#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wup n PRO 5 N 0.00 0.21 -1.40 3.23 -0.02 -1.26 -4.91 135.00 130.85 1wup n PRO 5 Ca 0.00 0.07 -0.32 0.00 -2.02 0.00 0.00 63.50 61.23 1wup n PRO 5 Cb 0.00 -1.13 0.08 0.00 -0.02 0.00 0.00 33.50 32.43 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 -0.93 4.52 0.32 2.55 1.11 -1.26 -4.57 116.67 118.40 1wup s ASP 6 Ca 0.63 1.99 -0.29 0.00 0.18 0.00 0.00 52.55 55.06 1wup s ASP 6 Cb -0.89 -2.54 -0.10 0.00 1.07 0.00 0.00 42.92 40.45 1wup s ASP 6 CO 0.57 -2.03 1.31 -0.22 1.18 0.00 0.00 175.17 175.98 1wup s LEU 7 N -5.53 4.43 0.13 1.23 2.96 -1.26 -4.88 118.68 115.77 1wup s LEU 7 Ca 0.65 2.67 0.11 0.00 -0.22 0.00 0.00 54.13 57.34 1wup s LEU 7 Cb -0.20 -3.65 -0.04 0.00 0.50 0.00 0.00 46.19 42.80 1wup s LEU 7 CO 0.50 -0.54 -0.26 -0.54 -1.32 0.00 0.00 176.35 174.19 1wup s LYS 8 N -1.62 1.39 -0.28 1.98 1.02 -0.76 -4.96 119.74 116.51 1wup s LYS 8 Ca 0.50 -1.35 -0.02 0.00 0.02 0.00 0.00 55.97 55.12 1wup s LYS 8 Cb -0.40 -1.86 0.09 0.00 -0.52 0.00 0.00 37.83 35.15 1wup s LYS 8 CO 0.51 0.44 0.09 0.42 -0.92 0.00 0.00 175.35 175.89 1wup s ILE 9 N -1.12 0.58 -0.17 2.17 -1.09 -1.26 -1.12 121.20 119.18 1wup s ILE 9 Ca 0.14 -1.06 -0.02 0.00 -2.23 0.00 0.00 60.65 57.48 1wup s ILE 9 Cb -0.10 -1.37 -0.01 0.00 -1.58 0.00 0.00 42.46 39.41 1wup s ILE 9 CO 0.06 -0.58 -0.10 -1.61 -1.23 0.00 0.00 174.94 171.49 1wup s GLU 10 N 1.78 3.35 0.13 2.79 2.02 -1.22 -4.95 118.70 122.59 1wup s GLU 10 Ca 0.07 -0.67 -0.31 0.00 0.02 0.00 0.00 54.97 54.08 1wup s GLU 10 Cb -0.17 -2.79 -0.10 0.00 0.10 0.00 0.00 34.13 31.17 1wup s GLU 10 CO -0.24 0.00 1.64 0.21 0.02 0.00 0.00 175.26 176.89 1wup s LYS 11 N 0.91 4.20 -0.06 1.61 2.20 -1.26 -1.54 119.74 125.79 1wup s LYS 11 Ca -0.02 2.39 -0.04 0.00 -0.36 0.00 0.00 55.97 57.93 1wup s LYS 11 Cb -0.15 -3.36 -0.01 0.00 -1.51 0.00 0.00 37.83 32.80 1wup s LYS 11 CO -0.00 -0.69 -0.08 -0.11 -0.36 0.00 0.00 175.35 174.11 1wup n LEU 12 N 4.75 0.82 0.00 5.43 7.94 -0.02 -4.90 117.00 131.02 1wup n LEU 12 Ca 0.15 0.42 0.00 0.00 -1.11 0.00 0.00 56.01 55.47 1wup n LEU 12 Cb 0.39 -0.67 0.00 0.00 0.53 0.00 0.00 43.42 43.67 1wup n LEU 12 CO 0.62 -0.49 0.00 -0.67 -1.11 0.00 0.00 177.39 175.75 1wup n ASP 13 N -3.32 1.44 -4.56 1.96 -0.08 -0.73 -5.02 116.55 106.24 1wup n ASP 13 Ca -0.03 -0.58 -0.33 0.00 -1.51 0.00 0.00 54.79 52.34 1wup n ASP 13 Cb 0.12 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.54 1wup n ASP 13 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1wup s GLU 14 N -0.74 2.86 0.00 -0.67 0.41 -1.26 -2.85 118.70 116.45 1wup s GLU 14 Ca 0.00 -0.37 0.00 0.00 -0.41 0.00 0.00 54.97 54.19 1wup s GLU 14 Cb 0.00 -4.99 0.00 0.00 -1.78 0.00 0.00 34.13 27.36 1wup s GLU 14 CO 0.00 -2.92 0.00 0.41 -0.49 0.00 0.00 175.26 172.26 1wup n GLY 15 N 6.61 0.94 2.72 -1.39 0.00 -1.26 -4.96 105.19 107.86 1wup n GLY 15 Ca 0.33 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.00 -0.24 0.56 1.61 0.11 -1.13 0.33 120.40 119.64 1wup s VAL 16 Ca 0.00 -0.03 0.08 0.00 -2.93 0.00 0.00 61.98 59.10 1wup s VAL 16 Cb 0.00 -0.56 0.07 0.00 -1.53 0.00 0.00 36.38 34.36 1wup s VAL 16 CO 0.00 -0.15 0.77 -0.31 -3.33 0.00 0.00 175.10 172.08 1wup s TYR 17 N 2.26 1.77 -0.36 1.54 1.51 -0.64 -0.84 117.35 122.59 1wup s TYR 17 Ca 0.05 -0.57 0.00 0.00 -1.01 0.00 0.00 57.07 55.54 1wup s TYR 17 Cb -0.15 -2.37 0.12 0.00 -0.11 0.00 0.00 41.96 39.45 1wup s TYR 17 CO -0.10 -1.07 0.18 0.08 -1.11 0.00 0.00 175.55 173.53 1wup s VAL 18 N -2.67 0.76 0.22 0.71 1.01 -0.59 -2.42 120.40 117.42 1wup s VAL 18 Ca 0.61 -1.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.48 1wup s VAL 18 Cb -0.07 -1.56 -0.08 0.00 0.00 0.00 0.00 36.38 34.67 1wup s VAL 18 CO 0.38 -0.84 1.14 -1.38 0.00 0.00 0.00 175.10 174.40 1wup s HIS 19 N 1.09 3.52 -0.12 5.22 -3.43 0.14 -3.46 115.29 118.25 1wup s HIS 19 Ca 0.15 1.57 0.01 0.00 -0.80 0.00 0.00 55.06 55.99 1wup s HIS 19 Cb -0.21 -3.34 0.02 0.00 -1.43 0.00 0.00 32.58 27.62 1wup s HIS 19 CO -0.11 -0.81 -0.14 0.99 -2.00 0.00 0.00 174.74 172.67 1wup s THR 20 N -0.52 1.47 0.35 -5.38 2.01 -0.28 0.93 115.64 114.22 1wup s THR 20 Ca 0.49 -0.61 0.08 0.00 0.31 0.00 0.00 61.69 61.97 1wup s THR 20 Cb -0.32 -1.36 -0.07 0.00 0.01 0.00 0.00 72.50 70.76 1wup s THR 20 CO 0.38 0.44 -0.06 -0.94 -0.69 0.00 0.00 174.62 173.75 1wup s SER 21 N 1.18 3.57 0.06 3.53 1.04 -0.58 -1.83 113.70 120.67 1wup s SER 21 Ca -0.03 -1.24 0.02 0.00 0.48 0.00 0.00 55.95 55.18 1wup s SER 21 Cb -0.14 -0.32 -0.03 0.00 0.10 0.00 0.00 66.02 65.63 1wup s SER 21 CO -0.05 -0.29 -0.07 -0.36 0.98 0.00 0.00 173.24 173.45 1wup s PHE 22 N -2.72 0.71 0.29 5.02 0.40 -1.26 0.14 117.98 120.56 1wup s PHE 22 Ca 0.33 -0.62 -0.04 0.00 -0.60 0.00 0.00 56.93 55.99 1wup s PHE 22 Cb 0.04 -0.42 0.02 0.00 0.51 0.00 0.00 43.02 43.17 1wup s PHE 22 CO 0.16 -0.11 0.45 -1.91 0.70 0.00 0.00 175.22 174.51 1wup n GLU 23 N 1.06 0.65 -2.18 0.44 4.07 -1.14 -4.94 120.64 118.60 1wup n GLU 23 Ca -0.20 -2.07 -0.43 0.00 -0.06 0.00 0.00 57.16 54.41 1wup n GLU 23 Cb 0.56 2.14 0.00 0.00 -0.06 0.00 0.00 31.44 34.08 1wup n GLU 23 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1wup n GLU 24 N -0.44 3.09 -2.72 5.31 -0.58 -1.26 -3.70 120.64 120.33 1wup n GLU 24 Ca -0.02 -3.03 -0.42 0.00 -0.42 0.00 0.00 57.16 53.27 1wup n GLU 24 Cb 0.46 -3.31 -0.03 0.00 -0.57 0.00 0.00 31.44 28.00 1wup n GLU 24 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1wup s VAL 25 N 3.14 4.28 0.17 2.62 1.01 -1.14 -4.91 120.40 125.59 1wup s VAL 25 Ca 0.48 -1.13 -0.23 0.00 0.00 0.00 0.00 61.98 61.11 1wup s VAL 25 Cb 0.09 -4.93 0.06 0.00 0.00 0.00 0.00 36.38 31.60 1wup s VAL 25 CO -0.01 -1.75 1.40 -0.46 0.00 0.00 0.00 175.10 174.28 1wup n ASN 26 N 7.84 -0.79 0.00 3.32 0.23 -1.26 -2.88 115.26 121.71 1wup n ASN 26 Ca 0.29 1.59 0.00 0.00 -0.53 0.00 0.00 54.58 55.93 1wup n ASN 26 Cb 0.50 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 1wup n ASN 26 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wup n GLY 27 N -1.32 -1.69 3.23 4.83 0.00 -1.26 -4.59 105.19 104.39 1wup n GLY 27 Ca 0.05 0.35 0.04 0.00 0.00 0.00 0.00 46.02 46.46 1wup n GLY 27 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1wup s TRP 28 N -1.69 -0.59 0.00 1.61 1.48 -1.14 -5.17 118.94 113.44 1wup s TRP 28 Ca 0.00 0.78 0.00 0.00 -1.06 0.00 0.00 56.10 55.82 1wup s TRP 28 Cb 0.00 0.26 0.00 0.00 -1.16 0.00 0.00 33.47 32.57 1wup s TRP 28 CO 0.00 -0.31 0.00 0.41 -4.06 0.00 0.00 176.95 172.99 1wup n GLY 29 N 5.24 3.89 2.77 3.67 0.00 -1.20 -4.94 105.19 114.62 1wup n GLY 29 Ca -0.07 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 1wup n GLY 29 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wup n VAL 30 N -1.49 2.81 -1.94 1.61 0.31 -1.26 -2.88 118.33 115.48 1wup n VAL 30 Ca 0.00 -5.23 -0.41 0.00 -0.01 0.00 0.00 64.34 58.69 1wup n VAL 30 Cb 0.00 -2.18 -0.02 0.00 -0.91 0.00 0.00 33.84 30.73 1wup n VAL 30 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1wup s VAL 31 N -2.06 2.42 -0.21 2.52 -7.23 -1.24 -4.67 120.40 109.92 1wup s VAL 31 Ca 0.33 0.38 -0.21 0.00 -1.81 0.00 0.00 61.98 60.67 1wup s VAL 31 Cb 0.04 -3.24 -0.02 0.00 0.56 0.00 0.00 36.38 33.72 1wup s VAL 31 CO -0.05 0.08 0.64 -2.84 -0.31 0.00 0.00 175.10 172.61 1wup s PRO 32 N -1.20 4.19 -0.39 4.82 0.02 -1.26 -2.91 135.00 138.28 1wup s PRO 32 Ca 0.56 0.61 -0.08 0.00 0.02 0.00 0.00 61.00 62.11 1wup s PRO 32 Cb -0.44 -3.59 0.06 0.00 0.02 0.00 0.00 34.50 30.55 1wup s PRO 32 CO 0.52 -0.28 0.21 0.21 -0.33 0.00 0.00 177.00 177.33 1wup s LYS 33 N 2.03 2.62 0.16 5.54 2.36 0.38 -4.23 119.74 128.61 1wup s LYS 33 Ca 0.28 -1.34 -0.30 0.00 -2.55 0.00 0.00 55.97 52.07 1wup s LYS 33 Cb -0.16 -3.68 -0.07 0.00 -1.05 0.00 0.00 37.83 32.87 1wup s LYS 33 CO 0.10 -0.84 0.94 -1.01 1.55 0.00 0.00 175.35 176.09 1wup s HIS 34 N 1.43 3.89 0.28 4.03 3.76 -0.54 -1.53 115.29 126.61 1wup s HIS 34 Ca 0.02 1.83 0.06 0.00 -0.15 0.00 0.00 55.06 56.82 1wup s HIS 34 Cb -0.21 -3.00 -0.02 0.00 1.11 0.00 0.00 32.58 30.45 1wup s HIS 34 CO 0.03 0.33 0.26 0.41 -0.85 0.00 0.00 174.74 174.92 1wup n GLY 35 N 1.91 2.99 3.33 -2.22 0.00 0.27 -4.65 105.19 106.82 1wup n GLY 35 Ca -0.00 -1.83 -0.17 0.00 0.00 0.00 0.00 46.02 44.02 1wup n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wup s LEU 36 N 0.00 2.38 -0.35 0.99 1.43 -0.72 -0.69 118.68 121.71 1wup s LEU 36 Ca 0.33 -1.14 -0.00 0.00 -1.03 0.00 0.00 54.13 52.28 1wup s LEU 36 Cb 0.01 -0.41 0.13 0.00 0.03 0.00 0.00 46.19 45.95 1wup s LEU 36 CO 0.23 -0.39 0.19 -0.69 0.23 0.00 0.00 176.35 175.92 1wup s VAL 37 N -3.26 0.37 0.08 -1.59 1.01 -1.01 -0.86 120.40 115.14 1wup s VAL 37 Ca 0.25 -1.65 -0.30 0.00 0.00 0.00 0.00 61.98 60.28 1wup s VAL 37 Cb 0.04 -1.28 -0.06 0.00 0.00 0.00 0.00 36.38 35.08 1wup s VAL 37 CO 0.07 -0.90 1.14 -0.69 0.00 0.00 0.00 175.10 174.72 1wup s VAL 38 N 1.19 4.11 -0.23 2.92 1.01 -0.54 -1.62 120.40 127.24 1wup s VAL 38 Ca 0.16 1.59 -0.09 0.00 0.00 0.00 0.00 61.98 63.64 1wup s VAL 38 Cb -0.22 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1wup s VAL 38 CO -0.08 0.16 0.11 -0.76 0.00 0.00 0.00 175.10 174.53 1wup s LEU 39 N 0.67 3.80 0.00 3.92 1.43 0.99 -1.48 118.68 128.02 1wup s LEU 39 Ca 0.55 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 1wup s LEU 39 Cb -0.28 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 43.93 1wup s LEU 39 CO 0.31 0.06 0.00 0.52 0.23 0.00 0.00 176.35 177.46 1wup n VAL 40 N 4.33 0.00 0.27 -1.59 0.31 -0.51 -4.75 118.33 116.39 1wup n VAL 40 Ca -0.16 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.04 1wup n VAL 40 Cb 0.52 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.38 1wup n VAL 40 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1wup h ASN 41 N 0.00 -0.92 -0.03 4.52 2.35 -2.00 -3.39 115.58 116.12 1wup h ASN 41 Ca 0.00 0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.65 1wup h ASN 41 Cb 0.00 0.28 -0.25 0.00 0.05 0.00 0.00 38.32 38.40 1wup h ASN 41 CO 0.00 -0.51 -0.62 0.00 -1.65 0.00 0.00 177.43 174.65 1wup n ALA 42 N -2.58 3.09 -3.68 -0.83 0.00 -1.26 -5.09 120.51 110.17 1wup n ALA 42 Ca -0.10 -1.47 -0.26 0.00 0.00 0.00 0.00 53.44 51.61 1wup n ALA 42 Cb 0.35 -0.56 -0.17 0.00 0.00 0.00 0.00 19.45 19.07 1wup n ALA 42 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1wup s GLU 43 N -0.25 1.78 0.02 0.00 2.02 -1.26 -2.26 118.70 118.74 1wup s GLU 43 Ca 0.15 -0.40 -0.12 0.00 0.02 0.00 0.00 54.97 54.62 1wup s GLU 43 Cb 0.21 -1.60 -0.06 0.00 0.10 0.00 0.00 34.13 32.78 1wup s GLU 43 CO -0.08 -0.10 0.38 0.00 0.02 0.00 0.00 175.26 175.48 1wup s ALA 44 N 1.12 3.73 -0.08 5.21 0.00 0.21 -1.43 121.76 130.52 1wup s ALA 44 Ca -0.05 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.61 1wup s ALA 44 Cb -0.14 -2.30 0.01 0.00 0.00 0.00 0.00 23.12 20.69 1wup s ALA 44 CO -0.02 0.53 -0.16 0.71 0.00 0.00 0.00 175.76 176.82 1wup s TYR 45 N -1.19 1.83 -0.41 0.00 1.51 -0.55 -0.27 117.35 118.27 1wup s TYR 45 Ca 0.26 -0.71 -0.18 0.00 -1.01 0.00 0.00 57.07 55.43 1wup s TYR 45 Cb -0.15 -1.29 0.02 0.00 -0.11 0.00 0.00 41.96 40.43 1wup s TYR 45 CO 0.14 -0.33 0.51 -0.51 -1.11 0.00 0.00 175.55 174.25 1wup s LEU 46 N 0.56 4.68 -0.49 -1.29 1.43 -0.80 -1.47 118.68 121.30 1wup s LEU 46 Ca -0.16 -0.48 -0.23 0.00 -1.03 0.00 0.00 54.13 52.23 1wup s LEU 46 Cb -0.17 -2.51 0.03 0.00 0.03 0.00 0.00 46.19 43.58 1wup s LEU 46 CO 0.05 -0.62 0.84 -0.63 0.23 0.00 0.00 176.35 176.22 1wup s ILE 47 N 2.37 4.57 0.37 -0.59 -1.09 -0.04 -0.74 121.20 126.05 1wup s ILE 47 Ca 0.16 0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.90 1wup s ILE 47 Cb -0.16 -4.40 0.00 0.00 -1.58 0.00 0.00 42.46 36.32 1wup s ILE 47 CO 0.15 -0.87 0.00 0.47 -1.23 0.00 0.00 174.94 173.46 1wup n ASP 48 N 6.96 -6.91 -4.76 3.58 9.92 0.77 -1.76 116.55 124.34 1wup n ASP 48 Ca 0.02 0.95 -0.22 0.00 -0.53 0.00 0.00 54.79 55.00 1wup n ASP 48 Cb 0.48 -3.40 -0.05 0.00 -0.64 0.00 0.00 41.12 37.50 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 -2.79 3.85 1.39 -3.53 -4.23 0.12 -4.49 115.64 105.96 1wup s THR 49 Ca 0.00 -1.61 -0.21 0.00 -1.18 0.00 0.00 61.69 58.69 1wup s THR 49 Cb 0.00 -3.14 0.36 0.00 1.34 0.00 0.00 72.50 71.06 1wup s THR 49 CO 0.00 -0.32 0.94 -2.84 -0.54 0.00 0.00 174.62 171.86 1wup s PRO 50 N -3.80 -2.72 0.27 3.99 0.02 -1.26 -3.69 135.00 127.81 1wup s PRO 50 Ca 0.34 0.24 0.16 0.00 0.02 0.00 0.00 61.00 61.76 1wup s PRO 50 Cb -0.07 -1.39 0.07 0.00 0.02 0.00 0.00 34.50 33.13 1wup s PRO 50 CO 0.23 -4.76 1.38 0.74 -0.33 0.00 0.00 177.00 174.26 1wup h PHE 51 N -3.34 0.00 -4.07 6.54 -1.00 -1.78 -2.15 116.94 111.14 1wup h PHE 51 Ca -0.46 0.00 -0.69 0.00 2.81 0.00 0.00 57.97 59.63 1wup h PHE 51 Cb 1.34 0.00 -0.26 0.00 3.61 0.00 0.00 35.95 40.64 1wup h PHE 51 CO -2.79 0.45 -0.81 0.99 -1.61 0.00 0.00 178.31 174.54 1wup s THR 52 N -2.99 2.74 0.42 -1.55 2.01 -1.26 -4.21 115.64 110.80 1wup s THR 52 Ca 0.03 -0.83 0.17 0.00 0.31 0.00 0.00 61.69 61.37 1wup s THR 52 Cb 0.07 -2.05 0.37 0.00 0.01 0.00 0.00 72.50 70.90 1wup s THR 52 CO 0.75 0.58 1.89 0.00 -0.69 0.00 0.00 174.62 177.14 1wup h ALA 53 N 5.60 2.17 0.41 7.40 0.00 -1.89 0.78 119.26 133.74 1wup h ALA 53 Ca -0.42 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1wup h ALA 53 Cb 1.16 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1wup h ALA 53 CO 0.50 -0.42 -0.51 -0.22 0.00 0.00 0.00 179.25 178.60 1wup h LYS 54 N 0.40 -0.91 0.41 0.00 3.11 -1.97 1.58 116.57 119.20 1wup h LYS 54 Ca 0.42 0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 58.31 1wup h LYS 54 Cb 1.03 0.21 0.00 0.00 -1.00 0.00 0.00 32.23 32.47 1wup h LYS 54 CO -0.15 -0.60 -0.20 -0.44 -2.81 0.00 0.00 179.45 175.25 1wup h ASP 55 N -0.94 -0.46 -0.97 4.20 3.45 -1.35 0.31 116.42 120.65 1wup h ASP 55 Ca -0.05 -0.09 0.32 0.00 0.43 0.00 0.00 57.03 57.64 1wup h ASP 55 Cb 0.84 0.12 -0.17 0.00 -0.56 0.00 0.00 39.33 39.56 1wup h ASP 55 CO -0.11 -0.18 0.29 0.74 -1.57 0.00 0.00 179.24 178.41 1wup h THR 56 N -0.76 0.09 0.05 0.35 2.02 0.62 1.42 112.91 116.71 1wup h THR 56 Ca -0.06 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1wup h THR 56 Cb 0.52 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1wup h THR 56 CO 0.09 0.01 -0.02 -0.08 0.37 0.00 0.00 175.52 175.89 1wup h GLU 57 N 0.07 -0.07 0.44 6.66 4.57 0.28 0.14 114.58 126.68 1wup h GLU 57 Ca 0.69 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.85 1wup h GLU 57 Cb 1.59 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.20 1wup h GLU 57 CO -0.79 0.09 -0.21 0.87 -1.18 0.00 0.00 179.01 177.78 1wup h LYS 58 N -0.21 -0.57 -0.23 1.92 1.57 0.36 0.78 116.57 120.20 1wup h LYS 58 Ca -0.01 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1wup h LYS 58 Cb 0.18 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.55 1wup h LYS 58 CO 0.01 -0.37 -0.52 1.25 -0.57 0.00 0.00 179.45 179.25 1wup h LEU 59 N -0.61 -1.68 0.01 2.94 5.85 0.74 1.82 115.31 124.38 1wup h LEU 59 Ca -0.06 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1wup h LEU 59 Cb 0.46 0.67 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 1wup h LEU 59 CO 0.10 -0.45 -0.03 0.58 -0.34 0.00 0.00 178.44 178.30 1wup h VAL 60 N -0.51 0.00 -0.83 1.05 2.07 -0.55 -1.42 116.25 116.06 1wup h VAL 60 Ca 0.06 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.76 1wup h VAL 60 Cb 0.65 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 1wup h VAL 60 CO -0.48 0.00 0.56 0.71 0.02 0.00 0.00 177.57 178.37 1wup h THR 61 N -0.04 0.71 -0.68 2.57 1.35 -0.64 0.58 112.91 116.77 1wup h THR 61 Ca -0.00 -0.13 0.12 0.00 -0.55 0.00 0.00 66.41 65.85 1wup h THR 61 Cb 0.04 0.32 -0.09 0.00 -1.73 0.00 0.00 68.15 66.69 1wup h THR 61 CO -0.01 0.07 0.25 -0.25 -0.25 0.00 0.00 175.52 175.32 1wup h TRP 62 N 0.37 0.42 0.15 4.73 7.01 0.37 0.92 115.95 129.92 1wup h TRP 62 Ca 0.42 0.03 -0.28 0.00 2.11 0.00 0.00 58.89 61.17 1wup h TRP 62 Cb 1.08 -0.08 0.01 0.00 -2.10 0.00 0.00 29.16 28.07 1wup h TRP 62 CO -0.00 0.06 -1.28 0.74 -2.79 0.00 0.00 178.44 175.17 1wup h PHE 63 N 0.41 0.58 -0.04 2.65 -1.00 0.96 -3.04 116.94 117.45 1wup h PHE 63 Ca 0.36 -0.42 0.01 0.00 2.81 0.00 0.00 57.97 60.73 1wup h PHE 63 Cb 0.51 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.04 1wup h PHE 63 CO -0.18 1.33 0.03 0.28 -1.61 0.00 0.00 178.31 178.16 1wup h VAL 64 N 0.09 0.81 0.53 -0.55 2.07 0.86 -1.03 116.25 119.02 1wup h VAL 64 Ca -0.15 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1wup h VAL 64 Cb 2.00 0.98 0.01 0.00 -1.52 0.00 0.00 31.29 32.75 1wup h VAL 64 CO 0.22 0.00 -0.26 -0.08 0.02 0.00 0.00 177.57 177.47 1wup h GLU 65 N 0.00 -0.69 0.00 1.57 4.57 0.94 -2.05 114.58 118.92 1wup h GLU 65 Ca 0.02 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1wup h GLU 65 Cb 0.08 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1wup h GLU 65 CO -0.00 -0.46 0.00 0.54 -1.18 0.00 0.00 179.01 177.91 1wup n ARG 66 N -5.40 0.06 0.00 1.92 5.12 -0.43 -4.81 116.66 113.11 1wup n ARG 66 Ca -0.12 0.27 0.00 0.00 -1.93 0.00 0.00 57.85 56.06 1wup n ARG 66 Cb 0.30 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 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 -0.88 3.07 3.69 -0.13 0.00 -0.77 -5.05 105.19 105.12 1wup n GLY 67 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1wup n GLY 67 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wup s TYR 68 N -2.80 2.81 0.06 1.61 2.02 -0.99 -4.94 117.35 115.12 1wup s TYR 68 Ca 0.00 0.78 -0.23 0.00 -0.37 0.00 0.00 57.07 57.25 1wup s TYR 68 Cb 0.00 -3.68 -0.06 0.00 -0.40 0.00 0.00 41.96 37.82 1wup s TYR 68 CO 0.00 -2.54 0.69 -1.59 -1.57 0.00 0.00 175.55 170.54 1wup s LYS 69 N 2.47 4.42 0.23 -0.62 -2.85 -0.96 -3.23 119.74 119.20 1wup s LYS 69 Ca 0.64 0.94 -0.30 0.00 -1.00 0.00 0.00 55.97 56.26 1wup s LYS 69 Cb -0.32 -3.32 -0.09 0.00 -2.06 0.00 0.00 37.83 32.05 1wup s LYS 69 CO 0.27 0.43 1.20 0.42 0.10 0.00 0.00 175.35 177.77 1wup s ILE 70 N -0.50 3.37 -0.11 3.79 -1.09 -1.26 -0.62 121.20 124.78 1wup s ILE 70 Ca 0.34 1.23 -0.01 0.00 -2.23 0.00 0.00 60.65 59.99 1wup s ILE 70 Cb -0.20 -3.78 -0.06 0.00 -1.58 0.00 0.00 42.46 36.83 1wup s ILE 70 CO 0.21 0.23 -0.10 1.17 -1.23 0.00 0.00 174.94 175.23 1wup n LYS 71 N 1.93 0.25 -2.43 2.79 3.00 0.63 -4.84 118.16 119.49 1wup n LYS 71 Ca 0.03 0.07 -0.05 0.00 -0.00 0.00 0.00 58.31 58.36 1wup n LYS 71 Cb 0.44 -1.14 0.01 0.00 0.00 0.00 0.00 35.03 34.34 1wup n LYS 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wup n GLY 72 N 2.85 1.65 3.16 3.14 0.00 -1.24 -3.94 105.19 110.81 1wup n GLY 72 Ca -0.19 -1.18 -0.01 0.00 0.00 0.00 0.00 46.02 44.63 1wup n GLY 72 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wup s SER 73 N -2.03 -1.23 0.24 1.61 0.15 -1.11 -1.90 113.70 109.43 1wup s SER 73 Ca 0.09 -0.87 -0.30 0.00 0.70 0.00 0.00 55.95 55.57 1wup s SER 73 Cb -0.02 1.81 -0.09 0.00 -1.71 0.00 0.00 66.02 66.01 1wup s SER 73 CO 0.07 -0.18 0.98 -0.51 1.20 0.00 0.00 173.24 174.80 1wup s ILE 74 N 1.80 3.95 -0.22 6.45 1.10 0.08 -2.29 121.20 132.08 1wup s ILE 74 Ca 0.16 1.94 -0.02 0.00 -0.51 0.00 0.00 60.65 62.22 1wup s ILE 74 Cb -0.05 -4.24 0.01 0.00 0.15 0.00 0.00 42.46 38.33 1wup s ILE 74 CO -0.07 0.45 -0.09 -0.44 -2.11 0.00 0.00 174.94 172.68 1wup s SER 75 N -1.03 3.96 0.39 4.50 0.01 -0.77 0.27 113.70 121.03 1wup s SER 75 Ca 0.42 -0.58 0.16 0.00 1.31 0.00 0.00 55.95 57.27 1wup s SER 75 Cb -0.27 -1.64 1.05 0.00 0.21 0.00 0.00 66.02 65.36 1wup s SER 75 CO 0.34 -0.04 1.79 0.77 0.41 0.00 0.00 173.24 176.51 1wup h SER 76 N 8.04 0.48 -5.08 2.44 4.64 -1.90 -3.41 113.55 118.76 1wup h SER 76 Ca -0.41 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1wup h SER 76 Cb 1.14 -0.01 -0.08 0.00 -0.31 0.00 0.00 62.40 63.14 1wup h SER 76 CO 0.61 0.13 0.07 -1.38 -0.87 0.00 0.00 176.83 175.40 1wup s HIS 77 N -5.52 -0.07 0.50 4.77 -3.43 -1.26 0.19 115.29 110.46 1wup s HIS 77 Ca -0.09 -0.30 0.40 0.00 -0.80 0.00 0.00 55.06 54.27 1wup s HIS 77 Cb 0.25 0.46 2.06 0.00 -1.43 0.00 0.00 32.58 33.92 1wup s HIS 77 CO 0.79 -1.03 2.25 0.27 -2.00 0.00 0.00 174.74 175.03 1wup h PHE 78 N 2.13 0.00 -3.56 0.38 -0.00 -1.85 -3.37 116.94 110.66 1wup h PHE 78 Ca -0.26 0.00 -0.52 0.00 -0.00 0.00 0.00 57.97 57.19 1wup h PHE 78 Cb 1.26 0.00 0.21 0.00 -0.00 0.00 0.00 35.95 37.42 1wup h PHE 78 CO 0.38 0.01 -0.38 0.72 -0.00 0.00 0.00 178.31 179.04 1wup n HIS 79 N -3.17 -0.83 0.24 6.09 8.25 -1.26 -4.52 115.22 120.02 1wup n HIS 79 Ca -0.02 0.26 0.09 0.00 -0.26 0.00 0.00 57.72 57.79 1wup n HIS 79 Cb 0.14 -1.82 0.61 0.00 1.12 0.00 0.00 29.99 30.03 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 -1.73 0.00 -0.73 0.41 0.02 -1.94 -0.24 113.55 109.34 1wup h SER 80 Ca -0.45 0.00 0.21 0.00 -0.84 0.00 0.00 61.79 60.72 1wup h SER 80 Cb 1.29 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.80 1wup h SER 80 CO 0.37 0.17 0.53 -0.33 -1.14 0.00 0.00 176.83 176.43 1wup h GLU 81 N 0.00 0.00 0.00 3.45 5.08 -1.87 -0.16 114.58 121.07 1wup h GLU 81 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1wup h GLU 81 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1wup h GLU 81 CO 0.02 0.00 -1.11 0.43 -1.00 0.00 0.00 179.01 177.35 1wup n SER 82 N -4.28 4.14 0.14 1.42 7.64 -0.91 -4.41 113.62 117.36 1wup n SER 82 Ca 0.14 -0.01 0.09 0.00 1.01 0.00 0.00 58.87 60.10 1wup n SER 82 Cb 0.81 0.19 0.05 0.00 -1.01 0.00 0.00 64.21 64.24 1wup n SER 82 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1wup h THR 83 N 0.00 0.21 -0.08 0.44 1.35 -1.06 0.33 112.91 114.09 1wup h THR 83 Ca -0.04 -1.33 0.01 0.00 -0.55 0.00 0.00 66.41 64.49 1wup h THR 83 Cb 1.08 1.89 -0.01 0.00 -1.73 0.00 0.00 68.15 69.38 1wup h THR 83 CO -0.00 0.12 -0.04 0.61 -0.25 0.00 0.00 175.52 175.95 1wup n GLY 84 N 1.19 -0.19 1.16 5.82 0.00 -0.08 0.92 105.19 114.01 1wup n GLY 84 Ca 0.00 0.10 0.07 0.00 0.00 0.00 0.00 46.02 46.19 1wup n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wup n GLY 85 N -1.03 1.87 0.13 -0.02 0.00 -0.81 -4.29 105.19 101.03 1wup n GLY 85 Ca 0.01 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 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 2.96 1.10 -0.18 -0.61 2.04 0.23 0.46 117.51 123.52 1wup h ILE 86 Ca 0.00 -0.24 0.05 0.00 1.00 0.00 0.00 64.86 65.67 1wup h ILE 86 Cb 1.02 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 37.82 1wup h ILE 86 CO 0.13 0.10 -0.37 -0.08 0.00 0.00 0.00 178.15 177.93 1wup h GLU 87 N 0.32 -0.40 0.46 2.37 4.81 -1.75 0.49 114.58 120.88 1wup h GLU 87 Ca 0.09 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1wup h GLU 87 Cb 0.02 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1wup h GLU 87 CO -0.02 -0.27 -0.42 2.35 -0.73 0.00 0.00 179.01 179.92 1wup h TRP 88 N -0.42 -1.15 -0.73 0.92 7.01 -1.73 -0.03 115.95 119.81 1wup h TRP 88 Ca 0.10 0.01 0.14 0.00 2.11 0.00 0.00 58.89 61.24 1wup h TRP 88 Cb 0.59 0.44 -0.14 0.00 -2.10 0.00 0.00 29.16 27.95 1wup h TRP 88 CO -0.47 -0.59 -0.25 -0.07 -2.79 0.00 0.00 178.44 174.26 1wup h LEU 89 N -0.89 -0.91 -0.76 0.65 3.38 -0.29 0.64 115.31 117.13 1wup h LEU 89 Ca -0.05 0.24 0.06 0.00 0.09 0.00 0.00 57.88 58.22 1wup h LEU 89 Cb 0.78 0.53 -0.06 0.00 0.09 0.00 0.00 40.66 42.00 1wup h LEU 89 CO -0.04 -0.27 0.45 0.78 0.09 0.00 0.00 178.44 179.44 1wup h ASN 90 N -0.05 0.69 -0.58 -0.43 -0.26 0.32 0.18 115.58 115.45 1wup h ASN 90 Ca 0.33 0.02 0.11 0.00 -0.56 0.00 0.00 56.30 56.20 1wup h ASN 90 Cb 0.56 -0.12 -0.09 0.00 -1.06 0.00 0.00 38.32 37.62 1wup h ASN 90 CO -0.77 0.44 0.07 -1.28 -1.06 0.00 0.00 177.43 174.83 1wup h SER 91 N 0.82 -0.11 0.00 5.81 0.87 0.21 0.41 113.55 121.56 1wup h SER 91 Ca 0.34 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 1wup h SER 91 Cb 0.18 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1wup h SER 91 CO -0.18 -0.04 0.00 0.54 -0.53 0.00 0.00 176.83 176.62 1wup n ARG 92 N -5.19 0.94 -0.33 2.24 5.12 0.15 -4.86 116.66 114.73 1wup n ARG 92 Ca 0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 1wup n ARG 92 Cb 0.32 -1.35 0.00 0.00 -1.16 0.00 0.00 32.46 30.27 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 -0.85 0.00 -4.69 0.55 7.64 0.14 -4.97 113.62 111.44 1wup n SER 93 Ca 0.16 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.60 1wup n SER 93 Cb 0.07 -0.30 -0.04 0.00 -1.01 0.00 0.00 64.21 62.94 1wup n SER 93 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1wup n ILE 94 N -2.00 0.12 -1.71 0.44 5.41 -0.13 -4.90 119.36 116.59 1wup n ILE 94 Ca 0.00 -0.02 -0.41 0.00 1.00 0.00 0.00 62.75 63.32 1wup n ILE 94 Cb 0.00 -1.85 0.01 0.00 -0.71 0.00 0.00 39.64 37.09 1wup n ILE 94 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1wup n PRO 95 N 4.31 1.94 -3.96 0.38 -0.02 -1.25 -3.94 135.00 132.47 1wup n PRO 95 Ca 0.17 0.69 -0.23 0.00 -2.02 0.00 0.00 63.50 62.12 1wup n PRO 95 Cb 0.33 -2.40 -0.17 0.00 -0.02 0.00 0.00 33.50 31.24 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 -1.20 0.58 -0.16 3.45 -4.23 -1.26 -2.73 115.64 110.09 1wup s THR 96 Ca 0.61 -0.06 -0.05 0.00 -1.18 0.00 0.00 61.69 61.01 1wup s THR 96 Cb -0.50 -0.66 -0.03 0.00 1.34 0.00 0.00 72.50 72.64 1wup s THR 96 CO 0.58 0.27 0.02 -0.31 -0.54 0.00 0.00 174.62 174.64 1wup s TYR 97 N 1.52 3.16 0.01 3.99 1.51 -0.97 -0.58 117.35 125.98 1wup s TYR 97 Ca -0.01 -0.07 -0.02 0.00 -1.01 0.00 0.00 57.07 55.96 1wup s TYR 97 Cb -0.13 -2.01 -0.01 0.00 -0.11 0.00 0.00 41.96 39.71 1wup s TYR 97 CO -0.04 0.11 0.03 0.00 -1.11 0.00 0.00 175.55 174.54 1wup s ALA 98 N 0.25 -0.04 0.20 3.71 0.00 -0.27 -1.85 121.76 123.76 1wup s ALA 98 Ca 0.01 -0.28 -0.32 0.00 0.00 0.00 0.00 51.96 51.37 1wup s ALA 98 Cb -0.13 0.07 -0.11 0.00 0.00 0.00 0.00 23.12 22.95 1wup s ALA 98 CO 0.01 -0.13 1.64 0.45 0.00 0.00 0.00 175.76 177.73 1wup s SER 99 N -1.00 6.48 0.49 0.00 0.15 -1.26 -2.82 113.70 115.75 1wup s SER 99 Ca -0.11 2.75 0.43 0.00 0.70 0.00 0.00 55.95 59.72 1wup s SER 99 Cb -0.07 -2.60 1.57 0.00 -1.71 0.00 0.00 66.02 63.21 1wup s SER 99 CO -0.00 -0.89 1.46 1.21 1.20 0.00 0.00 173.24 176.22 1wup n GLU 100 N 3.81 -0.01 0.11 5.44 2.13 0.16 0.61 120.64 132.88 1wup n GLU 100 Ca 0.14 1.06 -0.07 0.00 0.66 0.00 0.00 57.16 58.95 1wup n GLU 100 Cb 0.37 -2.34 -0.04 0.00 0.27 0.00 0.00 31.44 29.70 1wup n GLU 100 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1wup h LEU 101 N 0.00 -0.30 -1.71 4.31 3.38 -1.87 -2.07 115.31 117.05 1wup h LEU 101 Ca 0.87 -0.08 0.53 0.00 0.09 0.00 0.00 57.88 59.28 1wup h LEU 101 Cb 3.31 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 44.03 1wup h LEU 101 CO -0.13 0.18 1.19 0.35 0.09 0.00 0.00 178.44 180.12 1wup n THR 102 N -5.01 -0.10 0.08 0.22 -2.24 0.20 0.81 114.28 108.24 1wup n THR 102 Ca -0.06 1.57 -0.23 0.00 -2.27 0.00 0.00 64.05 63.07 1wup n THR 102 Cb 0.19 -2.61 -0.15 0.00 -2.10 0.00 0.00 70.33 65.66 1wup n THR 102 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1wup h ASN 103 N 0.00 0.62 -0.86 3.42 2.35 -1.39 0.22 115.58 119.95 1wup h ASN 103 Ca 0.90 -0.92 0.05 0.00 -0.55 0.00 0.00 56.30 55.77 1wup h ASN 103 Cb 3.34 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 41.46 1wup h ASN 103 CO -0.18 1.70 0.56 -0.08 -1.65 0.00 0.00 177.43 177.78 1wup h GLU 104 N -0.01 1.00 -0.36 0.81 4.22 0.11 0.53 114.58 120.89 1wup h GLU 104 Ca -0.30 -0.06 -0.16 0.00 0.08 0.00 0.00 59.36 58.92 1wup h GLU 104 Cb 2.01 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 31.03 1wup h GLU 104 CO 0.18 0.66 -0.40 -0.07 -2.18 0.00 0.00 179.01 177.20 1wup h LEU 105 N 1.03 0.97 0.49 1.64 3.38 -0.51 -0.15 115.31 122.16 1wup h LEU 105 Ca 0.35 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1wup h LEU 105 Cb 0.10 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1wup h LEU 105 CO -0.11 1.25 -0.24 -0.07 0.09 0.00 0.00 178.44 179.36 1wup h LEU 106 N 0.71 -0.56 -0.27 1.67 3.38 0.40 -1.32 115.31 119.32 1wup h LEU 106 Ca 0.05 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1wup h LEU 106 Cb 1.00 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.82 1wup h LEU 106 CO 0.10 -0.19 -0.52 0.50 0.09 0.00 0.00 178.44 178.43 1wup h LYS 107 N -1.00 -0.45 0.00 1.13 3.64 -0.03 1.10 116.57 120.96 1wup h LYS 107 Ca -0.07 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1wup h LYS 107 Cb 0.60 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1wup h LYS 107 CO 0.11 -0.30 0.25 -0.22 -2.27 0.00 0.00 179.45 177.01 1wup h LYS 108 N -0.47 0.00 -0.51 1.90 3.64 -1.04 1.00 116.57 121.09 1wup h LYS 108 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1wup h LYS 108 Cb 0.63 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1wup h LYS 108 CO -0.51 0.00 0.00 -3.47 -2.27 0.00 0.00 179.45 173.20 1wup n ASP 109 N -2.79 3.44 -2.21 4.20 2.03 0.36 -4.95 116.55 116.63 1wup n ASP 109 Ca -0.02 -1.98 -0.19 0.00 0.52 0.00 0.00 54.79 53.12 1wup n ASP 109 Cb 0.29 -0.33 -0.00 0.00 -0.72 0.00 0.00 41.12 40.36 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 1.52 -0.39 3.81 0.27 0.00 0.34 -5.01 105.19 105.74 1wup n GLY 110 Ca 0.21 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 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 -5.05 2.74 0.24 1.61 -0.14 -0.75 -5.01 119.74 113.38 1wup s LYS 111 Ca 0.05 -1.23 -0.30 0.00 -1.36 0.00 0.00 55.97 53.14 1wup s LYS 111 Cb -0.02 -2.45 -0.09 0.00 -1.68 0.00 0.00 37.83 33.58 1wup s LYS 111 CO 0.07 0.26 1.24 0.08 -0.76 0.00 0.00 175.35 176.23 1wup s VAL 112 N -2.24 3.25 0.13 3.17 1.01 -1.26 -4.22 120.40 120.24 1wup s VAL 112 Ca 0.36 1.13 0.01 0.00 0.00 0.00 0.00 61.98 63.48 1wup s VAL 112 Cb -0.06 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1wup s VAL 112 CO 0.25 0.21 0.28 -1.10 0.00 0.00 0.00 175.10 174.74 1wup s GLN 113 N -0.79 3.46 0.31 2.72 -0.21 -1.26 -4.77 119.66 119.12 1wup s GLN 113 Ca 0.51 -0.49 -0.29 0.00 0.02 0.00 0.00 55.36 55.11 1wup s GLN 113 Cb -0.35 -2.97 -0.10 0.00 1.00 0.00 0.00 33.01 30.59 1wup s GLN 113 CO 0.42 0.53 1.32 0.00 -2.12 0.00 0.00 175.29 175.43 1wup s ALA 114 N -1.68 3.52 0.36 6.09 0.00 -1.26 -4.90 121.76 123.87 1wup s ALA 114 Ca 0.36 1.25 0.39 0.00 0.00 0.00 0.00 51.96 53.95 1wup s ALA 114 Cb -0.12 -3.49 1.89 0.00 0.00 0.00 0.00 23.12 21.41 1wup s ALA 114 CO 0.28 -0.64 2.16 1.79 0.00 0.00 0.00 175.76 179.36 1wup h THR 115 N 3.17 0.00 -3.27 0.00 1.35 -1.86 -3.41 112.91 108.89 1wup h THR 115 Ca -0.48 -0.23 -0.61 0.00 -0.55 0.00 0.00 66.41 64.54 1wup h THR 115 Cb 1.22 1.20 -0.36 0.00 -1.73 0.00 0.00 68.15 68.48 1wup h THR 115 CO 0.68 0.00 -0.82 0.20 -0.25 0.00 0.00 175.52 175.33 1wup s ASN 116 N -5.31 3.07 0.33 5.36 0.01 0.25 -4.95 114.94 113.71 1wup s ASN 116 Ca -0.02 -0.70 0.05 0.00 -0.71 0.00 0.00 52.86 51.48 1wup s ASN 116 Cb 0.11 -1.22 -0.01 0.00 0.41 0.00 0.00 41.25 40.53 1wup s ASN 116 CO 0.46 -0.10 0.48 -0.55 -1.51 0.00 0.00 177.10 175.87 1wup s SER 117 N 1.43 6.04 -0.10 -1.22 0.15 -1.26 -1.11 113.70 117.63 1wup s SER 117 Ca 0.02 -0.04 -0.30 0.00 0.70 0.00 0.00 55.95 56.33 1wup s SER 117 Cb -0.15 -1.44 0.11 0.00 -1.71 0.00 0.00 66.02 62.83 1wup s SER 117 CO -0.10 -0.38 0.91 0.72 1.20 0.00 0.00 173.24 175.59 1wup s PHE 118 N -2.19 -0.41 0.29 3.44 -0.12 -1.13 -4.88 117.98 112.98 1wup s PHE 118 Ca 0.43 0.61 0.06 0.00 -0.05 0.00 0.00 56.93 57.97 1wup s PHE 118 Cb -0.09 0.47 -0.02 0.00 -0.63 0.00 0.00 43.02 42.74 1wup s PHE 118 CO 0.32 -0.44 0.26 -1.13 -0.05 0.00 0.00 175.22 174.18 1wup n SER 119 N 0.50 -0.67 0.00 1.98 3.41 -1.26 -0.67 113.62 116.91 1wup n SER 119 Ca -0.11 -2.87 0.00 0.00 -0.26 0.00 0.00 58.87 55.62 1wup n SER 119 Cb 0.59 1.53 0.00 0.00 -0.26 0.00 0.00 64.21 66.06 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 -0.54 2.10 0.29 5.00 0.00 -1.26 -4.69 105.19 106.09 1wup n GLY 120 Ca 0.06 -1.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.00 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 1.27 -3.79 1.61 3.04 -1.92 -3.43 116.25 113.02 1wup h VAL 121 Ca 0.00 -1.33 -0.52 0.00 -1.01 0.00 0.00 66.70 63.84 1wup h VAL 121 Cb 0.00 1.04 -0.31 0.00 -2.01 0.00 0.00 31.29 30.01 1wup h VAL 121 CO 0.00 0.46 -0.82 0.54 -1.01 0.00 0.00 177.57 176.75 1wup s ASN 122 N -6.69 1.83 -0.02 3.17 2.20 -1.26 0.12 114.94 114.29 1wup s ASN 122 Ca -0.11 -0.30 0.01 0.00 -0.94 0.00 0.00 52.86 51.51 1wup s ASN 122 Cb 0.13 -0.56 0.02 0.00 -2.00 0.00 0.00 41.25 38.84 1wup s ASN 122 CO 0.87 0.11 -0.01 -0.47 -2.94 0.00 0.00 177.10 174.66 1wup s TYR 123 N 0.19 0.31 -0.41 1.54 6.14 0.05 -4.97 117.35 120.20 1wup s TYR 123 Ca -0.05 -0.02 -0.19 0.00 0.64 0.00 0.00 57.07 57.46 1wup s TYR 123 Cb -0.11 -0.36 0.01 0.00 0.42 0.00 0.00 41.96 41.92 1wup s TYR 123 CO 0.02 -0.10 0.52 -1.58 0.64 0.00 0.00 175.55 175.05 1wup s TRP 124 N 0.77 3.14 0.28 4.97 0.52 -1.26 0.96 118.94 128.32 1wup s TRP 124 Ca -0.08 -0.12 0.15 0.00 0.02 0.00 0.00 56.10 56.06 1wup s TRP 124 Cb -0.11 -3.04 0.63 0.00 -1.15 0.00 0.00 33.47 29.79 1wup s TRP 124 CO -0.01 -0.71 1.74 1.25 0.02 0.00 0.00 176.95 179.24 1wup h LEU 125 N 9.27 0.00 -7.23 2.99 5.85 -1.38 -3.41 115.31 121.40 1wup h LEU 125 Ca -0.27 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.25 1wup h LEU 125 Cb 1.11 0.00 -0.31 0.00 0.37 0.00 0.00 40.66 41.83 1wup h LEU 125 CO 0.82 0.44 -0.50 -0.69 -0.34 0.00 0.00 178.44 178.17 1wup s VAL 126 N -3.83 -0.34 0.00 1.05 1.01 -1.11 -4.95 120.40 112.23 1wup s VAL 126 Ca -0.01 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1wup s VAL 126 Cb 0.13 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1wup s VAL 126 CO 0.72 0.10 0.00 0.29 0.00 0.00 0.00 175.10 176.21 1wup n LYS 127 N 5.10 0.00 -0.07 2.72 4.76 -1.26 -1.43 118.16 127.98 1wup n LYS 127 Ca -0.11 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.35 1wup n LYS 127 Cb 0.50 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.72 1wup n LYS 127 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1wup n ASN 128 N -0.00 1.39 -0.06 4.39 3.02 -1.26 -4.88 115.26 117.86 1wup n ASN 128 Ca 0.00 -1.98 -0.12 0.00 -0.03 0.00 0.00 54.58 52.45 1wup n ASN 128 Cb 0.00 -0.11 -0.05 0.00 -0.61 0.00 0.00 39.78 39.02 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 -0.52 0.27 -3.85 3.52 5.02 -0.52 -4.59 118.16 117.49 1wup n LYS 129 Ca 0.03 0.10 -0.32 0.00 -2.02 0.00 0.00 58.31 56.10 1wup n LYS 129 Cb 0.43 -1.02 -0.12 0.00 -0.02 0.00 0.00 35.03 34.30 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 -2.23 3.11 0.25 -0.18 1.09 -1.06 -3.67 121.20 118.52 1wup s ILE 130 Ca -0.17 -3.33 -0.16 0.00 -1.10 0.00 0.00 60.65 55.89 1wup s ILE 130 Cb 0.06 -3.08 -0.08 0.00 -1.06 0.00 0.00 42.46 38.30 1wup s ILE 130 CO 0.23 -0.86 0.69 -0.70 -0.10 0.00 0.00 174.94 174.20 1wup s GLU 131 N -0.40 4.09 -0.26 2.79 2.12 -0.49 -0.95 118.70 125.61 1wup s GLU 131 Ca 0.18 0.70 0.00 0.00 0.36 0.00 0.00 54.97 56.22 1wup s GLU 131 Cb -0.21 -2.69 0.04 0.00 0.26 0.00 0.00 34.13 31.53 1wup s GLU 131 CO -0.03 0.30 -0.08 0.08 -0.54 0.00 0.00 175.26 174.99 1wup s VAL 132 N -1.72 2.52 -0.03 3.70 1.01 0.27 -0.13 120.40 126.03 1wup s VAL 132 Ca 0.47 -1.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 1wup s VAL 132 Cb -0.13 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1wup s VAL 132 CO 0.19 0.07 0.14 0.12 0.00 0.00 0.00 175.10 175.63 1wup s PHE 133 N 1.21 3.47 -0.47 5.22 5.36 0.36 -0.77 117.98 132.37 1wup s PHE 133 Ca -0.04 0.34 0.01 0.00 -0.96 0.00 0.00 56.93 56.27 1wup s PHE 133 Cb -0.18 -1.82 0.12 0.00 -0.34 0.00 0.00 43.02 40.80 1wup s PHE 133 CO -0.05 0.63 0.23 -0.47 -1.46 0.00 0.00 175.22 174.10 1wup s TYR 134 N -1.23 3.49 0.44 10.12 5.04 0.33 -1.36 117.35 134.19 1wup s TYR 134 Ca 0.24 -2.84 0.13 0.00 -2.44 0.00 0.00 57.07 52.16 1wup s TYR 134 Cb -0.12 -3.04 1.03 0.00 0.35 0.00 0.00 41.96 40.18 1wup s TYR 134 CO 0.15 -0.88 2.02 -1.35 -1.34 0.00 0.00 175.55 174.15 1wup h PRO 135 N 7.31 0.37 0.00 4.97 0.11 -1.86 -3.46 132.00 139.45 1wup h PRO 135 Ca -0.07 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1wup h PRO 135 Cb 0.98 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1wup h PRO 135 CO 0.65 0.25 0.00 0.41 -0.21 0.00 0.00 178.00 179.10 1wup n GLY 136 N -1.52 1.44 3.40 -0.55 0.00 -1.26 -4.36 105.19 102.35 1wup n GLY 136 Ca 0.07 -2.24 -0.44 0.00 0.00 0.00 0.00 46.02 43.40 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 -1.07 0.26 0.00 1.61 -0.02 -1.26 -4.80 135.00 129.72 1wup n PRO 137 Ca 0.00 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1wup n PRO 137 Cb 0.00 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 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 1.98 0.62 0.21 -1.23 0.00 -1.26 -3.61 105.19 101.89 1wup n GLY 138 Ca 0.14 0.39 0.08 0.00 0.00 0.00 0.00 46.02 46.62 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 0.00 -3.89 1.61 -0.00 -1.86 -1.50 115.15 109.51 1wup h HIS 139 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.26 1wup h HIS 139 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 27.41 27.29 1wup h HIS 139 CO 0.00 0.28 -0.29 0.99 -0.00 0.00 0.00 177.93 178.91 1wup s THR 140 N -3.93 0.04 -0.59 6.26 2.01 -1.19 -2.35 115.64 115.88 1wup s THR 140 Ca -0.01 -1.45 0.25 0.00 0.31 0.00 0.00 61.69 60.78 1wup s THR 140 Cb 0.12 -2.02 0.27 0.00 0.01 0.00 0.00 72.50 70.88 1wup s THR 140 CO 0.66 -0.17 1.64 -0.65 -0.69 0.00 0.00 174.62 175.41 1wup h PRO 141 N 2.46 0.00 0.00 4.92 0.11 -1.85 -3.30 132.00 134.34 1wup h PRO 141 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1wup h PRO 141 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1wup h PRO 141 CO 0.45 0.00 -0.84 -0.40 -0.21 0.00 0.00 178.00 177.00 1wup n ASP 142 N -2.57 0.82 -4.55 -2.05 3.85 -1.26 -4.14 116.55 106.66 1wup n ASP 142 Ca 0.05 -0.89 -0.54 0.00 -0.71 0.00 0.00 54.79 52.70 1wup n ASP 142 Cb 0.47 1.02 -0.06 0.00 -1.35 0.00 0.00 41.12 41.20 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 -1.42 0.84 -4.04 -1.12 2.04 -1.24 -4.71 115.26 105.61 1wup n ASN 143 Ca 0.03 1.14 -0.09 0.00 -0.44 0.00 0.00 54.58 55.22 1wup n ASN 143 Cb 0.27 -1.08 -0.11 0.00 -2.53 0.00 0.00 39.78 36.34 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 0.15 0.23 0.23 3.53 -7.23 0.13 -4.43 120.40 113.00 1wup s VAL 144 Ca 0.85 -1.34 0.08 0.00 -1.81 0.00 0.00 61.98 59.76 1wup s VAL 144 Cb -1.06 -0.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 1wup s VAL 144 CO 0.52 -0.71 0.01 0.68 -0.31 0.00 0.00 175.10 175.29 1wup s VAL 145 N -2.54 3.64 -0.17 1.32 -7.23 -0.46 -4.49 120.40 110.46 1wup s VAL 145 Ca -0.05 -1.66 -0.02 0.00 -1.81 0.00 0.00 61.98 58.44 1wup s VAL 145 Cb -0.02 -2.90 -0.01 0.00 0.56 0.00 0.00 36.38 34.01 1wup s VAL 145 CO -0.05 -0.26 -0.08 -0.69 -0.31 0.00 0.00 175.10 173.71 1wup s VAL 146 N -2.05 3.28 -0.20 1.32 1.01 -0.13 -0.49 120.40 123.15 1wup s VAL 146 Ca 0.30 -0.56 -0.15 0.00 0.00 0.00 0.00 61.98 61.57 1wup s VAL 146 Cb -0.08 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1wup s VAL 146 CO 0.20 0.48 0.36 0.86 0.00 0.00 0.00 175.10 177.00 1wup s TRP 147 N 0.85 3.38 -0.90 5.22 -0.00 0.81 0.28 118.94 128.59 1wup s TRP 147 Ca -0.02 0.58 -0.02 0.00 -0.00 0.00 0.00 56.10 56.64 1wup s TRP 147 Cb -0.15 -2.47 0.22 0.00 -0.00 0.00 0.00 33.47 31.07 1wup s TRP 147 CO 0.01 0.04 0.80 -0.51 -0.00 0.00 0.00 176.95 177.28 1wup s LEU 148 N 1.14 5.58 0.03 5.86 1.43 0.26 -1.39 118.68 131.59 1wup s LEU 148 Ca 0.18 -3.73 -0.06 0.00 -1.03 0.00 0.00 54.13 49.49 1wup s LEU 148 Cb -0.14 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 1wup s LEU 148 CO 0.07 -0.18 1.00 -2.65 0.23 0.00 0.00 176.35 174.82 1wup n PRO 149 N 2.33 -0.08 -0.26 1.29 -0.02 -1.24 -0.17 135.00 136.85 1wup n PRO 149 Ca 0.22 0.99 -0.00 0.00 -2.02 0.00 0.00 63.50 62.69 1wup n PRO 149 Cb 0.37 -1.48 0.07 0.00 -0.02 0.00 0.00 33.50 32.44 1wup n PRO 149 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1wup h GLU 150 N 0.00 -0.04 -0.00 -0.52 4.11 -1.85 0.32 114.58 116.60 1wup h GLU 150 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1wup h GLU 150 Cb 0.08 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1wup h GLU 150 CO -0.17 -0.03 -0.15 0.54 0.07 0.00 0.00 179.01 179.27 1wup n ARG 151 N -5.48 0.09 -3.32 1.06 5.12 -1.02 -4.92 116.66 108.19 1wup n ARG 151 Ca 0.09 -0.02 -0.22 0.00 -1.93 0.00 0.00 57.85 55.76 1wup n ARG 151 Cb 0.38 -1.50 0.06 0.00 -1.16 0.00 0.00 32.46 30.24 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 -1.43 -6.42 -4.50 5.56 5.02 0.11 -4.70 118.16 111.81 1wup n LYS 152 Ca 0.08 0.82 -0.32 0.00 -2.02 0.00 0.00 58.31 56.87 1wup n LYS 152 Cb 0.33 -5.68 -0.11 0.00 -0.02 0.00 0.00 35.03 29.55 1wup n LYS 152 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1wup s ILE 153 N -3.24 3.43 -0.04 -0.18 1.01 -0.83 0.13 121.20 121.48 1wup s ILE 153 Ca 0.45 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 60.24 1wup s ILE 153 Cb -0.20 -2.49 -0.00 0.00 0.01 0.00 0.00 42.46 39.78 1wup s ILE 153 CO 0.56 0.36 -0.14 -0.22 0.00 0.00 0.00 174.94 175.50 1wup s LEU 154 N -1.47 1.87 -0.35 2.97 2.96 0.13 0.92 118.68 125.71 1wup s LEU 154 Ca 0.17 -0.29 -0.15 0.00 -0.22 0.00 0.00 54.13 53.64 1wup s LEU 154 Cb -0.11 -0.81 -0.01 0.00 0.50 0.00 0.00 46.19 45.76 1wup s LEU 154 CO 0.07 0.12 0.32 0.12 -1.32 0.00 0.00 176.35 175.67 1wup s PHE 155 N 0.08 3.22 -1.59 5.38 5.36 0.14 0.42 117.98 130.99 1wup s PHE 155 Ca -0.03 -0.12 0.22 0.00 -0.96 0.00 0.00 56.93 56.04 1wup s PHE 155 Cb -0.10 -2.61 -0.03 0.00 -0.34 0.00 0.00 43.02 39.94 1wup s PHE 155 CO 0.01 -0.43 1.06 0.41 -1.46 0.00 0.00 175.22 174.82 1wup n GLY 156 N 5.02 -0.44 7.00 13.12 0.00 0.36 -0.95 105.19 129.30 1wup n GLY 156 Ca -0.10 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1wup n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wup n GLY 157 N 1.45 2.73 0.19 -0.02 0.00 -0.98 -0.01 105.19 108.55 1wup n GLY 157 Ca 0.07 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.10 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 0.71 0.23 -2.55 0.00 3.04 -0.82 -3.43 116.94 114.13 1wup h PHE 159 Ca 0.00 -0.17 -0.54 0.00 3.98 0.00 0.00 57.97 61.25 1wup h PHE 159 Cb 0.16 -0.01 -0.06 0.00 2.56 0.00 0.00 35.95 38.60 1wup h PHE 159 CO 0.05 1.21 1.13 0.42 -2.02 0.00 0.00 178.31 179.10 1wup s ILE 160 N -2.33 3.70 -0.63 1.41 -1.09 -1.18 -4.82 121.20 116.26 1wup s ILE 160 Ca -0.18 0.52 0.06 0.00 -2.23 0.00 0.00 60.65 58.81 1wup s ILE 160 Cb -0.00 -4.50 0.22 0.00 -1.58 0.00 0.00 42.46 36.60 1wup s ILE 160 CO 0.74 -1.33 0.63 0.29 -1.23 0.00 0.00 174.94 174.04 1wup n LYS 161 N 8.96 2.05 0.32 2.79 4.76 -1.26 -4.50 118.16 131.28 1wup n LYS 161 Ca 0.11 -4.42 0.17 0.00 -2.87 0.00 0.00 58.31 51.30 1wup n LYS 161 Cb 0.50 -2.14 0.90 0.00 -1.84 0.00 0.00 35.03 32.44 1wup n LYS 161 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1wup h PRO 162 N 4.58 0.00 -0.02 1.97 0.11 -1.85 -2.85 132.00 133.94 1wup h PRO 162 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1wup h PRO 162 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1wup h PRO 162 CO 0.75 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.20 1wup n TYR 163 N -3.01 0.03 0.00 0.65 0.53 -1.26 -4.68 117.16 109.42 1wup n TYR 163 Ca -0.02 -0.30 0.00 0.00 -1.02 0.00 0.00 57.90 56.56 1wup n TYR 163 Cb 0.33 -0.03 0.00 0.00 -1.03 0.00 0.00 39.34 38.61 1wup n TYR 163 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1wup n GLY 164 N -0.22 4.18 0.34 2.72 0.00 -1.07 -4.96 105.19 106.18 1wup n GLY 164 Ca 0.01 -0.44 0.17 0.00 0.00 0.00 0.00 46.02 45.76 1wup n GLY 164 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wup h LEU 165 N 0.00 0.00 0.00 0.99 3.38 -1.91 -3.43 115.31 114.34 1wup h LEU 165 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wup h LEU 165 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1wup h LEU 165 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1wup n GLY 166 N -1.22 -0.25 3.68 0.83 0.00 -1.26 -4.77 105.19 102.20 1wup n GLY 166 Ca -0.01 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 1wup n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wup s ASN 167 N -4.00 6.85 -0.47 1.61 2.20 -1.26 -4.90 114.94 114.97 1wup s ASN 167 Ca 0.00 2.05 0.03 0.00 -0.94 0.00 0.00 52.86 54.01 1wup s ASN 167 Cb 0.00 -2.55 0.63 0.00 -2.00 0.00 0.00 41.25 37.32 1wup s ASN 167 CO 0.00 -0.75 1.91 0.18 -2.94 0.00 0.00 177.10 175.50 1wup n LEU 168 N 5.81 6.78 -0.04 3.54 4.77 -1.26 -4.68 117.00 131.91 1wup n LEU 168 Ca 0.14 -3.64 -0.14 0.00 -0.03 0.00 0.00 56.01 52.34 1wup n LEU 168 Cb 0.44 -0.85 -0.08 0.00 -2.33 0.00 0.00 43.42 40.60 1wup n LEU 168 CO 0.59 1.09 0.57 1.23 -1.33 0.00 0.00 177.39 179.53 1wup h GLY 169 N 1.20 0.31 -1.89 -0.72 0.00 -1.90 -3.30 103.07 96.77 1wup h GLY 169 Ca 0.62 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.55 1wup h GLY 169 CO 1.14 0.31 0.01 1.22 0.00 0.00 0.00 176.54 179.22 1wup n ASP 170 N -4.58 3.78 -4.80 0.19 8.00 -1.26 -5.00 116.55 112.89 1wup n ASP 170 Ca -0.07 -3.16 -0.37 0.00 0.71 0.00 0.00 54.79 51.90 1wup n ASP 170 Cb 0.38 -0.58 -0.07 0.00 -0.02 0.00 0.00 41.12 40.83 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 -2.91 3.71 -0.93 2.24 0.00 -0.99 -3.17 121.76 119.71 1wup s ALA 171 Ca 0.44 -0.50 -0.16 0.00 0.00 0.00 0.00 51.96 51.75 1wup s ALA 171 Cb 0.36 -2.23 0.18 0.00 0.00 0.00 0.00 23.12 21.43 1wup s ALA 171 CO 0.08 0.34 1.01 1.21 0.00 0.00 0.00 175.76 178.39 1wup s ASN 172 N -0.31 6.79 0.24 0.00 3.84 -0.56 -4.88 114.94 120.06 1wup s ASN 172 Ca 0.16 -2.53 -0.05 0.00 0.21 0.00 0.00 52.86 50.65 1wup s ASN 172 Cb -0.13 -2.31 0.35 0.00 -0.55 0.00 0.00 41.25 38.62 1wup s ASN 172 CO 0.05 -0.77 1.83 0.40 -2.79 0.00 0.00 177.10 175.82 1wup h ILE 173 N 5.10 0.97 -0.63 -5.21 2.04 -1.94 -1.16 117.51 116.68 1wup h ILE 173 Ca 0.15 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.74 1wup h ILE 173 Cb 1.00 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1wup h ILE 173 CO 0.97 0.15 0.42 -0.33 0.00 0.00 0.00 178.15 179.36 1wup h GLU 174 N 0.85 0.80 -0.03 2.37 3.07 -1.92 -2.83 114.58 116.89 1wup h GLU 174 Ca 0.38 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 1wup h GLU 174 Cb 0.27 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1wup h GLU 174 CO -0.21 0.53 -0.14 0.00 -1.40 0.00 0.00 179.01 177.80 1wup n ALA 175 N -2.44 2.77 -0.10 3.43 0.00 -0.95 -4.45 120.51 118.78 1wup n ALA 175 Ca 0.07 -0.67 -0.10 0.00 0.00 0.00 0.00 53.44 52.73 1wup n ALA 175 Cb 0.06 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 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 4.02 0.48 0.43 0.00 2.91 -0.96 -0.44 115.95 122.39 1wup h TRP 176 Ca 0.00 -0.06 -0.01 0.00 1.13 0.00 0.00 58.89 59.96 1wup h TRP 176 Cb 0.92 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 29.41 1wup h TRP 176 CO 0.00 0.52 -0.45 -1.35 -1.03 0.00 0.00 178.44 176.13 1wup h PRO 177 N 0.31 -0.87 -0.97 2.65 0.11 -1.73 2.43 132.00 133.92 1wup h PRO 177 Ca 0.09 0.06 0.22 0.00 0.11 0.00 0.00 66.00 66.48 1wup h PRO 177 Cb 0.28 0.20 -0.09 0.00 0.11 0.00 0.00 31.00 31.50 1wup h PRO 177 CO 0.00 -0.58 0.62 0.87 -0.21 0.00 0.00 178.00 178.70 1wup h LYS 178 N -0.90 0.51 -0.08 1.05 1.79 -1.80 0.99 116.57 118.12 1wup h LYS 178 Ca -0.04 -0.03 -0.19 0.00 -2.18 0.00 0.00 60.65 58.21 1wup h LYS 178 Cb 0.80 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 31.35 1wup h LYS 178 CO -0.08 0.34 -0.69 0.77 -1.08 0.00 0.00 179.45 178.71 1wup h SER 179 N 0.53 0.75 -0.29 0.86 0.02 0.25 -2.08 113.55 113.59 1wup h SER 179 Ca 0.54 -0.67 0.03 0.00 -0.84 0.00 0.00 61.79 60.84 1wup h SER 179 Cb 1.17 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.45 1wup h SER 179 CO -0.28 1.31 0.12 0.00 -1.14 0.00 0.00 176.83 176.85 1wup h ALA 180 N 0.46 0.34 0.59 3.77 0.00 0.85 0.16 119.26 125.44 1wup h ALA 180 Ca -0.06 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1wup h ALA 180 Cb 1.34 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.12 1wup h ALA 180 CO 0.14 -0.27 -0.28 -0.22 0.00 0.00 0.00 179.25 178.61 1wup h LYS 181 N 0.27 -0.77 -0.79 0.00 3.64 0.70 0.68 116.57 120.30 1wup h LYS 181 Ca 0.13 0.05 0.19 0.00 -1.27 0.00 0.00 60.65 59.75 1wup h LYS 181 Cb 0.07 0.17 -0.13 0.00 -0.41 0.00 0.00 32.23 31.94 1wup h LYS 181 CO -0.11 -0.49 0.14 1.25 -2.27 0.00 0.00 179.45 177.97 1wup h LEU 182 N -0.85 -0.11 -0.07 5.20 5.85 -1.15 0.10 115.31 124.28 1wup h LEU 182 Ca -0.08 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1wup h LEU 182 Cb 0.63 0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.93 1wup h LEU 182 CO 0.13 -0.13 0.03 0.25 -0.34 0.00 0.00 178.44 178.38 1wup h LEU 183 N 0.19 0.10 -1.56 2.25 5.85 -0.29 -1.30 115.31 120.55 1wup h LEU 183 Ca 0.46 -0.19 0.10 0.00 0.84 0.00 0.00 57.88 59.09 1wup h LEU 183 Cb 0.86 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1wup h LEU 183 CO -0.61 0.26 0.43 0.50 -0.34 0.00 0.00 178.44 178.68 1wup h LYS 184 N -0.06 0.48 0.43 1.25 3.64 0.11 -0.58 116.57 121.85 1wup h LYS 184 Ca 0.02 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1wup h LYS 184 Cb 0.19 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1wup h LYS 184 CO -0.00 0.32 -0.21 0.77 -2.27 0.00 0.00 179.45 178.06 1wup h SER 185 N 0.50 -0.49 -0.63 4.20 0.02 -0.56 -2.54 113.55 114.05 1wup h SER 185 Ca 0.30 -0.05 0.09 0.00 -0.84 0.00 0.00 61.79 61.29 1wup h SER 185 Cb 0.51 0.13 -0.07 0.00 0.14 0.00 0.00 62.40 63.10 1wup h SER 185 CO -0.09 -0.06 0.25 0.50 -1.14 0.00 0.00 176.83 176.28 1wup h LYS 186 N -1.09 0.43 -1.66 3.45 1.63 -0.91 -3.27 116.57 115.15 1wup h LYS 186 Ca -0.06 -0.03 -0.59 0.00 -0.85 0.00 0.00 60.65 59.12 1wup h LYS 186 Cb 0.51 -0.10 -0.42 0.00 -0.60 0.00 0.00 32.23 31.63 1wup h LYS 186 CO 0.10 0.28 -0.69 0.66 -3.45 0.00 0.00 179.45 176.35 1wup n TYR 187 N -4.97 3.53 0.48 1.91 0.53 -0.25 -4.76 117.16 113.62 1wup n TYR 187 Ca 0.09 -3.26 0.12 0.00 -1.02 0.00 0.00 57.90 53.83 1wup n TYR 187 Cb 0.28 -0.17 0.25 0.00 -1.03 0.00 0.00 39.34 38.67 1wup n TYR 187 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 1wup h GLY 188 N 2.66 0.00 0.37 2.72 0.00 -1.50 -3.21 103.07 104.10 1wup h GLY 188 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1wup h GLY 188 CO 0.85 0.00 0.00 0.58 0.00 0.00 0.00 176.54 177.97 1wup n LYS 189 N -2.43 0.96 -1.91 4.80 2.85 -1.26 -4.82 118.16 116.35 1wup n LYS 189 Ca 0.04 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.89 1wup n LYS 189 Cb 0.46 -1.18 -0.02 0.00 -0.65 0.00 0.00 35.03 33.64 1wup n LYS 189 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wup s ALA 190 N -2.00 3.70 -0.08 0.58 0.00 -1.21 -4.93 121.76 117.81 1wup s ALA 190 Ca 0.17 1.43 0.15 0.00 0.00 0.00 0.00 51.96 53.70 1wup s ALA 190 Cb 0.08 -3.60 -0.22 0.00 0.00 0.00 0.00 23.12 19.38 1wup s ALA 190 CO 0.13 -0.84 0.59 1.63 0.00 0.00 0.00 175.76 177.27 1wup n LYS 191 N 2.56 0.64 -3.73 0.00 5.02 0.12 -3.18 118.16 119.58 1wup n LYS 191 Ca 0.08 0.22 -0.13 0.00 -2.02 0.00 0.00 58.31 56.46 1wup n LYS 191 Cb 0.39 -1.75 -0.14 0.00 -0.02 0.00 0.00 35.03 33.51 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 -5.90 0.48 -0.19 -0.35 1.43 -1.05 -4.40 118.68 108.70 1wup s LEU 192 Ca -0.05 0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 53.44 1wup s LEU 192 Cb 0.08 0.54 -0.01 0.00 0.03 0.00 0.00 46.19 46.83 1wup s LEU 192 CO 0.82 -0.17 -0.07 -0.69 0.23 0.00 0.00 176.35 176.48 1wup s VAL 193 N 1.35 3.25 -0.44 -1.59 1.01 -0.05 0.18 120.40 124.11 1wup s VAL 193 Ca -0.08 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 1wup s VAL 193 Cb -0.11 -2.45 0.09 0.00 0.00 0.00 0.00 36.38 33.91 1wup s VAL 193 CO -0.07 0.46 0.31 -0.69 0.00 0.00 0.00 175.10 175.10 1wup s VAL 194 N 1.15 4.46 0.80 2.92 1.01 0.17 -2.12 120.40 128.80 1wup s VAL 194 Ca 0.02 -1.39 -0.12 0.00 0.00 0.00 0.00 61.98 60.49 1wup s VAL 194 Cb -0.14 -3.75 0.07 0.00 0.00 0.00 0.00 36.38 32.55 1wup s VAL 194 CO -0.02 -0.57 1.10 -2.84 0.00 0.00 0.00 175.10 172.77 1wup s PRO 195 N 1.47 2.08 0.34 2.72 0.02 -1.26 -0.48 135.00 139.88 1wup s PRO 195 Ca 0.04 0.60 0.20 0.00 0.02 0.00 0.00 61.00 61.85 1wup s PRO 195 Cb -0.24 -1.92 0.19 0.00 0.02 0.00 0.00 34.50 32.55 1wup s PRO 195 CO 0.03 -1.62 1.46 1.03 -0.33 0.00 0.00 177.00 177.57 1wup h SER 196 N -1.08 0.00 0.00 2.53 0.87 0.10 -3.41 113.55 112.56 1wup h SER 196 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1wup h SER 196 Cb 1.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1wup h SER 196 CO 0.60 0.20 -0.01 1.41 -0.53 0.00 0.00 176.83 178.50 1wup n HIS 197 N -3.09 0.00 -2.07 2.24 8.25 -1.26 -1.47 115.22 117.81 1wup n HIS 197 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1wup n HIS 197 Cb 0.62 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.73 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 -0.14 0.00 -4.88 0.41 7.64 -1.26 -4.84 113.62 110.55 1wup n SER 198 Ca 0.00 -0.79 -0.23 0.00 1.01 0.00 0.00 58.87 58.87 1wup n SER 198 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 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 -1.44 2.24 0.11 1.43 2.02 -1.26 -4.75 118.70 117.05 1wup s GLU 199 Ca 0.00 -0.74 -0.28 0.00 0.02 0.00 0.00 54.97 53.97 1wup s GLU 199 Cb 0.00 -2.38 -0.06 0.00 0.10 0.00 0.00 34.13 31.79 1wup s GLU 199 CO 0.00 -1.02 0.87 0.08 0.02 0.00 0.00 175.26 175.21 1wup s VAL 200 N -2.97 4.52 0.00 2.63 1.01 -1.26 -4.44 120.40 119.90 1wup s VAL 200 Ca 0.60 1.88 0.00 0.00 0.00 0.00 0.00 61.98 64.46 1wup s VAL 200 Cb -0.09 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1wup s VAL 200 CO 0.41 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.50 1wup n GLY 201 N 2.15 5.70 1.60 4.51 0.00 -0.90 -4.96 105.19 113.28 1wup n GLY 201 Ca -0.01 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 1wup n GLY 201 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wup n ASP 202 N 0.00 1.70 0.00 1.61 5.68 -1.26 -0.87 116.55 123.41 1wup n ASP 202 Ca 0.00 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.50 1wup n ASP 202 Cb 0.00 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 1wup n ASP 202 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wup n ALA 203 N -2.53 0.44 0.12 2.12 0.00 -1.19 -1.47 120.51 118.00 1wup n ALA 203 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 1wup n ALA 203 Cb 0.26 -0.43 0.23 0.00 0.00 0.00 0.00 19.45 19.51 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 0.17 -0.90 0.00 4.64 -1.93 -2.67 113.55 112.86 1wup h SER 204 Ca 0.00 -0.08 0.19 0.00 -0.47 0.00 0.00 61.79 61.44 1wup h SER 204 Cb 0.54 -0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 62.51 1wup h SER 204 CO 0.00 0.61 0.59 -0.07 -0.87 0.00 0.00 176.83 177.09 1wup h LEU 205 N 0.13 0.46 -0.31 5.97 3.38 -1.65 0.36 115.31 123.65 1wup h LEU 205 Ca 0.01 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.05 1wup h LEU 205 Cb 0.86 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1wup h LEU 205 CO 0.07 0.19 0.14 -0.07 0.09 0.00 0.00 178.44 178.85 1wup h LEU 206 N 0.46 0.18 0.06 1.67 3.38 -1.69 1.14 115.31 120.51 1wup h LEU 206 Ca 0.47 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.46 1wup h LEU 206 Cb 1.09 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1wup h LEU 206 CO -0.19 0.14 -0.03 0.50 0.09 0.00 0.00 178.44 178.95 1wup h LYS 207 N 0.29 -0.07 -0.31 1.13 3.64 -0.52 -0.77 116.57 119.95 1wup h LYS 207 Ca 0.13 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.59 1wup h LYS 207 Cb 0.07 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.83 1wup h LYS 207 CO -0.11 0.20 -0.22 -0.07 -2.27 0.00 0.00 179.45 176.99 1wup h LEU 208 N -0.35 -0.73 -0.35 5.20 3.38 -0.47 0.85 115.31 122.85 1wup h LEU 208 Ca -0.01 0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.18 1wup h LEU 208 Cb 0.31 0.36 -0.08 0.00 0.09 0.00 0.00 40.66 41.34 1wup h LEU 208 CO 0.01 -0.25 -0.28 0.74 0.09 0.00 0.00 178.44 178.75 1wup h THR 209 N -0.19 0.31 -0.77 0.22 2.02 0.15 0.20 112.91 114.84 1wup h THR 209 Ca 0.16 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.43 1wup h THR 209 Cb 0.44 0.31 -0.07 0.00 -1.74 0.00 0.00 68.15 67.09 1wup h THR 209 CO -0.43 0.00 0.43 0.25 0.37 0.00 0.00 175.52 176.14 1wup h LEU 210 N -0.23 0.61 0.25 2.58 5.85 0.54 1.15 115.31 126.05 1wup h LEU 210 Ca 0.17 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1wup h LEU 210 Cb 0.50 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1wup h LEU 210 CO -0.48 0.36 -0.28 -0.33 -0.34 0.00 0.00 178.44 177.37 1wup h GLU 211 N 0.73 -0.55 -0.13 1.25 5.08 0.36 0.12 114.58 121.44 1wup h GLU 211 Ca 0.37 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.75 1wup h GLU 211 Cb 0.33 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1wup h GLU 211 CO -0.24 -0.37 0.03 1.96 -1.00 0.00 0.00 179.01 179.39 1wup h GLN 212 N -0.57 0.21 -1.20 2.33 7.50 -0.60 -0.11 115.11 122.67 1wup h GLN 212 Ca -0.00 -0.05 0.44 0.00 0.50 0.00 0.00 58.65 59.54 1wup h GLN 212 Cb 0.54 -0.03 -0.15 0.00 0.05 0.00 0.00 27.48 27.89 1wup h GLN 212 CO -0.08 0.37 0.73 0.00 -1.50 0.00 0.00 178.83 178.36 1wup n ALA 213 N -2.26 1.20 -0.06 3.87 0.00 0.39 -0.63 120.51 123.03 1wup n ALA 213 Ca -0.05 0.90 -0.06 0.00 0.00 0.00 0.00 53.44 54.23 1wup n ALA 213 Cb 0.16 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 1wup n ALA 213 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1wup h VAL 214 N 0.00 0.39 -0.56 0.00 -1.51 0.02 -3.10 116.25 111.49 1wup h VAL 214 Ca 0.84 -1.34 -0.57 0.00 -1.23 0.00 0.00 66.70 64.41 1wup h VAL 214 Cb 2.53 0.78 -0.05 0.00 -2.13 0.00 0.00 31.29 32.42 1wup h VAL 214 CO -0.57 0.13 1.95 1.17 -1.23 0.00 0.00 177.57 179.02 1wup n LYS 215 N -4.68 2.49 0.01 5.19 4.81 0.20 0.12 118.16 126.30 1wup n LYS 215 Ca -0.07 -2.81 0.00 0.00 -0.87 0.00 0.00 58.31 54.56 1wup n LYS 215 Cb 0.21 -3.50 0.00 0.00 0.02 0.00 0.00 35.03 31.76 1wup n LYS 215 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wup n GLY 216 N 5.31 -0.39 0.00 3.14 0.00 -1.06 -4.67 105.19 107.52 1wup n GLY 216 Ca 0.48 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1wup n GLY 216 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wup n LEU 217 N -2.27 0.00 -4.08 0.99 7.94 0.31 -3.36 117.00 116.53 1wup n LEU 217 Ca 0.00 0.47 -0.43 0.00 -1.11 0.00 0.00 56.01 54.94 1wup n LEU 217 Cb 0.00 -0.47 0.00 0.00 0.53 0.00 0.00 43.42 43.49 1wup n LEU 217 CO 0.00 -0.47 2.31 0.59 -1.11 0.00 0.00 177.39 178.71 1wup n ASN 218 N -1.46 4.42 0.00 1.96 4.13 -0.85 -4.95 115.26 118.51 1wup n ASN 218 Ca 0.00 -2.90 0.00 0.00 1.68 0.00 0.00 54.58 53.36 1wup n ASN 218 Cb 0.01 -1.67 0.00 0.00 -1.54 0.00 0.00 39.78 36.58 1wup n ASN 218 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92