#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 0.80 -1.65 1.96 -0.02 -1.26 -4.96 135.00 129.87 1wup n PRO 5 Ca 0.00 0.29 -0.31 0.00 -2.02 0.00 0.00 63.50 61.45 1wup n PRO 5 Cb 0.00 -1.58 0.04 0.00 -0.02 0.00 0.00 33.50 31.94 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 -0.81 5.54 0.56 2.55 1.11 -1.26 -4.61 116.67 119.75 1wup s ASP 6 Ca 0.62 1.60 -0.20 0.00 0.18 0.00 0.00 52.55 54.75 1wup s ASP 6 Cb -0.68 -2.49 -0.04 0.00 1.07 0.00 0.00 42.92 40.77 1wup s ASP 6 CO 0.58 -1.34 1.25 -0.22 1.18 0.00 0.00 175.17 176.63 1wup s LEU 7 N -5.40 3.78 -0.07 1.23 2.96 -1.26 -4.83 118.68 115.08 1wup s LEU 7 Ca 0.58 2.51 0.02 0.00 -0.22 0.00 0.00 54.13 57.02 1wup s LEU 7 Cb -0.14 -4.44 0.01 0.00 0.50 0.00 0.00 46.19 42.13 1wup s LEU 7 CO 0.53 -1.50 -0.13 -0.54 -1.32 0.00 0.00 176.35 173.39 1wup s LYS 8 N -3.09 1.77 -0.26 1.98 1.02 -1.01 -4.95 119.74 115.20 1wup s LYS 8 Ca 0.74 -0.43 0.01 0.00 0.02 0.00 0.00 55.97 56.31 1wup s LYS 8 Cb -0.34 -1.48 0.07 0.00 -0.52 0.00 0.00 37.83 35.56 1wup s LYS 8 CO 0.38 0.01 -0.04 0.42 -0.92 0.00 0.00 175.35 175.20 1wup s ILE 9 N 0.74 1.69 -0.10 2.17 -1.09 -1.26 0.67 121.20 124.00 1wup s ILE 9 Ca -0.13 -1.46 0.03 0.00 -2.23 0.00 0.00 60.65 56.86 1wup s ILE 9 Cb -0.16 -1.99 0.01 0.00 -1.58 0.00 0.00 42.46 38.75 1wup s ILE 9 CO 0.03 -0.20 -0.20 -1.61 -1.23 0.00 0.00 174.94 171.73 1wup s GLU 10 N 1.30 2.62 0.43 2.79 2.02 -1.17 -4.94 118.70 121.75 1wup s GLU 10 Ca -0.03 -0.72 -0.26 0.00 0.02 0.00 0.00 54.97 53.98 1wup s GLU 10 Cb -0.19 -2.08 -0.09 0.00 0.10 0.00 0.00 34.13 31.87 1wup s GLU 10 CO -0.08 0.06 1.45 1.17 0.02 0.00 0.00 175.26 177.88 1wup n LYS 11 N 3.85 2.37 -0.04 1.61 4.81 -1.26 -0.46 118.16 129.04 1wup n LYS 11 Ca -0.20 0.84 -0.09 0.00 -0.87 0.00 0.00 58.31 58.00 1wup n LYS 11 Cb 0.52 -2.64 -0.03 0.00 0.02 0.00 0.00 35.03 32.90 1wup n LYS 11 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1wup n LEU 12 N -0.01 1.39 0.00 3.14 7.94 -0.08 -4.78 117.00 124.61 1wup n LEU 12 Ca 0.04 0.22 -0.08 0.00 -1.11 0.00 0.00 56.01 55.08 1wup n LEU 12 Cb 0.41 -0.52 -0.03 0.00 0.53 0.00 0.00 43.42 43.81 1wup n LEU 12 CO 0.61 -0.23 -0.04 -0.67 -1.11 0.00 0.00 177.39 175.94 1wup n ASP 13 N -3.90 -0.30 -4.65 1.96 -0.08 -0.96 -5.05 116.55 103.56 1wup n ASP 13 Ca -0.15 -1.93 -0.42 0.00 -1.51 0.00 0.00 54.79 50.78 1wup n ASP 13 Cb 0.42 0.71 -0.03 0.00 2.34 0.00 0.00 41.12 44.57 1wup n ASP 13 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1wup s GLU 14 N -2.57 4.02 -1.34 -0.67 -6.30 -1.26 -2.47 118.70 108.10 1wup s GLU 14 Ca 0.17 2.38 0.00 0.00 -2.50 0.00 0.00 54.97 55.02 1wup s GLU 14 Cb 0.01 -4.13 0.00 0.00 0.00 0.00 0.00 34.13 30.01 1wup s GLU 14 CO 0.12 -1.07 0.00 0.41 0.02 0.00 0.00 175.26 174.74 1wup n GLY 15 N 4.57 0.46 3.02 -1.50 0.00 -1.26 -4.95 105.19 105.53 1wup n GLY 15 Ca 0.20 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.64 -0.52 0.31 1.61 0.11 -1.03 0.59 120.40 118.82 1wup s VAL 16 Ca 0.00 0.10 0.08 0.00 -2.93 0.00 0.00 61.98 59.23 1wup s VAL 16 Cb 0.00 -0.64 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 1wup s VAL 16 CO 0.00 -0.01 0.19 -0.31 -3.33 0.00 0.00 175.10 171.64 1wup s TYR 17 N 2.50 2.87 -0.49 1.54 1.51 -0.18 -0.90 117.35 124.19 1wup s TYR 17 Ca 0.04 -0.27 0.03 0.00 -1.01 0.00 0.00 57.07 55.87 1wup s TYR 17 Cb -0.13 -1.58 0.13 0.00 -0.11 0.00 0.00 41.96 40.27 1wup s TYR 17 CO -0.12 0.37 0.23 0.08 -1.11 0.00 0.00 175.55 175.00 1wup s VAL 18 N -2.30 2.62 0.27 0.71 1.01 0.40 -1.29 120.40 121.82 1wup s VAL 18 Ca 0.37 -3.10 -0.29 0.00 0.00 0.00 0.00 61.98 58.95 1wup s VAL 18 Cb -0.05 -2.83 -0.09 0.00 0.00 0.00 0.00 36.38 33.40 1wup s VAL 18 CO 0.24 -0.77 1.13 -1.38 0.00 0.00 0.00 175.10 174.33 1wup s HIS 19 N -0.03 3.51 -0.26 5.22 -3.43 -1.15 -3.02 115.29 116.13 1wup s HIS 19 Ca 0.16 1.63 -0.01 0.00 -0.80 0.00 0.00 55.06 56.04 1wup s HIS 19 Cb -0.24 -3.34 0.08 0.00 -1.43 0.00 0.00 32.58 27.64 1wup s HIS 19 CO -0.02 -0.77 0.04 0.99 -2.00 0.00 0.00 174.74 172.99 1wup s THR 20 N -0.99 1.01 0.36 -5.38 2.01 0.21 -0.31 115.64 112.56 1wup s THR 20 Ca 0.46 -1.18 0.02 0.00 0.31 0.00 0.00 61.69 61.30 1wup s THR 20 Cb -0.33 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 1wup s THR 20 CO 0.42 -0.41 0.55 -0.94 -0.69 0.00 0.00 174.62 173.55 1wup s SER 21 N 1.59 6.14 -0.05 3.53 1.04 -0.64 -2.41 113.70 122.90 1wup s SER 21 Ca 0.03 0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.77 1wup s SER 21 Cb -0.18 -1.79 0.02 0.00 0.10 0.00 0.00 66.02 64.17 1wup s SER 21 CO -0.15 -0.40 -0.05 -0.36 0.98 0.00 0.00 173.24 173.26 1wup s PHE 22 N -2.33 0.87 -0.03 5.02 0.40 -1.26 0.92 117.98 121.56 1wup s PHE 22 Ca 0.42 -0.27 0.02 0.00 -0.60 0.00 0.00 56.93 56.50 1wup s PHE 22 Cb -0.10 -0.75 0.01 0.00 0.51 0.00 0.00 43.02 42.69 1wup s PHE 22 CO 0.35 -0.22 -0.08 -2.00 0.70 0.00 0.00 175.22 173.97 1wup s GLU 23 N 0.97 0.95 -1.32 0.44 2.56 -1.15 -4.87 118.70 116.28 1wup s GLU 23 Ca -0.10 -0.25 -0.18 0.00 0.00 0.00 0.00 54.97 54.44 1wup s GLU 23 Cb -0.14 -0.89 0.07 0.00 2.00 0.00 0.00 34.13 35.16 1wup s GLU 23 CO 0.00 0.05 1.80 -1.91 -0.56 0.00 0.00 175.26 174.65 1wup n GLU 24 N 3.52 3.15 -0.11 4.30 2.13 -1.26 -2.58 120.64 129.78 1wup n GLU 24 Ca -0.20 -3.19 -0.01 0.00 0.66 0.00 0.00 57.16 54.41 1wup n GLU 24 Cb 0.53 -3.47 0.03 0.00 0.27 0.00 0.00 31.44 28.79 1wup n GLU 24 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1wup n VAL 25 N 6.24 0.92 -2.06 6.31 0.24 -1.20 -4.80 118.33 123.97 1wup n VAL 25 Ca 0.49 -0.17 -0.08 0.00 -2.04 0.00 0.00 64.34 62.54 1wup n VAL 25 Cb 0.45 -0.80 -0.01 0.00 -1.47 0.00 0.00 33.84 32.01 1wup n VAL 25 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1wup n ASN 26 N 0.25 -2.58 -4.22 -1.34 0.23 -1.12 -4.92 115.26 101.56 1wup n ASN 26 Ca 0.05 0.27 -0.36 0.00 -0.53 0.00 0.00 54.58 54.01 1wup n ASN 26 Cb 0.53 -2.36 -0.13 0.00 -2.08 0.00 0.00 39.78 35.74 1wup n ASN 26 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1wup s GLY 27 N -1.90 1.77 -2.03 4.83 0.00 -1.26 -4.21 107.32 104.52 1wup s GLY 27 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.03 1wup s GLY 27 CO 0.00 0.69 0.00 1.87 0.00 0.00 0.00 173.10 175.66 1wup n TRP 28 N 4.71 -0.38 0.00 1.90 -0.00 -1.26 -4.33 117.44 118.08 1wup n TRP 28 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.37 1wup n TRP 28 Cb 0.45 -3.64 0.00 0.00 -0.00 0.00 0.00 31.31 28.11 1wup n TRP 28 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1wup n GLY 29 N -0.66 1.72 3.72 5.87 0.00 -1.26 -4.65 105.19 109.93 1wup n GLY 29 Ca -0.22 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 4.83 -0.06 1.61 1.01 -1.26 -2.79 120.40 123.74 1wup s VAL 30 Ca 0.00 1.81 0.05 0.00 0.00 0.00 0.00 61.98 63.84 1wup s VAL 30 Cb 0.00 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1wup s VAL 30 CO 0.00 0.25 -0.21 0.68 0.00 0.00 0.00 175.10 175.82 1wup s VAL 31 N 0.58 2.39 -0.61 2.92 -7.23 -1.07 -4.97 120.40 112.42 1wup s VAL 31 Ca 0.45 -0.95 -0.26 0.00 -1.81 0.00 0.00 61.98 59.41 1wup s VAL 31 Cb -0.20 -1.90 0.04 0.00 0.56 0.00 0.00 36.38 34.88 1wup s VAL 31 CO 0.25 0.57 1.08 -2.84 -0.31 0.00 0.00 175.10 173.85 1wup s PRO 32 N -0.27 3.34 -0.51 4.82 0.02 -1.26 -2.95 135.00 138.19 1wup s PRO 32 Ca 0.00 -0.16 -0.23 0.00 0.02 0.00 0.00 61.00 60.63 1wup s PRO 32 Cb -0.13 -4.08 0.04 0.00 0.02 0.00 0.00 34.50 30.35 1wup s PRO 32 CO 0.03 -1.70 0.84 0.21 -0.33 0.00 0.00 177.00 176.05 1wup s LYS 33 N 4.59 3.32 -0.02 5.54 2.47 0.26 -4.02 119.74 131.88 1wup s LYS 33 Ca 0.34 -0.32 -0.27 0.00 -1.56 0.00 0.00 55.97 54.17 1wup s LYS 33 Cb -0.11 -4.03 -0.04 0.00 -1.46 0.00 0.00 37.83 32.20 1wup s LYS 33 CO 0.19 -1.33 0.85 -1.01 0.16 0.00 0.00 175.35 174.21 1wup s HIS 34 N 3.54 3.64 0.00 4.03 3.76 0.13 -1.61 115.29 128.77 1wup s HIS 34 Ca 0.28 1.50 0.00 0.00 -0.15 0.00 0.00 55.06 56.68 1wup s HIS 34 Cb -0.13 -2.96 0.00 0.00 1.11 0.00 0.00 32.58 30.59 1wup s HIS 34 CO 0.19 0.06 0.00 0.41 -0.85 0.00 0.00 174.74 174.55 1wup n GLY 35 N 2.93 4.76 3.18 -2.22 0.00 0.57 -4.70 105.19 109.71 1wup n GLY 35 Ca 0.02 -1.91 -0.11 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 1.30 -0.31 0.99 1.43 -0.76 -2.92 118.68 118.41 1wup s LEU 36 Ca 0.00 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1wup s LEU 36 Cb 0.00 0.97 0.09 0.00 0.03 0.00 0.00 46.19 47.29 1wup s LEU 36 CO 0.00 -0.52 0.06 -0.69 0.23 0.00 0.00 176.35 175.43 1wup s VAL 37 N -2.22 1.53 -0.12 -1.59 1.01 -0.41 0.84 120.40 119.45 1wup s VAL 37 Ca -0.08 -1.76 -0.26 0.00 0.00 0.00 0.00 61.98 59.88 1wup s VAL 37 Cb -0.03 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1wup s VAL 37 CO -0.02 -0.57 0.85 -0.69 0.00 0.00 0.00 175.10 174.68 1wup s VAL 38 N 1.30 4.89 -0.62 2.92 1.01 -0.41 -1.01 120.40 128.48 1wup s VAL 38 Ca 0.08 1.72 -0.12 0.00 0.00 0.00 0.00 61.98 63.66 1wup s VAL 38 Cb -0.18 -4.17 0.16 0.00 0.00 0.00 0.00 36.38 32.19 1wup s VAL 38 CO -0.16 0.08 0.53 -0.76 0.00 0.00 0.00 175.10 174.80 1wup s LEU 39 N 1.74 6.14 0.00 3.92 1.43 0.20 0.36 118.68 132.46 1wup s LEU 39 Ca 0.41 -2.20 0.00 0.00 -1.03 0.00 0.00 54.13 51.32 1wup s LEU 39 Cb -0.18 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.92 1wup s LEU 39 CO 0.16 -0.68 0.70 0.52 0.23 0.00 0.00 176.35 177.28 1wup n VAL 40 N 4.61 0.00 0.00 -1.59 0.31 0.59 -4.77 118.33 117.48 1wup n VAL 40 Ca -0.02 1.20 0.00 0.00 -0.01 0.00 0.00 64.34 65.51 1wup n VAL 40 Cb 0.42 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 1wup n VAL 40 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1wup n ASN 41 N -1.57 0.00 -0.34 4.52 6.94 -1.26 -4.88 115.26 118.66 1wup n ASN 41 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 54.58 54.62 1wup n ASN 41 Cb 0.00 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 37.44 1wup n ASN 41 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wup n ALA 42 N -2.48 2.77 -2.58 -2.53 0.00 -1.26 -4.97 120.51 109.47 1wup n ALA 42 Ca 0.00 -0.51 -0.32 0.00 0.00 0.00 0.00 53.44 52.61 1wup n ALA 42 Cb 0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.34 2.45 0.06 0.00 2.02 -1.26 -2.35 118.70 118.28 1wup s GLU 43 Ca 0.11 -0.78 0.07 0.00 0.02 0.00 0.00 54.97 54.39 1wup s GLU 43 Cb 0.10 -2.44 -0.03 0.00 0.10 0.00 0.00 34.13 31.85 1wup s GLU 43 CO 0.25 0.59 -0.18 0.00 0.02 0.00 0.00 175.26 175.93 1wup s ALA 44 N -1.01 2.62 -0.13 5.21 0.00 0.12 -0.30 121.76 128.28 1wup s ALA 44 Ca 0.17 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1wup s ALA 44 Cb -0.11 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.30 1wup s ALA 44 CO 0.08 0.58 -0.14 0.71 0.00 0.00 0.00 175.76 176.99 1wup s TYR 45 N -0.97 2.00 -0.39 0.00 1.51 0.16 -1.77 117.35 117.89 1wup s TYR 45 Ca 0.15 -1.04 -0.28 0.00 -1.01 0.00 0.00 57.07 54.89 1wup s TYR 45 Cb -0.11 -1.48 0.02 0.00 -0.11 0.00 0.00 41.96 40.29 1wup s TYR 45 CO 0.06 -0.58 1.04 -0.51 -1.11 0.00 0.00 175.55 174.46 1wup s LEU 46 N 1.33 3.87 -0.45 -1.29 1.43 0.35 -1.29 118.68 122.62 1wup s LEU 46 Ca 0.01 0.69 -0.19 0.00 -1.03 0.00 0.00 54.13 53.61 1wup s LEU 46 Cb -0.14 -3.44 0.03 0.00 0.03 0.00 0.00 46.19 42.68 1wup s LEU 46 CO -0.07 -0.99 0.55 -0.63 0.23 0.00 0.00 176.35 175.45 1wup s ILE 47 N 3.83 4.95 0.23 -0.59 1.09 0.25 0.17 121.20 131.13 1wup s ILE 47 Ca 0.43 -0.26 0.00 0.00 -1.10 0.00 0.00 60.65 59.73 1wup s ILE 47 Cb -0.11 -4.17 0.00 0.00 -1.06 0.00 0.00 42.46 37.13 1wup s ILE 47 CO 0.22 -0.59 0.00 0.47 -0.10 0.00 0.00 174.94 174.94 1wup n ASP 48 N 5.96 -3.38 -4.20 3.58 9.92 0.78 -1.83 116.55 127.38 1wup n ASP 48 Ca -0.05 0.73 -0.25 0.00 -0.53 0.00 0.00 54.79 54.68 1wup n ASP 48 Cb 0.47 -1.40 -0.15 0.00 -0.64 0.00 0.00 41.12 39.40 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 -4.46 1.49 0.95 -3.53 -4.23 -1.10 -4.67 115.64 100.10 1wup s THR 49 Ca 0.00 -0.90 -0.15 0.00 -1.18 0.00 0.00 61.69 59.47 1wup s THR 49 Cb 0.00 -1.26 -0.04 0.00 1.34 0.00 0.00 72.50 72.54 1wup s THR 49 CO 0.00 0.35 -0.06 -2.65 -0.54 0.00 0.00 174.62 171.71 1wup n PRO 50 N 2.41 -0.15 0.02 3.99 -0.02 -1.26 -3.72 135.00 136.26 1wup n PRO 50 Ca -0.16 -0.02 0.07 0.00 -2.02 0.00 0.00 63.50 61.37 1wup n PRO 50 Cb 0.54 -1.52 0.30 0.00 -0.02 0.00 0.00 33.50 32.80 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 -3.10 0.12 -4.50 6.00 3.01 -1.24 -2.84 117.46 114.90 1wup n PHE 51 Ca 0.03 0.05 -0.29 0.00 1.01 0.00 0.00 57.45 58.25 1wup n PHE 51 Cb 0.54 -0.58 -0.13 0.00 -0.01 0.00 0.00 39.48 39.30 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 -3.05 2.42 0.08 4.37 2.01 -1.26 -4.42 115.64 115.79 1wup s THR 52 Ca 0.06 -1.57 -0.20 0.00 0.31 0.00 0.00 61.69 60.28 1wup s THR 52 Cb 0.08 -2.05 -0.10 0.00 0.01 0.00 0.00 72.50 70.44 1wup s THR 52 CO 0.25 0.17 1.59 0.00 -0.69 0.00 0.00 174.62 175.94 1wup h ALA 53 N 4.10 0.24 -0.36 7.40 0.00 -1.85 -1.31 119.26 127.47 1wup h ALA 53 Ca -0.49 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.32 1wup h ALA 53 Cb 1.16 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1wup h ALA 53 CO 0.42 -0.13 -0.31 -0.22 0.00 0.00 0.00 179.25 179.01 1wup h LYS 54 N 0.12 -0.12 -0.54 0.00 3.11 -1.95 1.31 116.57 118.51 1wup h LYS 54 Ca 0.06 0.01 0.06 0.00 -2.81 0.00 0.00 60.65 57.97 1wup h LYS 54 Cb 0.24 0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.46 1wup h LYS 54 CO -0.00 -0.08 0.36 -0.44 -2.81 0.00 0.00 179.45 176.48 1wup h ASP 55 N -0.12 0.41 -0.45 4.20 3.45 -1.94 0.67 116.42 122.63 1wup h ASP 55 Ca 0.06 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.46 1wup h ASP 55 Cb 0.28 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 38.95 1wup h ASP 55 CO -0.41 0.27 0.05 0.74 -1.57 0.00 0.00 179.24 178.33 1wup h THR 56 N 0.47 1.25 -0.27 0.35 2.02 0.73 0.67 112.91 118.14 1wup h THR 56 Ca 0.23 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 1wup h THR 56 Cb 0.32 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1wup h THR 56 CO -0.06 0.33 0.12 -0.08 0.37 0.00 0.00 175.52 176.19 1wup h GLU 57 N 0.62 0.39 0.83 6.66 4.57 0.38 0.42 114.58 128.46 1wup h GLU 57 Ca 0.14 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 1wup h GLU 57 Cb 0.41 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1wup h GLU 57 CO 0.01 0.40 -0.40 0.87 -1.18 0.00 0.00 179.01 178.72 1wup h LYS 58 N 0.29 -1.08 -0.47 1.92 1.57 0.63 0.20 116.57 119.63 1wup h LYS 58 Ca 0.09 0.07 0.10 0.00 -1.87 0.00 0.00 60.65 59.04 1wup h LYS 58 Cb 0.15 0.24 -0.09 0.00 0.08 0.00 0.00 32.23 32.61 1wup h LYS 58 CO -0.01 -0.71 -0.15 1.25 -0.57 0.00 0.00 179.45 179.26 1wup h LEU 59 N -1.19 -0.54 0.15 2.94 5.85 0.38 0.64 115.31 123.54 1wup h LEU 59 Ca -0.11 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1wup h LEU 59 Cb 0.86 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 1wup h LEU 59 CO 0.19 -0.19 -0.24 0.58 -0.34 0.00 0.00 178.44 178.44 1wup h VAL 60 N -0.04 0.00 0.00 1.05 2.07 0.05 -2.04 116.25 117.35 1wup h VAL 60 Ca 0.23 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.72 1wup h VAL 60 Cb 0.39 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1wup h VAL 60 CO -0.51 0.00 -0.14 0.71 0.02 0.00 0.00 177.57 177.65 1wup h THR 61 N -0.41 0.87 -0.29 2.57 1.35 -0.33 0.56 112.91 117.24 1wup h THR 61 Ca -0.02 -0.53 0.05 0.00 -0.55 0.00 0.00 66.41 65.37 1wup h THR 61 Cb 0.37 1.30 -0.04 0.00 -1.73 0.00 0.00 68.15 68.05 1wup h THR 61 CO -0.08 0.14 0.01 -0.25 -0.25 0.00 0.00 175.52 175.09 1wup h TRP 62 N 0.00 0.01 0.02 4.73 7.01 0.61 1.59 115.95 129.91 1wup h TRP 62 Ca -0.00 0.02 -0.25 0.00 2.11 0.00 0.00 58.89 60.77 1wup h TRP 62 Cb 0.29 0.04 0.01 0.00 -2.10 0.00 0.00 29.16 27.40 1wup h TRP 62 CO 0.00 -0.03 -1.02 0.74 -2.79 0.00 0.00 178.44 175.34 1wup h PHE 63 N 0.10 0.78 0.42 2.65 -1.00 -0.49 -3.10 116.94 116.29 1wup h PHE 63 Ca 0.14 -0.44 -0.02 0.00 2.81 0.00 0.00 57.97 60.46 1wup h PHE 63 Cb 0.18 -0.08 -0.00 0.00 3.61 0.00 0.00 35.95 39.65 1wup h PHE 63 CO -0.21 1.27 -0.24 0.28 -1.61 0.00 0.00 178.31 177.80 1wup h VAL 64 N 0.28 0.50 0.00 -0.55 2.07 0.61 -1.44 116.25 117.72 1wup h VAL 64 Ca -0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1wup h VAL 64 Cb 1.66 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1wup h VAL 64 CO 0.19 0.00 0.46 -0.08 0.02 0.00 0.00 177.57 178.16 1wup h GLU 65 N -0.62 0.00 -0.51 1.57 4.81 0.23 0.37 114.58 120.42 1wup h GLU 65 Ca -0.05 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.02 1wup h GLU 65 Cb 0.50 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.79 1wup h GLU 65 CO 0.06 0.00 0.12 0.54 -0.73 0.00 0.00 179.01 179.01 1wup n ARG 66 N -2.77 2.94 -2.59 1.92 1.74 -0.78 -4.93 116.66 112.18 1wup n ARG 66 Ca -0.02 -3.04 -0.07 0.00 -0.77 0.00 0.00 57.85 53.96 1wup n ARG 66 Cb 0.50 -2.01 0.04 0.00 -1.02 0.00 0.00 32.46 29.97 1wup n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wup n GLY 67 N -0.56 0.14 2.75 -0.13 0.00 0.13 -5.05 105.19 102.47 1wup n GLY 67 Ca 0.34 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.14 1.66 0.14 1.61 2.02 -0.61 -4.87 117.35 114.15 1wup s TYR 68 Ca 0.01 -1.60 -0.31 0.00 -0.37 0.00 0.00 57.07 54.81 1wup s TYR 68 Cb -0.01 -1.60 -0.08 0.00 -0.40 0.00 0.00 41.96 39.88 1wup s TYR 68 CO 0.29 -0.83 1.36 -1.59 -1.57 0.00 0.00 175.55 173.22 1wup s LYS 69 N 1.64 4.34 -0.86 -0.62 -2.85 -0.99 -3.63 119.74 116.76 1wup s LYS 69 Ca 0.07 2.07 -0.20 0.00 -1.00 0.00 0.00 55.97 56.91 1wup s LYS 69 Cb -0.17 -3.23 0.11 0.00 -2.06 0.00 0.00 37.83 32.48 1wup s LYS 69 CO -0.21 -0.38 1.09 0.42 0.10 0.00 0.00 175.35 176.36 1wup s ILE 70 N 0.82 4.60 0.47 3.79 1.01 -1.26 0.14 121.20 130.79 1wup s ILE 70 Ca 0.62 -1.24 0.32 0.00 0.00 0.00 0.00 60.65 60.35 1wup s ILE 70 Cb -0.37 -4.76 0.35 0.00 0.01 0.00 0.00 42.46 37.69 1wup s ILE 70 CO 0.32 -1.50 2.17 0.11 0.00 0.00 0.00 174.94 176.04 1wup h LYS 71 N 9.06 0.00 0.00 2.79 1.79 -1.71 -3.43 116.57 125.07 1wup h LYS 71 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1wup h LYS 71 Cb 1.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1wup h LYS 71 CO 1.14 0.06 0.00 0.41 -1.08 0.00 0.00 179.45 179.97 1wup n GLY 72 N -0.84 0.58 3.36 3.86 0.00 -1.24 -3.95 105.19 106.97 1wup n GLY 72 Ca -0.02 -1.10 -0.22 0.00 0.00 0.00 0.00 46.02 44.68 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 0.00 2.85 -0.04 1.61 1.04 -0.88 -0.50 113.70 117.77 1wup s SER 73 Ca 0.00 -0.92 -0.01 0.00 0.48 0.00 0.00 55.95 55.50 1wup s SER 73 Cb 0.00 -0.18 0.03 0.00 0.10 0.00 0.00 66.02 65.97 1wup s SER 73 CO 0.00 -0.04 0.08 -0.51 0.98 0.00 0.00 173.24 173.75 1wup s ILE 74 N -2.26 -0.07 -0.15 -1.02 1.10 0.44 -0.04 121.20 119.20 1wup s ILE 74 Ca 0.19 0.23 -0.07 0.00 -0.51 0.00 0.00 60.65 60.49 1wup s ILE 74 Cb -0.05 -0.16 -0.04 0.00 0.15 0.00 0.00 42.46 42.36 1wup s ILE 74 CO 0.08 0.09 0.10 -0.44 -2.11 0.00 0.00 174.94 172.66 1wup s SER 75 N 1.26 5.97 0.09 4.50 0.01 -0.27 0.27 113.70 125.54 1wup s SER 75 Ca -0.07 0.27 -0.16 0.00 1.31 0.00 0.00 55.95 57.30 1wup s SER 75 Cb -0.12 -1.95 -0.08 0.00 0.21 0.00 0.00 66.02 64.08 1wup s SER 75 CO -0.04 0.30 1.46 0.77 0.41 0.00 0.00 173.24 176.14 1wup h SER 76 N 5.78 0.63 -3.52 2.44 4.64 -1.84 -3.42 113.55 118.26 1wup h SER 76 Ca -0.47 -0.41 -0.24 0.00 -0.47 0.00 0.00 61.79 60.20 1wup h SER 76 Cb 1.19 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 63.05 1wup h SER 76 CO 0.64 0.90 -0.16 0.00 -0.87 0.00 0.00 176.83 177.34 1wup n HIS 77 N -4.41 -1.03 0.69 4.77 1.44 -1.26 -0.37 115.22 115.05 1wup n HIS 77 Ca -0.03 -1.79 0.13 0.00 -2.01 0.00 0.00 57.72 54.02 1wup n HIS 77 Cb 0.37 0.36 0.45 0.00 0.12 0.00 0.00 29.99 31.29 1wup n HIS 77 CO 0.00 0.00 0.00 1.97 -2.81 0.00 0.00 176.34 175.50 1wup n PHE 78 N -0.43 0.76 -0.66 -1.40 -1.74 -1.26 -4.49 117.46 108.23 1wup n PHE 78 Ca 0.02 0.22 -0.31 0.00 -0.56 0.00 0.00 57.45 56.82 1wup n PHE 78 Cb 0.43 -0.86 0.17 0.00 1.52 0.00 0.00 39.48 40.74 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 -2.12 0.76 0.22 2.97 8.25 -1.26 -4.67 115.22 119.38 1wup n HIS 79 Ca 0.06 0.38 0.05 0.00 -0.26 0.00 0.00 57.72 57.94 1wup n HIS 79 Cb 0.41 -1.99 0.50 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 -1.94 0.00 -1.04 0.41 0.02 -1.92 -1.16 113.55 107.91 1wup h SER 80 Ca -0.44 -0.00 0.27 0.00 -0.84 0.00 0.00 61.79 60.78 1wup h SER 80 Cb 1.27 -0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.71 1wup h SER 80 CO 0.41 0.19 0.65 -0.33 -1.14 0.00 0.00 176.83 176.62 1wup h GLU 81 N 0.00 0.42 -0.01 3.45 5.08 -1.89 0.28 114.58 121.91 1wup h GLU 81 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1wup h GLU 81 Cb 0.34 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1wup h GLU 81 CO 0.02 0.28 -0.10 0.43 -1.00 0.00 0.00 179.01 178.64 1wup n SER 82 N -4.72 1.48 0.00 1.42 7.64 -0.85 -4.24 113.62 114.35 1wup n SER 82 Ca 0.27 -1.24 0.00 0.00 1.01 0.00 0.00 58.87 58.90 1wup n SER 82 Cb 0.87 0.25 0.00 0.00 -1.01 0.00 0.00 64.21 64.32 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 0.13 0.00 0.01 0.44 -2.24 -0.50 -2.71 114.28 109.41 1wup n THR 83 Ca 0.05 -0.18 0.21 0.00 -2.27 0.00 0.00 64.05 61.86 1wup n THR 83 Cb 0.22 1.40 0.55 0.00 -2.10 0.00 0.00 70.33 70.40 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 0.00 0.00 -0.58 3.38 0.00 -0.43 -1.13 103.07 104.30 1wup h GLY 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wup h GLY 84 CO 0.00 0.00 -0.47 0.61 0.00 0.00 0.00 176.54 176.68 1wup n GLY 85 N -1.56 -0.16 0.37 4.60 0.00 -1.13 -4.08 105.19 103.23 1wup n GLY 85 Ca 0.12 -0.49 0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 1.42 0.90 0.02 -0.61 2.04 -1.55 0.57 117.51 120.31 1wup h ILE 86 Ca 0.00 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1wup h ILE 86 Cb 0.54 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1wup h ILE 86 CO 0.00 0.17 -0.03 -0.08 0.00 0.00 0.00 178.15 178.20 1wup h GLU 87 N 0.91 -0.06 -0.13 2.37 4.81 -1.78 0.19 114.58 120.89 1wup h GLU 87 Ca 0.48 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.75 1wup h GLU 87 Cb 0.55 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.88 1wup h GLU 87 CO -0.25 -0.04 -0.55 2.35 -0.73 0.00 0.00 179.01 179.80 1wup h TRP 88 N -0.06 -1.62 -1.44 0.92 7.01 -1.64 0.15 115.95 119.27 1wup h TRP 88 Ca -0.00 0.06 0.44 0.00 2.11 0.00 0.00 58.89 61.50 1wup h TRP 88 Cb 0.05 0.72 -0.10 0.00 -2.10 0.00 0.00 29.16 27.74 1wup h TRP 88 CO -0.16 -0.55 0.98 -0.07 -2.79 0.00 0.00 178.44 175.85 1wup h LEU 89 N -0.59 0.16 -0.36 0.65 3.38 0.24 1.33 115.31 120.12 1wup h LEU 89 Ca 0.03 0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.89 1wup h LEU 89 Cb 0.69 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1wup h LEU 89 CO -0.43 -0.09 -0.80 0.78 0.09 0.00 0.00 178.44 177.99 1wup h ASN 90 N 0.08 0.34 0.38 -0.43 -0.26 0.22 1.23 115.58 117.14 1wup h ASN 90 Ca 0.79 -0.25 -0.12 0.00 -0.56 0.00 0.00 56.30 56.16 1wup h ASN 90 Cb 2.74 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 39.88 1wup h ASN 90 CO -0.24 1.01 -0.50 0.77 -1.06 0.00 0.00 177.43 177.40 1wup h SER 91 N 0.17 0.16 -0.02 5.81 4.64 0.23 -1.18 113.55 123.36 1wup h SER 91 Ca -0.04 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1wup h SER 91 Cb 1.40 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1wup h SER 91 CO 0.13 0.64 0.00 0.54 -0.87 0.00 0.00 176.83 177.27 1wup n ARG 92 N -3.94 1.25 -3.41 4.77 5.12 0.10 -4.90 116.66 115.65 1wup n ARG 92 Ca -0.02 -0.36 -0.17 0.00 -1.93 0.00 0.00 57.85 55.36 1wup n ARG 92 Cb 0.54 -1.45 0.08 0.00 -1.16 0.00 0.00 32.46 30.47 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 -0.53 -2.75 -4.57 0.55 7.64 -0.45 -4.98 113.62 108.55 1wup n SER 93 Ca 0.20 -0.58 -0.39 0.00 1.01 0.00 0.00 58.87 59.11 1wup n SER 93 Cb 0.19 -4.94 -0.10 0.00 -1.01 0.00 0.00 64.21 58.35 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 -3.34 5.26 -0.52 0.44 -1.09 0.42 -4.99 121.20 117.37 1wup s ILE 94 Ca 0.10 0.08 -0.29 0.00 -2.23 0.00 0.00 60.65 58.31 1wup s ILE 94 Cb -0.04 -3.66 -0.10 0.00 -1.58 0.00 0.00 42.46 37.07 1wup s ILE 94 CO 0.70 0.09 2.40 -2.65 -1.23 0.00 0.00 174.94 174.26 1wup n PRO 95 N 5.17 0.97 -3.27 2.79 -0.02 -1.25 -4.43 135.00 134.95 1wup n PRO 95 Ca -0.12 0.12 -0.38 0.00 -2.02 0.00 0.00 63.50 61.10 1wup n PRO 95 Cb 0.51 -2.86 -0.06 0.00 -0.02 0.00 0.00 33.50 31.07 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 10.15 5.15 -0.13 3.45 -4.23 -1.26 -2.08 115.64 126.68 1wup s THR 96 Ca 1.08 0.99 0.00 0.00 -1.18 0.00 0.00 61.69 62.58 1wup s THR 96 Cb -0.54 -3.84 -0.01 0.00 1.34 0.00 0.00 72.50 69.45 1wup s THR 96 CO 0.36 0.27 -0.14 -0.31 -0.54 0.00 0.00 174.62 174.26 1wup s TYR 97 N 0.97 2.79 0.04 3.99 1.51 0.94 -0.54 117.35 127.05 1wup s TYR 97 Ca 0.26 -0.74 -0.07 0.00 -1.01 0.00 0.00 57.07 55.51 1wup s TYR 97 Cb -0.15 -1.84 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 1wup s TYR 97 CO 0.10 -0.27 0.13 0.00 -1.11 0.00 0.00 175.55 174.40 1wup s ALA 98 N 0.44 -0.15 1.04 3.71 0.00 -0.52 -1.11 121.76 125.17 1wup s ALA 98 Ca -0.11 -0.49 -0.12 0.00 0.00 0.00 0.00 51.96 51.24 1wup s ALA 98 Cb -0.16 0.27 0.22 0.00 0.00 0.00 0.00 23.12 23.45 1wup s ALA 98 CO 0.05 -0.34 1.07 -1.54 0.00 0.00 0.00 175.76 175.00 1wup s SER 99 N -2.18 2.02 0.17 0.00 1.04 -1.26 -3.40 113.70 110.10 1wup s SER 99 Ca -0.04 1.62 -0.12 0.00 0.48 0.00 0.00 55.95 57.90 1wup s SER 99 Cb -0.01 -2.29 0.07 0.00 0.10 0.00 0.00 66.02 63.89 1wup s SER 99 CO -0.05 -3.57 1.71 -0.08 0.98 0.00 0.00 173.24 172.23 1wup h GLU 100 N -2.19 0.91 -0.39 4.02 4.81 -0.72 -2.78 114.58 118.25 1wup h GLU 100 Ca -0.55 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 58.45 1wup h GLU 100 Cb 1.31 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 1wup h GLU 100 CO 0.50 0.81 0.05 -0.07 -0.73 0.00 0.00 179.01 179.57 1wup h LEU 101 N 0.83 0.55 -0.26 1.64 3.38 -1.91 -1.61 115.31 117.94 1wup h LEU 101 Ca 0.19 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1wup h LEU 101 Cb 0.27 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1wup h LEU 101 CO -0.01 0.59 -0.18 0.71 0.09 0.00 0.00 178.44 179.64 1wup h THR 102 N 0.58 1.31 -0.71 0.22 1.35 -1.82 -2.41 112.91 111.42 1wup h THR 102 Ca 0.13 -1.30 -0.04 0.00 -0.55 0.00 0.00 66.41 64.64 1wup h THR 102 Cb 0.29 1.58 -0.03 0.00 -1.73 0.00 0.00 68.15 68.26 1wup h THR 102 CO 0.00 0.41 0.27 0.78 -0.25 0.00 0.00 175.52 176.74 1wup h ASN 103 N 0.31 0.98 0.31 5.36 2.35 -1.27 1.63 115.58 125.24 1wup h ASN 103 Ca 0.05 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 1wup h ASN 103 Cb 0.71 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1wup h ASN 103 CO 0.05 0.88 -0.20 -0.08 -1.65 0.00 0.00 177.43 176.42 1wup h GLU 104 N 1.03 0.00 0.16 0.81 4.22 -1.26 0.69 114.58 120.23 1wup h GLU 104 Ca 0.24 0.00 -0.24 0.00 0.08 0.00 0.00 59.36 59.44 1wup h GLU 104 Cb 0.21 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.48 1wup h GLU 104 CO -0.02 0.20 -1.08 -0.07 -2.18 0.00 0.00 179.01 175.87 1wup h LEU 105 N 0.00 0.53 0.23 1.64 3.38 -0.17 -0.67 115.31 120.24 1wup h LEU 105 Ca -0.00 -0.93 -0.01 0.00 0.09 0.00 0.00 57.88 57.03 1wup h LEU 105 Cb 0.41 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1wup h LEU 105 CO 0.03 1.51 -0.11 -0.07 0.09 0.00 0.00 178.44 179.88 1wup h LEU 106 N -0.25 -0.26 -1.40 1.67 3.38 0.26 0.12 115.31 118.83 1wup h LEU 106 Ca -0.20 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 57.78 1wup h LEU 106 Cb 1.78 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 42.55 1wup h LEU 106 CO 0.16 -0.09 0.48 0.50 0.09 0.00 0.00 178.44 179.58 1wup h LYS 107 N -0.41 0.67 0.00 1.13 3.64 0.28 0.62 116.57 122.50 1wup h LYS 107 Ca -0.03 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1wup h LYS 107 Cb 0.32 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1wup h LYS 107 CO 0.05 0.45 -0.17 -0.22 -2.27 0.00 0.00 179.45 177.29 1wup h LYS 108 N 0.70 0.00 -0.52 1.90 1.63 -0.48 -2.31 116.57 117.50 1wup h LYS 108 Ca 0.33 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.13 1wup h LYS 108 Cb 0.37 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1wup h LYS 108 CO -0.11 0.17 0.00 -0.25 -3.45 0.00 0.00 179.45 175.80 1wup n ASP 109 N -3.48 3.56 -1.77 4.20 9.92 0.20 -4.94 116.55 124.24 1wup n ASP 109 Ca -0.01 -1.98 -0.17 0.00 -0.53 0.00 0.00 54.79 52.10 1wup n ASP 109 Cb 0.33 -0.34 -0.03 0.00 -0.64 0.00 0.00 41.12 40.44 1wup n ASP 109 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wup n GLY 110 N 1.42 0.29 3.95 0.44 0.00 -0.04 -4.99 105.19 106.26 1wup n GLY 110 Ca 0.20 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.43 3.47 0.19 1.61 -0.14 -0.36 -5.00 119.74 115.08 1wup s LYS 111 Ca 0.00 -0.54 -0.31 0.00 -1.36 0.00 0.00 55.97 53.76 1wup s LYS 111 Cb 0.00 -2.89 -0.10 0.00 -1.68 0.00 0.00 37.83 33.16 1wup s LYS 111 CO 0.00 0.43 1.53 0.08 -0.76 0.00 0.00 175.35 176.63 1wup s VAL 112 N -1.88 2.62 0.32 3.17 1.01 -1.26 -4.14 120.40 120.24 1wup s VAL 112 Ca 0.36 0.47 -0.08 0.00 0.00 0.00 0.00 61.98 62.73 1wup s VAL 112 Cb -0.10 -3.30 -0.06 0.00 0.00 0.00 0.00 36.38 32.92 1wup s VAL 112 CO 0.29 0.05 0.63 -1.10 0.00 0.00 0.00 175.10 174.97 1wup s GLN 113 N 0.63 3.73 0.32 2.72 -0.21 -1.26 -4.79 119.66 120.80 1wup s GLN 113 Ca 0.67 0.23 -0.29 0.00 0.02 0.00 0.00 55.36 55.99 1wup s GLN 113 Cb -0.43 -2.56 -0.10 0.00 1.00 0.00 0.00 33.01 30.92 1wup s GLN 113 CO 0.35 0.15 1.36 0.00 -2.12 0.00 0.00 175.29 175.03 1wup s ALA 114 N -2.12 3.54 0.24 6.09 0.00 -1.26 -4.89 121.76 123.35 1wup s ALA 114 Ca 0.47 1.31 0.34 0.00 0.00 0.00 0.00 51.96 54.08 1wup s ALA 114 Cb -0.11 -3.51 1.51 0.00 0.00 0.00 0.00 23.12 21.02 1wup s ALA 114 CO 0.28 -0.71 2.05 1.79 0.00 0.00 0.00 175.76 179.17 1wup h THR 115 N 3.15 0.12 -3.22 0.00 1.35 -1.86 -3.41 112.91 109.04 1wup h THR 115 Ca -0.48 -0.49 -0.66 0.00 -0.55 0.00 0.00 66.41 64.22 1wup h THR 115 Cb 1.23 1.43 -0.32 0.00 -1.73 0.00 0.00 68.15 68.76 1wup h THR 115 CO 0.68 0.04 -0.80 0.20 -0.25 0.00 0.00 175.52 175.39 1wup s ASN 116 N -5.70 3.67 0.55 5.36 0.01 0.30 -5.00 114.94 114.14 1wup s ASN 116 Ca -0.00 -0.54 0.08 0.00 -0.71 0.00 0.00 52.86 51.68 1wup s ASN 116 Cb 0.10 -1.60 0.06 0.00 0.41 0.00 0.00 41.25 40.22 1wup s ASN 116 CO 0.54 -0.01 0.60 -0.44 -1.51 0.00 0.00 177.10 176.27 1wup s SER 117 N 1.37 4.90 -0.28 -1.22 0.01 -1.26 -1.44 113.70 115.78 1wup s SER 117 Ca 0.05 -1.02 -0.32 0.00 1.31 0.00 0.00 55.95 55.98 1wup s SER 117 Cb -0.14 0.30 0.18 0.00 0.21 0.00 0.00 66.02 66.57 1wup s SER 117 CO -0.09 -1.20 1.35 0.72 0.41 0.00 0.00 173.24 174.44 1wup s PHE 118 N -2.70 -0.05 0.27 2.43 -0.12 -1.22 -4.89 117.98 111.70 1wup s PHE 118 Ca 0.49 0.07 0.05 0.00 -0.05 0.00 0.00 56.93 57.48 1wup s PHE 118 Cb -0.04 0.50 -0.02 0.00 -0.63 0.00 0.00 43.02 42.83 1wup s PHE 118 CO 0.30 -0.05 0.26 -1.13 -0.05 0.00 0.00 175.22 174.55 1wup n SER 119 N 0.37 -0.66 0.00 1.98 3.41 -1.26 0.07 113.62 117.53 1wup n SER 119 Ca 0.01 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 55.92 1wup n SER 119 Cb 0.58 1.47 0.00 0.00 -0.26 0.00 0.00 64.21 66.00 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 -0.50 0.87 0.36 5.00 0.00 -1.26 -4.63 105.19 105.04 1wup n GLY 120 Ca 0.05 -1.94 -0.01 0.00 0.00 0.00 0.00 46.02 44.12 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 1.23 -3.96 1.61 3.04 -1.97 -3.42 116.25 112.78 1wup h VAL 121 Ca 0.00 -0.45 -0.26 0.00 -1.01 0.00 0.00 66.70 64.97 1wup h VAL 121 Cb 0.00 -0.05 -0.22 0.00 -2.01 0.00 0.00 31.29 29.01 1wup h VAL 121 CO 0.00 0.23 -0.73 0.54 -1.01 0.00 0.00 177.57 176.60 1wup s ASN 122 N -6.24 0.76 -0.07 3.17 2.20 -1.26 0.12 114.94 113.62 1wup s ASN 122 Ca -0.12 -0.51 -0.03 0.00 -0.94 0.00 0.00 52.86 51.27 1wup s ASN 122 Cb 0.18 0.04 0.04 0.00 -2.00 0.00 0.00 41.25 39.50 1wup s ASN 122 CO 0.81 -0.19 0.14 -0.47 -2.94 0.00 0.00 177.10 174.44 1wup s TYR 123 N -1.28 -0.14 -0.34 1.54 6.14 -0.94 -4.92 117.35 117.41 1wup s TYR 123 Ca -0.10 0.50 -0.24 0.00 0.64 0.00 0.00 57.07 57.88 1wup s TYR 123 Cb -0.09 -0.21 0.01 0.00 0.42 0.00 0.00 41.96 42.08 1wup s TYR 123 CO 0.00 -0.21 0.80 -1.58 0.64 0.00 0.00 175.55 175.20 1wup s TRP 124 N 1.78 3.14 -0.38 4.97 0.52 -1.26 0.43 118.94 128.14 1wup s TRP 124 Ca -0.02 0.68 0.22 0.00 0.02 0.00 0.00 56.10 57.00 1wup s TRP 124 Cb -0.12 -3.37 0.27 0.00 -1.15 0.00 0.00 33.47 29.10 1wup s TRP 124 CO -0.05 -0.68 1.52 1.25 0.02 0.00 0.00 176.95 179.00 1wup h LEU 125 N 9.68 0.00 -7.14 2.99 5.85 -0.81 -3.42 115.31 122.45 1wup h LEU 125 Ca -0.24 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.36 1wup h LEU 125 Cb 1.09 0.00 -0.28 0.00 0.37 0.00 0.00 40.66 41.84 1wup h LEU 125 CO 0.91 0.06 -0.39 -0.69 -0.34 0.00 0.00 178.44 177.98 1wup s VAL 126 N -3.20 -0.57 0.00 1.05 1.01 -1.19 -4.90 120.40 112.59 1wup s VAL 126 Ca 0.06 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1wup s VAL 126 Cb 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.81 1wup s VAL 126 CO 0.69 0.08 0.00 1.17 0.00 0.00 0.00 175.10 177.04 1wup n LYS 127 N 5.31 0.00 -1.91 2.72 0.00 -1.26 -1.66 118.16 121.35 1wup n LYS 127 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.12 1wup n LYS 127 Cb 0.50 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.59 1wup n LYS 127 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1wup n ASN 128 N -1.55 3.12 0.00 3.14 3.02 -1.26 -4.84 115.26 116.90 1wup n ASN 128 Ca 0.00 -3.18 0.00 0.00 -0.03 0.00 0.00 54.58 51.37 1wup n ASN 128 Cb 0.00 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 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 -0.64 0.00 -3.75 3.52 5.02 -0.67 -4.47 118.16 117.18 1wup n LYS 129 Ca 0.27 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.22 1wup n LYS 129 Cb 0.89 -0.35 -0.09 0.00 -0.02 0.00 0.00 35.03 35.47 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 -1.50 3.72 -0.20 -0.18 1.09 -1.12 -3.78 121.20 119.23 1wup s ILE 130 Ca 0.00 -3.75 -0.21 0.00 -1.10 0.00 0.00 60.65 55.59 1wup s ILE 130 Cb 0.00 -3.37 -0.02 0.00 -1.06 0.00 0.00 42.46 38.00 1wup s ILE 130 CO 0.00 -1.00 0.65 -0.70 -0.10 0.00 0.00 174.94 173.79 1wup s GLU 131 N -1.04 4.21 0.29 2.79 2.12 -0.42 -0.03 118.70 126.62 1wup s GLU 131 Ca 0.24 0.65 -0.05 0.00 0.36 0.00 0.00 54.97 56.17 1wup s GLU 131 Cb -0.11 -3.59 -0.05 0.00 0.26 0.00 0.00 34.13 30.65 1wup s GLU 131 CO -0.11 -0.27 0.55 0.08 -0.54 0.00 0.00 175.26 174.97 1wup s VAL 132 N 2.00 5.03 -0.14 3.70 1.01 0.17 0.80 120.40 132.96 1wup s VAL 132 Ca 0.29 0.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.20 1wup s VAL 132 Cb -0.16 -3.74 0.05 0.00 0.00 0.00 0.00 36.38 32.53 1wup s VAL 132 CO 0.10 -0.33 0.36 0.12 0.00 0.00 0.00 175.10 175.35 1wup s PHE 133 N -2.09 -0.48 -0.52 5.22 5.36 0.42 -2.20 117.98 123.68 1wup s PHE 133 Ca 0.44 1.08 -0.16 0.00 -0.96 0.00 0.00 56.93 57.33 1wup s PHE 133 Cb -0.11 0.18 0.11 0.00 -0.34 0.00 0.00 43.02 42.86 1wup s PHE 133 CO 0.30 -0.28 0.46 -0.47 -1.46 0.00 0.00 175.22 173.78 1wup s TYR 134 N 1.08 3.25 -0.68 10.12 5.04 0.33 -1.17 117.35 135.32 1wup s TYR 134 Ca -0.07 -1.19 0.24 0.00 -2.44 0.00 0.00 57.07 53.61 1wup s TYR 134 Cb -0.07 -3.59 0.91 0.00 0.35 0.00 0.00 41.96 39.55 1wup s TYR 134 CO -0.09 -0.95 1.73 -0.35 -1.34 0.00 0.00 175.55 174.55 1wup n PRO 135 N 5.23 0.18 0.00 4.97 -0.05 -1.26 -4.83 135.00 139.24 1wup n PRO 135 Ca -0.13 0.28 0.00 0.00 -0.05 0.00 0.00 63.50 63.60 1wup n PRO 135 Cb 0.41 -1.77 0.00 0.00 -0.05 0.00 0.00 33.50 32.09 1wup n PRO 135 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1wup n GLY 136 N 0.62 1.11 3.52 0.55 0.00 -1.26 -4.27 105.19 105.46 1wup n GLY 136 Ca 0.04 -2.25 -0.34 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.67 -0.03 0.00 1.61 -0.02 -1.26 -4.79 135.00 129.84 1wup n PRO 137 Ca 0.00 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1wup n PRO 137 Cb 0.00 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 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 1.19 -1.65 0.13 -1.23 0.00 -1.26 -3.72 105.19 98.65 1wup n GLY 138 Ca 0.10 0.71 -0.03 0.00 0.00 0.00 0.00 46.02 46.80 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 0.05 -3.57 1.61 -0.00 -1.86 -0.69 115.15 110.69 1wup h HIS 139 Ca 0.00 -0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.27 1wup h HIS 139 Cb 0.00 -0.01 -0.14 0.00 -0.00 0.00 0.00 27.41 27.26 1wup h HIS 139 CO 0.00 0.72 -0.23 0.99 -0.00 0.00 0.00 177.93 179.41 1wup s THR 140 N -3.44 0.10 0.38 6.26 2.01 -1.18 -2.94 115.64 116.83 1wup s THR 140 Ca -0.01 -0.86 0.09 0.00 0.31 0.00 0.00 61.69 61.21 1wup s THR 140 Cb 0.12 -1.21 0.16 0.00 0.01 0.00 0.00 72.50 71.57 1wup s THR 140 CO 0.78 -0.48 1.91 -0.65 -0.69 0.00 0.00 174.62 175.49 1wup h PRO 141 N 2.66 0.26 -0.00 4.92 0.11 -1.87 -3.11 132.00 134.97 1wup h PRO 141 Ca -0.34 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1wup h PRO 141 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1wup h PRO 141 CO 0.51 0.40 -0.84 -0.40 -0.21 0.00 0.00 178.00 177.46 1wup n ASP 142 N -4.27 1.14 -4.56 -2.05 3.85 -1.26 -4.10 116.55 105.31 1wup n ASP 142 Ca -0.01 -1.02 -0.50 0.00 -0.71 0.00 0.00 54.79 52.56 1wup n ASP 142 Cb 0.27 0.81 -0.04 0.00 -1.35 0.00 0.00 41.12 40.81 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 -1.21 0.99 -4.16 -1.12 2.04 -1.18 -4.75 115.26 105.88 1wup n ASN 143 Ca 0.05 1.14 -0.23 0.00 -0.44 0.00 0.00 54.58 55.11 1wup n ASN 143 Cb 0.36 -1.17 -0.09 0.00 -2.53 0.00 0.00 39.78 36.35 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 -0.27 0.66 -0.00 3.53 -7.23 0.50 -4.47 120.40 113.11 1wup s VAL 144 Ca 0.74 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.92 1wup s VAL 144 Cb -0.89 -2.48 -0.00 0.00 0.56 0.00 0.00 36.38 33.56 1wup s VAL 144 CO 0.53 0.00 -0.05 0.54 -0.31 0.00 0.00 175.10 175.82 1wup s VAL 145 N -3.33 0.37 -0.21 1.32 0.11 -0.32 -4.71 120.40 113.63 1wup s VAL 145 Ca 0.29 -0.20 -0.07 0.00 -2.93 0.00 0.00 61.98 59.08 1wup s VAL 145 Cb 0.04 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 1wup s VAL 145 CO 0.15 0.11 0.06 -0.69 -3.33 0.00 0.00 175.10 171.40 1wup s VAL 146 N -0.08 4.54 -0.15 2.04 1.01 -0.90 -0.44 120.40 126.42 1wup s VAL 146 Ca 0.01 -0.11 -0.08 0.00 0.00 0.00 0.00 61.98 61.80 1wup s VAL 146 Cb -0.02 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1wup s VAL 146 CO -0.00 0.41 0.13 0.86 0.00 0.00 0.00 175.10 176.50 1wup s TRP 147 N 0.87 3.52 -0.77 5.22 -0.00 0.24 0.65 118.94 128.66 1wup s TRP 147 Ca 0.03 0.44 -0.03 0.00 -0.00 0.00 0.00 56.10 56.55 1wup s TRP 147 Cb -0.14 -2.01 0.19 0.00 -0.00 0.00 0.00 33.47 31.52 1wup s TRP 147 CO 0.02 0.57 0.63 -0.51 -0.00 0.00 0.00 176.95 177.66 1wup s LEU 148 N -0.54 5.46 0.14 5.86 1.43 0.44 -1.30 118.68 130.16 1wup s LEU 148 Ca 0.12 -3.31 -0.27 0.00 -1.03 0.00 0.00 54.13 49.65 1wup s LEU 148 Cb -0.12 -1.89 -0.06 0.00 0.03 0.00 0.00 46.19 44.15 1wup s LEU 148 CO 0.02 -0.28 1.46 -0.65 0.23 0.00 0.00 176.35 177.14 1wup h PRO 149 N 6.51 -0.03 -0.75 1.29 0.11 -1.80 0.19 132.00 137.53 1wup h PRO 149 Ca 0.08 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.33 1wup h PRO 149 Cb 0.88 0.01 -0.14 0.00 0.11 0.00 0.00 31.00 31.86 1wup h PRO 149 CO 0.78 -0.02 -0.28 0.93 -0.21 0.00 0.00 178.00 179.21 1wup h GLU 150 N -0.03 -0.06 -0.09 1.05 5.08 -1.84 0.21 114.58 118.91 1wup h GLU 150 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1wup h GLU 150 Cb 0.36 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1wup h GLU 150 CO -0.78 -0.04 0.00 0.54 -1.00 0.00 0.00 179.01 177.73 1wup n ARG 151 N -5.48 1.85 -3.78 2.33 5.12 -0.85 -4.92 116.66 110.92 1wup n ARG 151 Ca 0.08 -1.25 -0.26 0.00 -1.93 0.00 0.00 57.85 54.50 1wup n ARG 151 Cb 0.38 -1.46 0.04 0.00 -1.16 0.00 0.00 32.46 30.27 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 0.49 -5.83 -4.98 5.56 5.02 0.75 -4.69 118.16 114.49 1wup n LYS 152 Ca 0.17 0.65 -0.32 0.00 -2.02 0.00 0.00 58.31 56.80 1wup n LYS 152 Cb 0.40 -5.49 -0.15 0.00 -0.02 0.00 0.00 35.03 29.77 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 -3.41 2.69 -0.04 -0.18 1.01 -0.83 0.27 121.20 120.71 1wup s ILE 153 Ca 0.44 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 60.31 1wup s ILE 153 Cb -0.21 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 1wup s ILE 153 CO 0.80 0.55 -0.13 -0.22 0.00 0.00 0.00 174.94 175.95 1wup s LEU 154 N 0.02 2.83 -0.75 2.97 2.96 -0.52 0.17 118.68 126.35 1wup s LEU 154 Ca -0.06 -0.18 -0.06 0.00 -0.22 0.00 0.00 54.13 53.60 1wup s LEU 154 Cb -0.15 -1.60 0.19 0.00 0.50 0.00 0.00 46.19 45.14 1wup s LEU 154 CO 0.05 0.33 0.62 0.12 -1.32 0.00 0.00 176.35 176.15 1wup s PHE 155 N -0.79 3.62 0.32 5.38 5.36 0.21 0.80 117.98 132.88 1wup s PHE 155 Ca 0.12 -2.57 0.33 0.00 -0.96 0.00 0.00 56.93 53.85 1wup s PHE 155 Cb -0.11 -3.41 1.56 0.00 -0.34 0.00 0.00 43.02 40.72 1wup s PHE 155 CO 0.02 -0.87 2.07 0.78 -1.46 0.00 0.00 175.22 175.76 1wup h GLY 156 N 7.04 0.00 0.00 13.12 0.00 -1.66 -2.39 103.07 119.18 1wup h GLY 156 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1wup h GLY 156 CO 0.76 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.91 1wup n GLY 157 N -0.41 3.34 0.02 4.60 0.00 -0.40 -1.51 105.19 110.83 1wup n GLY 157 Ca -0.01 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 0.09 0.47 -1.78 0.00 3.04 -1.59 -3.40 116.94 113.77 1wup h PHE 159 Ca 0.00 -0.26 -0.49 0.00 3.98 0.00 0.00 57.97 61.20 1wup h PHE 159 Cb 0.18 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 38.57 1wup h PHE 159 CO 0.00 1.07 1.18 0.42 -2.02 0.00 0.00 178.31 178.96 1wup s ILE 160 N -3.16 3.55 -0.69 1.41 -1.09 -1.23 -4.85 121.20 115.13 1wup s ILE 160 Ca -0.14 0.05 0.05 0.00 -2.23 0.00 0.00 60.65 58.38 1wup s ILE 160 Cb 0.02 -4.38 0.18 0.00 -1.58 0.00 0.00 42.46 36.71 1wup s ILE 160 CO 0.79 -1.33 0.53 0.29 -1.23 0.00 0.00 174.94 174.00 1wup n LYS 161 N 9.16 1.92 0.30 2.79 4.76 -1.26 -4.45 118.16 131.37 1wup n LYS 161 Ca 0.20 -4.50 0.17 0.00 -2.87 0.00 0.00 58.31 51.31 1wup n LYS 161 Cb 0.50 -2.27 0.97 0.00 -1.84 0.00 0.00 35.03 32.39 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 5.20 0.00 -0.00 1.97 0.11 -1.84 -3.23 132.00 134.20 1wup h PRO 162 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1wup h PRO 162 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1wup h PRO 162 CO 0.73 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.18 1wup n TYR 163 N -3.66 0.00 0.00 0.65 0.53 -1.26 -4.71 117.16 108.71 1wup n TYR 163 Ca -0.02 -0.02 0.00 0.00 -1.02 0.00 0.00 57.90 56.84 1wup n TYR 163 Cb 0.11 -0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.42 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 0.08 0.82 0.08 2.72 0.00 -1.22 -5.01 105.19 102.66 1wup n GLY 164 Ca 0.01 -0.84 0.12 0.00 0.00 0.00 0.00 46.02 45.32 1wup n GLY 164 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wup n LEU 165 N 0.00 0.69 0.00 0.99 4.77 -1.26 -4.57 117.00 117.62 1wup n LEU 165 Ca 0.00 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1wup n LEU 165 Cb 0.00 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1wup n LEU 165 CO 0.00 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 1wup n GLY 166 N 1.45 1.61 3.56 -0.72 0.00 -1.26 -4.63 105.19 105.20 1wup n GLY 166 Ca 0.07 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 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 5.53 0.31 1.61 2.47 -1.26 -4.82 114.94 114.78 1wup s ASN 167 Ca 0.00 0.43 0.25 0.00 0.42 0.00 0.00 52.86 53.97 1wup s ASN 167 Cb 0.00 -2.53 0.70 0.00 -1.45 0.00 0.00 41.25 37.96 1wup s ASN 167 CO 0.00 -2.15 1.73 -0.07 -3.72 0.00 0.00 177.10 172.88 1wup h LEU 168 N 15.36 0.00 -0.58 3.21 3.38 -1.89 -3.39 115.31 131.39 1wup h LEU 168 Ca -0.27 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.77 1wup h LEU 168 Cb 1.15 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.81 1wup h LEU 168 CO 1.19 0.00 -0.28 0.61 0.09 0.00 0.00 178.44 180.05 1wup n GLY 169 N 1.08 -1.32 1.62 0.83 0.00 -1.26 0.14 105.19 106.27 1wup n GLY 169 Ca 0.05 0.66 -0.15 0.00 0.00 0.00 0.00 46.02 46.58 1wup n GLY 169 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wup n ASP 170 N -4.80 3.80 -4.82 1.61 8.00 -1.26 -5.03 116.55 114.05 1wup n ASP 170 Ca 0.04 -3.77 -0.35 0.00 0.71 0.00 0.00 54.79 51.41 1wup n ASP 170 Cb 0.20 -0.66 -0.07 0.00 -0.02 0.00 0.00 41.12 40.57 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 -3.41 3.71 -1.21 2.24 0.00 0.12 -3.10 121.76 120.12 1wup s ALA 171 Ca 0.50 -0.73 -0.12 0.00 0.00 0.00 0.00 51.96 51.61 1wup s ALA 171 Cb 0.43 -1.79 0.19 0.00 0.00 0.00 0.00 23.12 21.95 1wup s ALA 171 CO 0.01 0.64 1.47 -1.71 0.00 0.00 0.00 175.76 176.17 1wup n ASN 172 N 1.75 5.28 0.01 0.00 2.85 -0.27 -4.81 115.26 120.08 1wup n ASN 172 Ca -0.17 -3.02 0.22 0.00 -0.11 0.00 0.00 54.58 51.50 1wup n ASN 172 Cb 0.54 -1.52 0.73 0.00 1.24 0.00 0.00 39.78 40.76 1wup n ASN 172 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 1wup h ILE 173 N 4.34 0.51 0.00 -1.44 6.09 -1.92 0.44 117.51 125.52 1wup h ILE 173 Ca 0.31 0.00 -0.16 0.00 -1.37 0.00 0.00 64.86 63.64 1wup h ILE 173 Cb 0.83 0.65 -0.02 0.00 0.47 0.00 0.00 36.82 38.74 1wup h ILE 173 CO 1.28 0.00 -0.94 -0.33 -3.07 0.00 0.00 178.15 175.09 1wup h GLU 174 N 0.00 0.00 0.00 2.19 3.07 -1.92 -3.34 114.58 114.58 1wup h GLU 174 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 1wup h GLU 174 Cb 1.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 1wup h GLU 174 CO -0.00 0.55 -1.40 0.00 -1.40 0.00 0.00 179.01 176.76 1wup n ALA 175 N -2.32 3.87 -0.01 3.43 0.00 0.26 -4.52 120.51 121.22 1wup n ALA 175 Ca -0.03 -0.55 -0.09 0.00 0.00 0.00 0.00 53.44 52.77 1wup n ALA 175 Cb 0.83 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.50 -0.03 0.00 2.91 -0.34 -0.06 115.95 117.93 1wup h TRP 176 Ca 0.00 0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.06 1wup h TRP 176 Cb 0.72 0.24 -0.03 0.00 -0.51 0.00 0.00 29.16 29.58 1wup h TRP 176 CO 0.00 -0.27 -0.32 -1.35 -1.03 0.00 0.00 178.44 175.47 1wup h PRO 177 N -0.23 -0.37 -0.91 2.65 0.11 -1.80 1.80 132.00 133.25 1wup h PRO 177 Ca 0.11 0.03 0.25 0.00 0.11 0.00 0.00 66.00 66.49 1wup h PRO 177 Cb 0.39 0.08 -0.16 0.00 0.11 0.00 0.00 31.00 31.42 1wup h PRO 177 CO -0.29 -0.25 0.17 0.87 -0.21 0.00 0.00 178.00 178.29 1wup h LYS 178 N -0.38 0.11 -0.02 1.05 1.79 -1.77 0.62 116.57 117.98 1wup h LYS 178 Ca 0.01 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wup h LYS 178 Cb 0.42 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1wup h LYS 178 CO -0.23 0.07 -0.00 0.77 -1.08 0.00 0.00 179.45 178.98 1wup h SER 179 N 0.12 0.03 -0.13 0.86 0.02 0.12 0.47 113.55 115.04 1wup h SER 179 Ca 0.58 -0.35 0.04 0.00 -0.84 0.00 0.00 61.79 61.21 1wup h SER 179 Cb 1.20 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1wup h SER 179 CO -0.75 0.38 0.11 0.00 -1.14 0.00 0.00 176.83 175.42 1wup h ALA 180 N 0.65 1.94 0.22 3.77 0.00 0.55 0.35 119.26 126.76 1wup h ALA 180 Ca 0.00 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 1wup h ALA 180 Cb 0.36 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.19 1wup h ALA 180 CO 0.00 -0.17 -1.48 -0.22 0.00 0.00 0.00 179.25 177.37 1wup h LYS 181 N 0.00 0.47 -0.14 0.00 3.64 0.45 0.68 116.57 121.67 1wup h LYS 181 Ca 0.06 -0.80 -0.08 0.00 -1.27 0.00 0.00 60.65 58.56 1wup h LYS 181 Cb 0.28 0.30 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1wup h LYS 181 CO -0.00 1.38 -0.26 1.25 -2.27 0.00 0.00 179.45 179.55 1wup h LEU 182 N 0.13 0.25 0.17 5.20 5.85 0.05 0.83 115.31 127.78 1wup h LEU 182 Ca -0.25 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 1wup h LEU 182 Cb 2.13 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 43.09 1wup h LEU 182 CO 0.25 0.52 -0.08 0.25 -0.34 0.00 0.00 178.44 179.03 1wup h LEU 183 N 0.23 -0.20 -1.76 2.25 5.85 -0.33 -1.84 115.31 119.51 1wup h LEU 183 Ca 0.04 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1wup h LEU 183 Cb 0.59 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1wup h LEU 183 CO 0.04 0.35 0.32 0.50 -0.34 0.00 0.00 178.44 179.31 1wup h LYS 184 N -1.00 0.00 0.01 1.25 3.11 0.51 0.87 116.57 121.31 1wup h LYS 184 Ca -0.02 0.00 -0.32 0.00 -2.81 0.00 0.00 60.65 57.49 1wup h LYS 184 Cb 0.38 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.56 1wup h LYS 184 CO 0.04 0.00 -1.94 0.43 -2.81 0.00 0.00 179.45 175.17 1wup n SER 185 N -2.72 0.80 0.02 4.20 7.64 0.27 -4.02 113.62 119.82 1wup n SER 185 Ca -0.02 0.27 -0.05 0.00 1.01 0.00 0.00 58.87 60.08 1wup n SER 185 Cb 0.36 0.13 -0.11 0.00 -1.01 0.00 0.00 64.21 63.58 1wup n SER 185 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1wup h LYS 186 N 0.01 0.00 -1.05 1.43 3.64 0.01 -3.39 116.57 117.22 1wup h LYS 186 Ca -0.38 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.45 1wup h LYS 186 Cb 2.07 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 33.47 1wup h LYS 186 CO 0.06 0.52 -0.81 0.66 -2.27 0.00 0.00 179.45 177.61 1wup n TYR 187 N -3.06 2.92 0.78 1.91 0.53 -0.55 -4.70 117.16 114.99 1wup n TYR 187 Ca -0.11 -2.58 0.13 0.00 -1.02 0.00 0.00 57.90 54.32 1wup n TYR 187 Cb 0.95 -0.24 0.41 0.00 -1.03 0.00 0.00 39.34 39.44 1wup n TYR 187 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1wup n GLY 188 N -0.60 -1.53 0.00 2.72 0.00 -1.26 -2.77 105.19 101.75 1wup n GLY 188 Ca 0.40 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.42 1wup n GLY 188 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wup n LYS 189 N -1.89 0.88 -1.72 1.61 2.85 -1.26 -4.87 118.16 113.76 1wup n LYS 189 Ca 0.06 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.89 1wup n LYS 189 Cb 0.39 -1.47 -0.03 0.00 -0.65 0.00 0.00 35.03 33.27 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 -0.97 2.44 0.00 0.58 0.00 -1.12 -4.92 120.51 116.52 1wup n ALA 190 Ca 0.20 0.40 -0.12 0.00 0.00 0.00 0.00 53.44 53.92 1wup n ALA 190 Cb 0.09 -2.47 -0.14 0.00 0.00 0.00 0.00 19.45 16.94 1wup n ALA 190 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1wup h LYS 191 N 5.83 0.07 -3.35 0.00 1.79 -0.46 -3.28 116.57 117.17 1wup h LYS 191 Ca -0.45 -0.13 -0.15 0.00 -2.18 0.00 0.00 60.65 57.75 1wup h LYS 191 Cb 1.22 0.05 -0.22 0.00 -1.58 0.00 0.00 32.23 31.70 1wup h LYS 191 CO 0.88 0.73 -0.45 -0.51 -1.08 0.00 0.00 179.45 179.02 1wup s LEU 192 N -6.41 1.34 -0.09 2.94 1.43 -1.14 -4.35 118.68 112.40 1wup s LEU 192 Ca -0.08 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 1wup s LEU 192 Cb 0.08 0.78 0.01 0.00 0.03 0.00 0.00 46.19 47.09 1wup s LEU 192 CO 0.82 -0.30 -0.18 -0.69 0.23 0.00 0.00 176.35 176.23 1wup s VAL 193 N -0.96 1.63 -0.59 -1.59 1.01 -0.29 -1.44 120.40 118.16 1wup s VAL 193 Ca -0.10 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 1wup s VAL 193 Cb -0.06 -1.44 0.15 0.00 0.00 0.00 0.00 36.38 35.03 1wup s VAL 193 CO 0.02 0.47 0.51 -0.69 0.00 0.00 0.00 175.10 175.40 1wup s VAL 194 N 0.59 4.86 0.00 2.92 1.01 0.24 -2.35 120.40 127.67 1wup s VAL 194 Ca -0.15 -1.94 0.00 0.00 0.00 0.00 0.00 61.98 59.89 1wup s VAL 194 Cb -0.17 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1wup s VAL 194 CO 0.05 -0.88 0.00 -2.65 0.00 0.00 0.00 175.10 171.62 1wup n PRO 195 N 4.70 -1.53 -0.00 2.72 -0.02 -1.26 -1.27 135.00 138.33 1wup n PRO 195 Ca -0.04 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.47 1wup n PRO 195 Cb 0.42 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.86 1wup n PRO 195 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1wup n SER 196 N -2.70 1.20 0.00 2.55 2.88 -0.28 -4.18 113.62 113.09 1wup n SER 196 Ca 0.00 -0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.09 1wup n SER 196 Cb 0.00 1.07 0.00 0.00 -0.75 0.00 0.00 64.21 64.53 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 -1.27 0.00 -4.58 0.66 8.25 -1.26 -0.70 115.22 116.33 1wup n HIS 197 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.20 1wup n HIS 197 Cb 0.10 0.03 -0.11 0.00 1.12 0.00 0.00 29.99 31.13 1wup n HIS 197 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1wup s SER 198 N 0.00 3.70 0.84 0.41 0.01 -1.26 -4.83 113.70 112.56 1wup s SER 198 Ca 0.00 -1.31 -0.12 0.00 1.31 0.00 0.00 55.95 55.83 1wup s SER 198 Cb 0.00 -0.36 0.10 0.00 0.21 0.00 0.00 66.02 65.97 1wup s SER 198 CO 0.00 -0.37 1.17 -1.61 0.41 0.00 0.00 173.24 172.84 1wup s GLU 199 N -3.69 1.49 -0.10 12.44 0.41 -1.26 -4.58 118.70 123.41 1wup s GLU 199 Ca 0.34 1.64 -0.30 0.00 -0.41 0.00 0.00 54.97 56.24 1wup s GLU 199 Cb 0.07 -1.77 -0.03 0.00 -1.78 0.00 0.00 34.13 30.62 1wup s GLU 199 CO 0.17 -2.30 1.24 0.08 -0.49 0.00 0.00 175.26 173.96 1wup s VAL 200 N -2.38 4.23 0.00 2.63 1.01 -1.26 -4.62 120.40 120.02 1wup s VAL 200 Ca 0.70 1.53 0.00 0.00 0.00 0.00 0.00 61.98 64.21 1wup s VAL 200 Cb -0.26 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1wup s VAL 200 CO 0.53 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1wup n GLY 201 N 3.49 4.79 2.80 4.51 0.00 -0.99 -4.93 105.19 114.86 1wup n GLY 201 Ca 0.12 -2.05 -0.21 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.21 2.58 0.10 1.61 5.75 -1.26 -1.14 116.55 123.99 1wup n ASP 202 Ca 0.00 -2.51 0.02 0.00 -0.01 0.00 0.00 54.79 52.29 1wup n ASP 202 Cb 0.00 0.08 0.09 0.00 -1.03 0.00 0.00 41.12 40.26 1wup n ASP 202 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wup n ALA 203 N -2.02 0.24 0.19 2.12 0.00 -1.24 -0.23 120.51 119.57 1wup n ALA 203 Ca -0.14 0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.38 1wup n ALA 203 Cb 0.47 -0.28 0.37 0.00 0.00 0.00 0.00 19.45 20.02 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 0.00 -0.01 0.00 4.64 -1.93 -2.79 113.55 113.46 1wup h SER 204 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1wup h SER 204 Cb 1.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1wup h SER 204 CO 0.00 0.36 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.24 1wup h LEU 205 N 0.00 0.06 -1.13 5.97 3.38 -0.98 -0.50 115.31 122.12 1wup h LEU 205 Ca -0.00 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1wup h LEU 205 Cb 0.82 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1wup h LEU 205 CO 0.05 0.09 -0.16 -0.07 0.09 0.00 0.00 178.44 178.44 1wup h LEU 206 N 0.07 0.41 -0.00 1.67 3.38 -1.69 -0.53 115.31 118.63 1wup h LEU 206 Ca 0.02 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1wup h LEU 206 Cb 0.07 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1wup h LEU 206 CO 0.00 0.60 -0.21 0.50 0.09 0.00 0.00 178.44 179.41 1wup h LYS 207 N 0.39 0.15 -0.68 1.13 3.64 -1.25 -2.90 116.57 117.04 1wup h LYS 207 Ca 0.07 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1wup h LYS 207 Cb 0.51 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 1wup h LYS 207 CO 0.03 0.90 0.45 -0.07 -2.27 0.00 0.00 179.45 178.49 1wup h LEU 208 N -0.55 0.79 -0.61 5.20 3.38 -1.25 0.30 115.31 122.57 1wup h LEU 208 Ca -0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1wup h LEU 208 Cb 0.98 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1wup h LEU 208 CO 0.04 0.58 0.27 0.74 0.09 0.00 0.00 178.44 180.16 1wup h THR 209 N 0.93 1.22 0.92 0.22 2.02 -1.16 0.70 112.91 117.76 1wup h THR 209 Ca 0.25 -0.66 -0.05 0.00 0.77 0.00 0.00 66.41 66.72 1wup h THR 209 Cb -0.10 0.52 0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1wup h THR 209 CO -0.05 0.26 -0.44 0.25 0.37 0.00 0.00 175.52 175.91 1wup h LEU 210 N 0.85 -1.04 -0.43 2.58 5.85 -0.91 0.21 115.31 122.41 1wup h LEU 210 Ca 0.21 0.04 0.08 0.00 0.84 0.00 0.00 57.88 59.04 1wup h LEU 210 Cb 0.16 0.27 -0.09 0.00 0.37 0.00 0.00 40.66 41.37 1wup h LEU 210 CO -0.02 -0.74 -0.36 -0.33 -0.34 0.00 0.00 178.44 176.65 1wup h GLU 211 N -1.24 -0.25 -0.41 1.25 5.08 -0.23 0.24 114.58 119.01 1wup h GLU 211 Ca -0.13 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1wup h GLU 211 Cb 0.95 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 1wup h GLU 211 CO 0.21 -0.17 0.28 0.37 -1.00 0.00 0.00 179.01 178.70 1wup h GLN 212 N -0.26 0.30 -0.01 2.33 5.75 0.59 0.72 115.11 124.53 1wup h GLN 212 Ca 0.17 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 1wup h GLN 212 Cb 0.55 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.04 1wup h GLN 212 CO -0.57 0.20 -0.03 0.00 -2.65 0.00 0.00 178.83 175.78 1wup h ALA 213 N 1.78 0.02 0.03 3.38 0.00 0.25 1.33 119.26 126.04 1wup h ALA 213 Ca 0.18 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1wup h ALA 213 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1wup h ALA 213 CO -0.04 -0.16 -0.02 -0.39 0.00 0.00 0.00 179.25 178.64 1wup h VAL 214 N -0.55 1.13 -0.14 0.00 -1.51 -0.42 0.68 116.25 115.43 1wup h VAL 214 Ca -0.00 -0.50 0.04 0.00 -1.23 0.00 0.00 66.70 65.01 1wup h VAL 214 Cb 0.63 1.46 -0.07 0.00 -2.13 0.00 0.00 31.29 31.19 1wup h VAL 214 CO 0.01 0.13 -0.47 0.50 -1.23 0.00 0.00 177.57 176.51 1wup h LYS 215 N -0.26 -0.51 -0.92 5.19 3.64 0.41 1.05 116.57 125.17 1wup h LYS 215 Ca -0.00 0.03 0.25 0.00 -1.27 0.00 0.00 60.65 59.66 1wup h LYS 215 Cb 0.24 0.11 -0.14 0.00 -0.41 0.00 0.00 32.23 32.04 1wup h LYS 215 CO 0.01 -0.34 0.37 0.78 -2.27 0.00 0.00 179.45 178.00 1wup h GLY 216 N -0.52 1.61 0.83 5.01 0.00 0.24 0.33 103.07 110.55 1wup h GLY 216 Ca 0.06 -0.13 -0.10 0.00 0.00 0.00 0.00 47.33 47.16 1wup h GLY 216 CO -0.42 -0.37 -0.30 -2.00 0.00 0.00 0.00 176.54 173.45 1wup h LEU 217 N 0.30 0.54 -0.79 3.11 5.85 0.51 -3.27 115.31 121.56 1wup h LEU 217 Ca 0.60 -0.55 0.12 0.00 0.84 0.00 0.00 57.88 58.90 1wup h LEU 217 Cb 1.25 -0.15 -0.13 0.00 0.37 0.00 0.00 40.66 41.99 1wup h LEU 217 CO -0.61 0.99 -0.40 0.78 -0.34 0.00 0.00 178.44 178.86 1wup h ASN 218 N 0.11 -1.44 0.00 1.25 2.35 0.31 -2.21 115.58 115.95 1wup h ASN 218 Ca 0.01 0.28 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1wup h ASN 218 Cb 0.89 0.71 0.00 0.00 0.05 0.00 0.00 38.32 39.97 1wup h ASN 218 CO 0.07 -0.30 0.00 -0.62 -1.65 0.00 0.00 177.43 174.93 1wup n GLU 219 N -5.43 0.00 0.00 0.81 4.71 -1.09 -5.11 120.64 114.53 1wup n GLU 219 Ca 0.06 0.58 0.00 0.00 -0.01 0.00 0.00 57.16 57.79 1wup n GLU 219 Cb 0.36 -1.34 0.00 0.00 -1.01 0.00 0.00 31.44 29.46 1wup n GLU 219 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09