#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 3.87 -0.23 1.53 1.43 -1.26 -4.90 118.68 119.12 2iuy s LEU 14 Ca 0.00 1.02 -0.06 0.00 -1.03 0.00 0.00 54.13 54.06 2iuy s LEU 14 Cb 0.00 -3.89 -0.03 0.00 0.03 0.00 0.00 46.19 42.30 2iuy s LEU 14 CO 0.00 -0.36 0.04 -0.54 0.23 0.00 0.00 176.35 175.72 2iuy s LYS 15 N -3.84 3.64 -0.12 1.70 1.02 -1.26 -1.11 119.74 119.77 2iuy s LYS 15 Ca 0.49 -0.49 0.02 0.00 0.02 0.00 0.00 55.97 56.01 2iuy s LYS 15 Cb -0.10 -3.23 0.01 0.00 -0.52 0.00 0.00 37.83 34.00 2iuy s LYS 15 CO 0.32 -0.11 -0.17 0.08 -0.92 0.00 0.00 175.35 174.55 2iuy s VAL 16 N 1.37 1.64 -0.34 3.17 1.01 0.23 -0.39 120.40 127.08 2iuy s VAL 16 Ca 0.05 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.13 2iuy s VAL 16 Cb -0.15 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 2iuy s VAL 16 CO 0.02 0.47 0.47 0.00 0.00 0.00 0.00 175.10 176.07 2iuy s ALA 17 N 0.99 3.49 -0.32 5.51 0.00 -0.08 -0.99 121.76 130.36 2iuy s ALA 17 Ca -0.06 -1.05 -0.14 0.00 0.00 0.00 0.00 51.96 50.72 2iuy s ALA 17 Cb -0.15 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 2iuy s ALA 17 CO -0.02 -1.17 0.29 -0.51 0.00 0.00 0.00 175.76 174.35 2iuy s LEU 18 N 2.29 4.33 -0.48 0.00 1.43 -0.02 -0.23 118.68 126.00 2iuy s LEU 18 Ca 0.17 -0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 52.97 2iuy s LEU 18 Cb -0.16 -2.24 0.10 0.00 0.03 0.00 0.00 46.19 43.92 2iuy s LEU 18 CO 0.13 -0.23 0.37 -0.69 0.23 0.00 0.00 176.35 176.16 2iuy s VAL 19 N 1.88 4.66 0.61 -1.59 1.01 0.99 -0.66 120.40 127.30 2iuy s VAL 19 Ca 0.09 -1.48 -0.18 0.00 0.00 0.00 0.00 61.98 60.41 2iuy s VAL 19 Cb -0.17 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 2iuy s VAL 19 CO 0.11 -0.69 1.20 0.21 0.00 0.00 0.00 175.10 175.92 2iuy s ASN 20 N 2.75 5.08 -0.19 3.32 2.47 0.39 -0.45 114.94 128.32 2iuy s ASN 20 Ca 0.04 2.35 -0.29 0.00 0.42 0.00 0.00 52.86 55.38 2iuy s ASN 20 Cb -0.26 -2.59 -0.04 0.00 -1.45 0.00 0.00 41.25 36.90 2iuy s ASN 20 CO 0.02 -1.66 1.90 -0.51 -3.72 0.00 0.00 177.10 173.13 2iuy s ILE 21 N -1.70 3.32 -0.48 -5.21 2.07 -1.26 -4.48 121.20 113.45 2iuy s ILE 21 Ca 0.76 0.35 -0.28 0.00 -1.41 0.00 0.00 60.65 60.07 2iuy s ILE 21 Cb -0.29 -3.35 0.01 0.00 0.13 0.00 0.00 42.46 38.96 2iuy s ILE 21 CO 0.35 -0.17 1.41 -2.16 -1.91 0.00 0.00 174.94 172.46 2iuy s PRO 22 N 5.33 3.45 -0.11 3.50 0.04 -1.26 -4.93 135.00 141.02 2iuy s PRO 22 Ca 0.85 0.71 -0.05 0.00 0.04 0.00 0.00 61.00 62.55 2iuy s PRO 22 Cb -0.30 -4.07 0.05 0.00 0.04 0.00 0.00 34.50 30.22 2iuy s PRO 22 CO 0.34 -1.73 0.25 -0.51 0.04 0.00 0.00 177.00 175.39 2iuy s LEU 23 N 5.70 0.29 0.38 -3.56 1.02 -1.26 -5.00 118.68 116.25 2iuy s LEU 23 Ca 0.57 0.54 -0.21 0.00 0.02 0.00 0.00 54.13 55.05 2iuy s LEU 23 Cb -0.12 0.75 -0.10 0.00 0.02 0.00 0.00 46.19 46.73 2iuy s LEU 23 CO 0.29 -0.18 0.90 -0.13 0.02 0.00 0.00 176.35 177.26 2iuy s ARG 24 N 1.44 4.28 0.16 1.70 0.52 -1.26 -0.69 118.95 125.09 2iuy s ARG 24 Ca -0.08 1.08 -0.34 0.00 -0.52 0.00 0.00 55.73 55.87 2iuy s ARG 24 Cb -0.11 -2.41 -0.14 0.00 0.52 0.00 0.00 34.95 32.82 2iuy s ARG 24 CO -0.09 0.10 1.49 0.28 0.02 0.00 0.00 175.30 177.10 2iuy n VAL 25 N -0.24 0.20 -1.69 3.52 0.31 0.37 -4.69 118.33 116.12 2iuy n VAL 25 Ca 0.05 -0.05 -0.54 0.00 -0.01 0.00 0.00 64.34 63.78 2iuy n VAL 25 Cb 0.53 -1.37 -0.06 0.00 -0.91 0.00 0.00 33.84 32.02 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 2.94 1.42 -0.84 5.55 -0.02 -1.26 -1.60 135.00 141.20 2iuy n PRO 26 Ca 0.16 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2iuy n PRO 26 Cb 0.27 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 4.02 0.51 3.18 -1.23 0.00 -1.26 -5.02 105.19 105.38 2iuy n GLY 27 Ca 0.24 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.57 0.01 0.18 1.61 0.15 -0.63 -5.04 113.70 107.42 2iuy s SER 28 Ca 0.00 -0.31 0.26 0.00 0.70 0.00 0.00 55.95 56.60 2iuy s SER 28 Cb 0.00 0.28 0.88 0.00 -1.71 0.00 0.00 66.02 65.47 2iuy s SER 28 CO 0.00 -0.53 1.79 0.47 1.20 0.00 0.00 173.24 176.17 2iuy n ASP 29 N 0.81 0.69 -4.76 5.45 8.00 -1.26 -4.42 116.55 121.05 2iuy n ASP 29 Ca -0.19 0.57 -0.39 0.00 0.71 0.00 0.00 54.79 55.48 2iuy n ASP 29 Cb 0.58 -0.75 -0.04 0.00 -0.02 0.00 0.00 41.12 40.89 2iuy n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2iuy s ALA 30 N -3.10 3.32 0.13 2.24 0.00 -1.26 -4.92 121.76 118.16 2iuy s ALA 30 Ca 0.11 0.85 -0.30 0.00 0.00 0.00 0.00 51.96 52.62 2iuy s ALA 30 Cb 0.13 -3.32 -0.06 0.00 0.00 0.00 0.00 23.12 19.87 2iuy s ALA 30 CO 0.57 -0.19 0.94 -1.58 0.00 0.00 0.00 175.76 175.50 2iuy s TRP 31 N -1.29 3.84 0.39 0.00 0.52 -1.26 -0.48 118.94 120.65 2iuy s TRP 31 Ca 0.48 1.79 -0.27 0.00 0.02 0.00 0.00 56.10 58.12 2iuy s TRP 31 Cb -0.30 -3.02 -0.11 0.00 -1.15 0.00 0.00 33.47 28.90 2iuy s TRP 31 CO 0.38 0.26 1.39 -0.89 0.02 0.00 0.00 176.95 178.11 2iuy n ILE 32 N 2.54 2.22 -2.82 2.03 5.41 0.13 -4.71 119.36 124.16 2iuy n ILE 32 Ca 0.01 -0.50 -0.20 0.00 1.00 0.00 0.00 62.75 63.06 2iuy n ILE 32 Cb 0.49 -1.78 0.04 0.00 -0.71 0.00 0.00 39.64 37.68 2iuy n ILE 32 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2iuy s SER 33 N -0.30 5.30 -0.21 4.38 1.04 -1.26 -4.61 113.70 118.04 2iuy s SER 33 Ca 0.56 -0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.70 2iuy s SER 33 Cb -0.50 -0.55 0.04 0.00 0.10 0.00 0.00 66.02 65.10 2iuy s SER 33 CO 0.61 -1.10 -0.16 -0.69 0.98 0.00 0.00 173.24 172.89 2iuy s VAL 34 N -2.63 2.12 0.72 5.02 1.01 -1.26 -1.96 120.40 123.43 2iuy s VAL 34 Ca 0.58 -1.23 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 2iuy s VAL 34 Cb -0.09 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.28 2iuy s VAL 34 CO 0.37 0.30 1.08 -2.16 0.00 0.00 0.00 175.10 174.70 2iuy s PRO 35 N 1.21 2.57 0.44 2.72 0.04 -1.26 -4.37 135.00 136.35 2iuy s PRO 35 Ca -0.01 1.16 -0.20 0.00 0.04 0.00 0.00 61.00 61.99 2iuy s PRO 35 Cb -0.16 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 2iuy s PRO 35 CO -0.10 -1.40 0.95 -1.25 0.04 0.00 0.00 177.00 175.24 2iuy s PRO 36 N -4.75 4.19 0.20 0.56 0.04 -0.83 -4.95 135.00 129.47 2iuy s PRO 36 Ca 0.62 1.09 0.04 0.00 0.04 0.00 0.00 61.00 62.79 2iuy s PRO 36 Cb -0.17 -2.18 0.11 0.00 0.04 0.00 0.00 34.50 32.30 2iuy s PRO 36 CO 0.52 -0.05 1.46 1.96 0.04 0.00 0.00 177.00 180.93 2iuy h GLN 37 N 1.80 0.17 0.00 4.56 4.20 -1.98 -3.44 115.11 120.42 2iuy h GLN 37 Ca -0.49 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.07 2iuy h GLN 37 Cb 1.18 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.00 2iuy h GLN 37 CO 0.61 0.85 0.00 0.41 -0.67 0.00 0.00 178.83 180.03 2iuy n GLY 38 N 0.63 3.15 3.75 3.46 0.00 -1.26 -3.77 105.19 111.16 2iuy n GLY 38 Ca -0.03 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 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 3.97 3.40 0.00 1.61 5.04 -1.26 -4.80 117.35 125.31 2iuy s TYR 39 Ca 0.00 1.53 0.00 0.00 -2.44 0.00 0.00 57.07 56.16 2iuy s TYR 39 Cb 0.00 -3.43 0.00 0.00 0.35 0.00 0.00 41.96 38.88 2iuy s TYR 39 CO 0.00 -1.11 0.00 0.41 -1.34 0.00 0.00 175.55 173.51 2iuy n GLY 40 N 1.47 -1.36 0.50 8.97 0.00 -1.26 -4.98 105.19 108.53 2iuy n GLY 40 Ca 0.01 0.90 -0.18 0.00 0.00 0.00 0.00 46.02 46.75 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 -1.23 1.27 -0.02 0.00 -2.00 -2.59 103.07 98.50 2iuy h GLY 41 Ca 0.00 0.57 0.02 0.00 0.00 0.00 0.00 47.33 47.92 2iuy h GLY 41 CO 0.00 -0.37 0.45 -2.22 0.00 0.00 0.00 176.54 174.40 2iuy h ILE 42 N -1.00 1.14 -0.30 2.60 2.04 -1.97 -1.79 117.51 118.23 2iuy h ILE 42 Ca -0.06 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 2iuy h ILE 42 Cb 0.87 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 2iuy h ILE 42 CO -0.06 0.16 -0.16 1.56 0.00 0.00 0.00 178.15 179.65 2iuy h GLN 43 N 0.87 0.52 -0.36 2.37 7.50 -1.88 -0.11 115.11 124.02 2iuy h GLN 43 Ca 0.26 -0.16 -0.14 0.00 0.50 0.00 0.00 58.65 59.10 2iuy h GLN 43 Cb -0.02 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.45 2iuy h GLN 43 CO -0.07 0.66 -0.33 -1.49 -1.50 0.00 0.00 178.83 176.11 2iuy h TRP 44 N 0.47 1.03 -0.13 2.96 4.06 -0.95 -1.81 115.95 121.60 2iuy h TRP 44 Ca 0.08 -0.30 0.04 0.00 2.06 0.00 0.00 58.89 60.77 2iuy h TRP 44 Cb 0.55 -0.22 -0.04 0.00 -1.00 0.00 0.00 29.16 28.45 2iuy h TRP 44 CO 0.02 1.10 -0.13 0.28 -3.56 0.00 0.00 178.44 176.16 2iuy h VAL 45 N 0.66 0.65 -0.44 1.49 2.07 -0.67 -1.57 116.25 118.43 2iuy h VAL 45 Ca 0.06 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.65 2iuy h VAL 45 Cb 0.92 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 2iuy h VAL 45 CO 0.08 0.00 0.09 0.58 0.02 0.00 0.00 177.57 178.35 2iuy h VAL 46 N -0.15 0.77 -0.59 2.57 2.07 -1.03 0.02 116.25 119.91 2iuy h VAL 46 Ca 0.09 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.61 2iuy h VAL 46 Cb 0.28 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 2iuy h VAL 46 CO -0.22 0.04 0.25 0.00 0.02 0.00 0.00 177.57 177.66 2iuy h ALA 47 N 1.34 0.77 -0.22 1.67 0.00 -1.02 -3.02 119.26 118.78 2iuy h ALA 47 Ca 0.22 0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.99 2iuy h ALA 47 Cb 0.27 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2iuy h ALA 47 CO -0.28 -0.15 -0.66 -0.91 0.00 0.00 0.00 179.25 177.25 2iuy h ASN 48 N 0.46 0.96 0.00 0.00 2.35 -0.91 -1.96 115.58 116.47 2iuy h ASN 48 Ca 0.29 -0.58 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 2iuy h ASN 48 Cb 0.31 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2iuy h ASN 48 CO -0.26 1.37 0.00 -0.11 -1.65 0.00 0.00 177.43 176.78 2iuy n LEU 49 N -3.98 0.46 0.00 1.61 7.94 -0.04 -2.46 117.00 120.53 2iuy n LEU 49 Ca -0.06 -0.23 0.00 0.00 -1.11 0.00 0.00 56.01 54.61 2iuy n LEU 49 Cb 0.69 -0.12 0.00 0.00 0.53 0.00 0.00 43.42 44.52 2iuy n LEU 49 CO 0.52 0.09 0.00 0.47 -1.11 0.00 0.00 177.39 177.35 2iuy n ASP 51 N 0.62 0.00 0.14 1.96 9.92 -0.74 -1.29 116.55 127.16 2iuy n ASP 51 Ca 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.12 2iuy n ASP 51 Cb 0.09 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.49 2iuy n ASP 51 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2iuy h GLY 52 N 0.00 -0.30 1.10 0.44 0.00 -1.68 -1.69 103.07 100.95 2iuy h GLY 52 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 2iuy h GLY 52 CO 0.00 -0.11 0.53 1.41 0.00 0.00 0.00 176.54 178.37 2iuy h LEU 53 N -0.33 1.05 -0.68 3.11 3.38 -1.47 -1.87 115.31 118.50 2iuy h LEU 53 Ca -0.03 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 2iuy h LEU 53 Cb 0.26 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2iuy h LEU 53 CO 0.05 0.80 -0.30 -0.07 0.09 0.00 0.00 178.44 179.01 2iuy h LEU 54 N 1.21 0.72 -1.63 1.67 3.38 -1.74 -2.29 115.31 116.62 2iuy h LEU 54 Ca 0.32 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2iuy h LEU 54 Cb -0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2iuy h LEU 54 CO -0.06 0.97 -0.20 -0.08 0.09 0.00 0.00 178.44 179.16 2iuy h GLU 55 N 0.59 0.00 -0.00 1.13 4.81 -0.79 -1.48 114.58 118.84 2iuy h GLU 55 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2iuy h GLU 55 Cb 0.81 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.19 2iuy h GLU 55 CO 0.07 0.20 -0.05 1.28 -0.73 0.00 0.00 179.01 179.78 2iuy n LEU 56 N -4.16 0.54 0.00 1.64 4.77 -0.75 -4.93 117.00 114.11 2iuy n LEU 56 Ca -0.02 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 2iuy n LEU 56 Cb 0.27 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2iuy n LEU 56 CO 0.36 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 2iuy n GLY 57 N 1.17 0.65 3.86 -0.72 0.00 -0.56 -5.04 105.19 104.56 2iuy n GLY 57 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.59 3.53 -0.15 1.61 3.76 -0.89 -4.79 115.29 115.77 2iuy s HIS 58 Ca 0.00 1.34 -0.15 0.00 -0.15 0.00 0.00 55.06 56.10 2iuy s HIS 58 Cb 0.00 -2.72 -0.05 0.00 1.11 0.00 0.00 32.58 30.93 2iuy s HIS 58 CO 0.00 -0.48 0.34 -2.00 -0.85 0.00 0.00 174.74 171.75 2iuy s GLU 59 N -4.54 4.28 -0.13 1.40 2.12 -0.27 -4.33 118.70 117.22 2iuy s GLU 59 Ca 0.56 0.18 -0.00 0.00 0.36 0.00 0.00 54.97 56.07 2iuy s GLU 59 Cb -0.10 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 2iuy s GLU 59 CO 0.41 0.22 -0.13 0.08 -0.54 0.00 0.00 175.26 175.29 2iuy s VAL 60 N 0.51 2.98 -0.35 3.70 1.01 -0.34 -0.60 120.40 127.30 2iuy s VAL 60 Ca 0.19 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 2iuy s VAL 60 Cb -0.13 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 34.03 2iuy s VAL 60 CO 0.05 0.52 0.15 -0.36 0.00 0.00 0.00 175.10 175.46 2iuy s PHE 61 N 0.44 3.24 -0.29 5.22 0.08 -0.16 -0.86 117.98 125.65 2iuy s PHE 61 Ca -0.10 -1.17 -0.27 0.00 0.12 0.00 0.00 56.93 55.51 2iuy s PHE 61 Cb -0.16 -2.35 0.01 0.00 -0.57 0.00 0.00 43.02 39.95 2iuy s PHE 61 CO 0.05 -0.68 0.99 -1.17 -0.10 0.00 0.00 175.22 174.31 2iuy s LEU 62 N 1.48 4.02 0.15 -0.37 2.96 0.23 -0.84 118.68 126.31 2iuy s LEU 62 Ca 0.00 1.05 0.07 0.00 -0.22 0.00 0.00 54.13 55.04 2iuy s LEU 62 Cb -0.19 -3.42 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 2iuy s LEU 62 CO 0.05 -0.74 -0.03 -0.76 -1.32 0.00 0.00 176.35 173.54 2iuy s LEU 63 N 3.33 3.25 -0.10 -0.68 1.43 0.16 -1.70 118.68 124.37 2iuy s LEU 63 Ca 0.42 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2iuy s LEU 63 Cb -0.14 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.15 2iuy s LEU 63 CO 0.12 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.42 2iuy n GLY 64 N 0.13 0.47 2.48 -3.19 0.00 -0.58 -0.46 105.19 104.05 2iuy n GLY 64 Ca -0.11 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 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 1.02 0.65 0.33 4.61 0.00 -1.26 -4.16 120.51 121.70 2iuy n ALA 65 Ca -0.01 -2.38 0.22 0.00 0.00 0.00 0.00 53.44 51.27 2iuy n ALA 65 Cb 0.04 -1.05 1.14 0.00 0.00 0.00 0.00 19.45 19.58 2iuy n ALA 65 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2iuy h PRO 66 N 2.97 0.00 -0.60 0.00 0.13 -1.78 -2.50 132.00 130.22 2iuy h PRO 66 Ca -0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 2iuy h PRO 66 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 2iuy h PRO 66 CO 0.30 0.00 0.02 0.41 -0.23 0.00 0.00 178.00 178.51 2iuy n GLY 67 N -0.93 3.03 3.79 1.56 0.00 -1.26 -4.78 105.19 106.60 2iuy n GLY 67 Ca -0.02 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.79 6.29 0.25 1.61 0.01 -0.94 -4.95 113.70 115.18 2iuy s SER 68 Ca 0.54 2.06 -0.31 0.00 1.31 0.00 0.00 55.95 59.56 2iuy s SER 68 Cb 0.42 -2.58 -0.14 0.00 0.21 0.00 0.00 66.02 63.93 2iuy s SER 68 CO 0.16 -0.82 1.33 -2.65 0.41 0.00 0.00 173.24 171.67 2iuy n PRO 69 N -0.75 1.90 -4.50 12.44 -0.02 -1.26 -4.97 135.00 137.84 2iuy n PRO 69 Ca 0.08 0.67 -0.32 0.00 -2.02 0.00 0.00 63.50 61.92 2iuy n PRO 69 Cb 0.51 -2.28 -0.16 0.00 -0.02 0.00 0.00 33.50 31.55 2iuy n PRO 69 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2iuy s ALA 70 N -0.31 2.17 0.00 3.55 0.00 -1.26 -4.97 121.76 120.93 2iuy s ALA 70 Ca 0.66 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.56 2iuy s ALA 70 Cb -0.66 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 21.44 2iuy s ALA 70 CO 0.53 -0.12 0.00 -2.13 0.00 0.00 0.00 175.76 174.04 2iuy n ARG 72 N 4.24 0.00 -2.29 0.00 0.63 -1.26 -4.96 116.66 113.02 2iuy n ARG 72 Ca -0.20 0.22 -0.39 0.00 -0.92 0.00 0.00 57.85 56.56 2iuy n ARG 72 Cb 0.51 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.40 2iuy n ARG 72 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2iuy s PRO 73 N -3.49 4.23 0.00 -0.14 0.02 -1.26 -1.89 135.00 132.48 2iuy s PRO 73 Ca 0.00 1.92 0.00 0.00 0.02 0.00 0.00 61.00 62.94 2iuy s PRO 73 Cb 0.00 -2.86 0.00 0.00 0.02 0.00 0.00 34.50 31.66 2iuy s PRO 73 CO 0.00 -0.19 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 2iuy n GLY 74 N 0.77 3.23 3.64 0.52 0.00 -1.26 -5.03 105.19 107.07 2iuy n GLY 74 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 4.10 -0.17 0.99 2.96 -0.79 -1.20 118.68 124.57 2iuy s LEU 75 Ca 0.00 0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.10 2iuy s LEU 75 Cb 0.00 -2.23 0.01 0.00 0.50 0.00 0.00 46.19 44.47 2iuy s LEU 75 CO 0.00 -0.01 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.96 2iuy s THR 76 N 1.36 2.48 -0.40 3.68 2.01 -0.04 -4.78 115.64 119.96 2iuy s THR 76 Ca 0.11 -0.82 -0.18 0.00 0.31 0.00 0.00 61.69 61.11 2iuy s THR 76 Cb -0.14 -2.05 0.01 0.00 0.01 0.00 0.00 72.50 70.33 2iuy s THR 76 CO 0.07 0.52 0.48 -0.69 -0.69 0.00 0.00 174.62 174.30 2iuy s VAL 77 N 1.03 5.04 -0.00 3.82 1.01 -1.26 -0.60 120.40 129.44 2iuy s VAL 77 Ca -0.01 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 2iuy s VAL 77 Cb -0.15 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 2iuy s VAL 77 CO -0.04 -0.36 0.95 -0.69 0.00 0.00 0.00 175.10 174.95 2iuy s VAL 78 N 2.29 4.88 -1.32 2.92 1.01 -0.69 -4.95 120.40 124.53 2iuy s VAL 78 Ca 0.15 1.99 -0.13 0.00 0.00 0.00 0.00 61.98 63.99 2iuy s VAL 78 Cb -0.16 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 2iuy s VAL 78 CO 0.14 0.18 2.38 -0.81 0.00 0.00 0.00 175.10 176.99 2iuy n PRO 79 N 3.85 2.77 -3.74 2.72 -0.04 -1.26 -4.37 135.00 134.94 2iuy n PRO 79 Ca 0.05 -2.19 -0.22 0.00 -0.04 0.00 0.00 63.50 61.09 2iuy n PRO 79 Cb 0.51 -2.96 -0.18 0.00 -0.04 0.00 0.00 33.50 30.83 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 3.22 0.58 -0.05 0.55 0.00 -1.26 -5.02 121.76 119.79 2iuy s ALA 80 Ca 0.55 -0.08 -0.09 0.00 0.00 0.00 0.00 51.96 52.34 2iuy s ALA 80 Cb 0.15 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 2iuy s ALA 80 CO -0.04 -0.53 -0.18 0.41 0.00 0.00 0.00 175.76 175.43 2iuy n GLY 81 N 5.19 -0.29 3.69 0.00 0.00 -1.26 -1.53 105.19 110.99 2iuy n GLY 81 Ca -0.06 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 2iuy n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2iuy n GLU 82 N -3.98 2.16 -0.30 1.61 -0.58 -1.26 -4.64 120.64 113.66 2iuy n GLU 82 Ca -0.08 0.76 0.11 0.00 -0.42 0.00 0.00 57.16 57.54 2iuy n GLU 82 Cb 0.27 -2.41 0.26 0.00 -0.57 0.00 0.00 31.44 29.00 2iuy n GLU 82 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 2iuy h PRO 83 N 3.59 0.14 -0.61 3.49 0.11 -1.94 0.13 132.00 136.91 2iuy h PRO 83 Ca -0.46 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.70 2iuy h PRO 83 Cb 1.27 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 2iuy h PRO 83 CO 0.71 0.09 0.33 0.93 -0.21 0.00 0.00 178.00 179.84 2iuy h GLU 84 N 0.14 0.60 -0.64 1.05 3.07 -1.94 0.26 114.58 117.12 2iuy h GLU 84 Ca 0.53 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 59.29 2iuy h GLU 84 Cb 1.04 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.79 2iuy h GLU 84 CO -0.71 0.40 0.16 0.93 -1.40 0.00 0.00 179.01 178.38 2iuy h GLU 85 N 0.62 1.03 0.07 2.33 5.08 -1.49 -1.21 114.58 121.00 2iuy h GLU 85 Ca 0.27 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2iuy h GLU 85 Cb 0.16 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2iuy h GLU 85 CO -0.17 0.92 -0.03 0.82 -1.00 0.00 0.00 179.01 179.55 2iuy h ILE 86 N 0.95 1.04 -0.50 3.13 2.04 -0.63 -1.32 117.51 122.22 2iuy h ILE 86 Ca 0.20 -0.36 0.06 0.00 1.00 0.00 0.00 64.86 65.76 2iuy h ILE 86 Cb 0.36 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 2iuy h ILE 86 CO 0.00 0.09 0.20 -0.33 0.00 0.00 0.00 178.15 178.11 2iuy h GLU 87 N -0.25 0.39 -0.02 2.37 5.08 -0.41 -1.52 114.58 120.21 2iuy h GLU 87 Ca -0.01 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2iuy h GLU 87 Cb 0.22 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2iuy h GLU 87 CO 0.02 0.26 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.14 2iuy h ARG 88 N 0.40 -0.08 -0.60 2.33 2.43 -1.12 -2.35 114.38 115.38 2iuy h ARG 88 Ca 0.23 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.50 2iuy h ARG 88 Cb 0.22 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.71 2iuy h ARG 88 CO -0.21 -0.05 0.23 2.35 -1.51 0.00 0.00 179.97 180.77 2iuy h TRP 89 N -0.08 0.40 0.00 2.20 7.01 -0.94 -2.85 115.95 121.68 2iuy h TRP 89 Ca 0.03 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 60.99 2iuy h TRP 89 Cb 0.12 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.09 2iuy h TRP 89 CO -0.14 0.10 -0.32 -0.07 -2.79 0.00 0.00 178.44 175.23 2iuy h LEU 90 N 0.41 0.00 -1.35 0.65 3.38 -0.98 -1.98 115.31 115.45 2iuy h LEU 90 Ca 0.30 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.22 2iuy h LEU 90 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2iuy h LEU 90 CO -0.30 0.32 -0.17 -0.09 0.09 0.00 0.00 178.44 178.29 2iuy h ARG 91 N 0.00 0.23 -0.01 1.13 2.43 -1.18 -3.17 114.38 113.81 2iuy h ARG 91 Ca -0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2iuy h ARG 91 Cb 0.67 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2iuy h ARG 91 CO 0.04 0.40 -0.02 0.25 -1.51 0.00 0.00 179.97 179.12 2iuy n THR 92 N -4.24 0.00 -2.08 0.20 -2.24 -1.14 -4.20 114.28 100.58 2iuy n THR 92 Ca -0.01 -0.49 -0.41 0.00 -2.27 0.00 0.00 64.05 60.87 2iuy n THR 92 Cb 0.29 1.12 -0.02 0.00 -2.10 0.00 0.00 70.33 69.62 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 -0.63 3.55 -1.20 6.98 0.00 -0.76 -4.96 121.76 124.75 2iuy s ALA 93 Ca 0.07 1.28 -0.10 0.00 0.00 0.00 0.00 51.96 53.20 2iuy s ALA 93 Cb 0.05 -3.51 0.21 0.00 0.00 0.00 0.00 23.12 19.87 2iuy s ALA 93 CO 0.09 -0.68 1.51 -3.47 0.00 0.00 0.00 175.76 173.22 2iuy n ASP 94 N 1.49 5.40 -4.47 0.00 2.03 -1.26 -4.83 116.55 114.92 2iuy n ASP 94 Ca 0.03 -3.08 -0.24 0.00 0.52 0.00 0.00 54.79 52.01 2iuy n ASP 94 Cb 0.41 -1.47 -0.10 0.00 -0.72 0.00 0.00 41.12 39.24 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 0.14 2.50 0.05 5.18 -7.23 -1.26 -4.94 120.40 114.84 2iuy s VAL 95 Ca 0.38 -2.35 -0.01 0.00 -1.81 0.00 0.00 61.98 58.19 2iuy s VAL 95 Cb 0.00 -2.30 -0.26 0.00 0.56 0.00 0.00 36.38 34.38 2iuy s VAL 95 CO 0.00 -0.37 1.03 0.44 -0.31 0.00 0.00 175.10 175.89 2iuy h ASP 96 N 2.35 0.30 -3.56 4.85 3.32 -1.09 -3.43 116.42 119.17 2iuy h ASP 96 Ca -0.41 -0.37 -0.28 0.00 0.02 0.00 0.00 57.03 55.99 2iuy h ASP 96 Cb 1.25 -0.10 -0.33 0.00 0.22 0.00 0.00 39.33 40.38 2iuy h ASP 96 CO 0.59 1.30 -0.71 -0.69 -1.72 0.00 0.00 179.24 178.00 2iuy s VAL 97 N -2.65 -0.05 -0.28 -1.35 1.01 -1.06 -0.71 120.40 115.32 2iuy s VAL 97 Ca -0.05 0.17 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 2iuy s VAL 97 Cb 0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.35 2iuy s VAL 97 CO 0.86 0.07 0.13 -0.69 0.00 0.00 0.00 175.10 175.47 2iuy s VAL 98 N 0.86 4.71 -0.40 2.92 1.01 0.18 -0.90 120.40 128.78 2iuy s VAL 98 Ca -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2iuy s VAL 98 Cb -0.10 -3.27 0.11 0.00 0.00 0.00 0.00 36.38 33.11 2iuy s VAL 98 CO -0.03 0.23 0.16 -2.28 0.00 0.00 0.00 175.10 173.19 2iuy s HIS 99 N 1.66 3.63 -0.06 5.22 5.04 0.67 -0.78 115.29 130.67 2iuy s HIS 99 Ca 0.06 -2.71 -0.26 0.00 -1.54 0.00 0.00 55.06 50.61 2iuy s HIS 99 Cb -0.16 -3.09 -0.03 0.00 0.04 0.00 0.00 32.58 29.34 2iuy s HIS 99 CO 0.07 -0.94 0.82 0.34 -2.34 0.00 0.00 174.74 172.68 2iuy s ASP 100 N 1.28 7.11 -0.02 9.88 2.15 -0.08 -0.01 116.67 136.99 2iuy s ASP 100 Ca 0.10 1.35 0.06 0.00 0.43 0.00 0.00 52.55 54.49 2iuy s ASP 100 Cb -0.21 -2.47 0.17 0.00 -0.30 0.00 0.00 42.92 40.10 2iuy s ASP 100 CO -0.05 -0.21 1.14 1.41 -0.17 0.00 0.00 175.17 177.28 2iuy n HIS 101 N 4.04 0.24 1.09 -5.34 8.25 0.40 -1.23 115.22 122.68 2iuy n HIS 101 Ca 0.02 -0.55 0.12 0.00 -0.26 0.00 0.00 57.72 57.05 2iuy n HIS 101 Cb 0.51 -0.06 0.17 0.00 1.12 0.00 0.00 29.99 31.73 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 -0.13 1.24 0.00 0.41 3.41 -1.24 -4.28 113.62 113.03 2iuy n SER 102 Ca 0.07 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.69 2iuy n SER 102 Cb 0.38 0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 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 1.41 0.45 0.20 5.00 0.00 -1.26 -4.19 105.19 106.81 2iuy n GLY 103 Ca 0.09 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.84 1.41 0.43 -0.02 0.00 -1.26 -4.31 105.19 98.60 2iuy n GLY 104 Ca 0.00 -0.10 0.24 0.00 0.00 0.00 0.00 46.02 46.16 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 0.59 -3.00 1.61 2.07 -2.00 -3.43 116.25 112.09 2iuy h VAL 105 Ca 0.00 -0.09 -0.45 0.00 0.82 0.00 0.00 66.70 66.98 2iuy h VAL 105 Cb 0.05 0.30 -0.14 0.00 -1.52 0.00 0.00 31.29 29.98 2iuy h VAL 105 CO 0.00 0.05 -0.61 0.27 0.02 0.00 0.00 177.57 177.30 2iuy s ILE 106 N -5.28 1.09 0.29 4.57 -5.25 -1.26 -5.00 121.20 110.35 2iuy s ILE 106 Ca -0.07 -2.00 -0.03 0.00 -0.99 0.00 0.00 60.65 57.56 2iuy s ILE 106 Cb 0.23 -2.77 0.01 0.00 2.95 0.00 0.00 42.46 42.88 2iuy s ILE 106 CO 0.79 -0.00 0.43 0.61 -1.79 0.00 0.00 174.94 174.97 2iuy n GLY 107 N -0.65 2.16 0.23 6.27 0.00 -1.26 -5.00 105.19 106.94 2iuy n GLY 107 Ca -0.02 -1.52 0.09 0.00 0.00 0.00 0.00 46.02 44.57 2iuy n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2iuy h PRO 108 N 0.00 0.00 -6.65 1.61 0.13 -1.98 -3.45 132.00 121.66 2iuy h PRO 108 Ca -0.23 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.38 2iuy h PRO 108 Cb 0.97 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.15 2iuy h PRO 108 CO 0.30 0.22 0.92 0.00 -0.23 0.00 0.00 178.00 179.21 2iuy s ALA 109 N -4.01 3.82 0.00 -0.56 0.00 -1.26 -2.71 121.76 117.04 2iuy s ALA 109 Ca -0.02 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.40 2iuy s ALA 109 Cb 0.12 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2iuy s ALA 109 CO 0.64 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.97 2iuy n GLY 110 N 3.61 2.38 3.76 0.00 0.00 -1.26 -5.05 105.19 108.64 2iuy n GLY 110 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 3.80 0.68 0.99 1.43 -1.10 -4.49 118.68 119.98 2iuy s LEU 111 Ca 0.00 2.41 -0.16 0.00 -1.03 0.00 0.00 54.13 55.34 2iuy s LEU 111 Cb 0.00 -4.45 0.01 0.00 0.03 0.00 0.00 46.19 41.78 2iuy s LEU 111 CO 0.00 -1.37 1.21 -2.84 0.23 0.00 0.00 176.35 173.58 2iuy s PRO 112 N -3.09 2.45 0.14 1.29 0.02 -1.26 -4.90 135.00 129.65 2iuy s PRO 112 Ca 0.72 1.78 -0.34 0.00 0.02 0.00 0.00 61.00 63.19 2iuy s PRO 112 Cb -0.31 -1.87 -0.16 0.00 0.02 0.00 0.00 34.50 32.18 2iuy s PRO 112 CO 0.35 -1.60 1.16 -2.30 -0.33 0.00 0.00 177.00 174.28 2iuy n PRO 113 N -2.32 1.01 0.00 5.54 -0.02 -1.26 -1.84 135.00 136.12 2iuy n PRO 113 Ca 0.14 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2iuy n PRO 113 Cb 0.50 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 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 2.08 3.32 3.69 -1.23 0.00 -1.26 -5.03 105.19 106.75 2iuy n GLY 114 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.47 4.38 0.40 2.61 2.01 -0.77 -4.93 115.64 116.87 2iuy s THR 115 Ca 0.00 1.69 -0.23 0.00 0.31 0.00 0.00 61.69 63.46 2iuy s THR 115 Cb 0.00 -4.09 -0.09 0.00 0.01 0.00 0.00 72.50 68.33 2iuy s THR 115 CO 0.00 0.00 1.01 0.00 -0.69 0.00 0.00 174.62 174.95 2iuy s ALA 116 N 2.15 3.08 -0.10 7.40 0.00 0.11 -4.90 121.76 129.50 2iuy s ALA 116 Ca 0.54 0.61 0.03 0.00 0.00 0.00 0.00 51.96 53.14 2iuy s ALA 116 Cb -0.23 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.66 2iuy s ALA 116 CO 0.21 -0.10 -0.19 0.12 0.00 0.00 0.00 175.76 175.79 2iuy s PHE 117 N -1.77 2.19 0.02 0.00 5.36 -1.26 0.51 117.98 123.03 2iuy s PHE 117 Ca 0.58 -0.92 -0.03 0.00 -0.96 0.00 0.00 56.93 55.60 2iuy s PHE 117 Cb -0.19 -1.51 -0.01 0.00 -0.34 0.00 0.00 43.02 40.97 2iuy s PHE 117 CO 0.24 -0.41 0.04 -1.50 -1.46 0.00 0.00 175.22 172.13 2iuy s ILE 118 N 0.57 0.11 0.10 3.12 2.07 0.04 -4.69 121.20 122.52 2iuy s ILE 118 Ca -0.15 -0.87 0.07 0.00 -1.41 0.00 0.00 60.65 58.30 2iuy s ILE 118 Cb -0.17 -0.40 -0.03 0.00 0.13 0.00 0.00 42.46 41.99 2iuy s ILE 118 CO 0.05 -0.48 -0.18 -0.44 -1.91 0.00 0.00 174.94 171.98 2iuy s SER 119 N -1.52 2.30 -0.36 4.50 0.01 -0.69 -0.90 113.70 117.03 2iuy s SER 119 Ca -0.14 -0.70 -0.07 0.00 1.31 0.00 0.00 55.95 56.34 2iuy s SER 119 Cb -0.08 -0.11 0.05 0.00 0.21 0.00 0.00 66.02 66.08 2iuy s SER 119 CO -0.01 -0.00 0.15 -0.44 0.41 0.00 0.00 173.24 173.35 2iuy s SER 120 N -2.01 5.44 -0.02 2.44 0.01 -0.36 -1.21 113.70 117.99 2iuy s SER 120 Ca 0.06 -1.23 -0.30 0.00 1.31 0.00 0.00 55.95 55.79 2iuy s SER 120 Cb -0.09 -1.91 -0.05 0.00 0.21 0.00 0.00 66.02 64.18 2iuy s SER 120 CO 0.04 -0.39 1.38 -2.28 0.41 0.00 0.00 173.24 172.40 2iuy s HIS 121 N 1.42 2.86 -0.26 2.43 2.46 -0.47 -4.54 115.29 119.19 2iuy s HIS 121 Ca 0.00 0.85 0.15 0.00 0.47 0.00 0.00 55.06 56.53 2iuy s HIS 121 Cb -0.20 -3.64 0.39 0.00 -0.13 0.00 0.00 32.58 29.00 2iuy s HIS 121 CO 0.03 -2.32 1.29 0.72 -2.47 0.00 0.00 174.74 171.98 2iuy n HIS 122 N 5.46 0.54 -4.50 3.88 8.25 -1.26 -4.22 115.22 123.37 2iuy n HIS 122 Ca 0.13 -0.82 -0.24 0.00 -0.26 0.00 0.00 57.72 56.53 2iuy n HIS 122 Cb 0.44 -0.21 -0.11 0.00 1.12 0.00 0.00 29.99 31.24 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 -2.41 2.19 -1.53 4.41 0.08 -1.26 -4.87 117.98 114.58 2iuy s PHE 123 Ca 0.33 -0.68 0.27 0.00 0.12 0.00 0.00 56.93 56.97 2iuy s PHE 123 Cb 0.26 -1.34 0.94 0.00 -0.57 0.00 0.00 43.02 42.31 2iuy s PHE 123 CO 0.08 0.35 1.68 0.25 -0.10 0.00 0.00 175.22 177.48 2iuy n THR 124 N -0.73 0.00 -4.34 0.64 -2.24 -1.26 -4.83 114.28 101.52 2iuy n THR 124 Ca -0.05 -0.07 -0.25 0.00 -2.27 0.00 0.00 64.05 61.41 2iuy n THR 124 Cb 0.65 0.11 -0.09 0.00 -2.10 0.00 0.00 70.33 68.90 2iuy n THR 124 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2iuy s THR 125 N -2.61 3.07 0.14 4.28 -4.23 -1.26 -4.60 115.64 110.43 2iuy s THR 125 Ca 0.23 -1.93 -0.35 0.00 -1.18 0.00 0.00 61.69 58.47 2iuy s THR 125 Cb 0.19 -2.58 -0.15 0.00 1.34 0.00 0.00 72.50 71.30 2iuy s THR 125 CO 0.53 -0.26 1.47 -1.14 -0.54 0.00 0.00 174.62 174.68 2iuy n ARG 126 N -0.40 1.78 -1.73 3.99 0.63 -1.26 -4.88 116.66 114.78 2iuy n ARG 126 Ca -0.08 0.64 -0.40 0.00 -0.92 0.00 0.00 57.85 57.08 2iuy n ARG 126 Cb 0.58 -2.35 0.02 0.00 0.45 0.00 0.00 32.46 31.15 2iuy n ARG 126 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2iuy n PRO 127 N 2.96 2.04 -0.35 -0.14 -0.04 -1.26 -4.90 135.00 133.31 2iuy n PRO 127 Ca 0.17 0.73 0.12 0.00 -0.04 0.00 0.00 63.50 64.48 2iuy n PRO 127 Cb 0.26 -2.51 0.30 0.00 -0.04 0.00 0.00 33.50 31.51 2iuy n PRO 127 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2iuy h VAL 128 N 2.10 0.73 -3.19 0.52 2.07 -1.90 -3.30 116.25 113.28 2iuy h VAL 128 Ca -0.49 -0.27 -0.63 0.00 0.82 0.00 0.00 66.70 66.12 2iuy h VAL 128 Cb 1.28 -0.12 -0.41 0.00 -1.52 0.00 0.00 31.29 30.52 2iuy h VAL 128 CO 0.60 0.14 -0.56 0.20 0.02 0.00 0.00 177.57 177.97 2iuy s ASN 129 N -5.45 4.76 0.51 0.57 0.02 -1.26 -4.95 114.94 109.14 2iuy s ASN 129 Ca -0.11 -3.60 0.30 0.00 -1.02 0.00 0.00 52.86 48.43 2iuy s ASN 129 Cb 0.24 -1.66 1.19 0.00 0.02 0.00 0.00 41.25 41.05 2iuy s ASN 129 CO 0.80 -0.14 1.92 1.55 0.02 0.00 0.00 177.10 181.26 2iuy h PRO 130 N 5.77 0.00 -6.26 -0.60 0.14 -1.96 -3.38 132.00 125.71 2iuy h PRO 130 Ca 0.08 0.00 -0.55 0.00 0.14 0.00 0.00 66.00 65.67 2iuy h PRO 130 Cb 0.80 0.00 -0.02 0.00 0.14 0.00 0.00 31.00 31.92 2iuy h PRO 130 CO 0.72 0.07 0.94 0.08 0.14 0.00 0.00 178.00 179.95 2iuy s VAL 131 N -3.66 3.87 -0.12 1.56 1.01 -1.26 -2.35 120.40 119.44 2iuy s VAL 131 Ca 0.01 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.11 2iuy s VAL 131 Cb 0.09 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2iuy s VAL 131 CO 0.58 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.22 2iuy n GLY 132 N 3.79 0.49 3.83 4.51 0.00 -0.59 -4.83 105.19 112.40 2iuy n GLY 132 Ca 0.15 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.45 2.25 0.01 0.00 -4.23 -0.35 -4.33 115.64 107.55 2iuy s THR 134 Ca 0.39 -2.02 0.07 0.00 -1.18 0.00 0.00 61.69 58.95 2iuy s THR 134 Cb -0.16 -2.07 -0.02 0.00 1.34 0.00 0.00 72.50 71.59 2iuy s THR 134 CO 0.20 -0.16 -0.21 -0.31 -0.54 0.00 0.00 174.62 173.59 2iuy s TYR 135 N -1.75 1.91 -0.60 3.99 2.02 -0.60 -1.37 117.35 120.94 2iuy s TYR 135 Ca 0.20 -0.37 0.25 0.00 -0.37 0.00 0.00 57.07 56.78 2iuy s TYR 135 Cb -0.07 -1.18 0.60 0.00 -0.40 0.00 0.00 41.96 40.90 2iuy s TYR 135 CO 0.09 0.03 1.70 0.66 -1.57 0.00 0.00 175.55 176.46 2iuy h SER 136 N 5.26 0.00 -5.08 2.29 4.64 -1.73 0.31 113.55 119.24 2iuy h SER 136 Ca -0.41 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.80 2iuy h SER 136 Cb 1.15 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.07 2iuy h SER 136 CO 0.46 0.00 -0.41 -0.94 -0.87 0.00 0.00 176.83 175.07 2iuy s SER 137 N -5.29 0.06 0.31 4.97 1.04 -1.21 -3.88 113.70 109.71 2iuy s SER 137 Ca 0.09 -0.42 0.02 0.00 0.48 0.00 0.00 55.95 56.12 2iuy s SER 137 Cb 0.09 0.29 0.59 0.00 0.10 0.00 0.00 66.02 67.09 2iuy s SER 137 CO 0.63 -0.57 1.90 0.03 0.98 0.00 0.00 173.24 176.21 2iuy h ARG 138 N 3.40 0.93 -0.23 4.02 3.08 -1.92 -0.13 114.38 123.53 2iuy h ARG 138 Ca -0.32 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.66 2iuy h ARG 138 Cb 1.19 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 2iuy h ARG 138 CO 0.49 0.61 0.09 0.00 -1.07 0.00 0.00 179.97 180.10 2iuy h ALA 139 N 1.53 0.30 -0.20 0.04 0.00 -1.94 -0.73 119.26 118.26 2iuy h ALA 139 Ca 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2iuy h ALA 139 Cb 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2iuy h ALA 139 CO -0.17 -0.11 0.07 0.37 0.00 0.00 0.00 179.25 179.41 2iuy h GLN 140 N 0.22 0.31 -0.45 0.00 4.15 -1.79 -1.08 115.11 116.46 2iuy h GLN 140 Ca 0.08 -0.06 0.06 0.00 0.77 0.00 0.00 58.65 59.49 2iuy h GLN 140 Cb 0.18 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.77 2iuy h GLN 140 CO -0.01 0.39 0.16 -0.09 -1.93 0.00 0.00 178.83 177.36 2iuy h ARG 141 N 0.16 0.32 -0.47 1.69 2.43 -0.83 0.12 114.38 117.80 2iuy h ARG 141 Ca 0.07 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2iuy h ARG 141 Cb 0.21 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 2iuy h ARG 141 CO -0.00 0.21 0.20 0.00 -1.51 0.00 0.00 179.97 178.87 2iuy h ALA 142 N 1.30 0.60 0.00 2.80 0.00 -0.99 0.46 119.26 123.43 2iuy h ALA 142 Ca 0.21 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2iuy h ALA 142 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2iuy h ALA 142 CO -0.21 0.19 -0.33 0.45 0.00 0.00 0.00 179.25 179.35 2iuy h HIS 143 N 0.61 0.00 -0.00 0.00 3.86 -0.71 -2.68 115.15 116.23 2iuy h HIS 143 Ca 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2iuy h HIS 143 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 2iuy h HIS 143 CO -0.00 0.33 -0.18 0.00 0.86 0.00 0.00 177.93 178.94 2iuy n GLY 145 N 1.34 0.47 3.77 0.00 0.00 -0.76 -4.46 105.19 105.54 2iuy n GLY 145 Ca 0.12 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.98 3.00 0.89 -0.02 0.00 0.08 -5.03 107.32 103.27 2iuy s GLY 146 Ca 0.00 1.23 -0.12 0.00 0.00 0.00 0.00 44.72 45.83 2iuy s GLY 146 CO 0.00 1.88 1.10 -0.32 0.00 0.00 0.00 173.10 175.76 2iuy s GLY 147 N -0.51 1.60 0.47 0.20 0.00 -0.61 -4.68 107.32 103.79 2iuy s GLY 147 Ca 0.49 -0.23 0.32 0.00 0.00 0.00 0.00 44.72 45.29 2iuy s GLY 147 CO 0.52 0.27 1.94 -0.55 0.00 0.00 0.00 173.10 175.28 2iuy h ASP 148 N -1.48 0.00 -0.01 1.64 5.19 -1.96 -2.23 116.42 117.58 2iuy h ASP 148 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2iuy h ASP 148 Cb 1.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.81 2iuy h ASP 148 CO 0.58 0.00 -0.00 -0.67 -3.12 0.00 0.00 179.24 176.02 2iuy n ASP 149 N -2.81 1.11 -4.67 6.45 2.03 -1.26 -4.81 116.55 112.58 2iuy n ASP 149 Ca 0.00 -1.37 -0.42 0.00 0.52 0.00 0.00 54.79 53.53 2iuy n ASP 149 Cb 0.24 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.61 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 -2.00 3.54 0.62 -1.67 0.00 -0.84 -4.88 121.76 116.52 2iuy s ALA 150 Ca 0.40 0.19 -0.19 0.00 0.00 0.00 0.00 51.96 52.37 2iuy s ALA 150 Cb 0.21 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 2iuy s ALA 150 CO 0.35 -0.77 1.27 -2.14 0.00 0.00 0.00 175.76 174.46 2iuy s PRO 151 N 2.46 2.75 -0.22 0.00 0.02 -1.26 -4.82 135.00 133.93 2iuy s PRO 151 Ca 0.43 1.99 -0.01 0.00 0.02 0.00 0.00 61.00 63.43 2iuy s PRO 151 Cb -0.17 -1.91 0.02 0.00 0.02 0.00 0.00 34.50 32.47 2iuy s PRO 151 CO 0.12 -1.42 -0.09 0.08 -0.33 0.00 0.00 177.00 175.35 2iuy s VAL 152 N -1.46 2.75 -0.12 3.83 1.01 -1.26 -1.56 120.40 123.59 2iuy s VAL 152 Ca 0.80 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 2iuy s VAL 152 Cb -0.35 -2.32 0.03 0.00 0.00 0.00 0.00 36.38 33.75 2iuy s VAL 152 CO 0.38 0.33 -0.03 -0.63 0.00 0.00 0.00 175.10 175.15 2iuy s ILE 153 N 1.34 0.73 0.98 2.22 1.01 0.11 -4.95 121.20 122.65 2iuy s ILE 153 Ca 0.02 -0.25 -0.14 0.00 0.00 0.00 0.00 60.65 60.28 2iuy s ILE 153 Cb -0.15 -0.91 0.18 0.00 0.01 0.00 0.00 42.46 41.59 2iuy s ILE 153 CO -0.06 0.19 1.16 -2.16 0.00 0.00 0.00 174.94 174.07 2iuy s PRO 154 N 1.81 0.53 0.16 2.79 0.04 -1.25 -3.91 135.00 135.17 2iuy s PRO 154 Ca 0.03 0.12 -0.31 0.00 0.04 0.00 0.00 61.00 60.88 2iuy s PRO 154 Cb -0.14 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 2iuy s PRO 154 CO -0.07 -2.58 1.50 0.42 0.04 0.00 0.00 177.00 176.31 2iuy s ILE 155 N -3.30 2.84 0.49 0.56 1.01 -1.26 -5.00 121.20 116.54 2iuy s ILE 155 Ca 0.67 0.62 -0.12 0.00 0.00 0.00 0.00 60.65 61.82 2iuy s ILE 155 Cb -0.12 -3.39 -0.06 0.00 0.01 0.00 0.00 42.46 38.89 2iuy s ILE 155 CO 0.54 0.05 0.89 -2.16 0.00 0.00 0.00 174.94 174.26 2iuy s PRO 156 N 0.94 3.77 -0.06 2.79 0.04 -1.26 -4.78 135.00 136.44 2iuy s PRO 156 Ca 0.67 0.64 -0.02 0.00 0.04 0.00 0.00 61.00 62.32 2iuy s PRO 156 Cb -0.41 -2.25 0.04 0.00 0.04 0.00 0.00 34.50 31.91 2iuy s PRO 156 CO 0.32 -0.23 0.12 0.54 0.04 0.00 0.00 177.00 177.80 2iuy s VAL 157 N -2.64 -0.08 -0.41 -0.36 0.11 0.34 -4.78 120.40 112.57 2iuy s VAL 157 Ca 0.54 0.22 -0.19 0.00 -2.93 0.00 0.00 61.98 59.63 2iuy s VAL 157 Cb -0.10 -0.21 0.02 0.00 -1.53 0.00 0.00 36.38 34.55 2iuy s VAL 157 CO 0.37 0.09 0.52 -0.62 -3.33 0.00 0.00 175.10 172.13 2iuy s ASP 158 N 1.36 6.26 0.51 3.54 2.15 -1.26 -1.24 116.67 127.99 2iuy s ASP 158 Ca -0.07 -0.40 0.23 0.00 0.43 0.00 0.00 52.55 52.74 2iuy s ASP 158 Cb -0.12 -2.27 1.34 0.00 -0.30 0.00 0.00 42.92 41.57 2iuy s ASP 158 CO -0.05 -0.62 1.99 -0.65 -0.17 0.00 0.00 175.17 175.67 2iuy h PRO 159 N 8.71 0.06 -0.20 4.34 0.11 -1.94 0.10 132.00 143.19 2iuy h PRO 159 Ca -0.26 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.90 2iuy h PRO 159 Cb 1.11 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2iuy h PRO 159 CO 0.82 0.04 0.20 0.00 -0.21 0.00 0.00 178.00 178.85 2iuy h ALA 160 N 1.73 1.87 -0.00 -0.75 0.00 -1.98 -1.91 119.26 118.22 2iuy h ALA 160 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2iuy h ALA 160 Cb 0.95 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2iuy h ALA 160 CO -0.02 -0.30 -0.07 0.54 0.00 0.00 0.00 179.25 179.40 2iuy n ARG 161 N -3.91 0.09 -4.62 0.00 5.12 0.02 -4.90 116.66 108.47 2iuy n ARG 161 Ca 0.02 -0.01 -0.28 0.00 -1.93 0.00 0.00 57.85 55.65 2iuy n ARG 161 Cb 0.33 -1.50 -0.11 0.00 -1.16 0.00 0.00 32.46 30.02 2iuy n ARG 161 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2iuy s TYR 162 N -2.92 2.42 0.22 -1.55 2.02 -0.72 -5.03 117.35 111.79 2iuy s TYR 162 Ca 0.16 -0.72 -0.30 0.00 -0.37 0.00 0.00 57.07 55.84 2iuy s TYR 162 Cb 0.19 -1.72 -0.09 0.00 -0.40 0.00 0.00 41.96 39.94 2iuy s TYR 162 CO 0.54 0.39 1.30 1.03 -1.57 0.00 0.00 175.55 177.24 2iuy s ARG 163 N -3.74 4.40 0.46 -0.62 1.81 -1.26 -4.98 118.95 115.02 2iuy s ARG 163 Ca 0.33 2.05 0.05 0.00 -1.72 0.00 0.00 55.73 56.44 2iuy s ARG 163 Cb 0.09 -3.18 0.01 0.00 -0.45 0.00 0.00 34.95 31.42 2iuy s ARG 163 CO 0.17 -0.22 0.64 -1.54 -0.68 0.00 0.00 175.30 173.67 2iuy s SER 164 N 0.19 5.57 0.21 0.23 1.04 -1.26 -4.46 113.70 115.21 2iuy s SER 164 Ca 0.55 -0.20 -0.10 0.00 0.48 0.00 0.00 55.95 56.69 2iuy s SER 164 Cb -0.36 -0.87 0.27 0.00 0.10 0.00 0.00 66.02 65.16 2iuy s SER 164 CO 0.40 -0.85 1.75 0.00 0.98 0.00 0.00 173.24 175.51 2iuy h ALA 165 N 0.45 0.78 0.00 5.32 0.00 -1.94 -2.59 119.26 121.27 2iuy h ALA 165 Ca -0.42 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2iuy h ALA 165 Cb 1.28 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2iuy h ALA 165 CO 0.49 -0.19 -0.04 0.00 0.00 0.00 0.00 179.25 179.51 2iuy h ALA 166 N 1.41 1.44 0.00 0.00 0.00 -2.02 -1.70 119.26 118.39 2iuy h ALA 166 Ca 0.30 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2iuy h ALA 166 Cb 0.36 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2iuy h ALA 166 CO -0.30 0.06 -0.10 -0.44 0.00 0.00 0.00 179.25 178.47 2iuy h ASP 167 N 0.00 0.00 -5.93 0.00 3.32 -1.85 -3.46 116.42 108.50 2iuy h ASP 167 Ca -0.00 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.64 2iuy h ASP 167 Cb 0.12 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.78 2iuy h ASP 167 CO 0.01 0.10 -0.71 0.00 -1.72 0.00 0.00 179.24 176.91 2iuy n GLN 168 N -3.67 -7.32 -1.98 3.56 6.02 -0.64 -4.89 117.38 108.46 2iuy n GLN 168 Ca -0.02 0.78 -0.42 0.00 -0.01 0.00 0.00 57.00 57.33 2iuy n GLN 168 Cb 0.21 -5.79 -0.03 0.00 1.02 0.00 0.00 30.24 25.65 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 -3.33 3.33 0.28 5.09 1.01 -1.26 -4.95 120.40 120.57 2iuy s VAL 169 Ca 0.53 0.63 -0.30 0.00 0.00 0.00 0.00 61.98 62.84 2iuy s VAL 169 Cb -0.24 -3.40 -0.10 0.00 0.00 0.00 0.00 36.38 32.63 2iuy s VAL 169 CO 0.75 -0.03 1.43 0.00 0.00 0.00 0.00 175.10 177.25 2iuy s ALA 170 N 3.23 3.60 0.33 5.51 0.00 -1.26 -4.80 121.76 128.37 2iuy s ALA 170 Ca 0.73 1.35 -0.27 0.00 0.00 0.00 0.00 51.96 53.78 2iuy s ALA 170 Cb -0.36 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.11 2iuy s ALA 170 CO 0.31 -0.77 1.02 0.15 0.00 0.00 0.00 175.76 176.47 2iuy s LYS 171 N -0.83 4.49 0.45 0.00 -0.14 -1.26 -4.49 119.74 117.96 2iuy s LYS 171 Ca 0.57 1.54 0.03 0.00 -1.36 0.00 0.00 55.97 56.74 2iuy s LYS 171 Cb -0.42 -2.88 -0.03 0.00 -1.68 0.00 0.00 37.83 32.82 2iuy s LYS 171 CO 0.47 0.15 0.06 -1.21 -0.76 0.00 0.00 175.35 174.07 2iuy s GLU 172 N -1.93 2.02 0.06 1.68 2.02 0.33 -5.05 118.70 117.84 2iuy s GLU 172 Ca 0.50 -2.25 0.24 0.00 0.02 0.00 0.00 54.97 53.48 2iuy s GLU 172 Cb -0.24 -1.07 0.31 0.00 0.10 0.00 0.00 34.13 33.23 2iuy s GLU 172 CO 0.31 -0.39 1.27 -0.25 0.02 0.00 0.00 175.26 176.22 2iuy n ASP 173 N -1.23 0.62 -4.85 -0.19 8.00 -1.26 -3.53 116.55 114.11 2iuy n ASP 173 Ca -0.11 -0.09 -0.32 0.00 0.71 0.00 0.00 54.79 54.98 2iuy n ASP 173 Cb 0.66 0.37 -0.02 0.00 -0.02 0.00 0.00 41.12 42.11 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 -3.12 3.49 0.28 1.24 -0.12 -1.26 -4.65 117.98 113.83 2iuy s PHE 174 Ca 0.07 1.41 0.02 0.00 -0.05 0.00 0.00 56.93 58.38 2iuy s PHE 174 Cb 0.15 -2.78 -0.03 0.00 -0.63 0.00 0.00 43.02 39.73 2iuy s PHE 174 CO 0.74 -0.51 0.44 -0.51 -0.05 0.00 0.00 175.22 175.33 2iuy s LEU 175 N -4.47 4.18 -0.07 -1.99 1.43 0.63 -0.99 118.68 117.39 2iuy s LEU 175 Ca 0.58 0.28 0.02 0.00 -1.03 0.00 0.00 54.13 53.98 2iuy s LEU 175 Cb -0.10 -3.10 0.02 0.00 0.03 0.00 0.00 46.19 43.03 2iuy s LEU 175 CO 0.39 -0.16 -0.10 -0.22 0.23 0.00 0.00 176.35 176.49 2iuy s LEU 176 N -4.00 1.55 0.50 1.79 2.96 -0.18 -1.42 118.68 119.88 2iuy s LEU 176 Ca 0.37 -0.27 0.03 0.00 -0.22 0.00 0.00 54.13 54.05 2iuy s LEU 176 Cb -0.10 -0.76 -0.01 0.00 0.50 0.00 0.00 46.19 45.82 2iuy s LEU 176 CO 0.32 0.00 0.14 0.12 -1.32 0.00 0.00 176.35 175.62 2iuy s PHE 177 N 0.81 1.92 0.00 5.38 5.36 0.20 -0.91 117.98 130.74 2iuy s PHE 177 Ca -0.12 -0.86 0.00 0.00 -0.96 0.00 0.00 56.93 54.99 2iuy s PHE 177 Cb -0.15 -1.75 0.00 0.00 -0.34 0.00 0.00 43.02 40.78 2iuy s PHE 177 CO 0.02 0.03 0.00 0.41 -1.46 0.00 0.00 175.22 174.22 2iuy n GLY 179 N -1.39 -2.28 3.74 13.12 0.00 -0.69 -0.66 105.19 117.02 2iuy n GLY 179 Ca -0.11 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.61 4.31 -1.19 1.61 0.52 -1.26 -3.98 118.95 118.35 2iuy s ARG 180 Ca 0.00 2.20 -0.20 0.00 -0.52 0.00 0.00 55.73 57.21 2iuy s ARG 180 Cb 0.00 -3.16 0.04 0.00 0.52 0.00 0.00 34.95 32.35 2iuy s ARG 180 CO 0.00 -0.39 1.69 0.08 0.02 0.00 0.00 175.30 176.70 2iuy s VAL 181 N 0.29 3.97 0.03 3.52 1.01 -0.07 -4.80 120.40 124.35 2iuy s VAL 181 Ca 0.60 -1.40 0.02 0.00 0.00 0.00 0.00 61.98 61.20 2iuy s VAL 181 Cb -0.40 -5.03 -0.02 0.00 0.00 0.00 0.00 36.38 30.93 2iuy s VAL 181 CO 0.39 -1.84 -0.06 -0.44 0.00 0.00 0.00 175.10 173.14 2iuy s SER 182 N 4.88 0.70 0.23 3.32 0.01 -1.26 -4.35 113.70 117.22 2iuy s SER 182 Ca 0.54 -0.45 -0.07 0.00 1.31 0.00 0.00 55.95 57.28 2iuy s SER 182 Cb 0.02 0.03 0.30 0.00 0.21 0.00 0.00 66.02 66.57 2iuy s SER 182 CO 0.03 -0.16 1.82 -0.65 0.41 0.00 0.00 173.24 174.69 2iuy h PRO 183 N 4.83 0.77 0.00 12.44 0.11 -1.98 0.05 132.00 148.22 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 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2iuy h PRO 183 CO 0.43 0.51 0.00 1.12 -0.21 0.00 0.00 178.00 179.85 2iuy h HIS 184 N 0.79 0.00 -0.00 0.65 2.07 -1.89 -1.03 115.15 115.74 2iuy h HIS 184 Ca 0.34 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.86 2iuy h HIS 184 Cb 0.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.20 2iuy h HIS 184 CO -0.06 0.00 -0.14 1.63 -3.07 0.00 0.00 177.93 176.29 2iuy n LYS 185 N -2.88 0.54 -2.36 5.12 4.76 -0.01 -0.70 118.16 122.63 2iuy n LYS 185 Ca -0.00 -0.19 -0.07 0.00 -2.87 0.00 0.00 58.31 55.18 2iuy n LYS 185 Cb 0.21 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 31.91 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 1.33 0.24 0.36 0.72 0.00 -0.39 -3.14 105.19 104.30 2iuy n GLY 186 Ca 0.13 -0.55 -0.04 0.00 0.00 0.00 0.00 46.02 45.56 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 0.30 1.16 -0.60 4.61 0.00 -1.79 -0.52 119.26 122.42 2iuy h ALA 187 Ca -0.16 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2iuy h ALA 187 Cb 1.11 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2iuy h ALA 187 CO 0.18 0.66 0.22 1.25 0.00 0.00 0.00 179.25 181.56 2iuy h LEU 188 N 1.23 0.84 -0.75 0.00 5.85 -1.91 -1.90 115.31 118.67 2iuy h LEU 188 Ca 0.30 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 2iuy h LEU 188 Cb 0.06 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 2iuy h LEU 188 CO -0.04 0.80 -0.19 -0.33 -0.34 0.00 0.00 178.44 178.33 2iuy h GLU 189 N 0.84 0.75 -0.88 1.25 3.07 -1.77 -0.26 114.58 117.57 2iuy h GLU 189 Ca 0.20 -0.28 0.01 0.00 -0.50 0.00 0.00 59.36 58.78 2iuy h GLU 189 Cb 0.23 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.06 2iuy h GLU 189 CO -0.01 0.88 0.59 0.00 -1.40 0.00 0.00 179.01 179.06 2iuy h ALA 190 N 1.13 1.12 -0.27 3.43 0.00 -0.98 0.13 119.26 123.81 2iuy h ALA 190 Ca 0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2iuy h ALA 190 Cb 0.68 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2iuy h ALA 190 CO 0.05 0.52 0.05 0.00 0.00 0.00 0.00 179.25 179.87 2iuy h ALA 191 N 1.32 0.36 -0.81 0.00 0.00 -0.87 0.17 119.26 119.43 2iuy h ALA 191 Ca 0.32 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2iuy h ALA 191 Cb -0.14 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 2iuy h ALA 191 CO -0.07 0.03 0.52 0.00 0.00 0.00 0.00 179.25 179.73 2iuy h ALA 192 N 0.87 1.06 -0.07 0.00 0.00 -0.91 0.96 119.26 121.17 2iuy h ALA 192 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2iuy h ALA 192 Cb 0.31 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2iuy h ALA 192 CO 0.00 0.34 0.02 0.35 0.00 0.00 0.00 179.25 179.96 2iuy h PHE 193 N 1.01 0.12 -0.75 0.00 3.57 -0.45 -1.26 116.94 119.18 2iuy h PHE 193 Ca 0.32 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.90 2iuy h PHE 193 Cb 0.01 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.64 2iuy h PHE 193 CO -0.03 0.32 0.41 0.00 -2.23 0.00 0.00 178.31 176.78 2iuy h ALA 194 N 0.79 1.05 -0.74 2.41 0.00 -0.45 -1.87 119.26 120.46 2iuy h ALA 194 Ca 0.02 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2iuy h ALA 194 Cb 0.26 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2iuy h ALA 194 CO 0.00 0.03 0.26 1.25 0.00 0.00 0.00 179.25 180.79 2iuy h HIS 195 N 0.70 1.16 -0.46 0.00 -0.00 -0.61 -0.70 115.15 115.24 2iuy h HIS 195 Ca 0.36 -0.10 0.00 0.00 -0.00 0.00 0.00 60.37 60.63 2iuy h HIS 195 Cb 0.34 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.38 2iuy h HIS 195 CO -0.08 0.90 0.30 0.00 -0.00 0.00 0.00 177.93 179.05 2iuy h ALA 196 N 1.13 1.65 0.00 5.26 0.00 -0.74 -1.52 119.26 125.04 2iuy h ALA 196 Ca 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2iuy h ALA 196 Cb 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2iuy h ALA 196 CO -0.01 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.55 2iuy n GLY 198 N 1.25 -0.02 3.53 0.00 0.00 -0.57 -4.93 105.19 104.45 2iuy n GLY 198 Ca 0.06 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 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 -4.49 1.91 0.42 1.61 0.52 -0.36 -5.03 118.95 113.52 2iuy s ARG 199 Ca 0.00 -1.31 -0.24 0.00 -0.52 0.00 0.00 55.73 53.66 2iuy s ARG 199 Cb -0.00 -2.09 -0.08 0.00 0.52 0.00 0.00 34.95 33.30 2iuy s ARG 199 CO 0.00 0.43 1.12 1.03 0.02 0.00 0.00 175.30 177.91 2iuy s ARG 200 N -2.70 4.02 -0.22 3.54 1.81 -1.26 -4.22 118.95 119.91 2iuy s ARG 200 Ca 0.23 1.70 -0.01 0.00 -1.72 0.00 0.00 55.73 55.94 2iuy s ARG 200 Cb -0.09 -2.56 0.02 0.00 -0.45 0.00 0.00 34.95 31.88 2iuy s ARG 200 CO 0.13 -0.32 -0.12 -1.17 -0.68 0.00 0.00 175.30 173.15 2iuy s LEU 201 N -2.69 2.77 -0.05 2.53 2.96 -0.12 -0.27 118.68 123.81 2iuy s LEU 201 Ca 0.59 -0.76 -0.29 0.00 -0.22 0.00 0.00 54.13 53.45 2iuy s LEU 201 Cb -0.27 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 2iuy s LEU 201 CO 0.33 -0.07 0.94 -0.69 -1.32 0.00 0.00 176.35 175.55 2iuy s VAL 202 N 1.31 4.87 -0.54 1.68 1.01 -0.51 0.59 120.40 128.82 2iuy s VAL 202 Ca 0.02 1.95 -0.06 0.00 0.00 0.00 0.00 61.98 63.89 2iuy s VAL 202 Cb -0.15 -4.27 0.14 0.00 0.00 0.00 0.00 36.38 32.10 2iuy s VAL 202 CO -0.08 0.12 0.38 -0.22 0.00 0.00 0.00 175.10 175.31 2iuy s LEU 203 N 1.32 5.53 -0.35 3.92 2.96 -0.47 -0.63 118.68 130.96 2iuy s LEU 203 Ca 0.48 -2.33 -0.09 0.00 -0.22 0.00 0.00 54.13 51.97 2iuy s LEU 203 Cb -0.20 -1.93 0.03 0.00 0.50 0.00 0.00 46.19 44.59 2iuy s LEU 203 CO 0.23 -0.54 0.16 0.00 -1.32 0.00 0.00 176.35 174.89 2iuy s ALA 204 N 0.71 3.19 0.00 5.97 0.00 0.17 -1.38 121.76 130.43 2iuy s ALA 204 Ca 0.11 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.41 2iuy s ALA 204 Cb -0.22 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.46 2iuy s ALA 204 CO -0.03 -1.28 0.00 0.41 0.00 0.00 0.00 175.76 174.86 2iuy n GLY 205 N 4.93 2.43 3.75 0.00 0.00 -0.06 -1.70 105.19 114.55 2iuy n GLY 205 Ca -0.12 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.02 4.33 -0.60 1.61 0.04 -1.26 -2.90 135.00 134.21 2iuy s PRO 206 Ca 0.00 2.21 -0.01 0.00 0.04 0.00 0.00 61.00 63.24 2iuy s PRO 206 Cb 0.00 -3.11 0.15 0.00 0.04 0.00 0.00 34.50 31.58 2iuy s PRO 206 CO 0.00 -0.28 0.39 0.00 0.04 0.00 0.00 177.00 177.15 2iuy s ALA 207 N -0.45 3.51 -0.37 8.56 0.00 -1.26 -0.89 121.76 130.86 2iuy s ALA 207 Ca 0.54 -3.26 0.07 0.00 0.00 0.00 0.00 51.96 49.31 2iuy s ALA 207 Cb -0.40 -2.52 0.64 0.00 0.00 0.00 0.00 23.12 20.84 2iuy s ALA 207 CO 0.46 -2.08 1.75 0.91 0.00 0.00 0.00 175.76 176.80 2iuy n TRP 208 N 3.38 2.30 -3.47 0.00 7.02 -1.26 -4.68 117.44 120.74 2iuy n TRP 208 Ca 0.07 -1.59 -0.28 0.00 -1.02 0.00 0.00 57.50 54.68 2iuy n TRP 208 Cb 0.36 -0.74 -0.11 0.00 -2.42 0.00 0.00 31.31 28.40 2iuy n TRP 208 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2iuy s GLU 209 N -3.20 0.76 0.25 -0.99 2.02 -1.26 -5.03 118.70 111.25 2iuy s GLU 209 Ca 0.53 -1.69 -0.00 0.00 0.02 0.00 0.00 54.97 53.83 2iuy s GLU 209 Cb 0.44 -1.46 0.29 0.00 0.10 0.00 0.00 34.13 33.51 2iuy s GLU 209 CO 0.08 -1.27 1.65 -1.00 0.02 0.00 0.00 175.26 174.75 2iuy h PRO 210 N 6.49 0.56 -0.02 0.39 0.13 -1.94 0.26 132.00 137.88 2iuy h PRO 210 Ca 0.13 -0.24 -0.14 0.00 -0.87 0.00 0.00 66.00 64.87 2iuy h PRO 210 Cb 0.94 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 2iuy h PRO 210 CO 0.33 0.80 -0.66 0.93 -0.23 0.00 0.00 178.00 179.17 2iuy h GLU 211 N 0.48 0.07 -0.09 0.86 3.07 -1.98 0.21 114.58 117.19 2iuy h GLU 211 Ca 0.06 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.83 2iuy h GLU 211 Cb 0.78 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.69 2iuy h GLU 211 CO 0.06 0.70 -0.08 -0.92 -1.40 0.00 0.00 179.01 177.37 2iuy h TYR 212 N 0.05 0.26 -0.59 4.33 3.20 -1.88 -1.36 116.97 120.97 2iuy h TYR 212 Ca -0.01 -0.07 0.12 0.00 3.14 0.00 0.00 58.73 61.90 2iuy h TYR 212 Cb 1.17 -0.06 -0.12 0.00 1.54 0.00 0.00 36.73 39.27 2iuy h TYR 212 CO 0.01 0.63 -0.21 0.35 -1.64 0.00 0.00 178.16 177.30 2iuy h PHE 213 N -0.19 -0.51 -0.39 -3.82 3.57 -0.79 -2.12 116.94 112.69 2iuy h PHE 213 Ca 0.02 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 2iuy h PHE 213 Cb 0.58 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 2iuy h PHE 213 CO 0.08 -0.31 0.10 -0.44 -2.23 0.00 0.00 178.31 175.52 2iuy h ASP 214 N -0.06 0.52 -0.57 0.41 3.32 -0.46 -2.08 116.42 117.51 2iuy h ASP 214 Ca 0.27 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 2iuy h ASP 214 Cb 0.49 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2iuy h ASP 214 CO -0.64 0.52 -0.01 -0.08 -1.72 0.00 0.00 179.24 177.32 2iuy h GLU 215 N 0.56 1.03 -0.38 3.56 4.81 -0.89 0.12 114.58 123.39 2iuy h GLU 215 Ca 0.13 -0.32 0.01 0.00 -0.13 0.00 0.00 59.36 59.06 2iuy h GLU 215 Cb 0.21 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2iuy h GLU 215 CO -0.00 1.01 0.23 0.82 -0.73 0.00 0.00 179.01 180.33 2iuy h ILE 216 N 0.94 1.05 -0.01 2.32 2.04 -0.98 0.51 117.51 123.39 2iuy h ILE 216 Ca 0.17 -0.16 -0.22 0.00 1.00 0.00 0.00 64.86 65.65 2iuy h ILE 216 Cb 0.55 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 2iuy h ILE 216 CO 0.03 0.08 -0.91 0.71 0.00 0.00 0.00 178.15 178.06 2iuy h THR 217 N 0.46 1.42 -0.03 -0.27 1.35 -1.17 0.43 112.91 115.10 2iuy h THR 217 Ca 0.15 -2.46 0.02 0.00 -0.55 0.00 0.00 66.41 63.57 2iuy h THR 217 Cb -0.00 2.40 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 2iuy h THR 217 CO -0.06 0.73 -0.08 -0.09 -0.25 0.00 0.00 175.52 175.76 2iuy h ARG 218 N 0.21 -0.12 0.08 4.72 2.43 -0.68 -0.98 114.38 120.03 2iuy h ARG 218 Ca -0.07 0.01 -0.25 0.00 -0.81 0.00 0.00 59.98 58.86 2iuy h ARG 218 Cb 1.54 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.11 2iuy h ARG 218 CO 0.15 -0.08 -1.14 0.00 -1.51 0.00 0.00 179.97 177.39 2iuy h ARG 219 N -0.13 0.20 -0.20 0.20 3.08 -0.67 -3.40 114.38 113.45 2iuy h ARG 219 Ca 0.04 -0.32 -0.21 0.00 0.07 0.00 0.00 59.98 59.56 2iuy h ARG 219 Cb 0.19 0.12 -0.36 0.00 0.08 0.00 0.00 29.97 29.99 2iuy h ARG 219 CO -0.11 1.14 -1.01 0.66 -1.07 0.00 0.00 179.97 179.58 2iuy n TYR 220 N -3.50 0.63 -0.08 3.04 4.01 0.15 -4.92 117.16 116.48 2iuy n TYR 220 Ca -0.06 -1.28 0.00 0.00 -0.16 0.00 0.00 57.90 56.40 2iuy n TYR 220 Cb 0.98 -0.20 0.29 0.00 -0.31 0.00 0.00 39.34 40.10 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 1.66 0.76 2.00 2.72 0.00 -1.25 0.91 103.07 109.87 2iuy h GLY 221 Ca -0.14 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2iuy h GLY 221 CO 0.16 0.34 0.00 1.48 0.00 0.00 0.00 176.54 178.52 2iuy h SER 222 N 0.70 0.00 0.07 0.19 4.64 -1.91 -3.20 113.55 114.03 2iuy h SER 222 Ca 0.17 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.18 2iuy h SER 222 Cb 0.11 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 2iuy h SER 222 CO -0.02 0.00 -1.70 0.41 -0.87 0.00 0.00 176.83 174.65 2iuy n THR 223 N -2.65 1.67 -3.01 2.95 -1.04 0.19 -4.92 114.28 107.47 2iuy n THR 223 Ca 0.02 -0.38 -0.40 0.00 -2.04 0.00 0.00 64.05 61.26 2iuy n THR 223 Cb 0.29 -1.87 -0.05 0.00 -1.82 0.00 0.00 70.33 66.87 2iuy n THR 223 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2iuy s VAL 224 N -2.47 4.67 -0.60 12.58 -7.23 -0.46 -0.95 120.40 125.94 2iuy s VAL 224 Ca -0.26 1.59 0.03 0.00 -1.81 0.00 0.00 61.98 61.53 2iuy s VAL 224 Cb 0.07 -4.09 0.15 0.00 0.56 0.00 0.00 36.38 33.06 2iuy s VAL 224 CO 0.68 0.41 0.37 -0.70 -0.31 0.00 0.00 175.10 175.55 2iuy s GLU 225 N -0.34 2.25 -0.00 4.82 2.12 0.20 -4.88 118.70 122.87 2iuy s GLU 225 Ca 0.37 -2.79 -0.30 0.00 0.36 0.00 0.00 54.97 52.61 2iuy s GLU 225 Cb -0.21 -3.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 2iuy s GLU 225 CO 0.23 -1.16 0.97 -2.14 -0.54 0.00 0.00 175.26 172.61 2iuy s PRO 226 N -0.55 4.55 0.00 4.30 0.02 -1.26 -1.36 135.00 140.70 2iuy s PRO 226 Ca 0.19 1.40 0.00 0.00 0.02 0.00 0.00 61.00 62.61 2iuy s PRO 226 Cb -0.20 -3.46 0.00 0.00 0.02 0.00 0.00 34.50 30.86 2iuy s PRO 226 CO -0.04 -0.04 0.71 0.44 -0.33 0.00 0.00 177.00 177.73 2iuy n ILE 227 N 3.89 0.44 -4.16 2.83 -5.35 -0.48 -4.92 119.36 111.62 2iuy n ILE 227 Ca 0.06 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 2iuy n ILE 227 Cb 0.51 0.79 -0.00 0.00 -1.74 0.00 0.00 39.64 39.20 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 -0.22 -1.71 3.71 3.28 0.00 -1.26 -4.86 105.19 104.13 2iuy n GLY 228 Ca 0.00 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.80 2.12 -4.36 1.61 2.13 -1.14 -0.88 120.64 119.32 2iuy n GLU 229 Ca 0.00 0.75 -0.19 0.00 0.66 0.00 0.00 57.16 58.38 2iuy n GLU 229 Cb 0.01 -2.38 -0.10 0.00 0.27 0.00 0.00 31.44 29.25 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 -1.13 1.57 0.15 6.31 -7.23 -1.26 -4.81 120.40 114.00 2iuy s VAL 230 Ca 0.57 -2.15 -0.22 0.00 -1.81 0.00 0.00 61.98 58.37 2iuy s VAL 230 Cb -0.54 -2.19 0.08 0.00 0.56 0.00 0.00 36.38 34.29 2iuy s VAL 230 CO 0.61 -0.48 1.06 0.61 -0.31 0.00 0.00 175.10 176.58 2iuy n GLY 231 N -0.43 0.54 7.00 2.32 0.00 -1.26 -4.10 105.19 109.26 2iuy n GLY 231 Ca -0.07 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.75 2.26 0.21 -0.02 0.00 -1.25 -2.69 105.19 102.95 2iuy n GLY 232 Ca -0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 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 0.65 -0.51 1.61 4.39 -2.00 -2.92 114.58 115.80 2iuy h GLU 233 Ca 0.00 -0.08 0.07 0.00 0.34 0.00 0.00 59.36 59.69 2iuy h GLU 233 Cb 0.00 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.46 2iuy h GLU 233 CO 0.00 0.51 0.19 -0.09 -1.16 0.00 0.00 179.01 178.46 2iuy h ARG 234 N 0.61 0.36 -0.51 2.33 2.43 -1.99 -1.61 114.38 116.00 2iuy h ARG 234 Ca 0.16 -0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.41 2iuy h ARG 234 Cb 0.05 -0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 29.43 2iuy h ARG 234 CO -0.03 0.24 -0.02 -0.09 -1.51 0.00 0.00 179.97 178.57 2iuy h ARG 235 N 0.37 0.10 -0.45 0.20 2.43 -1.34 0.88 114.38 116.56 2iuy h ARG 235 Ca 0.25 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 2iuy h ARG 235 Cb 0.26 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2iuy h ARG 235 CO -0.25 0.06 0.23 -0.07 -1.51 0.00 0.00 179.97 178.43 2iuy h LEU 236 N 0.10 0.59 -0.77 3.80 3.38 -1.28 -2.26 115.31 118.87 2iuy h LEU 236 Ca 0.26 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.16 2iuy h LEU 236 Cb 0.39 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 2iuy h LEU 236 CO -0.44 0.54 0.47 0.44 0.09 0.00 0.00 178.44 179.54 2iuy h ASP 237 N 0.59 0.74 -0.49 -0.43 3.32 -0.82 -2.74 116.42 116.58 2iuy h ASP 237 Ca 0.16 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 2iuy h ASP 237 Cb 0.10 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2iuy h ASP 237 CO -0.02 0.49 0.19 -0.07 -1.72 0.00 0.00 179.24 178.10 2iuy h LEU 238 N 0.88 0.69 -0.83 1.55 3.38 -0.56 0.20 115.31 120.61 2iuy h LEU 238 Ca 0.33 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.20 2iuy h LEU 238 Cb 0.13 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 2iuy h LEU 238 CO -0.16 0.68 0.49 -0.07 0.09 0.00 0.00 178.44 179.48 2iuy h LEU 239 N 0.66 0.73 0.12 1.67 3.38 -1.36 -2.09 115.31 118.42 2iuy h LEU 239 Ca 0.16 0.04 -0.31 0.00 0.09 0.00 0.00 57.88 57.86 2iuy h LEU 239 Cb 0.22 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2iuy h LEU 239 CO -0.01 0.44 -1.57 0.00 0.09 0.00 0.00 178.44 177.39 2iuy h ALA 240 N 1.43 0.29 0.00 1.53 0.00 -1.21 -3.36 119.26 117.93 2iuy h ALA 240 Ca 0.38 -1.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.07 2iuy h ALA 240 Cb 0.29 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2iuy h ALA 240 CO -0.22 1.15 -0.54 0.66 0.00 0.00 0.00 179.25 180.30 2iuy h SER 241 N 0.07 0.00 -3.61 0.00 4.64 -0.90 -3.45 113.55 110.29 2iuy h SER 241 Ca -0.26 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.50 2iuy h SER 241 Cb 2.02 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 64.28 2iuy h SER 241 CO 0.16 0.41 0.06 0.00 -0.87 0.00 0.00 176.83 176.59 2iuy n ALA 242 N -2.22 -0.12 -0.02 5.18 0.00 -0.79 -0.51 120.51 122.02 2iuy n ALA 242 Ca 0.01 -0.08 -0.17 0.00 0.00 0.00 0.00 53.44 53.19 2iuy n ALA 242 Cb 0.71 -2.09 -0.07 0.00 0.00 0.00 0.00 19.45 18.00 2iuy n ALA 242 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2iuy h HIS 243 N 0.14 1.09 -2.87 0.00 -0.00 -1.11 -3.43 115.15 108.96 2iuy h HIS 243 Ca -0.48 -0.48 -0.05 0.00 -0.00 0.00 0.00 60.37 59.36 2iuy h HIS 243 Cb 1.36 -0.17 -0.15 0.00 -0.00 0.00 0.00 27.41 28.45 2iuy h HIS 243 CO 0.37 1.32 0.07 0.00 -0.00 0.00 0.00 177.93 179.70 2iuy s ALA 244 N -3.75 -1.36 -0.08 5.26 0.00 -1.26 -4.47 121.76 116.09 2iuy s ALA 244 Ca -0.10 0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.34 2iuy s ALA 244 Cb 0.09 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 2iuy s ALA 244 CO 0.91 -0.58 0.07 0.08 0.00 0.00 0.00 175.76 176.23 2iuy s VAL 245 N -2.90 4.84 -0.30 0.00 1.01 -0.63 -1.01 120.40 121.42 2iuy s VAL 245 Ca -0.03 -0.10 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 2iuy s VAL 245 Cb -0.00 -3.10 0.03 0.00 0.00 0.00 0.00 36.38 33.31 2iuy s VAL 245 CO -0.05 0.56 0.04 -0.76 0.00 0.00 0.00 175.10 174.89 2iuy s LEU 246 N -1.10 3.81 0.09 3.92 1.43 -0.09 -0.60 118.68 126.14 2iuy s LEU 246 Ca 0.16 -0.95 0.03 0.00 -1.03 0.00 0.00 54.13 52.34 2iuy s LEU 246 Cb -0.12 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 2iuy s LEU 246 CO 0.05 -0.22 0.09 0.00 0.23 0.00 0.00 176.35 176.50 2iuy s ALA 247 N 1.39 3.58 0.00 4.21 0.00 -0.43 -4.63 121.76 125.89 2iuy s ALA 247 Ca -0.00 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.93 2iuy s ALA 247 Cb -0.18 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.50 2iuy s ALA 247 CO 0.00 0.73 0.00 0.43 0.00 0.00 0.00 175.76 176.92 2iuy n SER 249 N 0.36 0.00 -4.56 0.00 7.64 -1.19 -1.95 113.62 113.92 2iuy n SER 249 Ca -0.08 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.52 2iuy n SER 249 Cb 0.52 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.62 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 -4.31 2.04 -1.18 1.43 -1.52 0.12 -4.48 119.66 111.76 2iuy s GLN 250 Ca 0.00 -1.18 -0.10 0.00 -1.95 0.00 0.00 55.36 52.13 2iuy s GLN 250 Cb 0.00 -2.20 0.22 0.00 -0.22 0.00 0.00 33.01 30.81 2iuy s GLN 250 CO 0.00 0.46 1.43 0.00 -0.25 0.00 0.00 175.29 176.93 2iuy n ALA 251 N 0.35 4.41 -2.51 6.09 0.00 -1.26 -4.58 120.51 123.01 2iuy n ALA 251 Ca -0.12 -4.46 -0.24 0.00 0.00 0.00 0.00 53.44 48.62 2iuy n ALA 251 Cb 0.54 -2.78 -0.11 0.00 0.00 0.00 0.00 19.45 17.11 2iuy n ALA 251 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2iuy s VAL 252 N -0.05 1.58 -0.29 0.00 -7.23 -1.26 -4.82 120.40 108.34 2iuy s VAL 252 Ca 0.37 -2.02 -0.37 0.00 -1.81 0.00 0.00 61.98 58.15 2iuy s VAL 252 Cb -0.02 -2.82 -0.13 0.00 0.56 0.00 0.00 36.38 33.97 2iuy s VAL 252 CO -0.01 -0.04 1.97 0.41 -0.31 0.00 0.00 175.10 177.12 2iuy n THR 253 N -0.78 0.30 -1.05 5.32 -1.04 -1.26 0.30 114.28 116.06 2iuy n THR 253 Ca -0.04 -0.15 -0.29 0.00 -2.04 0.00 0.00 64.05 61.54 2iuy n THR 253 Cb 0.66 -1.49 0.19 0.00 -1.82 0.00 0.00 70.33 67.88 2iuy n THR 253 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2iuy s GLY 254 N 5.30 1.56 0.49 3.41 0.00 -1.26 -4.77 107.32 112.05 2iuy s GLY 254 Ca 1.03 -0.33 0.16 0.00 0.00 0.00 0.00 44.72 45.58 2iuy s GLY 254 CO 0.57 0.31 2.07 -0.56 0.00 0.00 0.00 173.10 175.49 2iuy h PRO 255 N -2.05 0.16 0.00 2.90 0.13 -1.99 -3.39 132.00 127.76 2iuy h PRO 255 Ca -0.56 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2iuy h PRO 255 Cb 1.33 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2iuy h PRO 255 CO 0.56 0.11 0.00 0.91 -0.23 0.00 0.00 178.00 179.35 2iuy n TRP 256 N -4.48 0.00 0.00 1.56 8.01 -1.26 -4.98 117.44 116.28 2iuy n TRP 256 Ca 0.03 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.22 2iuy n TRP 256 Cb 0.24 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.54 2iuy n TRP 256 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2iuy n GLY 257 N 5.00 0.00 0.77 6.99 0.00 -1.26 -4.98 105.19 111.71 2iuy n GLY 257 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -3.69 3.75 -0.02 0.00 -1.26 -4.44 105.19 99.52 2iuy n GLY 258 Ca 0.00 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.23 3.46 0.32 -0.61 1.01 -1.26 -4.70 121.20 116.19 2iuy s ILE 259 Ca 0.00 1.35 -0.29 0.00 0.00 0.00 0.00 60.65 61.71 2iuy s ILE 259 Cb 0.00 -3.86 -0.12 0.00 0.01 0.00 0.00 42.46 38.49 2iuy s ILE 259 CO 0.00 0.27 1.50 1.87 0.00 0.00 0.00 174.94 178.59 2iuy n TRP 260 N 1.76 2.77 -3.40 3.97 -0.00 0.15 -4.75 117.44 117.94 2iuy n TRP 260 Ca 0.01 0.37 -0.18 0.00 -0.00 0.00 0.00 57.50 57.71 2iuy n TRP 260 Cb 0.44 -2.54 -0.10 0.00 -0.00 0.00 0.00 31.31 29.12 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 5.12 1.17 -0.05 0.00 4.07 -1.26 -4.75 120.64 124.94 2iuy n GLU 262 Ca 0.00 0.37 -0.10 0.00 -0.06 0.00 0.00 57.16 57.37 2iuy n GLU 262 Cb 0.46 -2.33 -0.04 0.00 -0.06 0.00 0.00 31.44 29.46 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 10.39 0.26 0.00 5.31 0.11 -1.89 0.21 132.00 146.39 2iuy h PRO 263 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2iuy h PRO 263 Cb 1.32 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2iuy h PRO 263 CO 1.00 0.27 0.00 0.41 -0.21 0.00 0.00 178.00 179.46 2iuy n GLY 264 N -0.90 0.02 3.18 -0.55 0.00 -1.26 -3.32 105.19 102.36 2iuy n GLY 264 Ca -0.04 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.62 -2.70 0.17 4.61 0.00 -1.26 -4.71 120.51 115.99 2iuy n ALA 265 Ca 0.00 0.53 0.17 0.00 0.00 0.00 0.00 53.44 54.14 2iuy n ALA 265 Cb 0.00 -2.53 0.78 0.00 0.00 0.00 0.00 19.45 17.70 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 1.39 0.58 0.00 0.00 1.03 -1.98 -2.54 112.91 111.39 2iuy h THR 266 Ca -0.22 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.15 2iuy h THR 266 Cb 1.15 0.83 -0.00 0.00 -1.07 0.00 0.00 68.15 69.06 2iuy h THR 266 CO 0.25 0.00 -0.15 1.62 -0.01 0.00 0.00 175.52 177.24 2iuy h VAL 267 N 0.00 0.61 -0.03 0.00 3.04 -1.99 -2.49 116.25 115.40 2iuy h VAL 267 Ca 0.11 -0.64 -0.01 0.00 -1.01 0.00 0.00 66.70 65.15 2iuy h VAL 267 Cb 0.55 1.41 -0.00 0.00 -2.01 0.00 0.00 31.29 31.24 2iuy h VAL 267 CO -0.00 0.14 -0.02 0.58 -1.01 0.00 0.00 177.57 177.26 2iuy h VAL 268 N 0.00 1.35 -0.36 1.51 2.07 -1.80 0.20 116.25 119.22 2iuy h VAL 268 Ca -0.00 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.38 2iuy h VAL 268 Cb 0.40 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2iuy h VAL 268 CO 0.02 0.29 -0.02 0.77 0.02 0.00 0.00 177.57 178.64 2iuy h SER 269 N -0.35 0.64 0.04 0.57 4.64 -1.68 -1.22 113.55 116.19 2iuy h SER 269 Ca 0.01 -0.33 0.02 0.00 -0.47 0.00 0.00 61.79 61.03 2iuy h SER 269 Cb 0.48 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.36 2iuy h SER 269 CO 0.01 0.81 -0.22 -0.33 -0.87 0.00 0.00 176.83 176.23 2iuy h GLU 270 N 0.45 -0.36 -0.03 4.77 5.08 -1.44 -0.26 114.58 122.80 2iuy h GLU 270 Ca 0.10 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 2iuy h GLU 270 Cb 0.50 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 2iuy h GLU 270 CO 0.02 -0.24 -0.39 0.00 -1.00 0.00 0.00 179.01 177.41 2iuy h ALA 271 N 0.47 -0.59 -0.64 3.43 0.00 -0.55 -2.43 119.26 118.95 2iuy h ALA 271 Ca 0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2iuy h ALA 271 Cb 0.43 0.69 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2iuy h ALA 271 CO -0.17 -0.91 0.06 0.00 0.00 0.00 0.00 179.25 178.23 2iuy h ALA 272 N 0.09 0.86 0.00 0.00 0.00 -1.01 -0.72 119.26 118.48 2iuy h ALA 272 Ca 0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2iuy h ALA 272 Cb 0.62 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2iuy h ALA 272 CO -0.32 0.66 -0.14 -0.24 0.00 0.00 0.00 179.25 179.21 2iuy h VAL 273 N 1.01 0.40 -0.10 0.00 3.04 -1.08 -0.72 116.25 118.79 2iuy h VAL 273 Ca 0.19 -0.82 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 2iuy h VAL 273 Cb 0.49 1.59 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 2iuy h VAL 273 CO 0.02 0.14 0.00 -1.20 -1.01 0.00 0.00 177.57 175.52 2iuy n SER 274 N -3.35 0.92 0.00 3.17 7.64 -0.61 -4.77 113.62 116.61 2iuy n SER 274 Ca -0.00 -1.63 0.00 0.00 1.01 0.00 0.00 58.87 58.25 2iuy n SER 274 Cb 0.35 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 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 0.95 0.72 2.99 0.23 0.00 -0.31 -4.32 105.19 105.46 2iuy n GLY 275 Ca 0.14 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.00 1.31 0.83 2.61 2.01 -0.37 -4.06 115.64 115.97 2iuy s THR 276 Ca 0.00 -0.50 -0.12 0.00 0.31 0.00 0.00 61.69 61.38 2iuy s THR 276 Cb 0.00 -1.24 0.09 0.00 0.01 0.00 0.00 72.50 71.36 2iuy s THR 276 CO 0.00 0.41 1.11 -2.16 -0.69 0.00 0.00 174.62 173.29 2iuy s PRO 277 N 1.29 1.82 -0.10 4.92 0.04 -1.26 -2.72 135.00 138.99 2iuy s PRO 277 Ca -0.01 0.50 0.04 0.00 0.04 0.00 0.00 61.00 61.56 2iuy s PRO 277 Cb -0.14 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2iuy s PRO 277 CO -0.05 -1.78 -0.22 0.08 0.04 0.00 0.00 177.00 175.07 2iuy s VAL 278 N -3.22 1.91 -0.22 -0.36 1.01 -0.01 -1.60 120.40 117.91 2iuy s VAL 278 Ca 0.62 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 61.51 2iuy s VAL 278 Cb -0.14 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 2iuy s VAL 278 CO 0.54 0.53 0.40 -0.69 0.00 0.00 0.00 175.10 175.88 2iuy s VAL 279 N 0.45 5.18 0.12 2.92 1.01 0.23 -1.89 120.40 128.43 2iuy s VAL 279 Ca -0.17 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.51 2iuy s VAL 279 Cb -0.17 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2iuy s VAL 279 CO 0.07 0.22 0.00 -0.83 0.00 0.00 0.00 175.10 174.56 2iuy s GLY 280 N 1.17 0.93 0.53 4.51 0.00 -0.78 -1.31 107.32 112.36 2iuy s GLY 280 Ca 0.19 -1.44 -0.09 0.00 0.00 0.00 0.00 44.72 43.38 2iuy s GLY 280 CO 0.08 -1.43 0.68 -1.30 0.00 0.00 0.00 173.10 171.14 2iuy n THR 281 N -0.09 0.00 -0.70 0.90 -2.24 -0.82 0.02 114.28 111.34 2iuy n THR 281 Ca -0.09 -0.48 0.08 0.00 -2.27 0.00 0.00 64.05 61.30 2iuy n THR 281 Cb 0.62 -1.66 0.32 0.00 -2.10 0.00 0.00 70.33 67.51 2iuy n THR 281 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2iuy n GLY 282 N 0.22 3.08 3.69 3.38 0.00 -1.25 -4.27 105.19 110.03 2iuy n GLY 282 Ca 0.09 -0.85 -0.44 0.00 0.00 0.00 0.00 46.02 44.82 2iuy n GLY 282 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2iuy n ASN 283 N 0.61 3.77 0.00 1.61 2.85 -1.26 -3.52 115.26 119.32 2iuy n ASN 283 Ca 0.24 1.01 0.00 0.00 -0.11 0.00 0.00 54.58 55.72 2iuy n ASN 283 Cb 0.89 -1.50 0.00 0.00 1.24 0.00 0.00 39.78 40.41 2iuy n ASN 283 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2iuy n GLY 284 N 4.06 3.02 0.34 8.20 0.00 -1.26 -0.61 105.19 118.94 2iuy n GLY 284 Ca 0.18 -0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.37 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 0.45 -1.43 0.00 3.38 -1.10 -0.43 115.31 116.18 2iuy h LEU 286 Ca 0.07 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.13 2iuy h LEU 286 Cb 0.46 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 2iuy h LEU 286 CO -0.00 0.30 0.48 0.00 0.09 0.00 0.00 178.44 179.30 2iuy h ALA 287 N 1.70 1.81 0.00 1.53 0.00 -1.54 -1.11 119.26 121.65 2iuy h ALA 287 Ca 0.24 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 2iuy h ALA 287 Cb 0.29 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2iuy h ALA 287 CO -0.07 0.05 -1.16 0.93 0.00 0.00 0.00 179.25 179.00 2iuy h GLU 288 N 0.65 0.00 0.00 0.00 5.08 -1.30 -3.42 114.58 115.59 2iuy h GLU 288 Ca 0.33 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.61 2iuy h GLU 288 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2iuy h GLU 288 CO -0.11 0.41 -1.30 0.44 -1.00 0.00 0.00 179.01 177.45 2iuy n ILE 289 N -3.02 0.30 -0.27 3.13 -5.35 -0.78 -4.72 119.36 108.65 2iuy n ILE 289 Ca -0.06 -0.17 -0.04 0.00 -0.27 0.00 0.00 62.75 62.20 2iuy n ILE 289 Cb 0.83 -0.85 0.07 0.00 -1.74 0.00 0.00 39.64 37.95 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 1.18 0.00 7.28 2.07 -1.43 -2.69 116.25 122.65 2iuy h VAL 290 Ca -0.12 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 2iuy h VAL 290 Cb 1.25 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2iuy h VAL 290 CO 0.00 0.18 -0.02 -0.65 0.02 0.00 0.00 177.57 177.10 2iuy h PRO 291 N 1.00 0.00 0.00 1.57 0.11 -1.78 0.78 132.00 133.68 2iuy h PRO 291 Ca 0.28 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.35 2iuy h PRO 291 Cb -0.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.01 2iuy h PRO 291 CO -0.07 0.02 -0.16 0.77 -0.21 0.00 0.00 178.00 178.35 2iuy h SER 292 N 0.00 0.00 0.00 -2.05 0.02 -1.77 -3.33 113.55 106.42 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 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2iuy h SER 292 CO 0.00 0.16 -0.40 1.33 -1.14 0.00 0.00 176.83 176.78 2iuy n VAL 293 N -3.83 0.18 0.00 2.27 0.24 0.07 -4.91 118.33 112.34 2iuy n VAL 293 Ca -0.02 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 2iuy n VAL 293 Cb 0.26 0.48 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 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 -0.13 -0.62 2.94 7.63 0.00 -0.04 -0.83 105.19 114.13 2iuy n GLY 294 Ca 0.01 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.46 0.16 -0.01 1.61 2.12 -0.79 -4.27 118.70 116.05 2iuy s GLU 295 Ca 0.00 -0.22 -0.17 0.00 0.36 0.00 0.00 54.97 54.93 2iuy s GLU 295 Cb 0.00 0.06 -0.06 0.00 0.26 0.00 0.00 34.13 34.40 2iuy s GLU 295 CO 0.00 -0.03 0.48 0.08 -0.54 0.00 0.00 175.26 175.26 2iuy s VAL 296 N -0.61 4.98 0.43 3.70 1.01 -1.26 -1.87 120.40 126.78 2iuy s VAL 296 Ca -0.07 1.00 0.03 0.00 0.00 0.00 0.00 61.98 62.95 2iuy s VAL 296 Cb -0.04 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 2iuy s VAL 296 CO -0.00 0.50 0.07 0.68 0.00 0.00 0.00 175.10 176.35 2iuy s VAL 297 N -0.58 0.94 0.84 2.92 -7.23 0.10 -4.92 120.40 112.47 2iuy s VAL 297 Ca 0.26 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.32 2iuy s VAL 297 Cb -0.17 -2.40 0.09 0.00 0.56 0.00 0.00 36.38 34.47 2iuy s VAL 297 CO 0.14 0.00 1.09 -0.83 -0.31 0.00 0.00 175.10 175.19 2iuy s GLY 298 N -3.68 1.63 0.76 2.32 0.00 -1.26 -3.96 107.32 103.14 2iuy s GLY 298 Ca 0.21 -0.01 -0.11 0.00 0.00 0.00 0.00 44.72 44.81 2iuy s GLY 298 CO 0.11 0.42 1.08 -0.19 0.00 0.00 0.00 173.10 174.53 2iuy s TYR 299 N -2.98 2.69 0.00 1.90 2.02 -1.26 -4.85 117.35 114.87 2iuy s TYR 299 Ca 0.62 1.53 0.00 0.00 -0.37 0.00 0.00 57.07 58.85 2iuy s TYR 299 Cb -0.17 -3.01 0.00 0.00 -0.40 0.00 0.00 41.96 38.38 2iuy s TYR 299 CO 0.56 -1.68 0.00 0.41 -1.57 0.00 0.00 175.55 173.27 2iuy n GLY 300 N -1.37 -2.17 0.47 0.71 0.00 -1.26 -4.72 105.19 96.84 2iuy n GLY 300 Ca 0.09 -1.78 0.07 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.09 0.00 -2.77 2.61 -2.24 -1.26 -4.77 114.28 105.75 2iuy n THR 301 Ca 0.00 -0.47 -0.43 0.00 -2.27 0.00 0.00 64.05 60.88 2iuy n THR 301 Cb 0.00 1.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 2iuy n THR 301 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2iuy n ASP 302 N 0.51 5.42 -4.65 3.42 8.00 -1.26 -4.79 116.55 123.19 2iuy n ASP 302 Ca 0.07 -3.11 -0.39 0.00 0.71 0.00 0.00 54.79 52.07 2iuy n ASP 302 Cb 0.32 -1.46 -0.08 0.00 -0.02 0.00 0.00 41.12 39.88 2iuy n ASP 302 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2iuy s PHE 303 N -0.01 3.33 -0.02 1.24 0.08 -1.26 -5.05 117.98 116.29 2iuy s PHE 303 Ca 0.38 0.60 -0.30 0.00 0.12 0.00 0.00 56.93 57.73 2iuy s PHE 303 Cb 0.02 -2.59 -0.06 0.00 -0.57 0.00 0.00 43.02 39.83 2iuy s PHE 303 CO 0.01 -0.11 1.57 0.00 -0.10 0.00 0.00 175.22 176.59 2iuy s ALA 304 N 1.67 3.63 0.20 5.36 0.00 -1.26 -4.83 121.76 126.52 2iuy s ALA 304 Ca 0.19 0.96 -0.10 0.00 0.00 0.00 0.00 51.96 53.01 2iuy s ALA 304 Cb -0.15 -3.69 0.25 0.00 0.00 0.00 0.00 23.12 19.53 2iuy s ALA 304 CO 0.09 -1.19 1.77 -1.35 0.00 0.00 0.00 175.76 175.07 2iuy h PRO 305 N 8.73 0.48 -0.78 0.00 0.11 -1.97 -0.52 132.00 138.05 2iuy h PRO 305 Ca -0.39 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 2iuy h PRO 305 Cb 1.18 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 2iuy h PRO 305 CO 0.94 0.32 0.40 -0.44 -0.21 0.00 0.00 178.00 179.00 2iuy h ASP 306 N 0.49 0.99 -0.62 -2.05 3.32 -1.92 -0.81 116.42 115.82 2iuy h ASP 306 Ca 0.29 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 2iuy h ASP 306 Cb 0.29 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 2iuy h ASP 306 CO -0.25 0.83 0.15 -0.33 -1.72 0.00 0.00 179.24 177.92 2iuy h GLU 307 N 1.09 1.00 -0.29 3.56 5.08 -1.86 -1.13 114.58 122.02 2iuy h GLU 307 Ca 0.27 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2iuy h GLU 307 Cb 0.07 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2iuy h GLU 307 CO -0.04 0.90 0.14 0.00 -1.00 0.00 0.00 179.01 179.01 2iuy h ALA 308 N 1.05 0.38 -0.73 3.43 0.00 -0.68 -0.03 119.26 122.68 2iuy h ALA 308 Ca 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2iuy h ALA 308 Cb 0.35 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2iuy h ALA 308 CO 0.00 -0.06 0.36 0.00 0.00 0.00 0.00 179.25 179.56 2iuy h ARG 309 N 0.34 1.04 -0.52 0.00 3.08 -1.13 -1.46 114.38 115.73 2iuy h ARG 309 Ca 0.10 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 2iuy h ARG 309 Cb 0.13 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2iuy h ARG 309 CO -0.01 0.80 0.13 -0.09 -1.07 0.00 0.00 179.97 179.73 2iuy h ARG 310 N 1.01 0.79 0.14 0.04 2.43 -0.81 -1.10 114.38 116.88 2iuy h ARG 310 Ca 0.25 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2iuy h ARG 310 Cb 0.09 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2iuy h ARG 310 CO -0.03 0.71 -0.07 1.15 -1.51 0.00 0.00 179.97 180.22 2iuy h THR 311 N 0.77 0.94 -0.30 0.20 2.02 -0.71 -1.86 112.91 113.97 2iuy h THR 311 Ca 0.17 -0.35 0.07 0.00 0.77 0.00 0.00 66.41 67.07 2iuy h THR 311 Cb 0.27 1.16 -0.07 0.00 -1.74 0.00 0.00 68.15 67.77 2iuy h THR 311 CO -0.00 0.08 -0.17 -0.07 0.37 0.00 0.00 175.52 175.73 2iuy h LEU 312 N -0.36 -0.57 -1.68 2.58 3.38 -1.01 -2.64 115.31 115.01 2iuy h LEU 312 Ca -0.02 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2iuy h LEU 312 Cb 0.28 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2iuy h LEU 312 CO 0.03 -0.21 -0.12 0.00 0.09 0.00 0.00 178.44 178.24 2iuy h ALA 313 N 1.07 1.74 -0.00 1.53 0.00 -1.18 -1.21 119.26 121.21 2iuy h ALA 313 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2iuy h ALA 313 Cb 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2iuy h ALA 313 CO -0.38 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.47 2iuy n GLY 314 N -1.13 -0.91 3.76 0.00 0.00 -0.70 -4.94 105.19 101.27 2iuy n GLY 314 Ca -0.02 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.93 4.10 0.87 0.99 1.43 -0.46 -4.98 118.68 118.69 2iuy s LEU 315 Ca 0.44 2.59 -0.11 0.00 -1.03 0.00 0.00 54.13 56.02 2iuy s LEU 315 Cb 0.20 -4.05 0.12 0.00 0.03 0.00 0.00 46.19 42.49 2iuy s LEU 315 CO 0.34 -1.00 1.14 -2.16 0.23 0.00 0.00 176.35 174.91 2iuy s PRO 316 N -2.47 1.37 0.73 1.29 0.04 -1.26 -5.03 135.00 129.66 2iuy s PRO 316 Ca 0.61 1.50 -0.11 0.00 0.04 0.00 0.00 61.00 63.05 2iuy s PRO 316 Cb -0.36 -1.77 0.04 0.00 0.04 0.00 0.00 34.50 32.45 2iuy s PRO 316 CO 0.45 -2.37 1.10 0.00 0.04 0.00 0.00 177.00 176.23 2iuy s ALA 317 N -2.63 2.87 0.25 8.56 0.00 -1.26 -4.60 121.76 124.96 2iuy s ALA 317 Ca 0.67 -0.51 -0.12 0.00 0.00 0.00 0.00 51.96 52.00 2iuy s ALA 317 Cb -0.22 -2.94 0.35 0.00 0.00 0.00 0.00 23.12 20.31 2iuy s ALA 317 CO 0.56 -1.29 1.57 0.77 0.00 0.00 0.00 175.76 177.38 2iuy h SER 318 N -0.74 -0.97 -0.64 0.00 0.02 -1.96 -1.95 113.55 107.32 2iuy h SER 318 Ca -0.45 0.27 -0.08 0.00 -0.84 0.00 0.00 61.79 60.69 2iuy h SER 318 Cb 1.28 0.59 -0.03 0.00 0.14 0.00 0.00 62.40 64.39 2iuy h SER 318 CO 0.64 -0.30 0.10 0.44 -1.14 0.00 0.00 176.83 176.57 2iuy h ASP 319 N -0.01 1.03 -0.27 3.07 3.32 -1.95 -1.92 116.42 119.70 2iuy h ASP 319 Ca 0.40 -0.25 -0.16 0.00 0.02 0.00 0.00 57.03 57.04 2iuy h ASP 319 Cb 0.64 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 2iuy h ASP 319 CO -0.92 1.03 -0.46 -0.33 -1.72 0.00 0.00 179.24 176.84 2iuy h GLU 320 N 1.01 0.78 -0.30 3.56 4.39 -1.76 -1.82 114.58 120.44 2iuy h GLU 320 Ca 0.20 -0.49 -0.12 0.00 0.34 0.00 0.00 59.36 59.29 2iuy h GLU 320 Cb 0.44 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2iuy h GLU 320 CO 0.01 1.12 -0.31 -0.39 -1.16 0.00 0.00 179.01 178.28 2iuy h VAL 321 N 0.54 1.28 -0.42 3.13 -1.51 -1.34 -2.31 116.25 115.61 2iuy h VAL 321 Ca 0.02 -1.43 -0.03 0.00 -1.23 0.00 0.00 66.70 64.03 2iuy h VAL 321 Cb 1.07 1.39 -0.02 0.00 -2.13 0.00 0.00 31.29 31.60 2iuy h VAL 321 CO 0.10 0.46 0.15 -0.09 -1.23 0.00 0.00 177.57 176.97 2iuy h ARG 322 N 0.54 0.64 0.29 5.19 2.43 -0.98 0.20 114.38 122.69 2iuy h ARG 322 Ca 0.06 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2iuy h ARG 322 Cb 0.80 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 2iuy h ARG 322 CO 0.07 0.61 -0.14 -0.09 -1.51 0.00 0.00 179.97 178.91 2iuy h ARG 323 N 0.54 -0.38 -0.39 0.20 2.43 -1.32 -1.15 114.38 114.31 2iuy h ARG 323 Ca 0.14 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.40 2iuy h ARG 323 Cb 0.22 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.80 2iuy h ARG 323 CO -0.01 -0.19 0.04 0.00 -1.51 0.00 0.00 179.97 178.30 2iuy h ALA 324 N 0.20 0.39 -0.62 2.80 0.00 -1.32 0.50 119.26 121.21 2iuy h ALA 324 Ca -0.04 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.07 2iuy h ALA 324 Cb 0.36 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 2iuy h ALA 324 CO 0.07 -0.36 0.19 0.00 0.00 0.00 0.00 179.25 179.15 2iuy h ALA 325 N 1.32 0.78 -0.20 0.00 0.00 -0.43 -0.69 119.26 120.03 2iuy h ALA 325 Ca 0.19 0.11 -0.18 0.00 0.00 0.00 0.00 54.91 55.03 2iuy h ALA 325 Cb 0.25 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2iuy h ALA 325 CO -0.28 -0.25 -0.57 0.28 0.00 0.00 0.00 179.25 178.43 2iuy h VAL 326 N 0.34 1.30 -0.53 0.00 2.07 -0.79 -0.40 116.25 118.25 2iuy h VAL 326 Ca 0.32 -1.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 2iuy h VAL 326 Cb 0.44 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 2iuy h VAL 326 CO -0.36 0.57 0.24 0.03 0.02 0.00 0.00 177.57 178.07 2iuy h ARG 327 N 0.47 0.77 0.10 1.57 3.08 -0.48 -1.58 114.38 118.30 2iuy h ARG 327 Ca -0.01 -0.12 -0.33 0.00 0.07 0.00 0.00 59.98 59.59 2iuy h ARG 327 Cb 1.19 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 2iuy h ARG 327 CO 0.12 0.64 -1.77 -0.07 -1.07 0.00 0.00 179.97 177.83 2iuy h LEU 328 N 0.71 0.34 -1.92 3.04 3.38 -1.20 -3.42 115.31 116.24 2iuy h LEU 328 Ca 0.18 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2iuy h LEU 328 Cb 0.14 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2iuy h LEU 328 CO -0.02 1.54 0.00 0.79 0.09 0.00 0.00 178.44 180.84 2iuy n TRP 329 N -3.39 0.00 -1.69 1.13 8.01 -0.18 -4.88 117.44 116.43 2iuy n TRP 329 Ca -0.23 -0.25 -0.43 0.00 -1.31 0.00 0.00 57.50 55.28 2iuy n TRP 329 Cb 1.05 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.31 30.32 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 -0.25 0.61 0.35 6.99 0.00 -0.60 -0.50 105.19 111.79 2iuy n GLY 330 Ca 0.00 0.34 0.11 0.00 0.00 0.00 0.00 46.02 46.48 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 2.78 0.46 0.03 1.61 2.07 -1.49 0.90 115.15 121.51 2iuy h HIS 331 Ca -0.46 0.01 -0.05 0.00 -2.85 0.00 0.00 60.37 57.02 2iuy h HIS 331 Cb 1.28 -0.15 0.01 0.00 2.57 0.00 0.00 27.41 31.12 2iuy h HIS 331 CO 0.51 0.22 -0.22 0.28 -3.07 0.00 0.00 177.93 175.65 2iuy h VAL 332 N 0.43 1.67 -0.61 6.12 2.07 -1.87 0.01 116.25 124.07 2iuy h VAL 332 Ca 0.28 -2.26 0.06 0.00 0.82 0.00 0.00 66.70 65.60 2iuy h VAL 332 Cb 0.51 3.18 -0.05 0.00 -1.52 0.00 0.00 31.29 33.41 2iuy h VAL 332 CO -0.08 0.60 0.32 0.74 0.02 0.00 0.00 177.57 179.18 2iuy h THR 333 N -0.74 0.94 -0.24 2.57 2.02 -1.80 -1.43 112.91 114.22 2iuy h THR 333 Ca -0.04 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 2iuy h THR 333 Cb 1.12 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2iuy h THR 333 CO 0.04 0.11 -0.02 0.40 0.37 0.00 0.00 175.52 176.42 2iuy h ILE 334 N 0.60 1.27 -0.78 3.11 1.08 -0.87 -2.22 117.51 119.69 2iuy h ILE 334 Ca 0.28 -0.96 0.11 0.00 -0.39 0.00 0.00 64.86 63.89 2iuy h ILE 334 Cb 0.20 1.42 -0.08 0.00 -3.07 0.00 0.00 36.82 35.29 2iuy h ILE 334 CO -0.19 0.30 0.41 0.00 -0.69 0.00 0.00 178.15 177.98 2iuy h ALA 335 N 0.79 1.12 -0.67 1.87 0.00 -0.84 -0.71 119.26 120.82 2iuy h ALA 335 Ca 0.07 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2iuy h ALA 335 Cb 0.45 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2iuy h ALA 335 CO 0.02 -0.01 0.26 1.49 0.00 0.00 0.00 179.25 181.00 2iuy h GLU 336 N 0.66 0.99 -0.44 0.00 4.81 -1.16 0.24 114.58 119.69 2iuy h GLU 336 Ca 0.39 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 2iuy h GLU 336 Cb 0.44 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2iuy h GLU 336 CO -0.29 0.82 0.21 0.00 -0.73 0.00 0.00 179.01 179.02 2iuy h ARG 337 N 0.97 0.62 -0.66 1.92 3.08 -0.71 -1.91 114.38 117.69 2iuy h ARG 337 Ca 0.23 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 2iuy h ARG 337 Cb 0.20 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 2iuy h ARG 337 CO -0.02 0.53 0.38 1.88 -1.07 0.00 0.00 179.97 181.67 2iuy h TYR 338 N 0.56 0.89 -0.44 3.04 -1.99 -0.39 -2.88 116.97 115.76 2iuy h TYR 338 Ca 0.15 -0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.82 2iuy h TYR 338 Cb 0.11 -0.29 -0.02 0.00 2.00 0.00 0.00 36.73 38.53 2iuy h TYR 338 CO -0.01 0.62 0.07 -0.39 -0.00 0.00 0.00 178.16 178.45 2iuy h VAL 339 N 0.90 1.21 -0.90 -2.88 -1.51 -0.40 0.11 116.25 112.78 2iuy h VAL 339 Ca 0.23 -0.79 0.15 0.00 -1.23 0.00 0.00 66.70 65.06 2iuy h VAL 339 Cb 0.01 0.80 -0.09 0.00 -2.13 0.00 0.00 31.29 29.88 2iuy h VAL 339 CO -0.04 0.29 0.51 -0.08 -1.23 0.00 0.00 177.57 177.01 2iuy h GLU 340 N 0.65 0.71 -0.20 5.19 4.81 -1.25 -0.39 114.58 124.10 2iuy h GLU 340 Ca 0.14 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.15 2iuy h GLU 340 Cb 0.31 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 2iuy h GLU 340 CO 0.00 0.47 -0.60 1.96 -0.73 0.00 0.00 179.01 180.12 2iuy h GLN 341 N 0.73 0.67 -0.49 1.92 1.08 -1.05 -1.08 115.11 116.89 2iuy h GLN 341 Ca 0.49 -0.45 0.06 0.00 -1.45 0.00 0.00 58.65 57.30 2iuy h GLN 341 Cb 0.65 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 28.09 2iuy h GLN 341 CO -0.34 1.07 0.18 1.88 -0.95 0.00 0.00 178.83 180.67 2iuy h TYR 342 N 0.50 0.32 -0.34 2.96 0.05 -0.47 -1.96 116.97 118.03 2iuy h TYR 342 Ca -0.00 0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.69 2iuy h TYR 342 Cb 1.17 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.83 2iuy h TYR 342 CO 0.06 0.11 -0.26 0.00 -1.05 0.00 0.00 178.16 177.02 2iuy h ARG 343 N 0.36 0.69 -0.27 4.88 3.08 -0.88 0.21 114.38 122.45 2iuy h ARG 343 Ca 0.23 -0.28 0.06 0.00 0.07 0.00 0.00 59.98 60.06 2iuy h ARG 343 Cb 0.24 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 2iuy h ARG 343 CO -0.23 0.88 -0.18 -0.09 -1.07 0.00 0.00 179.97 179.27 2iuy h ARG 344 N 0.60 -0.15 -0.29 0.04 2.43 -1.06 -0.39 114.38 115.55 2iuy h ARG 344 Ca 0.08 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 2iuy h ARG 344 Cb 0.75 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 2iuy h ARG 344 CO 0.06 -0.10 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.22 2iuy h LEU 345 N -0.16 0.62 -1.64 3.80 3.38 -1.03 -2.35 115.31 117.93 2iuy h LEU 345 Ca 0.15 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.73 2iuy h LEU 345 Cb 0.38 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2iuy h LEU 345 CO -0.37 0.88 0.26 -0.07 0.09 0.00 0.00 178.44 179.23 2iuy h LEU 346 N 0.36 0.41 0.00 1.67 3.38 -0.39 -1.54 115.31 119.19 2iuy h LEU 346 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2iuy h LEU 346 Cb 0.64 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2iuy h LEU 346 CO 0.04 0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.87 2iuy n ALA 347 N -2.49 2.48 -0.40 1.53 0.00 -0.17 -4.90 120.51 116.57 2iuy n ALA 347 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2iuy n ALA 347 Cb 0.09 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 0.64 0.77 3.85 0.00 0.00 -0.58 -5.08 105.19 104.78 2iuy n GLY 348 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.25 3.10 0.27 4.61 0.00 -0.91 -5.02 121.76 121.57 2iuy s ALA 349 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.12 2iuy s ALA 349 Cb 0.00 -3.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.01 2iuy s ALA 349 CO 0.00 -0.18 0.11 -0.08 0.00 0.00 0.00 175.76 175.62 2iuy s THR 350 N -2.56 0.51 -0.06 0.00 -1.32 -1.26 -4.18 115.64 106.78 2iuy s THR 350 Ca 0.58 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.77 2iuy s THR 350 Cb -0.10 -2.60 0.11 0.00 -1.51 0.00 0.00 72.50 68.40 2iuy s THR 350 CO 0.30 0.00 0.92 -1.66 -2.21 0.00 0.00 174.62 171.97 2iuy s TRP 351 N -3.71 -0.36 0.00 9.09 -2.14 -1.26 -5.04 118.94 115.52 2iuy s TRP 351 Ca 0.37 0.38 0.00 0.00 2.66 0.00 0.00 56.10 59.51 2iuy s TRP 351 Cb 0.07 0.50 0.00 0.00 -3.10 0.00 0.00 33.47 30.95 2iuy s TRP 351 CO 0.15 -0.48 0.00 0.36 -2.66 0.00 0.00 176.95 174.32