#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qup s THR 6 N 0.00 4.98 0.14 -3.53 2.01 -1.26 -4.34 115.64 113.64 1qup s THR 6 Ca 0.00 0.92 -0.14 0.00 0.31 0.00 0.00 61.69 62.78 1qup s THR 6 Cb 0.00 -3.76 0.02 0.00 0.01 0.00 0.00 72.50 68.77 1qup s THR 6 CO 0.00 0.56 0.37 -0.72 -0.69 0.00 0.00 174.62 174.14 1qup s TYR 7 N -0.95 0.01 -0.08 4.92 -0.85 0.03 -4.97 117.35 115.46 1qup s TYR 7 Ca 0.25 -0.36 0.04 0.00 -0.52 0.00 0.00 57.07 56.48 1qup s TYR 7 Cb -0.17 0.17 -0.01 0.00 0.38 0.00 0.00 41.96 42.33 1qup s TYR 7 CO 0.14 -0.73 -0.23 -1.83 -1.52 0.00 0.00 175.55 171.38 1qup s GLU 8 N -3.87 2.84 0.03 -3.49 -1.05 -1.24 -1.50 118.70 110.42 1qup s GLU 8 Ca 0.08 -0.86 0.04 0.00 -0.15 0.00 0.00 54.97 54.08 1qup s GLU 8 Cb 0.02 -2.28 -0.02 0.00 -0.44 0.00 0.00 34.13 31.41 1qup s GLU 8 CO -0.07 0.30 -0.13 0.00 0.95 0.00 0.00 175.26 176.31 1qup s ALA 9 N 0.06 1.04 -0.11 -0.84 0.00 -0.38 -4.70 121.76 116.82 1qup s ALA 9 Ca -0.09 -0.72 -0.02 0.00 0.00 0.00 0.00 51.96 51.13 1qup s ALA 9 Cb -0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1qup s ALA 9 CO 0.06 0.20 -0.03 0.99 0.00 0.00 0.00 175.76 176.97 1qup s THR 10 N -0.73 3.98 -0.02 0.00 2.01 -1.26 -0.18 115.64 119.44 1qup s THR 10 Ca 0.01 -0.35 0.04 0.00 0.31 0.00 0.00 61.69 61.70 1qup s THR 10 Cb -0.07 -2.69 -0.01 0.00 0.01 0.00 0.00 72.50 69.74 1qup s THR 10 CO 0.01 0.55 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.03 1qup s TYR 11 N -0.31 1.36 -0.16 4.92 1.51 -1.26 -1.09 117.35 122.33 1qup s TYR 11 Ca 0.05 -0.30 -0.19 0.00 -1.01 0.00 0.00 57.07 55.62 1qup s TYR 11 Cb -0.12 -0.90 -0.03 0.00 -0.11 0.00 0.00 41.96 40.80 1qup s TYR 11 CO 0.02 -0.06 0.54 0.00 -1.11 0.00 0.00 175.55 174.94 1qup s ALA 12 N -0.20 3.50 -0.06 3.71 0.00 0.87 -4.36 121.76 125.22 1qup s ALA 12 Ca 0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 51.96 51.69 1qup s ALA 12 Cb -0.07 -2.80 0.02 0.00 0.00 0.00 0.00 23.12 20.27 1qup s ALA 12 CO 0.00 -0.28 0.15 0.42 0.00 0.00 0.00 175.76 176.05 1qup s ILE 13 N 1.27 -0.02 0.84 0.00 1.01 -0.96 -1.87 121.20 121.47 1qup s ILE 13 Ca 0.27 0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.89 1qup s ILE 13 Cb -0.16 -0.23 0.10 0.00 0.01 0.00 0.00 42.46 42.19 1qup s ILE 13 CO 0.11 0.03 1.13 -2.16 0.00 0.00 0.00 174.94 174.05 1qup s PRO 14 N 0.55 1.59 0.00 2.79 0.04 -1.26 -4.53 135.00 134.17 1qup s PRO 14 Ca -0.04 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1qup s PRO 14 Cb -0.05 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1qup s PRO 14 CO -0.03 -2.19 0.00 0.72 0.04 0.00 0.00 177.00 175.55 1qup n HIS 16 N -3.84 0.00 -2.90 0.56 8.25 -1.26 -4.94 115.22 111.09 1qup n HIS 16 Ca 0.11 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.27 1qup n HIS 16 Cb 0.52 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 1qup n HIS 16 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qup n GLU 18 N -1.20 -0.14 -0.37 0.00 2.13 -1.26 -1.08 120.64 118.71 1qup n GLU 18 Ca 0.02 1.39 0.08 0.00 0.66 0.00 0.00 57.16 59.31 1qup n GLU 18 Cb 0.54 -2.07 0.25 0.00 0.27 0.00 0.00 31.44 30.43 1qup n GLU 18 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1qup n ASN 19 N -5.39 3.74 0.04 4.31 3.02 -1.26 -4.74 115.26 114.98 1qup n ASN 19 Ca 0.12 -2.34 -0.11 0.00 -0.03 0.00 0.00 54.58 52.22 1qup n ASN 19 Cb 0.41 -0.42 -0.04 0.00 -0.61 0.00 0.00 39.78 39.12 1qup n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qup h VAL 21 N -0.34 1.27 -0.34 0.00 2.07 -1.85 -2.68 116.25 114.38 1qup h VAL 21 Ca 0.07 -1.33 -0.09 0.00 0.82 0.00 0.00 66.70 66.17 1qup h VAL 21 Cb 0.44 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1qup h VAL 21 CO -0.24 0.44 -0.16 0.78 0.02 0.00 0.00 177.57 178.41 1qup h ASN 22 N 0.62 0.61 -0.02 0.57 2.35 -1.83 -1.70 115.58 116.16 1qup h ASN 22 Ca 0.09 -0.18 -0.14 0.00 -0.55 0.00 0.00 56.30 55.51 1qup h ASN 22 Cb 0.73 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 1qup h ASN 22 CO 0.06 0.78 -0.45 0.44 -1.65 0.00 0.00 177.43 176.60 1qup h ASP 23 N 0.55 0.61 -0.40 5.81 3.32 -0.99 -1.24 116.42 124.09 1qup h ASP 23 Ca 0.09 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 56.77 1qup h ASP 23 Cb 0.59 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1qup h ASP 23 CO 0.04 0.98 -0.07 0.40 -1.72 0.00 0.00 179.24 178.87 1qup h ILE 24 N 0.46 1.27 -0.57 0.35 2.04 -1.25 -0.09 117.51 119.71 1qup h ILE 24 Ca 0.03 -1.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.73 1qup h ILE 24 Cb 0.97 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 1qup h ILE 24 CO 0.09 0.38 0.26 0.11 0.00 0.00 0.00 178.15 178.98 1qup h LYS 25 N 0.56 0.84 -0.84 2.37 1.57 -1.19 -1.55 116.57 118.34 1qup h LYS 25 Ca 0.10 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1qup h LYS 25 Cb 0.58 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.70 1qup h LYS 25 CO 0.03 0.70 0.51 0.00 -0.57 0.00 0.00 179.45 180.12 1qup h ALA 26 N 1.10 1.07 -0.64 3.86 0.00 -1.07 0.18 119.26 123.75 1qup h ALA 26 Ca 0.19 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1qup h ALA 26 Cb 0.15 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 1qup h ALA 26 CO -0.02 0.53 0.36 0.00 0.00 0.00 0.00 179.25 180.12 1qup n LEU 28 N -4.79 1.78 -0.30 0.00 4.77 -0.65 -4.59 117.00 113.22 1qup n LEU 28 Ca 0.08 -0.61 0.13 0.00 -0.03 0.00 0.00 56.01 55.58 1qup n LEU 28 Cb 0.16 -0.04 0.29 0.00 -2.33 0.00 0.00 43.42 41.50 1qup n LEU 28 CO 0.29 0.32 0.97 0.50 -1.33 0.00 0.00 177.39 178.15 1qup h LYS 29 N 2.28 0.25 -0.70 3.23 1.63 -0.48 -2.11 116.57 120.67 1qup h LYS 29 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1qup h LYS 29 Cb 0.68 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1qup h LYS 29 CO 0.00 0.16 0.00 0.09 -3.45 0.00 0.00 179.45 176.25 1qup n ASN 30 N -5.18 3.78 -4.65 4.20 3.02 -1.26 -4.91 115.26 110.26 1qup n ASN 30 Ca 0.21 -2.01 -0.43 0.00 -0.03 0.00 0.00 54.58 52.33 1qup n ASN 30 Cb 0.67 -0.47 -0.02 0.00 -0.61 0.00 0.00 39.78 39.35 1qup n ASN 30 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qup s VAL 31 N -1.07 4.39 0.19 2.41 1.01 -0.79 -4.99 120.40 121.54 1qup s VAL 31 Ca 0.47 1.66 -0.30 0.00 0.00 0.00 0.00 61.98 63.81 1qup s VAL 31 Cb 0.25 -4.15 -0.08 0.00 0.00 0.00 0.00 36.38 32.39 1qup s VAL 31 CO 0.32 -0.24 1.15 -2.16 0.00 0.00 0.00 175.10 174.17 1qup s PRO 32 N 3.54 4.55 0.00 2.72 0.04 -1.26 -3.86 135.00 140.72 1qup s PRO 32 Ca 0.51 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1qup s PRO 32 Cb -0.18 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1qup s PRO 32 CO 0.14 0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.59 1qup n GLY 33 N 2.05 0.83 3.61 0.56 0.00 -1.26 -4.76 105.19 106.21 1qup n GLY 33 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1qup n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qup s ILE 34 N -2.00 4.97 0.00 -0.61 1.01 -1.25 -1.49 121.20 121.83 1qup s ILE 34 Ca 0.00 0.91 -0.11 0.00 0.00 0.00 0.00 60.65 61.45 1qup s ILE 34 Cb 0.00 -3.96 -0.32 0.00 0.01 0.00 0.00 42.46 38.19 1qup s ILE 34 CO 0.00 -0.08 0.88 0.78 0.00 0.00 0.00 174.94 176.52 1qup h ASN 35 N 8.11 0.67 -4.59 3.58 2.35 -0.75 -3.49 115.58 121.46 1qup h ASN 35 Ca -0.27 -0.83 0.01 0.00 -0.55 0.00 0.00 56.30 54.66 1qup h ASN 35 Cb 1.12 -0.22 -0.21 0.00 0.05 0.00 0.00 38.32 39.07 1qup h ASN 35 CO 0.78 1.67 0.36 -0.94 -1.65 0.00 0.00 177.43 177.66 1qup s SER 36 N -7.36 -0.52 -0.12 5.81 1.04 -1.01 -5.00 113.70 106.54 1qup s SER 36 Ca -0.11 0.54 0.01 0.00 0.48 0.00 0.00 55.95 56.87 1qup s SER 36 Cb 0.05 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.62 1qup s SER 36 CO 0.90 -0.50 -0.15 -0.76 0.98 0.00 0.00 173.24 173.71 1qup s LEU 37 N -1.23 1.69 -0.24 2.42 1.43 -1.26 -1.32 118.68 120.17 1qup s LEU 37 Ca -0.06 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1qup s LEU 37 Cb -0.00 -1.11 0.03 0.00 0.03 0.00 0.00 46.19 45.14 1qup s LEU 37 CO 0.05 -0.01 -0.09 0.20 0.23 0.00 0.00 176.35 176.73 1qup s ASN 38 N 1.16 4.14 -0.20 2.29 -0.87 0.19 -4.97 114.94 116.68 1qup s ASN 38 Ca -0.03 -0.95 -0.10 0.00 -1.57 0.00 0.00 52.86 50.22 1qup s ASN 38 Cb -0.14 -1.61 -0.05 0.00 -0.02 0.00 0.00 41.25 39.43 1qup s ASN 38 CO -0.05 -0.12 0.12 -0.36 -2.57 0.00 0.00 177.10 174.12 1qup s PHE 39 N 1.27 3.37 -0.65 2.20 0.40 -1.26 -0.56 117.98 122.75 1qup s PHE 39 Ca -0.01 0.27 -0.02 0.00 -0.60 0.00 0.00 56.93 56.57 1qup s PHE 39 Cb -0.17 -2.15 0.17 0.00 0.51 0.00 0.00 43.02 41.38 1qup s PHE 39 CO -0.06 0.25 0.46 0.34 0.70 0.00 0.00 175.22 176.91 1qup s ASP 40 N 0.41 5.20 0.28 1.36 -1.08 -0.28 -4.95 116.67 117.61 1qup s ASP 40 Ca 0.07 -3.01 0.01 0.00 -0.52 0.00 0.00 52.55 49.10 1qup s ASP 40 Cb -0.11 -1.83 0.53 0.00 -1.46 0.00 0.00 42.92 40.05 1qup s ASP 40 CO -0.01 -0.32 1.85 0.40 0.52 0.00 0.00 175.17 177.61 1qup h ILE 41 N 5.12 0.97 0.59 4.11 2.04 -1.96 0.22 117.51 128.60 1qup h ILE 41 Ca 0.00 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1qup h ILE 41 Cb 0.92 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1qup h ILE 41 CO 0.72 0.19 -0.43 -0.08 0.00 0.00 0.00 178.15 178.55 1qup h GLU 42 N 1.03 -0.95 0.00 2.37 4.81 -1.96 -2.58 114.58 117.30 1qup h GLU 42 Ca 0.47 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 1qup h GLU 42 Cb 0.40 0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1qup h GLU 42 CO -0.23 -0.63 0.00 1.04 -0.73 0.00 0.00 179.01 178.46 1qup n GLN 43 N -5.55 0.03 -3.51 1.92 6.02 -1.09 -4.93 117.38 110.29 1qup n GLN 43 Ca -0.13 0.10 -0.18 0.00 -0.01 0.00 0.00 57.00 56.78 1qup n GLN 43 Cb 0.43 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 30.27 1qup n GLN 43 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1qup n GLN 44 N -1.48 -5.77 -0.21 -1.09 6.02 0.75 -4.94 117.38 110.65 1qup n GLN 44 Ca 0.06 0.77 0.00 0.00 -0.01 0.00 0.00 57.00 57.82 1qup n GLN 44 Cb 0.26 -5.63 0.00 0.00 1.02 0.00 0.00 30.24 25.90 1qup n GLN 44 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1qup n ILE 45 N -4.13 0.00 -3.65 5.09 -5.35 -1.04 -2.26 119.36 108.03 1qup n ILE 45 Ca -0.28 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.15 1qup n ILE 45 Cb 0.67 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.51 1qup n ILE 45 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1qup s SER 47 N 0.79 -0.97 -0.16 7.28 0.15 0.28 -1.13 113.70 119.94 1qup s SER 47 Ca 0.00 1.48 0.01 0.00 0.70 0.00 0.00 55.95 58.14 1qup s SER 47 Cb 0.00 1.69 0.01 0.00 -1.71 0.00 0.00 66.02 66.00 1qup s SER 47 CO 0.00 -0.23 -0.17 -0.69 1.20 0.00 0.00 173.24 173.35 1qup s VAL 48 N 2.13 2.45 -0.24 4.45 1.01 0.75 -0.64 120.40 130.32 1qup s VAL 48 Ca -0.08 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 1qup s VAL 48 Cb -0.08 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1qup s VAL 48 CO -0.19 0.52 0.07 -0.70 0.00 0.00 0.00 175.10 174.80 1qup s GLU 49 N 0.99 3.73 0.33 2.72 2.12 -0.43 -1.25 118.70 126.91 1qup s GLU 49 Ca -0.02 -0.45 -0.18 0.00 0.36 0.00 0.00 54.97 54.68 1qup s GLU 49 Cb -0.15 -3.31 0.05 0.00 0.26 0.00 0.00 34.13 30.98 1qup s GLU 49 CO -0.04 -0.09 0.81 -1.54 -0.54 0.00 0.00 175.26 173.86 1qup s SER 50 N 1.37 -0.06 -0.17 -1.70 1.04 -0.56 0.05 113.70 113.67 1qup s SER 50 Ca 0.05 -0.95 0.15 0.00 0.48 0.00 0.00 55.95 55.68 1qup s SER 50 Cb -0.15 0.77 0.37 0.00 0.10 0.00 0.00 66.02 67.11 1qup s SER 50 CO 0.04 -1.51 1.22 -1.54 0.98 0.00 0.00 173.24 172.42 1qup n SER 51 N -1.15 2.25 -4.90 7.02 3.41 -0.55 -0.79 113.62 118.91 1qup n SER 51 Ca -0.07 -3.42 -0.32 0.00 -0.26 0.00 0.00 58.87 54.80 1qup n SER 51 Cb 0.60 -0.49 -0.05 0.00 -0.26 0.00 0.00 64.21 64.01 1qup n SER 51 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qup s VAL 52 N -3.03 5.33 0.20 -3.33 1.01 -1.26 -4.87 120.40 114.46 1qup s VAL 52 Ca 0.36 -0.14 -0.32 0.00 0.00 0.00 0.00 61.98 61.87 1qup s VAL 52 Cb 0.33 -3.60 -0.13 0.00 0.00 0.00 0.00 36.38 32.98 1qup s VAL 52 CO -0.00 0.20 1.62 0.00 0.00 0.00 0.00 175.10 176.92 1qup n ALA 53 N 0.54 2.05 -0.28 5.51 0.00 -1.26 -4.85 120.51 122.21 1qup n ALA 53 Ca -0.07 0.42 0.12 0.00 0.00 0.00 0.00 53.44 53.91 1qup n ALA 53 Cb 0.52 -2.42 0.37 0.00 0.00 0.00 0.00 19.45 17.91 1qup n ALA 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qup h PRO 54 N 5.96 0.69 -0.02 0.00 0.13 -1.99 0.67 132.00 137.43 1qup h PRO 54 Ca -0.44 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 1qup h PRO 54 Cb 1.23 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1qup h PRO 54 CO 0.89 0.46 -0.18 0.66 -0.23 0.00 0.00 178.00 179.60 1qup h SER 55 N 0.71 0.04 -0.58 1.44 4.64 -1.91 -2.21 113.55 115.67 1qup h SER 55 Ca 0.46 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.72 1qup h SER 55 Cb 0.74 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.79 1qup h SER 55 CO -0.22 0.22 0.14 0.74 -0.87 0.00 0.00 176.83 176.84 1qup h THR 56 N 0.04 1.25 -0.22 2.95 2.02 -1.21 0.29 112.91 118.02 1qup h THR 56 Ca 0.01 -0.90 -0.14 0.00 0.77 0.00 0.00 66.41 66.14 1qup h THR 56 Cb 0.34 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1qup h THR 56 CO 0.02 0.34 -0.42 0.40 0.37 0.00 0.00 175.52 176.24 1qup h ILE 57 N 0.93 1.32 -0.20 3.11 2.04 -1.36 -1.66 117.51 121.68 1qup h ILE 57 Ca 0.20 -1.64 -0.03 0.00 1.00 0.00 0.00 64.86 64.40 1qup h ILE 57 Cb 0.34 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1qup h ILE 57 CO 0.00 0.51 0.03 0.40 0.00 0.00 0.00 178.15 179.09 1qup h ILE 58 N 0.37 1.23 -0.62 -0.67 1.08 -1.15 -2.07 117.51 115.68 1qup h ILE 58 Ca 0.01 -0.76 -0.07 0.00 -0.39 0.00 0.00 64.86 63.65 1qup h ILE 58 Cb 1.02 1.34 -0.03 0.00 -3.07 0.00 0.00 36.82 36.08 1qup h ILE 58 CO 0.09 0.23 0.13 0.78 -0.69 0.00 0.00 178.15 178.69 1qup h ASN 59 N 0.13 0.94 -0.30 1.72 2.35 -0.47 -1.49 115.58 118.46 1qup h ASN 59 Ca 0.06 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.59 1qup h ASN 59 Cb 0.33 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1qup h ASN 59 CO 0.00 0.92 0.09 0.74 -1.65 0.00 0.00 177.43 177.54 1qup h THR 60 N 0.94 1.20 -0.47 2.81 2.02 -1.24 -0.92 112.91 117.25 1qup h THR 60 Ca 0.20 -0.66 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 1qup h THR 60 Cb 0.37 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1qup h THR 60 CO 0.01 0.22 0.22 -0.07 0.37 0.00 0.00 175.52 176.26 1qup h LEU 61 N 0.32 0.60 -0.53 2.58 3.38 -1.21 -1.93 115.31 118.51 1qup h LEU 61 Ca 0.10 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1qup h LEU 61 Cb 0.25 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1qup h LEU 61 CO -0.00 0.52 0.18 -0.09 0.09 0.00 0.00 178.44 179.13 1qup h ARG 62 N 0.67 0.81 0.00 1.13 2.43 -0.76 0.05 114.38 118.71 1qup h ARG 62 Ca 0.17 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1qup h ARG 62 Cb 0.09 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1qup h ARG 62 CO -0.02 0.74 -0.02 -0.91 -1.51 0.00 0.00 179.97 178.25 1qup h ASN 63 N 0.72 0.00 -0.57 -3.80 2.35 -0.40 0.48 115.58 114.36 1qup h ASN 63 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1qup h ASN 63 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1qup h ASN 63 CO -0.01 0.02 0.00 0.00 -1.65 0.00 0.00 177.43 175.80 1qup n GLY 65 N 1.40 0.56 3.45 0.00 0.00 0.16 -5.01 105.19 105.75 1qup n GLY 65 Ca 0.19 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 1qup n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qup s LYS 66 N -3.64 3.53 -0.49 1.61 -0.14 -0.09 -5.01 119.74 115.51 1qup s LYS 66 Ca 0.00 -0.59 -0.19 0.00 -1.36 0.00 0.00 55.97 53.83 1qup s LYS 66 Cb 0.00 -2.79 0.05 0.00 -1.68 0.00 0.00 37.83 33.41 1qup s LYS 66 CO 0.00 0.25 0.63 -0.51 -0.76 0.00 0.00 175.35 174.96 1qup s ASP 67 N 0.31 6.24 -0.21 2.83 1.01 -1.26 -3.58 116.67 122.01 1qup s ASP 67 Ca -0.06 -0.77 -0.10 0.00 0.71 0.00 0.00 52.55 52.32 1qup s ASP 67 Cb -0.15 -2.30 -0.05 0.00 1.01 0.00 0.00 42.92 41.44 1qup s ASP 67 CO 0.04 -0.87 0.14 0.00 0.21 0.00 0.00 175.17 174.69 1qup s ALA 68 N 2.69 3.66 -0.13 5.23 0.00 -1.26 -4.59 121.76 127.36 1qup s ALA 68 Ca 0.17 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.38 1qup s ALA 68 Cb -0.18 -2.22 -0.01 0.00 0.00 0.00 0.00 23.12 20.71 1qup s ALA 68 CO 0.14 0.04 -0.16 0.42 0.00 0.00 0.00 175.76 176.19 1qup s ILE 69 N 0.61 2.70 0.43 0.00 1.01 -0.78 -4.94 121.20 120.22 1qup s ILE 69 Ca 0.08 -0.78 -0.26 0.00 0.00 0.00 0.00 60.65 59.68 1qup s ILE 69 Cb -0.12 -2.11 -0.09 0.00 0.01 0.00 0.00 42.46 40.15 1qup s ILE 69 CO 0.00 0.53 1.44 0.27 0.00 0.00 0.00 174.94 177.18 1qup s ILE 70 N 0.45 2.09 -0.00 2.92 -4.36 -1.26 -0.09 121.20 120.94 1qup s ILE 70 Ca -0.12 0.08 0.03 0.00 -0.26 0.00 0.00 60.65 60.38 1qup s ILE 70 Cb -0.16 -3.05 -0.01 0.00 1.25 0.00 0.00 42.46 40.49 1qup s ILE 70 CO 0.05 0.01 -0.09 -0.60 0.24 0.00 0.00 174.94 174.55 1qup s ARG 71 N -2.33 0.75 0.43 0.37 6.06 -0.25 -4.69 118.95 119.29 1qup s ARG 71 Ca 0.58 -0.36 -0.24 0.00 -2.50 0.00 0.00 55.73 53.21 1qup s ARG 71 Cb -0.44 -0.72 -0.08 0.00 0.06 0.00 0.00 34.95 33.76 1qup s ARG 71 CO 0.58 0.20 1.17 0.20 -2.50 0.00 0.00 175.30 174.95 1qup s GLY 72 N -0.29 2.82 -0.01 8.12 0.00 0.05 -4.29 107.32 113.73 1qup s GLY 72 Ca 0.03 0.96 0.19 0.00 0.00 0.00 0.00 44.72 45.91 1qup s GLY 72 CO -0.00 1.45 1.48 0.00 0.00 0.00 0.00 173.10 176.03 1qup n ALA 73 N -0.19 2.49 -0.35 3.20 0.00 -1.26 -4.94 120.51 119.46 1qup n ALA 73 Ca 0.06 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1qup n ALA 73 Cb 0.47 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1qup n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qup n GLY 74 N 1.46 1.46 3.78 0.00 0.00 -1.26 -5.04 105.19 105.58 1qup n GLY 74 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1qup n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qup s LYS 75 N -0.31 4.08 0.20 1.61 -2.85 -1.26 -4.94 119.74 116.27 1qup s LYS 75 Ca 0.00 1.64 -0.32 0.00 -1.00 0.00 0.00 55.97 56.29 1qup s LYS 75 Cb 0.00 -2.57 -0.15 0.00 -2.06 0.00 0.00 37.83 33.05 1qup s LYS 75 CO 0.00 -0.24 1.13 -2.30 0.10 0.00 0.00 175.35 174.03 1qup n PRO 76 N -0.07 1.20 -4.28 1.78 -0.02 -1.26 -2.92 135.00 129.42 1qup n PRO 76 Ca 0.05 0.42 -0.32 0.00 -2.02 0.00 0.00 63.50 61.63 1qup n PRO 76 Cb 0.48 -1.89 -0.07 0.00 -0.02 0.00 0.00 33.50 32.00 1qup n PRO 76 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1qup n ASN 77 N 1.87 -0.18 -0.04 2.55 5.15 -1.26 -4.85 115.26 118.50 1qup n ASN 77 Ca 0.14 -1.19 -0.00 0.00 -0.60 0.00 0.00 54.58 52.92 1qup n ASN 77 Cb 0.26 -2.00 -0.10 0.00 -0.53 0.00 0.00 39.78 37.41 1qup n ASN 77 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1qup n SER 78 N -2.81 1.82 -4.65 1.20 3.41 -1.15 -4.20 113.62 107.24 1qup n SER 78 Ca -0.21 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.09 1qup n SER 78 Cb 0.63 1.20 -0.09 0.00 -0.26 0.00 0.00 64.21 65.69 1qup n SER 78 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1qup s SER 79 N -4.13 4.82 0.17 4.04 0.01 -1.26 -1.09 113.70 116.25 1qup s SER 79 Ca -0.06 -0.21 -0.14 0.00 1.31 0.00 0.00 55.95 56.85 1qup s SER 79 Cb 0.06 -1.10 0.02 0.00 0.21 0.00 0.00 66.02 65.21 1qup s SER 79 CO 0.55 0.20 0.41 0.00 0.41 0.00 0.00 173.24 174.81 1qup s ALA 80 N -1.22 -0.63 0.01 1.44 0.00 -0.12 -1.71 121.76 119.53 1qup s ALA 80 Ca 0.23 -0.39 -0.06 0.00 0.00 0.00 0.00 51.96 51.74 1qup s ALA 80 Cb -0.11 0.80 -0.00 0.00 0.00 0.00 0.00 23.12 23.80 1qup s ALA 80 CO 0.15 -0.71 0.10 0.54 0.00 0.00 0.00 175.76 175.84 1qup s VAL 81 N -3.88 0.09 -0.10 0.00 0.11 -0.13 -0.72 120.40 115.77 1qup s VAL 81 Ca 0.10 -0.76 -0.03 0.00 -2.93 0.00 0.00 61.98 58.36 1qup s VAL 81 Cb 0.01 -0.43 0.04 0.00 -1.53 0.00 0.00 36.38 34.47 1qup s VAL 81 CO -0.05 -0.42 0.06 0.00 -3.33 0.00 0.00 175.10 171.37 1qup s ALA 82 N -1.49 0.42 -0.29 1.54 0.00 -0.52 -0.41 121.76 121.01 1qup s ALA 82 Ca -0.14 -0.08 -0.23 0.00 0.00 0.00 0.00 51.96 51.51 1qup s ALA 82 Cb -0.08 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.22 1qup s ALA 82 CO 0.01 -0.76 0.74 0.42 0.00 0.00 0.00 175.76 176.16 1qup s ILE 83 N 2.11 4.86 -0.26 0.00 1.01 -1.26 -1.45 121.20 126.20 1qup s ILE 83 Ca 0.04 1.18 -0.15 0.00 0.00 0.00 0.00 60.65 61.72 1qup s ILE 83 Cb -0.14 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 1qup s ILE 83 CO -0.06 -0.15 0.38 -0.76 0.00 0.00 0.00 174.94 174.36 1qup s LEU 84 N 2.80 4.05 0.14 2.97 1.43 -0.47 -3.80 118.68 125.80 1qup s LEU 84 Ca 0.30 0.32 0.06 0.00 -1.03 0.00 0.00 54.13 53.79 1qup s LEU 84 Cb -0.15 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 1qup s LEU 84 CO 0.11 -0.18 -0.14 -1.61 0.23 0.00 0.00 176.35 174.75 1qup s GLU 85 N 2.02 1.11 0.57 1.70 2.02 -0.16 -0.34 118.70 125.63 1qup s GLU 85 Ca 0.16 -1.34 -0.14 0.00 0.02 0.00 0.00 54.97 53.67 1qup s GLU 85 Cb -0.16 -0.98 -0.06 0.00 0.10 0.00 0.00 34.13 33.04 1qup s GLU 85 CO 0.10 0.18 1.01 0.95 0.02 0.00 0.00 175.26 177.52 1qup s THR 86 N -2.36 4.61 -0.06 3.63 -4.23 -0.57 -0.32 115.64 116.35 1qup s THR 86 Ca 0.13 1.03 0.08 0.00 -1.18 0.00 0.00 61.69 61.75 1qup s THR 86 Cb -0.04 -3.79 0.13 0.00 1.34 0.00 0.00 72.50 70.14 1qup s THR 86 CO 0.04 -0.93 1.02 0.49 -0.54 0.00 0.00 174.62 174.69 1qup n PHE 87 N -2.23 0.00 -3.51 3.99 3.01 -1.26 -4.93 117.46 112.54 1qup n PHE 87 Ca 0.06 -0.60 -0.11 0.00 1.01 0.00 0.00 57.45 57.81 1qup n PHE 87 Cb 0.54 -0.09 -0.02 0.00 -0.01 0.00 0.00 39.48 39.90 1qup n PHE 87 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 1qup s GLN 88 N -1.60 1.30 0.22 -1.08 -2.07 -1.26 -4.84 119.66 110.33 1qup s GLN 88 Ca 0.14 -0.57 -0.30 0.00 -1.82 0.00 0.00 55.36 52.81 1qup s GLN 88 Cb 0.12 0.57 -0.08 0.00 -1.09 0.00 0.00 33.01 32.53 1qup s GLN 88 CO 0.01 -0.57 0.94 0.15 -1.32 0.00 0.00 175.29 174.50 1qup s LYS 89 N -3.78 4.82 -0.03 9.60 1.02 -1.26 -5.05 119.74 125.05 1qup s LYS 89 Ca 0.03 1.47 0.06 0.00 0.02 0.00 0.00 55.97 57.54 1qup s LYS 89 Cb -0.01 -3.29 -0.01 0.00 -0.52 0.00 0.00 37.83 33.99 1qup s LYS 89 CO -0.10 0.48 -0.22 0.71 -0.92 0.00 0.00 175.35 175.30 1qup s TYR 90 N -1.00 2.03 0.24 3.18 1.51 -1.26 -4.95 117.35 117.10 1qup s TYR 90 Ca 0.42 -0.50 -0.05 0.00 -1.01 0.00 0.00 57.07 55.93 1qup s TYR 90 Cb -0.25 -1.33 0.36 0.00 -0.11 0.00 0.00 41.96 40.63 1qup s TYR 90 CO 0.31 -0.12 1.82 1.15 -1.11 0.00 0.00 175.55 177.61 1qup h THR 91 N 4.89 0.95 0.00 -0.71 2.02 -1.97 -1.88 112.91 116.20 1qup h THR 91 Ca -0.36 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.54 1qup h THR 91 Cb 1.16 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1qup h THR 91 CO 0.47 0.15 0.00 0.16 0.37 0.00 0.00 175.52 176.68 1qup h ILE 92 N 0.82 0.00 -3.17 3.11 3.07 -1.96 -3.41 117.51 115.97 1qup h ILE 92 Ca 0.38 -0.48 -0.75 0.00 1.55 0.00 0.00 64.86 65.57 1qup h ILE 92 Cb 0.29 1.39 -0.25 0.00 -0.27 0.00 0.00 36.82 37.98 1qup h ILE 92 CO -0.22 0.00 -0.28 -0.62 -1.05 0.00 0.00 178.15 175.98 1qup s ASP 93 N -4.85 6.05 0.00 2.16 -1.08 -0.71 -4.72 116.67 113.52 1qup s ASP 93 Ca 0.07 -1.76 0.23 0.00 -0.52 0.00 0.00 52.55 50.56 1qup s ASP 93 Cb 0.10 -2.15 0.48 0.00 -1.46 0.00 0.00 42.92 39.88 1qup s ASP 93 CO 0.53 -0.79 1.42 0.00 0.52 0.00 0.00 175.17 176.86 1qup n GLN 94 N 5.16 2.30 -2.46 4.34 6.02 -1.26 -4.50 117.38 126.98 1qup n GLN 94 Ca -0.12 -1.95 -0.42 0.00 -0.01 0.00 0.00 57.00 54.49 1qup n GLN 94 Cb 0.41 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 30.16 1qup n GLN 94 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1qup s LYS 95 N -1.65 3.45 -0.00 -1.09 2.20 -1.26 -4.84 119.74 116.55 1qup s LYS 95 Ca 0.36 0.50 0.16 0.00 -0.36 0.00 0.00 55.97 56.62 1qup s LYS 95 Cb 0.21 -4.05 -0.18 0.00 -1.51 0.00 0.00 37.83 32.30 1qup s LYS 95 CO 0.30 -1.74 0.65 1.63 -0.36 0.00 0.00 175.35 175.83 1qup n LYS 96 N 8.41 1.68 0.29 4.03 5.02 -1.26 -4.44 118.16 131.89 1qup n LYS 96 Ca 0.12 -0.01 0.17 0.00 -2.02 0.00 0.00 58.31 56.57 1qup n LYS 96 Cb 0.49 -1.26 0.87 0.00 -0.02 0.00 0.00 35.03 35.11 1qup n LYS 96 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1qup h ASP 97 N 0.00 0.00 -4.49 4.39 2.03 -2.03 -3.44 116.42 112.87 1qup h ASP 97 Ca 0.00 0.00 0.08 0.00 -0.73 0.00 0.00 57.03 56.38 1qup h ASP 97 Cb 0.40 0.00 -0.18 0.00 -0.83 0.00 0.00 39.33 38.72 1qup h ASP 97 CO 0.00 0.05 0.47 0.28 -1.03 0.00 0.00 179.24 179.01 1qup s THR 98 N -4.02 0.00 -1.82 1.15 -1.32 -1.26 -5.03 115.64 103.34 1qup s THR 98 Ca -0.02 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.69 1qup s THR 98 Cb 0.12 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.15 1qup s THR 98 CO 0.52 0.00 1.21 0.00 -2.21 0.00 0.00 174.62 174.13 1qup n ALA 99 N 0.25 3.56 -2.09 11.08 0.00 -1.26 -4.92 120.51 127.12 1qup n ALA 99 Ca -0.11 -0.57 -0.42 0.00 0.00 0.00 0.00 53.44 52.35 1qup n ALA 99 Cb 0.60 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 1qup n ALA 99 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1qup s VAL 100 N -2.56 3.25 0.00 0.00 1.01 -1.26 -1.51 120.40 119.34 1qup s VAL 100 Ca 0.19 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1qup s VAL 100 Cb 0.18 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1qup s VAL 100 CO 0.59 0.03 0.16 0.54 0.00 0.00 0.00 175.10 176.42 1qup n ARG 101 N 4.72 1.01 -3.87 2.72 5.12 0.54 -4.94 116.66 121.96 1qup n ARG 101 Ca 0.13 -0.16 -0.01 0.00 -1.93 0.00 0.00 57.85 55.89 1qup n ARG 101 Cb 0.42 -0.57 0.01 0.00 -1.16 0.00 0.00 32.46 31.16 1qup n ARG 101 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1qup s GLY 102 N -0.19 -0.06 -0.21 -0.13 0.00 -1.00 -1.13 107.32 104.61 1qup s GLY 102 Ca 0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 44.72 44.49 1qup s GLY 102 CO 0.00 2.81 0.54 -2.27 0.00 0.00 0.00 173.10 174.18 1qup s LEU 103 N -3.42 -0.17 -0.15 0.66 2.96 0.11 -1.37 118.68 117.29 1qup s LEU 103 Ca 0.22 1.11 0.02 0.00 -0.22 0.00 0.00 54.13 55.26 1qup s LEU 103 Cb -0.01 1.85 0.01 0.00 0.50 0.00 0.00 46.19 48.54 1qup s LEU 103 CO 0.02 -0.19 -0.21 0.00 -1.32 0.00 0.00 176.35 174.65 1qup s ALA 104 N 0.59 2.30 -0.19 5.97 0.00 -0.53 -0.98 121.76 128.92 1qup s ALA 104 Ca -0.02 -1.13 -0.05 0.00 0.00 0.00 0.00 51.96 50.76 1qup s ALA 104 Cb -0.05 -1.07 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 1qup s ALA 104 CO -0.03 -0.12 0.01 1.03 0.00 0.00 0.00 175.76 176.64 1qup s ARG 105 N 0.95 3.70 -0.08 0.00 0.52 0.12 -1.44 118.95 122.72 1qup s ARG 105 Ca -0.04 -0.49 0.04 0.00 -0.52 0.00 0.00 55.73 54.73 1qup s ARG 105 Cb -0.15 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.25 1qup s ARG 105 CO -0.05 0.11 -0.20 0.42 0.02 0.00 0.00 175.30 175.60 1qup s ILE 106 N 0.75 1.70 -0.05 1.52 1.01 0.10 -0.13 121.20 126.11 1qup s ILE 106 Ca 0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 1qup s ILE 106 Cb -0.14 -1.48 0.03 0.00 0.01 0.00 0.00 42.46 40.88 1qup s ILE 106 CO 0.02 0.48 0.01 -0.69 0.00 0.00 0.00 174.94 174.76 1qup s VAL 107 N 0.32 0.20 -0.05 2.92 1.01 -0.46 -0.95 120.40 123.39 1qup s VAL 107 Ca -0.13 0.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.74 1qup s VAL 107 Cb -0.16 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 1qup s VAL 107 CO 0.06 0.19 0.81 -1.58 0.00 0.00 0.00 175.10 174.59 1qup s GLN 108 N 1.57 4.47 -0.00 2.72 0.74 -0.25 -0.57 119.66 128.34 1qup s GLN 108 Ca -0.02 1.09 0.02 0.00 0.05 0.00 0.00 55.36 56.50 1qup s GLN 108 Cb -0.13 -3.46 -0.02 0.00 1.10 0.00 0.00 33.01 30.50 1qup s GLN 108 CO -0.03 -0.01 0.08 1.33 -0.55 0.00 0.00 175.29 176.10 1qup n VAL 109 N 3.90 0.00 -4.11 1.34 0.24 -0.43 -4.91 118.33 114.37 1qup n VAL 109 Ca 0.02 -0.42 -0.11 0.00 -2.04 0.00 0.00 64.34 61.79 1qup n VAL 109 Cb 0.51 0.96 -0.08 0.00 -1.47 0.00 0.00 33.84 33.75 1qup n VAL 109 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1qup s GLY 110 N -1.26 0.99 0.31 7.63 0.00 -0.87 -3.68 107.32 110.45 1qup s GLY 110 Ca 0.01 -1.34 0.07 0.00 0.00 0.00 0.00 44.72 43.46 1qup s GLY 110 CO 0.08 -1.13 1.76 -2.09 0.00 0.00 0.00 173.10 171.72 1qup h GLU 111 N 2.58 0.69 -0.53 2.90 4.81 -1.97 -2.84 114.58 120.22 1qup h GLU 111 Ca -0.33 -0.04 -0.34 0.00 -0.13 0.00 0.00 59.36 58.52 1qup h GLU 111 Cb 1.24 -0.16 -0.41 0.00 0.63 0.00 0.00 28.75 30.05 1qup h GLU 111 CO 0.50 0.46 -1.03 -1.71 -0.73 0.00 0.00 179.01 176.49 1qup n ASN 112 N -4.80 2.60 -3.74 1.04 5.15 -1.26 -4.72 115.26 109.52 1qup n ASN 112 Ca 0.24 -2.55 -0.13 0.00 -0.60 0.00 0.00 54.58 51.54 1qup n ASN 112 Cb 0.63 -0.44 -0.14 0.00 -0.53 0.00 0.00 39.78 39.30 1qup n ASN 112 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1qup s LYS 113 N -3.74 0.15 -0.01 1.20 2.20 -1.07 -4.08 119.74 114.38 1qup s LYS 113 Ca 0.34 0.44 0.02 0.00 -0.36 0.00 0.00 55.97 56.42 1qup s LYS 113 Cb 0.35 -0.15 -0.00 0.00 -1.51 0.00 0.00 37.83 36.52 1qup s LYS 113 CO -0.02 -0.16 -0.08 0.99 -0.36 0.00 0.00 175.35 175.72 1qup s THR 114 N 1.20 0.66 -0.08 3.43 2.01 0.23 -1.32 115.64 121.76 1qup s THR 114 Ca -0.09 -0.33 -0.04 0.00 0.31 0.00 0.00 61.69 61.54 1qup s THR 114 Cb -0.11 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.80 1qup s THR 114 CO -0.07 0.20 0.07 -0.76 -0.69 0.00 0.00 174.62 173.37 1qup s LEU 115 N -0.05 3.96 -0.14 4.42 1.43 0.27 -1.21 118.68 127.36 1qup s LEU 115 Ca 0.01 0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 1qup s LEU 115 Cb -0.05 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.18 1qup s LEU 115 CO -0.00 0.37 -0.14 -0.36 0.23 0.00 0.00 176.35 176.44 1qup s PHE 116 N -1.00 2.11 -0.46 0.29 0.40 0.33 -1.35 117.98 118.29 1qup s PHE 116 Ca 0.16 -1.13 -0.14 0.00 -0.60 0.00 0.00 56.93 55.21 1qup s PHE 116 Cb -0.12 -1.54 0.08 0.00 0.51 0.00 0.00 43.02 41.94 1qup s PHE 116 CO 0.05 -0.61 0.37 0.34 0.70 0.00 0.00 175.22 176.07 1qup s ASP 117 N 1.35 6.05 -0.21 1.36 -1.08 0.81 -1.30 116.67 123.65 1qup s ASP 117 Ca 0.02 -1.38 -0.05 0.00 -0.52 0.00 0.00 52.55 50.62 1qup s ASP 117 Cb -0.13 -2.15 -0.02 0.00 -1.46 0.00 0.00 42.92 39.16 1qup s ASP 117 CO -0.08 -0.63 0.00 -0.63 0.52 0.00 0.00 175.17 174.35 1qup s ILE 118 N 1.60 3.85 -0.04 4.11 1.01 0.05 -0.70 121.20 131.07 1qup s ILE 118 Ca 0.04 -0.34 0.06 0.00 0.00 0.00 0.00 60.65 60.41 1qup s ILE 118 Cb -0.24 -2.76 -0.01 0.00 0.01 0.00 0.00 42.46 39.46 1qup s ILE 118 CO 0.06 0.41 -0.23 -0.89 0.00 0.00 0.00 174.94 174.28 1qup s THR 119 N 1.25 1.87 -0.04 2.92 2.01 -0.15 -0.84 115.64 122.67 1qup s THR 119 Ca 0.04 -0.99 0.05 0.00 0.31 0.00 0.00 61.69 61.09 1qup s THR 119 Cb -0.15 -1.57 -0.01 0.00 0.01 0.00 0.00 72.50 70.79 1qup s THR 119 CO 0.01 0.53 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.59 1qup s VAL 120 N -0.31 1.50 -0.23 3.82 1.01 -0.08 -0.71 120.40 125.41 1qup s VAL 120 Ca 0.02 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 61.13 1qup s VAL 120 Cb -0.11 -1.28 0.09 0.00 0.00 0.00 0.00 36.38 35.07 1qup s VAL 120 CO 0.01 0.43 0.53 0.21 0.00 0.00 0.00 175.10 176.28 1qup s ASN 121 N -0.05 -0.67 0.00 3.32 3.04 -0.28 -0.90 114.94 119.40 1qup s ASN 121 Ca -0.02 1.20 0.00 0.00 0.04 0.00 0.00 52.86 54.08 1qup s ASN 121 Cb -0.11 1.38 0.00 0.00 -1.54 0.00 0.00 41.25 40.98 1qup s ASN 121 CO 0.02 -0.22 0.00 0.61 -3.04 0.00 0.00 177.10 174.47 1qup n GLY 122 N 4.82 0.97 3.78 1.21 0.00 -0.02 -4.54 105.19 111.41 1qup n GLY 122 Ca -0.16 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1qup n GLY 122 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qup s VAL 123 N -2.00 4.50 0.11 1.61 -7.23 -0.95 -4.74 120.40 111.70 1qup s VAL 123 Ca 0.00 1.60 0.21 0.00 -1.81 0.00 0.00 61.98 61.98 1qup s VAL 123 Cb 0.00 -4.09 0.18 0.00 0.56 0.00 0.00 36.38 33.03 1qup s VAL 123 CO 0.00 0.50 1.75 1.55 -0.31 0.00 0.00 175.10 178.59 1qup h PRO 124 N 4.60 0.00 -5.00 4.82 0.13 -1.88 0.95 132.00 135.62 1qup h PRO 124 Ca -0.47 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.00 1qup h PRO 124 Cb 1.21 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.05 1qup h PRO 124 CO 0.66 0.30 -0.74 -1.21 -0.23 0.00 0.00 178.00 176.79 1qup s GLU 125 N -3.56 3.31 0.62 0.86 2.02 -1.26 -4.85 118.70 115.84 1qup s GLU 125 Ca 0.01 -0.66 -0.17 0.00 0.02 0.00 0.00 54.97 54.17 1qup s GLU 125 Cb 0.10 -2.95 -0.02 0.00 0.10 0.00 0.00 34.13 31.36 1qup s GLU 125 CO 0.67 -0.20 1.13 0.00 0.02 0.00 0.00 175.26 176.87 1qup s ALA 126 N 1.45 2.54 0.00 5.21 0.00 -1.26 -4.94 121.76 124.76 1qup s ALA 126 Ca 0.06 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1qup s ALA 126 Cb -0.14 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1qup s ALA 126 CO -0.05 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.01 1qup n GLY 127 N -0.19 -0.89 3.64 0.00 0.00 -0.59 -5.03 105.19 102.13 1qup n GLY 127 Ca 0.11 -1.47 -0.38 0.00 0.00 0.00 0.00 46.02 44.28 1qup n GLY 127 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qup s ASN 128 N -2.93 6.29 0.14 1.61 -0.87 -1.26 -0.58 114.94 117.35 1qup s ASN 128 Ca 0.00 0.33 0.04 0.00 -1.57 0.00 0.00 52.86 51.66 1qup s ASN 128 Cb 0.00 -2.19 -0.04 0.00 -0.02 0.00 0.00 41.25 39.00 1qup s ASN 128 CO 0.00 -0.08 0.18 -0.31 -2.57 0.00 0.00 177.10 174.32 1qup s TYR 129 N 1.53 3.28 -0.04 2.20 1.51 0.17 -4.78 117.35 121.22 1qup s TYR 129 Ca 0.15 0.05 0.05 0.00 -1.01 0.00 0.00 57.07 56.31 1qup s TYR 129 Cb -0.15 -1.59 -0.01 0.00 -0.11 0.00 0.00 41.96 40.11 1qup s TYR 129 CO 0.08 0.52 -0.21 -1.01 -1.11 0.00 0.00 175.55 173.82 1qup s HIS 130 N -1.69 2.01 0.02 2.71 3.76 -0.08 -0.17 115.29 121.85 1qup s HIS 130 Ca 0.32 -0.54 -0.01 0.00 -0.15 0.00 0.00 55.06 54.68 1qup s HIS 130 Cb -0.11 -1.33 -0.04 0.00 1.11 0.00 0.00 32.58 32.22 1qup s HIS 130 CO 0.25 -0.16 0.15 0.00 -0.85 0.00 0.00 174.74 174.14 1qup s ALA 131 N -0.15 3.84 0.18 -1.40 0.00 -1.26 -1.37 121.76 121.60 1qup s ALA 131 Ca -0.01 -0.83 -0.20 0.00 0.00 0.00 0.00 51.96 50.92 1qup s ALA 131 Cb -0.12 -1.75 0.05 0.00 0.00 0.00 0.00 23.12 21.30 1qup s ALA 131 CO 0.02 0.75 0.55 -1.54 0.00 0.00 0.00 175.76 175.54 1qup s SER 132 N -2.07 -0.38 -0.14 0.00 1.04 -0.02 -1.77 113.70 110.36 1qup s SER 132 Ca 0.28 -0.26 0.01 0.00 0.48 0.00 0.00 55.95 56.46 1qup s SER 132 Cb -0.13 0.58 -0.00 0.00 0.10 0.00 0.00 66.02 66.58 1qup s SER 132 CO 0.20 -1.01 -0.17 -0.63 0.98 0.00 0.00 173.24 172.61 1qup s ILE 133 N -3.81 2.58 0.23 -1.02 1.01 0.17 -0.58 121.20 119.78 1qup s ILE 133 Ca 0.05 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 1qup s ILE 133 Cb -0.01 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 1qup s ILE 133 CO -0.08 0.53 0.44 -1.00 0.00 0.00 0.00 174.94 174.83 1qup s HIS 134 N 0.65 3.48 0.17 3.97 3.76 -0.48 0.02 115.29 126.86 1qup s HIS 134 Ca -0.09 0.41 -0.15 0.00 -0.15 0.00 0.00 55.06 55.08 1qup s HIS 134 Cb -0.16 -1.92 0.13 0.00 1.11 0.00 0.00 32.58 31.74 1qup s HIS 134 CO 0.02 0.31 1.69 0.93 -0.85 0.00 0.00 174.74 176.85 1qup h GLU 135 N 1.85 0.09 -6.22 1.40 5.08 -0.97 -3.10 114.58 112.71 1qup h GLU 135 Ca -0.48 -0.01 -0.56 0.00 -1.00 0.00 0.00 59.36 57.31 1qup h GLU 135 Cb 1.19 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.35 1qup h GLU 135 CO 0.67 0.06 -0.58 0.15 -1.00 0.00 0.00 179.01 178.31 1qup s LYS 136 N -6.18 2.80 0.00 2.33 3.01 0.06 -4.66 119.74 117.10 1qup s LYS 136 Ca -0.13 -0.97 0.21 0.00 -1.01 0.00 0.00 55.97 54.07 1qup s LYS 136 Cb 0.15 -2.56 0.29 0.00 -1.01 0.00 0.00 37.83 34.69 1qup s LYS 136 CO 0.71 0.46 1.25 0.41 0.51 0.00 0.00 175.35 178.70 1qup n GLY 137 N -0.50 1.23 3.61 -3.33 0.00 -0.97 -3.01 105.19 102.23 1qup n GLY 137 Ca -0.08 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 1qup n GLY 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qup s ASP 138 N -1.52 5.80 -0.25 1.61 -1.08 -1.26 -4.71 116.67 115.27 1qup s ASP 138 Ca 0.30 1.85 0.12 0.00 -0.52 0.00 0.00 52.55 54.30 1qup s ASP 138 Cb 0.19 -2.52 0.49 0.00 -1.46 0.00 0.00 42.92 39.62 1qup s ASP 138 CO 0.27 -1.69 1.42 1.33 0.52 0.00 0.00 175.17 177.02 1qup n VAL 139 N 7.21 2.42 0.18 1.11 0.24 -1.26 -2.88 118.33 125.34 1qup n VAL 139 Ca 0.26 -2.48 0.09 0.00 -2.04 0.00 0.00 64.34 60.16 1qup n VAL 139 Cb 0.45 -0.29 0.45 0.00 -1.47 0.00 0.00 33.84 32.97 1qup n VAL 139 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1qup n SER 140 N -0.98 0.44 -2.58 -1.34 3.41 -1.26 -2.20 113.62 109.12 1qup n SER 140 Ca 0.28 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.58 1qup n SER 140 Cb 0.96 -0.75 0.05 0.00 -0.26 0.00 0.00 64.21 64.21 1qup n SER 140 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1qup n LYS 141 N -2.08 1.39 0.00 4.33 5.02 -1.26 -5.04 118.16 120.52 1qup n LYS 141 Ca -0.00 -2.91 0.00 0.00 -2.02 0.00 0.00 58.31 53.37 1qup n LYS 141 Cb 0.06 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1qup n LYS 141 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qup n GLY 142 N -0.56 0.55 0.29 0.72 0.00 -0.93 -2.89 105.19 102.36 1qup n GLY 142 Ca 0.02 -0.80 0.13 0.00 0.00 0.00 0.00 46.02 45.38 1qup n GLY 142 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1qup h VAL 143 N 0.00 0.66 -0.63 1.61 -1.51 -1.90 -2.92 116.25 111.55 1qup h VAL 143 Ca 0.00 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 65.54 1qup h VAL 143 Cb 0.00 1.00 -0.06 0.00 -2.13 0.00 0.00 31.29 30.10 1qup h VAL 143 CO 0.00 0.00 0.31 -0.08 -1.23 0.00 0.00 177.57 176.57 1qup h GLU 144 N 0.00 0.54 0.00 5.19 4.81 -1.88 -1.87 114.58 121.37 1qup h GLU 144 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1qup h GLU 144 Cb 0.00 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1qup h GLU 144 CO -0.00 0.36 0.00 -1.13 -0.73 0.00 0.00 179.01 177.51 1qup n SER 145 N -4.87 0.00 -0.16 1.04 3.41 -1.10 -3.41 113.62 108.52 1qup n SER 145 Ca 0.08 -0.62 0.15 0.00 -0.26 0.00 0.00 58.87 58.22 1qup n SER 145 Cb 0.21 -0.10 0.73 0.00 -0.26 0.00 0.00 64.21 64.79 1qup n SER 145 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1qup n THR 146 N -1.10 0.00 -4.42 6.66 -2.24 -0.70 -4.38 114.28 108.10 1qup n THR 146 Ca 0.19 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1qup n THR 146 Cb 0.14 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1qup n THR 146 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qup n GLY 147 N 1.14 -0.41 3.80 3.38 0.00 -1.22 -0.76 105.19 111.12 1qup n GLY 147 Ca 0.19 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 1qup n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qup s LYS 148 N 0.00 2.66 0.05 1.61 1.02 -1.26 -4.66 119.74 119.16 1qup s LYS 148 Ca 0.00 1.05 -0.31 0.00 0.02 0.00 0.00 55.97 56.74 1qup s LYS 148 Cb 0.00 -1.95 -0.07 0.00 -0.52 0.00 0.00 37.83 35.29 1qup s LYS 148 CO 0.00 -1.32 1.53 0.08 -0.92 0.00 0.00 175.35 174.72 1qup s VAL 149 N -2.97 3.31 -0.19 3.17 1.01 -1.26 -0.94 120.40 122.52 1qup s VAL 149 Ca 0.59 0.75 0.03 0.00 0.00 0.00 0.00 61.98 63.36 1qup s VAL 149 Cb -0.15 -3.49 -0.21 0.00 0.00 0.00 0.00 36.38 32.53 1qup s VAL 149 CO 0.55 0.00 0.06 1.87 0.00 0.00 0.00 175.10 177.58 1qup n TRP 150 N 5.35 0.43 -3.74 5.22 -0.00 0.10 -4.81 117.44 120.00 1qup n TRP 150 Ca 0.14 0.10 -0.12 0.00 -0.00 0.00 0.00 57.50 57.63 1qup n TRP 150 Cb 0.42 -1.06 -0.11 0.00 -0.00 0.00 0.00 31.31 30.55 1qup n TRP 150 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 1qup s HIS 151 N -2.53 -0.42 -0.14 5.87 2.46 -0.72 -4.98 115.29 114.84 1qup s HIS 151 Ca -0.25 0.97 0.00 0.00 0.47 0.00 0.00 55.06 56.26 1qup s HIS 151 Cb 0.08 0.14 -0.01 0.00 -0.13 0.00 0.00 32.58 32.66 1qup s HIS 151 CO 0.70 -0.22 -0.15 0.21 -2.47 0.00 0.00 174.74 172.81 1qup s LYS 152 N 0.63 3.29 -0.12 2.88 2.20 -1.26 -0.65 119.74 126.71 1qup s LYS 152 Ca -0.04 -0.73 -0.21 0.00 -0.36 0.00 0.00 55.97 54.63 1qup s LYS 152 Cb -0.05 -2.59 -0.03 0.00 -1.51 0.00 0.00 37.83 33.64 1qup s LYS 152 CO -0.04 0.14 0.61 -0.06 -0.36 0.00 0.00 175.35 175.63 1qup s PHE 153 N 0.53 3.50 0.21 4.03 0.40 -0.73 -4.97 117.98 120.95 1qup s PHE 153 Ca -0.10 1.04 0.03 0.00 -0.60 0.00 0.00 56.93 57.31 1qup s PHE 153 Cb -0.16 -2.72 0.14 0.00 0.51 0.00 0.00 43.02 40.79 1qup s PHE 153 CO 0.04 0.04 1.48 -0.44 0.70 0.00 0.00 175.22 177.04 1qup h ASP 154 N 6.95 0.27 -2.92 1.36 3.32 -1.99 -3.41 116.42 120.00 1qup h ASP 154 Ca -0.38 -0.18 -0.56 0.00 0.02 0.00 0.00 57.03 55.92 1qup h ASP 154 Cb 1.18 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 1qup h ASP 154 CO 0.76 0.90 0.88 -1.61 -1.72 0.00 0.00 179.24 178.44 1qup s GLU 155 N -3.54 4.25 0.75 3.56 8.01 -1.26 -5.02 118.70 125.46 1qup s GLU 155 Ca -0.04 1.72 -0.12 0.00 0.01 0.00 0.00 54.97 56.55 1qup s GLU 155 Cb 0.11 -3.73 0.04 0.00 -4.31 0.00 0.00 34.13 26.24 1qup s GLU 155 CO 0.81 -0.66 1.11 -1.25 0.01 0.00 0.00 175.26 175.28 1qup s PRO 156 N 3.23 2.44 -0.34 0.39 0.04 -1.26 -4.64 135.00 134.87 1qup s PRO 156 Ca 0.57 0.43 -0.08 0.00 0.04 0.00 0.00 61.00 61.96 1qup s PRO 156 Cb -0.24 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.35 1qup s PRO 156 CO 0.18 -1.32 0.13 0.42 0.04 0.00 0.00 177.00 176.44 1qup s ILE 157 N -3.35 4.04 -0.34 0.56 1.09 0.77 -4.91 121.20 119.06 1qup s ILE 157 Ca 0.60 -0.95 -0.29 0.00 -1.10 0.00 0.00 60.65 58.91 1qup s ILE 157 Cb -0.12 -3.23 0.02 0.00 -1.06 0.00 0.00 42.46 38.07 1qup s ILE 157 CO 0.52 -0.13 1.13 -1.61 -0.10 0.00 0.00 174.94 174.75 1qup s GLU 158 N 1.47 3.99 -0.68 2.79 2.02 -1.26 -0.65 118.70 126.38 1qup s GLU 158 Ca 0.00 1.03 0.01 0.00 0.02 0.00 0.00 54.97 56.03 1qup s GLU 158 Cb -0.19 -3.79 0.17 0.00 0.10 0.00 0.00 34.13 30.42 1qup s GLU 158 CO 0.04 -1.01 0.48 0.00 0.02 0.00 0.00 175.26 174.79 1qup n PHE 160 N 2.84 0.00 -2.27 0.00 3.01 -1.19 -1.54 117.46 118.31 1qup n PHE 160 Ca 0.13 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.25 1qup n PHE 160 Cb 0.36 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.82 1qup n PHE 160 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1qup s ASN 161 N -0.42 5.96 0.11 4.37 0.01 -1.08 -4.85 114.94 119.05 1qup s ASN 161 Ca 0.00 1.93 -0.30 0.00 -0.71 0.00 0.00 52.86 53.78 1qup s ASN 161 Cb 0.00 -2.55 -0.07 0.00 0.41 0.00 0.00 41.25 39.04 1qup s ASN 161 CO 0.00 -1.05 1.24 -0.70 -1.51 0.00 0.00 177.10 175.08 1qup s GLU 162 N -3.60 4.43 0.11 -0.60 2.12 -1.26 -1.08 118.70 118.81 1qup s GLU 162 Ca 0.67 1.87 -0.30 0.00 0.36 0.00 0.00 54.97 57.57 1qup s GLU 162 Cb -0.18 -3.29 -0.06 0.00 0.26 0.00 0.00 34.13 30.86 1qup s GLU 162 CO 0.28 -0.24 1.16 0.45 -0.54 0.00 0.00 175.26 176.37 1qup s SER 163 N 0.76 7.14 0.22 -1.70 0.15 -0.41 -4.64 113.70 115.22 1qup s SER 163 Ca 0.58 2.05 0.24 0.00 0.70 0.00 0.00 55.95 59.52 1qup s SER 163 Cb -0.32 -2.59 0.92 0.00 -1.71 0.00 0.00 66.02 62.32 1qup s SER 163 CO 0.32 -0.38 1.72 -0.90 1.20 0.00 0.00 173.24 175.20 1qup n ASP 164 N 3.33 0.64 -3.92 5.45 5.75 -1.26 -4.07 116.55 122.45 1qup n ASP 164 Ca 0.07 0.62 -0.33 0.00 -0.01 0.00 0.00 54.79 55.14 1qup n ASP 164 Cb 0.46 -0.77 -0.08 0.00 -1.03 0.00 0.00 41.12 39.71 1qup n ASP 164 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1qup n LEU 165 N -2.16 4.01 0.00 -2.12 7.94 -1.26 -5.03 117.00 118.38 1qup n LEU 165 Ca 0.03 -5.22 0.00 0.00 -1.11 0.00 0.00 56.01 49.71 1qup n LEU 165 Cb 0.29 -0.95 0.00 0.00 0.53 0.00 0.00 43.42 43.29 1qup n LEU 165 CO 0.23 1.71 0.00 0.61 -1.11 0.00 0.00 177.39 178.83 1qup n GLY 166 N 1.86 2.95 3.62 -3.96 0.00 -1.26 -4.74 105.19 103.66 1qup n GLY 166 Ca 0.23 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 43.94 1qup n GLY 166 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qup s LYS 167 N -2.12 3.98 -1.51 1.61 -2.85 -1.26 -4.44 119.74 113.14 1qup s LYS 167 Ca 0.00 -0.33 0.00 0.00 -1.00 0.00 0.00 55.97 54.64 1qup s LYS 167 Cb 0.00 -3.41 0.00 0.00 -2.06 0.00 0.00 37.83 32.36 1qup s LYS 167 CO 0.00 0.09 0.00 0.09 0.10 0.00 0.00 175.35 175.63 1qup n ASN 168 N 4.16 -5.15 -4.78 0.03 3.02 -1.26 -5.02 115.26 106.26 1qup n ASN 168 Ca -0.16 -0.01 -0.22 0.00 -0.03 0.00 0.00 54.58 54.16 1qup n ASN 168 Cb 0.52 -4.23 -0.05 0.00 -0.61 0.00 0.00 39.78 35.41 1qup n ASN 168 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1qup s LEU 169 N -5.04 3.49 0.29 3.41 1.43 -1.26 -4.84 118.68 116.16 1qup s LEU 169 Ca 0.00 -0.54 0.11 0.00 -1.03 0.00 0.00 54.13 52.67 1qup s LEU 169 Cb 0.00 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 1qup s LEU 169 CO 0.00 -0.21 -0.16 -0.31 0.23 0.00 0.00 176.35 175.89 1qup s TYR 170 N -2.30 2.23 0.13 0.29 1.51 0.33 -1.29 117.35 118.25 1qup s TYR 170 Ca 0.37 -0.42 -0.02 0.00 -1.01 0.00 0.00 57.07 55.99 1qup s TYR 170 Cb -0.05 -1.06 -0.04 0.00 -0.11 0.00 0.00 41.96 40.70 1qup s TYR 170 CO 0.24 0.62 0.08 -1.54 -1.11 0.00 0.00 175.55 173.84 1qup s SER 171 N -3.51 0.28 0.14 2.29 1.04 -0.24 -0.84 113.70 112.87 1qup s SER 171 Ca 0.30 -1.17 -0.25 0.00 0.48 0.00 0.00 55.95 55.31 1qup s SER 171 Cb -0.02 0.31 0.07 0.00 0.10 0.00 0.00 66.02 66.47 1qup s SER 171 CO 0.14 -0.74 0.98 -0.83 0.98 0.00 0.00 173.24 173.77 1qup s GLY 172 N -3.04 -0.24 -0.09 7.32 0.00 -0.08 -2.62 107.32 108.57 1qup s GLY 172 Ca 0.23 0.17 -0.24 0.00 0.00 0.00 0.00 44.72 44.88 1qup s GLY 172 CO 0.01 0.01 0.55 -1.59 0.00 0.00 0.00 173.10 172.09 1qup s LYS 173 N -3.23 0.84 -0.00 2.90 -2.85 -1.26 -0.90 119.74 115.24 1qup s LYS 173 Ca 0.12 0.30 -0.08 0.00 -1.00 0.00 0.00 55.97 55.31 1qup s LYS 173 Cb -0.01 0.40 0.01 0.00 -2.06 0.00 0.00 37.83 36.16 1qup s LYS 173 CO 0.02 -0.22 0.16 0.99 0.10 0.00 0.00 175.35 176.40 1qup s THR 174 N -0.78 0.08 -0.18 3.79 2.01 -0.02 -4.69 115.64 115.85 1qup s THR 174 Ca -0.08 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.30 1qup s THR 174 Cb -0.03 -0.45 0.02 0.00 0.01 0.00 0.00 72.50 72.06 1qup s THR 174 CO 0.06 -0.34 -0.19 0.12 -0.69 0.00 0.00 174.62 173.57 1qup s PHE 175 N -1.29 2.79 0.28 4.92 5.36 -1.26 -0.77 117.98 128.00 1qup s PHE 175 Ca -0.14 -1.62 0.09 0.00 -0.96 0.00 0.00 56.93 54.30 1qup s PHE 175 Cb -0.07 -1.93 -0.06 0.00 -0.34 0.00 0.00 43.02 40.63 1qup s PHE 175 CO 0.02 -0.80 -0.12 -0.51 -1.46 0.00 0.00 175.22 172.35 1qup s LEU 176 N 1.29 2.58 -0.02 6.12 1.43 -0.42 -4.93 118.68 124.75 1qup s LEU 176 Ca 0.05 -1.12 0.02 0.00 -1.03 0.00 0.00 54.13 52.05 1qup s LEU 176 Cb -0.13 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.25 1qup s LEU 176 CO -0.13 -0.19 -0.07 -0.55 0.23 0.00 0.00 176.35 175.65 1qup s SER 177 N -3.47 0.96 -0.03 2.29 0.15 -1.26 -0.51 113.70 111.82 1qup s SER 177 Ca 0.29 -0.15 -0.10 0.00 0.70 0.00 0.00 55.95 56.69 1qup s SER 177 Cb 0.00 -0.21 0.02 0.00 -1.71 0.00 0.00 66.02 64.12 1qup s SER 177 CO 0.13 0.06 0.22 0.00 1.20 0.00 0.00 173.24 174.85 1qup s ALA 178 N 0.08 -0.55 -1.42 5.45 0.00 -0.35 -4.98 121.76 119.99 1qup s ALA 178 Ca -0.01 0.28 -0.09 0.00 0.00 0.00 0.00 51.96 52.14 1qup s ALA 178 Cb -0.06 -0.07 -0.10 0.00 0.00 0.00 0.00 23.12 22.88 1qup s ALA 178 CO -0.00 -0.19 2.94 -0.35 0.00 0.00 0.00 175.76 178.16 1qup n PRO 179 N 1.91 3.41 -3.67 0.00 -0.04 -1.26 -0.60 135.00 134.74 1qup n PRO 179 Ca -0.19 -2.02 -0.30 0.00 -0.04 0.00 0.00 63.50 60.95 1qup n PRO 179 Cb 0.57 -2.70 -0.14 0.00 -0.04 0.00 0.00 33.50 31.19 1qup n PRO 179 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1qup s LEU 180 N 0.15 2.01 0.61 1.53 1.43 -1.26 -4.82 118.68 118.33 1qup s LEU 180 Ca 0.67 -1.89 -0.18 0.00 -1.03 0.00 0.00 54.13 51.70 1qup s LEU 180 Cb 0.18 -0.79 -0.05 0.00 0.03 0.00 0.00 46.19 45.57 1qup s LEU 180 CO -0.05 -0.37 0.91 -0.81 0.23 0.00 0.00 176.35 176.26 1qup n PRO 181 N 4.50 0.81 -0.23 1.29 -0.04 -1.26 -4.49 135.00 135.57 1qup n PRO 181 Ca 0.02 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 63.92 1qup n PRO 181 Cb 0.40 -2.12 0.41 0.00 -0.04 0.00 0.00 33.50 32.15 1qup n PRO 181 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1qup h THR 182 N 0.38 0.85 0.00 0.52 2.02 -1.85 -1.43 112.91 113.40 1qup h THR 182 Ca -0.48 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 1qup h THR 182 Cb 1.37 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1qup h THR 182 CO 0.50 0.11 -0.02 4.11 0.37 0.00 0.00 175.52 180.59 1qup h TRP 183 N 0.62 0.00 0.00 3.16 5.08 -1.90 -0.31 115.95 122.60 1qup h TRP 183 Ca 0.41 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.37 1qup h TRP 183 Cb 0.70 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.86 1qup h TRP 183 CO -0.00 0.02 -0.10 1.96 -1.28 0.00 0.00 178.44 179.05 1qup h GLN 184 N 0.00 0.00 0.05 0.12 4.20 -1.59 -3.36 115.11 114.53 1qup h GLN 184 Ca -0.00 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.35 1qup h GLN 184 Cb 0.08 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 1qup h GLN 184 CO 0.00 0.03 -2.09 1.28 -0.67 0.00 0.00 178.83 177.38 1qup n LEU 185 N -3.08 2.00 -4.72 1.46 4.77 -0.19 -4.86 117.00 112.37 1qup n LEU 185 Ca 0.04 0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.74 1qup n LEU 185 Cb 0.55 -0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 1qup n LEU 185 CO 0.35 0.73 1.02 2.30 -1.33 0.00 0.00 177.39 180.46 1qup n ILE 186 N -3.24 1.76 0.00 -0.08 -5.35 -0.81 -1.76 119.36 109.87 1qup n ILE 186 Ca -0.32 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 61.72 1qup n ILE 186 Cb 1.05 -1.72 0.00 0.00 -1.74 0.00 0.00 39.64 37.23 1qup n ILE 186 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qup n GLY 187 N 1.01 3.06 3.82 3.28 0.00 0.17 -4.98 105.19 111.55 1qup n GLY 187 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1qup n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qup n ARG 188 N -2.00 -0.47 -4.53 1.61 1.74 -0.72 -2.29 116.66 110.00 1qup n ARG 188 Ca 0.00 -2.48 -0.33 0.00 -0.77 0.00 0.00 57.85 54.28 1qup n ARG 188 Cb 0.00 -0.87 -0.11 0.00 -1.02 0.00 0.00 32.46 30.46 1qup n ARG 188 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1qup s SER 189 N -5.25 4.59 -0.23 0.55 1.04 -1.16 -0.45 113.70 112.78 1qup s SER 189 Ca 0.68 -0.12 -0.08 0.00 0.48 0.00 0.00 55.95 56.91 1qup s SER 189 Cb -0.03 -1.08 -0.04 0.00 0.10 0.00 0.00 66.02 64.97 1qup s SER 189 CO 0.46 0.31 0.10 0.12 0.98 0.00 0.00 173.24 175.21 1qup s PHE 190 N -0.93 3.19 -0.06 5.02 5.36 -0.12 -1.38 117.98 129.05 1qup s PHE 190 Ca 0.16 -0.08 0.04 0.00 -0.96 0.00 0.00 56.93 56.08 1qup s PHE 190 Cb -0.11 -2.21 0.00 0.00 -0.34 0.00 0.00 43.02 40.36 1qup s PHE 190 CO 0.06 -0.10 -0.18 0.08 -1.46 0.00 0.00 175.22 173.61 1qup s VAL 191 N 1.17 1.56 -0.06 3.12 1.01 0.25 -1.92 120.40 125.53 1qup s VAL 191 Ca 0.05 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.32 1qup s VAL 191 Cb -0.14 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 1qup s VAL 191 CO 0.04 0.45 -0.22 -0.63 0.00 0.00 0.00 175.10 174.74 1qup s ILE 192 N 0.24 1.82 0.20 2.22 1.01 -0.63 -0.84 121.20 125.22 1qup s ILE 192 Ca -0.10 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.49 1qup s ILE 192 Cb -0.14 -1.55 0.01 0.00 0.01 0.00 0.00 42.46 40.78 1qup s ILE 192 CO 0.04 0.51 0.44 -0.94 0.00 0.00 0.00 174.94 175.00 1qup s SER 193 N 0.04 -0.13 -0.07 3.58 1.04 -0.47 -1.56 113.70 116.12 1qup s SER 193 Ca -0.07 -0.69 -0.18 0.00 0.48 0.00 0.00 55.95 55.49 1qup s SER 193 Cb -0.14 0.54 0.04 0.00 0.10 0.00 0.00 66.02 66.56 1qup s SER 193 CO 0.04 -1.03 0.42 -0.75 0.98 0.00 0.00 173.24 172.90 1qup s LYS 194 N -3.93 0.67 0.28 4.02 2.20 -0.73 -0.90 119.74 121.36 1qup s LYS 194 Ca 0.14 0.17 -0.29 0.00 -0.36 0.00 0.00 55.97 55.63 1qup s LYS 194 Cb 0.00 0.31 -0.10 0.00 -1.51 0.00 0.00 37.83 36.53 1qup s LYS 194 CO 0.01 -0.16 1.39 -1.12 -0.36 0.00 0.00 175.35 175.10 1qup s SER 195 N -0.73 6.70 0.35 1.43 0.01 -1.26 -0.44 113.70 119.75 1qup s SER 195 Ca -0.08 2.68 -0.28 0.00 1.31 0.00 0.00 55.95 59.58 1qup s SER 195 Cb -0.04 -2.63 -0.10 0.00 0.21 0.00 0.00 66.02 63.46 1qup s SER 195 CO 0.04 -0.64 1.28 -0.76 0.41 0.00 0.00 173.24 173.57 1qup s LEU 196 N -0.97 4.36 0.19 2.44 1.43 -0.33 -4.78 118.68 121.01 1qup s LEU 196 Ca 0.55 2.62 -0.05 0.00 -1.03 0.00 0.00 54.13 56.22 1qup s LEU 196 Cb -0.41 -3.74 0.11 0.00 0.03 0.00 0.00 46.19 42.18 1qup s LEU 196 CO 0.48 -0.59 1.55 0.78 0.23 0.00 0.00 176.35 178.79 1qup h ASN 197 N 3.18 0.78 -2.28 2.29 2.35 -1.92 -3.38 115.58 116.59 1qup h ASN 197 Ca -0.49 -0.35 -0.59 0.00 -0.55 0.00 0.00 56.30 54.33 1qup h ASN 197 Cb 1.23 -0.22 -0.40 0.00 0.05 0.00 0.00 38.32 38.98 1qup h ASN 197 CO 0.65 1.07 -0.81 1.41 -1.65 0.00 0.00 177.43 178.09 1qup n HIS 198 N -4.04 1.62 0.22 1.19 8.25 -1.26 -4.96 115.22 116.24 1qup n HIS 198 Ca -0.02 -3.87 0.18 0.00 -0.26 0.00 0.00 57.72 53.75 1qup n HIS 198 Cb 0.52 -0.39 0.86 0.00 1.12 0.00 0.00 29.99 32.10 1qup n HIS 198 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1qup h PRO 199 N 4.49 0.00 -0.64 -0.41 0.13 -1.89 -2.43 132.00 131.26 1qup h PRO 199 Ca 0.16 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.32 1qup h PRO 199 Cb 0.78 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.88 1qup h PRO 199 CO 0.63 0.00 0.42 0.93 -0.23 0.00 0.00 178.00 179.75 1qup h GLU 200 N 0.00 0.75 0.00 0.86 3.07 -1.92 -1.19 114.58 116.15 1qup h GLU 200 Ca 0.08 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1qup h GLU 200 Cb 0.51 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 1qup h GLU 200 CO -0.00 0.49 0.00 0.09 -1.40 0.00 0.00 179.01 178.19 1qup n ASN 201 N -4.46 0.00 -4.35 1.42 3.02 -0.91 -4.62 115.26 105.36 1qup n ASN 201 Ca 0.08 -1.13 -0.44 0.00 -0.03 0.00 0.00 54.58 53.05 1qup n ASN 201 Cb 0.12 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.22 1qup n ASN 201 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1qup s GLU 202 N -2.00 2.93 0.58 3.52 2.56 -0.45 -4.75 118.70 121.09 1qup s GLU 202 Ca 0.40 -1.48 0.28 0.00 0.00 0.00 0.00 54.97 54.17 1qup s GLU 202 Cb 0.18 -4.14 1.76 0.00 2.00 0.00 0.00 34.13 33.93 1qup s GLU 202 CO 0.31 -1.11 2.23 -1.00 -0.56 0.00 0.00 175.26 175.13 1qup h PRO 203 N 8.75 0.00 0.00 4.30 0.13 -1.84 -1.08 132.00 142.25 1qup h PRO 203 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1qup h PRO 203 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1qup h PRO 203 CO 0.91 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 179.11 1qup n SER 204 N -3.92 0.00 -1.98 1.44 7.64 -1.26 -4.85 113.62 110.69 1qup n SER 204 Ca -0.03 -0.53 -0.19 0.00 1.01 0.00 0.00 58.87 59.14 1qup n SER 204 Cb 0.10 -0.08 -0.04 0.00 -1.01 0.00 0.00 64.21 63.18 1qup n SER 204 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1qup n SER 205 N -1.08 -5.20 -4.83 6.43 3.41 -0.41 -4.96 113.62 106.98 1qup n SER 205 Ca 0.15 0.25 -0.33 0.00 -0.26 0.00 0.00 58.87 58.69 1qup n SER 205 Cb 0.11 -4.48 -0.04 0.00 -0.26 0.00 0.00 64.21 59.54 1qup n SER 205 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qup s VAL 206 N -2.77 4.36 -0.04 -3.33 1.01 -1.26 -4.99 120.40 113.38 1qup s VAL 206 Ca 0.00 1.24 0.10 0.00 0.00 0.00 0.00 61.98 63.32 1qup s VAL 206 Cb 0.00 -3.63 -0.15 0.00 0.00 0.00 0.00 36.38 32.60 1qup s VAL 206 CO 0.00 -0.54 0.17 0.29 0.00 0.00 0.00 175.10 175.02 1qup n LYS 207 N -1.34 0.97 -4.64 2.72 4.76 -1.26 -4.84 118.16 114.53 1qup n LYS 207 Ca 0.07 -0.07 -0.29 0.00 -2.87 0.00 0.00 58.31 55.16 1qup n LYS 207 Cb 0.54 -1.26 -0.14 0.00 -1.84 0.00 0.00 35.03 32.33 1qup n LYS 207 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1qup s ASP 208 N -3.55 3.06 -0.32 4.39 1.01 -1.26 -1.19 116.67 118.81 1qup s ASP 208 Ca -0.04 -0.64 -0.16 0.00 0.71 0.00 0.00 52.55 52.41 1qup s ASP 208 Cb 0.06 -0.24 -0.02 0.00 1.01 0.00 0.00 42.92 43.73 1qup s ASP 208 CO 0.43 0.20 0.41 -0.47 0.21 0.00 0.00 175.17 175.95 1qup s TYR 209 N -0.92 3.21 0.04 4.23 5.04 0.41 -4.84 117.35 124.51 1qup s TYR 209 Ca 0.11 0.16 0.02 0.00 -2.44 0.00 0.00 57.07 54.92 1qup s TYR 209 Cb -0.10 -2.71 -0.02 0.00 0.35 0.00 0.00 41.96 39.47 1qup s TYR 209 CO 0.04 -0.40 -0.06 -1.54 -1.34 0.00 0.00 175.55 172.24 1qup s SER 210 N 1.71 0.68 -0.01 4.32 1.04 -1.26 -1.77 113.70 118.42 1qup s SER 210 Ca 0.15 -0.54 0.01 0.00 0.48 0.00 0.00 55.95 56.05 1qup s SER 210 Cb -0.16 0.05 -0.00 0.00 0.10 0.00 0.00 66.02 66.01 1qup s SER 210 CO 0.12 -0.23 -0.04 0.72 0.98 0.00 0.00 173.24 174.78 1qup s PHE 211 N -1.41 0.42 0.27 5.02 -0.12 -0.60 -4.40 117.98 117.16 1qup s PHE 211 Ca -0.12 -0.08 -0.11 0.00 -0.05 0.00 0.00 56.93 56.57 1qup s PHE 211 Cb -0.10 -0.28 -0.00 0.00 -0.63 0.00 0.00 43.02 42.01 1qup s PHE 211 CO -0.00 -0.01 0.49 -0.48 -0.05 0.00 0.00 175.22 175.16 1qup s LEU 212 N -0.05 0.41 0.06 -1.99 2.34 0.57 -1.60 118.68 118.42 1qup s LEU 212 Ca 0.01 -1.03 -0.26 0.00 0.06 0.00 0.00 54.13 52.91 1qup s LEU 212 Cb -0.02 1.76 0.08 0.00 -0.56 0.00 0.00 46.19 47.45 1qup s LEU 212 CO -0.00 -1.19 0.73 -0.83 -1.06 0.00 0.00 176.35 174.00 1qup s GLY 213 N -3.05 -0.54 0.21 -3.48 0.00 -0.81 -0.99 107.32 98.66 1qup s GLY 213 Ca 0.23 0.84 -0.30 0.00 0.00 0.00 0.00 44.72 45.50 1qup s GLY 213 CO 0.11 0.36 1.12 0.14 0.00 0.00 0.00 173.10 174.83 1qup s VAL 214 N -3.10 3.67 -0.29 1.40 1.01 -1.26 -0.95 120.40 120.88 1qup s VAL 214 Ca 0.01 1.51 -0.29 0.00 0.00 0.00 0.00 61.98 63.21 1qup s VAL 214 Cb -0.01 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.42 1qup s VAL 214 CO -0.08 0.29 1.13 -0.63 0.00 0.00 0.00 175.10 175.81 1qup s ILE 215 N -0.52 4.45 0.12 2.22 1.01 0.40 -4.46 121.20 124.42 1qup s ILE 215 Ca 0.48 1.68 0.06 0.00 0.00 0.00 0.00 60.65 62.88 1qup s ILE 215 Cb -0.31 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 1qup s ILE 215 CO 0.37 -0.41 -0.00 0.00 0.00 0.00 0.00 174.94 174.91 1qup s ALA 216 N 3.70 3.25 0.37 9.38 0.00 0.45 -0.66 121.76 138.25 1qup s ALA 216 Ca 0.48 -1.21 -0.27 0.00 0.00 0.00 0.00 51.96 50.95 1qup s ALA 216 Cb -0.14 -1.11 -0.09 0.00 0.00 0.00 0.00 23.12 21.77 1qup s ALA 216 CO 0.15 0.62 1.29 1.03 0.00 0.00 0.00 175.76 178.85 1qup s ARG 217 N -2.55 4.17 0.10 0.00 0.52 -1.26 -0.96 118.95 118.97 1qup s ARG 217 Ca 0.26 2.16 0.00 0.00 -0.52 0.00 0.00 55.73 57.64 1qup s ARG 217 Cb -0.11 -2.91 -0.04 0.00 0.52 0.00 0.00 34.95 32.41 1qup s ARG 217 CO 0.18 -0.33 -0.02 0.45 0.02 0.00 0.00 175.30 175.61 1qup s SER 218 N -0.64 0.73 0.38 0.23 0.15 -0.69 -4.73 113.70 109.13 1qup s SER 218 Ca 0.53 -1.07 0.21 0.00 0.70 0.00 0.00 55.95 56.31 1qup s SER 218 Cb -0.38 0.18 0.48 0.00 -1.71 0.00 0.00 66.02 64.59 1qup s SER 218 CO 0.50 -0.59 1.64 0.00 1.20 0.00 0.00 173.24 175.99 1qup h ALA 219 N 2.97 0.88 0.00 5.45 0.00 -1.95 -3.40 119.26 123.20 1qup h ALA 219 Ca -0.35 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1qup h ALA 219 Cb 1.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1qup h ALA 219 CO 0.64 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.65 1qup n GLY 220 N 0.76 0.73 3.26 0.00 0.00 -1.26 -4.57 105.19 104.11 1qup n GLY 220 Ca 0.02 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 1qup n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qup s VAL 221 N -2.00 3.34 -0.10 1.61 1.01 -1.26 -0.77 120.40 122.24 1qup s VAL 221 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1qup s VAL 221 Cb 0.00 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.70 1qup s VAL 221 CO 0.00 0.16 -0.09 0.26 0.00 0.00 0.00 175.10 175.43 1qup s TRP 222 N 1.40 1.44 0.00 5.22 0.51 -1.26 -5.09 118.94 121.16 1qup s TRP 222 Ca 0.01 -0.66 0.00 0.00 -2.12 0.00 0.00 56.10 53.34 1qup s TRP 222 Cb -0.17 -1.16 0.00 0.00 -0.81 0.00 0.00 33.47 31.33 1qup s TRP 222 CO -0.02 -0.43 0.00 0.39 -0.51 0.00 0.00 176.95 176.38