 0.00 41.25 37.06 2iuy s ASN 20 CO 0.03 -1.29 1.60 -0.51 -3.72 0.00 0.00 177.10 173.21 2iuy s ILE 21 N -2.74 3.71 -0.39 -5.21 2.07 -1.26 -4.46 121.20 112.93 2iuy s ILE 21 Ca 0.61 0.78 -0.29 0.00 -1.41 0.00 0.00 60.65 60.34 2iuy s ILE 21 Cb -0.15 -3.79 0.00 0.00 0.13 0.00 0.00 42.46 38.66 2iuy s ILE 21 CO 0.45 -0.39 1.48 -2.84 -1.91 0.00 0.00 174.94 171.74 2iuy s PRO 22 N 4.86 3.56 -0.02 3.50 0.02 -1.26 -4.94 135.00 140.72 2iuy s PRO 22 Ca 0.71 1.06 -0.01 0.00 0.02 0.00 0.00 61.00 62.78 2iuy s PRO 22 Cb -0.22 -4.05 0.01 0.00 0.02 0.00 0.00 34.50 30.26 2iuy s PRO 22 CO 0.30 -1.58 0.04 -0.51 -0.33 0.00 0.00 177.00 174.91 2iuy s LEU 23 N 5.62 1.73 0.31 -5.54 1.43 -1.26 -5.02 118.68 115.96 2iuy s LEU 23 Ca 0.65 0.08 -0.14 0.00 -1.03 0.00 0.00 54.13 53.68 2iuy s LEU 23 Cb -0.16 0.11 -0.09 0.00 0.03 0.00 0.00 46.19 46.09 2iuy s LEU 23 CO 0.32 -0.03 0.72 -0.13 0.23 0.00 0.00 176.35 177.46 2iuy s ARG 24 N 0.18 3.98 0.13 1.70 0.52 -1.26 -0.82 118.95 123.38 2iuy s ARG 24 Ca -0.01 0.63 -0.34 0.00 -0.52 0.00 0.00 55.73 55.48 2iuy s ARG 24 Cb -0.02 -2.45 -0.14 0.00 0.52 0.00 0.00 34.95 32.86 2iuy s ARG 24 CO -0.01 0.17 1.56 0.28 0.02 0.00 0.00 175.30 177.33 2iuy n VAL 25 N -0.35 0.03 -1.67 3.52 0.31 0.18 -4.69 118.33 115.65 2iuy n VAL 25 Ca 0.03 -0.01 -0.46 0.00 -0.01 0.00 0.00 64.34 63.89 2iuy n VAL 25 Cb 0.53 -1.45 -0.04 0.00 -0.91 0.00 0.00 33.84 31.97 2iuy n VAL 25 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2iuy n PRO 26 N 3.47 2.20 -0.69 5.55 -0.02 -1.26 -0.93 135.00 143.32 2iuy n PRO 26 Ca 0.18 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 2iuy n PRO 26 Cb 0.27 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 2iuy n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2iuy n GLY 27 N 3.79 0.77 3.29 -1.23 0.00 -1.26 -5.02 105.19 105.52 2iuy n GLY 27 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 2iuy n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2iuy s SER 28 N -2.61 1.85 0.19 1.61 0.15 -0.11 -5.05 113.70 109.73 2iuy s SER 28 Ca 0.00 -1.09 0.25 0.00 0.70 0.00 0.00 55.95 55.81 2iuy s SER 28 Cb 0.00 -0.01 0.55 0.00 -1.71 0.00 0.00 66.02 64.85 2iuy s SER 28 CO 0.00 -0.39 1.54 0.44 1.20 0.00 0.00 173.24 176.03 2iuy h ASP 29 N 2.65 0.00 -4.10 5.45 3.32 -1.96 -3.40 116.42 118.38 2iuy h ASP 29 Ca -0.37 -0.09 -0.51 0.00 0.02 0.00 0.00 57.03 56.08 2iuy h ASP 29 Cb 1.20 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.84 2iuy h ASP 29 CO 0.64 0.04 0.43 0.00 -1.72 0.00 0.00 179.24 178.63 2iuy s ALA 30 N -3.15 2.63 0.15 3.45 0.00 -1.26 -4.88 121.76 118.71 2iuy s ALA 30 Ca 0.08 0.83 -0.16 0.00 0.00 0.00 0.00 51.96 52.71 2iuy s ALA 30 Cb 0.12 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 2iuy s ALA 30 CO 0.66 -0.92 0.59 -1.58 0.00 0.00 0.00 175.76 174.51 2iuy s TRP 31 N -1.80 3.65 0.34 0.00 0.52 -1.26 -0.65 118.94 119.74 2iuy s TRP 31 Ca 0.73 1.18 -0.29 0.00 0.02 0.00 0.00 56.10 57.74 2iuy s TRP 31 Cb -0.25 -2.45 -0.10 0.00 -1.15 0.00 0.00 33.47 29.52 2iuy s TRP 31 CO 0.30 0.44 1.34 0.42 0.02 0.00 0.00 176.95 179.47 2iuy s ILE 32 N -1.41 2.60 0.64 2.03 1.01 -0.00 -4.64 121.20 121.42 2iuy s ILE 32 Ca 0.37 0.61 -0.01 0.00 0.00 0.00 0.00 60.65 61.62 2iuy s ILE 32 Cb -0.16 -3.39 0.07 0.00 0.01 0.00 0.00 42.46 39.00 2iuy s ILE 32 CO 0.20 0.14 0.90 -0.94 0.00 0.00 0.00 174.94 175.24 2iuy s SER 33 N -0.42 4.84 -0.19 3.58 1.04 -1.26 -4.66 113.70 116.63 2iuy s SER 33 Ca 0.50 -0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.89 2iuy s SER 33 Cb -0.41 -0.61 0.03 0.00 0.10 0.00 0.00 66.02 65.13 2iuy s SER 33 CO 0.55 -1.50 -0.14 -0.69 0.98 0.00 0.00 173.24 172.44 2iuy s VAL 34 N -3.00 1.82 0.72 5.02 1.01 -1.26 -2.24 120.40 122.47 2iuy s VAL 34 Ca 0.61 -1.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 2iuy s VAL 34 Cb -0.09 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 34.54 2iuy s VAL 34 CO 0.42 0.31 1.08 -2.16 0.00 0.00 0.00 175.10 174.74 2iuy s PRO 35 N 1.35 2.65 0.53 2.72 0.04 -1.26 -4.29 135.00 136.73 2iuy s PRO 35 Ca 0.01 1.10 -0.16 0.00 0.04 0.00 0.00 61.00 61.99 2iuy s PRO 35 Cb -0.15 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 2iuy s PRO 35 CO -0.10 -1.34 1.00 -1.25 0.04 0.00 0.00 177.00 175.35 2iuy s PRO 36 N -4.83 3.86 0.17 0.56 0.04 -0.95 -4.95 135.00 128.90 2iuy s PRO 36 Ca 0.61 0.94 -0.08 0.00 0.04 0.00 0.00 61.00 62.51 2iuy s PRO 36 Cb -0.16 -2.12 0.05 0.00 0.04 0.00 0.00 34.50 32.31 2iuy s PRO 36 CO 0.53 -0.35 1.53 1.96 0.04 0.00 0.00 177.00 180.71 2iuy h GLN 37 N 0.72 0.84 0.00 4.56 7.50 -1.97 -3.44 115.11 123.32 2iuy h GLN 37 Ca -0.46 -0.42 0.00 0.00 0.50 0.00 0.00 58.65 58.27 2iuy h GLN 37 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.72 2iuy h GLN 37 CO 0.61 1.06 0.00 0.41 -1.50 0.00 0.00 178.83 179.41 2iuy n GLY 38 N 0.03 2.64 3.74 3.46 0.00 -1.26 -3.78 105.19 110.01 2iuy n GLY 38 Ca -0.02 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 2iuy n GLY 38 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2iuy s TYR 39 N 3.77 3.80 0.00 1.61 5.04 -1.26 -4.79 117.35 125.51 2iuy s TYR 39 Ca 0.00 1.78 0.00 0.00 -2.44 0.00 0.00 57.07 56.41 2iuy s TYR 39 Cb 0.00 -3.10 0.00 0.00 0.35 0.00 0.00 41.96 39.21 2iuy s TYR 39 CO 0.00 0.06 0.00 0.41 -1.34 0.00 0.00 175.55 174.68 2iuy n GLY 40 N 1.99 -0.28 0.19 8.97 0.00 -1.26 -5.02 105.19 109.78 2iuy n GLY 40 Ca 0.01 0.71 -0.12 0.00 0.00 0.00 0.00 46.02 46.62 2iuy n GLY 40 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2iuy h GLY 41 N 0.00 -0.25 0.81 -0.02 0.00 -2.00 -2.93 103.07 98.67 2iuy h GLY 41 Ca 0.00 0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.59 2iuy h GLY 41 CO 0.00 -0.15 0.54 -2.22 0.00 0.00 0.00 176.54 174.71 2iuy h ILE 42 N -0.29 0.96 -0.33 2.60 2.04 -1.97 -2.01 117.51 118.52 2iuy h ILE 42 Ca 0.02 -0.27 -0.13 0.00 1.00 0.00 0.00 64.86 65.48 2iuy h ILE 42 Cb 0.31 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 2iuy h ILE 42 CO -0.09 0.14 -0.32 1.56 0.00 0.00 0.00 178.15 179.44 2iuy h GLN 43 N 0.79 0.72 -0.47 2.37 7.50 -1.90 -1.01 115.11 123.11 2iuy h GLN 43 Ca 0.38 -0.33 -0.05 0.00 0.50 0.00 0.00 58.65 59.15 2iuy h GLN 43 Cb 0.42 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.92 2iuy h GLN 43 CO -0.15 0.94 0.11 -1.49 -1.50 0.00 0.00 178.83 176.74 2iuy h TRP 44 N 0.60 0.79 -0.34 2.96 4.06 -1.27 -2.30 115.95 120.46 2iuy h TRP 44 Ca 0.07 -0.10 0.06 0.00 2.06 0.00 0.00 58.89 60.98 2iuy h TRP 44 Cb 0.84 -0.22 -0.05 0.00 -1.00 0.00 0.00 29.16 28.73 2iuy h TRP 44 CO 0.04 0.72 0.02 0.28 -3.56 0.00 0.00 178.44 175.95 2iuy h VAL 45 N 0.63 0.78 -0.71 1.49 2.07 -0.79 -1.83 116.25 117.89 2iuy h VAL 45 Ca 0.15 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.55 2iuy h VAL 45 Cb 0.33 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2iuy h VAL 45 CO 0.00 0.02 0.16 0.58 0.02 0.00 0.00 177.57 178.36 2iuy h VAL 46 N 0.12 1.26 -0.31 2.57 2.07 -1.15 0.14 116.25 120.96 2iuy h VAL 46 Ca 0.16 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.72 2iuy h VAL 46 Cb 0.21 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 2iuy h VAL 46 CO -0.25 0.38 0.14 0.00 0.02 0.00 0.00 177.57 177.86 2iuy h ALA 47 N 1.08 0.37 -0.23 1.67 0.00 -1.06 -3.15 119.26 117.93 2iuy h ALA 47 Ca 0.22 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 2iuy h ALA 47 Cb 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2iuy h ALA 47 CO 0.00 -0.24 -0.44 -0.91 0.00 0.00 0.00 179.25 177.66 2iuy h ASN 48 N 0.30 0.79 0.00 0.00 2.35 -1.06 -2.04 115.58 115.92 2iuy h ASN 48 Ca 0.13 -0.54 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 2iuy h ASN 48 Cb 0.06 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.20 2iuy h ASN 48 CO -0.10 1.18 0.00 -0.11 -1.65 0.00 0.00 177.43 176.75 2iuy n LEU 49 N -4.17 0.00 0.00 1.61 7.94 0.01 -2.37 117.00 120.03 2iuy n LEU 49 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 2iuy n LEU 49 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 2iuy n LEU 49 CO 0.47 0.00 0.00 0.47 -1.11 0.00 0.00 177.39 177.22 2iuy n ASP 51 N 0.39 0.00 0.03 1.96 8.00 -0.77 -1.85 116.55 124.31 2iuy n ASP 51 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 2iuy n ASP 51 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 2iuy n ASP 51 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2iuy h GLY 52 N 0.00 -0.13 0.99 0.44 0.00 -1.67 -0.88 103.07 101.82 2iuy h GLY 52 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 2iuy h GLY 52 CO 0.00 -0.14 0.26 1.41 0.00 0.00 0.00 176.54 178.07 2iuy h LEU 53 N -0.21 0.51 -0.76 3.11 3.38 -1.65 -0.64 115.31 119.05 2iuy h LEU 53 Ca 0.07 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2iuy h LEU 53 Cb 0.30 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2iuy h LEU 53 CO -0.18 0.41 0.38 -0.07 0.09 0.00 0.00 178.44 179.07 2iuy h LEU 54 N 0.56 0.99 -1.13 1.67 3.38 -1.72 -2.23 115.31 116.82 2iuy h LEU 54 Ca 0.15 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2iuy h LEU 54 Cb -0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2iuy h LEU 54 CO -0.03 0.84 -0.21 -0.08 0.09 0.00 0.00 178.44 179.04 2iuy h GLU 55 N 1.07 0.35 0.00 1.13 4.81 -0.67 -2.08 114.58 119.19 2iuy h GLU 55 Ca 0.26 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2iuy h GLU 55 Cb 0.10 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2iuy h GLU 55 CO -0.03 0.55 0.00 1.28 -0.73 0.00 0.00 179.01 180.08 2iuy n LEU 56 N -4.17 0.00 0.00 1.64 4.77 -0.29 -4.91 117.00 114.04 2iuy n LEU 56 Ca -0.00 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2iuy n LEU 56 Cb 0.35 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2iuy n LEU 56 CO 0.40 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2iuy n GLY 57 N 0.52 0.64 3.85 -0.72 0.00 -0.78 -5.07 105.19 103.63 2iuy n GLY 57 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2iuy n GLY 57 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2iuy s HIS 58 N -2.00 3.44 -0.10 1.61 3.76 -0.86 -4.75 115.29 116.38 2iuy s HIS 58 Ca 0.00 1.35 -0.15 0.00 -0.15 0.00 0.00 55.06 56.11 2iuy s HIS 58 Cb 0.00 -2.69 -0.05 0.00 1.11 0.00 0.00 32.58 30.96 2iuy s HIS 58 CO 0.00 -0.24 0.36 -2.00 -0.85 0.00 0.00 174.74 172.01 2iuy s GLU 59 N -3.84 4.14 -0.14 1.40 2.12 0.95 -4.21 118.70 119.12 2iuy s GLU 59 Ca 0.57 0.26 0.02 0.00 0.36 0.00 0.00 54.97 56.18 2iuy s GLU 59 Cb -0.10 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.93 2iuy s GLU 59 CO 0.28 0.37 -0.20 0.08 -0.54 0.00 0.00 175.26 175.26 2iuy s VAL 60 N 0.00 2.32 -0.30 3.70 1.01 0.35 -0.41 120.40 127.09 2iuy s VAL 60 Ca 0.21 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 2iuy s VAL 60 Cb -0.14 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.31 2iuy s VAL 60 CO 0.08 0.54 0.06 -0.36 0.00 0.00 0.00 175.10 175.42 2iuy s PHE 61 N 0.71 3.16 -0.19 5.22 0.08 0.16 -0.52 117.98 126.60 2iuy s PHE 61 Ca -0.09 -1.17 -0.13 0.00 0.12 0.00 0.00 56.93 55.66 2iuy s PHE 61 Cb -0.16 -2.22 -0.05 0.00 -0.57 0.00 0.00 43.02 40.02 2iuy s PHE 61 CO 0.01 -0.63 0.27 -1.17 -0.10 0.00 0.00 175.22 173.60 2iuy s LEU 62 N 1.45 4.19 0.17 -0.37 2.96 -0.12 -0.59 118.68 126.37 2iuy s LEU 62 Ca 0.01 0.39 0.10 0.00 -0.22 0.00 0.00 54.13 54.41 2iuy s LEU 62 Cb -0.18 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 2iuy s LEU 62 CO 0.01 0.05 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.11 2iuy s LEU 63 N 0.82 2.41 -0.41 -0.68 1.43 -0.41 -1.31 118.68 120.52 2iuy s LEU 63 Ca 0.14 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 2iuy s LEU 63 Cb -0.13 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.04 2iuy s LEU 63 CO 0.04 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.31 2iuy n GLY 64 N 0.42 0.60 2.61 -3.19 0.00 -0.51 -0.80 105.19 104.32 2iuy n GLY 64 Ca -0.14 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 2iuy n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iuy n ALA 65 N 0.66 0.71 -1.65 4.61 0.00 -1.25 -4.21 120.51 119.39 2iuy n ALA 65 Ca -0.04 -1.96 -0.35 0.00 0.00 0.00 0.00 53.44 51.09 2iuy n ALA 65 Cb 0.20 -1.05 0.04 0.00 0.00 0.00 0.00 19.45 18.64 2iuy n ALA 65 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2iuy s PRO 66 N -0.62 2.86 0.00 0.00 0.04 -1.26 -2.39 135.00 133.63 2iuy s PRO 66 Ca 0.26 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2iuy s PRO 66 Cb 0.35 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.96 2iuy s PRO 66 CO -0.06 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.12 2iuy n GLY 67 N 0.27 1.36 3.74 0.56 0.00 -1.26 -4.78 105.19 105.09 2iuy n GLY 67 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2iuy n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2iuy s SER 68 N -3.15 4.78 0.35 1.61 0.01 -1.00 -4.95 113.70 111.33 2iuy s SER 68 Ca 0.00 2.30 -0.28 0.00 1.31 0.00 0.00 55.95 59.27 2iuy s SER 68 Cb 0.00 -2.59 -0.12 0.00 0.21 0.00 0.00 66.02 63.53 2iuy s SER 68 CO 0.00 -1.87 1.43 -2.65 0.41 0.00 0.00 173.24 170.56 2iuy n PRO 69 N -2.20 2.45 0.00 12.44 -0.02 -1.26 -4.92 135.00 141.49 2iuy n PRO 69 Ca 0.13 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 2iuy n PRO 69 Cb 0.50 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2iuy n PRO 69 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2iuy n ALA 70 N 0.70 2.34 -0.00 3.55 0.00 -1.26 -4.88 120.51 120.96 2iuy n ALA 70 Ca 0.04 -0.57 -0.10 0.00 0.00 0.00 0.00 53.44 52.82 2iuy n ALA 70 Cb 0.37 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 2iuy n ALA 70 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2iuy h GLY 71 N 0.00 0.03 -4.89 0.00 0.00 -1.91 -3.45 103.07 92.85 2iuy h GLY 71 Ca 0.00 0.08 -0.64 0.00 0.00 0.00 0.00 47.33 46.77 2iuy h GLY 71 CO 0.00 -0.08 0.05 0.54 0.00 0.00 0.00 176.54 177.04 2iuy n ARG 72 N -5.20 0.00 -2.39 4.80 5.12 -1.26 -4.89 116.66 112.84 2iuy n ARG 72 Ca -0.04 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.51 2iuy n ARG 72 Cb 0.13 -1.22 -0.03 0.00 -1.16 0.00 0.00 32.46 30.18 2iuy n ARG 72 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 2iuy s PRO 73 N -0.00 4.02 0.00 5.56 0.02 -1.26 -2.42 135.00 140.91 2iuy s PRO 73 Ca 0.74 1.69 0.00 0.00 0.02 0.00 0.00 61.00 63.45 2iuy s PRO 73 Cb -1.04 -2.55 0.00 0.00 0.02 0.00 0.00 34.50 30.93 2iuy s PRO 73 CO 0.47 -0.31 0.00 0.41 -0.33 0.00 0.00 177.00 177.24 2iuy n GLY 74 N 0.47 2.05 3.62 0.52 0.00 -1.26 -5.02 105.19 105.57 2iuy n GLY 74 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 2iuy n GLY 74 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2iuy s LEU 75 N 0.00 3.88 -0.18 0.99 2.96 -1.02 -0.49 118.68 124.83 2iuy s LEU 75 Ca 0.00 0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 2iuy s LEU 75 Cb 0.00 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.69 2iuy s LEU 75 CO 0.00 0.10 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.04 2iuy s THR 76 N 0.80 2.05 -0.50 3.68 2.01 0.33 -4.85 115.64 119.16 2iuy s THR 76 Ca 0.05 -0.94 -0.24 0.00 0.31 0.00 0.00 61.69 60.87 2iuy s THR 76 Cb -0.13 -1.85 0.03 0.00 0.01 0.00 0.00 72.50 70.56 2iuy s THR 76 CO 0.02 0.54 0.89 -0.69 -0.69 0.00 0.00 174.62 174.70 2iuy s VAL 77 N 1.25 4.48 -0.04 3.82 1.01 -1.26 -0.94 120.40 128.73 2iuy s VAL 77 Ca 0.04 0.43 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 2iuy s VAL 77 Cb -0.13 -4.45 -0.03 0.00 0.00 0.00 0.00 36.38 31.76 2iuy s VAL 77 CO -0.12 -0.94 1.09 -0.69 0.00 0.00 0.00 175.10 174.44 2iuy s VAL 78 N 3.71 4.53 -0.69 2.92 1.01 -0.43 -4.93 120.40 126.51 2iuy s VAL 78 Ca 0.32 1.82 -0.05 0.00 0.00 0.00 0.00 61.98 64.06 2iuy s VAL 78 Cb -0.12 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 2iuy s VAL 78 CO 0.22 0.06 2.28 -0.81 0.00 0.00 0.00 175.10 176.85 2iuy n PRO 79 N 4.60 1.96 -3.82 2.72 -0.04 -1.26 -4.39 135.00 134.77 2iuy n PRO 79 Ca 0.09 -1.26 -0.27 0.00 -0.04 0.00 0.00 63.50 62.02 2iuy n PRO 79 Cb 0.48 -2.28 -0.17 0.00 -0.04 0.00 0.00 33.50 31.49 2iuy n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2iuy s ALA 80 N 2.79 1.19 -0.13 0.55 0.00 -1.26 -5.00 121.76 119.90 2iuy s ALA 80 Ca 0.43 -0.66 -0.14 0.00 0.00 0.00 0.00 51.96 51.59 2iuy s ALA 80 Cb 0.14 -1.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.14 2iuy s ALA 80 CO -0.03 -0.85 -0.27 0.41 0.00 0.00 0.00 175.76 175.03 2iuy n GLY 81 N 4.98 -0.47 3.84 0.00 0.00 -1.26 -1.43 105.19 110.85 2iuy n GLY 81 Ca -0.10 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 2iuy n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2iuy s GLU 82 N -2.55 3.58 0.27 1.61 -1.05 -1.26 -4.56 118.70 114.74 2iuy s GLU 82 Ca -0.22 0.91 -0.02 0.00 -0.15 0.00 0.00 54.97 55.49 2iuy s GLU 82 Cb 0.03 -2.08 0.58 0.00 -0.44 0.00 0.00 34.13 32.23 2iuy s GLU 82 CO 0.33 -0.58 1.65 -1.35 0.95 0.00 0.00 175.26 176.25 2iuy h PRO 83 N 0.14 0.17 -0.60 -4.83 0.11 -1.95 -1.58 132.00 123.46 2iuy h PRO 83 Ca -0.45 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 2iuy h PRO 83 Cb 1.20 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2iuy h PRO 83 CO 0.60 0.12 0.02 1.05 -0.21 0.00 0.00 178.00 179.58 2iuy h GLU 84 N 0.18 1.04 -0.47 1.05 4.11 -1.94 0.51 114.58 119.06 2iuy h GLU 84 Ca 0.49 -0.31 -0.11 0.00 0.07 0.00 0.00 59.36 59.49 2iuy h GLU 84 Cb 0.93 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 2iuy h GLU 84 CO -0.65 1.00 -0.16 0.93 0.07 0.00 0.00 179.01 180.20 2iuy h GLU 85 N 0.95 0.90 -0.34 1.06 5.08 -1.78 -1.00 114.58 119.47 2iuy h GLU 85 Ca 0.17 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 2iuy h GLU 85 Cb 0.52 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2iuy h GLU 85 CO 0.03 1.00 0.02 0.82 -1.00 0.00 0.00 179.01 179.87 2iuy h ILE 86 N 0.80 1.25 -0.77 3.13 2.04 -0.86 -2.13 117.51 120.97 2iuy h ILE 86 Ca 0.12 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 2iuy h ILE 86 Cb 0.70 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 2iuy h ILE 86 CO 0.05 0.30 0.37 -0.33 0.00 0.00 0.00 178.15 178.54 2iuy h GLU 87 N 0.39 1.11 -0.53 2.37 5.08 -0.79 -1.58 114.58 120.64 2iuy h GLU 87 Ca 0.10 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2iuy h GLU 87 Cb 0.42 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2iuy h GLU 87 CO 0.01 0.87 0.31 -0.09 -1.00 0.00 0.00 179.01 179.10 2iuy h ARG 88 N 1.09 0.73 -0.21 2.33 2.43 -1.13 -2.22 114.38 117.39 2iuy h ARG 88 Ca 0.26 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 2iuy h ARG 88 Cb 0.12 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2iuy h ARG 88 CO -0.03 0.55 0.05 2.35 -1.51 0.00 0.00 179.97 181.38 2iuy h TRP 89 N 0.71 0.36 -0.34 2.20 7.01 -1.16 -3.13 115.95 121.60 2iuy h TRP 89 Ca 0.19 -0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 2iuy h TRP 89 Cb 0.02 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 26.96 2iuy h TRP 89 CO -0.02 0.46 0.20 -0.07 -2.79 0.00 0.00 178.44 176.22 2iuy h LEU 90 N 0.16 0.40 -1.60 0.65 3.38 -1.19 -2.28 115.31 114.84 2iuy h LEU 90 Ca 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2iuy h LEU 90 Cb 0.28 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2iuy h LEU 90 CO 0.00 0.32 0.06 -0.09 0.09 0.00 0.00 178.44 178.82 2iuy h ARG 91 N 0.47 0.31 -0.01 1.13 2.43 -1.34 -3.13 114.38 114.24 2iuy h ARG 91 Ca 0.12 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2iuy h ARG 91 Cb -0.01 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2iuy h ARG 91 CO -0.02 0.29 -0.05 0.25 -1.51 0.00 0.00 179.97 178.93 2iuy n THR 92 N -4.41 0.00 -2.23 0.20 -2.24 -1.12 -4.28 114.28 100.19 2iuy n THR 92 Ca 0.00 -0.48 -0.41 0.00 -2.27 0.00 0.00 64.05 60.90 2iuy n THR 92 Cb 0.15 1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 69.54 2iuy n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2iuy s ALA 93 N -0.98 3.49 -1.24 6.98 0.00 -0.87 -4.96 121.76 124.18 2iuy s ALA 93 Ca 0.11 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 53.07 2iuy s ALA 93 Cb 0.08 -3.45 0.17 0.00 0.00 0.00 0.00 23.12 19.93 2iuy s ALA 93 CO 0.16 -0.50 1.63 -3.47 0.00 0.00 0.00 175.76 173.58 2iuy n ASP 94 N 1.76 5.20 -4.41 0.00 2.03 -1.26 -4.80 116.55 115.07 2iuy n ASP 94 Ca 0.03 -3.05 -0.21 0.00 0.52 0.00 0.00 54.79 52.08 2iuy n ASP 94 Cb 0.43 -1.52 -0.10 0.00 -0.72 0.00 0.00 41.12 39.21 2iuy n ASP 94 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2iuy s VAL 95 N 0.89 2.11 -0.09 5.18 -7.23 -1.26 -4.95 120.40 115.05 2iuy s VAL 95 Ca 0.41 -2.30 0.14 0.00 -1.81 0.00 0.00 61.98 58.42 2iuy s VAL 95 Cb 0.03 -2.16 -0.09 0.00 0.56 0.00 0.00 36.38 34.72 2iuy s VAL 95 CO 0.00 -0.49 1.11 0.44 -0.31 0.00 0.00 175.10 175.85 2iuy h ASP 96 N 2.44 0.00 -3.39 4.85 3.32 -1.26 -3.43 116.42 118.95 2iuy h ASP 96 Ca -0.39 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.47 2iuy h ASP 96 Cb 1.24 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.50 2iuy h ASP 96 CO 0.61 0.66 -0.48 -0.69 -1.72 0.00 0.00 179.24 177.62 2iuy s VAL 97 N -2.87 -0.04 -0.27 -1.35 1.01 -1.12 -1.18 120.40 114.59 2iuy s VAL 97 Ca 0.00 0.14 -0.07 0.00 0.00 0.00 0.00 61.98 62.05 2iuy s VAL 97 Cb 0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 2iuy s VAL 97 CO 0.79 0.06 0.07 -0.69 0.00 0.00 0.00 175.10 175.32 2iuy s VAL 98 N 1.17 4.05 -0.38 2.92 1.01 0.03 -0.23 120.40 128.98 2iuy s VAL 98 Ca -0.09 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 2iuy s VAL 98 Cb -0.10 -3.00 0.10 0.00 0.00 0.00 0.00 36.38 33.38 2iuy s VAL 98 CO -0.08 0.21 0.14 -2.28 0.00 0.00 0.00 175.10 173.09 2iuy s HIS 99 N 1.54 3.54 -0.12 5.22 5.04 0.10 -1.08 115.29 129.54 2iuy s HIS 99 Ca 0.04 -2.36 -0.26 0.00 -1.54 0.00 0.00 55.06 50.94 2iuy s HIS 99 Cb -0.16 -2.94 -0.02 0.00 0.04 0.00 0.00 32.58 29.50 2iuy s HIS 99 CO 0.02 -0.93 0.86 0.34 -2.34 0.00 0.00 174.74 172.69 2iuy s ASP 100 N 1.58 7.07 0.00 9.88 2.15 0.56 -1.04 116.67 136.87 2iuy s ASP 100 Ca 0.06 1.30 0.07 0.00 0.43 0.00 0.00 52.55 54.40 2iuy s ASP 100 Cb -0.22 -2.48 0.08 0.00 -0.30 0.00 0.00 42.92 40.01 2iuy s ASP 100 CO -0.04 -0.34 0.81 1.41 -0.17 0.00 0.00 175.17 176.84 2iuy n HIS 101 N 4.78 0.06 1.39 -5.34 8.25 0.29 -0.53 115.22 124.13 2iuy n HIS 101 Ca 0.04 -0.11 0.14 0.00 -0.26 0.00 0.00 57.72 57.54 2iuy n HIS 101 Cb 0.49 -0.01 0.68 0.00 1.12 0.00 0.00 29.99 32.28 2iuy n HIS 101 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2iuy n SER 102 N 0.32 0.18 -0.51 0.41 3.41 -1.22 -4.36 113.62 111.86 2iuy n SER 102 Ca 0.05 -0.27 -0.05 0.00 -0.26 0.00 0.00 58.87 58.33 2iuy n SER 102 Cb 0.21 -0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 63.95 2iuy n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2iuy n GLY 103 N 1.30 0.36 0.88 5.00 0.00 -1.26 -4.12 105.19 107.36 2iuy n GLY 103 Ca 0.14 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2iuy n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iuy n GLY 104 N -1.46 0.96 0.31 -0.02 0.00 -1.26 -4.42 105.19 99.29 2iuy n GLY 104 Ca -0.06 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.64 2iuy n GLY 104 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2iuy h VAL 105 N 0.00 0.89 -2.02 1.61 2.07 -1.99 -3.43 116.25 113.38 2iuy h VAL 105 Ca 0.00 0.00 -0.58 0.00 0.82 0.00 0.00 66.70 66.94 2iuy h VAL 105 Cb 0.18 0.90 -0.13 0.00 -1.52 0.00 0.00 31.29 30.72 2iuy h VAL 105 CO 0.00 0.00 -0.60 0.27 0.02 0.00 0.00 177.57 177.26 2iuy s ILE 106 N -5.04 1.69 0.34 4.57 -5.25 -1.26 -4.97 121.20 111.28 2iuy s ILE 106 Ca -0.05 -2.00 -0.02 0.00 -0.99 0.00 0.00 60.65 57.59 2iuy s ILE 106 Cb 0.18 -2.90 -0.00 0.00 2.95 0.00 0.00 42.46 42.69 2iuy s ILE 106 CO 0.69 0.00 0.46 -0.83 -1.79 0.00 0.00 174.94 173.47 2iuy s GLY 107 N -3.64 1.52 0.57 6.27 0.00 -1.26 -4.99 107.32 105.78 2iuy s GLY 107 Ca 0.35 -1.54 0.36 0.00 0.00 0.00 0.00 44.72 43.88 2iuy s GLY 107 CO 0.17 -1.03 2.06 -0.56 0.00 0.00 0.00 173.10 173.75 2iuy h PRO 108 N 2.12 0.00 -6.64 2.90 0.13 -1.98 -3.46 132.00 125.08 2iuy h PRO 108 Ca -0.28 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.32 2iuy h PRO 108 Cb 1.24 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.41 2iuy h PRO 108 CO 0.39 0.00 0.75 0.00 -0.23 0.00 0.00 178.00 178.91 2iuy s ALA 109 N -3.77 3.62 0.00 -0.56 0.00 -1.26 -2.78 121.76 117.02 2iuy s ALA 109 Ca -0.00 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2iuy s ALA 109 Cb 0.10 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2iuy s ALA 109 CO 0.51 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 176.02 2iuy n GLY 110 N 2.98 1.32 3.76 0.00 0.00 -1.26 -5.04 105.19 106.96 2iuy n GLY 110 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2iuy n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2iuy s LEU 111 N 0.00 3.72 0.61 0.99 1.43 -1.12 -4.45 118.68 119.87 2iuy s LEU 111 Ca 0.00 2.29 -0.18 0.00 -1.03 0.00 0.00 54.13 55.21 2iuy s LEU 111 Cb 0.00 -4.58 -0.02 0.00 0.03 0.00 0.00 46.19 41.62 2iuy s LEU 111 CO 0.00 -1.39 1.16 -2.84 0.23 0.00 0.00 176.35 173.51 2iuy s PRO 112 N -3.28 2.92 0.35 1.29 0.02 -1.26 -4.91 135.00 130.12 2iuy s PRO 112 Ca 0.75 1.65 -0.28 0.00 0.02 0.00 0.00 61.00 63.14 2iuy s PRO 112 Cb -0.27 -1.94 -0.12 0.00 0.02 0.00 0.00 34.50 32.19 2iuy s PRO 112 CO 0.30 -1.21 1.38 -2.30 -0.33 0.00 0.00 177.00 174.85 2iuy n PRO 113 N -1.87 2.35 0.00 5.54 -0.02 -1.26 -1.83 135.00 137.91 2iuy n PRO 113 Ca 0.12 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2iuy n PRO 113 Cb 0.51 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2iuy n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2iuy n GLY 114 N 0.79 2.23 3.66 -1.23 0.00 -1.26 -5.04 105.19 104.33 2iuy n GLY 114 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2iuy n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2iuy s THR 115 N -2.63 4.87 0.35 2.61 2.01 -0.76 -4.91 115.64 117.19 2iuy s THR 115 Ca 0.00 1.62 -0.25 0.00 0.31 0.00 0.00 61.69 63.37 2iuy s THR 115 Cb 0.00 -4.13 -0.10 0.00 0.01 0.00 0.00 72.50 68.28 2iuy s THR 115 CO 0.00 -0.00 0.95 0.00 -0.69 0.00 0.00 174.62 174.88 2iuy s ALA 116 N 2.35 3.16 -0.14 7.40 0.00 -0.32 -4.92 121.76 129.29 2iuy s ALA 116 Ca 0.37 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.86 2iuy s ALA 116 Cb -0.16 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2iuy s ALA 116 CO 0.11 0.13 -0.18 0.12 0.00 0.00 0.00 175.76 175.94 2iuy s PHE 117 N -1.74 2.72 0.04 0.00 5.36 -1.26 -0.79 117.98 122.31 2iuy s PHE 117 Ca 0.53 -1.08 0.02 0.00 -0.96 0.00 0.00 56.93 55.44 2iuy s PHE 117 Cb -0.17 -1.84 -0.02 0.00 -0.34 0.00 0.00 43.02 40.65 2iuy s PHE 117 CO 0.22 -0.48 -0.08 -1.50 -1.46 0.00 0.00 175.22 171.92 2iuy s ILE 118 N 0.70 0.54 0.08 3.12 2.07 -0.24 -4.70 121.20 122.78 2iuy s ILE 118 Ca -0.08 -1.08 0.07 0.00 -1.41 0.00 0.00 60.65 58.15 2iuy s ILE 118 Cb -0.16 -0.61 -0.03 0.00 0.13 0.00 0.00 42.46 41.79 2iuy s ILE 118 CO 0.01 -0.38 -0.19 -0.44 -1.91 0.00 0.00 174.94 172.03 2iuy s SER 119 N -1.58 2.35 -0.28 4.50 0.01 -0.62 -0.33 113.70 117.75 2iuy s SER 119 Ca -0.10 -0.63 -0.08 0.00 1.31 0.00 0.00 55.95 56.45 2iuy s SER 119 Cb -0.10 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 65.98 2iuy s SER 119 CO 0.00 0.06 0.10 -0.44 0.41 0.00 0.00 173.24 173.37 2iuy s SER 120 N -1.70 5.26 -0.24 2.44 0.01 0.31 -1.15 113.70 118.63 2iuy s SER 120 Ca 0.05 -0.45 -0.29 0.00 1.31 0.00 0.00 55.95 56.57 2iuy s SER 120 Cb -0.10 -1.94 0.01 0.00 0.21 0.00 0.00 66.02 64.20 2iuy s SER 120 CO 0.03 -0.13 1.10 -2.28 0.41 0.00 0.00 173.24 172.38 2iuy s HIS 121 N 1.58 3.17 -0.18 2.43 2.46 -0.59 -4.49 115.29 119.67 2iuy s HIS 121 Ca 0.05 1.29 0.17 0.00 0.47 0.00 0.00 55.06 57.04 2iuy s HIS 121 Cb -0.16 -3.44 0.55 0.00 -0.13 0.00 0.00 32.58 29.40 2iuy s HIS 121 CO 0.04 -0.83 1.44 0.72 -2.47 0.00 0.00 174.74 173.64 2iuy n HIS 122 N 6.57 1.02 -4.28 3.88 8.25 -1.26 -4.19 115.22 125.22 2iuy n HIS 122 Ca 0.12 -0.87 -0.21 0.00 -0.26 0.00 0.00 57.72 56.50 2iuy n HIS 122 Cb 0.46 -0.33 -0.12 0.00 1.12 0.00 0.00 29.99 31.13 2iuy n HIS 122 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2iuy s PHE 123 N -2.83 1.63 -0.12 4.41 0.08 -1.26 -4.83 117.98 115.06 2iuy s PHE 123 Ca 0.43 -0.48 0.30 0.00 0.12 0.00 0.00 56.93 57.30 2iuy s PHE 123 Cb 0.35 -0.85 1.19 0.00 -0.57 0.00 0.00 43.02 43.13 2iuy s PHE 123 CO 0.09 0.22 1.88 0.00 -0.10 0.00 0.00 175.22 177.31 2iuy h THR 124 N 3.66 0.00 -3.84 0.64 1.03 -1.97 -3.45 112.91 108.98 2iuy h THR 124 Ca -0.42 -0.45 -0.49 0.00 -0.01 0.00 0.00 66.41 65.03 2iuy h THR 124 Cb 1.19 1.38 0.05 0.00 -1.07 0.00 0.00 68.15 69.70 2iuy h THR 124 CO 0.47 0.00 0.22 0.42 -0.01 0.00 0.00 175.52 176.62 2iuy s THR 125 N -3.53 4.26 0.20 0.00 -4.23 -1.26 -4.72 115.64 106.36 2iuy s THR 125 Ca 0.03 0.28 -0.30 0.00 -1.18 0.00 0.00 61.69 60.51 2iuy s THR 125 Cb 0.09 -3.67 -0.08 0.00 1.34 0.00 0.00 72.50 70.18 2iuy s THR 125 CO 0.51 -0.74 0.97 -0.13 -0.54 0.00 0.00 174.62 174.69 2iuy s ARG 126 N -4.98 4.77 0.46 3.99 0.52 -1.26 -4.86 118.95 117.58 2iuy s ARG 126 Ca 0.52 1.53 -0.24 0.00 -0.52 0.00 0.00 55.73 57.02 2iuy s ARG 126 Cb -0.11 -3.30 -0.07 0.00 0.52 0.00 0.00 34.95 31.99 2iuy s ARG 126 CO 0.47 0.36 1.33 -1.25 0.02 0.00 0.00 175.30 176.23 2iuy s PRO 127 N -0.78 3.67 0.23 3.54 0.04 -1.26 -4.95 135.00 135.49 2iuy s PRO 127 Ca 0.44 2.19 -0.06 0.00 0.04 0.00 0.00 61.00 63.60 2iuy s PRO 127 Cb -0.26 -2.56 0.34 0.00 0.04 0.00 0.00 34.50 32.06 2iuy s PRO 127 CO 0.32 -0.75 1.80 0.28 0.04 0.00 0.00 177.00 178.69 2iuy h VAL 128 N 2.10 0.89 -2.85 -0.36 2.07 -1.94 -3.35 116.25 112.82 2iuy h VAL 128 Ca -0.50 -0.24 -0.62 0.00 0.82 0.00 0.00 66.70 66.16 2iuy h VAL 128 Cb 1.26 0.14 -0.42 0.00 -1.52 0.00 0.00 31.29 30.76 2iuy h VAL 128 CO 0.61 0.13 -0.54 0.59 0.02 0.00 0.00 177.57 178.37 2iuy n ASN 129 N -4.80 3.34 0.28 0.57 5.03 -1.26 -4.95 115.26 113.47 2iuy n ASN 129 Ca 0.12 -3.28 0.14 0.00 0.87 0.00 0.00 54.58 52.42 2iuy n ASN 129 Cb 0.26 -0.75 0.84 0.00 -1.02 0.00 0.00 39.78 39.10 2iuy n ASN 129 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 2iuy h PRO 130 N 5.07 0.00 -6.26 3.52 0.13 -1.96 -3.37 132.00 129.13 2iuy h PRO 130 Ca 0.16 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.74 2iuy h PRO 130 Cb 0.73 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.82 2iuy h PRO 130 CO 0.77 0.03 0.51 0.08 -0.23 0.00 0.00 178.00 179.15 2iuy s VAL 131 N -4.59 4.81 -0.34 1.56 1.01 -1.26 -2.41 120.40 119.17 2iuy s VAL 131 Ca -0.05 2.01 0.00 0.00 0.00 0.00 0.00 61.98 63.94 2iuy s VAL 131 Cb 0.15 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2iuy s VAL 131 CO 0.57 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.32 2iuy n GLY 132 N 3.08 0.63 3.75 4.51 0.00 -0.84 -4.83 105.19 111.50 2iuy n GLY 132 Ca 0.08 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 2iuy n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iuy s THR 134 N -0.83 3.30 0.08 0.00 -4.23 -0.30 -4.33 115.64 109.34 2iuy s THR 134 Ca 0.40 -1.75 0.09 0.00 -1.18 0.00 0.00 61.69 59.25 2iuy s THR 134 Cb -0.24 -2.69 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 2iuy s THR 134 CO 0.29 -0.21 -0.23 -0.31 -0.54 0.00 0.00 174.62 173.62 2iuy s TYR 135 N -1.95 1.99 -0.80 3.99 2.02 -0.43 -1.55 117.35 120.63 2iuy s TYR 135 Ca 0.28 -0.40 0.27 0.00 -0.37 0.00 0.00 57.07 56.85 2iuy s TYR 135 Cb -0.08 -1.13 0.91 0.00 -0.40 0.00 0.00 41.96 41.26 2iuy s TYR 135 CO 0.17 0.19 1.81 -1.13 -1.57 0.00 0.00 175.55 175.02 2iuy n SER 136 N 1.39 0.62 -3.79 2.29 3.41 -1.26 -0.27 113.62 116.01 2iuy n SER 136 Ca -0.18 0.56 -0.10 0.00 -0.26 0.00 0.00 58.87 58.88 2iuy n SER 136 Cb 0.53 -0.72 -0.07 0.00 -0.26 0.00 0.00 64.21 63.69 2iuy n SER 136 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2iuy s SER 137 N -4.17 -0.02 0.22 4.04 1.04 -1.24 -3.71 113.70 109.86 2iuy s SER 137 Ca 0.11 -0.40 -0.09 0.00 0.48 0.00 0.00 55.95 56.06 2iuy s SER 137 Cb 0.14 0.35 0.24 0.00 0.10 0.00 0.00 66.02 66.85 2iuy s SER 137 CO 0.58 -0.67 1.84 0.03 0.98 0.00 0.00 173.24 176.00 2iuy h ARG 138 N 2.99 0.82 -0.46 4.02 3.08 -1.92 -1.22 114.38 121.70 2iuy h ARG 138 Ca -0.33 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.67 2iuy h ARG 138 Cb 1.20 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 2iuy h ARG 138 CO 0.50 0.54 0.29 0.00 -1.07 0.00 0.00 179.97 180.24 2iuy h ALA 139 N 1.34 0.58 0.23 0.04 0.00 -1.94 -1.33 119.26 118.18 2iuy h ALA 139 Ca 0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2iuy h ALA 139 Cb 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2iuy h ALA 139 CO -0.14 0.05 -0.11 0.37 0.00 0.00 0.00 179.25 179.42 2iuy h GLN 140 N 0.62 -0.29 -0.59 0.00 4.15 -1.81 -1.41 115.11 115.77 2iuy h GLN 140 Ca 0.17 0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.73 2iuy h GLN 140 Cb -0.04 0.07 -0.11 0.00 0.21 0.00 0.00 27.48 27.61 2iuy h GLN 140 CO -0.03 -0.10 -0.09 -0.09 -1.93 0.00 0.00 178.83 176.59 2iuy h ARG 141 N -0.43 0.04 -0.07 1.69 2.43 -1.02 0.19 114.38 117.21 2iuy h ARG 141 Ca -0.03 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2iuy h ARG 141 Cb 0.33 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2iuy h ARG 141 CO 0.05 0.03 -0.06 0.00 -1.51 0.00 0.00 179.97 178.48 2iuy h ALA 142 N 1.57 -0.00 -0.63 2.80 0.00 -1.15 0.19 119.26 122.04 2iuy h ALA 142 Ca 0.29 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2iuy h ALA 142 Cb 0.46 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2iuy h ALA 142 CO -0.56 -0.53 0.30 1.25 0.00 0.00 0.00 179.25 179.71 2iuy h HIS 143 N -0.07 0.87 -0.02 0.00 -0.00 -0.60 -2.48 115.15 112.85 2iuy h HIS 143 Ca 0.05 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 2iuy h HIS 143 Cb 0.14 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.28 2iuy h HIS 143 CO -0.16 0.64 0.00 0.00 -0.00 0.00 0.00 177.93 178.40 2iuy n GLY 145 N 1.12 0.64 3.77 0.00 0.00 -0.93 -4.58 105.19 105.20 2iuy n GLY 145 Ca 0.20 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 2iuy n GLY 145 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2iuy s GLY 146 N -2.96 2.98 0.87 -0.02 0.00 0.64 -5.02 107.32 103.80 2iuy s GLY 146 Ca 0.00 0.94 -0.12 0.00 0.00 0.00 0.00 44.72 45.54 2iuy s GLY 146 CO 0.00 1.51 1.13 -0.32 0.00 0.00 0.00 173.10 175.42 2iuy s GLY 147 N -0.96 1.59 0.57 0.20 0.00 -0.14 -4.61 107.32 103.97 2iuy s GLY 147 Ca 0.49 -0.43 0.35 0.00 0.00 0.00 0.00 44.72 45.12 2iuy s GLY 147 CO 0.41 0.08 2.06 -0.55 0.00 0.00 0.00 173.10 175.10 2iuy h ASP 148 N -1.35 0.00 0.11 1.64 3.32 -1.96 -2.03 116.42 116.16 2iuy h ASP 148 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2iuy h ASP 148 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2iuy h ASP 148 CO 0.61 0.03 -0.07 -0.67 -1.72 0.00 0.00 179.24 177.42 2iuy n ASP 149 N -3.16 1.00 -4.70 6.45 2.03 -1.26 -4.85 116.55 112.06 2iuy n ASP 149 Ca -0.00 -1.13 -0.42 0.00 0.52 0.00 0.00 54.79 53.76 2iuy n ASP 149 Cb 0.26 0.01 -0.03 0.00 -0.72 0.00 0.00 41.12 40.65 2iuy n ASP 149 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2iuy s ALA 150 N -2.19 3.47 0.47 -1.67 0.00 -0.76 -4.88 121.76 116.19 2iuy s ALA 150 Ca 0.35 0.73 -0.23 0.00 0.00 0.00 0.00 51.96 52.80 2iuy s ALA 150 Cb 0.21 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 2iuy s ALA 150 CO 0.40 -0.68 1.25 -2.14 0.00 0.00 0.00 175.76 174.59 2iuy s PRO 151 N 1.88 3.65 -0.24 0.00 0.02 -1.26 -4.86 135.00 134.18 2iuy s PRO 151 Ca 0.58 1.98 -0.04 0.00 0.02 0.00 0.00 61.00 63.54 2iuy s PRO 151 Cb -0.27 -2.45 -0.00 0.00 0.02 0.00 0.00 34.50 31.80 2iuy s PRO 151 CO 0.25 -0.70 -0.03 0.08 -0.33 0.00 0.00 177.00 176.27 2iuy s VAL 152 N -1.41 3.40 -0.16 3.83 1.01 -1.26 -1.31 120.40 124.50 2iuy s VAL 152 Ca 0.64 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 2iuy s VAL 152 Cb -0.34 -2.61 0.05 0.00 0.00 0.00 0.00 36.38 33.49 2iuy s VAL 152 CO 0.41 0.34 0.06 -0.63 0.00 0.00 0.00 175.10 175.28 2iuy s ILE 153 N 1.46 0.19 0.98 2.22 1.01 0.62 -4.95 121.20 122.73 2iuy s ILE 153 Ca 0.04 -0.22 -0.13 0.00 0.00 0.00 0.00 60.65 60.34 2iuy s ILE 153 Cb -0.15 -0.70 0.18 0.00 0.01 0.00 0.00 42.46 41.79 2iuy s ILE 153 CO -0.03 -0.15 1.13 -2.16 0.00 0.00 0.00 174.94 173.74 2iuy s PRO 154 N 2.02 0.57 0.16 2.79 0.04 -1.24 -4.04 135.00 135.29 2iuy s PRO 154 Ca 0.02 0.25 -0.32 0.00 0.04 0.00 0.00 61.00 60.99 2iuy s PRO 154 Cb -0.16 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 2iuy s PRO 154 CO -0.08 -2.58 1.55 0.42 0.04 0.00 0.00 177.00 176.36 2iuy s ILE 155 N -3.19 2.69 0.50 0.56 1.01 -1.26 -5.00 121.20 116.51 2iuy s ILE 155 Ca 0.66 0.49 -0.10 0.00 0.00 0.00 0.00 60.65 61.70 2iuy s ILE 155 Cb -0.15 -3.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 2iuy s ILE 155 CO 0.55 0.04 0.88 -2.16 0.00 0.00 0.00 174.94 174.24 2iuy s PRO 156 N 1.17 3.68 -0.01 2.79 0.04 -1.26 -4.77 135.00 136.63 2iuy s PRO 156 Ca 0.70 0.53 0.00 0.00 0.04 0.00 0.00 61.00 62.26 2iuy s PRO 156 Cb -0.43 -2.26 0.02 0.00 0.04 0.00 0.00 34.50 31.87 2iuy s PRO 156 CO 0.31 -0.27 0.02 0.54 0.04 0.00 0.00 177.00 177.64 2iuy s VAL 157 N -2.75 -0.04 -0.41 -0.36 0.11 -0.39 -4.77 120.40 111.79 2iuy s VAL 157 Ca 0.52 0.15 -0.17 0.00 -2.93 0.00 0.00 61.98 59.55 2iuy s VAL 157 Cb -0.10 -0.06 0.02 0.00 -1.53 0.00 0.00 36.38 34.70 2iuy s VAL 157 CO 0.42 0.06 0.41 -0.62 -3.33 0.00 0.00 175.10 172.04 2iuy s ASP 158 N 0.74 6.18 0.52 3.54 2.15 -1.26 -0.38 116.67 128.16 2iuy s ASP 158 Ca -0.06 -0.66 0.26 0.00 0.43 0.00 0.00 52.55 52.51 2iuy s ASP 158 Cb -0.09 -2.21 1.39 0.00 -0.30 0.00 0.00 42.92 41.71 2iuy s ASP 158 CO -0.02 -0.54 1.97 -0.65 -0.17 0.00 0.00 175.17 175.77 2iuy h PRO 159 N 8.69 0.03 0.00 4.34 0.11 -1.94 0.92 132.00 144.15 2iuy h PRO 159 Ca -0.27 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 2iuy h PRO 159 Cb 1.12 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2iuy h PRO 159 CO 0.78 0.02 -0.02 0.00 -0.21 0.00 0.00 178.00 178.57 2iuy h ALA 160 N 1.70 1.43 -0.00 -0.75 0.00 -1.98 -0.42 119.26 119.24 2iuy h ALA 160 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2iuy h ALA 160 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2iuy h ALA 160 CO -0.01 0.02 -0.15 0.54 0.00 0.00 0.00 179.25 179.64 2iuy n ARG 161 N -3.73 0.14 -4.55 0.00 1.74 0.32 -4.90 116.66 105.69 2iuy n ARG 161 Ca -0.03 -0.04 -0.26 0.00 -0.77 0.00 0.00 57.85 56.75 2iuy n ARG 161 Cb 0.10 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.94 2iuy n ARG 161 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2iuy s TYR 162 N -2.88 2.44 0.34 -1.55 2.02 -0.17 -5.03 117.35 112.50 2iuy s TYR 162 Ca 0.17 -0.53 -0.28 0.00 -0.37 0.00 0.00 57.07 56.05 2iuy s TYR 162 Cb 0.19 -1.47 -0.10 0.00 -0.40 0.00 0.00 41.96 40.18 2iuy s TYR 162 CO 0.56 0.55 1.26 1.03 -1.57 0.00 0.00 175.55 177.38 2iuy s ARG 163 N -3.64 4.34 0.42 -0.62 1.81 -1.26 -4.97 118.95 115.04 2iuy s ARG 163 Ca 0.33 2.11 0.08 0.00 -1.72 0.00 0.00 55.73 56.53 2iuy s ARG 163 Cb 0.04 -3.03 -0.02 0.00 -0.45 0.00 0.00 34.95 31.49 2iuy s ARG 163 CO 0.17 -0.16 0.41 -1.54 -0.68 0.00 0.00 175.30 173.50 2iuy s SER 164 N -0.63 5.15 0.28 0.23 1.04 -1.26 -4.41 113.70 114.11 2iuy s SER 164 Ca 0.49 -0.69 -0.02 0.00 0.48 0.00 0.00 55.95 56.22 2iuy s SER 164 Cb -0.38 -0.59 0.44 0.00 0.10 0.00 0.00 66.02 65.60 2iuy s SER 164 CO 0.49 -0.67 1.91 0.00 0.98 0.00 0.00 173.24 175.96 2iuy h ALA 165 N 0.97 1.43 0.00 5.32 0.00 -1.94 -2.63 119.26 122.41 2iuy h ALA 165 Ca -0.41 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 2iuy h ALA 165 Cb 1.27 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2iuy h ALA 165 CO 0.55 0.45 -0.28 0.00 0.00 0.00 0.00 179.25 179.98 2iuy h ALA 166 N 1.47 1.49 0.00 0.00 0.00 -2.02 -2.17 119.26 118.03 2iuy h ALA 166 Ca 0.39 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2iuy h ALA 166 Cb 0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2iuy h ALA 166 CO -0.13 0.35 -0.00 -0.44 0.00 0.00 0.00 179.25 179.02 2iuy h ASP 167 N 0.00 0.00 -6.39 0.00 3.32 -1.86 -3.46 116.42 108.03 2iuy h ASP 167 Ca -0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 2iuy h ASP 167 Cb 0.51 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.00 2iuy h ASP 167 CO 0.04 0.00 -0.81 0.00 -1.72 0.00 0.00 179.24 176.75 2iuy n GLN 168 N -3.44 -4.52 -1.72 3.56 6.02 -0.82 -4.89 117.38 111.58 2iuy n GLN 168 Ca -0.03 0.52 -0.42 0.00 -0.01 0.00 0.00 57.00 57.06 2iuy n GLN 168 Cb 0.08 -5.17 -0.03 0.00 1.02 0.00 0.00 30.24 26.14 2iuy n GLN 168 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2iuy s VAL 169 N -3.49 2.85 0.16 5.09 1.01 -1.26 -4.95 120.40 119.80 2iuy s VAL 169 Ca 0.43 0.09 -0.31 0.00 0.00 0.00 0.00 61.98 62.20 2iuy s VAL 169 Cb -0.22 -3.06 -0.08 0.00 0.00 0.00 0.00 36.38 33.01 2iuy s VAL 169 CO 0.86 -0.00 1.37 0.00 0.00 0.00 0.00 175.10 177.32 2iuy s ALA 170 N 3.64 3.57 0.20 5.51 0.00 -1.26 -4.85 121.76 128.57 2iuy s ALA 170 Ca 0.84 1.13 -0.30 0.00 0.00 0.00 0.00 51.96 53.63 2iuy s ALA 170 Cb -0.43 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.08 2iuy s ALA 170 CO 0.38 -0.60 1.30 0.15 0.00 0.00 0.00 175.76 177.00 2iuy s LYS 171 N 0.54 4.39 0.55 0.00 -0.14 -1.26 -4.62 119.74 119.21 2iuy s LYS 171 Ca 0.61 2.04 0.08 0.00 -1.36 0.00 0.00 55.97 57.34 2iuy s LYS 171 Cb -0.37 -3.20 0.06 0.00 -1.68 0.00 0.00 37.83 32.64 2iuy s LYS 171 CO 0.34 -0.24 0.59 -1.21 -0.76 0.00 0.00 175.35 174.07 2iuy s GLU 172 N -0.11 2.31 0.00 1.68 0.41 0.11 -5.03 118.70 118.06 2iuy s GLU 172 Ca 0.56 -1.80 0.23 0.00 -0.41 0.00 0.00 54.97 53.56 2iuy s GLU 172 Cb -0.36 -2.39 0.11 0.00 -1.78 0.00 0.00 34.13 29.71 2iuy s GLU 172 CO 0.38 -0.71 1.14 -0.25 -0.49 0.00 0.00 175.26 175.34 2iuy n ASP 173 N -1.99 1.22 -4.78 -0.19 8.00 -1.26 -3.36 116.55 114.19 2iuy n ASP 173 Ca 0.07 -1.00 -0.36 0.00 0.71 0.00 0.00 54.79 54.20 2iuy n ASP 173 Cb 0.63 0.59 -0.05 0.00 -0.02 0.00 0.00 41.12 42.26 2iuy n ASP 173 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2iuy s PHE 174 N -2.77 3.41 0.55 1.24 -0.12 -1.26 -4.65 117.98 114.38 2iuy s PHE 174 Ca 0.14 1.69 -0.06 0.00 -0.05 0.00 0.00 56.93 58.65 2iuy s PHE 174 Cb 0.17 -3.05 -0.01 0.00 -0.63 0.00 0.00 43.02 39.51 2iuy s PHE 174 CO 0.70 -0.32 0.86 -0.51 -0.05 0.00 0.00 175.22 175.90 2iuy s LEU 175 N -2.46 3.39 -0.04 -1.99 1.43 0.60 -0.60 118.68 119.01 2iuy s LEU 175 Ca 0.55 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.46 2iuy s LEU 175 Cb -0.20 -3.70 0.03 0.00 0.03 0.00 0.00 46.19 42.35 2iuy s LEU 175 CO 0.26 -0.87 -0.00 -0.22 0.23 0.00 0.00 176.35 175.75 2iuy s LEU 176 N -4.90 1.02 0.52 1.79 2.96 -0.43 -1.89 118.68 117.76 2iuy s LEU 176 Ca 0.51 -0.04 0.04 0.00 -0.22 0.00 0.00 54.13 54.42 2iuy s LEU 176 Cb -0.10 -0.28 0.01 0.00 0.50 0.00 0.00 46.19 46.32 2iuy s LEU 176 CO 0.45 -0.12 0.27 0.12 -1.32 0.00 0.00 176.35 175.75 2iuy s PHE 177 N 1.24 1.81 0.00 5.38 5.36 0.40 -1.21 117.98 130.96 2iuy s PHE 177 Ca -0.07 -0.84 0.00 0.00 -0.96 0.00 0.00 56.93 55.06 2iuy s PHE 177 Cb -0.13 -1.84 0.00 0.00 -0.34 0.00 0.00 43.02 40.71 2iuy s PHE 177 CO -0.02 -0.20 0.00 0.41 -1.46 0.00 0.00 175.22 173.95 2iuy n GLY 179 N -1.57 -1.97 3.73 13.12 0.00 -0.96 -0.62 105.19 116.92 2iuy n GLY 179 Ca -0.07 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 2iuy n GLY 179 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2iuy s ARG 180 N 0.00 4.38 -1.12 1.61 0.52 -1.26 -3.85 118.95 119.24 2iuy s ARG 180 Ca 0.00 2.04 -0.20 0.00 -0.52 0.00 0.00 55.73 57.04 2iuy s ARG 180 Cb 0.00 -3.21 0.07 0.00 0.52 0.00 0.00 34.95 32.33 2iuy s ARG 180 CO 0.00 -0.27 1.52 0.08 0.02 0.00 0.00 175.30 176.65 2iuy s VAL 181 N 0.29 4.12 0.03 3.52 1.01 -0.16 -4.77 120.40 124.44 2iuy s VAL 181 Ca 0.58 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2iuy s VAL 181 Cb -0.36 -5.08 -0.02 0.00 0.00 0.00 0.00 36.38 30.92 2iuy s VAL 181 CO 0.37 -1.92 -0.04 -0.44 0.00 0.00 0.00 175.10 173.07 2iuy s SER 182 N 4.49 0.43 0.22 3.32 0.01 -1.26 -4.43 113.70 116.47 2iuy s SER 182 Ca 0.47 -0.56 -0.09 0.00 1.31 0.00 0.00 55.95 57.08 2iuy s SER 182 Cb 0.01 0.09 0.23 0.00 0.21 0.00 0.00 66.02 66.56 2iuy s SER 182 CO -0.03 -0.31 1.84 -0.65 0.41 0.00 0.00 173.24 174.50 2iuy h PRO 183 N 4.45 0.82 0.00 12.44 0.11 -1.99 -2.02 132.00 145.81 2iuy h PRO 183 Ca -0.33 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2iuy h PRO 183 Cb 1.20 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2iuy h PRO 183 CO 0.43 0.54 0.00 1.12 -0.21 0.00 0.00 178.00 179.89 2iuy h HIS 184 N 0.85 0.00 0.00 0.65 2.07 -1.92 -1.94 115.15 114.85 2iuy h HIS 184 Ca 0.31 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.83 2iuy h HIS 184 Cb 0.09 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.07 2iuy h HIS 184 CO -0.05 0.00 -0.49 1.63 -3.07 0.00 0.00 177.93 175.96 2iuy n LYS 185 N -2.58 0.13 -2.29 5.12 4.76 -0.77 -0.36 118.16 122.17 2iuy n LYS 185 Ca 0.01 0.04 -0.04 0.00 -2.87 0.00 0.00 58.31 55.45 2iuy n LYS 185 Cb 0.21 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 2iuy n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2iuy n GLY 186 N 1.43 0.36 0.32 0.72 0.00 -0.73 -3.13 105.19 104.15 2iuy n GLY 186 Ca 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2iuy n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iuy h ALA 187 N 0.19 1.15 -0.20 4.61 0.00 -1.81 -0.45 119.26 122.76 2iuy h ALA 187 Ca -0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2iuy h ALA 187 Cb 1.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2iuy h ALA 187 CO 0.11 0.27 0.03 1.25 0.00 0.00 0.00 179.25 180.90 2iuy h LEU 188 N 0.95 0.32 -1.23 0.00 5.85 -1.91 -0.39 115.31 118.89 2iuy h LEU 188 Ca 0.37 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 2iuy h LEU 188 Cb 0.16 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2iuy h LEU 188 CO -0.17 0.50 0.13 -0.33 -0.34 0.00 0.00 178.44 178.23 2iuy h GLU 189 N 0.11 0.66 -0.68 1.25 3.07 -1.81 -0.92 114.58 116.25 2iuy h GLU 189 Ca 0.06 -0.11 -0.07 0.00 -0.50 0.00 0.00 59.36 58.74 2iuy h GLU 189 Cb 0.33 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 2iuy h GLU 189 CO 0.00 0.59 0.15 0.00 -1.40 0.00 0.00 179.01 178.35 2iuy h ALA 190 N 1.50 0.98 -0.42 3.43 0.00 -0.88 -0.62 119.26 123.24 2iuy h ALA 190 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2iuy h ALA 190 Cb 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2iuy h ALA 190 CO -0.01 0.66 0.27 0.00 0.00 0.00 0.00 179.25 180.17 2iuy h ALA 191 N 1.12 0.54 -0.78 0.00 0.00 -0.29 -1.12 119.26 118.73 2iuy h ALA 191 Ca 0.21 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2iuy h ALA 191 Cb 0.38 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2iuy h ALA 191 CO 0.00 0.01 0.50 0.00 0.00 0.00 0.00 179.25 179.77 2iuy h ALA 192 N 1.13 1.01 -0.23 0.00 0.00 -0.99 0.26 119.26 120.45 2iuy h ALA 192 Ca 0.15 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2iuy h ALA 192 Cb -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2iuy h ALA 192 CO -0.03 0.33 -0.15 0.35 0.00 0.00 0.00 179.25 179.75 2iuy h PHE 193 N 0.99 0.58 0.21 0.00 3.57 -0.80 -0.64 116.94 120.85 2iuy h PHE 193 Ca 0.30 -0.16 0.01 0.00 3.53 0.00 0.00 57.97 61.65 2iuy h PHE 193 Cb -0.03 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 2iuy h PHE 193 CO -0.03 0.80 -0.24 0.00 -2.23 0.00 0.00 178.31 176.61 2iuy h ALA 194 N 0.69 -0.47 -0.78 2.41 0.00 -0.98 -2.09 119.26 118.04 2iuy h ALA 194 Ca 0.05 -0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.05 2iuy h ALA 194 Cb 0.67 0.35 -0.14 0.00 0.00 0.00 0.00 17.79 18.66 2iuy h ALA 194 CO 0.04 -0.80 -0.12 1.25 0.00 0.00 0.00 179.25 179.62 2iuy h HIS 195 N -0.50 -0.29 -0.87 0.00 -0.00 -0.41 0.05 115.15 113.13 2iuy h HIS 195 Ca 0.00 0.07 0.17 0.00 -0.00 0.00 0.00 60.37 60.61 2iuy h HIS 195 Cb 0.47 0.25 -0.07 0.00 -0.00 0.00 0.00 27.41 28.06 2iuy h HIS 195 CO -0.18 -0.31 0.57 0.00 -0.00 0.00 0.00 177.93 178.01 2iuy h ALA 196 N 1.76 2.05 0.00 5.26 0.00 -0.66 -2.19 119.26 125.48 2iuy h ALA 196 Ca 0.39 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2iuy h ALA 196 Cb 0.65 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2iuy h ALA 196 CO -0.76 -0.31 -0.55 0.00 0.00 0.00 0.00 179.25 177.63 2iuy n GLY 198 N 1.46 0.40 3.68 0.00 0.00 -0.78 -4.90 105.19 105.04 2iuy n GLY 198 Ca 0.05 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 2iuy n GLY 198 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2iuy s ARG 199 N -3.42 2.41 0.39 1.61 0.52 -0.60 -5.02 118.95 114.84 2iuy s ARG 199 Ca 0.00 -1.36 -0.24 0.00 -0.52 0.00 0.00 55.73 53.61 2iuy s ARG 199 Cb 0.00 -2.23 -0.10 0.00 0.52 0.00 0.00 34.95 33.14 2iuy s ARG 199 CO 0.00 0.36 1.00 1.03 0.02 0.00 0.00 175.30 177.71 2iuy s ARG 200 N -3.71 4.27 -0.23 3.54 1.81 -1.26 -4.16 118.95 119.21 2iuy s ARG 200 Ca 0.32 1.37 0.01 0.00 -1.72 0.00 0.00 55.73 55.72 2iuy s ARG 200 Cb -0.07 -2.51 0.05 0.00 -0.45 0.00 0.00 34.95 31.98 2iuy s ARG 200 CO 0.21 -0.02 -0.09 -1.17 -0.68 0.00 0.00 175.30 173.55 2iuy s LEU 201 N -2.64 2.72 -0.10 2.53 2.96 -0.53 -0.29 118.68 123.34 2iuy s LEU 201 Ca 0.57 -1.14 -0.30 0.00 -0.22 0.00 0.00 54.13 53.05 2iuy s LEU 201 Cb -0.18 -1.31 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 2iuy s LEU 201 CO 0.23 -0.19 1.26 -0.69 -1.32 0.00 0.00 176.35 175.64 2iuy s VAL 202 N 1.31 4.20 -0.65 1.68 1.01 -0.79 0.48 120.40 127.63 2iuy s VAL 202 Ca -0.05 1.49 -0.14 0.00 0.00 0.00 0.00 61.98 63.28 2iuy s VAL 202 Cb -0.18 -3.96 0.17 0.00 0.00 0.00 0.00 36.38 32.40 2iuy s VAL 202 CO -0.07 -0.06 0.59 -0.76 0.00 0.00 0.00 175.10 174.80 2iuy s LEU 203 N 2.83 6.33 -0.53 3.92 1.43 -0.16 -0.45 118.68 132.05 2iuy s LEU 203 Ca 0.57 -2.20 -0.10 0.00 -1.03 0.00 0.00 54.13 51.36 2iuy s LEU 203 Cb -0.24 -2.18 0.14 0.00 0.03 0.00 0.00 46.19 43.94 2iuy s LEU 203 CO 0.19 -0.71 0.42 0.00 0.23 0.00 0.00 176.35 176.49 2iuy s ALA 204 N 0.94 3.52 0.00 4.21 0.00 0.20 -1.29 121.76 129.35 2iuy s ALA 204 Ca 0.10 -2.69 0.00 0.00 0.00 0.00 0.00 51.96 49.36 2iuy s ALA 204 Cb -0.21 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2iuy s ALA 204 CO -0.02 -1.98 0.00 0.41 0.00 0.00 0.00 175.76 174.16 2iuy n GLY 205 N 4.72 0.12 3.70 0.00 0.00 -0.72 -2.27 105.19 110.74 2iuy n GLY 205 Ca -0.05 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 2iuy n GLY 205 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2iuy s PRO 206 N -2.00 4.27 -0.78 1.61 0.04 -1.25 -3.03 135.00 133.85 2iuy s PRO 206 Ca 0.00 2.15 0.01 0.00 0.04 0.00 0.00 61.00 63.20 2iuy s PRO 206 Cb 0.00 -3.40 0.19 0.00 0.04 0.00 0.00 34.50 31.33 2iuy s PRO 206 CO 0.00 -0.57 0.62 0.00 0.04 0.00 0.00 177.00 177.09 2iuy s ALA 207 N 1.81 3.99 -1.57 8.56 0.00 -1.26 -0.99 121.76 132.29 2iuy s ALA 207 Ca 0.67 -3.77 0.23 0.00 0.00 0.00 0.00 51.96 49.10 2iuy s ALA 207 Cb -0.37 -2.54 0.07 0.00 0.00 0.00 0.00 23.12 20.27 2iuy s ALA 207 CO 0.30 -2.12 1.12 0.91 0.00 0.00 0.00 175.76 175.97 2iuy n TRP 208 N 2.33 0.00 -3.42 0.00 8.01 -1.26 -4.77 117.44 118.32 2iuy n TRP 208 Ca 0.19 0.00 -0.44 0.00 -1.31 0.00 0.00 57.50 55.94 2iuy n TRP 208 Cb 0.36 -0.04 -0.05 0.00 -2.01 0.00 0.00 31.31 29.57 2iuy n TRP 208 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.69 175.47 2iuy s GLU 209 N -2.70 3.03 0.15 -0.99 2.02 -1.26 -4.97 118.70 113.98 2iuy s GLU 209 Ca 0.15 -2.07 -0.12 0.00 0.02 0.00 0.00 54.97 52.95 2iuy s GLU 209 Cb 0.18 -4.19 0.00 0.00 0.10 0.00 0.00 34.13 30.22 2iuy s GLU 209 CO 0.67 -1.27 1.57 -1.35 0.02 0.00 0.00 175.26 174.90 2iuy h PRO 210 N 8.20 0.90 -0.41 0.39 0.11 -1.95 -0.09 132.00 139.14 2iuy h PRO 210 Ca -0.11 -0.33 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 2iuy h PRO 210 Cb 1.06 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 2iuy h PRO 210 CO 0.86 0.98 0.08 0.93 -0.21 0.00 0.00 178.00 180.64 2iuy h GLU 211 N 0.75 0.68 0.51 1.05 3.07 -1.98 0.20 114.58 118.86 2iuy h GLU 211 Ca 0.12 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 58.79 2iuy h GLU 211 Cb 0.64 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.46 2iuy h GLU 211 CO 0.04 0.71 -0.30 -0.92 -1.40 0.00 0.00 179.01 177.14 2iuy h TYR 212 N 0.54 -0.80 -0.67 4.33 3.20 -1.91 -1.21 116.97 120.45 2iuy h TYR 212 Ca 0.13 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.12 2iuy h TYR 212 Cb 0.36 0.28 -0.10 0.00 1.54 0.00 0.00 36.73 38.81 2iuy h TYR 212 CO 0.02 -0.47 0.13 0.35 -1.64 0.00 0.00 178.16 176.55 2iuy h PHE 213 N -0.77 0.19 -0.55 -3.82 3.57 -0.93 -1.86 116.94 112.77 2iuy h PHE 213 Ca -0.06 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2iuy h PHE 213 Cb 0.63 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 2iuy h PHE 213 CO -0.09 -0.08 0.31 -0.44 -2.23 0.00 0.00 178.31 175.78 2iuy h ASP 214 N 0.24 0.66 -0.43 0.41 3.32 -0.44 -1.79 116.42 118.38 2iuy h ASP 214 Ca 0.36 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.28 2iuy h ASP 214 Cb 0.59 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 2iuy h ASP 214 CO -0.48 0.53 -0.08 -0.08 -1.72 0.00 0.00 179.24 177.41 2iuy h GLU 215 N 0.76 0.82 -0.73 3.56 4.81 -0.43 -0.55 114.58 122.82 2iuy h GLU 215 Ca 0.20 -0.31 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 2iuy h GLU 215 Cb 0.01 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 2iuy h GLU 215 CO -0.03 0.93 0.35 0.82 -0.73 0.00 0.00 179.01 180.34 2iuy h ILE 216 N 0.65 1.24 -0.19 2.32 2.04 -1.11 -0.20 117.51 122.27 2iuy h ILE 216 Ca 0.11 -0.68 -0.20 0.00 1.00 0.00 0.00 64.86 65.09 2iuy h ILE 216 Cb 0.61 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2iuy h ILE 216 CO 0.04 0.28 -0.68 0.71 0.00 0.00 0.00 178.15 178.51 2iuy h THR 217 N 1.03 1.29 0.00 -0.27 1.35 -1.18 0.14 112.91 115.28 2iuy h THR 217 Ca 0.25 -1.90 0.02 0.00 -0.55 0.00 0.00 66.41 64.24 2iuy h THR 217 Cb 0.13 1.86 -0.03 0.00 -1.73 0.00 0.00 68.15 68.38 2iuy h THR 217 CO -0.03 0.60 -0.15 -0.09 -0.25 0.00 0.00 175.52 175.61 2iuy h ARG 218 N 0.54 -0.24 0.12 4.72 2.43 -1.02 0.13 114.38 121.06 2iuy h ARG 218 Ca -0.02 0.02 -0.28 0.00 -0.81 0.00 0.00 59.98 58.89 2iuy h ARG 218 Cb 1.28 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 2iuy h ARG 218 CO 0.14 -0.16 -1.29 0.00 -1.51 0.00 0.00 179.97 177.15 2iuy h ARG 219 N -0.24 0.26 0.00 0.20 3.08 -0.97 -3.39 114.38 113.32 2iuy h ARG 219 Ca 0.05 -0.45 -0.12 0.00 0.07 0.00 0.00 59.98 59.54 2iuy h ARG 219 Cb 0.31 0.17 -0.26 0.00 0.08 0.00 0.00 29.97 30.27 2iuy h ARG 219 CO -0.14 1.19 -0.84 0.66 -1.07 0.00 0.00 179.97 179.77 2iuy n TYR 220 N -3.51 0.00 -0.28 3.04 4.01 0.49 -4.93 117.16 115.97 2iuy n TYR 220 Ca -0.10 -0.72 0.10 0.00 -0.16 0.00 0.00 57.90 57.02 2iuy n TYR 220 Cb 1.03 -0.17 0.25 0.00 -0.31 0.00 0.00 39.34 40.14 2iuy n TYR 220 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2iuy h GLY 221 N 0.90 1.30 2.00 2.72 0.00 -0.72 0.09 103.07 109.36 2iuy h GLY 221 Ca -0.15 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2iuy h GLY 221 CO 0.07 -0.22 0.00 1.48 0.00 0.00 0.00 176.54 177.86 2iuy h SER 222 N 0.36 0.00 0.05 0.19 4.64 -1.92 -3.05 113.55 113.81 2iuy h SER 222 Ca 0.49 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.55 2iuy h SER 222 Cb 0.88 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 2iuy h SER 222 CO -0.51 0.00 -1.41 0.74 -0.87 0.00 0.00 176.83 174.77 2iuy h THR 223 N 0.00 0.89 -3.41 2.95 2.02 -1.35 -3.48 112.91 110.54 2iuy h THR 223 Ca 0.00 -2.25 -0.55 0.00 0.77 0.00 0.00 66.41 64.38 2iuy h THR 223 Cb 0.54 2.40 -0.04 0.00 -1.74 0.00 0.00 68.15 69.32 2iuy h THR 223 CO 0.00 0.52 0.07 0.68 0.37 0.00 0.00 175.52 177.16 2iuy s VAL 224 N -2.42 4.57 -0.36 3.16 -7.23 -0.51 -1.45 120.40 116.15 2iuy s VAL 224 Ca -0.26 1.40 0.03 0.00 -1.81 0.00 0.00 61.98 61.35 2iuy s VAL 224 Cb 0.06 -3.98 0.11 0.00 0.56 0.00 0.00 36.38 33.12 2iuy s VAL 224 CO 0.66 0.47 0.10 -1.61 -0.31 0.00 0.00 175.10 174.41 2iuy s GLU 225 N -1.31 1.35 -0.15 4.82 2.02 0.18 -4.89 118.70 120.72 2iuy s GLU 225 Ca 0.34 -1.79 -0.28 0.00 0.02 0.00 0.00 54.97 53.26 2iuy s GLU 225 Cb -0.20 -2.89 -0.01 0.00 0.10 0.00 0.00 34.13 31.13 2iuy s GLU 225 CO 0.22 -0.98 0.97 -2.14 0.02 0.00 0.00 175.26 173.35 2iuy s PRO 226 N 0.89 4.35 0.00 0.39 0.02 -1.26 -0.99 135.00 138.40 2iuy s PRO 226 Ca 0.12 1.29 0.05 0.00 0.02 0.00 0.00 61.00 62.48 2iuy s PRO 226 Cb -0.20 -3.57 -0.02 0.00 0.02 0.00 0.00 34.50 30.73 2iuy s PRO 226 CO -0.10 -0.40 0.38 0.44 -0.33 0.00 0.00 177.00 176.99 2iuy n ILE 227 N 4.79 0.00 -3.56 2.83 -5.35 -0.41 -4.93 119.36 112.72 2iuy n ILE 227 Ca 0.08 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 2iuy n ILE 227 Cb 0.48 1.04 -0.00 0.00 -1.74 0.00 0.00 39.64 39.42 2iuy n ILE 227 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2iuy n GLY 228 N 0.82 -2.11 3.71 3.28 0.00 -1.23 -4.88 105.19 104.77 2iuy n GLY 228 Ca 0.02 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 2iuy n GLY 228 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2iuy n GLU 229 N -0.14 2.36 -4.55 1.61 2.13 -1.17 -1.76 120.64 119.12 2iuy n GLU 229 Ca 0.00 0.84 -0.26 0.00 0.66 0.00 0.00 57.16 58.40 2iuy n GLU 229 Cb 0.00 -2.55 -0.11 0.00 0.27 0.00 0.00 31.44 29.06 2iuy n GLU 229 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2iuy s VAL 230 N -0.12 2.01 0.02 6.31 -7.23 -1.26 -4.83 120.40 115.29 2iuy s VAL 230 Ca 0.65 -2.11 -0.26 0.00 -1.81 0.00 0.00 61.98 58.45 2iuy s VAL 230 Cb -0.57 -2.75 0.09 0.00 0.56 0.00 0.00 36.38 33.70 2iuy s VAL 230 CO 0.50 -0.13 1.21 0.61 -0.31 0.00 0.00 175.10 176.97 2iuy n GLY 231 N -0.82 0.30 7.00 2.32 0.00 -1.26 -4.07 105.19 108.66 2iuy n GLY 231 Ca -0.05 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2iuy n GLY 231 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iuy n GLY 232 N -0.86 3.08 0.17 -0.02 0.00 -1.25 -2.79 105.19 103.52 2iuy n GLY 232 Ca 0.03 -0.29 -0.05 0.00 0.00 0.00 0.00 46.02 45.71 2iuy n GLY 232 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2iuy h GLU 233 N 0.00 0.26 -0.38 1.61 4.39 -2.01 -3.22 114.58 115.22 2iuy h GLU 233 Ca 0.00 -0.17 -0.07 0.00 0.34 0.00 0.00 59.36 59.46 2iuy h GLU 233 Cb 0.00 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2iuy h GLU 233 CO 0.00 0.77 -0.04 -0.09 -1.16 0.00 0.00 179.01 178.49 2iuy h ARG 234 N 0.19 0.71 -0.75 2.33 2.43 -1.98 -2.62 114.38 114.69 2iuy h ARG 234 Ca -0.00 -0.25 0.17 0.00 -0.81 0.00 0.00 59.98 59.09 2iuy h ARG 234 Cb 1.09 -0.05 -0.13 0.00 -0.42 0.00 0.00 29.97 30.46 2iuy h ARG 234 CO 0.09 0.83 0.01 -0.09 -1.51 0.00 0.00 179.97 179.30 2iuy h ARG 235 N 0.52 0.11 -0.26 0.20 2.43 -1.53 -0.05 114.38 115.80 2iuy h ARG 235 Ca 0.10 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 2iuy h ARG 235 Cb 0.54 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 2iuy h ARG 235 CO 0.03 0.07 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.49 2iuy h LEU 236 N 0.11 0.45 -0.59 3.80 3.38 -1.56 -1.83 115.31 119.06 2iuy h LEU 236 Ca 0.41 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2iuy h LEU 236 Cb 0.72 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2iuy h LEU 236 CO -0.65 0.65 0.30 0.44 0.09 0.00 0.00 178.44 179.27 2iuy h ASP 237 N 0.23 0.75 -0.42 -0.43 3.32 -1.07 -2.43 116.42 116.38 2iuy h ASP 237 Ca 0.07 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.03 2iuy h ASP 237 Cb 0.42 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 2iuy h ASP 237 CO 0.01 0.65 0.24 -0.07 -1.72 0.00 0.00 179.24 178.35 2iuy h LEU 238 N 0.80 0.39 -0.74 1.55 3.38 -0.95 0.22 115.31 119.96 2iuy h LEU 238 Ca 0.20 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.27 2iuy h LEU 238 Cb 0.08 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 2iuy h LEU 238 CO -0.03 0.28 0.39 -0.07 0.09 0.00 0.00 178.44 179.10 2iuy h LEU 239 N 0.49 0.53 0.15 1.67 -0.00 -1.20 -1.78 115.31 115.18 2iuy h LEU 239 Ca 0.17 0.05 -0.31 0.00 -0.00 0.00 0.00 57.88 57.79 2iuy h LEU 239 Cb 0.02 -0.04 0.03 0.00 -0.00 0.00 0.00 40.66 40.67 2iuy h LEU 239 CO -0.08 0.31 -1.32 0.00 -0.00 0.00 0.00 178.44 177.35 2iuy h ALA 240 N 1.43 -0.04 0.00 1.53 0.00 -1.09 -3.35 119.26 117.74 2iuy h ALA 240 Ca 0.36 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2iuy h ALA 240 Cb 0.36 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2iuy h ALA 240 CO -0.26 0.72 -0.36 0.66 0.00 0.00 0.00 179.25 180.01 2iuy h SER 241 N 0.21 0.00 -4.01 0.00 4.64 -0.44 -3.46 113.55 110.50 2iuy h SER 241 Ca -0.20 -0.01 -0.54 0.00 -0.47 0.00 0.00 61.79 60.57 2iuy h SER 241 Cb 2.00 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 64.20 2iuy h SER 241 CO 0.25 0.01 0.61 0.00 -0.87 0.00 0.00 176.83 176.82 2iuy s ALA 242 N -3.25 3.00 0.20 5.18 0.00 -0.68 0.04 121.76 126.24 2iuy s ALA 242 Ca 0.05 1.28 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 2iuy s ALA 242 Cb 0.08 -3.53 0.13 0.00 0.00 0.00 0.00 23.12 19.80 2iuy s ALA 242 CO 0.71 -1.13 1.87 1.25 0.00 0.00 0.00 175.76 178.45 2iuy h HIS 243 N 1.92 0.85 -2.82 0.00 -0.00 -0.86 -3.44 115.15 110.79 2iuy h HIS 243 Ca -0.50 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 59.86 2iuy h HIS 243 Cb 1.28 -0.29 -0.13 0.00 -0.00 0.00 0.00 27.41 28.27 2iuy h HIS 243 CO 0.49 0.53 0.20 0.00 -0.00 0.00 0.00 177.93 179.15 2iuy s ALA 244 N -6.14 -1.61 -0.04 5.26 0.00 -1.26 -4.50 121.76 113.46 2iuy s ALA 244 Ca -0.13 0.64 -0.01 0.00 0.00 0.00 0.00 51.96 52.46 2iuy s ALA 244 Cb 0.14 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 2iuy s ALA 244 CO 0.77 -0.69 0.03 0.08 0.00 0.00 0.00 175.76 175.94 2iuy s VAL 245 N -3.25 4.41 -0.26 0.00 1.01 -0.54 -1.32 120.40 120.44 2iuy s VAL 245 Ca -0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 2iuy s VAL 245 Cb -0.01 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.47 2iuy s VAL 245 CO -0.09 0.48 -0.02 -0.76 0.00 0.00 0.00 175.10 174.72 2iuy s LEU 246 N -1.29 3.41 0.10 3.92 1.43 -0.35 -0.66 118.68 125.24 2iuy s LEU 246 Ca 0.17 -0.84 0.08 0.00 -1.03 0.00 0.00 54.13 52.51 2iuy s LEU 246 Cb -0.12 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 2iuy s LEU 246 CO 0.07 -0.15 -0.14 0.00 0.23 0.00 0.00 176.35 176.37 2iuy s ALA 247 N 1.37 2.82 0.00 4.21 0.00 -0.14 -4.64 121.76 125.38 2iuy s ALA 247 Ca 0.01 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.70 2iuy s ALA 247 Cb -0.17 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.15 2iuy s ALA 247 CO -0.02 0.62 0.00 0.43 0.00 0.00 0.00 175.76 176.78 2iuy n SER 249 N 0.85 0.00 -4.45 0.00 7.64 -1.18 -2.40 113.62 114.08 2iuy n SER 249 Ca -0.15 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.43 2iuy n SER 249 Cb 0.52 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.60 2iuy n SER 249 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2iuy s GLN 250 N -3.47 2.03 -1.27 1.43 -1.52 0.52 -4.55 119.66 112.82 2iuy s GLN 250 Ca 0.00 -1.01 -0.17 0.00 -1.95 0.00 0.00 55.36 52.24 2iuy s GLN 250 Cb 0.00 -2.17 0.10 0.00 -0.22 0.00 0.00 33.01 30.73 2iuy s GLN 250 CO 0.00 0.53 1.64 0.00 -0.25 0.00 0.00 175.29 177.21 2iuy s ALA 251 N -0.93 3.55 0.30 6.09 0.00 -1.26 -4.63 121.76 124.88 2iuy s ALA 251 Ca 0.15 -3.07 0.06 0.00 0.00 0.00 0.00 51.96 49.09 2iuy s ALA 251 Cb -0.10 -4.47 -0.06 0.00 0.00 0.00 0.00 23.12 18.48 2iuy s ALA 251 CO 0.05 -3.12 -0.02 0.14 0.00 0.00 0.00 175.76 172.81 2iuy s VAL 252 N 3.33 1.55 0.36 0.00 -7.23 -1.26 -4.84 120.40 112.31 2iuy s VAL 252 Ca 0.50 -2.08 0.06 0.00 -1.81 0.00 0.00 61.98 58.65 2iuy s VAL 252 Cb 0.02 -2.60 0.06 0.00 0.56 0.00 0.00 36.38 34.42 2iuy s VAL 252 CO 0.05 -0.19 0.49 1.07 -0.31 0.00 0.00 175.10 176.21 2iuy n THR 253 N -0.65 0.00 -2.31 5.32 5.66 -1.26 -0.04 114.28 121.01 2iuy n THR 253 Ca -0.05 -1.21 0.00 0.00 -3.05 0.00 0.00 64.05 59.75 2iuy n THR 253 Cb 0.65 -0.68 0.00 0.00 -1.55 0.00 0.00 70.33 68.75 2iuy n THR 253 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2iuy n GLY 254 N 0.62 -1.38 0.12 1.09 0.00 -1.26 -4.93 105.19 99.45 2iuy n GLY 254 Ca 0.10 -0.98 0.10 0.00 0.00 0.00 0.00 46.02 45.24 2iuy n GLY 254 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2iuy n PRO 255 N -0.09 0.13 0.24 1.61 -0.04 -1.26 -1.77 135.00 133.82 2iuy n PRO 255 Ca 0.00 0.53 0.09 0.00 -0.04 0.00 0.00 63.50 64.09 2iuy n PRO 255 Cb 0.00 -1.85 0.59 0.00 -0.04 0.00 0.00 33.50 32.20 2iuy n PRO 255 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 2iuy h TRP 256 N 0.00 0.00 0.00 0.54 0.09 -2.01 -3.49 115.95 111.08 2iuy h TRP 256 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 2iuy h TRP 256 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.36 2iuy h TRP 256 CO 0.00 0.20 0.00 0.41 0.09 0.00 0.00 178.44 179.14 2iuy n GLY 257 N -0.56 -2.00 2.32 11.11 0.00 -0.73 -4.91 105.19 110.43 2iuy n GLY 257 Ca -0.02 -1.11 0.02 0.00 0.00 0.00 0.00 46.02 44.91 2iuy n GLY 257 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iuy n GLY 258 N 0.27 -2.15 3.74 -0.02 0.00 -1.26 -4.83 105.19 100.94 2iuy n GLY 258 Ca 0.00 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 2iuy n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2iuy s ILE 259 N -0.78 4.05 0.24 -0.61 -1.09 -1.26 -4.23 121.20 117.52 2iuy s ILE 259 Ca 0.00 1.75 -0.31 0.00 -2.23 0.00 0.00 60.65 59.85 2iuy s ILE 259 Cb 0.00 -4.11 -0.13 0.00 -1.58 0.00 0.00 42.46 36.64 2iuy s ILE 259 CO 0.00 0.29 1.52 1.87 -1.23 0.00 0.00 174.94 177.39 2iuy n TRP 260 N 2.50 2.44 -3.63 3.97 -0.00 0.95 -4.95 117.44 118.72 2iuy n TRP 260 Ca 0.03 0.32 -0.28 0.00 -0.00 0.00 0.00 57.50 57.57 2iuy n TRP 260 Cb 0.47 -2.53 -0.16 0.00 -0.00 0.00 0.00 31.31 29.09 2iuy n TRP 260 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2iuy n GLU 262 N 5.17 2.20 -0.01 0.00 4.07 -1.26 -4.48 120.64 126.33 2iuy n GLU 262 Ca -0.07 0.73 -0.11 0.00 -0.06 0.00 0.00 57.16 57.66 2iuy n GLU 262 Cb 0.46 -2.93 -0.05 0.00 -0.06 0.00 0.00 31.44 28.85 2iuy n GLU 262 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 2iuy h PRO 263 N 11.91 0.14 0.00 5.31 0.11 -1.88 0.02 132.00 147.63 2iuy h PRO 263 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2iuy h PRO 263 Cb 1.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2iuy h PRO 263 CO 0.96 0.13 0.00 0.41 -0.21 0.00 0.00 178.00 179.29 2iuy n GLY 264 N -1.02 0.00 3.34 -0.55 0.00 -1.26 -3.60 105.19 102.10 2iuy n GLY 264 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 2iuy n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iuy n ALA 265 N -0.10 -2.63 -0.16 4.61 0.00 -1.26 -4.73 120.51 116.24 2iuy n ALA 265 Ca 0.00 -0.05 0.16 0.00 0.00 0.00 0.00 53.44 53.55 2iuy n ALA 265 Cb 0.00 -1.30 0.52 0.00 0.00 0.00 0.00 19.45 18.67 2iuy n ALA 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2iuy h THR 266 N 0.28 0.78 -0.00 0.00 1.03 -1.98 -1.74 112.91 111.27 2iuy h THR 266 Ca -0.25 -0.13 0.00 0.00 -0.01 0.00 0.00 66.41 66.02 2iuy h THR 266 Cb 1.16 0.37 -0.00 0.00 -1.07 0.00 0.00 68.15 68.61 2iuy h THR 266 CO 0.32 0.07 0.00 1.62 -0.01 0.00 0.00 175.52 177.52 2iuy h VAL 267 N 0.37 0.57 0.14 0.00 3.04 -1.99 -2.05 116.25 116.34 2iuy h VAL 267 Ca 0.37 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 66.05 2iuy h VAL 267 Cb 0.90 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 2iuy h VAL 267 CO -0.11 0.00 -0.07 0.58 -1.01 0.00 0.00 177.57 176.96 2iuy h VAL 268 N 0.00 0.97 -0.27 1.51 2.07 -1.65 -0.11 116.25 118.77 2iuy h VAL 268 Ca 0.00 -0.48 -0.10 0.00 0.82 0.00 0.00 66.70 66.95 2iuy h VAL 268 Cb 0.00 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2iuy h VAL 268 CO -0.00 0.11 -0.25 0.77 0.02 0.00 0.00 177.57 178.22 2iuy h SER 269 N -0.42 0.52 -0.02 0.57 4.64 -1.59 -2.21 113.55 115.03 2iuy h SER 269 Ca -0.02 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2iuy h SER 269 Cb 0.33 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2iuy h SER 269 CO 0.03 0.76 0.00 -0.33 -0.87 0.00 0.00 176.83 176.43 2iuy h GLU 270 N 0.45 0.04 0.08 4.77 5.08 -1.32 -1.17 114.58 122.50 2iuy h GLU 270 Ca 0.07 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2iuy h GLU 270 Cb 0.68 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2iuy h GLU 270 CO 0.05 0.27 -0.13 0.00 -1.00 0.00 0.00 179.01 178.20 2iuy h ALA 271 N 0.77 -0.22 -0.33 3.43 0.00 -0.98 -2.54 119.26 119.39 2iuy h ALA 271 Ca 0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2iuy h ALA 271 Cb 0.25 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2iuy h ALA 271 CO 0.00 -0.65 -0.16 0.00 0.00 0.00 0.00 179.25 178.44 2iuy h ALA 272 N 0.62 0.46 0.00 0.00 0.00 -1.19 -0.41 119.26 118.75 2iuy h ALA 272 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2iuy h ALA 272 Cb 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2iuy h ALA 272 CO -0.07 0.37 0.00 -0.24 0.00 0.00 0.00 179.25 179.31 2iuy h VAL 273 N 0.46 0.00 -0.32 0.00 3.04 -1.27 0.21 116.25 118.37 2iuy h VAL 273 Ca 0.07 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2iuy h VAL 273 Cb 0.69 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 31.22 2iuy h VAL 273 CO 0.05 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.41 2iuy n SER 274 N -3.06 1.75 -0.07 3.17 7.64 -0.38 -4.77 113.62 117.91 2iuy n SER 274 Ca -0.01 -1.98 -0.01 0.00 1.01 0.00 0.00 58.87 57.88 2iuy n SER 274 Cb 0.19 -0.21 -0.00 0.00 -1.01 0.00 0.00 64.21 63.18 2iuy n SER 274 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2iuy n GLY 275 N 1.03 0.34 2.98 0.23 0.00 0.71 -4.35 105.19 106.13 2iuy n GLY 275 Ca 0.11 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 2iuy n GLY 275 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2iuy s THR 276 N -2.03 1.29 0.93 2.61 2.01 -0.31 -4.17 115.64 115.98 2iuy s THR 276 Ca 0.00 -0.48 -0.13 0.00 0.31 0.00 0.00 61.69 61.39 2iuy s THR 276 Cb 0.00 -1.23 0.15 0.00 0.01 0.00 0.00 72.50 71.42 2iuy s THR 276 CO 0.00 0.41 1.15 -2.16 -0.69 0.00 0.00 174.62 173.33 2iuy s PRO 277 N 1.36 1.02 -0.05 4.92 0.04 -1.26 -2.71 135.00 138.32 2iuy s PRO 277 Ca 0.00 0.20 0.02 0.00 0.04 0.00 0.00 61.00 61.26 2iuy s PRO 277 Cb -0.14 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.59 2iuy s PRO 277 CO -0.06 -2.27 -0.07 0.08 0.04 0.00 0.00 177.00 174.73 2iuy s VAL 278 N -3.33 0.70 -0.22 -0.36 1.01 -0.60 -1.46 120.40 116.15 2iuy s VAL 278 Ca 0.65 -0.23 -0.10 0.00 0.00 0.00 0.00 61.98 62.30 2iuy s VAL 278 Cb -0.13 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 2iuy s VAL 278 CO 0.53 0.26 0.13 -0.69 0.00 0.00 0.00 175.10 175.33 2iuy s VAL 279 N 0.76 5.24 0.22 2.92 1.01 0.16 -2.05 120.40 128.67 2iuy s VAL 279 Ca -0.12 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.00 2iuy s VAL 279 Cb -0.14 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2iuy s VAL 279 CO 0.01 0.40 0.14 -0.83 0.00 0.00 0.00 175.10 174.82 2iuy s GLY 280 N 0.71 1.58 1.06 4.51 0.00 -0.81 -0.97 107.32 113.40 2iuy s GLY 280 Ca 0.07 -1.75 -0.18 0.00 0.00 0.00 0.00 44.72 42.85 2iuy s GLY 280 CO 0.01 -1.43 1.30 -0.51 0.00 0.00 0.00 173.10 172.47 2iuy s THR 281 N -4.03 1.87 -1.43 0.90 -4.23 -1.01 0.56 115.64 108.27 2iuy s THR 281 Ca 0.39 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 61.06 2iuy s THR 281 Cb 0.07 -2.87 0.59 0.00 1.34 0.00 0.00 72.50 71.63 2iuy s THR 281 CO 0.14 0.00 1.48 0.61 -0.54 0.00 0.00 174.62 176.31 2iuy n GLY 282 N -3.12 2.18 3.71 3.99 0.00 -1.25 -4.22 105.19 106.47 2iuy n GLY 282 Ca 0.17 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 2iuy n GLY 282 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2iuy s ASN 283 N -0.88 6.40 1.45 1.61 3.84 -1.26 -3.35 114.94 122.75 2iuy s ASN 283 Ca 0.43 2.83 0.00 0.00 0.21 0.00 0.00 52.86 56.32 2iuy s ASN 283 Cb 0.26 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 38.37 2iuy s ASN 283 CO 0.23 -0.98 0.00 0.61 -2.79 0.00 0.00 177.10 174.17 2iuy n GLY 284 N 4.07 3.38 0.30 1.21 0.00 -1.26 -0.59 105.19 112.30 2iuy n GLY 284 Ca 0.17 -0.03 0.18 0.00 0.00 0.00 0.00 46.02 46.33 2iuy n GLY 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iuy h LEU 286 N 0.00 1.04 -1.94 0.00 3.38 -1.10 -0.10 115.31 116.59 2iuy h LEU 286 Ca -0.00 0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.22 2iuy h LEU 286 Cb 0.20 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 2iuy h LEU 286 CO 0.01 0.66 0.60 0.00 0.09 0.00 0.00 178.44 179.79 2iuy h ALA 287 N 1.46 2.72 0.07 1.53 0.00 -1.56 -1.38 119.26 122.09 2iuy h ALA 287 Ca 0.43 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 55.01 2iuy h ALA 287 Cb 0.17 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2iuy h ALA 287 CO -0.17 -0.96 -1.74 0.93 0.00 0.00 0.00 179.25 177.31 2iuy h GLU 288 N 0.05 0.14 0.00 0.00 5.08 -1.25 -3.42 114.58 115.17 2iuy h GLU 288 Ca 0.40 -0.24 -0.19 0.00 -1.00 0.00 0.00 59.36 58.34 2iuy h GLU 288 Cb 1.54 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.84 2iuy h GLU 288 CO -0.02 0.88 -1.70 0.44 -1.00 0.00 0.00 179.01 177.60 2iuy n ILE 289 N -3.28 0.71 -0.23 3.13 -5.35 -1.00 -4.66 119.36 108.66 2iuy n ILE 289 Ca -0.21 -0.39 -0.05 0.00 -0.27 0.00 0.00 62.75 61.83 2iuy n ILE 289 Cb 1.04 -0.79 0.05 0.00 -1.74 0.00 0.00 39.64 38.21 2iuy n ILE 289 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 2iuy h VAL 290 N 0.00 1.15 0.00 7.28 2.07 -1.50 -2.68 116.25 122.56 2iuy h VAL 290 Ca -0.28 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 2iuy h VAL 290 Cb 1.58 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2iuy h VAL 290 CO 0.00 0.16 -0.06 -0.65 0.02 0.00 0.00 177.57 177.04 2iuy h PRO 291 N 0.87 0.00 0.00 1.57 0.11 -1.76 0.11 132.00 132.90 2iuy h PRO 291 Ca 0.25 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.33 2iuy h PRO 291 Cb -0.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.03 2iuy h PRO 291 CO -0.07 0.06 -0.12 0.77 -0.21 0.00 0.00 178.00 178.44 2iuy h SER 292 N 0.00 0.00 0.00 -2.05 0.02 -1.74 -3.29 113.55 106.48 2iuy h SER 292 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2iuy h SER 292 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2iuy h SER 292 CO 0.01 0.12 -0.34 1.33 -1.14 0.00 0.00 176.83 176.81 2iuy n VAL 293 N -3.36 0.48 0.00 2.27 0.24 -0.18 -4.89 118.33 112.89 2iuy n VAL 293 Ca -0.01 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 2iuy n VAL 293 Cb 0.31 0.35 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 2iuy n VAL 293 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2iuy n GLY 294 N -0.36 -0.58 3.09 7.63 0.00 0.19 -1.55 105.19 113.61 2iuy n GLY 294 Ca 0.04 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 2iuy n GLY 294 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2iuy s GLU 295 N -0.88 0.24 0.12 1.61 2.12 -0.87 -4.32 118.70 116.72 2iuy s GLU 295 Ca 0.00 0.31 -0.27 0.00 0.36 0.00 0.00 54.97 55.37 2iuy s GLU 295 Cb 0.00 0.11 -0.07 0.00 0.26 0.00 0.00 34.13 34.43 2iuy s GLU 295 CO 0.00 -0.04 0.83 0.08 -0.54 0.00 0.00 175.26 175.59 2iuy s VAL 296 N 0.18 4.50 0.35 3.70 1.01 -1.26 -1.93 120.40 126.96 2iuy s VAL 296 Ca -0.01 1.80 0.05 0.00 0.00 0.00 0.00 61.98 63.83 2iuy s VAL 296 Cb -0.02 -4.19 -0.07 0.00 0.00 0.00 0.00 36.38 32.10 2iuy s VAL 296 CO -0.00 0.41 0.03 0.68 0.00 0.00 0.00 175.10 176.23 2iuy s VAL 297 N -0.48 1.53 0.93 2.92 -7.23 0.19 -4.93 120.40 113.33 2iuy s VAL 297 Ca 0.40 -2.01 -0.11 0.00 -1.81 0.00 0.00 61.98 58.45 2iuy s VAL 297 Cb -0.22 -2.86 0.15 0.00 0.56 0.00 0.00 36.38 34.01 2iuy s VAL 297 CO 0.26 -0.02 1.10 -0.83 -0.31 0.00 0.00 175.10 175.31 2iuy s GLY 298 N -3.57 1.64 0.90 2.32 0.00 -1.26 -3.93 107.32 103.43 2iuy s GLY 298 Ca 0.36 0.26 -0.12 0.00 0.00 0.00 0.00 44.72 45.22 2iuy s GLY 298 CO 0.16 0.73 1.09 -0.19 0.00 0.00 0.00 173.10 174.90 2iuy s TYR 299 N -2.72 2.28 0.00 1.90 2.02 -1.26 -4.83 117.35 114.74 2iuy s TYR 299 Ca 0.65 1.25 0.00 0.00 -0.37 0.00 0.00 57.07 58.61 2iuy s TYR 299 Cb -0.21 -3.17 0.00 0.00 -0.40 0.00 0.00 41.96 38.18 2iuy s TYR 299 CO 0.59 -2.44 0.00 0.41 -1.57 0.00 0.00 175.55 172.53 2iuy n GLY 300 N -1.07 -2.10 0.42 0.71 0.00 -1.26 -4.68 105.19 97.20 2iuy n GLY 300 Ca 0.07 -1.55 0.04 0.00 0.00 0.00 0.00 46.02 44.59 2iuy n GLY 300 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2iuy n THR 301 N -0.10 0.51 -3.26 2.61 -2.24 -1.26 -4.78 114.28 105.77 2iuy n THR 301 Ca 0.00 -0.76 -0.45 0.00 -2.27 0.00 0.00 64.05 60.57 2iuy n THR 301 Cb 0.00 0.83 -0.01 0.00 -2.10 0.00 0.00 70.33 69.05 2iuy n THR 301 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2iuy s ASP 302 N -0.86 7.12 -0.24 3.42 1.01 -1.26 -4.84 116.67 121.02 2iuy s ASP 302 Ca 0.14 -3.22 -0.07 0.00 0.71 0.00 0.00 52.55 50.11 2iuy s ASP 302 Cb 0.08 -2.25 -0.03 0.00 1.01 0.00 0.00 42.92 41.74 2iuy s ASP 302 CO 0.11 -0.46 0.06 -0.36 0.21 0.00 0.00 175.17 174.74 2iuy s PHE 303 N -0.33 3.08 0.07 4.23 0.08 -1.26 -5.06 117.98 118.79 2iuy s PHE 303 Ca 0.29 -0.42 -0.30 0.00 0.12 0.00 0.00 56.93 56.61 2iuy s PHE 303 Cb -0.09 -2.22 -0.09 0.00 -0.57 0.00 0.00 43.02 40.05 2iuy s PHE 303 CO -0.07 -0.34 1.88 0.00 -0.10 0.00 0.00 175.22 176.58 2iuy s ALA 304 N 1.54 3.67 0.23 5.36 0.00 -1.26 -4.86 121.76 126.43 2iuy s ALA 304 Ca 0.06 1.36 -0.07 0.00 0.00 0.00 0.00 51.96 53.30 2iuy s ALA 304 Cb -0.15 -3.80 0.38 0.00 0.00 0.00 0.00 23.12 19.55 2iuy s ALA 304 CO 0.03 -1.39 1.70 -1.35 0.00 0.00 0.00 175.76 174.76 2iuy h PRO 305 N 9.55 0.29 0.18 0.00 0.11 -1.98 -0.24 132.00 139.91 2iuy h PRO 305 Ca -0.47 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.64 2iuy h PRO 305 Cb 1.22 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2iuy h PRO 305 CO 0.94 0.19 -0.33 0.38 -0.21 0.00 0.00 178.00 178.97 2iuy h ASP 306 N 0.29 -0.93 -0.33 -2.05 2.03 -1.91 -0.02 116.42 113.50 2iuy h ASP 306 Ca 0.36 0.10 0.07 0.00 -0.73 0.00 0.00 57.03 56.84 2iuy h ASP 306 Cb 0.57 0.34 -0.07 0.00 -0.83 0.00 0.00 39.33 39.34 2iuy h ASP 306 CO -0.44 -0.43 -0.15 -0.08 -1.03 0.00 0.00 179.24 177.12 2iuy h GLU 307 N -0.59 -0.09 0.04 4.15 4.81 -1.94 -2.17 114.58 118.80 2iuy h GLU 307 Ca 0.02 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2iuy h GLU 307 Cb 0.59 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 2iuy h GLU 307 CO -0.16 -0.06 -0.06 0.00 -0.73 0.00 0.00 179.01 178.00 2iuy h ALA 308 N 1.17 -0.10 -0.48 2.92 0.00 -0.56 0.21 119.26 122.42 2iuy h ALA 308 Ca 0.17 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2iuy h ALA 308 Cb 0.35 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2iuy h ALA 308 CO -0.39 -0.57 0.08 -0.09 0.00 0.00 0.00 179.25 178.28 2iuy h ARG 309 N -0.13 0.75 -0.16 0.00 2.43 -0.98 0.84 114.38 117.13 2iuy h ARG 309 Ca 0.01 -0.16 -0.13 0.00 -0.81 0.00 0.00 59.98 58.89 2iuy h ARG 309 Cb 0.14 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2iuy h ARG 309 CO -0.04 0.71 -0.40 0.00 -1.51 0.00 0.00 179.97 178.72 2iuy h ARG 310 N 0.72 0.56 -0.56 0.20 2.47 -1.06 -0.10 114.38 116.61 2iuy h ARG 310 Ca 0.15 -0.39 0.11 0.00 -1.26 0.00 0.00 59.98 58.60 2iuy h ARG 310 Cb 0.33 0.06 -0.10 0.00 -1.65 0.00 0.00 29.97 28.60 2iuy h ARG 310 CO 0.00 1.00 -0.11 1.15 0.56 0.00 0.00 179.97 182.58 2iuy h THR 311 N 0.21 0.47 -0.22 2.04 2.02 -0.04 0.16 112.91 117.55 2iuy h THR 311 Ca -0.00 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 2iuy h THR 311 Cb 1.01 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2iuy h THR 311 CO 0.09 0.00 -0.05 0.25 0.37 0.00 0.00 175.52 176.18 2iuy h LEU 312 N 0.02 0.42 -1.05 2.58 5.85 -0.74 -3.12 115.31 119.28 2iuy h LEU 312 Ca 0.27 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2iuy h LEU 312 Cb 0.42 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 2iuy h LEU 312 CO -0.55 0.69 -0.07 0.00 -0.34 0.00 0.00 178.44 178.17 2iuy h ALA 313 N 0.74 0.99 -0.06 1.25 0.00 -0.84 -2.94 119.26 118.42 2iuy h ALA 313 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2iuy h ALA 313 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2iuy h ALA 313 CO 0.02 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.77 2iuy n GLY 314 N 0.31 -0.25 3.75 0.00 0.00 0.03 -4.98 105.19 104.04 2iuy n GLY 314 Ca 0.01 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 2iuy n GLY 314 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2iuy s LEU 315 N -1.79 3.36 0.81 0.99 1.43 -1.11 -4.98 118.68 117.39 2iuy s LEU 315 Ca 0.36 2.18 -0.13 0.00 -1.03 0.00 0.00 54.13 55.51 2iuy s LEU 315 Cb 0.19 -4.57 0.09 0.00 0.03 0.00 0.00 46.19 41.92 2iuy s LEU 315 CO 0.30 -1.94 1.18 -2.16 0.23 0.00 0.00 176.35 173.95 2iuy s PRO 316 N -3.98 1.67 0.73 1.29 0.04 -1.26 -5.04 135.00 128.45 2iuy s PRO 316 Ca 0.71 1.64 -0.06 0.00 0.04 0.00 0.00 61.00 63.32 2iuy s PRO 316 Cb -0.25 -1.79 0.09 0.00 0.04 0.00 0.00 34.50 32.59 2iuy s PRO 316 CO 0.43 -2.17 1.04 0.00 0.04 0.00 0.00 177.00 176.34 2iuy s ALA 317 N -2.32 3.17 0.23 8.56 0.00 -1.26 -4.61 121.76 125.54 2iuy s ALA 317 Ca 0.70 -1.12 -0.08 0.00 0.00 0.00 0.00 51.96 51.46 2iuy s ALA 317 Cb -0.26 -2.49 0.37 0.00 0.00 0.00 0.00 23.12 20.74 2iuy s ALA 317 CO 0.51 -1.44 1.69 0.77 0.00 0.00 0.00 175.76 177.29 2iuy h SER 318 N -0.68 -0.00 -0.45 0.00 0.02 -1.97 -2.39 113.55 108.08 2iuy h SER 318 Ca -0.43 0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 2iuy h SER 318 Cb 1.30 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.99 2iuy h SER 318 CO 0.53 -0.01 0.18 0.44 -1.14 0.00 0.00 176.83 176.83 2iuy h ASP 319 N 0.26 0.62 -0.18 3.07 5.19 -1.95 -1.18 116.42 122.25 2iuy h ASP 319 Ca 0.36 -0.17 -0.00 0.00 -0.62 0.00 0.00 57.03 56.60 2iuy h ASP 319 Cb 0.58 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 2iuy h ASP 319 CO -0.46 0.61 0.11 -0.08 -3.12 0.00 0.00 179.24 176.30 2iuy h GLU 320 N 0.58 0.24 -0.14 3.56 4.81 -1.87 -3.00 114.58 118.76 2iuy h GLU 320 Ca 0.15 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.20 2iuy h GLU 320 Cb 0.19 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2iuy h GLU 320 CO -0.01 0.21 -0.58 -0.39 -0.73 0.00 0.00 179.01 177.51 2iuy h VAL 321 N 0.21 1.34 -0.00 0.32 -1.51 -1.30 -1.36 116.25 113.95 2iuy h VAL 321 Ca 0.06 -1.87 -0.00 0.00 -1.23 0.00 0.00 66.70 63.66 2iuy h VAL 321 Cb 0.03 1.87 -0.00 0.00 -2.13 0.00 0.00 31.29 31.06 2iuy h VAL 321 CO -0.01 0.57 0.00 -0.09 -1.23 0.00 0.00 177.57 176.81 2iuy h ARG 322 N 0.33 0.00 -0.58 5.19 2.43 -1.01 -0.46 114.38 120.28 2iuy h ARG 322 Ca 0.00 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 2iuy h ARG 322 Cb 1.10 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.58 2iuy h ARG 322 CO 0.10 0.26 -0.35 -0.09 -1.51 0.00 0.00 179.97 178.38 2iuy h ARG 323 N -0.25 -0.01 -0.68 0.20 2.43 -1.61 -1.26 114.38 113.20 2iuy h ARG 323 Ca 0.00 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.28 2iuy h ARG 323 Cb 0.26 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.73 2iuy h ARG 323 CO 0.00 -0.01 0.29 0.00 -1.51 0.00 0.00 179.97 178.75 2iuy h ALA 324 N -0.13 0.92 -0.63 2.80 0.00 -1.25 -1.34 119.26 119.62 2iuy h ALA 324 Ca 0.09 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2iuy h ALA 324 Cb 0.25 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2iuy h ALA 324 CO -0.55 -0.14 0.14 0.00 0.00 0.00 0.00 179.25 178.70 2iuy h ALA 325 N 1.45 0.83 -0.04 0.00 0.00 -0.85 -1.69 119.26 118.97 2iuy h ALA 325 Ca 0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2iuy h ALA 325 Cb 0.43 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2iuy h ALA 325 CO -0.31 0.56 -0.03 0.28 0.00 0.00 0.00 179.25 179.75 2iuy h VAL 326 N 0.94 1.37 -0.75 0.00 2.07 -1.20 0.13 116.25 118.81 2iuy h VAL 326 Ca 0.20 -1.16 0.12 0.00 0.82 0.00 0.00 66.70 66.68 2iuy h VAL 326 Cb 0.38 2.07 -0.08 0.00 -1.52 0.00 0.00 31.29 32.14 2iuy h VAL 326 CO 0.01 0.31 0.35 0.03 0.02 0.00 0.00 177.57 178.28 2iuy h ARG 327 N -0.36 0.53 0.08 1.57 3.08 -1.19 0.16 114.38 118.24 2iuy h ARG 327 Ca 0.01 -0.03 -0.35 0.00 0.07 0.00 0.00 59.98 59.67 2iuy h ARG 327 Cb 0.52 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 2iuy h ARG 327 CO 0.01 0.35 -2.02 1.28 -1.07 0.00 0.00 179.97 178.52 2iuy n LEU 328 N -4.92 2.18 0.00 3.04 4.77 -0.64 -4.61 117.00 116.82 2iuy n LEU 328 Ca 0.13 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 2iuy n LEU 328 Cb 0.35 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 2iuy n LEU 328 CO 0.22 0.75 0.38 0.79 -1.33 0.00 0.00 177.39 178.20 2iuy n TRP 329 N -3.33 0.00 -1.65 -1.77 8.01 0.41 -4.87 117.44 114.24 2iuy n TRP 329 Ca -0.31 -0.28 -0.43 0.00 -1.31 0.00 0.00 57.50 55.17 2iuy n TRP 329 Cb 1.05 -0.03 -0.00 0.00 -2.01 0.00 0.00 31.31 30.31 2iuy n TRP 329 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2iuy n GLY 330 N -0.28 0.22 0.38 6.99 0.00 0.55 -1.26 105.19 111.79 2iuy n GLY 330 Ca 0.00 0.28 0.16 0.00 0.00 0.00 0.00 46.02 46.46 2iuy n GLY 330 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2iuy h HIS 331 N 2.18 0.77 0.15 1.61 2.07 -1.03 -1.62 115.15 119.29 2iuy h HIS 331 Ca -0.44 0.02 -0.27 0.00 -2.85 0.00 0.00 60.37 56.83 2iuy h HIS 331 Cb 1.31 -0.23 0.03 0.00 2.57 0.00 0.00 27.41 31.08 2iuy h HIS 331 CO 0.48 0.19 -1.15 0.28 -3.07 0.00 0.00 177.93 174.66 2iuy h VAL 332 N 0.57 1.35 -0.54 6.12 2.07 -1.87 0.17 116.25 124.12 2iuy h VAL 332 Ca 0.52 -2.51 0.02 0.00 0.82 0.00 0.00 66.70 65.55 2iuy h VAL 332 Cb 1.05 2.91 -0.03 0.00 -1.52 0.00 0.00 31.29 33.70 2iuy h VAL 332 CO -0.26 0.74 0.34 0.00 0.02 0.00 0.00 177.57 178.42 2iuy h THR 333 N 0.05 1.09 -0.21 2.57 1.03 -1.84 -0.60 112.91 115.00 2iuy h THR 333 Ca -0.19 -0.23 -0.13 0.00 -0.01 0.00 0.00 66.41 65.85 2iuy h THR 333 Cb 1.87 0.35 0.00 0.00 -1.07 0.00 0.00 68.15 69.30 2iuy h THR 333 CO 0.22 0.12 -0.39 0.40 -0.01 0.00 0.00 175.52 175.86 2iuy h ILE 334 N 0.68 1.32 -0.90 0.00 1.08 -1.33 -2.41 117.51 115.96 2iuy h ILE 334 Ca 0.21 -1.61 0.06 0.00 -0.39 0.00 0.00 64.86 63.12 2iuy h ILE 334 Cb -0.02 1.84 -0.06 0.00 -3.07 0.00 0.00 36.82 35.50 2iuy h ILE 334 CO -0.07 0.50 0.57 0.00 -0.69 0.00 0.00 178.15 178.46 2iuy h ALA 335 N 0.61 1.23 -0.05 1.87 0.00 -0.88 -1.41 119.26 120.62 2iuy h ALA 335 Ca 0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2iuy h ALA 335 Cb 0.99 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2iuy h ALA 335 CO 0.09 0.35 -0.54 1.05 0.00 0.00 0.00 179.25 180.20 2iuy h GLU 336 N 1.05 0.15 -0.39 0.00 4.11 -1.06 -1.34 114.58 117.11 2iuy h GLU 336 Ca 0.38 -0.09 0.02 0.00 0.07 0.00 0.00 59.36 59.74 2iuy h GLU 336 Cb 0.14 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2iuy h GLU 336 CO -0.16 0.65 0.22 0.00 0.07 0.00 0.00 179.01 179.79 2iuy h ARG 337 N 0.12 0.44 -0.50 1.06 3.08 -0.90 -1.74 114.38 115.93 2iuy h ARG 337 Ca 0.00 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.05 2iuy h ARG 337 Cb 0.99 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.90 2iuy h ARG 337 CO 0.08 0.29 0.30 1.88 -1.07 0.00 0.00 179.97 181.44 2iuy h TYR 338 N 0.45 0.55 -0.88 3.04 0.05 -0.93 -2.75 116.97 116.51 2iuy h TYR 338 Ca 0.15 0.02 0.07 0.00 0.05 0.00 0.00 58.73 59.02 2iuy h TYR 338 Cb 0.01 -0.18 -0.06 0.00 1.01 0.00 0.00 36.73 37.51 2iuy h TYR 338 CO -0.08 0.32 0.55 0.28 -1.05 0.00 0.00 178.16 178.18 2iuy h VAL 339 N 0.59 1.03 -0.69 -2.88 2.07 -1.03 0.21 116.25 115.56 2iuy h VAL 339 Ca 0.20 -0.34 0.09 0.00 0.82 0.00 0.00 66.70 67.47 2iuy h VAL 339 Cb 0.02 -0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 29.68 2iuy h VAL 339 CO -0.09 0.18 0.34 -0.08 0.02 0.00 0.00 177.57 177.94 2iuy h GLU 340 N 0.98 0.57 -0.35 1.57 4.81 -1.15 0.68 114.58 121.70 2iuy h GLU 340 Ca 0.39 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.44 2iuy h GLU 340 Cb 0.20 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2iuy h GLU 340 CO -0.18 0.38 -0.35 1.96 -0.73 0.00 0.00 179.01 180.08 2iuy h GLN 341 N 0.59 0.79 -0.28 1.92 1.08 -0.84 -1.45 115.11 116.91 2iuy h GLN 341 Ca 0.33 -0.39 0.05 0.00 -1.45 0.00 0.00 58.65 57.20 2iuy h GLN 341 Cb 0.33 -0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.71 2iuy h GLN 341 CO -0.26 1.02 -0.03 1.88 -0.95 0.00 0.00 178.83 180.49 2iuy h TYR 342 N 0.66 -0.08 -0.37 2.96 0.05 -0.01 -2.01 116.97 118.17 2iuy h TYR 342 Ca 0.06 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.82 2iuy h TYR 342 Cb 0.90 0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.70 2iuy h TYR 342 CO 0.05 -0.08 0.04 0.00 -1.05 0.00 0.00 178.16 177.12 2iuy h ARG 343 N 0.04 0.56 -0.27 4.88 3.08 -0.79 -0.28 114.38 121.61 2iuy h ARG 343 Ca 0.14 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 60.10 2iuy h ARG 343 Cb 0.20 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 2iuy h ARG 343 CO -0.26 0.55 0.10 -0.09 -1.07 0.00 0.00 179.97 179.20 2iuy h ARG 344 N 0.54 0.21 -0.41 0.04 2.43 -0.94 -0.93 114.38 115.33 2iuy h ARG 344 Ca 0.12 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2iuy h ARG 344 Cb 0.28 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2iuy h ARG 344 CO 0.00 0.14 0.03 -0.07 -1.51 0.00 0.00 179.97 178.57 2iuy h LEU 345 N 0.22 0.68 -1.56 3.80 3.38 -1.09 -2.45 115.31 118.29 2iuy h LEU 345 Ca 0.12 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2iuy h LEU 345 Cb 0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2iuy h LEU 345 CO -0.12 0.80 0.26 -0.07 0.09 0.00 0.00 178.44 179.41 2iuy h LEU 346 N 0.54 0.49 0.00 1.67 3.38 -0.90 -1.75 115.31 118.74 2iuy h LEU 346 Ca 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2iuy h LEU 346 Cb 0.43 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2iuy h LEU 346 CO 0.02 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.91 2iuy n ALA 347 N -2.47 2.46 -0.18 1.53 0.00 -0.37 -4.89 120.51 116.59 2iuy n ALA 347 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2iuy n ALA 347 Cb 0.07 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.09 2iuy n ALA 347 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iuy n GLY 348 N 0.70 0.91 3.88 0.00 0.00 -0.66 -5.09 105.19 104.93 2iuy n GLY 348 Ca 0.19 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2iuy n GLY 348 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iuy s ALA 349 N -2.00 3.46 0.17 4.61 0.00 -0.94 -5.03 121.76 122.03 2iuy s ALA 349 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 51.96 51.65 2iuy s ALA 349 Cb 0.00 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 2iuy s ALA 349 CO 0.00 0.15 0.07 -0.08 0.00 0.00 0.00 175.76 175.91 2iuy s THR 350 N -2.19 0.21 0.22 0.00 -1.32 -1.26 -4.23 115.64 107.07 2iuy s THR 350 Ca 0.49 -1.95 -0.22 0.00 -1.21 0.00 0.00 61.69 58.80 2iuy s THR 350 Cb -0.10 -2.24 0.04 0.00 -1.51 0.00 0.00 72.50 68.69 2iuy s THR 350 CO 0.29 -0.29 0.65 -1.66 -2.21 0.00 0.00 174.62 171.39 2iuy s TRP 351 N -3.99 -0.34 0.00 9.09 -2.14 -1.26 -5.04 118.94 115.25 2iuy s TRP 351 Ca 0.30 0.01 0.00 0.00 2.66 0.00 0.00 56.10 59.06 2iuy s TRP 351 Cb 0.07 0.62 0.00 0.00 -3.10 0.00 0.00 33.47 31.06 2iuy s TRP 351 CO 0.06 -1.04 0.00 1.17 -2.66 0.00 0.00 176.95 174.48