#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wup s LEU 4 N 0.00 -1.16 -0.05 1.04 2.96 -1.26 -5.04 118.68 115.17 1wup s LEU 4 Ca 0.00 0.83 -0.21 0.00 -0.22 0.00 0.00 54.13 54.53 1wup s LEU 4 Cb 0.00 2.01 -0.10 0.00 0.50 0.00 0.00 46.19 48.60 1wup s LEU 4 CO 0.00 -0.22 0.59 -2.65 -1.32 0.00 0.00 176.35 172.76 1wup n PRO 5 N 5.42 0.00 -1.38 0.98 -0.02 -1.26 -4.87 135.00 133.88 1wup n PRO 5 Ca -0.03 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.10 1wup n PRO 5 Cb 0.51 -0.76 0.10 0.00 -0.02 0.00 0.00 33.50 33.34 1wup n PRO 5 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1wup s ASP 6 N 0.31 4.10 0.44 2.55 1.11 -1.26 -4.38 116.67 119.54 1wup s ASP 6 Ca 0.47 2.36 -0.24 0.00 0.18 0.00 0.00 52.55 55.32 1wup s ASP 6 Cb -0.66 -2.59 -0.09 0.00 1.07 0.00 0.00 42.92 40.64 1wup s ASP 6 CO 0.31 -2.33 1.16 -0.11 1.18 0.00 0.00 175.17 175.39 1wup n LEU 7 N -2.81 3.58 -4.28 1.23 7.94 -1.26 -4.85 117.00 116.54 1wup n LEU 7 Ca 0.13 1.05 -0.29 0.00 -1.11 0.00 0.00 56.01 55.80 1wup n LEU 7 Cb 0.50 -1.44 -0.15 0.00 0.53 0.00 0.00 43.42 42.85 1wup n LEU 7 CO 0.48 -1.03 -0.55 -0.54 -1.11 0.00 0.00 177.39 174.64 1wup s LYS 8 N -2.21 1.85 -0.35 1.96 1.02 -0.55 -4.96 119.74 116.50 1wup s LYS 8 Ca 0.63 -0.91 -0.00 0.00 0.02 0.00 0.00 55.97 55.71 1wup s LYS 8 Cb -0.52 -1.85 0.14 0.00 -0.52 0.00 0.00 37.83 35.08 1wup s LYS 8 CO 0.56 0.50 0.20 0.42 -0.92 0.00 0.00 175.35 176.11 1wup s ILE 9 N -0.63 0.17 -0.16 2.17 1.01 -1.26 0.25 121.20 122.74 1wup s ILE 9 Ca 0.09 -1.64 -0.06 0.00 0.00 0.00 0.00 60.65 59.05 1wup s ILE 9 Cb -0.09 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1wup s ILE 9 CO -0.00 -0.96 0.04 -1.61 0.00 0.00 0.00 174.94 172.42 1wup s GLU 10 N 1.16 3.80 0.35 2.79 2.02 -1.23 -4.95 118.70 122.63 1wup s GLU 10 Ca 0.17 -0.36 -0.28 0.00 0.02 0.00 0.00 54.97 54.51 1wup s GLU 10 Cb -0.22 -3.12 -0.10 0.00 0.10 0.00 0.00 34.13 30.78 1wup s GLU 10 CO -0.03 0.35 1.37 0.21 0.02 0.00 0.00 175.26 177.17 1wup s LYS 11 N 0.14 4.26 0.00 1.61 2.20 -1.26 -1.58 119.74 125.11 1wup s LYS 11 Ca 0.04 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 57.98 1wup s LYS 11 Cb -0.12 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 1wup s LYS 11 CO 0.01 -0.31 0.00 -0.11 -0.36 0.00 0.00 175.35 174.58 1wup n LEU 12 N 0.66 0.00 -4.71 5.43 7.94 0.28 -4.84 117.00 121.78 1wup n LEU 12 Ca 0.00 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.66 1wup n LEU 12 Cb 0.41 -0.21 -0.08 0.00 0.53 0.00 0.00 43.42 44.07 1wup n LEU 12 CO 0.61 -0.29 -0.20 -0.62 -1.11 0.00 0.00 177.39 175.77 1wup s ASP 13 N -2.66 4.37 0.00 1.96 -1.08 -0.90 -5.02 116.67 113.34 1wup s ASP 13 Ca 0.00 -1.03 0.00 0.00 -0.52 0.00 0.00 52.55 51.00 1wup s ASP 13 Cb 0.00 -0.52 0.00 0.00 -1.46 0.00 0.00 42.92 40.94 1wup s ASP 13 CO 0.00 -0.43 0.38 1.21 0.52 0.00 0.00 175.17 176.85 1wup n GLU 14 N -1.14 0.00 -0.09 4.34 2.13 -1.26 -1.48 120.64 123.14 1wup n GLU 14 Ca -0.02 0.38 -0.00 0.00 0.66 0.00 0.00 57.16 58.17 1wup n GLU 14 Cb 0.64 -0.71 0.03 0.00 0.27 0.00 0.00 31.44 31.67 1wup n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wup n GLY 15 N -0.85 1.78 3.22 8.31 0.00 -1.26 -4.83 105.19 111.55 1wup n GLY 15 Ca 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 1wup n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wup s VAL 16 N -0.95 -0.01 0.32 1.61 0.11 -0.55 0.32 120.40 121.24 1wup s VAL 16 Ca 0.05 0.05 0.09 0.00 -2.93 0.00 0.00 61.98 59.24 1wup s VAL 16 Cb 0.04 -0.50 -0.05 0.00 -1.53 0.00 0.00 36.38 34.34 1wup s VAL 16 CO 0.01 0.02 0.04 -0.31 -3.33 0.00 0.00 175.10 171.53 1wup s TYR 17 N 0.67 2.63 -0.43 1.54 1.51 -1.08 -0.55 117.35 121.63 1wup s TYR 17 Ca -0.04 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 55.69 1wup s TYR 17 Cb -0.05 -1.43 0.12 0.00 -0.11 0.00 0.00 41.96 40.48 1wup s TYR 17 CO -0.04 0.49 0.18 0.08 -1.11 0.00 0.00 175.55 175.14 1wup s VAL 18 N -2.43 2.69 0.11 0.71 1.01 -0.62 -1.12 120.40 120.76 1wup s VAL 18 Ca 0.35 -2.65 -0.30 0.00 0.00 0.00 0.00 61.98 59.37 1wup s VAL 18 Cb -0.03 -2.89 -0.06 0.00 0.00 0.00 0.00 36.38 33.40 1wup s VAL 18 CO 0.20 -0.70 1.07 -1.38 0.00 0.00 0.00 175.10 174.29 1wup s HIS 19 N 0.49 3.62 -0.23 5.22 -3.43 0.07 -3.56 115.29 117.47 1wup s HIS 19 Ca 0.13 1.60 0.01 0.00 -0.80 0.00 0.00 55.06 56.00 1wup s HIS 19 Cb -0.22 -3.23 0.05 0.00 -1.43 0.00 0.00 32.58 27.75 1wup s HIS 19 CO -0.05 -0.47 -0.09 0.99 -2.00 0.00 0.00 174.74 173.13 1wup s THR 20 N 0.27 1.72 0.19 -5.38 2.01 0.14 -0.73 115.64 113.86 1wup s THR 20 Ca 0.51 -1.23 0.07 0.00 0.31 0.00 0.00 61.69 61.35 1wup s THR 20 Cb -0.27 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 1wup s THR 20 CO 0.31 0.03 0.06 -0.94 -0.69 0.00 0.00 174.62 173.39 1wup s SER 21 N 1.33 5.06 0.01 3.53 1.04 -0.67 -1.48 113.70 122.52 1wup s SER 21 Ca -0.05 -0.32 0.08 0.00 0.48 0.00 0.00 55.95 56.14 1wup s SER 21 Cb -0.18 -1.17 -0.02 0.00 0.10 0.00 0.00 66.02 64.74 1wup s SER 21 CO -0.07 0.06 -0.24 -0.36 0.98 0.00 0.00 173.24 173.62 1wup s PHE 22 N -1.84 2.11 -0.12 5.02 0.40 -1.26 -0.33 117.98 121.96 1wup s PHE 22 Ca 0.29 -0.40 -0.04 0.00 -0.60 0.00 0.00 56.93 56.19 1wup s PHE 22 Cb -0.09 -1.32 0.06 0.00 0.51 0.00 0.00 43.02 42.18 1wup s PHE 22 CO 0.21 0.02 0.15 -2.00 0.70 0.00 0.00 175.22 174.30 1wup s GLU 23 N -0.82 0.05 -0.46 0.44 2.12 -1.19 -4.88 118.70 113.96 1wup s GLU 23 Ca 0.09 0.34 -0.28 0.00 0.36 0.00 0.00 54.97 55.49 1wup s GLU 23 Cb -0.09 -0.79 -0.08 0.00 0.26 0.00 0.00 34.13 33.43 1wup s GLU 23 CO 0.00 -0.45 2.38 -1.91 -0.54 0.00 0.00 175.26 174.75 1wup n GLU 24 N 5.31 1.15 -4.82 4.30 2.13 -1.26 -3.82 120.64 123.64 1wup n GLU 24 Ca -0.05 0.13 -0.33 0.00 0.66 0.00 0.00 57.16 57.58 1wup n GLU 24 Cb 0.50 -3.16 -0.13 0.00 0.27 0.00 0.00 31.44 28.92 1wup n GLU 24 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1wup s VAL 25 N 10.73 3.17 -0.51 6.31 0.11 -1.19 -4.99 120.40 134.03 1wup s VAL 25 Ca 1.03 -0.67 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 1wup s VAL 25 Cb -0.36 -2.27 0.00 0.00 -1.53 0.00 0.00 36.38 32.22 1wup s VAL 25 CO 0.32 0.58 0.13 0.59 -3.33 0.00 0.00 175.10 173.39 1wup n ASN 26 N 2.58 0.00 -3.10 3.54 4.13 -1.26 -4.01 115.26 117.14 1wup n ASN 26 Ca -0.17 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.09 1wup n ASN 26 Cb 0.52 -0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.76 1wup n ASN 26 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wup n GLY 27 N -0.63 -1.80 0.37 7.41 0.00 -1.26 -4.76 105.19 104.52 1wup n GLY 27 Ca 0.00 -1.14 0.07 0.00 0.00 0.00 0.00 46.02 44.95 1wup n GLY 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1wup h TRP 28 N 0.00 1.03 0.00 1.61 -0.00 -2.05 -3.47 115.95 113.07 1wup h TRP 28 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 1wup h TRP 28 Cb 0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 29.16 28.83 1wup h TRP 28 CO 0.00 0.47 0.00 0.41 -0.00 0.00 0.00 178.44 179.32 1wup n GLY 29 N -1.39 0.60 3.77 2.65 0.00 -1.26 -5.10 105.19 104.46 1wup n GLY 29 Ca 0.16 0.23 -0.40 0.00 0.00 0.00 0.00 46.02 46.01 1wup n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wup s VAL 30 N 1.57 3.02 -0.03 1.61 1.01 -1.26 -3.17 120.40 123.15 1wup s VAL 30 Ca 0.00 1.02 0.03 0.00 0.00 0.00 0.00 61.98 63.02 1wup s VAL 30 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1wup s VAL 30 CO 0.00 0.23 -0.10 0.68 0.00 0.00 0.00 175.10 175.91 1wup s VAL 31 N -1.17 0.87 -0.03 2.92 -7.23 -1.25 -4.95 120.40 109.56 1wup s VAL 31 Ca 0.48 -0.39 -0.26 0.00 -1.81 0.00 0.00 61.98 59.99 1wup s VAL 31 Cb -0.36 -0.78 -0.03 0.00 0.56 0.00 0.00 36.38 35.76 1wup s VAL 31 CO 0.48 0.27 0.83 -2.84 -0.31 0.00 0.00 175.10 173.53 1wup s PRO 32 N 0.27 4.50 -0.21 4.82 0.02 -1.26 -3.17 135.00 139.98 1wup s PRO 32 Ca -0.05 1.13 -0.03 0.00 0.02 0.00 0.00 61.00 62.07 1wup s PRO 32 Cb -0.10 -3.45 -0.01 0.00 0.02 0.00 0.00 34.50 30.96 1wup s PRO 32 CO 0.01 0.02 -0.07 0.21 -0.33 0.00 0.00 177.00 176.84 1wup s LYS 33 N 0.87 3.34 -0.04 5.54 2.36 0.56 -4.22 119.74 128.14 1wup s LYS 33 Ca 0.44 -0.65 -0.12 0.00 -2.55 0.00 0.00 55.97 53.09 1wup s LYS 33 Cb -0.19 -2.93 -0.05 0.00 -1.05 0.00 0.00 37.83 33.61 1wup s LYS 33 CO 0.23 -0.16 0.31 -1.01 1.55 0.00 0.00 175.35 176.27 1wup s HIS 34 N 1.34 3.68 0.31 4.03 3.76 0.18 -1.66 115.29 126.93 1wup s HIS 34 Ca 0.04 0.83 0.02 0.00 -0.15 0.00 0.00 55.06 55.80 1wup s HIS 34 Cb -0.14 -2.16 -0.02 0.00 1.11 0.00 0.00 32.58 31.36 1wup s HIS 34 CO -0.04 0.68 0.33 0.20 -0.85 0.00 0.00 174.74 175.06 1wup s GLY 35 N -1.06 1.80 0.12 -2.22 0.00 0.09 -4.69 107.32 101.36 1wup s GLY 35 Ca 0.21 -1.76 0.07 0.00 0.00 0.00 0.00 44.72 43.23 1wup s GLY 35 CO 0.10 -1.26 -0.16 1.08 0.00 0.00 0.00 173.10 172.87 1wup s LEU 36 N -3.27 2.38 -0.44 0.66 1.43 -1.10 -0.76 118.68 117.58 1wup s LEU 36 Ca 0.36 -0.77 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 1wup s LEU 36 Cb 0.02 -0.64 0.13 0.00 0.03 0.00 0.00 46.19 45.73 1wup s LEU 36 CO 0.21 -0.09 0.23 -0.69 0.23 0.00 0.00 176.35 176.25 1wup s VAL 37 N -1.86 1.54 0.14 -1.59 1.01 -0.27 -0.33 120.40 119.04 1wup s VAL 37 Ca 0.08 -2.58 -0.31 0.00 0.00 0.00 0.00 61.98 59.17 1wup s VAL 37 Cb -0.06 -2.08 -0.09 0.00 0.00 0.00 0.00 36.38 34.14 1wup s VAL 37 CO 0.04 -0.87 1.49 -0.69 0.00 0.00 0.00 175.10 175.07 1wup s VAL 38 N 0.35 2.90 -0.95 2.92 1.01 -0.53 -2.63 120.40 123.48 1wup s VAL 38 Ca 0.17 0.65 -0.13 0.00 0.00 0.00 0.00 61.98 62.67 1wup s VAL 38 Cb -0.24 -3.42 0.23 0.00 0.00 0.00 0.00 36.38 32.95 1wup s VAL 38 CO -0.01 0.05 0.94 -0.76 0.00 0.00 0.00 175.10 175.32 1wup s LEU 39 N 1.11 6.40 0.01 3.92 1.43 0.94 -0.02 118.68 132.49 1wup s LEU 39 Ca 0.68 -2.94 -0.30 0.00 -1.03 0.00 0.00 54.13 50.53 1wup s LEU 39 Cb -0.41 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 1wup s LEU 39 CO 0.31 -0.53 1.32 -0.69 0.23 0.00 0.00 176.35 176.99 1wup s VAL 40 N -0.01 3.84 0.00 -1.59 1.01 -0.53 -4.81 120.40 118.30 1wup s VAL 40 Ca 0.25 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.47 1wup s VAL 40 Cb -0.09 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1wup s VAL 40 CO -0.08 0.03 0.00 0.59 0.00 0.00 0.00 175.10 175.64 1wup n ASN 41 N 4.88 0.00 -0.08 3.32 3.02 -1.26 -2.10 115.26 123.05 1wup n ASN 41 Ca 0.12 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.56 1wup n ASN 41 Cb 0.44 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.56 1wup n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wup h ALA 42 N 0.00 0.08 -2.52 5.41 0.00 -1.96 -3.47 119.26 116.80 1wup h ALA 42 Ca 0.00 -0.65 -0.54 0.00 0.00 0.00 0.00 54.91 53.72 1wup h ALA 42 Cb 0.00 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1wup h ALA 42 CO 0.00 0.45 0.31 -1.21 0.00 0.00 0.00 179.25 178.80 1wup s GLU 43 N -2.18 4.58 -0.04 0.00 8.01 -0.89 -2.87 118.70 125.31 1wup s GLU 43 Ca -0.17 1.32 -0.03 0.00 0.01 0.00 0.00 54.97 56.10 1wup s GLU 43 Cb 0.02 -3.42 -0.04 0.00 -4.31 0.00 0.00 34.13 26.39 1wup s GLU 43 CO 0.35 0.09 0.11 0.00 0.01 0.00 0.00 175.26 175.81 1wup s ALA 44 N 0.54 3.70 0.19 5.21 0.00 0.17 -1.46 121.76 130.12 1wup s ALA 44 Ca 0.47 -0.79 0.10 0.00 0.00 0.00 0.00 51.96 51.74 1wup s ALA 44 Cb -0.21 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 1wup s ALA 44 CO 0.27 0.68 -0.15 0.71 0.00 0.00 0.00 175.76 177.27 1wup s TYR 45 N -1.16 2.51 -0.23 0.00 1.51 0.98 -1.76 117.35 119.21 1wup s TYR 45 Ca 0.21 -0.27 -0.04 0.00 -1.01 0.00 0.00 57.07 55.96 1wup s TYR 45 Cb -0.12 -1.22 -0.00 0.00 -0.11 0.00 0.00 41.96 40.50 1wup s TYR 45 CO 0.12 0.52 -0.05 -0.51 -1.11 0.00 0.00 175.55 174.52 1wup s LEU 46 N -2.82 2.94 -0.25 -1.29 1.43 -0.55 -1.46 118.68 116.68 1wup s LEU 46 Ca 0.24 -0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 52.74 1wup s LEU 46 Cb -0.08 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 1wup s LEU 46 CO 0.13 -0.04 0.24 -0.63 0.23 0.00 0.00 176.35 176.28 1wup s ILE 47 N 1.45 5.29 0.60 -0.59 1.09 0.55 0.20 121.20 129.80 1wup s ILE 47 Ca 0.05 0.31 0.00 0.00 -1.10 0.00 0.00 60.65 59.91 1wup s ILE 47 Cb -0.15 -3.57 0.00 0.00 -1.06 0.00 0.00 42.46 37.68 1wup s ILE 47 CO -0.04 0.27 0.00 0.47 -0.10 0.00 0.00 174.94 175.54 1wup n ASP 48 N 4.77 -8.80 -4.31 3.58 9.92 0.34 -2.73 116.55 119.32 1wup n ASP 48 Ca -0.13 1.82 -0.26 0.00 -0.53 0.00 0.00 54.79 55.70 1wup n ASP 48 Cb 0.52 -5.27 -0.13 0.00 -0.64 0.00 0.00 41.12 35.60 1wup n ASP 48 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1wup s THR 49 N -5.10 1.85 1.16 -3.53 -4.23 0.24 -4.70 115.64 101.32 1wup s THR 49 Ca 0.00 -1.54 -0.17 0.00 -1.18 0.00 0.00 61.69 58.81 1wup s THR 49 Cb 0.00 -1.65 0.19 0.00 1.34 0.00 0.00 72.50 72.37 1wup s THR 49 CO 0.00 0.03 0.38 -2.65 -0.54 0.00 0.00 174.62 171.84 1wup n PRO 50 N 1.18 -2.12 -0.10 3.99 -0.02 -1.26 -3.23 135.00 133.44 1wup n PRO 50 Ca -0.19 -0.60 0.06 0.00 -2.02 0.00 0.00 63.50 60.75 1wup n PRO 50 Cb 0.53 -1.86 0.21 0.00 -0.02 0.00 0.00 33.50 32.37 1wup n PRO 50 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1wup n PHE 51 N -4.71 0.27 -4.23 6.00 3.01 -1.24 -1.55 117.46 115.01 1wup n PHE 51 Ca 0.01 -0.14 -0.24 0.00 1.01 0.00 0.00 57.45 58.09 1wup n PHE 51 Cb 0.59 0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 39.89 1wup n PHE 51 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1wup s THR 52 N -1.73 0.94 0.32 4.37 2.01 -1.26 -4.70 115.64 115.59 1wup s THR 52 Ca 0.21 -0.31 0.07 0.00 0.31 0.00 0.00 61.69 61.97 1wup s THR 52 Cb 0.11 -0.92 0.31 0.00 0.01 0.00 0.00 72.50 72.01 1wup s THR 52 CO 0.16 0.33 1.80 0.00 -0.69 0.00 0.00 174.62 176.22 1wup h ALA 53 N 7.50 1.72 -0.07 7.40 0.00 -1.87 0.79 119.26 134.74 1wup h ALA 53 Ca -0.31 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1wup h ALA 53 Cb 1.16 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1wup h ALA 53 CO 0.44 -0.06 -0.25 -0.22 0.00 0.00 0.00 179.25 179.16 1wup h LYS 54 N 0.76 -0.25 -0.33 0.00 3.11 -1.96 0.51 116.57 118.40 1wup h LYS 54 Ca 0.55 0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 58.39 1wup h LYS 54 Cb 0.86 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.13 1wup h LYS 54 CO -0.33 -0.17 0.16 -0.44 -2.81 0.00 0.00 179.45 175.87 1wup h ASP 55 N -0.26 0.44 -0.87 4.20 3.45 -1.57 -2.15 116.42 119.65 1wup h ASP 55 Ca 0.02 -0.12 0.23 0.00 0.43 0.00 0.00 57.03 57.58 1wup h ASP 55 Cb 0.31 -0.11 -0.15 0.00 -0.56 0.00 0.00 39.33 38.82 1wup h ASP 55 CO -0.20 0.43 0.10 0.74 -1.57 0.00 0.00 179.24 178.74 1wup h THR 56 N 0.41 0.23 -0.28 0.35 2.02 0.12 1.16 112.91 116.92 1wup h THR 56 Ca 0.12 -0.04 -0.18 0.00 0.77 0.00 0.00 66.41 67.08 1wup h THR 56 Cb 0.11 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1wup h THR 56 CO -0.02 0.02 -0.53 -0.08 0.37 0.00 0.00 175.52 175.29 1wup h GLU 57 N 0.11 0.83 -0.77 6.66 4.22 0.25 0.14 114.58 126.02 1wup h GLU 57 Ca 0.52 -0.51 -0.03 0.00 0.08 0.00 0.00 59.36 59.42 1wup h GLU 57 Cb 1.03 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 1wup h GLU 57 CO -0.74 1.15 0.38 0.87 -2.18 0.00 0.00 179.01 178.48 1wup h LYS 58 N 0.64 1.10 0.71 1.92 1.57 0.80 0.94 116.57 124.26 1wup h LYS 58 Ca 0.02 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1wup h LYS 58 Cb 1.12 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 33.24 1wup h LYS 58 CO 0.12 0.84 -0.34 1.25 -0.57 0.00 0.00 179.45 180.75 1wup h LEU 59 N 1.10 -0.81 0.14 2.94 5.85 0.13 -1.36 115.31 123.29 1wup h LEU 59 Ca 0.27 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 1wup h LEU 59 Cb 0.10 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1wup h LEU 59 CO -0.04 -0.53 -0.17 0.58 -0.34 0.00 0.00 178.44 177.94 1wup h VAL 60 N -1.04 0.00 0.00 1.05 2.07 -0.07 -2.15 116.25 116.11 1wup h VAL 60 Ca -0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1wup h VAL 60 Cb 0.75 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1wup h VAL 60 CO 0.16 0.00 0.02 0.35 0.02 0.00 0.00 177.57 178.12 1wup n THR 61 N -3.37 1.59 -0.06 2.57 -2.24 0.32 -0.51 114.28 112.58 1wup n THR 61 Ca -0.04 0.42 -0.14 0.00 -2.27 0.00 0.00 64.05 62.02 1wup n THR 61 Cb 0.15 -1.42 -0.13 0.00 -2.10 0.00 0.00 70.33 66.84 1wup n THR 61 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1wup h TRP 62 N 0.00 0.03 0.00 4.78 7.01 -0.59 -3.17 115.95 124.00 1wup h TRP 62 Ca 0.00 -0.02 -0.11 0.00 2.11 0.00 0.00 58.89 60.87 1wup h TRP 62 Cb 0.04 -0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.08 1wup h TRP 62 CO 0.00 0.95 -0.52 0.74 -2.79 0.00 0.00 178.44 176.82 1wup h PHE 63 N -0.90 0.00 0.00 2.65 -1.00 -0.44 -2.44 116.94 114.80 1wup h PHE 63 Ca -0.01 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.69 1wup h PHE 63 Cb 0.96 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.51 1wup h PHE 63 CO 0.25 0.52 -0.39 0.28 -1.61 0.00 0.00 178.31 177.36 1wup h VAL 64 N 0.00 1.27 0.02 -0.55 2.07 -0.87 -1.67 116.25 116.52 1wup h VAL 64 Ca -0.01 -1.33 -0.22 0.00 0.82 0.00 0.00 66.70 65.97 1wup h VAL 64 Cb 0.99 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1wup h VAL 64 CO 0.07 0.38 -1.02 -0.33 0.02 0.00 0.00 177.57 176.69 1wup h GLU 65 N 0.00 0.05 0.00 1.57 5.08 -1.48 -2.37 114.58 117.43 1wup h GLU 65 Ca -0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1wup h GLU 65 Cb 0.69 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1wup h GLU 65 CO 0.05 1.02 0.00 0.54 -1.00 0.00 0.00 179.01 179.62 1wup n ARG 66 N -3.40 0.50 0.00 2.33 5.12 -0.94 -4.82 116.66 115.45 1wup n ARG 66 Ca -0.01 0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1wup n ARG 66 Cb 0.94 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.74 1wup n ARG 66 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wup n GLY 67 N 0.15 3.11 3.67 -0.13 0.00 -0.89 -5.03 105.19 106.06 1wup n GLY 67 Ca 0.12 -0.90 -0.48 0.00 0.00 0.00 0.00 46.02 44.77 1wup n GLY 67 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wup n TYR 68 N 0.00 2.31 -2.83 1.61 4.01 -0.67 -4.82 117.16 116.77 1wup n TYR 68 Ca 0.00 -0.02 -0.34 0.00 -0.16 0.00 0.00 57.90 57.37 1wup n TYR 68 Cb 0.00 -2.67 -0.07 0.00 -0.31 0.00 0.00 39.34 36.29 1wup n TYR 68 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1wup s LYS 69 N 4.27 4.33 -0.64 -0.72 -2.85 -1.14 -2.83 119.74 120.17 1wup s LYS 69 Ca 0.94 1.16 -0.22 0.00 -1.00 0.00 0.00 55.97 56.84 1wup s LYS 69 Cb -0.67 -2.39 0.07 0.00 -2.06 0.00 0.00 37.83 32.78 1wup s LYS 69 CO 0.51 0.08 0.91 0.42 0.10 0.00 0.00 175.35 177.37 1wup s ILE 70 N -1.99 4.42 0.10 3.79 -1.09 -1.26 0.45 121.20 125.61 1wup s ILE 70 Ca 0.58 -0.41 -0.13 0.00 -2.23 0.00 0.00 60.65 58.46 1wup s ILE 70 Cb -0.12 -4.63 -0.17 0.00 -1.58 0.00 0.00 42.46 35.96 1wup s ILE 70 CO 0.17 -1.37 1.29 0.50 -1.23 0.00 0.00 174.94 174.30 1wup h LYS 71 N 9.48 0.79 0.00 2.79 3.11 -1.66 -3.45 116.57 127.62 1wup h LYS 71 Ca -0.29 -0.67 0.05 0.00 -2.81 0.00 0.00 60.65 56.94 1wup h LYS 71 Cb 1.07 0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 32.44 1wup h LYS 71 CO 1.16 1.27 0.26 0.41 -2.81 0.00 0.00 179.45 179.74 1wup n GLY 72 N 0.75 1.10 3.33 5.01 0.00 -1.25 -3.64 105.19 110.49 1wup n GLY 72 Ca -0.08 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 1wup n GLY 72 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wup s SER 73 N -2.26 -0.52 -0.09 1.61 1.04 -0.87 -1.48 113.70 111.13 1wup s SER 73 Ca 0.11 1.02 0.03 0.00 0.48 0.00 0.00 55.95 57.59 1wup s SER 73 Cb -0.02 1.06 -0.01 0.00 0.10 0.00 0.00 66.02 67.15 1wup s SER 73 CO 0.04 -0.21 -0.18 -0.51 0.98 0.00 0.00 173.24 173.36 1wup s ILE 74 N 1.83 2.63 -0.26 -1.02 -1.16 0.54 0.95 121.20 124.71 1wup s ILE 74 Ca -0.07 -0.84 -0.09 0.00 -0.51 0.00 0.00 60.65 59.14 1wup s ILE 74 Cb -0.09 -2.04 -0.03 0.00 0.61 0.00 0.00 42.46 40.91 1wup s ILE 74 CO -0.14 0.56 0.11 -0.44 -2.81 0.00 0.00 174.94 172.22 1wup s SER 75 N -0.04 5.42 0.32 4.50 0.01 0.28 0.13 113.70 124.31 1wup s SER 75 Ca -0.05 -0.16 0.05 0.00 1.31 0.00 0.00 55.95 57.10 1wup s SER 75 Cb -0.14 -1.99 0.69 0.00 0.21 0.00 0.00 66.02 64.79 1wup s SER 75 CO 0.04 -0.05 1.85 0.77 0.41 0.00 0.00 173.24 176.27 1wup h SER 76 N 8.28 0.79 -5.29 2.44 4.64 -1.90 -3.41 113.55 119.10 1wup h SER 76 Ca -0.37 0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 60.84 1wup h SER 76 Cb 1.18 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 63.12 1wup h SER 76 CO 0.57 0.40 0.02 -1.38 -0.87 0.00 0.00 176.83 175.58 1wup s HIS 77 N -5.82 0.64 -0.79 4.77 -3.43 -1.26 -0.93 115.29 108.47 1wup s HIS 77 Ca -0.11 -1.07 0.24 0.00 -0.80 0.00 0.00 55.06 53.32 1wup s HIS 77 Cb 0.22 0.34 0.93 0.00 -1.43 0.00 0.00 32.58 32.64 1wup s HIS 77 CO 0.80 -1.34 1.74 1.97 -2.00 0.00 0.00 174.74 175.91 1wup n PHE 78 N -0.55 0.50 -1.45 0.38 -1.74 -1.26 -4.10 117.46 109.23 1wup n PHE 78 Ca -0.03 0.16 -0.36 0.00 -0.56 0.00 0.00 57.45 56.67 1wup n PHE 78 Cb 0.61 -0.77 0.09 0.00 1.52 0.00 0.00 39.48 40.93 1wup n PHE 78 CO 0.00 0.00 0.00 0.72 -0.56 0.00 0.00 176.76 176.92 1wup n HIS 79 N -1.93 1.57 -0.19 2.97 8.25 -1.26 -4.50 115.22 120.13 1wup n HIS 79 Ca 0.05 0.41 0.11 0.00 -0.26 0.00 0.00 57.72 58.03 1wup n HIS 79 Cb 0.31 -2.19 0.42 0.00 1.12 0.00 0.00 29.99 29.65 1wup n HIS 79 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1wup h SER 80 N -0.10 0.55 -1.64 0.41 0.02 -1.91 0.21 113.55 111.10 1wup h SER 80 Ca -0.49 0.02 0.51 0.00 -0.84 0.00 0.00 61.79 60.99 1wup h SER 80 Cb 1.32 -0.10 -0.11 0.00 0.14 0.00 0.00 62.40 63.66 1wup h SER 80 CO 0.50 0.32 1.12 -0.33 -1.14 0.00 0.00 176.83 177.30 1wup h GLU 81 N 0.61 0.02 0.00 3.45 5.08 -1.88 0.99 114.58 122.84 1wup h GLU 81 Ca 0.36 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1wup h GLU 81 Cb 0.56 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1wup h GLU 81 CO -0.13 0.01 -0.92 0.43 -1.00 0.00 0.00 179.01 177.40 1wup n SER 82 N -4.35 2.06 -0.16 1.42 7.64 -0.33 -4.25 113.62 115.65 1wup n SER 82 Ca 0.41 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.44 1wup n SER 82 Cb 1.74 0.00 0.77 0.00 -1.01 0.00 0.00 64.21 65.71 1wup n SER 82 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wup n THR 83 N -2.66 0.00 -0.22 0.44 -2.24 0.59 0.81 114.28 111.00 1wup n THR 83 Ca 0.00 -0.09 0.02 0.00 -2.27 0.00 0.00 64.05 61.72 1wup n THR 83 Cb 0.46 -0.14 0.14 0.00 -2.10 0.00 0.00 70.33 68.69 1wup n THR 83 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1wup h GLY 84 N 4.95 0.92 -1.66 3.38 0.00 -0.82 -2.29 103.07 107.54 1wup h GLY 84 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1wup h GLY 84 CO 0.00 -0.10 0.00 0.61 0.00 0.00 0.00 176.54 177.05 1wup n GLY 85 N -1.32 1.14 0.40 4.60 0.00 -0.59 -4.26 105.19 105.15 1wup n GLY 85 Ca 0.11 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 1wup n GLY 85 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wup h ILE 86 N 2.50 0.00 -0.69 -0.61 2.04 -1.69 -1.35 117.51 117.71 1wup h ILE 86 Ca 0.00 -0.14 0.08 0.00 1.00 0.00 0.00 64.86 65.80 1wup h ILE 86 Cb 0.65 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.63 1wup h ILE 86 CO 0.03 0.00 -0.37 1.21 0.00 0.00 0.00 178.15 179.02 1wup n GLU 87 N -5.08 -0.26 0.43 2.37 2.13 -1.26 -0.13 120.64 118.85 1wup n GLU 87 Ca -0.12 1.05 -0.19 0.00 0.66 0.00 0.00 57.16 58.55 1wup n GLU 87 Cb 0.40 -1.55 -0.10 0.00 0.27 0.00 0.00 31.44 30.46 1wup n GLU 87 CO 0.00 0.00 0.00 2.35 -0.41 0.00 0.00 177.13 179.07 1wup h TRP 88 N 0.00 -1.18 -0.87 4.31 7.01 -1.80 -2.75 115.95 120.66 1wup h TRP 88 Ca 0.15 -0.02 0.23 0.00 2.11 0.00 0.00 58.89 61.36 1wup h TRP 88 Cb 0.32 0.41 -0.15 0.00 -2.10 0.00 0.00 29.16 27.65 1wup h TRP 88 CO -0.68 -0.69 0.12 -0.07 -2.79 0.00 0.00 178.44 174.33 1wup h LEU 89 N -1.15 -0.22 -1.83 0.65 3.38 0.66 0.56 115.31 117.35 1wup h LEU 89 Ca -0.10 0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1wup h LEU 89 Cb 0.91 0.35 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1wup h LEU 89 CO 0.13 -0.21 0.21 0.78 0.09 0.00 0.00 178.44 179.43 1wup h ASN 90 N 0.12 0.18 1.06 -0.43 -0.26 -0.31 0.35 115.58 116.31 1wup h ASN 90 Ca 0.52 -0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 56.18 1wup h ASN 90 Cb 1.03 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 38.24 1wup h ASN 90 CO -0.73 0.12 -0.38 0.77 -1.06 0.00 0.00 177.43 176.16 1wup h SER 91 N 0.21 0.00 0.81 5.81 4.64 0.31 -1.68 113.55 123.66 1wup h SER 91 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1wup h SER 91 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1wup h SER 91 CO -0.02 0.38 -0.13 0.54 -0.87 0.00 0.00 176.83 176.73 1wup n ARG 92 N -3.40 0.07 -2.22 4.77 5.12 0.10 -4.90 116.66 116.19 1wup n ARG 92 Ca 0.01 -0.01 -0.15 0.00 -1.93 0.00 0.00 57.85 55.77 1wup n ARG 92 Cb 0.56 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.35 1wup n ARG 92 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1wup n SER 93 N -1.45 -4.46 -4.66 0.55 7.64 0.07 -4.98 113.62 106.33 1wup n SER 93 Ca 0.07 0.01 -0.41 0.00 1.01 0.00 0.00 58.87 59.56 1wup n SER 93 Cb 0.33 -3.59 -0.05 0.00 -1.01 0.00 0.00 64.21 59.89 1wup n SER 93 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wup s ILE 94 N -2.72 4.97 0.19 0.44 1.01 -0.70 -5.00 121.20 119.39 1wup s ILE 94 Ca 0.00 1.34 -0.33 0.00 0.00 0.00 0.00 60.65 61.66 1wup s ILE 94 Cb 0.00 -4.01 -0.15 0.00 0.01 0.00 0.00 42.46 38.31 1wup s ILE 94 CO 0.00 0.07 1.33 -2.65 0.00 0.00 0.00 174.94 173.70 1wup n PRO 95 N 5.17 1.65 -5.16 2.79 -0.02 -1.24 -4.39 135.00 133.81 1wup n PRO 95 Ca 0.01 0.59 -0.30 0.00 -2.02 0.00 0.00 63.50 61.78 1wup n PRO 95 Cb 0.49 -2.20 -0.16 0.00 -0.02 0.00 0.00 33.50 31.61 1wup n PRO 95 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1wup s THR 96 N 0.06 1.89 -0.07 3.45 -4.23 -1.26 -2.05 115.64 113.43 1wup s THR 96 Ca 0.73 -0.98 0.04 0.00 -1.18 0.00 0.00 61.69 60.30 1wup s THR 96 Cb -0.75 -1.61 -0.01 0.00 1.34 0.00 0.00 72.50 71.47 1wup s THR 96 CO 0.49 0.53 -0.20 -0.31 -0.54 0.00 0.00 174.62 174.59 1wup s TYR 97 N -0.11 2.58 -0.11 3.99 1.51 0.27 -1.38 117.35 124.11 1wup s TYR 97 Ca -0.04 -0.60 -0.10 0.00 -1.01 0.00 0.00 57.07 55.33 1wup s TYR 97 Cb -0.13 -1.66 0.03 0.00 -0.11 0.00 0.00 41.96 40.08 1wup s TYR 97 CO 0.03 -0.14 0.28 0.00 -1.11 0.00 0.00 175.55 174.62 1wup s ALA 98 N -0.15 -0.69 0.65 3.71 0.00 -0.89 -0.56 121.76 123.82 1wup s ALA 98 Ca -0.03 0.79 -0.17 0.00 0.00 0.00 0.00 51.96 52.55 1wup s ALA 98 Cb -0.14 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 1wup s ALA 98 CO 0.04 -0.13 1.02 -1.13 0.00 0.00 0.00 175.76 175.56 1wup n SER 99 N 2.93 0.91 -0.16 0.00 3.41 -1.26 -3.70 113.62 115.74 1wup n SER 99 Ca -0.13 0.76 0.29 0.00 -0.26 0.00 0.00 58.87 59.54 1wup n SER 99 Cb 0.58 -1.42 0.67 0.00 -0.26 0.00 0.00 64.21 63.78 1wup n SER 99 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1wup h GLU 100 N 0.26 0.00 0.10 4.33 4.81 0.19 -2.22 114.58 122.04 1wup h GLU 100 Ca -0.49 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1wup h GLU 100 Cb 1.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.73 1wup h GLU 100 CO 0.50 0.00 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.66 1wup h LEU 101 N 0.00 -0.11 -1.97 1.64 3.38 -1.85 -2.41 115.31 113.99 1wup h LEU 101 Ca 0.43 0.00 0.36 0.00 0.09 0.00 0.00 57.88 58.77 1wup h LEU 101 Cb 2.09 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 42.82 1wup h LEU 101 CO -0.00 0.35 0.92 0.71 0.09 0.00 0.00 178.44 180.51 1wup h THR 102 N -0.98 0.34 -0.00 0.22 1.35 -1.67 0.85 112.91 113.02 1wup h THR 102 Ca -0.01 0.00 -0.22 0.00 -0.55 0.00 0.00 66.41 65.63 1wup h THR 102 Cb 0.10 0.35 0.02 0.00 -1.73 0.00 0.00 68.15 66.89 1wup h THR 102 CO 0.02 0.00 -0.84 0.78 -0.25 0.00 0.00 175.52 175.23 1wup h ASN 103 N 0.00 0.74 0.36 5.36 2.35 -1.53 -0.06 115.58 122.81 1wup h ASN 103 Ca 0.59 -0.75 -0.03 0.00 -0.55 0.00 0.00 56.30 55.57 1wup h ASN 103 Cb 2.43 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 40.57 1wup h ASN 103 CO -0.01 1.39 -0.15 -0.08 -1.65 0.00 0.00 177.43 176.94 1wup h GLU 104 N 0.17 0.00 0.07 0.81 4.22 0.11 0.47 114.58 120.42 1wup h GLU 104 Ca -0.11 0.00 -0.24 0.00 0.08 0.00 0.00 59.36 59.09 1wup h GLU 104 Cb 1.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 1wup h GLU 104 CO 0.17 0.15 -1.11 -0.07 -2.18 0.00 0.00 179.01 175.96 1wup h LEU 105 N 0.00 0.26 0.05 1.64 3.38 -0.32 -1.19 115.31 119.14 1wup h LEU 105 Ca -0.00 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1wup h LEU 105 Cb 0.37 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1wup h LEU 105 CO 0.02 1.19 -0.03 -0.07 0.09 0.00 0.00 178.44 179.64 1wup h LEU 106 N 0.06 -0.06 -1.37 1.67 3.38 -0.40 -3.23 115.31 115.36 1wup h LEU 106 Ca -0.08 -0.58 0.19 0.00 0.09 0.00 0.00 57.88 57.50 1wup h LEU 106 Cb 1.84 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 42.53 1wup h LEU 106 CO 0.17 0.65 0.60 0.50 0.09 0.00 0.00 178.44 180.45 1wup h LYS 107 N -0.88 0.52 -2.10 1.13 3.64 -0.17 0.59 116.57 119.30 1wup h LYS 107 Ca -0.01 -0.03 -0.62 0.00 -1.27 0.00 0.00 60.65 58.72 1wup h LYS 107 Cb 0.64 -0.12 -0.20 0.00 -0.41 0.00 0.00 32.23 32.14 1wup h LYS 107 CO 0.01 0.35 0.88 1.17 -2.27 0.00 0.00 179.45 179.59 1wup n LYS 108 N -4.57 3.00 0.00 1.90 3.00 -0.45 -3.60 118.16 117.44 1wup n LYS 108 Ca 0.20 -2.94 0.00 0.00 -0.00 0.00 0.00 58.31 55.57 1wup n LYS 108 Cb 0.63 -2.26 0.00 0.00 0.00 0.00 0.00 35.03 33.39 1wup n LYS 108 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1wup n ASP 109 N 0.60 0.00 -0.90 3.14 2.03 0.16 -4.88 116.55 116.70 1wup n ASP 109 Ca 0.52 -0.50 -0.08 0.00 0.52 0.00 0.00 54.79 55.25 1wup n ASP 109 Cb 0.41 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.81 1wup n ASP 109 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wup n GLY 110 N 0.00 0.12 3.46 0.27 0.00 -1.05 -5.03 105.19 102.96 1wup n GLY 110 Ca 0.00 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 1wup n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wup s LYS 111 N -4.25 2.49 0.20 1.61 -0.14 -0.97 -5.05 119.74 113.63 1wup s LYS 111 Ca 0.00 -0.72 -0.32 0.00 -1.36 0.00 0.00 55.97 53.57 1wup s LYS 111 Cb 0.00 -2.36 -0.12 0.00 -1.68 0.00 0.00 37.83 33.67 1wup s LYS 111 CO 0.00 0.61 1.69 0.28 -0.76 0.00 0.00 175.35 177.17 1wup n VAL 112 N 2.36 0.05 -2.71 3.17 0.31 -1.26 -3.96 118.33 116.28 1wup n VAL 112 Ca -0.17 -0.01 -0.26 0.00 -0.01 0.00 0.00 64.34 63.88 1wup n VAL 112 Cb 0.52 -1.91 0.01 0.00 -0.91 0.00 0.00 33.84 31.55 1wup n VAL 112 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1wup s GLN 113 N 1.04 3.36 0.25 5.55 -0.21 -1.26 -4.66 119.66 123.73 1wup s GLN 113 Ca 0.75 0.02 -0.30 0.00 0.02 0.00 0.00 55.36 55.86 1wup s GLN 113 Cb -0.53 -2.41 -0.09 0.00 1.00 0.00 0.00 33.01 30.98 1wup s GLN 113 CO 0.34 -0.27 1.19 0.00 -2.12 0.00 0.00 175.29 174.43 1wup s ALA 114 N -2.72 3.45 -2.00 6.09 0.00 -1.26 -4.90 121.76 120.41 1wup s ALA 114 Ca 0.48 1.00 0.01 0.00 0.00 0.00 0.00 51.96 53.45 1wup s ALA 114 Cb -0.10 -3.40 0.08 0.00 0.00 0.00 0.00 23.12 19.69 1wup s ALA 114 CO 0.43 -0.36 0.40 0.25 0.00 0.00 0.00 175.76 176.48 1wup n THR 115 N 1.76 0.00 -3.69 0.00 -2.24 -1.09 -4.64 114.28 104.38 1wup n THR 115 Ca 0.02 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.68 1wup n THR 115 Cb 0.44 -0.41 -0.09 0.00 -2.10 0.00 0.00 70.33 68.16 1wup n THR 115 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1wup s ASN 116 N -1.74 -0.57 0.31 3.42 0.01 -0.48 -4.83 114.94 111.06 1wup s ASN 116 Ca 0.02 1.03 0.02 0.00 -0.71 0.00 0.00 52.86 53.22 1wup s ASN 116 Cb 0.01 0.98 0.02 0.00 0.41 0.00 0.00 41.25 42.67 1wup s ASN 116 CO 0.01 -0.19 0.18 -1.20 -1.51 0.00 0.00 177.10 174.39 1wup n SER 117 N 3.50 2.20 0.00 -1.22 7.64 -1.26 -2.10 113.62 122.38 1wup n SER 117 Ca -0.18 -2.13 0.00 0.00 1.01 0.00 0.00 58.87 57.58 1wup n SER 117 Cb 0.56 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1wup n SER 117 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1wup n PHE 118 N -1.11 0.00 -2.69 1.43 1.16 -1.24 -4.87 117.46 110.14 1wup n PHE 118 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.54 1wup n PHE 118 Cb 0.36 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.23 1wup n PHE 118 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 1wup n SER 119 N 0.00 0.00 0.00 5.98 3.41 -1.26 0.91 113.62 122.66 1wup n SER 119 Ca 0.00 -0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 1wup n SER 119 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1wup n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wup n GLY 120 N 0.00 -1.91 0.29 5.00 0.00 -1.26 -4.59 105.19 102.73 1wup n GLY 120 Ca 0.00 -1.44 0.06 0.00 0.00 0.00 0.00 46.02 44.64 1wup n GLY 120 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1wup h VAL 121 N 0.00 0.26 -3.92 1.61 3.04 -1.95 -3.42 116.25 111.88 1wup h VAL 121 Ca 0.00 -0.02 -0.58 0.00 -1.01 0.00 0.00 66.70 65.08 1wup h VAL 121 Cb 0.00 0.19 -0.22 0.00 -2.01 0.00 0.00 31.29 29.25 1wup h VAL 121 CO 0.00 0.01 -0.83 0.54 -1.01 0.00 0.00 177.57 176.28 1wup s ASN 122 N -5.18 2.69 -0.11 3.17 2.20 -1.26 0.25 114.94 116.71 1wup s ASN 122 Ca -0.14 -0.70 -0.13 0.00 -0.94 0.00 0.00 52.86 50.95 1wup s ASN 122 Cb 0.23 -0.15 0.03 0.00 -2.00 0.00 0.00 41.25 39.36 1wup s ASN 122 CO 0.76 0.08 0.35 -0.47 -2.94 0.00 0.00 177.10 174.88 1wup s TYR 123 N -1.15 -0.35 -0.33 1.54 6.14 0.05 -4.91 117.35 118.33 1wup s TYR 123 Ca 0.08 0.83 -0.12 0.00 0.64 0.00 0.00 57.07 58.50 1wup s TYR 123 Cb -0.10 0.13 -0.01 0.00 0.42 0.00 0.00 41.96 42.40 1wup s TYR 123 CO 0.05 -0.23 0.21 -1.58 0.64 0.00 0.00 175.55 174.63 1wup s TRP 124 N -0.11 3.21 0.24 4.97 0.52 -1.26 0.78 118.94 127.28 1wup s TRP 124 Ca -0.03 -0.42 0.07 0.00 0.02 0.00 0.00 56.10 55.74 1wup s TRP 124 Cb -0.03 -2.43 0.25 0.00 -1.15 0.00 0.00 33.47 30.11 1wup s TRP 124 CO 0.01 -0.43 1.55 1.25 0.02 0.00 0.00 176.95 179.36 1wup h LEU 125 N 8.44 0.14 -8.82 2.99 5.85 -1.08 -3.45 115.31 119.38 1wup h LEU 125 Ca -0.31 -0.09 -0.33 0.00 0.84 0.00 0.00 57.88 57.99 1wup h LEU 125 Cb 1.15 -0.04 -0.15 0.00 0.37 0.00 0.00 40.66 41.99 1wup h LEU 125 CO 0.63 0.75 -0.63 -0.69 -0.34 0.00 0.00 178.44 178.17 1wup s VAL 126 N -3.59 0.57 0.06 1.05 1.01 -1.05 -4.99 120.40 113.45 1wup s VAL 126 Ca -0.02 -2.00 -0.17 0.00 0.00 0.00 0.00 61.98 59.79 1wup s VAL 126 Cb 0.12 -2.51 -0.06 0.00 0.00 0.00 0.00 36.38 33.93 1wup s VAL 126 CO 0.79 -0.11 1.28 0.50 0.00 0.00 0.00 175.10 177.55 1wup h LYS 127 N 2.47 -0.27 -0.08 2.72 3.11 -1.88 -3.39 116.57 119.25 1wup h LYS 127 Ca -0.38 0.02 -0.18 0.00 -2.81 0.00 0.00 60.65 57.30 1wup h LYS 127 Cb 1.24 0.06 -0.32 0.00 -1.00 0.00 0.00 32.23 32.21 1wup h LYS 127 CO 0.61 -0.18 -0.83 0.09 -2.81 0.00 0.00 179.45 176.32 1wup n ASN 128 N -4.01 0.48 0.00 4.20 3.02 -1.26 -4.90 115.26 112.80 1wup n ASN 128 Ca -0.03 -2.02 0.00 0.00 -0.03 0.00 0.00 54.58 52.50 1wup n ASN 128 Cb 0.19 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 1wup n ASN 128 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1wup n LYS 129 N 0.05 2.63 -3.67 3.52 5.02 -1.26 -4.54 118.16 119.90 1wup n LYS 129 Ca -0.03 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.96 1wup n LYS 129 Cb 0.97 -0.83 -0.14 0.00 -0.02 0.00 0.00 35.03 35.01 1wup n LYS 129 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1wup s ILE 130 N -1.65 0.74 -0.11 -0.18 1.01 -1.26 -3.89 121.20 115.85 1wup s ILE 130 Ca 0.00 -1.55 -0.01 0.00 0.00 0.00 0.00 60.65 59.09 1wup s ILE 130 Cb 0.00 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 1wup s ILE 130 CO 0.00 -0.76 -0.07 -0.70 0.00 0.00 0.00 174.94 173.41 1wup s GLU 131 N 1.39 3.23 -0.15 2.79 2.12 -1.03 -0.38 118.70 126.68 1wup s GLU 131 Ca 0.12 -0.57 -0.15 0.00 0.36 0.00 0.00 54.97 54.73 1wup s GLU 131 Cb -0.19 -2.72 -0.04 0.00 0.26 0.00 0.00 34.13 31.43 1wup s GLU 131 CO -0.19 0.41 0.36 0.08 -0.54 0.00 0.00 175.26 175.38 1wup s VAL 132 N -0.12 5.27 -0.05 3.70 1.01 0.23 -1.67 120.40 128.77 1wup s VAL 132 Ca 0.01 0.69 0.06 0.00 0.00 0.00 0.00 61.98 62.74 1wup s VAL 132 Cb -0.13 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 1wup s VAL 132 CO 0.03 0.36 -0.22 0.12 0.00 0.00 0.00 175.10 175.39 1wup s PHE 133 N 0.54 2.48 -0.48 5.22 5.36 0.11 -0.77 117.98 130.44 1wup s PHE 133 Ca 0.20 -0.49 -0.10 0.00 -0.96 0.00 0.00 56.93 55.58 1wup s PHE 133 Cb -0.14 -1.59 0.12 0.00 -0.34 0.00 0.00 43.02 41.08 1wup s PHE 133 CO 0.06 -0.06 0.37 -0.47 -1.46 0.00 0.00 175.22 173.66 1wup s TYR 134 N -0.42 3.39 0.15 10.12 5.04 0.71 -0.33 117.35 136.01 1wup s TYR 134 Ca 0.04 -1.76 0.34 0.00 -2.44 0.00 0.00 57.07 53.26 1wup s TYR 134 Cb -0.12 -3.52 1.45 0.00 0.35 0.00 0.00 41.96 40.12 1wup s TYR 134 CO 0.01 -0.99 2.02 -1.35 -1.34 0.00 0.00 175.55 173.90 1wup h PRO 135 N 8.52 0.00 0.00 4.97 0.11 -1.84 -3.45 132.00 140.31 1wup h PRO 135 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1wup h PRO 135 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1wup h PRO 135 CO 0.89 0.01 0.00 0.41 -0.21 0.00 0.00 178.00 179.09 1wup n GLY 136 N -0.06 1.36 2.89 -0.55 0.00 -1.26 -4.39 105.19 103.17 1wup n GLY 136 Ca 0.00 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 1wup n GLY 136 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wup n PRO 137 N 1.18 0.00 0.00 1.61 -0.02 -1.26 -4.81 135.00 131.70 1wup n PRO 137 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1wup n PRO 137 Cb 0.00 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 1wup n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wup n GLY 138 N 1.56 -0.27 0.24 -1.23 0.00 -1.26 -3.31 105.19 100.91 1wup n GLY 138 Ca 0.16 0.51 -0.15 0.00 0.00 0.00 0.00 46.02 46.54 1wup n GLY 138 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1wup h HIS 139 N 0.00 1.03 -3.42 1.61 -0.00 -1.84 -2.71 115.15 109.82 1wup h HIS 139 Ca 0.00 -0.39 -0.34 0.00 -0.00 0.00 0.00 60.37 59.64 1wup h HIS 139 Cb 0.00 -0.18 -0.15 0.00 -0.00 0.00 0.00 27.41 27.07 1wup h HIS 139 CO 0.00 1.21 -0.72 0.99 -0.00 0.00 0.00 177.93 179.41 1wup s THR 140 N -4.01 1.19 -1.14 6.26 2.01 -1.17 -3.21 115.64 115.57 1wup s THR 140 Ca -0.10 -1.98 0.23 0.00 0.31 0.00 0.00 61.69 60.16 1wup s THR 140 Cb 0.10 -1.76 0.27 0.00 0.01 0.00 0.00 72.50 71.11 1wup s THR 140 CO 0.89 -0.68 1.76 -2.65 -0.69 0.00 0.00 174.62 173.25 1wup n PRO 141 N -0.03 0.11 0.00 4.92 -0.02 -1.23 -3.02 135.00 135.74 1wup n PRO 141 Ca -0.11 0.09 0.03 0.00 -2.02 0.00 0.00 63.50 61.49 1wup n PRO 141 Cb 0.60 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.57 1wup n PRO 141 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1wup n ASP 142 N -1.43 0.91 -4.62 2.55 3.85 -1.26 -4.25 116.55 112.30 1wup n ASP 142 Ca 0.07 -0.95 -0.49 0.00 -0.71 0.00 0.00 54.79 52.71 1wup n ASP 142 Cb 0.25 0.54 -0.05 0.00 -1.35 0.00 0.00 41.12 40.51 1wup n ASP 142 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 1wup n ASN 143 N -0.43 2.06 -4.42 -1.12 2.04 -1.17 -4.62 115.26 107.60 1wup n ASN 143 Ca 0.03 1.12 -0.21 0.00 -0.44 0.00 0.00 54.58 55.08 1wup n ASN 143 Cb 0.14 -1.29 -0.10 0.00 -2.53 0.00 0.00 39.78 36.00 1wup n ASN 143 CO 0.00 0.00 0.00 0.68 -0.44 0.00 0.00 177.26 177.50 1wup s VAL 144 N 0.32 1.48 0.30 3.53 -7.23 -0.10 -4.42 120.40 114.27 1wup s VAL 144 Ca 0.78 -2.09 0.08 0.00 -1.81 0.00 0.00 61.98 58.94 1wup s VAL 144 Cb -0.82 -2.49 -0.06 0.00 0.56 0.00 0.00 36.38 33.57 1wup s VAL 144 CO 0.47 -0.26 -0.08 0.54 -0.31 0.00 0.00 175.10 175.46 1wup s VAL 145 N -3.12 1.93 -0.04 1.32 0.11 0.55 -4.69 120.40 116.47 1wup s VAL 145 Ca 0.30 -2.18 0.01 0.00 -2.93 0.00 0.00 61.98 57.18 1wup s VAL 145 Cb 0.05 -2.50 0.02 0.00 -1.53 0.00 0.00 36.38 32.42 1wup s VAL 145 CO 0.12 -0.28 -0.02 -0.69 -3.33 0.00 0.00 175.10 170.90 1wup s VAL 146 N -2.82 0.36 0.19 2.04 1.01 -0.48 0.08 120.40 120.77 1wup s VAL 146 Ca 0.30 -0.01 0.11 0.00 0.00 0.00 0.00 61.98 62.39 1wup s VAL 146 Cb 0.03 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 1wup s VAL 146 CO 0.14 0.19 -0.23 0.86 0.00 0.00 0.00 175.10 176.06 1wup s TRP 147 N 1.03 2.33 -0.30 5.22 -0.00 -0.67 0.10 118.94 126.65 1wup s TRP 147 Ca -0.09 -0.35 0.02 0.00 -0.00 0.00 0.00 56.10 55.68 1wup s TRP 147 Cb -0.14 -1.16 0.07 0.00 -0.00 0.00 0.00 33.47 32.25 1wup s TRP 147 CO -0.01 0.49 -0.03 -0.51 -0.00 0.00 0.00 176.95 176.89 1wup s LEU 148 N -2.64 4.04 0.31 5.86 1.43 0.19 -2.48 118.68 125.38 1wup s LEU 148 Ca 0.21 -1.67 0.02 0.00 -1.03 0.00 0.00 54.13 51.65 1wup s LEU 148 Cb -0.08 -1.61 0.50 0.00 0.03 0.00 0.00 46.19 45.03 1wup s LEU 148 CO 0.10 -0.28 1.84 1.55 0.23 0.00 0.00 176.35 179.79 1wup h PRO 149 N 7.76 0.67 -0.86 1.29 0.13 -1.82 1.19 132.00 140.36 1wup h PRO 149 Ca -0.14 -0.14 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 1wup h PRO 149 Cb 1.04 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.03 1wup h PRO 149 CO 0.50 0.65 0.47 0.93 -0.23 0.00 0.00 178.00 180.32 1wup h GLU 150 N 0.64 1.19 -0.02 0.86 5.08 -1.83 -3.04 114.58 117.45 1wup h GLU 150 Ca 0.14 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wup h GLU 150 Cb 0.33 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1wup h GLU 150 CO 0.01 0.87 -0.01 0.54 -1.00 0.00 0.00 179.01 179.41 1wup n ARG 151 N -4.34 1.28 -3.80 2.33 5.12 -1.01 -5.00 116.66 111.24 1wup n ARG 151 Ca 0.09 -1.45 -0.26 0.00 -1.93 0.00 0.00 57.85 54.31 1wup n ARG 151 Cb 0.10 -1.31 0.03 0.00 -1.16 0.00 0.00 32.46 30.12 1wup n ARG 151 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1wup n LYS 152 N 0.88 -5.48 -4.86 5.56 4.01 0.40 -4.80 118.16 113.87 1wup n LYS 152 Ca 0.09 0.63 -0.31 0.00 -0.51 0.00 0.00 58.31 58.21 1wup n LYS 152 Cb 0.40 -5.40 -0.13 0.00 -0.51 0.00 0.00 35.03 29.39 1wup n LYS 152 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1wup s ILE 153 N -3.46 2.70 -0.09 -0.18 1.01 -0.77 -0.59 121.20 119.82 1wup s ILE 153 Ca 0.38 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 60.00 1wup s ILE 153 Cb -0.19 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.22 1wup s ILE 153 CO 0.81 0.46 -0.16 -0.22 0.00 0.00 0.00 174.94 175.83 1wup s LEU 154 N -1.07 1.77 -0.43 2.97 2.96 0.11 0.53 118.68 125.51 1wup s LEU 154 Ca 0.13 -0.41 -0.17 0.00 -0.22 0.00 0.00 54.13 53.45 1wup s LEU 154 Cb -0.10 -1.07 0.03 0.00 0.50 0.00 0.00 46.19 45.54 1wup s LEU 154 CO 0.03 0.05 0.46 0.12 -1.32 0.00 0.00 176.35 175.68 1wup s PHE 155 N 0.77 3.16 -0.43 5.38 5.36 0.29 -0.33 117.98 132.18 1wup s PHE 155 Ca -0.11 -0.40 0.23 0.00 -0.96 0.00 0.00 56.93 55.70 1wup s PHE 155 Cb -0.16 -2.96 0.18 0.00 -0.34 0.00 0.00 43.02 39.75 1wup s PHE 155 CO 0.02 -0.73 1.22 0.78 -1.46 0.00 0.00 175.22 175.05 1wup h GLY 156 N 9.11 0.00 0.00 13.12 0.00 -1.49 -1.28 103.07 122.53 1wup h GLY 156 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1wup h GLY 156 CO 0.81 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.96 1wup n GLY 157 N 1.24 1.82 0.00 4.60 0.00 -0.71 -0.73 105.19 111.42 1wup n GLY 157 Ca 0.02 -0.48 0.02 0.00 0.00 0.00 0.00 46.02 45.58 1wup n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wup h PHE 159 N 0.00 0.39 -2.83 0.00 3.04 -1.29 -3.43 116.94 112.82 1wup h PHE 159 Ca 0.00 -0.29 -0.55 0.00 3.98 0.00 0.00 57.97 61.12 1wup h PHE 159 Cb 0.00 -0.02 -0.06 0.00 2.56 0.00 0.00 35.95 38.43 1wup h PHE 159 CO 0.00 1.38 1.10 0.42 -2.02 0.00 0.00 178.31 179.19 1wup s ILE 160 N -2.42 3.79 -0.48 1.41 1.09 -1.07 -4.83 121.20 118.69 1wup s ILE 160 Ca -0.18 0.68 0.03 0.00 -1.10 0.00 0.00 60.65 60.08 1wup s ILE 160 Cb 0.02 -4.44 0.14 0.00 -1.06 0.00 0.00 42.46 37.12 1wup s ILE 160 CO 0.77 -1.17 0.29 -0.54 -0.10 0.00 0.00 174.94 174.18 1wup s LYS 161 N 5.49 1.50 0.21 2.79 -0.14 -1.26 -4.39 119.74 123.94 1wup s LYS 161 Ca 0.52 -2.28 0.09 0.00 -1.36 0.00 0.00 55.97 52.94 1wup s LYS 161 Cb -0.11 -2.52 0.13 0.00 -1.68 0.00 0.00 37.83 33.65 1wup s LYS 161 CO 0.25 -1.19 1.48 -1.35 -0.76 0.00 0.00 175.35 173.77 1wup h PRO 162 N 6.41 0.00 0.00 -1.68 0.11 -1.87 -3.34 132.00 131.63 1wup h PRO 162 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1wup h PRO 162 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1wup h PRO 162 CO 0.53 0.77 -1.55 0.66 -0.21 0.00 0.00 178.00 178.21 1wup n TYR 163 N -3.62 0.09 -3.65 0.65 0.53 -1.26 -4.71 117.16 105.20 1wup n TYR 163 Ca -0.01 0.03 -0.01 0.00 -1.02 0.00 0.00 57.90 56.89 1wup n TYR 163 Cb 0.75 -0.39 -0.04 0.00 -1.03 0.00 0.00 39.34 38.63 1wup n TYR 163 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 1wup s GLY 164 N -4.00 0.11 0.22 2.72 0.00 -1.25 -5.04 107.32 100.09 1wup s GLY 164 Ca -0.02 2.88 -0.06 0.00 0.00 0.00 0.00 44.72 47.53 1wup s GLY 164 CO 0.88 1.11 1.75 1.41 0.00 0.00 0.00 173.10 178.24 1wup h LEU 165 N 2.02 0.99 0.00 0.66 3.38 -1.89 -3.42 115.31 117.05 1wup h LEU 165 Ca -0.07 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1wup h LEU 165 Cb 1.19 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1wup h LEU 165 CO 0.21 0.96 0.00 0.61 0.09 0.00 0.00 178.44 180.31 1wup n GLY 166 N -0.71 -0.10 3.58 0.83 0.00 -1.26 -4.87 105.19 102.65 1wup n GLY 166 Ca 0.05 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 1wup n GLY 166 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wup s ASN 167 N -4.00 5.69 -0.02 1.61 2.47 -1.26 -4.86 114.94 114.58 1wup s ASN 167 Ca 0.00 0.77 0.04 0.00 0.42 0.00 0.00 52.86 54.09 1wup s ASN 167 Cb 0.00 -2.53 0.14 0.00 -1.45 0.00 0.00 41.25 37.41 1wup s ASN 167 CO 0.00 -1.96 0.99 0.18 -3.72 0.00 0.00 177.10 172.59 1wup n LEU 168 N 11.12 1.20 -0.04 3.21 4.77 -1.26 -4.28 117.00 131.72 1wup n LEU 168 Ca 0.20 -0.60 -0.10 0.00 -0.03 0.00 0.00 56.01 55.48 1wup n LEU 168 Cb 0.49 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.29 1wup n LEU 168 CO 0.70 0.24 0.62 1.23 -1.33 0.00 0.00 177.39 178.85 1wup h GLY 169 N 5.38 -0.49 -4.31 -0.72 0.00 -1.90 -2.51 103.07 98.52 1wup h GLY 169 Ca 0.00 0.45 -0.63 0.00 0.00 0.00 0.00 47.33 47.15 1wup h GLY 169 CO 0.03 -0.22 -0.13 1.22 0.00 0.00 0.00 176.54 177.45 1wup n ASP 170 N -5.42 5.84 -4.17 0.19 8.00 -1.26 -5.00 116.55 114.73 1wup n ASP 170 Ca -0.02 -3.76 -0.34 0.00 0.71 0.00 0.00 54.79 51.38 1wup n ASP 170 Cb 0.34 -0.63 -0.15 0.00 -0.02 0.00 0.00 41.12 40.66 1wup n ASP 170 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wup s ALA 171 N -3.71 2.60 -0.93 2.24 0.00 -0.95 -3.05 121.76 117.96 1wup s ALA 171 Ca 0.52 -1.45 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 1wup s ALA 171 Cb 0.43 -1.57 -0.12 0.00 0.00 0.00 0.00 23.12 21.86 1wup s ALA 171 CO -0.14 -0.76 2.77 -1.71 0.00 0.00 0.00 175.76 175.92 1wup n ASN 172 N 4.63 6.36 -0.44 0.00 2.85 -1.02 -4.74 115.26 122.90 1wup n ASN 172 Ca -0.17 -2.42 0.36 0.00 -0.11 0.00 0.00 54.58 52.24 1wup n ASN 172 Cb 0.47 -1.31 0.60 0.00 1.24 0.00 0.00 39.78 40.78 1wup n ASN 172 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wup n ILE 173 N 3.44 -0.19 0.11 -1.44 0.13 -1.26 0.74 119.36 120.89 1wup n ILE 173 Ca 0.56 1.52 -0.03 0.00 -1.10 0.00 0.00 62.75 63.71 1wup n ILE 173 Cb 0.37 -2.50 0.16 0.00 -0.84 0.00 0.00 39.64 36.83 1wup n ILE 173 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1wup h GLU 174 N 0.00 0.14 0.00 9.51 3.07 -1.94 -3.15 114.58 122.21 1wup h GLU 174 Ca 0.77 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 59.54 1wup h GLU 174 Cb 2.57 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 30.50 1wup h GLU 174 CO -0.35 0.68 -0.91 0.00 -1.40 0.00 0.00 179.01 177.03 1wup n ALA 175 N -2.45 3.66 0.01 3.43 0.00 0.23 -4.40 120.51 120.98 1wup n ALA 175 Ca -0.02 -0.43 -0.11 0.00 0.00 0.00 0.00 53.44 52.88 1wup n ALA 175 Cb 0.59 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 19.01 1wup n ALA 175 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1wup h TRP 176 N 0.00 0.09 -0.05 0.00 2.91 -1.23 0.28 115.95 117.95 1wup h TRP 176 Ca 0.00 0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.06 1wup h TRP 176 Cb 0.64 -0.03 -0.05 0.00 -0.51 0.00 0.00 29.16 29.21 1wup h TRP 176 CO 0.00 0.08 -0.22 -1.35 -1.03 0.00 0.00 178.44 175.91 1wup h PRO 177 N 0.08 -0.31 -0.82 2.65 0.11 -1.74 1.74 132.00 133.70 1wup h PRO 177 Ca 0.03 0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.27 1wup h PRO 177 Cb 0.01 0.07 -0.06 0.00 0.11 0.00 0.00 31.00 31.13 1wup h PRO 177 CO -0.01 -0.21 0.54 0.87 -0.21 0.00 0.00 178.00 178.98 1wup h LYS 178 N -0.32 0.67 0.16 1.05 1.57 -1.74 -0.05 116.57 117.92 1wup h LYS 178 Ca 0.08 -0.04 -0.30 0.00 -1.87 0.00 0.00 60.65 58.51 1wup h LYS 178 Cb 0.43 -0.15 0.03 0.00 0.08 0.00 0.00 32.23 32.62 1wup h LYS 178 CO -0.24 0.44 -1.29 0.77 -0.57 0.00 0.00 179.45 178.57 1wup h SER 179 N 0.69 0.86 0.28 0.86 0.02 0.14 -2.59 113.55 113.81 1wup h SER 179 Ca 0.39 -0.85 -0.04 0.00 -0.84 0.00 0.00 61.79 60.45 1wup h SER 179 Cb 0.57 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1wup h SER 179 CO -0.16 1.63 -0.19 0.00 -1.14 0.00 0.00 176.83 176.97 1wup h ALA 180 N 0.24 1.50 -0.05 3.77 0.00 0.33 -1.36 119.26 123.68 1wup h ALA 180 Ca -0.21 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 1wup h ALA 180 Cb 1.97 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1wup h ALA 180 CO 0.25 0.24 -0.26 -0.22 0.00 0.00 0.00 179.25 179.25 1wup h LYS 181 N 0.00 0.27 -0.14 0.00 3.64 -1.01 0.12 116.57 119.44 1wup h LYS 181 Ca -0.00 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 1wup h LYS 181 Cb 0.38 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1wup h LYS 181 CO 0.02 0.87 0.03 1.25 -2.27 0.00 0.00 179.45 179.36 1wup h LEU 182 N -0.25 0.18 -0.02 5.20 5.85 -1.14 -0.85 115.31 124.27 1wup h LEU 182 Ca -0.02 -0.01 -0.26 0.00 0.84 0.00 0.00 57.88 58.43 1wup h LEU 182 Cb 0.92 -0.04 0.02 0.00 0.37 0.00 0.00 40.66 41.93 1wup h LEU 182 CO 0.05 0.19 -1.06 0.25 -0.34 0.00 0.00 178.44 177.53 1wup h LEU 183 N 0.20 0.83 -1.07 2.25 5.85 -1.18 -0.75 115.31 121.43 1wup h LEU 183 Ca 0.05 -0.68 -0.02 0.00 0.84 0.00 0.00 57.88 58.07 1wup h LEU 183 Cb 0.09 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1wup h LEU 183 CO -0.00 1.48 0.35 0.50 -0.34 0.00 0.00 178.44 180.43 1wup h LYS 184 N 0.34 1.00 0.18 1.25 3.64 0.07 -1.22 116.57 121.83 1wup h LYS 184 Ca -0.13 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 1wup h LYS 184 Cb 1.71 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 1wup h LYS 184 CO 0.20 0.76 -0.09 0.77 -2.27 0.00 0.00 179.45 178.83 1wup h SER 185 N 1.00 -0.20 -0.99 4.20 0.02 -1.14 -1.59 113.55 114.84 1wup h SER 185 Ca 0.25 0.01 0.35 0.00 -0.84 0.00 0.00 61.79 61.55 1wup h SER 185 Cb 0.09 0.05 -0.17 0.00 0.14 0.00 0.00 62.40 62.51 1wup h SER 185 CO -0.03 -0.08 0.43 0.50 -1.14 0.00 0.00 176.83 176.51 1wup h LYS 186 N -0.37 0.11 -0.71 3.45 1.63 -1.07 -2.60 116.57 117.01 1wup h LYS 186 Ca -0.02 -0.01 -0.45 0.00 -0.85 0.00 0.00 60.65 59.32 1wup h LYS 186 Cb 0.18 -0.02 -0.42 0.00 -0.60 0.00 0.00 32.23 31.37 1wup h LYS 186 CO 0.04 0.07 -0.92 0.66 -3.45 0.00 0.00 179.45 175.85 1wup n TYR 187 N -5.24 2.29 0.28 1.91 4.02 -0.47 -4.76 117.16 115.19 1wup n TYR 187 Ca 0.32 -2.26 0.16 0.00 -0.01 0.00 0.00 57.90 56.10 1wup n TYR 187 Cb 1.05 -0.29 0.80 0.00 -0.02 0.00 0.00 39.34 40.88 1wup n TYR 187 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1wup h GLY 188 N 2.36 0.00 1.05 2.72 0.00 -0.87 -2.15 103.07 106.17 1wup h GLY 188 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1wup h GLY 188 CO 0.58 0.00 0.00 0.58 0.00 0.00 0.00 176.54 177.70 1wup n LYS 189 N -3.39 0.70 -1.68 4.80 2.85 -1.26 -4.85 118.16 115.33 1wup n LYS 189 Ca -0.01 0.01 -0.40 0.00 -1.05 0.00 0.00 58.31 56.86 1wup n LYS 189 Cb 0.23 -1.50 0.03 0.00 -0.65 0.00 0.00 35.03 33.14 1wup n LYS 189 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wup n ALA 190 N -1.02 0.92 -0.02 0.58 0.00 -0.81 -4.94 120.51 115.21 1wup n ALA 190 Ca 0.17 0.17 0.03 0.00 0.00 0.00 0.00 53.44 53.81 1wup n ALA 190 Cb 0.09 -2.22 -0.11 0.00 0.00 0.00 0.00 19.45 17.21 1wup n ALA 190 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wup n LYS 191 N -0.43 0.84 -3.70 0.00 5.02 0.25 -3.78 118.16 116.35 1wup n LYS 191 Ca 0.10 -0.10 -0.13 0.00 -2.02 0.00 0.00 58.31 56.17 1wup n LYS 191 Cb 0.42 -1.34 -0.13 0.00 -0.02 0.00 0.00 35.03 33.96 1wup n LYS 191 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wup s LEU 192 N -4.28 0.08 -0.16 -0.35 1.43 -1.18 -4.51 118.68 109.72 1wup s LEU 192 Ca -0.06 0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 53.62 1wup s LEU 192 Cb 0.08 0.79 -0.01 0.00 0.03 0.00 0.00 46.19 47.07 1wup s LEU 192 CO 0.58 -0.20 -0.09 -0.69 0.23 0.00 0.00 176.35 176.19 1wup s VAL 193 N 1.73 3.29 -0.39 -1.59 1.01 0.11 -0.72 120.40 123.84 1wup s VAL 193 Ca -0.05 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.27 1wup s VAL 193 Cb -0.11 -2.43 0.05 0.00 0.00 0.00 0.00 36.38 33.90 1wup s VAL 193 CO -0.09 0.49 0.21 -0.69 0.00 0.00 0.00 175.10 175.03 1wup s VAL 194 N 0.66 4.32 1.11 2.92 1.01 0.55 -0.19 120.40 130.79 1wup s VAL 194 Ca -0.05 -1.12 -0.18 0.00 0.00 0.00 0.00 61.98 60.63 1wup s VAL 194 Cb -0.15 -3.51 0.25 0.00 0.00 0.00 0.00 36.38 32.97 1wup s VAL 194 CO 0.02 -0.34 1.18 -2.84 0.00 0.00 0.00 175.10 173.13 1wup s PRO 195 N 1.48 -0.54 0.08 2.72 0.02 -1.26 -1.33 135.00 136.17 1wup s PRO 195 Ca 0.02 -0.17 0.22 0.00 0.02 0.00 0.00 61.00 61.09 1wup s PRO 195 Cb -0.21 -1.69 -0.17 0.00 0.02 0.00 0.00 34.50 32.45 1wup s PRO 195 CO 0.04 -3.24 0.75 0.45 -0.33 0.00 0.00 177.00 174.67 1wup n SER 196 N -4.40 0.43 0.00 2.53 2.88 -0.74 -4.47 113.62 109.84 1wup n SER 196 Ca 0.14 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1wup n SER 196 Cb 0.59 1.20 0.00 0.00 -0.75 0.00 0.00 64.21 65.25 1wup n SER 196 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1wup n HIS 197 N -2.48 0.00 -2.72 0.66 8.25 -1.26 -0.65 115.22 117.01 1wup n HIS 197 Ca -0.03 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.38 1wup n HIS 197 Cb 0.58 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.71 1wup n HIS 197 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1wup n SER 198 N -0.03 0.47 -4.86 0.41 7.64 -1.26 -4.81 113.62 111.18 1wup n SER 198 Ca 0.00 -1.36 -0.30 0.00 1.01 0.00 0.00 58.87 58.22 1wup n SER 198 Cb 0.00 -0.14 0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1wup n SER 198 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1wup s GLU 199 N -2.87 2.38 0.20 1.43 0.41 -1.26 -4.66 118.70 114.34 1wup s GLU 199 Ca 0.17 0.41 -0.30 0.00 -0.41 0.00 0.00 54.97 54.84 1wup s GLU 199 Cb -0.01 -1.97 -0.08 0.00 -1.78 0.00 0.00 34.13 30.29 1wup s GLU 199 CO 0.11 -1.36 1.10 0.08 -0.49 0.00 0.00 175.26 174.69 1wup s VAL 200 N -3.36 3.79 0.00 2.63 1.01 -1.26 -4.38 120.40 118.83 1wup s VAL 200 Ca 0.60 1.60 0.00 0.00 0.00 0.00 0.00 61.98 64.18 1wup s VAL 200 Cb -0.12 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1wup s VAL 200 CO 0.52 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.53 1wup n GLY 201 N 1.86 7.21 3.78 4.51 0.00 0.73 -4.93 105.19 118.35 1wup n GLY 201 Ca 0.02 -2.00 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 1wup n GLY 201 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wup s ASP 202 N 0.75 4.15 0.00 1.61 3.84 -1.26 0.04 116.67 125.80 1wup s ASP 202 Ca 0.00 -1.69 0.00 0.00 -0.00 0.00 0.00 52.55 50.86 1wup s ASP 202 Cb 0.00 0.65 0.00 0.00 -1.38 0.00 0.00 42.92 42.19 1wup s ASP 202 CO 0.00 -0.91 0.08 0.00 -0.00 0.00 0.00 175.17 174.34 1wup n ALA 203 N -1.30 0.00 -0.01 2.11 0.00 -1.25 -1.00 120.51 119.06 1wup n ALA 203 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.13 1wup n ALA 203 Cb 0.67 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.98 1wup n ALA 203 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1wup h SER 204 N 0.00 0.05 -0.60 0.00 4.64 -1.93 -3.30 113.55 112.41 1wup h SER 204 Ca 0.00 -0.10 0.17 0.00 -0.47 0.00 0.00 61.79 61.39 1wup h SER 204 Cb 0.16 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1wup h SER 204 CO 0.00 1.09 0.50 -0.07 -0.87 0.00 0.00 176.83 177.48 1wup h LEU 205 N 0.01 0.00 -0.29 5.97 3.38 -1.45 0.72 115.31 123.66 1wup h LEU 205 Ca -0.28 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1wup h LEU 205 Cb 2.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.74 1wup h LEU 205 CO 0.09 0.00 0.03 -0.07 0.09 0.00 0.00 178.44 178.58 1wup h LEU 206 N 0.00 0.47 0.08 1.67 3.38 -1.77 0.69 115.31 119.84 1wup h LEU 206 Ca 0.28 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1wup h LEU 206 Cb 1.27 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1wup h LEU 206 CO -0.00 0.63 -0.04 0.50 0.09 0.00 0.00 178.44 179.62 1wup h LYS 207 N 0.30 -0.11 -0.06 1.13 3.64 0.17 0.30 116.57 121.94 1wup h LYS 207 Ca 0.09 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1wup h LYS 207 Cb 0.37 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 1wup h LYS 207 CO 0.01 0.09 -0.15 -0.07 -2.27 0.00 0.00 179.45 177.06 1wup h LEU 208 N -0.29 -0.44 -0.32 5.20 3.38 -0.81 0.68 115.31 122.72 1wup h LEU 208 Ca -0.01 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.10 1wup h LEU 208 Cb 0.25 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.12 1wup h LEU 208 CO 0.02 -0.20 -0.21 0.74 0.09 0.00 0.00 178.44 178.88 1wup h THR 209 N -0.22 0.42 -0.61 0.22 2.02 0.64 0.45 112.91 115.83 1wup h THR 209 Ca 0.07 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.32 1wup h THR 209 Cb 0.31 0.42 -0.06 0.00 -1.74 0.00 0.00 68.15 67.08 1wup h THR 209 CO -0.18 0.00 0.29 0.25 0.37 0.00 0.00 175.52 176.25 1wup h LEU 210 N -0.18 0.38 0.43 2.58 5.85 0.55 0.33 115.31 125.26 1wup h LEU 210 Ca 0.16 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1wup h LEU 210 Cb 0.43 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1wup h LEU 210 CO -0.42 0.24 -0.49 -0.33 -0.34 0.00 0.00 178.44 177.10 1wup h GLU 211 N 0.53 -0.90 -0.03 1.25 5.08 0.44 -0.35 114.58 120.58 1wup h GLU 211 Ca 0.29 0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.67 1wup h GLU 211 Cb 0.27 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1wup h GLU 211 CO -0.23 -0.60 -0.17 1.96 -1.00 0.00 0.00 179.01 178.96 1wup h GLN 212 N -0.94 0.05 -0.23 2.33 4.20 -0.00 0.12 115.11 120.64 1wup h GLN 212 Ca -0.05 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1wup h GLN 212 Cb 0.84 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1wup h GLN 212 CO -0.10 0.23 0.07 0.00 -0.67 0.00 0.00 178.83 178.36 1wup h ALA 213 N 1.78 1.70 0.00 3.87 0.00 0.33 0.56 119.26 127.50 1wup h ALA 213 Ca 0.01 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1wup h ALA 213 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1wup h ALA 213 CO 0.02 0.24 -0.32 -0.39 0.00 0.00 0.00 179.25 178.80 1wup h VAL 214 N 0.32 1.43 -0.99 0.00 -1.51 0.77 -1.84 116.25 114.43 1wup h VAL 214 Ca 0.08 -2.20 0.19 0.00 -1.23 0.00 0.00 66.70 63.54 1wup h VAL 214 Cb 0.11 2.83 -0.10 0.00 -2.13 0.00 0.00 31.29 32.00 1wup h VAL 214 CO -0.01 0.49 0.61 0.50 -1.23 0.00 0.00 177.57 177.93 1wup h LYS 215 N -1.00 0.71 0.65 5.19 3.64 -0.66 0.90 116.57 125.99 1wup h LYS 215 Ca -0.09 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 1wup h LYS 215 Cb 1.00 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1wup h LYS 215 CO -0.05 0.47 -0.31 0.78 -2.27 0.00 0.00 179.45 178.06 1wup h GLY 216 N 0.73 -0.91 1.39 5.01 0.00 0.07 -2.36 103.07 107.00 1wup h GLY 216 Ca 0.56 0.34 0.05 0.00 0.00 0.00 0.00 47.33 48.28 1wup h GLY 216 CO -0.35 -0.33 0.30 -2.00 0.00 0.00 0.00 176.54 174.16 1wup h LEU 217 N -0.89 0.36 -4.91 3.11 5.85 0.07 -2.84 115.31 116.06 1wup h LEU 217 Ca -0.09 -0.00 -0.54 0.00 0.84 0.00 0.00 57.88 58.09 1wup h LEU 217 Cb 0.67 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.63 1wup h LEU 217 CO 0.15 0.24 2.95 0.59 -0.34 0.00 0.00 178.44 182.03 1wup n ASN 218 N -4.48 7.50 0.00 1.25 3.02 0.29 -5.02 115.26 117.82 1wup n ASN 218 Ca 0.05 -2.50 0.00 0.00 -0.03 0.00 0.00 54.58 52.10 1wup n ASN 218 Cb 0.21 -1.44 0.00 0.00 -0.61 0.00 0.00 39.78 37.94 1wup n ASN 218 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02