#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iup s SER 3 N 0.00 1.27 0.36 4.39 1.04 -1.26 -0.84 113.70 118.65 3iup s SER 3 Ca 0.00 -1.15 -0.14 0.00 0.48 0.00 0.00 55.95 55.14 3iup s SER 3 Cb 0.00 0.10 0.04 0.00 0.10 0.00 0.00 66.02 66.26 3iup s SER 3 CO 0.00 -0.55 0.71 0.00 0.98 0.00 0.00 173.24 174.38 3iup s ALA 4 N -3.63 -0.51 0.10 5.32 0.00 -0.62 -4.87 121.76 117.55 3iup s ALA 4 Ca 0.23 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.31 3iup s ALA 4 Cb 0.06 0.81 -0.05 0.00 0.00 0.00 0.00 23.12 23.93 3iup s ALA 4 CO 0.03 -0.95 0.32 -0.51 0.00 0.00 0.00 175.76 174.65 3iup s LEU 5 N -3.08 4.31 -0.04 0.00 1.43 -1.26 -0.73 118.68 119.31 3iup s LEU 5 Ca 0.18 0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 53.77 3iup s LEU 5 Cb -0.04 -3.12 0.02 0.00 0.03 0.00 0.00 46.19 43.08 3iup s LEU 5 CO 0.12 0.12 0.10 -1.58 0.23 0.00 0.00 176.35 175.34 3iup s GLN 6 N -2.45 0.09 0.41 1.70 0.74 -0.13 -0.98 119.66 119.04 3iup s GLN 6 Ca 0.37 0.21 -0.25 0.00 0.05 0.00 0.00 55.36 55.74 3iup s GLN 6 Cb -0.13 -0.04 -0.08 0.00 1.10 0.00 0.00 33.01 33.86 3iup s GLN 6 CO 0.24 -0.07 1.14 -1.17 -0.55 0.00 0.00 175.29 174.88 3iup s LEU 7 N 0.46 4.16 -0.00 3.68 0.20 -0.26 -0.39 118.68 126.53 3iup s LEU 7 Ca -0.03 2.27 0.04 0.00 0.69 0.00 0.00 54.13 57.10 3iup s LEU 7 Cb -0.05 -4.08 -0.01 0.00 -0.43 0.00 0.00 46.19 41.62 3iup s LEU 7 CO -0.02 -0.67 -0.13 -0.13 -0.29 0.00 0.00 176.35 175.12 3iup s ARG 8 N -2.39 1.01 -0.21 1.98 1.81 0.55 -4.12 118.95 117.59 3iup s ARG 8 Ca 0.58 -0.49 0.00 0.00 -1.72 0.00 0.00 55.73 54.10 3iup s ARG 8 Cb -0.29 -0.98 0.02 0.00 -0.45 0.00 0.00 34.95 33.26 3iup s ARG 8 CO 0.36 0.27 -0.14 0.45 -0.68 0.00 0.00 175.30 175.55 3iup s SER 9 N -0.41 3.71 -0.20 0.23 0.15 -1.26 -1.52 113.70 114.39 3iup s SER 9 Ca 0.04 -0.78 0.01 0.00 0.70 0.00 0.00 55.95 55.93 3iup s SER 9 Cb -0.05 -1.56 0.04 0.00 -1.71 0.00 0.00 66.02 62.74 3iup s SER 9 CO -0.00 -0.06 -0.14 -0.60 1.20 0.00 0.00 173.24 173.64 3iup s ARG 10 N 1.29 2.40 -0.27 5.44 3.52 0.31 -4.58 118.95 127.05 3iup s ARG 10 Ca 0.02 -0.91 -0.11 0.00 -0.13 0.00 0.00 55.73 54.60 3iup s ARG 10 Cb -0.15 -2.52 -0.05 0.00 -1.56 0.00 0.00 34.95 30.67 3iup s ARG 10 CO -0.09 -0.37 0.18 0.42 -0.81 0.00 0.00 175.30 174.63 3iup s ILE 11 N 1.31 5.27 0.26 4.11 1.01 -1.26 -0.47 121.20 131.44 3iup s ILE 11 Ca -0.00 0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.82 3iup s ILE 11 Cb -0.16 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 3iup s ILE 11 CO -0.09 0.27 0.43 -0.54 0.00 0.00 0.00 174.94 175.00 3iup s LYS 12 N 1.64 3.47 0.55 2.79 1.02 -0.09 -0.10 119.74 129.02 3iup s LYS 12 Ca 0.07 -0.52 0.29 0.00 0.02 0.00 0.00 55.97 55.83 3iup s LYS 12 Cb -0.16 -2.81 1.61 0.00 -0.52 0.00 0.00 37.83 35.96 3iup s LYS 12 CO 0.10 0.33 2.14 0.77 -0.92 0.00 0.00 175.35 177.77 3iup h SER 13 N 1.25 0.00 0.15 2.83 0.02 -1.91 -0.93 113.55 114.96 3iup h SER 13 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 3iup h SER 13 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3iup h SER 13 CO 0.63 0.08 0.00 -1.54 -1.14 0.00 0.00 176.83 174.85 3iup n SER 14 N -3.63 0.00 0.00 3.07 3.41 -1.26 -4.85 113.62 110.36 3iup n SER 14 Ca -0.02 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 3iup n SER 14 Cb 0.19 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 3iup n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iup n GLY 15 N -1.04 0.77 3.70 5.00 0.00 -0.35 -5.03 105.19 108.24 3iup n GLY 15 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3iup n GLY 15 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iup s GLU 16 N -0.65 3.78 -0.14 1.61 2.12 -1.25 -0.47 118.70 123.71 3iup s GLU 16 Ca 0.00 -0.29 -0.21 0.00 0.36 0.00 0.00 54.97 54.83 3iup s GLU 16 Cb 0.00 -3.19 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 3iup s GLU 16 CO 0.00 0.43 0.62 -1.17 -0.54 0.00 0.00 175.26 174.60 3iup s LEU 17 N -0.06 4.23 -0.14 2.70 2.96 0.09 -0.92 118.68 127.54 3iup s LEU 17 Ca 0.07 0.94 0.02 0.00 -0.22 0.00 0.00 54.13 54.94 3iup s LEU 17 Cb -0.12 -2.91 0.00 0.00 0.50 0.00 0.00 46.19 43.67 3iup s LEU 17 CO 0.01 -0.16 -0.20 -0.70 -1.32 0.00 0.00 176.35 173.98 3iup s GLU 18 N 1.27 3.09 -0.12 1.98 2.12 0.38 -1.77 118.70 125.65 3iup s GLU 18 Ca 0.31 -0.82 -0.02 0.00 0.36 0.00 0.00 54.97 54.80 3iup s GLU 18 Cb -0.16 -2.48 -0.03 0.00 0.26 0.00 0.00 34.13 31.72 3iup s GLU 18 CO 0.13 0.02 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.32 3iup s LEU 19 N 0.74 3.24 0.20 2.70 1.43 0.72 -0.53 118.68 127.19 3iup s LEU 19 Ca -0.08 -0.07 -0.17 0.00 -1.03 0.00 0.00 54.13 52.78 3iup s LEU 19 Cb -0.16 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.34 3iup s LEU 19 CO 0.00 0.26 0.53 -0.94 0.23 0.00 0.00 176.35 176.43 3iup s SER 20 N -0.17 -0.26 -0.33 2.29 1.04 -0.58 -1.60 113.70 114.09 3iup s SER 20 Ca 0.03 -0.49 -0.12 0.00 0.48 0.00 0.00 55.95 55.84 3iup s SER 20 Cb -0.13 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 3iup s SER 20 CO 0.03 -1.06 0.23 -0.76 0.98 0.00 0.00 173.24 172.65 3iup s LEU 21 N -2.88 4.43 0.15 2.42 1.43 -1.26 -0.33 118.68 122.64 3iup s LEU 21 Ca 0.10 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 52.76 3iup s LEU 21 Cb -0.01 -2.13 -0.06 0.00 0.03 0.00 0.00 46.19 44.03 3iup s LEU 21 CO -0.02 -0.21 0.40 -1.81 0.23 0.00 0.00 176.35 174.94 3iup s ASP 22 N 1.72 6.52 -0.23 2.29 1.11 0.48 -4.88 116.67 123.68 3iup s ASP 22 Ca 0.06 0.65 -0.19 0.00 0.18 0.00 0.00 52.55 53.25 3iup s ASP 22 Cb -0.17 -2.12 -0.03 0.00 1.07 0.00 0.00 42.92 41.68 3iup s ASP 22 CO 0.10 0.05 0.57 -0.55 1.18 0.00 0.00 175.17 176.52 3iup s SER 23 N -2.35 6.56 -0.10 0.27 0.15 -1.26 -0.95 113.70 116.01 3iup s SER 23 Ca 0.41 0.68 0.02 0.00 0.70 0.00 0.00 55.95 57.76 3iup s SER 23 Cb -0.12 -2.31 0.01 0.00 -1.71 0.00 0.00 66.02 61.89 3iup s SER 23 CO 0.23 -0.28 -0.17 -0.63 1.20 0.00 0.00 173.24 173.59 3iup s ILE 24 N 2.11 1.58 0.33 6.45 -1.09 0.09 -4.94 121.20 125.72 3iup s ILE 24 Ca 0.25 -0.71 -0.29 0.00 -2.23 0.00 0.00 60.65 57.67 3iup s ILE 24 Cb -0.16 -1.41 -0.11 0.00 -1.58 0.00 0.00 42.46 39.21 3iup s ILE 24 CO 0.09 0.45 1.44 -1.81 -1.23 0.00 0.00 174.94 173.89 3iup s ASP 25 N 0.72 6.53 -0.21 3.58 1.01 -1.26 -1.59 116.67 125.45 3iup s ASP 25 Ca -0.12 2.86 -0.22 0.00 0.71 0.00 0.00 52.55 55.78 3iup s ASP 25 Cb -0.16 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.10 3iup s ASP 25 CO 0.03 -0.75 0.71 -0.89 0.21 0.00 0.00 175.17 174.48 3iup s THR 26 N -0.77 4.95 0.71 -1.27 2.01 -0.02 -4.88 115.64 116.37 3iup s THR 26 Ca 0.54 1.35 -0.13 0.00 0.31 0.00 0.00 61.69 63.76 3iup s THR 26 Cb -0.44 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 68.08 3iup s THR 26 CO 0.54 0.05 1.09 -2.84 -0.69 0.00 0.00 174.62 172.77 3iup s PRO 27 N 2.22 2.61 -0.06 4.92 0.02 -1.26 -4.58 135.00 138.87 3iup s PRO 27 Ca 0.32 1.24 -0.14 0.00 0.02 0.00 0.00 61.00 62.44 3iup s PRO 27 Cb -0.16 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.37 3iup s PRO 27 CO 0.10 -1.38 0.35 -1.01 -0.33 0.00 0.00 177.00 174.73 3iup s HIS 28 N -2.65 3.65 0.26 6.54 3.76 -1.26 -4.95 115.29 120.63 3iup s HIS 28 Ca 0.63 0.84 -0.29 0.00 -0.15 0.00 0.00 55.06 56.09 3iup s HIS 28 Cb -0.18 -2.26 -0.09 0.00 1.11 0.00 0.00 32.58 31.15 3iup s HIS 28 CO 0.49 0.55 1.25 -1.25 -0.85 0.00 0.00 174.74 174.92 3iup s PRO 29 N -0.67 4.45 1.27 8.40 0.04 -1.26 -5.04 135.00 142.18 3iup s PRO 29 Ca 0.21 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 63.08 3iup s PRO 29 Cb -0.15 -3.16 0.31 0.00 0.04 0.00 0.00 34.50 31.54 3iup s PRO 29 CO 0.10 -0.10 1.04 0.20 0.04 0.00 0.00 177.00 178.28 3iup s GLY 30 N -0.25 1.52 0.33 0.56 0.00 -1.26 -4.46 107.32 103.76 3iup s GLY 30 Ca 0.51 -0.83 0.12 0.00 0.00 0.00 0.00 44.72 44.52 3iup s GLY 30 CO 0.43 0.08 1.67 -2.55 0.00 0.00 0.00 173.10 172.74 3iup h PRO 31 N -2.84 0.35 -0.68 2.90 0.11 -1.96 -0.74 132.00 129.14 3iup h PRO 31 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3iup h PRO 31 Cb 1.31 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3iup h PRO 31 CO 0.34 0.23 0.00 -0.25 -0.21 0.00 0.00 178.00 178.12 3iup n ASP 32 N -5.04 4.53 -4.64 -2.05 8.00 -1.26 -1.44 116.55 114.65 3iup n ASP 32 Ca 0.29 -2.31 -0.24 0.00 0.71 0.00 0.00 54.79 53.25 3iup n ASP 32 Cb 0.89 -0.55 -0.08 0.00 -0.02 0.00 0.00 41.12 41.36 3iup n ASP 32 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3iup s GLU 33 N -1.58 2.17 0.11 -1.24 2.02 -0.28 -0.59 118.70 119.31 3iup s GLU 33 Ca 0.51 -1.59 0.04 0.00 0.02 0.00 0.00 54.97 53.94 3iup s GLU 33 Cb 0.31 -2.04 -0.04 0.00 0.10 0.00 0.00 34.13 32.46 3iup s GLU 33 CO 0.28 0.23 -0.10 0.14 0.02 0.00 0.00 175.26 175.83 3iup s VAL 34 N -2.43 0.96 -0.21 2.63 -7.23 -0.13 -0.60 120.40 113.39 3iup s VAL 34 Ca 0.34 -1.76 -0.05 0.00 -1.81 0.00 0.00 61.98 58.69 3iup s VAL 34 Cb -0.03 -1.50 -0.02 0.00 0.56 0.00 0.00 36.38 35.38 3iup s VAL 34 CO 0.20 -0.63 0.01 -0.22 -0.31 0.00 0.00 175.10 174.14 3iup s LEU 35 N -2.67 3.25 -0.16 1.32 2.96 0.33 -1.18 118.68 122.54 3iup s LEU 35 Ca 0.09 -0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 53.72 3iup s LEU 35 Cb -0.01 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 3iup s LEU 35 CO -0.00 0.03 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.41 3iup s ILE 36 N 1.22 4.14 -0.47 6.68 1.01 0.11 -1.16 121.20 132.72 3iup s ILE 36 Ca 0.03 -0.27 -0.25 0.00 0.00 0.00 0.00 60.65 60.16 3iup s ILE 36 Cb -0.15 -2.83 0.03 0.00 0.01 0.00 0.00 42.46 39.53 3iup s ILE 36 CO 0.01 0.49 0.92 -0.60 0.00 0.00 0.00 174.94 175.76 3iup s ARG 37 N 0.31 3.50 -0.12 2.79 3.52 0.55 -0.95 118.95 128.55 3iup s ARG 37 Ca -0.02 0.10 -0.29 0.00 -0.13 0.00 0.00 55.73 55.39 3iup s ARG 37 Cb -0.14 -3.94 -0.01 0.00 -1.56 0.00 0.00 34.95 29.31 3iup s ARG 37 CO 0.02 -1.24 1.02 0.42 -0.81 0.00 0.00 175.30 174.72 3iup s ILE 38 N 3.74 4.74 -0.28 4.11 -1.09 -0.38 -1.72 121.20 130.32 3iup s ILE 38 Ca 0.36 2.02 0.04 0.00 -2.23 0.00 0.00 60.65 60.84 3iup s ILE 38 Cb -0.10 -4.30 -0.02 0.00 -1.58 0.00 0.00 42.46 36.46 3iup s ILE 38 CO 0.25 -0.02 0.29 -0.62 -1.23 0.00 0.00 174.94 173.61 3iup n GLU 39 N 5.22 4.16 -3.65 2.79 1.02 -0.21 -3.76 120.64 126.21 3iup n GLU 39 Ca 0.09 -0.19 -0.03 0.00 -0.02 0.00 0.00 57.16 57.01 3iup n GLU 39 Cb 0.48 -0.79 -0.05 0.00 -0.02 0.00 0.00 31.44 31.06 3iup n GLU 39 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3iup s ALA 40 N -1.12 -1.92 -0.15 0.62 0.00 -0.90 -4.30 121.76 113.99 3iup s ALA 40 Ca 0.02 2.28 -0.07 0.00 0.00 0.00 0.00 51.96 54.19 3iup s ALA 40 Cb 0.03 -1.65 0.06 0.00 0.00 0.00 0.00 23.12 21.56 3iup s ALA 40 CO 0.13 -0.79 0.34 0.45 0.00 0.00 0.00 175.76 175.90 3iup s SER 41 N 2.59 -0.32 0.45 0.00 0.15 0.94 -0.32 113.70 117.20 3iup s SER 41 Ca -0.07 0.76 -0.15 0.00 0.70 0.00 0.00 55.95 57.20 3iup s SER 41 Cb -0.11 0.72 -0.08 0.00 -1.71 0.00 0.00 66.02 64.84 3iup s SER 41 CO -0.19 -0.19 0.89 -2.16 1.20 0.00 0.00 173.24 172.79 3iup s PRO 42 N 1.61 3.92 -0.83 5.44 0.04 -1.26 -0.26 135.00 143.66 3iup s PRO 42 Ca -0.07 0.78 -0.17 0.00 0.04 0.00 0.00 61.00 61.58 3iup s PRO 42 Cb -0.10 -2.25 0.16 0.00 0.04 0.00 0.00 34.50 32.35 3iup s PRO 42 CO -0.11 -0.13 0.92 -0.51 0.04 0.00 0.00 177.00 177.21 3iup s LEU 43 N -3.81 5.72 0.38 -3.56 1.43 -0.74 -4.87 118.68 113.24 3iup s LEU 43 Ca 0.56 -2.17 0.01 0.00 -1.03 0.00 0.00 54.13 51.50 3iup s LEU 43 Cb -0.10 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 3iup s LEU 43 CO 0.28 -0.90 0.59 0.20 0.23 0.00 0.00 176.35 176.75 3iup s ASN 44 N 3.10 6.12 0.33 2.29 0.01 -1.26 -4.55 114.94 120.98 3iup s ASN 44 Ca 0.24 0.36 0.06 0.00 -0.71 0.00 0.00 52.86 52.80 3iup s ASN 44 Cb -0.10 -1.82 0.71 0.00 0.41 0.00 0.00 41.25 40.45 3iup s ASN 44 CO -0.06 -0.44 1.88 -0.65 -1.51 0.00 0.00 177.10 176.32 3iup h PRO 45 N 0.64 0.79 -0.85 -0.60 0.11 -1.97 0.17 132.00 130.29 3iup h PRO 45 Ca -0.48 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.61 3iup h PRO 45 Cb 1.23 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 3iup h PRO 45 CO 0.59 0.52 0.56 0.66 -0.21 0.00 0.00 178.00 180.12 3iup h SER 46 N 0.81 0.92 -0.35 -2.05 4.64 -2.00 -1.98 113.55 113.53 3iup h SER 46 Ca 0.43 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.58 3iup h SER 46 Cb 0.54 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3iup h SER 46 CO -0.19 0.63 -0.41 0.44 -0.87 0.00 0.00 176.83 176.43 3iup h ASP 47 N 1.06 0.98 -0.07 4.97 3.32 -1.10 -3.01 116.42 122.57 3iup h ASP 47 Ca 0.33 -0.46 -0.06 0.00 0.02 0.00 0.00 57.03 56.86 3iup h ASP 47 Cb 0.01 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 3iup h ASP 47 CO -0.10 1.26 -0.11 -0.07 -1.72 0.00 0.00 179.24 178.50 3iup h LEU 48 N 0.74 0.36 -0.58 1.55 3.38 -0.72 0.10 115.31 120.15 3iup h LEU 48 Ca 0.05 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3iup h LEU 48 Cb 1.01 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 3iup h LEU 48 CO 0.10 0.51 0.38 1.23 0.09 0.00 0.00 178.44 180.75 3iup h GLY 49 N 0.84 0.81 1.17 0.83 0.00 -1.24 -1.66 103.07 103.82 3iup h GLY 49 Ca 0.07 -0.30 -0.25 0.00 0.00 0.00 0.00 47.33 46.85 3iup h GLY 49 CO 0.02 0.29 -0.99 -2.00 0.00 0.00 0.00 176.54 173.87 3iup h LEU 50 N 0.78 0.89 -0.33 3.11 5.85 -1.33 0.35 115.31 124.64 3iup h LEU 50 Ca 0.21 -0.73 0.04 0.00 0.84 0.00 0.00 57.88 58.24 3iup h LEU 50 Cb -0.08 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.64 3iup h LEU 50 CO -0.05 1.50 0.12 0.25 -0.34 0.00 0.00 178.44 179.93 3iup h LEU 51 N 0.38 0.14 0.00 2.25 5.85 -0.60 -3.22 115.31 120.11 3iup h LEU 51 Ca -0.12 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3iup h LEU 51 Cb 1.64 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.69 3iup h LEU 51 CO 0.19 0.12 -1.17 0.49 -0.34 0.00 0.00 178.44 177.73 3iup n PHE 52 N -5.01 0.00 -4.05 1.25 3.72 -0.64 -4.84 117.46 107.88 3iup n PHE 52 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3iup n PHE 52 Cb 0.11 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 3iup n PHE 52 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iup n GLY 53 N 1.45 1.63 0.96 1.37 0.00 0.11 -1.56 105.19 109.16 3iup n GLY 53 Ca 0.01 -0.50 0.02 0.00 0.00 0.00 0.00 46.02 45.55 3iup n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iup n ALA 54 N 5.97 2.96 -1.76 4.61 0.00 -1.26 -4.92 120.51 126.12 3iup n ALA 54 Ca 0.00 -0.66 -0.38 0.00 0.00 0.00 0.00 53.44 52.40 3iup n ALA 54 Cb 0.00 -1.04 0.02 0.00 0.00 0.00 0.00 19.45 18.43 3iup n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iup s ALA 55 N -1.61 2.93 0.70 0.00 0.00 -0.60 -4.37 121.76 118.80 3iup s ALA 55 Ca 0.19 1.18 -0.04 0.00 0.00 0.00 0.00 51.96 53.29 3iup s ALA 55 Cb 0.14 -3.49 0.09 0.00 0.00 0.00 0.00 23.12 19.86 3iup s ALA 55 CO 0.06 -1.06 0.99 0.34 0.00 0.00 0.00 175.76 176.09 3iup s ASP 56 N -1.07 4.56 0.00 0.00 -1.08 -0.06 -4.97 116.67 114.05 3iup s ASP 56 Ca 0.67 0.03 0.00 0.00 -0.52 0.00 0.00 52.55 52.73 3iup s ASP 56 Cb -0.36 -0.58 0.00 0.00 -1.46 0.00 0.00 42.92 40.53 3iup s ASP 56 CO 0.43 -1.71 0.00 -1.54 0.52 0.00 0.00 175.17 172.87 3iup n SER 58 N -2.85 0.00 -1.21 -0.34 3.41 -1.26 -4.01 113.62 107.36 3iup n SER 58 Ca 0.11 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.82 3iup n SER 58 Cb 0.60 -0.39 0.29 0.00 -0.26 0.00 0.00 64.21 64.45 3iup n SER 58 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3iup n THR 59 N -0.57 1.17 -2.46 6.66 -2.24 -1.26 -5.04 114.28 110.54 3iup n THR 59 Ca 0.00 -1.06 -0.34 0.00 -2.27 0.00 0.00 64.05 60.38 3iup n THR 59 Cb 0.00 0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.63 3iup n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iup s ALA 60 N -1.18 2.83 -0.02 6.98 0.00 -1.26 -4.37 121.76 124.74 3iup s ALA 60 Ca 0.43 0.63 -0.04 0.00 0.00 0.00 0.00 51.96 52.97 3iup s ALA 60 Cb 0.24 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 20.09 3iup s ALA 60 CO 0.27 -0.42 0.10 0.21 0.00 0.00 0.00 175.76 175.92 3iup s LYS 61 N -3.30 0.25 -0.06 0.00 2.20 0.85 -4.97 119.74 114.71 3iup s LYS 61 Ca 0.68 -0.09 -0.05 0.00 -0.36 0.00 0.00 55.97 56.15 3iup s LYS 61 Cb -0.17 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.21 3iup s LYS 61 CO 0.22 -0.05 0.15 0.00 -0.36 0.00 0.00 175.35 175.32 3iup s ALA 62 N -0.52 3.89 0.00 3.13 0.00 -1.26 -1.17 121.76 125.84 3iup s ALA 62 Ca -0.06 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.19 3iup s ALA 62 Cb -0.04 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.18 3iup s ALA 62 CO 0.00 0.68 0.00 -1.13 0.00 0.00 0.00 175.76 175.32 3iup n SER 63 N 1.46 0.00 0.00 0.00 3.41 0.22 -4.98 113.62 113.73 3iup n SER 63 Ca -0.15 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.80 3iup n SER 63 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 3iup n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iup n GLY 64 N 0.00 -1.39 3.85 5.00 0.00 -1.26 -1.17 105.19 110.22 3iup n GLY 64 Ca 0.00 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 3iup n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iup s THR 65 N 0.00 1.33 0.11 2.61 -4.23 -0.53 -4.85 115.64 110.08 3iup s THR 65 Ca 0.00 -1.73 -0.15 0.00 -1.18 0.00 0.00 61.69 58.62 3iup s THR 65 Cb 0.00 -2.06 -0.06 0.00 1.34 0.00 0.00 72.50 71.72 3iup s THR 65 CO 0.00 0.00 1.49 0.00 -0.54 0.00 0.00 174.62 175.57 3iup h ALA 66 N 0.99 0.46 0.00 3.99 0.00 -1.99 -0.76 119.26 121.95 3iup h ALA 66 Ca -0.40 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.14 3iup h ALA 66 Cb 1.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3iup h ALA 66 CO 0.65 0.34 -0.36 0.93 0.00 0.00 0.00 179.25 180.81 3iup h GLU 67 N 0.44 0.00 -2.05 0.00 3.07 -1.97 -3.39 114.58 110.68 3iup h GLU 67 Ca 0.08 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.37 3iup h GLU 67 Cb 0.64 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 28.15 3iup h GLU 67 CO 0.04 0.23 -0.99 0.54 -1.40 0.00 0.00 179.01 177.44 3iup n ARG 68 N -3.12 1.20 -2.31 2.33 5.12 -1.14 -4.81 116.66 113.95 3iup n ARG 68 Ca 0.02 -3.60 -0.33 0.00 -1.93 0.00 0.00 57.85 52.01 3iup n ARG 68 Cb 0.64 -1.51 -0.01 0.00 -1.16 0.00 0.00 32.46 30.41 3iup n ARG 68 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3iup s PRO 69 N -1.62 3.60 -0.04 5.56 0.04 -0.30 -1.45 135.00 140.79 3iup s PRO 69 Ca 0.37 1.24 0.05 0.00 0.04 0.00 0.00 61.00 62.70 3iup s PRO 69 Cb 0.18 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 3iup s PRO 69 CO -0.09 -0.58 -0.20 0.42 0.04 0.00 0.00 177.00 176.59 3iup s ILE 70 N -2.27 1.67 -0.09 0.56 1.01 -0.31 -3.99 121.20 117.78 3iup s ILE 70 Ca 0.65 -0.86 0.04 0.00 0.00 0.00 0.00 60.65 60.48 3iup s ILE 70 Cb -0.15 -1.42 -0.00 0.00 0.01 0.00 0.00 42.46 40.90 3iup s ILE 70 CO 0.29 0.47 -0.24 -0.69 0.00 0.00 0.00 174.94 174.77 3iup s VAL 71 N -0.12 2.12 0.10 2.92 1.01 -0.63 -0.61 120.40 125.19 3iup s VAL 71 Ca -0.02 -1.01 0.10 0.00 0.00 0.00 0.00 61.98 61.06 3iup s VAL 71 Cb -0.12 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 3iup s VAL 71 CO 0.02 0.56 -0.26 0.42 0.00 0.00 0.00 175.10 175.84 3iup s THR 72 N 0.23 2.18 0.24 3.92 -4.23 -0.31 -0.20 115.64 117.47 3iup s THR 72 Ca -0.15 -1.62 -0.16 0.00 -1.18 0.00 0.00 61.69 58.57 3iup s THR 72 Cb -0.17 -1.91 0.01 0.00 1.34 0.00 0.00 72.50 71.77 3iup s THR 72 CO 0.08 0.17 0.55 0.00 -0.54 0.00 0.00 174.62 174.88 3iup s ALA 73 N -0.98 -0.70 -0.09 3.99 0.00 -0.73 -0.10 121.76 123.15 3iup s ALA 73 Ca 0.13 -0.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.52 3iup s ALA 73 Cb -0.10 0.95 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 3iup s ALA 73 CO 0.05 -0.89 0.02 1.03 0.00 0.00 0.00 175.76 175.96 3iup s ARG 74 N -3.95 3.03 -0.14 0.00 1.81 -1.26 -0.73 118.95 117.71 3iup s ARG 74 Ca 0.16 -0.38 -0.14 0.00 -1.72 0.00 0.00 55.73 53.65 3iup s ARG 74 Cb -0.02 -2.83 -0.05 0.00 -0.45 0.00 0.00 34.95 31.60 3iup s ARG 74 CO 0.05 0.71 0.30 0.08 -0.68 0.00 0.00 175.30 175.76 3iup s VAL 75 N -0.89 5.29 0.44 3.52 1.01 0.37 -0.88 120.40 129.25 3iup s VAL 75 Ca 0.13 0.57 -0.23 0.00 0.00 0.00 0.00 61.98 62.46 3iup s VAL 75 Cb -0.11 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.55 3iup s VAL 75 CO 0.02 0.42 1.06 -2.16 0.00 0.00 0.00 175.10 174.45 3iup s PRO 76 N 0.19 3.99 0.35 2.72 0.04 -1.26 -4.88 135.00 136.15 3iup s PRO 76 Ca 0.18 1.50 0.09 0.00 0.04 0.00 0.00 61.00 62.81 3iup s PRO 76 Cb -0.13 -2.37 0.83 0.00 0.04 0.00 0.00 34.50 32.87 3iup s PRO 76 CO 0.05 -0.30 1.84 1.05 0.04 0.00 0.00 177.00 179.69 3iup h GLU 77 N 2.12 0.65 0.00 4.56 9.09 -1.98 0.44 114.58 129.46 3iup h GLU 77 Ca -0.49 -0.04 -0.02 0.00 0.05 0.00 0.00 59.36 58.86 3iup h GLU 77 Cb 1.22 -0.15 -0.00 0.00 -1.65 0.00 0.00 28.75 28.17 3iup h GLU 77 CO 0.61 0.43 -0.09 0.78 0.05 0.00 0.00 179.01 180.79 3iup h GLY 78 N 0.67 0.00 -6.11 1.06 0.00 -2.02 -3.38 103.07 93.29 3iup h GLY 78 Ca 0.49 0.00 -0.75 0.00 0.00 0.00 0.00 47.33 47.07 3iup h GLY 78 CO -0.25 0.00 2.12 0.00 0.00 0.00 0.00 176.54 178.42 3iup n ALA 79 N -2.33 6.00 0.00 3.60 0.00 0.15 -4.74 120.51 123.19 3iup n ALA 79 Ca -0.02 -4.25 0.00 0.00 0.00 0.00 0.00 53.44 49.17 3iup n ALA 79 Cb 0.19 -2.85 0.00 0.00 0.00 0.00 0.00 19.45 16.79 3iup n ALA 79 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3iup n ARG 81 N 2.75 0.00 -0.08 0.00 0.00 -1.26 -4.79 116.66 113.27 3iup n ARG 81 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.34 3iup n ARG 81 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.77 3iup n ARG 81 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3iup n SER 82 N 0.00 1.21 0.00 2.89 3.41 -1.26 -4.65 113.62 115.22 3iup n SER 82 Ca 0.00 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.56 3iup n SER 82 Cb 0.00 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 3iup n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iup n ALA 84 N 1.45 0.00 0.31 7.33 0.00 -1.26 -4.92 120.51 123.43 3iup n ALA 84 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.65 3iup n ALA 84 Cb 0.14 0.00 1.08 0.00 0.00 0.00 0.00 19.45 20.67 3iup n ALA 84 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3iup h GLY 85 N 0.00 0.00 -0.22 0.00 0.00 -2.02 -2.96 103.07 97.87 3iup h GLY 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3iup h GLY 85 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 175.58 3iup n ARG 86 N -2.98 1.80 -1.75 4.80 1.85 -1.26 -4.99 116.66 114.12 3iup n ARG 86 Ca -0.02 -1.29 -0.42 0.00 -1.00 0.00 0.00 57.85 55.12 3iup n ARG 86 Cb 0.10 -1.05 -0.02 0.00 -1.05 0.00 0.00 32.46 30.44 3iup n ARG 86 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3iup s LEU 87 N -0.74 4.36 -0.77 2.89 1.43 -1.12 -1.70 118.68 123.02 3iup s LEU 87 Ca 0.04 2.90 0.00 0.00 -1.03 0.00 0.00 54.13 56.03 3iup s LEU 87 Cb 0.02 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.63 3iup s LEU 87 CO 0.03 -0.95 0.00 0.47 0.23 0.00 0.00 176.35 176.13 3iup n ASP 88 N 3.23 -4.77 -4.81 2.29 8.00 0.86 -4.92 116.55 116.42 3iup n ASP 88 Ca 0.13 0.18 -0.36 0.00 0.71 0.00 0.00 54.79 55.44 3iup n ASP 88 Cb 0.36 -2.91 -0.07 0.00 -0.02 0.00 0.00 41.12 38.48 3iup n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iup s ALA 89 N -1.97 3.78 0.66 2.24 0.00 -0.69 -5.02 121.76 120.76 3iup s ALA 89 Ca 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 3iup s ALA 89 Cb 0.00 -2.09 0.08 0.00 0.00 0.00 0.00 23.12 21.11 3iup s ALA 89 CO 0.00 0.41 0.93 0.45 0.00 0.00 0.00 175.76 177.55 3iup s SER 90 N -0.43 4.78 0.17 0.00 0.15 -1.26 -4.16 113.70 112.95 3iup s SER 90 Ca 0.13 0.03 0.07 0.00 0.70 0.00 0.00 55.95 56.87 3iup s SER 90 Cb -0.12 -0.67 -0.04 0.00 -1.71 0.00 0.00 66.02 63.48 3iup s SER 90 CO 0.02 -1.55 -0.13 -2.84 1.20 0.00 0.00 173.24 169.94 3iup s PRO 92 N -5.05 1.21 0.06 5.44 0.02 -1.26 -4.88 135.00 130.53 3iup s PRO 92 Ca 0.61 -1.49 0.03 0.00 0.02 0.00 0.00 61.00 60.17 3iup s PRO 92 Cb -0.09 -0.97 -0.03 0.00 0.02 0.00 0.00 34.50 33.43 3iup s PRO 92 CO 0.42 0.16 -0.08 0.08 -0.33 0.00 0.00 177.00 177.25 3iup s VAL 93 N -2.88 0.67 0.00 3.83 1.01 -1.26 -4.67 120.40 117.10 3iup s VAL 93 Ca 0.18 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.80 3iup s VAL 93 Cb -0.01 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.38 3iup s VAL 93 CO 0.05 -0.50 0.00 0.61 0.00 0.00 0.00 175.10 175.25 3iup n GLY 94 N 0.99 1.50 0.13 4.51 0.00 -1.26 -1.60 105.19 109.45 3iup n GLY 94 Ca -0.19 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 3iup n GLY 94 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3iup h ASN 95 N 0.00 0.32 -4.73 1.61 2.35 -1.90 -1.66 115.58 111.57 3iup h ASN 95 Ca 0.00 -0.38 -0.23 0.00 -0.55 0.00 0.00 56.30 55.14 3iup h ASN 95 Cb 0.00 -0.09 -0.17 0.00 0.05 0.00 0.00 38.32 38.11 3iup h ASN 95 CO 0.00 0.62 -0.71 -1.83 -1.65 0.00 0.00 177.43 173.87 3iup s GLU 96 N -4.71 0.69 -0.00 0.81 -1.05 -1.26 -1.35 118.70 111.83 3iup s GLU 96 Ca -0.14 -1.10 -0.09 0.00 -0.15 0.00 0.00 54.97 53.49 3iup s GLU 96 Cb 0.06 -0.19 0.03 0.00 -0.44 0.00 0.00 34.13 33.59 3iup s GLU 96 CO 0.73 -0.00 0.42 0.41 0.95 0.00 0.00 175.26 177.76 3iup n GLY 97 N 0.56 0.56 3.18 -3.83 0.00 -0.71 -4.15 105.19 100.79 3iup n GLY 97 Ca -0.16 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 3iup n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iup s ALA 98 N -1.33 -0.53 0.00 4.61 0.00 0.56 -1.12 121.76 123.94 3iup s ALA 98 Ca 0.10 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.07 3iup s ALA 98 Cb -0.00 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.27 3iup s ALA 98 CO -0.00 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.89 3iup n GLY 99 N 1.15 1.38 3.44 0.00 0.00 -0.17 -1.04 105.19 109.95 3iup n GLY 99 Ca -0.21 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 3iup n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iup s VAL 100 N -2.03 3.05 -0.33 1.61 1.01 -0.70 -1.02 120.40 121.99 3iup s VAL 100 Ca 0.00 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 3iup s VAL 100 Cb 0.00 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 34.17 3iup s VAL 100 CO 0.00 0.57 1.10 -0.69 0.00 0.00 0.00 175.10 176.08 3iup s VAL 101 N -0.33 4.46 -0.15 2.92 1.01 -0.30 -0.33 120.40 127.67 3iup s VAL 101 Ca 0.03 1.67 0.12 0.00 0.00 0.00 0.00 61.98 63.79 3iup s VAL 101 Cb -0.13 -4.40 -0.17 0.00 0.00 0.00 0.00 36.38 31.68 3iup s VAL 101 CO 0.02 -0.51 0.32 1.33 0.00 0.00 0.00 175.10 176.26 3iup n VAL 102 N 5.96 0.00 -3.92 2.92 0.24 -0.31 -1.26 118.33 121.96 3iup n VAL 102 Ca 0.12 -0.26 -0.10 0.00 -2.04 0.00 0.00 64.34 62.06 3iup n VAL 102 Cb 0.47 0.43 -0.11 0.00 -1.47 0.00 0.00 33.84 33.16 3iup n VAL 102 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3iup s GLU 103 N -2.63 0.31 -0.01 7.34 2.02 -1.15 -4.96 118.70 119.62 3iup s GLU 103 Ca -0.02 -0.41 0.02 0.00 0.02 0.00 0.00 54.97 54.58 3iup s GLU 103 Cb 0.08 0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.43 3iup s GLU 103 CO 0.48 -0.06 -0.05 0.00 0.02 0.00 0.00 175.26 175.65 3iup s ALA 104 N -1.12 0.49 1.13 5.21 0.00 -1.26 -0.51 121.76 125.70 3iup s ALA 104 Ca -0.12 -0.20 -0.16 0.00 0.00 0.00 0.00 51.96 51.48 3iup s ALA 104 Cb -0.07 -0.17 0.25 0.00 0.00 0.00 0.00 23.12 23.14 3iup s ALA 104 CO -0.00 0.09 1.07 0.20 0.00 0.00 0.00 175.76 177.13 3iup s GLY 105 N 0.05 1.55 0.53 0.00 0.00 0.23 -4.86 107.32 104.80 3iup s GLY 105 Ca -0.00 -0.57 0.31 0.00 0.00 0.00 0.00 44.72 44.46 3iup s GLY 105 CO -0.00 0.19 1.91 1.48 0.00 0.00 0.00 173.10 176.68 3iup h SER 106 N -2.38 0.00 -4.03 1.64 4.64 -1.76 -3.28 113.55 108.37 3iup h SER 106 Ca -0.52 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.27 3iup h SER 106 Cb 1.32 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 63.52 3iup h SER 106 CO 0.47 0.02 0.55 -0.94 -0.87 0.00 0.00 176.83 176.06 3iup s SER 107 N -5.81 5.60 0.35 4.97 1.04 -0.52 -4.75 113.70 114.57 3iup s SER 107 Ca 0.02 2.56 0.08 0.00 0.48 0.00 0.00 55.95 59.10 3iup s SER 107 Cb 0.08 -2.62 0.80 0.00 0.10 0.00 0.00 66.02 64.39 3iup s SER 107 CO 0.57 -1.33 1.88 -0.65 0.98 0.00 0.00 173.24 174.69 3iup h PRO 108 N 1.63 0.69 -0.56 4.02 0.11 -1.88 0.05 132.00 136.06 3iup h PRO 108 Ca -0.50 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.61 3iup h PRO 108 Cb 1.28 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 3iup h PRO 108 CO 0.58 0.45 0.30 0.00 -0.21 0.00 0.00 178.00 179.13 3iup h ALA 109 N 1.60 0.72 -0.10 -0.75 0.00 -1.91 -0.80 119.26 118.01 3iup h ALA 109 Ca 0.43 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.23 3iup h ALA 109 Cb 0.66 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3iup h ALA 109 CO -0.19 -0.02 -0.40 0.00 0.00 0.00 0.00 179.25 178.64 3iup h ALA 110 N 1.28 0.19 -0.74 0.00 0.00 -1.57 -3.16 119.26 115.26 3iup h ALA 110 Ca 0.24 -0.47 0.11 0.00 0.00 0.00 0.00 54.91 54.79 3iup h ALA 110 Cb 0.12 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3iup h ALA 110 CO -0.15 0.30 0.49 1.96 0.00 0.00 0.00 179.25 181.85 3iup h GLN 111 N 0.03 0.58 0.00 0.00 1.08 -0.89 -1.43 115.11 114.49 3iup h GLN 111 Ca -0.02 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3iup h GLN 111 Cb 1.04 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 3iup h GLN 111 CO 0.08 0.39 0.00 0.00 -0.95 0.00 0.00 178.83 178.35 3iup h ALA 112 N 1.63 1.00 -2.88 3.87 0.00 -1.10 -3.47 119.26 118.31 3iup h ALA 112 Ca 0.35 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.67 3iup h ALA 112 Cb 0.55 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.23 3iup h ALA 112 CO -0.12 0.00 -0.17 -0.51 0.00 0.00 0.00 179.25 178.45 3iup s LEU 113 N -5.48 4.20 0.00 0.00 1.43 -0.54 -4.90 118.68 113.39 3iup s LEU 113 Ca -0.00 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 53.72 3iup s LEU 113 Cb 0.10 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.73 3iup s LEU 113 CO 0.41 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.55 3iup n GLY 115 N 3.66 0.00 3.84 -3.19 0.00 -0.39 -4.64 105.19 104.47 3iup n GLY 115 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 3iup n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iup s LYS 116 N 0.00 4.01 -0.23 1.61 -0.14 -1.26 -4.67 119.74 119.07 3iup s LYS 116 Ca 0.00 0.95 -0.21 0.00 -1.36 0.00 0.00 55.97 55.35 3iup s LYS 116 Cb 0.00 -2.18 -0.02 0.00 -1.68 0.00 0.00 37.83 33.95 3iup s LYS 116 CO 0.00 -0.17 0.65 0.99 -0.76 0.00 0.00 175.35 176.07 3iup s THR 117 N -2.46 4.98 0.15 2.17 2.01 -1.26 -1.15 115.64 120.09 3iup s THR 117 Ca 0.59 1.21 0.05 0.00 0.31 0.00 0.00 61.69 63.85 3iup s THR 117 Cb -0.10 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 3iup s THR 117 CO 0.26 0.06 -0.12 0.68 -0.69 0.00 0.00 174.62 174.80 3iup s VAL 118 N 2.26 1.32 0.13 3.82 -7.23 -0.19 -1.55 120.40 118.96 3iup s VAL 118 Ca 0.28 -1.99 0.09 0.00 -1.81 0.00 0.00 61.98 58.55 3iup s VAL 118 Cb -0.16 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 3iup s VAL 118 CO 0.09 -0.63 -0.17 0.00 -0.31 0.00 0.00 175.10 174.08 3iup s ALA 119 N -2.93 2.71 0.00 1.32 0.00 -0.10 -1.00 121.76 121.77 3iup s ALA 119 Ca 0.16 -1.38 -0.09 0.00 0.00 0.00 0.00 51.96 50.64 3iup s ALA 119 Cb -0.00 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.48 3iup s ALA 119 CO 0.02 0.57 0.18 0.00 0.00 0.00 0.00 175.76 176.54 3iup s ALA 120 N -1.23 -0.45 -0.85 0.00 0.00 -0.28 0.02 121.76 118.98 3iup s ALA 120 Ca 0.19 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.14 3iup s ALA 120 Cb -0.10 0.11 0.32 0.00 0.00 0.00 0.00 23.12 23.45 3iup s ALA 120 CO 0.11 -0.23 1.40 1.51 0.00 0.00 0.00 175.76 178.55 3iup n ILE 121 N 1.36 4.69 0.80 0.00 3.06 -1.26 -1.75 119.36 126.26 3iup n ILE 121 Ca -0.22 -5.79 0.12 0.00 -2.50 0.00 0.00 62.75 54.36 3iup n ILE 121 Cb 0.56 -1.59 0.24 0.00 0.54 0.00 0.00 39.64 39.39 3iup n ILE 121 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3iup n GLY 122 N 0.07 -1.35 0.40 4.50 0.00 -0.99 -4.86 105.19 102.97 3iup n GLY 122 Ca 0.38 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 46.17 3iup n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iup n GLY 123 N 1.42 -2.53 2.70 -0.02 0.00 -0.46 -5.06 105.19 101.25 3iup n GLY 123 Ca 0.05 -1.36 -0.04 0.00 0.00 0.00 0.00 46.02 44.67 3iup n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iup n ALA 124 N -2.69 -2.81 -2.59 4.61 0.00 -0.62 -4.90 120.51 111.51 3iup n ALA 124 Ca -0.02 1.63 -0.08 0.00 0.00 0.00 0.00 53.44 54.97 3iup n ALA 124 Cb 0.19 -3.37 0.00 0.00 0.00 0.00 0.00 19.45 16.27 3iup n ALA 124 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3iup n TYR 126 N 1.97 -0.64 -3.64 0.00 4.01 -0.63 -4.84 117.16 113.40 3iup n TYR 126 Ca -0.28 0.26 -0.15 0.00 -0.16 0.00 0.00 57.90 57.58 3iup n TYR 126 Cb 0.43 -0.72 -0.08 0.00 -0.31 0.00 0.00 39.34 38.66 3iup n TYR 126 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3iup s SER 127 N -1.82 -0.59 0.20 7.72 0.01 -1.26 -1.10 113.70 116.86 3iup s SER 127 Ca 0.03 0.98 -0.08 0.00 1.31 0.00 0.00 55.95 58.18 3iup s SER 127 Cb -0.00 0.97 0.12 0.00 0.21 0.00 0.00 66.02 67.31 3iup s SER 127 CO 0.26 -0.33 1.71 1.56 0.41 0.00 0.00 173.24 176.86 3iup h GLN 128 N 4.54 1.14 -4.39 12.44 4.20 -1.32 -3.40 115.11 128.32 3iup h GLN 128 Ca -0.28 -0.28 -0.33 0.00 0.06 0.00 0.00 58.65 57.82 3iup h GLN 128 Cb 1.16 -0.15 -0.28 0.00 0.30 0.00 0.00 27.48 28.51 3iup h GLN 128 CO 0.22 1.01 -0.76 0.71 -0.67 0.00 0.00 178.83 179.34 3iup s TYR 129 N -5.30 0.53 -0.04 2.96 2.02 -1.26 -1.25 117.35 115.01 3iup s TYR 129 Ca -0.12 -0.12 0.02 0.00 -0.37 0.00 0.00 57.07 56.48 3iup s TYR 129 Cb 0.15 -0.34 0.01 0.00 -0.40 0.00 0.00 41.96 41.38 3iup s TYR 129 CO 0.85 -0.01 -0.08 1.03 -1.57 0.00 0.00 175.55 175.76 3iup s ARG 130 N -0.22 1.09 -0.41 -0.62 1.81 -0.12 -4.96 118.95 115.52 3iup s ARG 130 Ca 0.02 -0.27 -0.15 0.00 -1.72 0.00 0.00 55.73 53.61 3iup s ARG 130 Cb -0.03 -0.99 0.03 0.00 -0.45 0.00 0.00 34.95 33.50 3iup s ARG 130 CO -0.00 0.04 0.30 0.00 -0.68 0.00 0.00 175.30 174.96 3iup s ILE 132 N 1.66 0.53 0.30 0.00 -4.36 -0.32 -4.95 121.20 114.06 3iup s ILE 132 Ca 0.05 -1.73 -0.30 0.00 -0.26 0.00 0.00 60.65 58.41 3iup s ILE 132 Cb -0.20 -1.41 -0.11 0.00 1.25 0.00 0.00 42.46 41.99 3iup s ILE 132 CO 0.09 -0.81 1.55 -2.84 0.24 0.00 0.00 174.94 173.17 3iup s PRO 133 N -3.40 4.15 0.33 0.37 0.02 -1.26 -0.95 135.00 134.26 3iup s PRO 133 Ca 0.06 2.52 0.13 0.00 0.02 0.00 0.00 61.00 63.73 3iup s PRO 133 Cb 0.03 -3.03 1.04 0.00 0.02 0.00 0.00 34.50 32.56 3iup s PRO 133 CO -0.05 -0.57 1.64 0.00 -0.33 0.00 0.00 177.00 177.69 3iup h ALA 134 N 4.55 1.83 0.00 -1.55 0.00 -1.14 0.25 119.26 123.20 3iup h ALA 134 Ca -0.47 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3iup h ALA 134 Cb 1.22 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3iup h ALA 134 CO 0.76 -0.61 0.00 -0.40 0.00 0.00 0.00 179.25 179.00 3iup n ASP 135 N -5.13 0.00 -0.99 0.00 5.68 -1.26 -2.20 116.55 112.64 3iup n ASP 135 Ca 0.30 -0.61 0.10 0.00 -0.50 0.00 0.00 54.79 54.08 3iup n ASP 135 Cb 0.96 -0.05 0.20 0.00 -1.14 0.00 0.00 41.12 41.09 3iup n ASP 135 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3iup n GLN 136 N -1.05 2.39 -3.68 0.11 6.02 0.08 -4.96 117.38 116.29 3iup n GLN 136 Ca 0.16 -2.17 -0.36 0.00 -0.01 0.00 0.00 57.00 54.62 3iup n GLN 136 Cb 0.10 -1.43 -0.07 0.00 1.02 0.00 0.00 30.24 29.86 3iup n GLN 136 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3iup s LEU 138 N 0.00 4.11 -0.01 0.00 2.96 0.10 -4.95 118.68 120.90 3iup s LEU 138 Ca 0.14 -0.35 -0.30 0.00 -0.22 0.00 0.00 54.13 53.40 3iup s LEU 138 Cb -0.12 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 3iup s LEU 138 CO 0.02 -0.15 1.31 -0.69 -1.32 0.00 0.00 176.35 175.52 3iup s VAL 139 N 1.67 3.92 0.43 1.68 1.01 -1.26 -0.92 120.40 126.92 3iup s VAL 139 Ca 0.06 1.29 -0.15 0.00 0.00 0.00 0.00 61.98 63.18 3iup s VAL 139 Cb -0.17 -3.83 -0.08 0.00 0.00 0.00 0.00 36.38 32.30 3iup s VAL 139 CO 0.08 0.01 0.86 -0.76 0.00 0.00 0.00 175.10 175.29 3iup s LEU 140 N 2.19 3.84 0.85 3.92 1.43 -0.60 -4.95 118.68 125.35 3iup s LEU 140 Ca 0.61 1.40 -0.11 0.00 -1.03 0.00 0.00 54.13 54.99 3iup s LEU 140 Cb -0.29 -4.28 0.10 0.00 0.03 0.00 0.00 46.19 41.75 3iup s LEU 140 CO 0.25 -0.41 1.09 -2.16 0.23 0.00 0.00 176.35 175.35 3iup s PRO 141 N -3.61 1.67 0.29 1.29 0.04 -1.26 -4.90 135.00 128.52 3iup s PRO 141 Ca 0.56 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 62.25 3iup s PRO 141 Cb -0.10 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.47 3iup s PRO 141 CO 0.25 -1.99 1.42 -1.91 0.04 0.00 0.00 177.00 174.81 3iup n GLU 142 N -3.73 2.26 -1.00 4.56 4.07 -1.26 -1.65 120.64 123.90 3iup n GLU 142 Ca 0.08 0.80 0.00 0.00 -0.06 0.00 0.00 57.16 57.98 3iup n GLU 142 Cb 0.54 -2.47 0.00 0.00 -0.06 0.00 0.00 31.44 29.45 3iup n GLU 142 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3iup n GLY 143 N 1.60 0.71 3.65 8.31 0.00 -1.26 -5.02 105.19 113.19 3iup n GLY 143 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3iup n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iup s ALA 144 N -2.87 3.56 0.75 4.61 0.00 -0.66 -5.07 121.76 122.08 3iup s ALA 144 Ca 0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 51.96 51.40 3iup s ALA 144 Cb 0.00 -2.85 0.04 0.00 0.00 0.00 0.00 23.12 20.32 3iup s ALA 144 CO 0.00 -0.53 1.10 0.95 0.00 0.00 0.00 175.76 177.28 3iup s THR 145 N 1.84 3.20 0.26 0.00 -4.23 -1.26 -4.91 115.64 110.54 3iup s THR 145 Ca 0.24 0.39 -0.02 0.00 -1.18 0.00 0.00 61.69 61.12 3iup s THR 145 Cb -0.15 -3.28 0.24 0.00 1.34 0.00 0.00 72.50 70.64 3iup s THR 145 CO 0.09 -0.51 1.75 -0.65 -0.54 0.00 0.00 174.62 174.76 3iup h PRO 146 N -0.87 0.54 -0.64 3.99 0.11 -1.91 -1.26 132.00 131.97 3iup h PRO 146 Ca -0.46 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.73 3iup h PRO 146 Cb 1.27 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 32.17 3iup h PRO 146 CO 0.62 0.36 0.21 0.00 -0.21 0.00 0.00 178.00 178.98 3iup h ALA 147 N 1.56 0.83 -0.15 -0.75 0.00 -1.90 0.06 119.26 118.90 3iup h ALA 147 Ca 0.45 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.52 3iup h ALA 147 Cb 0.67 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3iup h ALA 147 CO -0.38 -0.24 0.11 -0.44 0.00 0.00 0.00 179.25 178.30 3iup h ASP 148 N 0.36 0.00 -0.36 0.00 3.32 -1.59 -2.84 116.42 115.31 3iup h ASP 148 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 3iup h ASP 148 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3iup h ASP 148 CO -0.37 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.76 3iup n GLY 149 N -1.57 2.28 0.24 2.75 0.00 -0.47 -4.69 105.19 103.73 3iup n GLY 149 Ca 0.01 -0.44 0.08 0.00 0.00 0.00 0.00 46.02 45.67 3iup n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iup h ALA 150 N 2.48 1.57 -0.82 4.61 0.00 -0.78 -2.88 119.26 123.43 3iup h ALA 150 Ca 0.00 -0.13 -0.56 0.00 0.00 0.00 0.00 54.91 54.21 3iup h ALA 150 Cb 0.75 -0.02 -0.42 0.00 0.00 0.00 0.00 17.79 18.10 3iup h ALA 150 CO 0.00 0.18 -0.66 0.43 0.00 0.00 0.00 179.25 179.20 3iup n SER 151 N -4.09 5.17 0.23 0.00 7.64 -1.26 -3.81 113.62 117.49 3iup n SER 151 Ca -0.02 -3.75 0.12 0.00 1.01 0.00 0.00 58.87 56.22 3iup n SER 151 Cb 0.22 -0.41 0.36 0.00 -1.01 0.00 0.00 64.21 63.38 3iup n SER 151 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3iup h SER 152 N 2.19 0.00 0.00 6.43 0.02 -1.84 -3.39 113.55 116.96 3iup h SER 152 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 3iup h SER 152 Cb 1.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.97 3iup h SER 152 CO 0.84 0.11 -0.60 0.49 -1.14 0.00 0.00 176.83 176.53 3iup n PHE 153 N -3.17 0.00 0.33 3.45 3.72 -1.26 -4.52 117.46 116.01 3iup n PHE 153 Ca 0.02 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.26 3iup n PHE 153 Cb 0.47 -0.30 -0.08 0.00 -0.94 0.00 0.00 39.48 38.63 3iup n PHE 153 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3iup h VAL 154 N -0.60 0.29 -0.08 -4.37 2.07 -1.96 -1.59 116.25 110.01 3iup h VAL 154 Ca 0.00 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 3iup h VAL 154 Cb 0.60 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3iup h VAL 154 CO 0.00 0.03 -0.25 0.78 0.02 0.00 0.00 177.57 178.15 3iup h ASN 155 N -1.02 0.35 -0.63 0.57 2.35 -1.90 -2.51 115.58 112.80 3iup h ASN 155 Ca -0.09 -0.61 -0.03 0.00 -0.55 0.00 0.00 56.30 55.02 3iup h ASN 155 Cb 0.69 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.93 3iup h ASN 155 CO 0.14 0.90 0.27 -0.65 -1.65 0.00 0.00 177.43 176.45 3iup h PRO 156 N -0.18 0.92 -0.00 0.81 0.11 -1.76 -0.11 132.00 131.80 3iup h PRO 156 Ca -0.01 -0.15 -0.16 0.00 0.11 0.00 0.00 66.00 65.78 3iup h PRO 156 Cb 0.87 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 3iup h PRO 156 CO 0.05 0.76 -0.77 -0.07 -0.21 0.00 0.00 178.00 177.77 3iup h LEU 157 N 0.87 0.05 -0.33 2.35 3.38 -1.39 -1.21 115.31 119.03 3iup h LEU 157 Ca 0.21 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 3iup h LEU 157 Cb 0.17 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3iup h LEU 157 CO -0.02 0.80 -0.07 0.74 0.09 0.00 0.00 178.44 179.98 3iup h THR 158 N 0.02 1.28 -0.20 0.22 2.02 -1.21 0.32 112.91 115.36 3iup h THR 158 Ca -0.01 -1.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.06 3iup h THR 158 Cb 1.35 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 3iup h THR 158 CO 0.10 0.36 0.11 0.00 0.37 0.00 0.00 175.52 176.47 3iup h ALA 159 N 0.81 0.26 -0.66 6.16 0.00 -0.87 -1.94 119.26 123.03 3iup h ALA 159 Ca 0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3iup h ALA 159 Cb 0.56 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3iup h ALA 159 CO 0.03 -0.21 0.30 -0.07 0.00 0.00 0.00 179.25 179.30 3iup h LEU 160 N 0.23 0.85 -3.07 0.00 3.38 -1.19 -3.07 115.31 112.44 3iup h LEU 160 Ca 0.07 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3iup h LEU 160 Cb 0.06 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3iup h LEU 160 CO -0.01 0.73 0.00 0.61 0.09 0.00 0.00 178.44 179.86 3iup n GLY 161 N -1.09 0.81 0.00 0.83 0.00 0.11 -0.67 105.19 105.19 3iup n GLY 161 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3iup n GLY 161 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3iup n VAL 163 N 1.48 0.00 -0.03 1.61 0.31 -1.16 -0.53 118.33 120.01 3iup n VAL 163 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 3iup n VAL 163 Cb 0.13 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.02 3iup n VAL 163 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3iup h GLU 164 N 0.00 0.19 -1.70 5.55 4.57 -1.19 -1.89 114.58 120.12 3iup h GLU 164 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3iup h GLU 164 Cb 0.00 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 3iup h GLU 164 CO 0.00 0.13 0.00 2.41 -1.18 0.00 0.00 179.01 180.37 3iup n THR 165 N -5.00 0.00 0.00 0.32 -1.04 0.32 -0.66 114.28 108.21 3iup n THR 165 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3iup n THR 165 Cb 0.05 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.14 3iup n THR 165 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3iup n ARG 167 N 0.92 0.00 -0.08 -2.82 1.74 -0.71 -1.21 116.66 114.49 3iup n ARG 167 Ca 0.00 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.14 3iup n ARG 167 Cb 0.00 0.00 0.40 0.00 -1.02 0.00 0.00 32.46 31.84 3iup n ARG 167 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3iup h LEU 168 N 0.00 0.54 -2.60 0.55 3.38 -1.16 -2.66 115.31 113.36 3iup h LEU 168 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3iup h LEU 168 Cb 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3iup h LEU 168 CO 0.00 0.37 0.00 -0.62 0.09 0.00 0.00 178.44 178.28 3iup n GLU 169 N -4.47 2.64 -0.78 1.13 1.02 -0.35 -4.94 120.64 114.89 3iup n GLU 169 Ca 0.07 -2.55 0.00 0.00 -0.02 0.00 0.00 57.16 54.66 3iup n GLU 169 Cb 0.15 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 3iup n GLU 169 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iup n GLY 170 N 1.63 0.74 3.91 0.62 0.00 -1.00 -5.06 105.19 106.03 3iup n GLY 170 Ca 0.24 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 3iup n GLY 170 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3iup s HIS 171 N -2.00 3.35 -0.19 1.61 3.76 -1.26 -5.03 115.29 115.53 3iup s HIS 171 Ca 0.00 -0.00 0.07 0.00 -0.15 0.00 0.00 55.06 54.98 3iup s HIS 171 Cb 0.00 -1.55 -0.09 0.00 1.11 0.00 0.00 32.58 32.05 3iup s HIS 171 CO 0.00 0.49 0.23 -1.13 -0.85 0.00 0.00 174.74 173.48 3iup n SER 172 N -0.99 1.61 -3.87 1.40 3.41 -1.26 -4.15 113.62 109.77 3iup n SER 172 Ca -0.08 -0.38 -0.09 0.00 -0.26 0.00 0.00 58.87 58.05 3iup n SER 172 Cb 0.56 1.14 -0.06 0.00 -0.26 0.00 0.00 64.21 65.59 3iup n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iup s ALA 173 N -2.00 -0.39 0.09 7.33 0.00 -1.26 -4.56 121.76 120.96 3iup s ALA 173 Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.34 3iup s ALA 173 Cb 0.05 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 3iup s ALA 173 CO 0.29 -0.72 0.01 -0.48 0.00 0.00 0.00 175.76 174.86 3iup s LEU 174 N -2.93 2.15 -0.02 0.00 2.34 -1.00 -3.31 118.68 115.92 3iup s LEU 174 Ca 0.14 -1.10 0.04 0.00 0.06 0.00 0.00 54.13 53.28 3iup s LEU 174 Cb 0.01 0.24 -0.03 0.00 -0.56 0.00 0.00 46.19 45.85 3iup s LEU 174 CO -0.01 -0.66 -0.14 -0.69 -1.06 0.00 0.00 176.35 173.80 3iup s VAL 175 N -3.97 3.10 -0.03 1.48 1.01 -0.13 -0.78 120.40 121.08 3iup s VAL 175 Ca 0.15 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3iup s VAL 175 Cb 0.08 -2.26 0.03 0.00 0.00 0.00 0.00 36.38 34.22 3iup s VAL 175 CO -0.04 0.49 0.00 -2.28 0.00 0.00 0.00 175.10 173.27 3iup s HIS 176 N -0.83 0.25 0.43 5.22 5.04 -0.25 -0.28 115.29 124.87 3iup s HIS 176 Ca 0.13 0.02 0.08 0.00 -1.54 0.00 0.00 55.06 53.76 3iup s HIS 176 Cb -0.11 -0.35 0.01 0.00 0.04 0.00 0.00 32.58 32.17 3iup s HIS 176 CO 0.03 -0.11 0.56 0.95 -2.34 0.00 0.00 174.74 173.83 3iup s THR 177 N 0.94 2.94 -1.59 0.89 -4.23 -0.67 -0.90 115.64 113.02 3iup s THR 177 Ca -0.09 -1.03 -0.09 0.00 -1.18 0.00 0.00 61.69 59.31 3iup s THR 177 Cb -0.13 -2.97 0.08 0.00 1.34 0.00 0.00 72.50 70.82 3iup s THR 177 CO -0.02 0.00 0.44 0.00 -0.54 0.00 0.00 174.62 174.50 3iup n ALA 178 N -1.84 -1.68 0.43 3.99 0.00 -0.76 -4.41 120.51 116.23 3iup n ALA 178 Ca 0.08 -0.22 0.11 0.00 0.00 0.00 0.00 53.44 53.41 3iup n ALA 178 Cb 0.59 -2.03 0.46 0.00 0.00 0.00 0.00 19.45 18.48 3iup n ALA 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iup n ALA 179 N -4.40 1.71 1.52 0.00 0.00 -0.59 -1.14 120.51 117.61 3iup n ALA 179 Ca -0.15 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.47 3iup n ALA 179 Cb 0.60 -1.37 0.50 0.00 0.00 0.00 0.00 19.45 19.17 3iup n ALA 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iup n ALA 180 N -1.73 2.57 -0.80 0.00 0.00 -1.26 -3.13 120.51 116.15 3iup n ALA 180 Ca 0.03 -0.39 -0.32 0.00 0.00 0.00 0.00 53.44 52.75 3iup n ALA 180 Cb 0.24 -1.19 0.15 0.00 0.00 0.00 0.00 19.45 18.65 3iup n ALA 180 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3iup n SER 181 N -0.06 0.00 -0.22 0.00 3.41 -0.29 -4.64 113.62 111.82 3iup n SER 181 Ca 0.17 0.44 0.02 0.00 -0.26 0.00 0.00 58.87 59.24 3iup n SER 181 Cb 0.26 -1.43 0.11 0.00 -0.26 0.00 0.00 64.21 62.89 3iup n SER 181 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3iup h ASN 182 N -1.60 -0.35 -0.75 4.04 4.21 -1.89 -0.54 115.58 118.70 3iup h ASN 182 Ca -0.44 0.17 -0.02 0.00 1.21 0.00 0.00 56.30 57.23 3iup h ASN 182 Cb 1.28 0.31 -0.04 0.00 -1.12 0.00 0.00 38.32 38.76 3iup h ASN 182 CO 0.41 -0.15 0.40 0.25 -1.29 0.00 0.00 177.43 177.05 3iup h LEU 183 N 0.09 0.95 -0.98 1.61 6.46 -1.92 -2.68 115.31 118.85 3iup h LEU 183 Ca 0.34 -0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 58.00 3iup h LEU 183 Cb 0.57 -0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 40.21 3iup h LEU 183 CO -0.59 0.78 0.59 1.23 -0.62 0.00 0.00 178.44 179.83 3iup h GLY 184 N 1.04 1.38 -1.54 3.75 0.00 -1.55 0.85 103.07 107.00 3iup h GLY 184 Ca 0.26 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3iup h GLY 184 CO -0.04 0.54 0.00 -1.06 0.00 0.00 0.00 176.54 175.98 3iup n GLN 185 N -4.36 0.16 0.00 4.80 6.02 -0.27 -1.17 117.38 122.55 3iup n GLN 185 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 3iup n GLN 185 Cb 0.05 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.04 3iup n GLN 185 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3iup n LEU 187 N 0.69 0.00 -0.30 1.08 7.94 0.29 -2.29 117.00 124.42 3iup n LEU 187 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 3iup n LEU 187 Cb 0.06 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.08 3iup n LEU 187 CO 0.00 0.00 1.14 -1.13 -1.11 0.00 0.00 177.39 176.29 3iup h ASN 188 N 0.00 1.01 -0.76 1.96 -1.24 -1.41 -0.93 115.58 114.22 3iup h ASN 188 Ca 0.00 -0.10 -0.06 0.00 0.71 0.00 0.00 56.30 56.85 3iup h ASN 188 Cb 0.00 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 38.76 3iup h ASN 188 CO 0.00 0.81 0.24 1.56 -1.29 0.00 0.00 177.43 178.76 3iup h GLN 189 N 1.12 1.17 -0.03 6.67 1.08 -1.72 -1.14 115.11 122.27 3iup h GLN 189 Ca 0.29 -0.25 0.01 0.00 -1.45 0.00 0.00 58.65 57.25 3iup h GLN 189 Cb 0.03 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.27 3iup h GLN 189 CO -0.05 0.99 -0.05 0.82 -0.95 0.00 0.00 178.83 179.59 3iup h ILE 190 N 1.13 0.86 -0.37 2.54 2.04 -1.75 -0.84 117.51 121.12 3iup h ILE 190 Ca 0.24 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.02 3iup h ILE 190 Cb 0.30 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 3iup h ILE 190 CO -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 178.15 178.03 3iup h LEU 192 N 0.59 0.40 -0.40 0.00 3.38 -1.08 0.14 115.31 118.33 3iup h LEU 192 Ca 0.10 -0.18 -0.17 0.00 0.09 0.00 0.00 57.88 57.72 3iup h LEU 192 Cb 0.54 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3iup h LEU 192 CO 0.03 0.48 -0.50 0.50 0.09 0.00 0.00 178.44 179.04 3iup h LYS 193 N 0.30 0.79 -0.01 1.13 3.64 -0.80 -3.17 116.57 118.46 3iup h LYS 193 Ca 0.09 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3iup h LYS 193 Cb 0.21 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3iup h LYS 193 CO -0.01 1.10 -0.24 -0.25 -2.27 0.00 0.00 179.45 177.78 3iup n ASP 194 N -4.01 1.01 -1.64 4.20 9.92 0.52 -4.97 116.55 121.58 3iup n ASP 194 Ca -0.03 -0.89 -0.10 0.00 -0.53 0.00 0.00 54.79 53.24 3iup n ASP 194 Cb 0.60 0.12 0.02 0.00 -0.64 0.00 0.00 41.12 41.22 3iup n ASP 194 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3iup n GLY 195 N 1.33 0.23 3.75 0.44 0.00 0.31 -5.03 105.19 106.23 3iup n GLY 195 Ca 0.12 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 3iup n GLY 195 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iup s ILE 196 N -2.97 5.36 0.20 -0.61 1.01 -0.22 -5.04 121.20 118.93 3iup s ILE 196 Ca 0.19 0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.71 3iup s ILE 196 Cb -0.08 -3.42 -0.08 0.00 0.01 0.00 0.00 42.46 38.88 3iup s ILE 196 CO 0.24 0.48 1.13 -0.54 0.00 0.00 0.00 174.94 176.24 3iup s LYS 197 N 0.10 4.57 -0.07 2.79 1.02 -1.26 -4.56 119.74 122.33 3iup s LYS 197 Ca 0.09 1.78 -0.04 0.00 0.02 0.00 0.00 55.97 57.82 3iup s LYS 197 Cb -0.11 -3.25 0.03 0.00 -0.52 0.00 0.00 37.83 33.98 3iup s LYS 197 CO -0.01 0.05 0.16 -1.17 -0.92 0.00 0.00 175.35 173.46 3iup s LEU 198 N -0.54 0.98 -0.24 3.17 2.96 -1.26 -2.37 118.68 121.39 3iup s LEU 198 Ca 0.49 0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 54.68 3iup s LEU 198 Cb -0.31 0.48 -0.01 0.00 0.50 0.00 0.00 46.19 46.85 3iup s LEU 198 CO 0.37 -0.11 0.01 -0.69 -1.32 0.00 0.00 176.35 174.61 3iup s VAL 199 N 0.71 3.75 -0.14 1.68 1.01 0.04 -4.16 120.40 123.29 3iup s VAL 199 Ca -0.05 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 3iup s VAL 199 Cb -0.07 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 3iup s VAL 199 CO -0.04 0.35 0.30 0.20 0.00 0.00 0.00 175.10 175.91 3iup s ASN 200 N 1.53 6.47 -0.12 3.32 0.01 -0.28 -1.09 114.94 124.77 3iup s ASN 200 Ca 0.05 0.55 0.01 0.00 -0.71 0.00 0.00 52.86 52.77 3iup s ASN 200 Cb -0.15 -2.18 -0.01 0.00 0.41 0.00 0.00 41.25 39.32 3iup s ASN 200 CO -0.00 0.14 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.92 3iup s ILE 201 N 0.24 2.60 0.45 0.60 1.01 -0.08 -0.29 121.20 125.73 3iup s ILE 201 Ca 0.17 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 60.03 3iup s ILE 201 Cb -0.13 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 3iup s ILE 201 CO 0.05 0.54 0.06 0.68 0.00 0.00 0.00 174.94 176.26 3iup s VAL 202 N 0.44 1.00 -0.55 2.92 -7.23 -0.19 -1.53 120.40 115.26 3iup s VAL 202 Ca -0.13 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.09 3iup s VAL 202 Cb -0.17 -2.36 0.02 0.00 0.56 0.00 0.00 36.38 34.44 3iup s VAL 202 CO 0.06 0.00 0.56 -2.11 -0.31 0.00 0.00 175.10 173.30 3iup n ARG 203 N -1.05 1.01 -3.87 4.82 1.85 -1.26 -0.97 116.66 117.20 3iup n ARG 203 Ca -0.11 -0.63 -0.12 0.00 -1.00 0.00 0.00 57.85 55.99 3iup n ARG 203 Cb 0.66 -1.01 -0.13 0.00 -1.05 0.00 0.00 32.46 30.92 3iup n ARG 203 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 3iup s LYS 204 N -0.66 0.07 0.32 2.89 1.02 -1.26 -4.32 119.74 117.80 3iup s LYS 204 Ca 0.05 -0.00 0.01 0.00 0.02 0.00 0.00 55.97 56.05 3iup s LYS 204 Cb 0.04 0.03 0.57 0.00 -0.52 0.00 0.00 37.83 37.95 3iup s LYS 204 CO 0.09 -0.01 1.95 0.37 -0.92 0.00 0.00 175.35 176.84 3iup h GLN 205 N 5.97 0.94 -0.10 1.68 5.75 -1.98 -1.74 115.11 125.64 3iup h GLN 205 Ca -0.25 -0.06 0.03 0.00 -0.15 0.00 0.00 58.65 58.22 3iup h GLN 205 Cb 1.21 -0.21 -0.00 0.00 1.07 0.00 0.00 27.48 29.54 3iup h GLN 205 CO 0.48 0.62 0.08 1.05 -2.65 0.00 0.00 178.83 178.42 3iup h GLU 206 N 0.97 0.00 -0.15 1.69 4.11 -1.99 0.52 114.58 119.73 3iup h GLU 206 Ca 0.32 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.59 3iup h GLU 206 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3iup h GLU 206 CO -0.10 0.00 -0.59 1.96 0.07 0.00 0.00 179.01 180.35 3iup h GLN 207 N 0.00 0.51 -0.59 1.06 4.20 -1.74 -1.79 115.11 116.75 3iup h GLN 207 Ca 0.05 -0.34 -0.05 0.00 0.06 0.00 0.00 58.65 58.37 3iup h GLN 207 Cb 0.21 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 3iup h GLN 207 CO -0.00 0.95 0.19 0.00 -0.67 0.00 0.00 178.83 179.30 3iup h ALA 208 N 0.97 0.77 -0.41 3.87 0.00 -0.84 -2.06 119.26 121.56 3iup h ALA 208 Ca -0.00 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.77 3iup h ALA 208 Cb 1.14 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 3iup h ALA 208 CO 0.11 0.43 0.11 -0.44 0.00 0.00 0.00 179.25 179.46 3iup h ASP 209 N 0.83 0.08 -0.04 0.00 3.32 -0.99 -0.49 116.42 119.12 3iup h ASP 209 Ca 0.19 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.33 3iup h ASP 209 Cb 0.28 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 3iup h ASP 209 CO -0.01 0.08 -0.20 0.25 -1.72 0.00 0.00 179.24 177.64 3iup h LEU 210 N 0.26 -0.60 -0.63 1.55 6.46 -1.16 -1.09 115.31 120.10 3iup h LEU 210 Ca 0.19 0.09 -0.11 0.00 -0.12 0.00 0.00 57.88 57.94 3iup h LEU 210 Cb 0.21 0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 3iup h LEU 210 CO -0.23 -0.26 -0.09 -0.07 -0.62 0.00 0.00 178.44 177.17 3iup h LEU 211 N -0.30 0.98 -1.20 2.25 3.38 -1.08 -2.32 115.31 117.01 3iup h LEU 211 Ca 0.07 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3iup h LEU 211 Cb 0.40 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3iup h LEU 211 CO -0.22 1.08 0.31 0.11 0.09 0.00 0.00 178.44 179.82 3iup h LYS 212 N 0.88 0.86 0.00 1.13 1.79 -0.93 -1.15 116.57 119.16 3iup h LYS 212 Ca 0.14 -0.10 -0.05 0.00 -2.18 0.00 0.00 60.65 58.46 3iup h LYS 212 Cb 0.64 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 3iup h LYS 212 CO 0.04 0.66 -0.24 0.00 -1.08 0.00 0.00 179.45 178.83 3iup h ALA 213 N 1.48 1.35 -0.27 3.86 0.00 -0.86 -1.56 119.26 123.25 3iup h ALA 213 Ca 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iup h ALA 213 Cb 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3iup h ALA 213 CO -0.03 0.30 0.00 1.04 0.00 0.00 0.00 179.25 180.56 3iup n GLN 214 N -3.88 1.67 -0.43 0.00 6.02 -0.54 -4.93 117.38 115.29 3iup n GLN 214 Ca -0.02 -1.03 0.00 0.00 -0.01 0.00 0.00 57.00 55.94 3iup n GLN 214 Cb 0.33 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.34 3iup n GLN 214 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iup n GLY 215 N 0.98 0.75 3.68 1.08 0.00 -0.59 -4.92 105.19 106.18 3iup n GLY 215 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 3iup n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iup n ALA 216 N -0.72 1.56 0.00 4.61 0.00 -0.59 -4.91 120.51 120.45 3iup n ALA 216 Ca 0.00 0.42 -0.17 0.00 0.00 0.00 0.00 53.44 53.69 3iup n ALA 216 Cb 0.00 -2.35 -0.13 0.00 0.00 0.00 0.00 19.45 16.97 3iup n ALA 216 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3iup h VAL 217 N 3.40 1.53 -3.15 0.00 2.07 -1.90 -3.43 116.25 114.78 3iup h VAL 217 Ca -0.45 -2.22 -0.57 0.00 0.82 0.00 0.00 66.70 64.27 3iup h VAL 217 Cb 1.25 2.93 -0.36 0.00 -1.52 0.00 0.00 31.29 33.59 3iup h VAL 217 CO 0.84 0.62 -0.82 -1.00 0.02 0.00 0.00 177.57 177.23 3iup s HIS 218 N -2.82 1.92 -0.04 1.57 3.76 -1.26 -5.10 115.29 113.31 3iup s HIS 218 Ca -0.15 -1.04 -0.00 0.00 -0.15 0.00 0.00 55.06 53.72 3iup s HIS 218 Cb 0.01 -1.46 0.03 0.00 1.11 0.00 0.00 32.58 32.27 3iup s HIS 218 CO 0.79 -0.61 0.01 0.08 -0.85 0.00 0.00 174.74 174.16 3iup s VAL 219 N 1.54 0.21 -0.06 -0.90 1.01 -1.26 -1.12 120.40 119.82 3iup s VAL 219 Ca 0.04 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.21 3iup s VAL 219 Cb -0.13 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 3iup s VAL 219 CO -0.09 0.19 -0.19 0.00 0.00 0.00 0.00 175.10 175.00 3iup s ASN 221 N -0.38 5.50 0.59 0.00 2.47 -1.26 -1.02 114.94 120.83 3iup s ASN 221 Ca 0.03 -0.22 0.29 0.00 0.42 0.00 0.00 52.86 53.38 3iup s ASN 221 Cb -0.12 -2.00 1.77 0.00 -1.45 0.00 0.00 41.25 39.45 3iup s ASN 221 CO 0.02 -0.08 2.22 0.00 -3.72 0.00 0.00 177.10 175.54 3iup h ALA 222 N 8.31 1.60 0.00 1.71 0.00 -1.34 0.12 119.26 129.65 3iup h ALA 222 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3iup h ALA 222 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3iup h ALA 222 CO 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.76 3iup n ALA 223 N -2.33 2.08 -1.81 0.00 0.00 -1.26 -4.87 120.51 112.32 3iup n ALA 223 Ca -0.02 -0.05 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 3iup n ALA 223 Cb 0.14 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.17 3iup n ALA 223 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3iup s SER 224 N -3.49 6.56 0.13 0.00 0.15 0.03 -4.89 113.70 112.19 3iup s SER 224 Ca 0.10 2.81 0.17 0.00 0.70 0.00 0.00 55.95 59.73 3iup s SER 224 Cb 0.14 -2.64 0.75 0.00 -1.71 0.00 0.00 66.02 62.56 3iup s SER 224 CO 0.46 -0.74 1.53 -0.81 1.20 0.00 0.00 173.24 174.88 3iup n PRO 225 N 1.55 0.09 -0.63 5.44 -0.04 -1.26 -2.01 135.00 138.14 3iup n PRO 225 Ca 0.04 0.38 0.01 0.00 -0.04 0.00 0.00 63.50 63.90 3iup n PRO 225 Cb 0.40 -1.69 0.22 0.00 -0.04 0.00 0.00 33.50 32.38 3iup n PRO 225 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3iup n THR 226 N -1.86 2.42 0.00 0.52 -2.24 -1.26 -4.99 114.28 106.87 3iup n THR 226 Ca 0.02 -2.40 0.00 0.00 -2.27 0.00 0.00 64.05 59.40 3iup n THR 226 Cb 0.16 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 3iup n THR 226 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3iup n PHE 227 N -0.93 0.00 0.00 4.78 7.35 -0.85 -0.69 117.46 127.11 3iup n PHE 227 Ca 0.28 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.97 3iup n PHE 227 Cb 0.96 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.79 3iup n PHE 227 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 3iup n GLN 229 N 0.13 0.00 -0.18 -4.13 7.27 -1.26 -0.21 117.38 118.99 3iup n GLN 229 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.00 3iup n GLN 229 Cb 0.00 0.00 0.02 0.00 2.41 0.00 0.00 30.24 32.67 3iup n GLN 229 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 3iup h ASP 230 N 0.00 0.67 -0.37 1.69 3.32 -1.35 -1.16 116.42 119.23 3iup h ASP 230 Ca 0.00 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 3iup h ASP 230 Cb 0.00 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3iup h ASP 230 CO 0.00 0.57 -0.04 0.25 -1.72 0.00 0.00 179.24 178.30 3iup h LEU 231 N 0.71 0.68 -0.56 1.55 5.85 -0.84 -0.59 115.31 122.11 3iup h LEU 231 Ca 0.19 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 3iup h LEU 231 Cb 0.06 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3iup h LEU 231 CO -0.03 0.85 0.35 0.74 -0.34 0.00 0.00 178.44 180.01 3iup h THR 232 N 0.49 1.16 -0.37 1.05 2.02 -1.75 0.22 112.91 115.72 3iup h THR 232 Ca 0.10 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 3iup h THR 232 Cb 0.53 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 3iup h THR 232 CO 0.03 0.16 0.21 -0.33 0.37 0.00 0.00 175.52 175.96 3iup h GLU 233 N 0.75 0.52 -0.92 6.66 5.08 -0.95 0.48 114.58 126.21 3iup h GLU 233 Ca 0.20 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 3iup h GLU 233 Cb -0.04 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.05 3iup h GLU 233 CO -0.04 0.41 0.59 0.00 -1.00 0.00 0.00 179.01 178.97 3iup h ALA 234 N 1.08 1.25 -0.38 3.43 0.00 -0.47 -0.98 119.26 123.19 3iup h ALA 234 Ca 0.13 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3iup h ALA 234 Cb 0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3iup h ALA 234 CO -0.02 0.40 -0.20 -0.07 0.00 0.00 0.00 179.25 179.36 3iup h LEU 235 N 1.10 0.72 -0.39 0.00 3.38 -0.04 -0.17 115.31 119.91 3iup h LEU 235 Ca 0.38 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3iup h LEU 235 Cb 0.10 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3iup h LEU 235 CO -0.15 0.91 0.25 0.58 0.09 0.00 0.00 178.44 180.12 3iup h VAL 236 N 0.64 1.11 -0.29 1.22 2.07 -0.52 -0.39 116.25 120.09 3iup h VAL 236 Ca 0.10 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3iup h VAL 236 Cb 0.68 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3iup h VAL 236 CO 0.05 0.11 0.16 -1.28 0.02 0.00 0.00 177.57 176.63 3iup h SER 237 N 0.52 0.36 0.85 0.57 0.87 -0.95 -3.29 113.55 112.48 3iup h SER 237 Ca 0.14 -0.09 -0.16 0.00 -1.23 0.00 0.00 61.79 60.45 3iup h SER 237 Cb -0.03 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 3iup h SER 237 CO -0.03 0.34 -1.24 0.71 -0.53 0.00 0.00 176.83 176.09 3iup h THR 238 N 0.34 0.60 -0.43 2.23 1.35 -0.98 -3.48 112.91 112.54 3iup h THR 238 Ca 0.10 -2.08 -0.18 0.00 -0.55 0.00 0.00 66.41 63.70 3iup h THR 238 Cb 0.07 2.13 -0.07 0.00 -1.73 0.00 0.00 68.15 68.54 3iup h THR 238 CO -0.02 0.34 -0.17 0.61 -0.25 0.00 0.00 175.52 176.04 3iup n GLY 239 N 1.36 1.05 3.73 5.82 0.00 -0.16 -4.66 105.19 112.34 3iup n GLY 239 Ca -0.07 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 3iup n GLY 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iup s ALA 240 N -2.25 3.61 0.00 4.61 0.00 -1.26 -4.53 121.76 121.94 3iup s ALA 240 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.17 3iup s ALA 240 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3iup s ALA 240 CO 0.00 -0.65 0.53 0.25 0.00 0.00 0.00 175.76 175.89 3iup n THR 241 N 3.03 0.28 -4.71 0.00 -2.24 -1.21 -4.95 114.28 104.49 3iup n THR 241 Ca 0.09 -0.37 -0.24 0.00 -2.27 0.00 0.00 64.05 61.26 3iup n THR 241 Cb 0.41 1.07 -0.15 0.00 -2.10 0.00 0.00 70.33 69.56 3iup n THR 241 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3iup s ILE 242 N -0.28 1.21 0.05 2.28 2.07 -1.25 -1.08 121.20 124.20 3iup s ILE 242 Ca 0.00 -0.63 0.06 0.00 -1.41 0.00 0.00 60.65 58.67 3iup s ILE 242 Cb 0.00 -1.02 -0.02 0.00 0.13 0.00 0.00 42.46 41.54 3iup s ILE 242 CO 0.00 0.35 -0.17 0.00 -1.91 0.00 0.00 174.94 173.21 3iup s ALA 243 N -0.20 1.44 -0.25 1.50 0.00 0.26 -0.96 121.76 123.55 3iup s ALA 243 Ca 0.03 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 3iup s ALA 243 Cb -0.08 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.83 3iup s ALA 243 CO 0.00 0.29 -0.05 -0.06 0.00 0.00 0.00 175.76 175.95 3iup s PHE 244 N -0.89 3.08 -0.26 0.00 0.40 0.62 -0.32 117.98 120.61 3iup s PHE 244 Ca 0.04 -1.49 -0.07 0.00 -0.60 0.00 0.00 56.93 54.81 3iup s PHE 244 Cb -0.08 -2.08 -0.02 0.00 0.51 0.00 0.00 43.02 41.34 3iup s PHE 244 CO 0.02 -0.71 0.07 0.34 0.70 0.00 0.00 175.22 175.63 3iup s ASP 245 N 1.34 5.09 0.13 1.36 2.15 0.59 -1.67 116.67 125.66 3iup s ASP 245 Ca 0.00 -0.29 0.25 0.00 0.43 0.00 0.00 52.55 52.95 3iup s ASP 245 Cb -0.17 -1.91 0.57 0.00 -0.30 0.00 0.00 42.92 41.11 3iup s ASP 245 CO -0.04 -0.06 1.51 0.00 -0.17 0.00 0.00 175.17 176.42 3iup n ALA 246 N 4.91 2.75 -0.04 3.66 0.00 -1.26 -1.59 120.51 128.94 3iup n ALA 246 Ca -0.16 -0.18 -0.15 0.00 0.00 0.00 0.00 53.44 52.95 3iup n ALA 246 Cb 0.51 -1.28 -0.13 0.00 0.00 0.00 0.00 19.45 18.55 3iup n ALA 246 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3iup h THR 247 N 0.00 1.70 0.00 0.00 1.35 -1.91 -1.55 112.91 112.50 3iup h THR 247 Ca 0.00 -2.33 0.00 0.00 -0.55 0.00 0.00 66.41 63.53 3iup h THR 247 Cb 0.70 3.26 0.00 0.00 -1.73 0.00 0.00 68.15 70.38 3iup h THR 247 CO 0.00 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 176.50 3iup n GLY 248 N 1.54 2.15 3.47 5.82 0.00 -1.23 -0.78 105.19 116.16 3iup n GLY 248 Ca -0.11 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 3iup n GLY 248 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iup s GLY 249 N 0.00 1.51 0.00 -0.02 0.00 -0.72 -4.57 107.32 103.52 3iup s GLY 249 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.87 3iup s GLY 249 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.78 3iup n GLY 250 N 0.07 0.54 0.15 0.20 0.00 -0.48 -4.43 105.19 101.24 3iup n GLY 250 Ca 0.12 -0.79 0.06 0.00 0.00 0.00 0.00 46.02 45.41 3iup n GLY 250 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iup n LYS 251 N 0.63 2.51 -0.22 1.61 5.02 -1.26 -1.70 118.16 124.74 3iup n LYS 251 Ca 0.00 -0.37 -0.06 0.00 -2.02 0.00 0.00 58.31 55.86 3iup n LYS 251 Cb 0.00 -1.10 0.10 0.00 -0.02 0.00 0.00 35.03 34.01 3iup n LYS 251 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3iup h LEU 252 N 0.74 0.99 -0.22 -0.35 5.85 -1.87 -1.15 115.31 119.31 3iup h LEU 252 Ca 0.00 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.54 3iup h LEU 252 Cb 0.35 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3iup h LEU 252 CO 0.00 0.94 0.11 1.23 -0.34 0.00 0.00 178.44 180.38 3iup h GLY 253 N 1.07 0.29 1.31 3.75 0.00 -1.87 -0.58 103.07 107.04 3iup h GLY 253 Ca 0.22 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.35 3iup h GLY 253 CO -0.00 0.07 -0.24 -1.33 0.00 0.00 0.00 176.54 175.03 3iup h GLY 254 N 0.24 0.85 0.49 4.60 0.00 -1.77 -2.13 103.07 105.35 3iup h GLY 254 Ca 0.09 -0.75 0.07 0.00 0.00 0.00 0.00 47.33 46.74 3iup h GLY 254 CO -0.05 0.68 0.16 1.46 0.00 0.00 0.00 176.54 178.79 3iup h GLN 255 N 0.68 0.32 -0.20 4.80 4.20 -0.85 0.10 115.11 124.16 3iup h GLN 255 Ca 0.09 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3iup h GLN 255 Cb 0.77 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 3iup h GLN 255 CO 0.06 0.21 0.13 0.82 -0.67 0.00 0.00 178.83 179.38 3iup h ILE 256 N 0.33 1.04 -0.47 2.54 2.04 -0.91 -1.01 117.51 121.07 3iup h ILE 256 Ca 0.24 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 66.04 3iup h ILE 256 Cb 0.27 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 3iup h ILE 256 CO -0.26 0.05 0.26 -0.07 0.00 0.00 0.00 178.15 178.13 3iup h LEU 257 N 0.26 0.40 -0.34 1.44 3.38 -1.03 -2.63 115.31 116.79 3iup h LEU 257 Ca 0.07 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.09 3iup h LEU 257 Cb -0.03 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3iup h LEU 257 CO -0.02 0.28 0.15 0.74 0.09 0.00 0.00 178.44 179.68 3iup h THR 258 N 0.52 0.95 0.00 0.22 2.02 -0.51 -1.31 112.91 114.80 3iup h THR 258 Ca 0.20 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.27 3iup h THR 258 Cb 0.06 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 3iup h THR 258 CO -0.11 0.06 0.00 0.00 0.37 0.00 0.00 175.52 175.83 3iup n GLU 261 N 1.25 0.00 -0.21 0.00 4.07 -0.50 -0.92 120.64 124.33 3iup n GLU 261 Ca 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.05 3iup n GLU 261 Cb 0.24 0.00 0.05 0.00 -0.06 0.00 0.00 31.44 31.67 3iup n GLU 261 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3iup h ALA 262 N 0.00 0.78 -0.36 4.31 0.00 -1.46 0.19 119.26 122.73 3iup h ALA 262 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3iup h ALA 262 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3iup h ALA 262 CO 0.00 0.14 0.06 0.00 0.00 0.00 0.00 179.25 179.45 3iup h ALA 263 N 1.25 0.47 -0.89 0.00 0.00 -1.30 -2.98 119.26 115.81 3iup h ALA 263 Ca 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3iup h ALA 263 Cb -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3iup h ALA 263 CO -0.08 0.18 0.51 -0.07 0.00 0.00 0.00 179.25 179.79 3iup h LEU 264 N 0.43 1.09 -0.03 0.00 3.38 -1.74 -2.80 115.31 115.63 3iup h LEU 264 Ca 0.11 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3iup h LEU 264 Cb 0.36 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3iup h LEU 264 CO 0.01 0.86 0.00 0.59 0.09 0.00 0.00 178.44 179.98 3iup n ASN 265 N -4.35 0.07 0.26 -0.43 3.02 0.03 -1.72 115.26 112.15 3iup n ASN 265 Ca 0.10 0.51 0.13 0.00 -0.03 0.00 0.00 54.58 55.29 3iup n ASN 265 Cb 0.08 -0.53 0.72 0.00 -0.61 0.00 0.00 39.78 39.44 3iup n ASN 265 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3iup h LYS 266 N 0.00 0.00 -0.40 3.52 1.57 -1.36 -2.06 116.57 117.84 3iup h LYS 266 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3iup h LYS 266 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3iup h LYS 266 CO 0.00 0.12 0.00 0.43 -0.57 0.00 0.00 179.45 179.43 3iup n SER 267 N -3.54 3.35 -4.67 0.86 7.64 -0.70 -4.99 113.62 111.56 3iup n SER 267 Ca -0.01 -1.95 -0.48 0.00 1.01 0.00 0.00 58.87 57.43 3iup n SER 267 Cb 0.26 -0.26 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 3iup n SER 267 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iup n ALA 268 N 1.33 0.92 0.11 -0.43 0.00 -0.78 -4.90 120.51 116.76 3iup n ALA 268 Ca 0.18 0.26 -0.22 0.00 0.00 0.00 0.00 53.44 53.66 3iup n ALA 268 Cb 0.56 -2.52 -0.15 0.00 0.00 0.00 0.00 19.45 17.35 3iup n ALA 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iup h ARG 269 N 9.51 0.41 0.00 0.00 2.47 -1.94 -3.48 114.38 121.35 3iup h ARG 269 Ca -0.48 -0.70 -0.42 0.00 -1.26 0.00 0.00 59.98 57.11 3iup h ARG 269 Cb 1.27 0.26 -0.08 0.00 -1.65 0.00 0.00 29.97 29.77 3iup h ARG 269 CO 0.95 1.32 -0.32 -0.85 0.56 0.00 0.00 179.97 181.63 3iup n GLU 270 N -3.61 1.02 -3.31 0.04 -0.00 -1.26 -5.12 120.64 108.40 3iup n GLU 270 Ca -0.18 -2.45 -0.40 0.00 -0.00 0.00 0.00 57.16 54.14 3iup n GLU 270 Cb 1.08 0.86 -0.08 0.00 -0.00 0.00 0.00 31.44 33.30 3iup n GLU 270 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 3iup s TYR 271 N -2.35 3.23 -0.29 -1.84 5.04 -1.26 -5.06 117.35 114.82 3iup s TYR 271 Ca 0.05 0.35 -0.11 0.00 -2.44 0.00 0.00 57.07 54.92 3iup s TYR 271 Cb 0.00 -2.72 -0.04 0.00 0.35 0.00 0.00 41.96 39.56 3iup s TYR 271 CO 0.03 -0.35 0.18 0.45 -1.34 0.00 0.00 175.55 174.52 3iup s SER 272 N 1.66 5.86 0.38 4.32 0.15 -1.26 -4.95 113.70 119.85 3iup s SER 272 Ca 0.17 -0.17 0.21 0.00 0.70 0.00 0.00 55.95 56.86 3iup s SER 272 Cb -0.16 -2.08 1.30 0.00 -1.71 0.00 0.00 66.02 63.36 3iup s SER 272 CO 0.11 -0.10 1.61 -0.09 1.20 0.00 0.00 173.24 175.97 3iup h ARG 273 N 8.37 0.10 -0.22 5.44 9.65 -2.03 -2.42 114.38 133.28 3iup h ARG 273 Ca -0.34 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.50 3iup h ARG 273 Cb 1.18 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.71 3iup h ARG 273 CO 0.58 0.07 -0.02 0.66 2.80 0.00 0.00 179.97 184.06 3iup n TYR 274 N -5.08 0.77 -4.24 2.20 4.01 -1.26 -5.07 117.16 108.49 3iup n TYR 274 Ca 0.36 -1.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.06 3iup n TYR 274 Cb 1.24 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 39.96 3iup n TYR 274 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iup n GLY 275 N -0.81 -1.22 3.75 2.72 0.00 -0.91 -4.42 105.19 104.30 3iup n GLY 275 Ca 0.22 -1.24 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 3iup n GLY 275 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iup s SER 276 N -4.00 5.25 0.00 1.61 0.15 -1.26 -4.68 113.70 110.77 3iup s SER 276 Ca 0.00 2.46 0.28 0.00 0.70 0.00 0.00 55.95 59.39 3iup s SER 276 Cb 0.00 -2.61 1.03 0.00 -1.71 0.00 0.00 66.02 62.74 3iup s SER 276 CO 0.00 -1.56 1.74 0.35 1.20 0.00 0.00 173.24 174.97 3iup n THR 277 N -1.42 0.00 -2.39 6.45 -2.24 -1.26 -4.41 114.28 109.01 3iup n THR 277 Ca 0.13 -0.07 -0.43 0.00 -2.27 0.00 0.00 64.05 61.41 3iup n THR 277 Cb 0.49 0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.75 3iup n THR 277 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3iup s THR 278 N -2.54 4.19 0.07 4.28 2.01 -1.26 -4.91 115.64 117.47 3iup s THR 278 Ca 0.26 1.46 -0.31 0.00 0.31 0.00 0.00 61.69 63.41 3iup s THR 278 Cb 0.20 -3.94 -0.07 0.00 0.01 0.00 0.00 72.50 68.69 3iup s THR 278 CO 0.51 -0.09 1.37 -2.28 -0.69 0.00 0.00 174.62 173.44 3iup s HIS 279 N 3.21 3.11 -0.14 4.92 2.46 -1.26 -4.81 115.29 122.78 3iup s HIS 279 Ca 0.57 0.94 -0.02 0.00 0.47 0.00 0.00 55.06 57.02 3iup s HIS 279 Cb -0.24 -3.65 -0.02 0.00 -0.13 0.00 0.00 32.58 28.54 3iup s HIS 279 CO 0.18 -2.29 -0.08 0.15 -2.47 0.00 0.00 174.74 170.23 3iup s LYS 280 N 1.58 3.50 -0.06 2.88 1.02 -0.49 -4.87 119.74 123.30 3iup s LYS 280 Ca 0.64 -0.59 0.03 0.00 0.02 0.00 0.00 55.97 56.07 3iup s LYS 280 Cb -0.34 -2.78 0.01 0.00 -0.52 0.00 0.00 37.83 34.20 3iup s LYS 280 CO 0.29 0.26 -0.15 -1.14 -0.92 0.00 0.00 175.35 173.68 3iup s GLN 281 N 0.29 1.86 -0.18 1.68 2.00 -0.24 -0.73 119.66 124.34 3iup s GLN 281 Ca -0.06 -0.52 0.01 0.00 -2.00 0.00 0.00 55.36 52.79 3iup s GLN 281 Cb -0.15 -1.53 0.02 0.00 0.80 0.00 0.00 33.01 32.15 3iup s GLN 281 CO 0.04 0.11 -0.20 0.08 -0.50 0.00 0.00 175.29 174.82 3iup s VAL 282 N 0.43 2.03 -0.21 1.34 1.01 -0.01 -0.57 120.40 124.41 3iup s VAL 282 Ca -0.12 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 60.81 3iup s VAL 282 Cb -0.15 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3iup s VAL 282 CO 0.04 0.53 0.28 -0.31 0.00 0.00 0.00 175.10 175.65 3iup s TYR 283 N 1.29 3.36 -0.69 5.22 2.02 0.57 -1.58 117.35 127.53 3iup s TYR 283 Ca 0.05 0.44 -0.21 0.00 -0.37 0.00 0.00 57.07 56.98 3iup s TYR 283 Cb -0.13 -2.39 0.09 0.00 -0.40 0.00 0.00 41.96 39.13 3iup s TYR 283 CO -0.12 0.05 0.92 -0.51 -1.57 0.00 0.00 175.55 174.31 3iup s LEU 284 N 1.11 4.84 0.00 -1.29 1.43 0.76 -0.30 118.68 125.23 3iup s LEU 284 Ca 0.14 -1.35 0.22 0.00 -1.03 0.00 0.00 54.13 52.11 3iup s LEU 284 Cb -0.14 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.70 3iup s LEU 284 CO 0.06 -1.26 1.06 0.00 0.23 0.00 0.00 176.35 176.43 3iup n TYR 285 N 7.03 0.00 -4.23 0.29 4.11 -0.62 -3.32 117.16 120.42 3iup n TYR 285 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.76 3iup n TYR 285 Cb 0.45 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.70 3iup n TYR 285 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 3iup s GLY 286 N -2.39 1.71 -0.31 -7.48 0.00 -1.16 -4.90 107.32 92.79 3iup s GLY 286 Ca 0.18 -1.80 0.18 0.00 0.00 0.00 0.00 44.72 43.27 3iup s GLY 286 CO 0.55 -1.43 1.04 0.61 0.00 0.00 0.00 173.10 173.87 3iup n GLY 287 N -0.38 2.47 0.36 0.20 0.00 -0.98 -3.51 105.19 103.35 3iup n GLY 287 Ca 0.03 -1.47 0.06 0.00 0.00 0.00 0.00 46.02 44.64 3iup n GLY 287 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3iup h LEU 288 N 2.75 0.70 -8.51 0.99 3.38 -0.86 -3.34 115.31 110.42 3iup h LEU 288 Ca -0.03 0.01 -0.69 0.00 0.09 0.00 0.00 57.88 57.25 3iup h LEU 288 Cb 1.22 -0.14 -0.18 0.00 0.09 0.00 0.00 40.66 41.64 3iup h LEU 288 CO 0.44 0.45 -0.15 -0.62 0.09 0.00 0.00 178.44 178.66 3iup s ASP 289 N -6.15 6.21 0.00 -0.43 -1.08 0.04 -4.96 116.67 110.30 3iup s ASP 289 Ca -0.10 -0.71 0.26 0.00 -0.52 0.00 0.00 52.55 51.47 3iup s ASP 289 Cb 0.20 -2.24 1.16 0.00 -1.46 0.00 0.00 42.92 40.58 3iup s ASP 289 CO 0.78 -0.65 1.79 0.35 0.52 0.00 0.00 175.17 177.96 3iup n THR 290 N 5.49 0.06 -1.43 1.71 -2.24 -1.26 -1.76 114.28 114.85 3iup n THR 290 Ca -0.07 -0.19 -0.30 0.00 -2.27 0.00 0.00 64.05 61.23 3iup n THR 290 Cb 0.47 0.14 0.11 0.00 -2.10 0.00 0.00 70.33 68.94 3iup n THR 290 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3iup s SER 291 N -1.83 4.09 0.46 3.42 1.04 -1.26 -4.95 113.70 114.68 3iup s SER 291 Ca 0.37 1.36 -0.23 0.00 0.48 0.00 0.00 55.95 57.93 3iup s SER 291 Cb 0.19 -2.07 -0.09 0.00 0.10 0.00 0.00 66.02 64.16 3iup s SER 291 CO 0.31 -2.23 1.11 -2.65 0.98 0.00 0.00 173.24 170.76 3iup n PRO 292 N -3.60 1.48 -2.53 4.02 -0.02 -1.26 -3.80 135.00 129.29 3iup n PRO 292 Ca 0.07 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.67 3iup n PRO 292 Cb 0.56 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.79 3iup n PRO 292 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3iup s THR 293 N -1.30 4.11 -0.03 3.45 2.01 -1.26 -1.38 115.64 121.23 3iup s THR 293 Ca 0.65 1.67 -0.01 0.00 0.31 0.00 0.00 61.69 64.31 3iup s THR 293 Cb -0.50 -4.07 0.03 0.00 0.01 0.00 0.00 72.50 67.97 3iup s THR 293 CO 0.55 0.22 0.07 -1.61 -0.69 0.00 0.00 174.62 173.15 3iup s GLU 294 N 0.28 0.02 -0.07 4.92 2.02 -0.69 -4.88 118.70 120.30 3iup s GLU 294 Ca 0.52 0.22 -0.25 0.00 0.02 0.00 0.00 54.97 55.48 3iup s GLU 294 Cb -0.28 -0.17 0.05 0.00 0.10 0.00 0.00 34.13 33.84 3iup s GLU 294 CO 0.32 -0.13 0.56 -0.59 0.02 0.00 0.00 175.26 175.43 3iup s PHE 295 N 0.88 -0.52 0.24 1.61 -0.12 -1.26 -4.28 117.98 114.53 3iup s PHE 295 Ca -0.07 0.95 -0.20 0.00 -0.05 0.00 0.00 56.93 57.56 3iup s PHE 295 Cb -0.10 0.29 -0.09 0.00 -0.63 0.00 0.00 43.02 42.49 3iup s PHE 295 CO -0.03 -0.50 0.75 -0.80 -0.05 0.00 0.00 175.22 174.59 3iup s ASN 296 N -0.99 7.07 -1.10 1.98 0.01 -1.26 -5.02 114.94 115.64 3iup s ASN 296 Ca -0.10 1.46 -0.03 0.00 -0.71 0.00 0.00 52.86 53.48 3iup s ASN 296 Cb -0.02 -2.44 0.28 0.00 0.41 0.00 0.00 41.25 39.48 3iup s ASN 296 CO 0.07 -0.00 1.79 0.54 -1.51 0.00 0.00 177.10 177.99 3iup n ARG 297 N 0.61 4.92 -1.73 -0.60 1.74 -1.26 -4.76 116.66 115.58 3iup n ARG 297 Ca -0.01 -4.41 -0.35 0.00 -0.77 0.00 0.00 57.85 52.31 3iup n ARG 297 Cb 0.51 -2.53 0.05 0.00 -1.02 0.00 0.00 32.46 29.47 3iup n ARG 297 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3iup n ASN 298 N 0.86 7.01 -0.74 0.55 3.02 -1.26 -4.34 115.26 120.36 3iup n ASN 298 Ca 0.42 -3.80 0.03 0.00 -0.03 0.00 0.00 54.58 51.20 3iup n ASN 298 Cb 0.29 -0.88 0.03 0.00 -0.61 0.00 0.00 39.78 38.61 3iup n ASN 298 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 3iup n PHE 299 N -0.72 0.00 0.00 3.10 1.16 -1.26 -4.85 117.46 114.89 3iup n PHE 299 Ca 0.55 -0.33 0.00 0.00 -1.87 0.00 0.00 57.45 55.80 3iup n PHE 299 Cb 0.55 -0.10 0.00 0.00 -1.61 0.00 0.00 39.48 38.32 3iup n PHE 299 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3iup n GLY 300 N -0.07 2.22 2.56 4.97 0.00 -1.26 -4.80 105.19 108.82 3iup n GLY 300 Ca 0.04 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 3iup n GLY 300 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iup n ALA 302 N 8.82 -1.57 -3.06 4.61 0.00 -1.26 -5.01 120.51 123.04 3iup n ALA 302 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 3iup n ALA 302 Cb 0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 19.45 18.95 3iup n ALA 302 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 3iup s TRP 303 N -1.67 -0.18 0.00 0.00 1.48 -1.26 -1.40 118.94 115.91 3iup s TRP 303 Ca 0.05 0.06 0.00 0.00 -1.06 0.00 0.00 56.10 55.15 3iup s TRP 303 Cb -0.01 0.16 0.00 0.00 -1.16 0.00 0.00 33.47 32.46 3iup s TRP 303 CO 0.31 -0.55 0.00 0.41 -4.06 0.00 0.00 176.95 173.06 3iup n GLY 304 N 0.45 3.44 0.00 3.67 0.00 0.09 -4.93 105.19 107.92 3iup n GLY 304 Ca -0.18 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3iup n GLY 304 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iup n GLY 306 N 0.00 0.24 3.83 -0.02 0.00 -0.61 -0.83 105.19 107.79 3iup n GLY 306 Ca 0.00 -1.53 -0.31 0.00 0.00 0.00 0.00 46.02 44.18 3iup n GLY 306 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iup s GLY 307 N 0.00 1.71 -0.10 -0.02 0.00 -1.26 -0.17 107.32 107.47 3iup s GLY 307 Ca 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 44.72 44.73 3iup s GLY 307 CO 0.00 0.35 0.23 0.86 0.00 0.00 0.00 173.10 174.54 3iup s TRP 308 N -3.03 -0.31 0.03 1.90 -0.00 -1.21 -4.78 118.94 111.54 3iup s TRP 308 Ca 0.58 0.77 0.05 0.00 -0.00 0.00 0.00 56.10 57.50 3iup s TRP 308 Cb -0.13 -0.02 -0.02 0.00 -0.00 0.00 0.00 33.47 33.30 3iup s TRP 308 CO 0.53 -0.25 -0.16 -0.51 -0.00 0.00 0.00 176.95 176.55 3iup s LEU 309 N 1.59 2.13 0.13 5.86 1.43 -1.26 -4.55 118.68 124.02 3iup s LEU 309 Ca -0.06 -0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 52.44 3iup s LEU 309 Cb -0.11 -0.75 -0.03 0.00 0.03 0.00 0.00 46.19 45.33 3iup s LEU 309 CO -0.08 0.11 1.75 0.25 0.23 0.00 0.00 176.35 178.61 3iup h LEU 310 N 5.12 0.39 -0.09 1.79 5.85 -1.97 -2.56 115.31 123.84 3iup h LEU 310 Ca -0.39 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 3iup h LEU 310 Cb 1.17 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 3iup h LEU 310 CO 0.45 0.34 -0.05 -0.26 -0.34 0.00 0.00 178.44 178.59 3iup h PHE 311 N 0.41 0.22 -0.88 1.25 -1.00 -2.00 -0.34 116.94 114.60 3iup h PHE 311 Ca 0.11 -0.06 0.15 0.00 2.81 0.00 0.00 57.97 60.99 3iup h PHE 311 Cb 0.03 -0.05 -0.07 0.00 3.61 0.00 0.00 35.95 39.47 3iup h PHE 311 CO -0.04 0.56 0.57 -1.35 -1.61 0.00 0.00 178.31 176.44 3iup h PRO 312 N -0.18 0.63 -0.16 1.51 0.11 -2.00 -2.07 132.00 129.85 3iup h PRO 312 Ca 0.02 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 3iup h PRO 312 Cb 0.50 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 3iup h PRO 312 CO 0.01 0.42 0.04 0.35 -0.21 0.00 0.00 178.00 178.61 3iup h PHE 313 N 0.65 0.27 -0.66 0.65 3.57 -0.94 -1.20 116.94 119.28 3iup h PHE 313 Ca 0.45 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.92 3iup h PHE 313 Cb 0.77 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 3iup h PHE 313 CO -0.00 0.39 0.41 -0.07 -2.23 0.00 0.00 178.31 176.81 3iup h LEU 314 N 0.07 0.77 -0.68 0.59 3.38 -0.78 -1.43 115.31 117.23 3iup h LEU 314 Ca 0.05 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3iup h LEU 314 Cb 0.25 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3iup h LEU 314 CO 0.00 0.58 -0.15 1.56 0.09 0.00 0.00 178.44 180.51 3iup h GLN 315 N 0.90 0.86 -0.46 1.13 4.20 -1.28 -2.34 115.11 118.11 3iup h GLN 315 Ca 0.24 -0.32 -0.10 0.00 0.06 0.00 0.00 58.65 58.52 3iup h GLN 315 Cb -0.06 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 3iup h GLN 315 CO -0.05 0.96 -0.11 -0.22 -0.67 0.00 0.00 178.83 178.74 3iup h LYS 316 N 0.77 0.90 0.00 1.46 3.64 -0.24 -3.17 116.57 119.91 3iup h LYS 316 Ca 0.12 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3iup h LYS 316 Cb 0.68 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3iup h LYS 316 CO 0.05 0.99 0.00 -0.84 -2.27 0.00 0.00 179.45 177.38 3iup h ILE 317 N 0.74 0.00 0.00 2.00 3.07 -1.21 -3.50 117.51 118.61 3iup h ILE 317 Ca 0.12 -0.86 0.00 0.00 1.55 0.00 0.00 64.86 65.67 3iup h ILE 317 Cb 0.66 1.86 0.00 0.00 -0.27 0.00 0.00 36.82 39.07 3iup h ILE 317 CO 0.05 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.76 3iup n GLY 318 N 1.00 -0.70 0.21 0.16 0.00 -0.89 -4.38 105.19 100.59 3iup n GLY 318 Ca 0.04 -1.66 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 3iup n GLY 318 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3iup h ARG 319 N 0.00 0.59 -0.07 1.61 2.47 -1.90 0.42 114.38 117.50 3iup h ARG 319 Ca 0.00 -0.38 -0.00 0.00 -1.26 0.00 0.00 59.98 58.33 3iup h ARG 319 Cb 0.00 0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.36 3iup h ARG 319 CO 0.00 1.00 0.03 1.49 0.56 0.00 0.00 179.97 183.04 3iup h GLU 320 N 0.45 0.10 -0.27 0.04 4.57 -1.96 0.25 114.58 117.76 3iup h GLU 320 Ca 0.00 -0.02 -0.18 0.00 -1.18 0.00 0.00 59.36 57.99 3iup h GLU 320 Cb 1.12 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 3iup h GLU 320 CO 0.11 0.23 -0.52 -0.09 -1.18 0.00 0.00 179.01 177.55 3iup h ARG 321 N -0.04 0.83 -0.72 1.92 9.65 -1.72 -1.57 114.38 122.73 3iup h ARG 321 Ca 0.02 -0.53 0.11 0.00 -1.10 0.00 0.00 59.98 58.48 3iup h ARG 321 Cb 0.16 0.07 -0.08 0.00 -1.39 0.00 0.00 29.97 28.73 3iup h ARG 321 CO -0.00 1.16 0.33 0.00 2.80 0.00 0.00 179.97 184.26 3iup h ALA 322 N 0.66 1.00 -0.53 2.80 0.00 -0.88 -1.06 119.26 121.25 3iup h ALA 322 Ca 0.01 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3iup h ALA 322 Cb 1.13 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3iup h ALA 322 CO 0.12 -0.11 0.06 -0.97 0.00 0.00 0.00 179.25 178.35 3iup h ASN 323 N 0.54 0.80 -0.66 0.00 -1.24 -0.21 -0.86 115.58 113.95 3iup h ASN 323 Ca 0.37 -0.17 -0.05 0.00 0.71 0.00 0.00 56.30 57.16 3iup h ASN 323 Cb 0.46 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.27 3iup h ASN 323 CO -0.32 0.83 0.23 0.00 -1.29 0.00 0.00 177.43 176.88 3iup h ALA 324 N 1.27 1.11 -0.28 1.57 0.00 -0.41 0.64 119.26 123.16 3iup h ALA 324 Ca 0.16 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3iup h ALA 324 Cb 0.39 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3iup h ALA 324 CO 0.01 0.61 0.04 -0.07 0.00 0.00 0.00 179.25 179.84 3iup h LEU 325 N 1.01 0.46 -1.12 0.00 3.38 -0.78 -2.44 115.31 115.82 3iup h LEU 325 Ca 0.23 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3iup h LEU 325 Cb 0.26 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3iup h LEU 325 CO -0.01 0.62 0.60 0.11 0.09 0.00 0.00 178.44 179.84 3iup h LYS 326 N 0.29 1.17 -0.80 1.13 1.57 -0.82 -1.48 116.57 117.62 3iup h LYS 326 Ca 0.08 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3iup h LYS 326 Cb 0.36 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 3iup h LYS 326 CO 0.01 0.77 0.40 1.96 -0.57 0.00 0.00 179.45 182.02 3iup h GLN 327 N 1.21 1.13 -0.59 3.15 4.20 -0.79 -1.56 115.11 121.86 3iup h GLN 327 Ca 0.33 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.81 3iup h GLN 327 Cb -0.12 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.43 3iup h GLN 327 CO -0.08 0.86 0.04 -0.09 -0.67 0.00 0.00 178.83 178.89 3iup h ARG 328 N 1.13 1.00 -0.36 1.46 2.43 -0.89 -1.61 114.38 117.54 3iup h ARG 328 Ca 0.28 -0.28 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3iup h ARG 328 Cb 0.08 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3iup h ARG 328 CO -0.04 0.96 0.20 0.28 -1.51 0.00 0.00 179.97 179.86 3iup h VAL 329 N 0.93 1.03 -0.77 0.20 2.07 -0.81 -1.77 116.25 117.13 3iup h VAL 329 Ca 0.18 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.56 3iup h VAL 329 Cb 0.48 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 3iup h VAL 329 CO 0.02 0.08 0.51 0.58 0.02 0.00 0.00 177.57 178.78 3iup h VAL 330 N 0.41 1.20 0.00 2.57 2.07 -1.11 -0.69 116.25 120.70 3iup h VAL 330 Ca 0.14 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 3iup h VAL 330 Cb 0.01 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 3iup h VAL 330 CO -0.07 0.19 -0.21 0.00 0.02 0.00 0.00 177.57 177.49 3iup h ALA 331 N 1.28 1.45 -0.14 1.67 0.00 -0.84 -3.02 119.26 119.66 3iup h ALA 331 Ca 0.28 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 3iup h ALA 331 Cb -0.12 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 17.46 3iup h ALA 331 CO -0.06 0.27 -0.71 0.39 0.00 0.00 0.00 179.25 179.14 3iup n GLU 332 N -4.00 1.55 -0.35 0.00 1.02 -0.71 -4.85 120.64 113.30 3iup n GLU 332 Ca -0.02 -3.16 -0.03 0.00 -0.02 0.00 0.00 57.16 53.93 3iup n GLU 332 Cb 0.29 -1.36 0.10 0.00 -0.02 0.00 0.00 31.44 30.45 3iup n GLU 332 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3iup h LEU 333 N 1.27 1.11 -1.93 -4.62 5.85 -1.00 -1.17 115.31 114.82 3iup h LEU 333 Ca -0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3iup h LEU 333 Cb 1.30 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3iup h LEU 333 CO 0.15 0.83 0.00 0.29 -0.34 0.00 0.00 178.44 179.37 3iup n LYS 334 N -4.39 2.31 0.00 1.25 5.02 -1.26 -2.77 118.16 118.31 3iup n LYS 334 Ca 0.10 -1.92 0.00 0.00 -2.02 0.00 0.00 58.31 54.47 3iup n LYS 334 Cb 0.04 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 3iup n LYS 334 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3iup n THR 335 N 1.34 0.00 -0.33 -0.18 -2.24 -0.91 -4.51 114.28 107.46 3iup n THR 335 Ca 0.14 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.02 3iup n THR 335 Cb 0.60 -0.14 0.31 0.00 -2.10 0.00 0.00 70.33 69.00 3iup n THR 335 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3iup h THR 336 N 0.00 0.85 -0.44 4.28 2.02 -1.76 -2.56 112.91 115.29 3iup h THR 336 Ca 0.00 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3iup h THR 336 Cb 0.00 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.35 3iup h THR 336 CO 0.00 0.15 0.00 0.49 0.37 0.00 0.00 175.52 176.53 3iup n PHE 337 N -4.62 1.50 -1.76 3.16 3.72 -0.49 -4.80 117.46 114.17 3iup n PHE 337 Ca 0.19 -0.78 -0.41 0.00 -0.05 0.00 0.00 57.45 56.41 3iup n PHE 337 Cb 0.44 -0.39 0.01 0.00 -0.94 0.00 0.00 39.48 38.59 3iup n PHE 337 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3iup n ALA 338 N 0.17 2.16 -2.75 4.37 0.00 -0.97 -4.82 120.51 118.67 3iup n ALA 338 Ca 0.24 0.31 -0.31 0.00 0.00 0.00 0.00 53.44 53.68 3iup n ALA 338 Cb 1.02 -2.40 -0.16 0.00 0.00 0.00 0.00 19.45 17.91 3iup n ALA 338 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3iup s SER 339 N -0.26 3.07 -0.11 0.00 0.01 -1.26 -5.03 113.70 110.12 3iup s SER 339 Ca 0.56 -0.51 -0.12 0.00 1.31 0.00 0.00 55.95 57.19 3iup s SER 339 Cb -0.48 -0.86 -0.05 0.00 0.21 0.00 0.00 66.02 64.85 3iup s SER 339 CO 0.62 0.24 0.26 -2.28 0.41 0.00 0.00 173.24 172.49 3iup s HIS 340 N -0.15 3.57 0.03 2.43 5.65 -1.26 -5.08 115.29 120.49 3iup s HIS 340 Ca -0.04 0.66 0.09 0.00 0.25 0.00 0.00 55.06 56.01 3iup s HIS 340 Cb -0.14 -2.18 -0.03 0.00 -1.18 0.00 0.00 32.58 29.05 3iup s HIS 340 CO 0.04 0.51 -0.26 0.71 -0.65 0.00 0.00 174.74 175.09 3iup s TYR 341 N -0.44 2.34 -0.38 3.88 2.02 -1.26 -4.55 117.35 118.97 3iup s TYR 341 Ca 0.17 -0.41 0.23 0.00 -0.37 0.00 0.00 57.07 56.70 3iup s TYR 341 Cb -0.13 -1.42 0.21 0.00 -0.40 0.00 0.00 41.96 40.22 3iup s TYR 341 CO 0.06 0.11 1.34 0.66 -1.57 0.00 0.00 175.55 176.14 3iup h SER 342 N 4.90 0.00 -4.45 2.29 4.64 -0.85 -3.47 113.55 116.61 3iup h SER 342 Ca -0.46 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 60.79 3iup h SER 342 Cb 1.14 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.03 3iup h SER 342 CO 0.44 0.01 0.10 -0.75 -0.87 0.00 0.00 176.83 175.76 3iup s LYS 343 N -3.27 0.89 -0.20 4.77 2.20 -1.25 -5.06 119.74 117.82 3iup s LYS 343 Ca 0.04 0.60 -0.05 0.00 -0.36 0.00 0.00 55.97 56.20 3iup s LYS 343 Cb 0.08 0.43 -0.03 0.00 -1.51 0.00 0.00 37.83 36.80 3iup s LYS 343 CO 0.72 -0.19 0.01 -2.00 -0.36 0.00 0.00 175.35 173.53 3iup s GLU 344 N -0.36 3.67 0.19 4.03 2.12 -1.26 -0.99 118.70 126.10 3iup s GLU 344 Ca -0.05 -0.50 0.09 0.00 0.36 0.00 0.00 54.97 54.87 3iup s GLU 344 Cb -0.03 -3.09 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 3iup s GLU 344 CO 0.05 0.06 -0.18 0.96 -0.54 0.00 0.00 175.26 175.61 3iup s ILE 345 N 0.88 1.90 0.93 -3.70 -4.36 0.49 -4.94 121.20 112.40 3iup s ILE 345 Ca 0.01 -2.05 -0.12 0.00 -0.26 0.00 0.00 60.65 58.23 3iup s ILE 345 Cb -0.14 -1.96 0.15 0.00 1.25 0.00 0.00 42.46 41.76 3iup s ILE 345 CO 0.02 -0.38 1.12 -0.94 0.24 0.00 0.00 174.94 175.00 3iup s SER 346 N -2.92 3.26 0.17 4.36 1.04 -1.26 -0.71 113.70 117.63 3iup s SER 346 Ca 0.19 1.06 -0.15 0.00 0.48 0.00 0.00 55.95 57.53 3iup s SER 346 Cb -0.05 -1.67 0.07 0.00 0.10 0.00 0.00 66.02 64.47 3iup s SER 346 CO 0.08 -2.72 1.81 0.25 0.98 0.00 0.00 173.24 173.63 3iup h LEU 347 N -1.61 0.44 -1.38 2.42 5.85 -1.78 -2.05 115.31 117.20 3iup h LEU 347 Ca -0.52 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.21 3iup h LEU 347 Cb 1.33 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 3iup h LEU 347 CO 0.60 0.31 0.39 0.00 -0.34 0.00 0.00 178.44 179.41 3iup h ALA 348 N 1.21 1.54 0.00 1.25 0.00 -1.91 -2.39 119.26 118.96 3iup h ALA 348 Ca 0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3iup h ALA 348 Cb 0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3iup h ALA 348 CO -0.09 0.42 -0.00 0.93 0.00 0.00 0.00 179.25 180.51 3iup h GLU 349 N 0.83 0.00 -0.44 0.00 5.08 -1.73 -2.02 114.58 116.31 3iup h GLU 349 Ca 0.22 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.65 3iup h GLU 349 Cb -0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3iup h GLU 349 CO -0.05 0.00 0.30 0.28 -1.00 0.00 0.00 179.01 178.54 3iup h VAL 350 N 0.00 0.93 -0.68 3.13 2.07 -1.16 -2.24 116.25 118.31 3iup h VAL 350 Ca -0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3iup h VAL 350 Cb 0.49 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3iup h VAL 350 CO 0.00 0.05 0.00 0.18 0.02 0.00 0.00 177.57 177.82 3iup n LEU 351 N -4.47 4.14 -4.68 2.57 4.77 -0.76 -4.61 117.00 113.95 3iup n LEU 351 Ca 0.06 -2.08 -0.42 0.00 -0.03 0.00 0.00 56.01 53.54 3iup n LEU 351 Cb 0.29 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 3iup n LEU 351 CO 0.35 0.88 0.73 -0.62 -1.33 0.00 0.00 177.39 177.39 3iup s ASP 352 N -0.95 7.15 0.49 -1.43 -1.08 -0.84 -4.78 116.67 115.23 3iup s ASP 352 Ca 0.48 1.41 0.21 0.00 -0.52 0.00 0.00 52.55 54.13 3iup s ASP 352 Cb 0.28 -2.52 1.26 0.00 -1.46 0.00 0.00 42.92 40.48 3iup s ASP 352 CO 0.29 -0.43 2.06 -0.07 0.52 0.00 0.00 175.17 177.54 3iup h LEU 353 N 8.10 0.00 -1.03 -1.34 3.38 -1.89 -0.74 115.31 121.80 3iup h LEU 353 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3iup h LEU 353 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3iup h LEU 353 CO 0.85 0.13 0.00 0.47 0.09 0.00 0.00 178.44 179.98 3iup n ASP 354 N -4.06 0.31 0.00 -0.43 8.00 -1.26 -1.15 116.55 117.97 3iup n ASP 354 Ca -0.02 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 54.88 3iup n ASP 354 Cb 0.21 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 3iup n ASP 354 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3iup n ILE 356 N 0.36 0.00 -0.24 0.53 5.41 -0.28 -3.62 119.36 121.52 3iup n ILE 356 Ca 0.00 0.00 0.23 0.00 1.00 0.00 0.00 62.75 63.98 3iup n ILE 356 Cb 0.08 0.00 0.59 0.00 -0.71 0.00 0.00 39.64 39.59 3iup n ILE 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3iup h ALA 357 N 0.00 2.45 0.00 -1.39 0.00 -1.40 -0.63 119.26 118.29 3iup h ALA 357 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3iup h ALA 357 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3iup h ALA 357 CO 0.00 -0.75 -0.49 0.28 0.00 0.00 0.00 179.25 178.30 3iup h VAL 358 N 0.26 0.82 0.00 0.00 2.07 -1.85 -3.39 116.25 114.16 3iup h VAL 358 Ca 0.48 -1.77 -0.08 0.00 0.82 0.00 0.00 66.70 66.15 3iup h VAL 358 Cb 1.44 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 3iup h VAL 358 CO -0.14 0.28 -0.37 0.10 0.02 0.00 0.00 177.57 177.46 3iup h TYR 359 N -1.00 0.00 0.00 1.57 -0.00 -1.80 -2.04 116.97 113.70 3iup h TYR 359 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.62 3iup h TYR 359 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.53 3iup h TYR 359 CO 0.07 0.37 0.00 -1.71 -0.00 0.00 0.00 178.16 176.90 3iup n ASN 360 N -3.83 0.00 0.22 0.10 5.15 -0.26 -2.74 115.26 113.90 3iup n ASN 360 Ca -0.01 -0.45 0.14 0.00 -0.60 0.00 0.00 54.58 53.65 3iup n ASN 360 Cb 0.44 -0.10 0.36 0.00 -0.53 0.00 0.00 39.78 39.95 3iup n ASN 360 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 3iup h LYS 361 N 0.00 0.00 -6.68 1.20 1.57 -1.55 -3.47 116.57 107.63 3iup h LYS 361 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 3iup h LYS 361 Cb 0.07 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.23 3iup h LYS 361 CO 0.00 0.00 -0.86 0.54 -0.57 0.00 0.00 179.45 178.56 3iup n ARG 362 N -2.96 -3.06 -2.99 3.15 3.00 -1.11 -4.94 116.66 107.75 3iup n ARG 362 Ca 0.03 0.36 -0.36 0.00 -0.01 0.00 0.00 57.85 57.88 3iup n ARG 362 Cb 0.44 -4.79 -0.06 0.00 0.00 0.00 0.00 32.46 28.05 3iup n ARG 362 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3iup s ALA 363 N -3.61 3.32 0.06 7.54 0.00 -1.26 -5.00 121.76 122.81 3iup s ALA 363 Ca 0.42 0.28 -0.37 0.00 0.00 0.00 0.00 51.96 52.30 3iup s ALA 363 Cb -0.23 -2.95 -0.16 0.00 0.00 0.00 0.00 23.12 19.78 3iup s ALA 363 CO 0.92 0.27 1.42 2.41 0.00 0.00 0.00 175.76 180.78 3iup n THR 364 N 0.50 0.04 -1.45 0.00 -1.04 -1.26 -1.96 114.28 109.10 3iup n THR 364 Ca 0.00 -0.01 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 3iup n THR 364 Cb 0.51 -0.98 -0.06 0.00 -1.82 0.00 0.00 70.33 67.98 3iup n THR 364 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3iup n GLY 365 N 2.83 1.46 2.46 3.41 0.00 -1.26 -4.89 105.19 109.20 3iup n GLY 365 Ca 0.19 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 3iup n GLY 365 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iup n GLU 366 N -2.57 2.62 -2.90 1.61 1.02 -0.83 -4.27 120.64 115.32 3iup n GLU 366 Ca -0.15 -3.90 -0.40 0.00 -0.02 0.00 0.00 57.16 52.69 3iup n GLU 366 Cb 0.49 -1.90 -0.05 0.00 -0.02 0.00 0.00 31.44 29.96 3iup n GLU 366 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3iup s LYS 367 N -3.55 4.54 -0.04 3.49 2.20 -1.26 -4.66 119.74 120.45 3iup s LYS 367 Ca 0.40 1.16 -0.05 0.00 -0.36 0.00 0.00 55.97 57.12 3iup s LYS 367 Cb 0.39 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 3iup s LYS 367 CO -0.03 0.19 0.19 0.71 -0.36 0.00 0.00 175.35 176.05 3iup s TYR 368 N 0.22 3.57 -0.13 4.03 1.51 -1.26 -0.32 117.35 124.97 3iup s TYR 368 Ca 0.42 0.46 -0.01 0.00 -1.01 0.00 0.00 57.07 56.93 3iup s TYR 368 Cb -0.21 -1.90 -0.02 0.00 -0.11 0.00 0.00 41.96 39.72 3iup s TYR 368 CO 0.24 0.67 -0.09 -1.17 -1.11 0.00 0.00 175.55 174.10 3iup s LEU 369 N -1.62 2.99 -0.13 -1.29 2.96 -0.16 -1.78 118.68 119.64 3iup s LEU 369 Ca 0.24 -0.21 -0.11 0.00 -0.22 0.00 0.00 54.13 53.83 3iup s LEU 369 Cb -0.13 -1.69 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 3iup s LEU 369 CO 0.14 0.19 0.24 -0.63 -1.32 0.00 0.00 176.35 174.97 3iup s ILE 370 N 0.21 5.34 -0.41 6.68 1.01 0.64 -0.38 121.20 134.29 3iup s ILE 370 Ca -0.05 0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.98 3iup s ILE 370 Cb -0.15 -3.55 0.10 0.00 0.01 0.00 0.00 42.46 38.88 3iup s ILE 370 CO 0.04 0.50 0.22 0.21 0.00 0.00 0.00 174.94 175.91 3iup s ASN 371 N -0.30 5.35 0.58 3.58 3.84 0.11 -0.04 114.94 128.07 3iup s ASN 371 Ca 0.16 -1.87 0.28 0.00 0.21 0.00 0.00 52.86 51.64 3iup s ASN 371 Cb -0.13 -1.87 1.73 0.00 -0.55 0.00 0.00 41.25 40.43 3iup s ASN 371 CO 0.05 -0.54 2.21 -0.65 -2.79 0.00 0.00 177.10 175.37 3iup h PRO 372 N 8.16 0.00 -0.10 0.43 0.11 -1.80 -0.82 132.00 137.98 3iup h PRO 372 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3iup h PRO 372 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3iup h PRO 372 CO 0.72 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.60 3iup n ASN 373 N -3.90 2.40 -4.69 -2.05 3.02 -1.25 -4.44 115.26 104.35 3iup n ASN 373 Ca -0.02 -1.80 -0.44 0.00 -0.03 0.00 0.00 54.58 52.30 3iup n ASN 373 Cb 0.15 -0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.23 3iup n ASN 373 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3iup n LYS 374 N 0.85 2.51 -0.74 3.52 4.81 -0.31 -1.69 118.16 127.10 3iup n LYS 374 Ca 0.17 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.51 3iup n LYS 374 Cb 0.48 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.81 3iup n LYS 374 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3iup n GLY 375 N 3.79 1.41 3.56 3.14 0.00 -1.26 -4.69 105.19 111.14 3iup n GLY 375 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 3iup n GLY 375 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iup s LEU 376 N 0.00 2.95 0.00 0.99 1.43 -0.68 -5.20 118.68 118.16 3iup s LEU 376 Ca 0.00 -0.59 0.31 0.00 -1.03 0.00 0.00 54.13 52.81 3iup s LEU 376 Cb 0.00 -1.64 1.59 0.00 0.03 0.00 0.00 46.19 46.17 3iup s LEU 376 CO 0.00 0.10 2.05 0.00 0.23 0.00 0.00 176.35 178.73