#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwx s GLN 3 N 0.00 0.35 -0.24 5.55 -0.21 -0.94 -5.01 119.66 119.16 1uwx s GLN 3 Ca 0.00 0.09 -0.05 0.00 0.02 0.00 0.00 55.36 55.42 1uwx s GLN 3 Cb 0.00 0.16 -0.01 0.00 1.00 0.00 0.00 33.01 34.16 1uwx s GLN 3 CO 0.00 -0.07 0.01 -0.51 -2.12 0.00 0.00 175.29 172.60 1uwx s LEU 4 N -0.38 3.22 -0.23 2.90 1.43 -1.26 -1.75 118.68 122.62 1uwx s LEU 4 Ca -0.05 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1uwx s LEU 4 Cb -0.03 -1.81 0.03 0.00 0.03 0.00 0.00 46.19 44.41 1uwx s LEU 4 CO 0.01 -0.06 -0.12 -1.58 0.23 0.00 0.00 176.35 174.83 1uwx s GLN 5 N 1.51 2.74 0.33 1.70 0.74 0.13 -3.99 119.66 122.82 1uwx s GLN 5 Ca 0.05 -1.02 0.02 0.00 0.05 0.00 0.00 55.36 54.46 1uwx s GLN 5 Cb -0.15 -2.83 -0.03 0.00 1.10 0.00 0.00 33.01 31.10 1uwx s GLN 5 CO -0.00 -0.38 0.50 -0.65 -0.55 0.00 0.00 175.29 174.21 1uwx s GLN 6 N 1.26 3.39 1.01 1.67 -0.21 -1.26 -0.24 119.66 125.28 1uwx s GLN 6 Ca -0.01 -0.53 -0.16 0.00 0.02 0.00 0.00 55.36 54.69 1uwx s GLN 6 Cb -0.16 -2.73 0.20 0.00 1.00 0.00 0.00 33.01 31.32 1uwx s GLN 6 CO -0.07 0.17 1.20 -1.54 -2.12 0.00 0.00 175.29 172.92 1uwx s SER 7 N -4.05 2.65 0.82 5.90 1.04 -1.02 -4.98 113.70 114.07 1uwx s SER 7 Ca 0.40 0.61 -0.07 0.00 0.48 0.00 0.00 55.95 57.37 1uwx s SER 7 Cb -0.09 -0.90 0.16 0.00 0.10 0.00 0.00 66.02 65.29 1uwx s SER 7 CO 0.34 -3.05 1.13 -0.83 0.98 0.00 0.00 173.24 171.81 1uwx s GLY 8 N -4.32 1.77 0.39 7.32 0.00 -1.26 -4.69 107.32 106.53 1uwx s GLY 8 Ca 0.69 -1.55 -0.26 0.00 0.00 0.00 0.00 44.72 43.61 1uwx s GLY 8 CO 0.54 -0.89 1.20 -1.55 0.00 0.00 0.00 173.10 172.40 1uwx n PRO 9 N -3.20 1.81 -5.15 2.90 -0.04 -1.26 -4.76 135.00 125.29 1uwx n PRO 9 Ca 0.15 0.64 -0.30 0.00 -0.04 0.00 0.00 63.50 63.96 1uwx n PRO 9 Cb 0.60 -2.26 -0.16 0.00 -0.04 0.00 0.00 33.50 31.64 1uwx n PRO 9 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1uwx s GLU 10 N -2.05 2.25 -0.13 0.54 0.41 0.11 -5.00 118.70 114.82 1uwx s GLU 10 Ca 0.60 -0.82 0.03 0.00 -0.41 0.00 0.00 54.97 54.36 1uwx s GLU 10 Cb -0.54 -1.96 0.01 0.00 -1.78 0.00 0.00 34.13 29.86 1uwx s GLU 10 CO 0.59 0.37 -0.21 -0.51 -0.49 0.00 0.00 175.26 175.01 1uwx s LEU 11 N -0.19 2.06 0.00 1.80 1.43 -1.26 -1.08 118.68 121.45 1uwx s LEU 11 Ca -0.01 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 1uwx s LEU 11 Cb -0.12 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.70 1uwx s LEU 11 CO 0.02 0.08 -0.02 -0.54 0.23 0.00 0.00 176.35 176.12 1uwx s LYS 12 N 0.79 0.17 0.39 1.70 -0.14 -0.49 -4.98 119.74 117.18 1uwx s LYS 12 Ca -0.08 -0.18 -0.12 0.00 -1.36 0.00 0.00 55.97 54.23 1uwx s LYS 12 Cb -0.16 -0.09 -0.07 0.00 -1.68 0.00 0.00 37.83 35.84 1uwx s LYS 12 CO -0.01 0.02 0.77 0.15 -0.76 0.00 0.00 175.35 175.52 1uwx s LYS 13 N -0.35 3.84 0.12 1.68 1.02 -1.24 -1.59 119.74 123.22 1uwx s LYS 13 Ca -0.03 0.54 -0.35 0.00 0.02 0.00 0.00 55.97 56.15 1uwx s LYS 13 Cb -0.03 -2.39 -0.16 0.00 -0.52 0.00 0.00 37.83 34.74 1uwx s LYS 13 CO -0.00 -0.00 1.36 -2.30 -0.92 0.00 0.00 175.35 173.49 1uwx n PRO 14 N -1.09 1.38 0.00 -1.68 -0.02 -1.26 -2.34 135.00 130.00 1uwx n PRO 14 Ca 0.03 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1uwx n PRO 14 Cb 0.54 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1uwx n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uwx n GLY 15 N 2.59 0.48 3.95 -1.23 0.00 -0.31 -4.92 105.19 105.76 1uwx n GLY 15 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1uwx n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uwx s GLU 16 N -0.92 0.62 -0.00 1.61 2.02 -0.99 -4.11 118.70 116.92 1uwx s GLU 16 Ca 0.00 -0.66 0.08 0.00 0.02 0.00 0.00 54.97 54.41 1uwx s GLU 16 Cb 0.00 -1.93 -0.02 0.00 0.10 0.00 0.00 34.13 32.28 1uwx s GLU 16 CO 0.00 -2.37 -0.25 0.99 0.02 0.00 0.00 175.26 173.65 1uwx s THR 17 N -3.80 2.14 0.09 3.63 2.01 -1.26 -1.77 115.64 116.69 1uwx s THR 17 Ca 0.75 -1.16 0.08 0.00 0.31 0.00 0.00 61.69 61.66 1uwx s THR 17 Cb -0.03 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 1uwx s THR 17 CO 0.52 0.52 -0.14 0.68 -0.69 0.00 0.00 174.62 175.51 1uwx s VAL 18 N -0.67 3.10 -0.15 3.82 -7.23 -0.67 -5.00 120.40 113.60 1uwx s VAL 18 Ca 0.11 -1.31 -0.01 0.00 -1.81 0.00 0.00 61.98 58.95 1uwx s VAL 18 Cb -0.10 -2.41 0.04 0.00 0.56 0.00 0.00 36.38 34.47 1uwx s VAL 18 CO -0.00 0.16 -0.02 -0.75 -0.31 0.00 0.00 175.10 174.18 1uwx s LYS 19 N -2.01 1.10 -0.01 4.82 2.20 -1.26 -1.66 119.74 122.93 1uwx s LYS 19 Ca 0.19 -0.35 0.08 0.00 -0.36 0.00 0.00 55.97 55.53 1uwx s LYS 19 Cb -0.11 -1.78 -0.02 0.00 -1.51 0.00 0.00 37.83 34.41 1uwx s LYS 19 CO 0.11 -0.44 -0.24 -0.48 -0.36 0.00 0.00 175.35 173.94 1uwx s LEU 20 N 1.76 2.18 0.22 5.43 0.05 0.27 -4.95 118.68 123.63 1uwx s LEU 20 Ca 0.02 -0.46 0.03 0.00 0.05 0.00 0.00 54.13 53.77 1uwx s LEU 20 Cb -0.15 -1.36 -0.03 0.00 -2.05 0.00 0.00 46.19 42.60 1uwx s LEU 20 CO -0.07 0.31 0.36 -0.94 -0.55 0.00 0.00 176.35 175.45 1uwx s SER 21 N -0.79 6.33 -0.27 1.48 1.04 -1.26 -0.79 113.70 119.44 1uwx s SER 21 Ca 0.11 0.17 -0.04 0.00 0.48 0.00 0.00 55.95 56.67 1uwx s SER 21 Cb -0.10 -1.91 0.09 0.00 0.10 0.00 0.00 66.02 64.20 1uwx s SER 21 CO 0.00 -0.05 0.12 0.00 0.98 0.00 0.00 173.24 174.28 1uwx s LYS 23 N 2.03 4.16 -0.11 0.00 2.20 0.67 -1.53 119.74 127.16 1uwx s LYS 23 Ca 0.08 0.24 -0.05 0.00 -0.36 0.00 0.00 55.97 55.87 1uwx s LYS 23 Cb -0.16 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.57 1uwx s LYS 23 CO -0.30 -0.09 0.08 0.00 -0.36 0.00 0.00 175.35 174.68 1uwx s ALA 24 N 1.47 3.62 0.07 3.13 0.00 -0.59 0.22 121.76 129.67 1uwx s ALA 24 Ca 0.20 -0.71 -0.03 0.00 0.00 0.00 0.00 51.96 51.42 1uwx s ALA 24 Cb -0.15 -1.79 -0.03 0.00 0.00 0.00 0.00 23.12 21.15 1uwx s ALA 24 CO 0.08 0.57 0.04 -1.54 0.00 0.00 0.00 175.76 174.91 1uwx s SER 25 N -0.86 0.38 0.00 0.00 1.04 -0.71 -4.81 113.70 108.74 1uwx s SER 25 Ca 0.13 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.64 1uwx s SER 25 Cb -0.12 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1uwx s SER 25 CO 0.03 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.22 1uwx n GLY 26 N 0.05 0.96 3.19 7.32 0.00 -1.26 -2.22 105.19 113.23 1uwx n GLY 26 Ca -0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 1uwx n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1uwx s TYR 27 N -2.34 0.31 -0.08 1.61 -0.85 -1.26 -4.75 117.35 110.00 1uwx s TYR 27 Ca 0.00 -0.76 -0.29 0.00 -0.52 0.00 0.00 57.07 55.50 1uwx s TYR 27 Cb 0.00 -0.17 -0.07 0.00 0.38 0.00 0.00 41.96 42.10 1uwx s TYR 27 CO 0.00 -0.52 2.09 0.99 -1.52 0.00 0.00 175.55 176.59 1uwx s THR 28 N -3.90 3.01 0.24 -3.49 2.01 -1.26 -4.87 115.64 107.39 1uwx s THR 28 Ca 0.08 0.01 -0.04 0.00 0.31 0.00 0.00 61.69 62.04 1uwx s THR 28 Cb 0.06 -3.01 0.21 0.00 0.01 0.00 0.00 72.50 69.77 1uwx s THR 28 CO -0.09 -0.00 1.80 0.15 -0.69 0.00 0.00 174.62 175.78 1uwx h PHE 29 N 12.70 0.80 0.00 4.92 3.57 -1.95 -2.49 116.94 134.49 1uwx h PHE 29 Ca -0.46 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1uwx h PHE 29 Cb 1.24 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1uwx h PHE 29 CO 0.95 0.30 0.00 0.25 -2.23 0.00 0.00 178.31 177.58 1uwx n THR 30 N -4.79 0.03 0.05 4.41 -2.24 -1.26 -3.75 114.28 106.74 1uwx n THR 30 Ca 0.14 0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.85 1uwx n THR 30 Cb 0.31 -0.58 0.07 0.00 -2.10 0.00 0.00 70.33 68.03 1uwx n THR 30 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1uwx h ASN 31 N 0.00 0.44 -4.45 3.42 2.35 -1.81 -3.35 115.58 112.18 1uwx h ASN 31 Ca 0.00 -0.26 -0.40 0.00 -0.55 0.00 0.00 56.30 55.10 1uwx h ASN 31 Cb 0.05 -0.13 -0.23 0.00 0.05 0.00 0.00 38.32 38.07 1uwx h ASN 31 CO 0.00 0.95 -0.78 -0.36 -1.65 0.00 0.00 177.43 175.60 1uwx s PHE 32 N -3.79 1.09 0.68 1.19 0.40 -1.25 -4.94 117.98 111.37 1uwx s PHE 32 Ca -0.05 -0.41 -0.08 0.00 -0.60 0.00 0.00 56.93 55.78 1uwx s PHE 32 Cb 0.11 -0.63 0.04 0.00 0.51 0.00 0.00 43.02 43.05 1uwx s PHE 32 CO 0.82 0.02 1.02 0.20 0.70 0.00 0.00 175.22 177.98 1uwx s GLY 33 N -1.43 1.64 -0.07 4.36 0.00 -1.26 -4.41 107.32 106.15 1uwx s GLY 33 Ca -0.02 -0.72 0.03 0.00 0.00 0.00 0.00 44.72 44.02 1uwx s GLY 33 CO 0.01 -0.34 -0.18 1.08 0.00 0.00 0.00 173.10 173.68 1uwx s LEU 34 N -5.23 1.86 0.03 0.66 1.43 -0.84 -1.90 118.68 114.69 1uwx s LEU 34 Ca 0.58 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.31 1uwx s LEU 34 Cb -0.11 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 1uwx s LEU 34 CO 0.47 0.10 -0.04 0.20 0.23 0.00 0.00 176.35 177.31 1uwx s ASN 35 N 0.43 4.78 -0.09 2.29 0.01 0.37 -1.29 114.94 121.45 1uwx s ASN 35 Ca -0.14 -0.15 0.04 0.00 -0.71 0.00 0.00 52.86 51.89 1uwx s ASN 35 Cb -0.16 -1.13 -0.01 0.00 0.41 0.00 0.00 41.25 40.36 1uwx s ASN 35 CO 0.05 0.25 -0.22 0.26 -1.51 0.00 0.00 177.10 175.94 1uwx s TRP 36 N -1.11 2.58 0.08 2.20 0.52 -0.84 -0.24 118.94 122.13 1uwx s TRP 36 Ca 0.20 -0.81 0.09 0.00 0.02 0.00 0.00 56.10 55.60 1uwx s TRP 36 Cb -0.11 -1.69 -0.03 0.00 -1.15 0.00 0.00 33.47 30.48 1uwx s TRP 36 CO 0.11 -0.27 -0.23 -1.64 0.02 0.00 0.00 176.95 174.94 1uwx s MET 37 N 0.11 1.35 -0.13 4.98 -1.94 0.10 -0.88 119.30 122.89 1uwx s MET 37 Ca -0.10 -1.12 -0.02 0.00 -1.71 0.00 0.00 55.69 52.73 1uwx s MET 37 Cb -0.16 -1.59 -0.03 0.00 2.01 0.00 0.00 34.83 35.06 1uwx s MET 37 CO 0.06 0.39 -0.04 0.21 -0.01 0.00 0.00 175.02 175.63 1uwx s LYS 38 N -1.61 3.40 -0.26 2.03 2.20 0.02 -1.45 119.74 124.06 1uwx s LYS 38 Ca 0.09 -0.51 -0.00 0.00 -0.36 0.00 0.00 55.97 55.18 1uwx s LYS 38 Cb -0.10 -2.83 0.08 0.00 -1.51 0.00 0.00 37.83 33.47 1uwx s LYS 38 CO 0.03 0.39 0.03 -1.14 -0.36 0.00 0.00 175.35 174.30 1uwx s GLN 39 N -0.04 1.06 0.63 4.03 0.74 0.15 -1.28 119.66 124.95 1uwx s GLN 39 Ca 0.01 -0.99 -0.16 0.00 0.05 0.00 0.00 55.36 54.28 1uwx s GLN 39 Cb -0.13 -2.33 -0.02 0.00 1.10 0.00 0.00 33.01 31.64 1uwx s GLN 39 CO 0.03 -0.79 1.10 0.00 -0.55 0.00 0.00 175.29 175.08 1uwx s ALA 40 N 1.53 2.56 0.00 1.58 0.00 -1.26 -1.02 121.76 125.15 1uwx s ALA 40 Ca 0.03 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.55 1uwx s ALA 40 Cb -0.18 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1uwx s ALA 40 CO -0.14 -1.10 0.30 -2.30 0.00 0.00 0.00 175.76 172.53 1uwx n PRO 41 N -2.15 0.00 -0.73 0.00 -0.02 -1.26 -0.45 135.00 130.39 1uwx n PRO 41 Ca 0.10 0.30 -0.01 0.00 -2.02 0.00 0.00 63.50 61.87 1uwx n PRO 41 Cb 0.52 -0.50 0.26 0.00 -0.02 0.00 0.00 33.50 33.76 1uwx n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uwx n GLY 42 N -0.85 2.93 3.83 -1.23 0.00 -1.26 -5.00 105.19 103.61 1uwx n GLY 42 Ca 0.00 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 1uwx n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uwx n LYS 43 N 0.16 0.68 -2.35 1.61 4.01 0.41 -5.14 118.16 117.53 1uwx n LYS 43 Ca 0.27 -3.52 -0.25 0.00 -0.51 0.00 0.00 58.31 54.30 1uwx n LYS 43 Cb 1.06 0.45 0.10 0.00 -0.51 0.00 0.00 35.03 36.13 1uwx n LYS 43 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1uwx s GLY 44 N -4.22 1.75 0.04 0.72 0.00 -1.26 -4.67 107.32 99.68 1uwx s GLY 44 Ca 0.28 -1.30 -0.30 0.00 0.00 0.00 0.00 44.72 43.39 1uwx s GLY 44 CO 0.18 -0.80 1.05 1.08 0.00 0.00 0.00 173.10 174.61 1uwx s LEU 45 N -5.25 4.39 -0.12 0.66 1.43 -1.26 -4.42 118.68 114.11 1uwx s LEU 45 Ca 0.64 1.81 0.03 0.00 -1.03 0.00 0.00 54.13 55.58 1uwx s LEU 45 Cb -0.08 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.57 1uwx s LEU 45 CO 0.45 -0.30 -0.22 -0.54 0.23 0.00 0.00 176.35 175.96 1uwx s LYS 46 N 0.84 3.07 -0.23 1.70 -0.14 -0.40 -4.99 119.74 119.59 1uwx s LYS 46 Ca 0.53 -0.85 -0.29 0.00 -1.36 0.00 0.00 55.97 54.00 1uwx s LYS 46 Cb -0.24 -2.39 0.01 0.00 -1.68 0.00 0.00 37.83 33.53 1uwx s LYS 46 CO 0.29 0.10 1.05 -0.46 -0.76 0.00 0.00 175.35 175.57 1uwx s TRP 47 N 0.54 3.32 -0.01 3.18 -0.00 -1.26 -0.80 118.94 123.91 1uwx s TRP 47 Ca -0.14 1.45 0.12 0.00 -0.00 0.00 0.00 56.10 57.53 1uwx s TRP 47 Cb -0.17 -3.28 -0.22 0.00 -0.00 0.00 0.00 33.47 29.80 1uwx s TRP 47 CO 0.04 -0.52 0.82 0.52 -0.00 0.00 0.00 176.95 177.82 1uwx h MET 48 N 7.48 0.00 0.00 5.86 2.86 -1.38 -3.44 114.93 126.31 1uwx h MET 48 Ca -0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1uwx h MET 48 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 1uwx h MET 48 CO 0.98 0.59 0.00 0.41 1.06 0.00 0.00 176.91 179.96 1uwx n GLY 49 N 1.50 0.04 3.31 8.32 0.00 -1.25 -1.20 105.19 115.91 1uwx n GLY 49 Ca -0.12 -1.70 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 1uwx n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1uwx s TRP 50 N -2.00 0.12 -0.04 1.61 1.48 -0.01 -1.99 118.94 118.10 1uwx s TRP 50 Ca 0.00 -0.49 0.04 0.00 -1.06 0.00 0.00 56.10 54.59 1uwx s TRP 50 Cb 0.00 0.07 -0.00 0.00 -1.16 0.00 0.00 33.47 32.37 1uwx s TRP 50 CO 0.00 -0.68 -0.16 -1.50 -4.06 0.00 0.00 176.95 170.55 1uwx s ILE 51 N -3.88 1.35 -0.32 0.66 2.07 -0.41 -0.21 121.20 120.45 1uwx s ILE 51 Ca 0.09 -0.68 -0.29 0.00 -1.41 0.00 0.00 60.65 58.36 1uwx s ILE 51 Cb 0.03 -1.16 0.01 0.00 0.13 0.00 0.00 42.46 41.47 1uwx s ILE 51 CO -0.07 0.39 1.13 0.21 -1.91 0.00 0.00 174.94 174.69 1uwx s ASN 52 N 0.00 6.86 0.51 4.50 3.84 -0.33 -1.98 114.94 128.35 1uwx s ASN 52 Ca -0.02 1.06 0.30 0.00 0.21 0.00 0.00 52.86 54.40 1uwx s ASN 52 Cb -0.11 -2.54 1.19 0.00 -0.55 0.00 0.00 41.25 39.24 1uwx s ASN 52 CO 0.02 -0.94 1.92 0.71 -2.79 0.00 0.00 177.10 176.02 1uwx h THR 52 N 5.81 0.18 0.00 -5.21 1.35 -1.86 0.28 112.91 113.46 1uwx h THR 52 Ca -0.22 -0.72 -0.22 0.00 -0.55 0.00 0.00 66.41 64.70 1uwx h THR 52 Cb 1.07 1.61 -0.04 0.00 -1.73 0.00 0.00 68.15 69.06 1uwx h THR 52 CO 1.04 0.07 -1.47 0.22 -0.25 0.00 0.00 175.52 175.13 1uwx h TYR 53 N 0.00 0.00 0.00 4.73 5.03 -1.90 -3.42 116.97 121.42 1uwx h TYR 53 Ca -0.00 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.21 1uwx h TYR 53 Cb 0.60 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.86 1uwx h TYR 53 CO 0.00 0.78 -1.49 2.41 -1.32 0.00 0.00 178.16 178.54 1uwx n THR 54 N -3.00 0.39 -0.20 1.81 -1.04 -1.14 -5.01 114.28 106.09 1uwx n THR 54 Ca -0.12 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 1uwx n THR 54 Cb 0.93 -0.49 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 1uwx n THR 54 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uwx n GLY 55 N 2.39 1.97 3.67 3.41 0.00 0.99 -5.01 105.19 112.61 1uwx n GLY 55 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1uwx n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1uwx s GLU 56 N -0.22 4.22 -0.04 1.61 2.12 -1.26 -4.75 118.70 120.38 1uwx s GLU 56 Ca 0.00 2.12 -0.05 0.00 0.36 0.00 0.00 54.97 57.40 1uwx s GLU 56 Cb 0.00 -3.76 -0.04 0.00 0.26 0.00 0.00 34.13 30.59 1uwx s GLU 56 CO 0.00 -0.73 0.18 -1.12 -0.54 0.00 0.00 175.26 173.05 1uwx s SER 57 N 2.60 6.40 -0.11 -1.70 0.01 -1.26 -1.18 113.70 118.46 1uwx s SER 57 Ca 0.69 0.42 0.02 0.00 1.31 0.00 0.00 55.95 58.39 1uwx s SER 57 Cb -0.33 -2.04 0.01 0.00 0.21 0.00 0.00 66.02 63.87 1uwx s SER 57 CO 0.28 0.31 -0.17 -0.89 0.41 0.00 0.00 173.24 173.18 1uwx s THR 58 N -1.22 1.65 -0.16 1.44 2.01 0.70 -5.00 115.64 115.05 1uwx s THR 58 Ca 0.23 -0.75 -0.05 0.00 0.31 0.00 0.00 61.69 61.43 1uwx s THR 58 Cb -0.13 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 1uwx s THR 58 CO 0.14 0.47 0.01 -0.31 -0.69 0.00 0.00 174.62 174.24 1uwx s TYR 59 N 0.84 3.14 0.72 4.92 2.02 -1.26 -0.83 117.35 126.90 1uwx s TYR 59 Ca -0.09 -0.10 -0.16 0.00 -0.37 0.00 0.00 57.07 56.36 1uwx s TYR 59 Cb -0.15 -2.01 0.03 0.00 -0.40 0.00 0.00 41.96 39.43 1uwx s TYR 59 CO 0.00 0.08 1.24 0.00 -1.57 0.00 0.00 175.55 175.31 1uwx s ALA 60 N 0.30 2.14 0.46 3.71 0.00 -0.34 -4.92 121.76 123.11 1uwx s ALA 60 Ca -0.00 1.02 0.23 0.00 0.00 0.00 0.00 51.96 53.21 1uwx s ALA 60 Cb -0.13 -3.51 1.23 0.00 0.00 0.00 0.00 23.12 20.71 1uwx s ALA 60 CO 0.02 -1.89 1.85 -0.44 0.00 0.00 0.00 175.76 175.29 1uwx h ASP 61 N -0.13 0.27 0.07 0.00 5.19 -1.94 -1.01 116.42 118.87 1uwx h ASP 61 Ca -0.49 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 1uwx h ASP 61 Cb 1.31 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.81 1uwx h ASP 61 CO 0.50 0.09 -0.00 0.47 -3.12 0.00 0.00 179.24 177.18 1uwx n ASP 62 N -4.44 0.01 -2.03 6.45 8.00 -1.26 -3.83 116.55 119.45 1uwx n ASP 62 Ca 0.20 -0.90 -0.02 0.00 0.71 0.00 0.00 54.79 54.78 1uwx n ASP 62 Cb 0.84 -0.03 0.06 0.00 -0.02 0.00 0.00 41.12 41.96 1uwx n ASP 62 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1uwx n PHE 63 N -1.02 1.00 -3.71 1.24 3.01 -0.38 -5.03 117.46 112.56 1uwx n PHE 63 Ca 0.23 -1.60 -0.36 0.00 1.01 0.00 0.00 57.45 56.74 1uwx n PHE 63 Cb 0.13 -0.23 -0.07 0.00 -0.01 0.00 0.00 39.48 39.29 1uwx n PHE 63 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1uwx s LYS 64 N -2.59 4.08 0.00 -1.08 1.02 -1.24 -4.43 119.74 115.50 1uwx s LYS 64 Ca 0.35 -0.14 0.00 0.00 0.02 0.00 0.00 55.97 56.20 1uwx s LYS 64 Cb 0.36 -3.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 1uwx s LYS 64 CO -0.07 0.37 0.00 0.41 -0.92 0.00 0.00 175.35 175.14 1uwx n GLY 65 N 3.22 2.27 0.39 -3.33 0.00 -1.26 -4.83 105.19 101.65 1uwx n GLY 65 Ca -0.16 -0.66 0.14 0.00 0.00 0.00 0.00 46.02 45.34 1uwx n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uwx n ARG 66 N 0.00 1.39 -4.82 1.61 1.74 -1.26 -4.90 116.66 110.41 1uwx n ARG 66 Ca 0.00 -0.79 -0.33 0.00 -0.77 0.00 0.00 57.85 55.97 1uwx n ARG 66 Cb 0.00 -1.48 -0.14 0.00 -1.02 0.00 0.00 32.46 29.81 1uwx n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1uwx s PHE 67 N -2.15 2.78 -0.07 -1.55 0.40 -1.26 -4.18 117.98 111.94 1uwx s PHE 67 Ca 0.34 -0.56 -0.03 0.00 -0.60 0.00 0.00 56.93 56.08 1uwx s PHE 67 Cb 0.21 -1.79 0.04 0.00 0.51 0.00 0.00 43.02 41.98 1uwx s PHE 67 CO 0.39 -0.14 0.13 0.00 0.70 0.00 0.00 175.22 176.30 1uwx s ALA 68 N 0.13 -0.06 0.14 5.36 0.00 -0.49 -4.93 121.76 121.92 1uwx s ALA 68 Ca -0.07 0.46 -0.06 0.00 0.00 0.00 0.00 51.96 52.30 1uwx s ALA 68 Cb -0.15 -0.76 -0.06 0.00 0.00 0.00 0.00 23.12 22.15 1uwx s ALA 68 CO 0.05 -0.54 0.40 -0.06 0.00 0.00 0.00 175.76 175.61 1uwx s PHE 69 N 2.24 3.48 0.31 0.00 2.99 -1.26 -0.77 117.98 124.98 1uwx s PHE 69 Ca 0.03 0.61 -0.09 0.00 0.00 0.00 0.00 56.93 57.49 1uwx s PHE 69 Cb -0.12 -2.05 0.01 0.00 0.00 0.00 0.00 43.02 40.86 1uwx s PHE 69 CO -0.05 0.43 0.53 -1.54 -0.00 0.00 0.00 175.22 174.59 1uwx s SER 70 N -2.35 0.36 0.01 1.36 1.04 -0.56 -4.98 113.70 108.58 1uwx s SER 70 Ca 0.41 -1.21 0.03 0.00 0.48 0.00 0.00 55.95 55.66 1uwx s SER 70 Cb -0.12 0.67 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 1uwx s SER 70 CO 0.23 -1.30 -0.11 -0.76 0.98 0.00 0.00 173.24 172.29 1uwx s LEU 71 N -3.12 2.08 -0.45 2.42 1.43 -1.26 -0.83 118.68 118.95 1uwx s LEU 71 Ca 0.25 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 1uwx s LEU 71 Cb -0.01 -0.50 0.12 0.00 0.03 0.00 0.00 46.19 45.83 1uwx s LEU 71 CO 0.14 0.07 0.19 -0.70 0.23 0.00 0.00 176.35 176.29 1uwx s GLU 72 N -0.57 1.65 0.38 1.70 2.12 0.04 -5.01 118.70 119.01 1uwx s GLU 72 Ca 0.02 -2.23 0.07 0.00 0.36 0.00 0.00 54.97 53.19 1uwx s GLU 72 Cb -0.05 -3.03 0.74 0.00 0.26 0.00 0.00 34.13 32.05 1uwx s GLU 72 CO 0.00 -1.07 1.93 1.15 -0.54 0.00 0.00 175.26 176.73 1uwx h THR 73 N 5.78 1.16 0.00 -1.70 2.02 -1.97 -2.42 112.91 115.79 1uwx h THR 73 Ca -0.06 -0.64 -0.10 0.00 0.77 0.00 0.00 66.41 66.37 1uwx h THR 73 Cb 0.94 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1uwx h THR 73 CO 0.60 0.22 -0.49 0.77 0.37 0.00 0.00 175.52 176.98 1uwx h SER 74 N 0.39 0.00 -0.54 4.18 4.64 -1.95 -2.73 113.55 117.54 1uwx h SER 74 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1uwx h SER 74 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1uwx h SER 74 CO 0.01 0.49 0.00 0.00 -0.87 0.00 0.00 176.83 176.46 1uwx n ALA 75 N -2.35 3.13 -4.25 5.18 0.00 -0.99 -4.96 120.51 116.28 1uwx n ALA 75 Ca -0.01 -1.37 -0.35 0.00 0.00 0.00 0.00 53.44 51.71 1uwx n ALA 75 Cb 0.57 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 1uwx n ALA 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1uwx n SER 76 N 0.85 -1.91 -4.16 0.00 7.64 -1.03 -4.79 113.62 110.22 1uwx n SER 76 Ca 0.22 -1.09 -0.27 0.00 1.01 0.00 0.00 58.87 58.74 1uwx n SER 76 Cb 0.82 -2.45 -0.16 0.00 -1.01 0.00 0.00 64.21 61.41 1uwx n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1uwx s THR 77 N -3.55 1.51 0.12 0.44 2.01 -0.95 -1.54 115.64 113.68 1uwx s THR 77 Ca 0.52 -0.77 0.05 0.00 0.31 0.00 0.00 61.69 61.80 1uwx s THR 77 Cb -0.29 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 1uwx s THR 77 CO 0.95 0.43 0.03 0.00 -0.69 0.00 0.00 174.62 175.34 1uwx s ALA 78 N -0.06 3.34 0.02 7.40 0.00 -0.58 -0.78 121.76 131.10 1uwx s ALA 78 Ca -0.02 -1.19 0.05 0.00 0.00 0.00 0.00 51.96 50.80 1uwx s ALA 78 Cb -0.11 -1.19 -0.02 0.00 0.00 0.00 0.00 23.12 21.80 1uwx s ALA 78 CO 0.02 0.62 -0.15 0.71 0.00 0.00 0.00 175.76 176.96 1uwx s TYR 79 N -1.50 1.30 -0.17 0.00 1.51 -0.01 -0.29 117.35 118.20 1uwx s TYR 79 Ca 0.27 -0.31 -0.02 0.00 -1.01 0.00 0.00 57.07 56.00 1uwx s TYR 79 Cb -0.11 -0.79 -0.01 0.00 -0.11 0.00 0.00 41.96 40.93 1uwx s TYR 79 CO 0.20 0.02 -0.08 -1.17 -1.11 0.00 0.00 175.55 173.40 1uwx s LEU 80 N -0.85 2.86 -0.14 -1.29 2.96 0.03 -1.50 118.68 120.74 1uwx s LEU 80 Ca 0.04 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 1uwx s LEU 80 Cb -0.07 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 1uwx s LEU 80 CO 0.01 0.09 -0.14 -1.58 -1.32 0.00 0.00 176.35 173.40 1uwx s GLN 81 N 0.84 3.31 0.49 1.98 0.74 0.05 -0.56 119.66 126.51 1uwx s GLN 81 Ca -0.03 -0.72 0.04 0.00 0.05 0.00 0.00 55.36 54.71 1uwx s GLN 81 Cb -0.15 -2.62 -0.01 0.00 1.10 0.00 0.00 33.01 31.33 1uwx s GLN 81 CO 0.01 0.14 0.13 0.42 -0.55 0.00 0.00 175.29 175.44 1uwx s ILE 82 N 0.53 1.57 0.00 -2.34 1.01 -0.66 -1.40 121.20 119.90 1uwx s ILE 82 Ca -0.09 -1.83 0.00 0.00 0.00 0.00 0.00 60.65 58.73 1uwx s ILE 82 Cb -0.16 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 39.92 1uwx s ILE 82 CO 0.04 0.00 0.00 -3.20 0.00 0.00 0.00 174.94 171.78 1uwx n ASN 82 N -1.35 0.00 -4.74 3.58 5.15 -0.90 -1.67 115.26 115.34 1uwx n ASN 82 Ca -0.10 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.49 1uwx n ASN 82 Cb 0.66 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.95 1uwx n ASN 82 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1uwx n VAL 82 N -0.61 3.66 -4.42 3.44 0.24 -0.73 -4.46 118.33 115.45 1uwx n VAL 82 Ca 0.00 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.34 61.58 1uwx n VAL 82 Cb 0.00 -1.67 -0.09 0.00 -1.47 0.00 0.00 33.84 30.61 1uwx n VAL 82 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1uwx s LYS 83 N -2.80 1.75 0.47 7.34 0.00 -1.26 -1.16 119.74 124.07 1uwx s LYS 83 Ca 0.70 -2.03 0.28 0.00 0.00 0.00 0.00 55.97 54.93 1uwx s LYS 83 Cb -0.42 -0.36 1.35 0.00 0.00 0.00 0.00 37.83 38.40 1uwx s LYS 83 CO 0.50 -0.45 1.77 -0.91 0.00 0.00 0.00 175.35 176.27 1uwx h ASN 84 N 2.02 0.21 0.81 0.03 2.35 -1.96 -0.16 115.58 118.89 1uwx h ASN 84 Ca -0.34 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1uwx h ASN 84 Cb 1.26 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.64 1uwx h ASN 84 CO 0.55 0.02 0.00 1.05 -1.65 0.00 0.00 177.43 177.40 1uwx h GLU 85 N 0.18 0.00 -0.00 0.81 4.11 -1.98 -3.02 114.58 114.67 1uwx h GLU 85 Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.03 1uwx h GLU 85 Cb 1.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 1uwx h GLU 85 CO -0.17 0.00 -0.20 -0.25 0.07 0.00 0.00 179.01 178.46 1uwx n ASP 86 N -2.41 0.39 -4.59 3.06 8.00 -0.07 -4.79 116.55 116.15 1uwx n ASP 86 Ca 0.02 -0.22 -0.42 0.00 0.71 0.00 0.00 54.79 54.87 1uwx n ASP 86 Cb 0.25 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1uwx n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1uwx s THR 87 N -2.76 3.41 0.03 -3.53 2.01 -1.14 -4.78 115.64 108.88 1uwx s THR 87 Ca 0.20 0.40 -0.28 0.00 0.31 0.00 0.00 61.69 62.32 1uwx s THR 87 Cb 0.19 -3.59 0.10 0.00 0.01 0.00 0.00 72.50 69.21 1uwx s THR 87 CO 0.55 -0.40 1.22 0.00 -0.69 0.00 0.00 174.62 175.31 1uwx s ALA 88 N 7.37 -2.19 -0.10 7.40 0.00 -1.09 -4.47 121.76 128.68 1uwx s ALA 88 Ca 0.81 0.15 -0.04 0.00 0.00 0.00 0.00 51.96 52.89 1uwx s ALA 88 Cb -0.23 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 1uwx s ALA 88 CO 0.32 -1.10 0.06 0.99 0.00 0.00 0.00 175.76 176.03 1uwx s THR 89 N -2.23 4.80 -0.07 0.00 2.01 -0.19 -1.79 115.64 118.17 1uwx s THR 89 Ca 0.23 -0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.21 1uwx s THR 89 Cb 0.01 -3.05 -0.01 0.00 0.01 0.00 0.00 72.50 69.45 1uwx s THR 89 CO -0.00 0.61 -0.23 -0.31 -0.69 0.00 0.00 174.62 174.00 1uwx s TYR 90 N -0.95 2.52 -0.04 4.92 1.51 0.25 -0.68 117.35 124.89 1uwx s TYR 90 Ca 0.14 -0.73 0.07 0.00 -1.01 0.00 0.00 57.07 55.54 1uwx s TYR 90 Cb -0.12 -1.65 -0.01 0.00 -0.11 0.00 0.00 41.96 40.07 1uwx s TYR 90 CO 0.03 -0.22 -0.24 -0.06 -1.11 0.00 0.00 175.55 173.95 1uwx s PHE 91 N -0.06 2.27 0.24 2.71 0.40 -0.53 -0.83 117.98 122.18 1uwx s PHE 91 Ca -0.06 -0.54 -0.02 0.00 -0.60 0.00 0.00 56.93 55.71 1uwx s PHE 91 Cb -0.15 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 1uwx s PHE 91 CO 0.05 -0.12 0.45 0.00 0.70 0.00 0.00 175.22 176.30 1uwx s ALA 93 N -1.97 -1.12 0.02 0.00 0.00 0.67 -1.42 121.76 117.93 1uwx s ALA 93 Ca 0.40 1.36 -0.30 0.00 0.00 0.00 0.00 51.96 53.41 1uwx s ALA 93 Cb -0.11 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 1uwx s ALA 93 CO 0.30 -0.23 1.13 0.50 0.00 0.00 0.00 175.76 177.46 1uwx s ARG 94 N 0.51 4.45 -0.51 0.00 3.52 -0.34 -0.48 118.95 126.10 1uwx s ARG 94 Ca -0.02 1.65 -0.25 0.00 -0.13 0.00 0.00 55.73 56.98 1uwx s ARG 94 Cb -0.04 -3.42 0.03 0.00 -1.56 0.00 0.00 34.95 29.96 1uwx s ARG 94 CO -0.03 -0.24 0.95 0.20 -0.81 0.00 0.00 175.30 175.38 1uwx s GLY 95 N 1.12 1.42 -0.56 8.12 0.00 -0.80 -2.60 107.32 114.02 1uwx s GLY 95 Ca 0.56 -1.01 -0.28 0.00 0.00 0.00 0.00 44.72 43.99 1uwx s GLY 95 CO 0.27 2.07 1.15 -0.12 0.00 0.00 0.00 173.10 176.48 1uwx s PHE 96 N 3.93 2.67 0.06 1.90 5.36 0.53 -4.12 117.98 128.32 1uwx s PHE 96 Ca 0.34 0.42 -0.26 0.00 -0.96 0.00 0.00 56.93 56.47 1uwx s PHE 96 Cb -0.11 -4.44 0.09 0.00 -0.34 0.00 0.00 43.02 38.22 1uwx s PHE 96 CO 0.23 -1.49 0.76 -0.47 -1.46 0.00 0.00 175.22 172.78 1uwx s TYR 97 N 4.73 -0.45 0.18 10.12 5.04 -1.26 -3.10 117.35 132.61 1uwx s TYR 97 Ca 0.42 0.31 -0.24 0.00 -2.44 0.00 0.00 57.07 55.13 1uwx s TYR 97 Cb -0.08 0.54 0.06 0.00 0.35 0.00 0.00 41.96 42.83 1uwx s TYR 97 CO 0.26 -0.68 0.89 1.52 -1.34 0.00 0.00 175.55 176.21 1uwx s TYR 98 N -3.26 -0.16 -0.12 4.97 -0.85 -1.26 -4.86 117.35 111.80 1uwx s TYR 98 Ca 0.02 -0.17 -0.29 0.00 -0.52 0.00 0.00 57.07 56.12 1uwx s TYR 98 Cb -0.01 0.65 -0.06 0.00 0.38 0.00 0.00 41.96 42.92 1uwx s TYR 98 CO -0.10 -0.91 2.05 -0.47 -1.52 0.00 0.00 175.55 174.61 1uwx s TYR 99 N -3.44 1.31 0.00 -3.49 5.04 -1.26 -1.51 117.35 114.00 1uwx s TYR 99 Ca 0.11 0.14 0.00 0.00 -2.44 0.00 0.00 57.07 54.88 1uwx s TYR 99 Cb -0.02 -4.06 0.00 0.00 0.35 0.00 0.00 41.96 38.22 1uwx s TYR 99 CO 0.02 -4.56 0.00 0.41 -1.34 0.00 0.00 175.55 170.08 1uwx n GLY 100 N 5.16 0.73 3.76 8.97 0.00 -1.26 -5.07 105.19 117.48 1uwx n GLY 100 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 1uwx n GLY 100 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uwx s SER 100 N -3.00 5.72 0.22 1.61 0.15 -0.57 -4.95 113.70 112.87 1uwx s SER 100 Ca 0.00 2.38 0.23 0.00 0.70 0.00 0.00 55.95 59.26 1uwx s SER 100 Cb 0.00 -2.60 0.17 0.00 -1.71 0.00 0.00 66.02 61.87 1uwx s SER 100 CO 0.00 -1.23 1.23 0.03 1.20 0.00 0.00 173.24 174.46 1uwx h ARG 100 N 1.54 0.00 -5.31 5.44 2.47 -1.98 -3.48 114.38 113.07 1uwx h ARG 100 Ca -0.50 0.00 -0.40 0.00 -1.26 0.00 0.00 59.98 57.82 1uwx h ARG 100 Cb 1.27 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 29.38 1uwx h ARG 100 CO 0.58 0.00 -0.77 0.71 0.56 0.00 0.00 179.97 181.05 1uwx s TYR 100 N -3.28 1.22 -0.03 3.04 2.02 -1.26 -5.15 117.35 113.91 1uwx s TYR 100 Ca 0.03 -0.49 -0.01 0.00 -0.37 0.00 0.00 57.07 56.23 1uwx s TYR 100 Cb 0.10 -0.68 0.03 0.00 -0.40 0.00 0.00 41.96 41.02 1uwx s TYR 100 CO 0.75 0.06 0.05 0.12 -1.57 0.00 0.00 175.55 174.96 1uwx s PHE 100 N -1.50 -0.01 0.00 2.71 5.99 -1.26 -4.56 117.98 119.36 1uwx s PHE 100 Ca -0.00 0.20 -0.29 0.00 0.00 0.00 0.00 56.93 56.84 1uwx s PHE 100 Cb -0.09 -0.21 0.10 0.00 0.00 0.00 0.00 43.02 42.83 1uwx s PHE 100 CO 0.02 -0.11 1.01 1.52 -0.00 0.00 0.00 175.22 177.66 1uwx s TYR 100 N 1.09 -0.22 -0.46 10.12 -0.85 -1.18 -5.03 117.35 120.83 1uwx s TYR 100 Ca -0.09 0.05 -0.17 0.00 -0.52 0.00 0.00 57.07 56.35 1uwx s TYR 100 Cb -0.13 0.56 0.05 0.00 0.38 0.00 0.00 41.96 42.82 1uwx s TYR 100 CO -0.04 -0.53 0.44 -0.06 -1.52 0.00 0.00 175.55 173.84 1uwx s PHE 100 N -2.97 3.18 -0.16 -3.49 2.99 -1.26 -0.34 117.98 115.94 1uwx s PHE 100 Ca 0.09 -0.66 -0.12 0.00 0.00 0.00 0.00 56.93 56.24 1uwx s PHE 100 Cb -0.00 -3.09 -0.08 0.00 0.00 0.00 0.00 43.02 39.84 1uwx s PHE 100 CO -0.05 -0.79 -0.02 0.38 -0.00 0.00 0.00 175.22 174.74 1uwx h ASP 101 N 8.78 0.00 -3.30 1.36 -0.00 -1.89 -3.47 116.42 117.91 1uwx h ASP 101 Ca -0.27 -0.18 -0.59 0.00 -0.00 0.00 0.00 57.03 55.99 1uwx h ASP 101 Cb 1.11 0.00 -0.10 0.00 -0.00 0.00 0.00 39.33 40.34 1uwx h ASP 101 CO 0.85 0.95 -0.31 -0.31 -0.00 0.00 0.00 179.24 180.42 1uwx s TYR 102 N -2.21 3.46 -0.00 4.15 2.02 -1.26 -4.99 117.35 118.52 1uwx s TYR 102 Ca -0.17 0.62 0.07 0.00 -0.37 0.00 0.00 57.07 57.22 1uwx s TYR 102 Cb 0.03 -2.36 -0.03 0.00 -0.40 0.00 0.00 41.96 39.20 1uwx s TYR 102 CO 0.32 0.23 -0.21 -1.58 -1.57 0.00 0.00 175.55 172.74 1uwx s TRP 103 N 0.49 2.48 1.10 2.71 0.52 -1.26 -1.19 118.94 123.79 1uwx s TRP 103 Ca 0.17 -0.32 -0.13 0.00 0.02 0.00 0.00 56.10 55.85 1uwx s TRP 103 Cb -0.13 -1.51 0.25 0.00 -1.15 0.00 0.00 33.47 30.93 1uwx s TRP 103 CO 0.04 0.11 1.06 0.20 0.02 0.00 0.00 176.95 178.38 1uwx s GLY 104 N -0.93 1.55 0.00 0.98 0.00 -0.51 -4.53 107.32 103.88 1uwx s GLY 104 Ca 0.12 -0.29 0.29 0.00 0.00 0.00 0.00 44.72 44.84 1uwx s GLY 104 CO 0.01 0.40 1.90 0.61 0.00 0.00 0.00 173.10 176.03 1uwx n GLN 105 N -4.61 0.04 0.00 2.90 0.00 -1.26 -4.82 117.38 109.63 1uwx n GLN 105 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.03 1uwx n GLN 105 Cb 0.56 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.30 1uwx n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1uwx n GLY 106 N 1.48 -0.22 2.85 2.61 0.00 -1.26 -5.07 105.19 105.58 1uwx n GLY 106 Ca 0.07 -1.51 -0.16 0.00 0.00 0.00 0.00 46.02 44.43 1uwx n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1uwx s THR 107 N -2.75 0.19 0.06 2.61 -1.32 -0.01 -4.93 115.64 109.48 1uwx s THR 107 Ca 0.00 0.02 -0.25 0.00 -1.21 0.00 0.00 61.69 60.25 1uwx s THR 107 Cb 0.00 -0.24 -0.06 0.00 -1.51 0.00 0.00 72.50 70.69 1uwx s THR 107 CO 0.00 0.12 0.77 -0.89 -2.21 0.00 0.00 174.62 172.41 1uwx s THR 108 N 0.66 4.69 -0.13 5.08 2.01 -1.26 -0.58 115.64 126.10 1uwx s THR 108 Ca -0.06 1.65 0.03 0.00 0.31 0.00 0.00 61.69 63.61 1uwx s THR 108 Cb -0.10 -4.12 0.01 0.00 0.01 0.00 0.00 72.50 68.30 1uwx s THR 108 CO -0.01 0.38 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.86 1uwx s LEU 109 N -0.15 2.14 -0.09 4.42 0.20 -0.74 -0.71 118.68 123.76 1uwx s LEU 109 Ca 0.38 -0.58 0.05 0.00 0.69 0.00 0.00 54.13 54.67 1uwx s LEU 109 Cb -0.21 -1.45 -0.00 0.00 -0.43 0.00 0.00 46.19 44.10 1uwx s LEU 109 CO 0.23 0.10 -0.24 -0.89 -0.29 0.00 0.00 176.35 175.27 1uwx s THR 110 N 0.68 2.05 -0.14 3.68 2.01 -0.24 -2.68 115.64 121.00 1uwx s THR 110 Ca -0.10 -1.03 -0.02 0.00 0.31 0.00 0.00 61.69 60.85 1uwx s THR 110 Cb -0.16 -1.76 -0.02 0.00 0.01 0.00 0.00 72.50 70.56 1uwx s THR 110 CO 0.01 0.56 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.75 1uwx s VAL 111 N 0.22 3.64 -0.23 3.82 1.01 -1.26 -1.39 120.40 126.20 1uwx s VAL 111 Ca -0.15 -0.46 -0.27 0.00 0.00 0.00 0.00 61.98 61.10 1uwx s VAL 111 Cb -0.17 -2.56 0.14 0.00 0.00 0.00 0.00 36.38 33.79 1uwx s VAL 111 CO 0.08 0.52 1.10 -0.55 0.00 0.00 0.00 175.10 176.24 1uwx s SER 112 N 0.20 -0.33 0.11 3.32 0.15 -0.62 -4.89 113.70 111.63 1uwx s SER 112 Ca -0.04 0.50 0.26 0.00 0.70 0.00 0.00 55.95 57.37 1uwx s SER 112 Cb -0.14 0.47 0.68 0.00 -1.71 0.00 0.00 66.02 65.32 1uwx s SER 112 CO 0.04 -0.20 1.59 -1.54 1.20 0.00 0.00 173.24 174.32 1uwx n SER 113 N 1.37 0.57 -4.75 5.45 3.41 -1.26 -3.64 113.62 114.77 1uwx n SER 113 Ca -0.10 0.27 -0.32 0.00 -0.26 0.00 0.00 58.87 58.46 1uwx n SER 113 Cb 0.57 -0.24 0.09 0.00 -0.26 0.00 0.00 64.21 64.37 1uwx n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uwx s ALA 114 N -3.09 2.18 0.45 7.33 0.00 -1.26 -5.01 121.76 122.36 1uwx s ALA 114 Ca 0.10 0.51 0.06 0.00 0.00 0.00 0.00 51.96 52.63 1uwx s ALA 114 Cb 0.15 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 1uwx s ALA 114 CO 0.64 -1.78 0.23 -1.59 0.00 0.00 0.00 175.76 173.26 1uwx s LYS 115 N -4.44 2.26 -0.04 0.00 0.00 -1.26 -4.99 119.74 111.26 1uwx s LYS 115 Ca 0.66 -1.91 -0.37 0.00 0.00 0.00 0.00 55.97 54.34 1uwx s LYS 115 Cb -0.21 -2.00 -0.16 0.00 0.00 0.00 0.00 37.83 35.46 1uwx s LYS 115 CO 0.50 -0.26 1.53 2.41 0.00 0.00 0.00 175.35 179.53 1uwx n THR 116 N -1.38 0.14 -3.67 3.79 -1.04 -1.26 -4.68 114.28 106.17 1uwx n THR 116 Ca -0.03 -0.02 -0.17 0.00 -2.04 0.00 0.00 64.05 61.79 1uwx n THR 116 Cb 0.64 -1.07 -0.16 0.00 -1.82 0.00 0.00 70.33 67.93 1uwx n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1uwx s THR 117 N 1.75 -0.26 0.45 12.58 2.01 -0.09 -4.96 115.64 127.12 1uwx s THR 117 Ca 0.89 0.35 -0.24 0.00 0.31 0.00 0.00 61.69 63.01 1uwx s THR 117 Cb -0.96 -0.30 -0.08 0.00 0.01 0.00 0.00 72.50 71.18 1uwx s THR 117 CO 0.53 0.15 1.18 0.00 -0.69 0.00 0.00 174.62 175.79 1uwx s ALA 118 N 2.29 3.02 0.40 7.40 0.00 -1.26 -1.77 121.76 131.83 1uwx s ALA 118 Ca 0.03 0.98 -0.24 0.00 0.00 0.00 0.00 51.96 52.72 1uwx s ALA 118 Cb -0.12 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.52 1uwx s ALA 118 CO -0.06 -0.67 1.07 -1.25 0.00 0.00 0.00 175.76 174.85 1uwx s PRO 119 N -2.59 4.15 -0.03 0.00 0.04 -1.26 -4.49 135.00 130.81 1uwx s PRO 119 Ca 0.62 1.56 -0.17 0.00 0.04 0.00 0.00 61.00 63.05 1uwx s PRO 119 Cb -0.30 -2.57 -0.05 0.00 0.04 0.00 0.00 34.50 31.62 1uwx s PRO 119 CO 0.37 -0.16 0.46 -1.12 0.04 0.00 0.00 177.00 176.58 1uwx s SER 120 N -1.50 6.80 -0.37 6.66 0.01 -0.65 -4.94 113.70 119.71 1uwx s SER 120 Ca 0.58 0.95 -0.05 0.00 1.31 0.00 0.00 55.95 58.74 1uwx s SER 120 Cb -0.23 -2.28 0.08 0.00 0.21 0.00 0.00 66.02 63.79 1uwx s SER 120 CO 0.29 0.20 0.15 -0.69 0.41 0.00 0.00 173.24 173.60 1uwx s VAL 121 N -0.45 3.54 -0.09 3.43 1.01 -1.26 -1.09 120.40 125.48 1uwx s VAL 121 Ca 0.25 -1.58 -0.10 0.00 0.00 0.00 0.00 61.98 60.55 1uwx s VAL 121 Cb -0.17 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 1uwx s VAL 121 CO 0.13 -0.42 0.24 -0.31 0.00 0.00 0.00 175.10 174.73 1uwx s TYR 122 N 1.28 3.62 0.28 5.22 2.02 0.35 -4.92 117.35 125.19 1uwx s TYR 122 Ca 0.02 0.67 -0.24 0.00 -0.37 0.00 0.00 57.07 57.15 1uwx s TYR 122 Cb -0.22 -2.10 -0.09 0.00 -0.40 0.00 0.00 41.96 39.16 1uwx s TYR 122 CO -0.01 0.64 0.87 -1.25 -1.57 0.00 0.00 175.55 174.23 1uwx s PRO 123 N -0.83 4.49 -0.28 -1.71 0.04 -1.26 -0.72 135.00 134.73 1uwx s PRO 123 Ca 0.17 1.18 0.03 0.00 0.04 0.00 0.00 61.00 62.43 1uwx s PRO 123 Cb -0.13 -2.86 0.07 0.00 0.04 0.00 0.00 34.50 31.61 1uwx s PRO 123 CO 0.07 0.34 -0.06 -0.51 0.04 0.00 0.00 177.00 176.88 1uwx s LEU 124 N -1.95 3.67 0.05 -3.56 1.43 0.06 -4.86 118.68 113.51 1uwx s LEU 124 Ca 0.47 -1.58 0.06 0.00 -1.03 0.00 0.00 54.13 52.05 1uwx s LEU 124 Cb -0.18 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 1uwx s LEU 124 CO 0.23 -0.25 -0.18 0.00 0.23 0.00 0.00 176.35 176.38 1uwx s ALA 125 N 1.09 1.52 0.47 4.21 0.00 -1.26 -1.81 121.76 125.98 1uwx s ALA 125 Ca -0.03 -0.98 -0.23 0.00 0.00 0.00 0.00 51.96 50.72 1uwx s ALA 125 Cb -0.20 -0.27 -0.07 0.00 0.00 0.00 0.00 23.12 22.58 1uwx s ALA 125 CO -0.06 0.32 1.26 -1.25 0.00 0.00 0.00 175.76 176.03 1uwx s PRO 126 N -1.21 3.62 -0.43 0.00 0.04 -1.26 -4.98 135.00 130.78 1uwx s PRO 126 Ca 0.05 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.18 1uwx s PRO 126 Cb -0.08 -2.44 0.30 0.00 0.04 0.00 0.00 34.50 32.31 1uwx s PRO 126 CO 0.02 -0.74 0.88 1.55 0.04 0.00 0.00 177.00 178.75 1uwx n VAL 127 N -0.51 -0.15 -0.41 -0.36 3.14 -1.26 -4.27 118.33 114.51 1uwx n VAL 127 Ca 0.07 -2.74 0.32 0.00 -2.96 0.00 0.00 64.34 59.04 1uwx n VAL 127 Cb 0.46 0.49 0.52 0.00 -1.06 0.00 0.00 33.84 34.25 1uwx n VAL 127 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1uwx n SER 134 N 0.75 0.07 -4.53 6.55 3.41 -1.26 -4.77 113.62 113.84 1uwx n SER 134 Ca 0.14 0.82 -0.25 0.00 -0.26 0.00 0.00 58.87 59.32 1uwx n SER 134 Cb 0.65 -0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 64.09 1uwx n SER 134 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1uwx s SER 135 N -4.14 3.51 -0.02 4.04 0.01 -1.26 -0.89 113.70 114.95 1uwx s SER 135 Ca -0.04 -1.24 0.01 0.00 1.31 0.00 0.00 55.95 55.99 1uwx s SER 135 Cb 0.20 -0.31 0.01 0.00 0.21 0.00 0.00 66.02 66.13 1uwx s SER 135 CO 0.59 -0.30 -0.03 0.54 0.41 0.00 0.00 173.24 174.46 1uwx s VAL 136 N -2.74 0.28 -0.13 3.43 0.11 0.00 -4.73 120.40 116.61 1uwx s VAL 136 Ca 0.33 -0.07 -0.03 0.00 -2.93 0.00 0.00 61.98 59.27 1uwx s VAL 136 Cb 0.05 -0.29 -0.03 0.00 -1.53 0.00 0.00 36.38 34.58 1uwx s VAL 136 CO 0.16 0.12 -0.03 -0.89 -3.33 0.00 0.00 175.10 171.13 1uwx s THR 137 N 0.37 4.01 0.45 5.04 2.01 -1.26 -1.44 115.64 124.81 1uwx s THR 137 Ca -0.04 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 61.66 1uwx s THR 137 Cb -0.07 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 1uwx s THR 137 CO -0.01 0.52 0.05 -0.76 -0.69 0.00 0.00 174.62 173.73 1uwx s LEU 138 N -0.01 2.27 0.09 4.42 1.43 -0.34 -4.54 118.68 122.00 1uwx s LEU 138 Ca 0.01 -1.60 -0.26 0.00 -1.03 0.00 0.00 54.13 51.25 1uwx s LEU 138 Cb -0.13 -0.53 0.09 0.00 0.03 0.00 0.00 46.19 45.64 1uwx s LEU 138 CO 0.02 -0.80 1.10 -0.83 0.23 0.00 0.00 176.35 176.08 1uwx s GLY 139 N -3.74 -0.22 -0.01 -3.19 0.00 -0.75 -1.30 107.32 98.11 1uwx s GLY 139 Ca 0.18 0.22 0.03 0.00 0.00 0.00 0.00 44.72 45.15 1uwx s GLY 139 CO 0.10 0.80 -0.09 0.00 0.00 0.00 0.00 173.10 173.90 1uwx s LEU 141 N -0.17 3.53 -0.43 0.00 0.20 0.10 -2.30 118.68 119.61 1uwx s LEU 141 Ca 0.03 -0.69 -0.10 0.00 0.69 0.00 0.00 54.13 54.06 1uwx s LEU 141 Cb -0.04 -1.81 0.08 0.00 -0.43 0.00 0.00 46.19 43.99 1uwx s LEU 141 CO -0.00 -0.14 0.29 -0.69 -0.29 0.00 0.00 176.35 175.52 1uwx s VAL 142 N 1.45 4.41 0.07 1.68 1.01 0.12 -0.50 120.40 128.65 1uwx s VAL 142 Ca 0.02 -1.38 0.07 0.00 0.00 0.00 0.00 61.98 60.69 1uwx s VAL 142 Cb -0.17 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1uwx s VAL 142 CO -0.00 -0.55 -0.14 -0.54 0.00 0.00 0.00 175.10 173.87 1uwx s LYS 143 N 1.46 2.10 -0.44 2.72 1.02 -0.25 -1.06 119.74 125.28 1uwx s LYS 143 Ca 0.03 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 55.02 1uwx s LYS 143 Cb -0.24 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 34.82 1uwx s LYS 143 CO 0.03 0.52 0.00 0.41 -0.92 0.00 0.00 175.35 175.39 1uwx n GLY 144 N 1.10 0.37 3.94 -3.33 0.00 -0.42 -1.63 105.19 105.21 1uwx n GLY 144 Ca -0.15 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 1uwx n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1uwx s TYR 145 N -2.22 3.20 -0.27 1.61 1.13 -1.20 -4.67 117.35 114.92 1uwx s TYR 145 Ca 0.00 -0.15 -0.25 0.00 -1.41 0.00 0.00 57.07 55.27 1uwx s TYR 145 Cb 0.00 -1.73 0.09 0.00 -1.10 0.00 0.00 41.96 39.22 1uwx s TYR 145 CO 0.00 0.25 0.82 0.12 -2.51 0.00 0.00 175.55 174.23 1uwx s PHE 146 N -2.12 -0.70 0.00 -3.49 2.19 -0.73 -1.00 117.98 112.13 1uwx s PHE 146 Ca 0.39 1.69 0.00 0.00 0.33 0.00 0.00 56.93 59.34 1uwx s PHE 146 Cb -0.09 0.31 0.00 0.00 -1.31 0.00 0.00 43.02 41.94 1uwx s PHE 146 CO 0.29 -0.34 0.00 -0.35 1.83 0.00 0.00 175.22 176.65 1uwx n PRO 147 N 2.61 0.72 -1.87 10.12 -0.04 -1.26 -0.91 135.00 144.37 1uwx n PRO 147 Ca -0.14 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.00 1uwx n PRO 147 Cb 0.55 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.04 1uwx n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1uwx s GLU 148 N -2.13 3.24 0.37 0.54 0.41 -1.26 -4.69 118.70 115.18 1uwx s GLU 148 Ca 0.00 1.04 0.07 0.00 -0.41 0.00 0.00 54.97 55.67 1uwx s GLU 148 Cb 0.00 -2.03 -0.00 0.00 -1.78 0.00 0.00 34.13 30.32 1uwx s GLU 148 CO 0.00 -0.86 0.51 -1.25 -0.49 0.00 0.00 175.26 173.17 1uwx s PRO 149 N -4.56 3.02 0.09 0.39 0.04 -1.26 -4.99 135.00 127.73 1uwx s PRO 149 Ca 0.60 -1.06 0.08 0.00 0.04 0.00 0.00 61.00 60.66 1uwx s PRO 149 Cb -0.14 -2.79 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 1uwx s PRO 149 CO 0.45 -0.06 -0.14 0.14 0.04 0.00 0.00 177.00 177.43 1uwx s VAL 150 N -2.25 3.10 -0.01 -0.36 -7.23 -1.26 -4.35 120.40 108.04 1uwx s VAL 150 Ca 0.48 -1.32 0.04 0.00 -1.81 0.00 0.00 61.98 59.37 1uwx s VAL 150 Cb -0.10 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 1uwx s VAL 150 CO 0.32 0.16 -0.10 -0.89 -0.31 0.00 0.00 175.10 174.28 1uwx s THR 151 N -1.13 3.41 -0.02 5.32 2.01 0.24 -4.95 115.64 120.52 1uwx s THR 151 Ca 0.19 -0.79 -0.00 0.00 0.31 0.00 0.00 61.69 61.40 1uwx s THR 151 Cb -0.11 -2.44 0.03 0.00 0.01 0.00 0.00 72.50 69.99 1uwx s THR 151 CO 0.11 0.45 0.03 -0.22 -0.69 0.00 0.00 174.62 174.30 1uwx s LEU 152 N -1.21 0.97 0.35 4.42 0.20 -1.26 -0.66 118.68 121.49 1uwx s LEU 152 Ca 0.15 0.04 0.05 0.00 0.69 0.00 0.00 54.13 55.05 1uwx s LEU 152 Cb -0.11 -0.09 -0.07 0.00 -0.43 0.00 0.00 46.19 45.49 1uwx s LEU 152 CO 0.05 -0.14 0.05 0.42 -0.29 0.00 0.00 176.35 176.44 1uwx s THR 153 N 1.20 1.39 -0.10 3.68 -4.23 -0.45 -4.96 115.64 112.16 1uwx s THR 153 Ca -0.07 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.47 1uwx s THR 153 Cb -0.13 -2.84 -0.01 0.00 1.34 0.00 0.00 72.50 70.86 1uwx s THR 153 CO -0.03 0.00 -0.20 0.26 -0.54 0.00 0.00 174.62 174.11 1uwx s TRP 154 N -3.15 2.62 -1.52 3.99 0.52 -1.26 0.02 118.94 120.16 1uwx s TRP 154 Ca 0.36 -0.82 -0.04 0.00 0.02 0.00 0.00 56.10 55.61 1uwx s TRP 154 Cb 0.09 -1.73 0.04 0.00 -1.15 0.00 0.00 33.47 30.72 1uwx s TRP 154 CO 0.16 -0.29 0.37 0.09 0.02 0.00 0.00 176.95 177.30 1uwx n ASN 155 N 3.36 -0.52 -2.48 2.95 3.02 -0.29 -1.58 115.26 119.72 1uwx n ASN 155 Ca -0.18 -1.10 -0.21 0.00 -0.03 0.00 0.00 54.58 53.06 1uwx n ASN 155 Cb 0.53 -2.51 -0.00 0.00 -0.61 0.00 0.00 39.78 37.19 1uwx n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1uwx n SER 156 N -2.88 -5.91 0.00 6.41 7.64 -1.26 -2.07 113.62 115.55 1uwx n SER 156 Ca -0.23 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.57 1uwx n SER 156 Cb 0.65 -4.87 0.00 0.00 -1.01 0.00 0.00 64.21 58.97 1uwx n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uwx n GLY 157 N -1.13 1.01 0.02 0.23 0.00 -0.61 -4.91 105.19 99.81 1uwx n GLY 157 Ca -0.22 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.93 1uwx n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uwx n SER 158 N 0.00 0.31 -4.23 1.61 3.41 -0.88 -4.25 113.62 109.59 1uwx n SER 158 Ca 0.00 0.24 -0.42 0.00 -0.26 0.00 0.00 58.87 58.42 1uwx n SER 158 Cb 0.00 -0.23 -0.07 0.00 -0.26 0.00 0.00 64.21 63.64 1uwx n SER 158 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1uwx s LEU 159 N -3.28 5.88 -0.03 1.04 1.43 -0.99 -4.88 118.68 117.85 1uwx s LEU 159 Ca 0.12 -2.06 0.03 0.00 -1.03 0.00 0.00 54.13 51.18 1uwx s LEU 159 Cb 0.17 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 1uwx s LEU 159 CO 0.61 -0.68 0.01 -1.54 0.23 0.00 0.00 176.35 174.98 1uwx n SER 160 N 4.74 4.24 -4.81 2.29 3.41 -1.26 -4.28 113.62 117.96 1uwx n SER 160 Ca -0.05 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.22 1uwx n SER 160 Cb 0.41 0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 64.92 1uwx n SER 160 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1uwx s SER 161 N -3.36 6.35 -0.02 4.04 0.01 -1.26 -3.86 113.70 115.60 1uwx s SER 161 Ca -0.02 1.84 0.00 0.00 1.31 0.00 0.00 55.95 59.08 1uwx s SER 161 Cb 0.01 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1uwx s SER 161 CO 0.13 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.61 1uwx n GLY 162 N -0.57 0.45 3.75 3.44 0.00 -1.26 -4.77 105.19 106.23 1uwx n GLY 162 Ca 0.09 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1uwx n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uwx s VAL 163 N -1.90 5.13 -0.22 1.61 1.01 -1.25 -1.53 120.40 123.25 1uwx s VAL 163 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.07 1uwx s VAL 163 Cb 0.00 -3.27 0.05 0.00 0.00 0.00 0.00 36.38 33.16 1uwx s VAL 163 CO 0.00 0.53 -0.09 -1.00 0.00 0.00 0.00 175.10 174.54 1uwx s HIS 164 N -0.30 2.59 -0.26 5.22 3.76 0.05 -4.99 115.29 121.35 1uwx s HIS 164 Ca 0.10 -1.78 -0.07 0.00 -0.15 0.00 0.00 55.06 53.16 1uwx s HIS 164 Cb -0.12 -1.69 -0.02 0.00 1.11 0.00 0.00 32.58 31.87 1uwx s HIS 164 CO 0.01 -0.78 0.06 0.99 -0.85 0.00 0.00 174.74 174.18 1uwx s THR 165 N 1.34 4.13 0.08 1.30 2.01 -1.26 -0.77 115.64 122.47 1uwx s THR 165 Ca -0.04 -0.35 -0.11 0.00 0.31 0.00 0.00 61.69 61.51 1uwx s THR 165 Cb -0.18 -2.98 -0.06 0.00 0.01 0.00 0.00 72.50 69.29 1uwx s THR 165 CO -0.07 0.27 0.42 -0.36 -0.69 0.00 0.00 174.62 174.20 1uwx s PHE 166 N 1.57 3.60 0.63 4.92 0.40 0.25 -5.00 117.98 124.36 1uwx s PHE 166 Ca 0.05 0.85 -0.18 0.00 -0.60 0.00 0.00 56.93 57.06 1uwx s PHE 166 Cb -0.16 -2.21 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 1uwx s PHE 166 CO 0.03 0.52 0.85 -2.30 0.70 0.00 0.00 175.22 175.01 1uwx n PRO 167 N 1.00 0.69 -2.61 0.24 -0.02 -1.26 -4.28 135.00 128.76 1uwx n PRO 167 Ca -0.08 0.28 -0.38 0.00 -2.02 0.00 0.00 63.50 61.29 1uwx n PRO 167 Cb 0.52 -2.07 -0.05 0.00 -0.02 0.00 0.00 33.50 31.89 1uwx n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uwx s ALA 168 N -1.64 3.25 -0.03 3.55 0.00 -1.26 -4.78 121.76 120.84 1uwx s ALA 168 Ca 0.74 0.71 0.07 0.00 0.00 0.00 0.00 51.96 53.47 1uwx s ALA 168 Cb -0.40 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 1uwx s ALA 168 CO 0.49 -0.05 -0.23 0.14 0.00 0.00 0.00 175.76 176.12 1uwx s VAL 169 N -1.43 2.29 -0.27 0.00 -7.23 -0.70 -4.96 120.40 108.09 1uwx s VAL 169 Ca 0.50 -1.01 -0.24 0.00 -1.81 0.00 0.00 61.98 59.41 1uwx s VAL 169 Cb -0.25 -1.82 -0.00 0.00 0.56 0.00 0.00 36.38 34.87 1uwx s VAL 169 CO 0.31 0.58 0.82 -0.22 -0.31 0.00 0.00 175.10 176.29 1uwx s LEU 170 N -0.57 4.07 0.00 1.32 2.96 -1.26 -2.24 118.68 122.97 1uwx s LEU 170 Ca 0.08 0.88 0.00 0.00 -0.22 0.00 0.00 54.13 54.87 1uwx s LEU 170 Cb -0.11 -3.16 0.00 0.00 0.50 0.00 0.00 46.19 43.43 1uwx s LEU 170 CO 0.00 -0.58 0.00 0.00 -1.32 0.00 0.00 176.35 174.45 1uwx n GLN 171 N 6.14 0.00 -3.59 1.98 10.64 -0.43 -4.87 117.38 127.24 1uwx n GLN 171 Ca 0.05 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 54.94 1uwx n GLN 171 Cb 0.48 -0.26 -0.12 0.00 -0.86 0.00 0.00 30.24 29.48 1uwx n GLN 171 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1uwx s SER 172 N -2.65 2.94 0.00 2.61 1.04 -1.26 -4.87 113.70 111.51 1uwx s SER 172 Ca 0.00 -2.98 0.00 0.00 0.48 0.00 0.00 55.95 53.45 1uwx s SER 172 Cb 0.00 -0.84 0.00 0.00 0.10 0.00 0.00 66.02 65.28 1uwx s SER 172 CO 0.00 -0.20 0.00 0.47 0.98 0.00 0.00 173.24 174.49 1uwx n ASP 173 N 3.03 0.00 -4.35 7.02 8.00 -1.26 -4.99 116.55 124.00 1uwx n ASP 173 Ca 0.19 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.51 1uwx n ASP 173 Cb 0.40 -0.93 -0.10 0.00 -0.02 0.00 0.00 41.12 40.47 1uwx n ASP 173 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1uwx s LEU 174 N 0.00 2.55 0.08 0.64 1.43 -1.26 -4.52 118.68 117.60 1uwx s LEU 174 Ca 0.00 -1.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 1uwx s LEU 174 Cb 0.00 -0.69 -0.04 0.00 0.03 0.00 0.00 46.19 45.49 1uwx s LEU 174 CO 0.00 -0.16 0.23 -0.31 0.23 0.00 0.00 176.35 176.34 1uwx s TYR 175 N -2.89 3.51 -0.02 0.29 1.51 -0.17 -1.31 117.35 118.28 1uwx s TYR 175 Ca 0.22 0.23 0.01 0.00 -1.01 0.00 0.00 57.07 56.52 1uwx s TYR 175 Cb -0.01 -1.75 0.01 0.00 -0.11 0.00 0.00 41.96 40.11 1uwx s TYR 175 CO 0.07 0.57 -0.03 0.99 -1.11 0.00 0.00 175.55 176.04 1uwx s THR 176 N -1.56 0.30 0.03 -0.71 2.01 -0.95 -1.30 115.64 113.47 1uwx s THR 176 Ca 0.35 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.30 1uwx s THR 176 Cb -0.13 -0.33 -0.02 0.00 0.01 0.00 0.00 72.50 72.03 1uwx s THR 176 CO 0.28 0.14 -0.05 -1.48 -0.69 0.00 0.00 174.62 172.81 1uwx s LEU 177 N 0.54 2.26 0.16 4.42 0.05 -0.23 -1.73 118.68 124.16 1uwx s LEU 177 Ca -0.06 -0.55 0.03 0.00 0.05 0.00 0.00 54.13 53.60 1uwx s LEU 177 Cb -0.09 -0.03 -0.05 0.00 -2.05 0.00 0.00 46.19 43.98 1uwx s LEU 177 CO -0.01 -0.27 -0.05 -0.94 -0.55 0.00 0.00 176.35 174.53 1uwx s SER 178 N -1.61 1.55 -0.04 1.48 1.04 -1.26 -0.70 113.70 114.15 1uwx s SER 178 Ca -0.12 -1.09 -0.05 0.00 0.48 0.00 0.00 55.95 55.17 1uwx s SER 178 Cb -0.09 0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.08 1uwx s SER 178 CO -0.01 -0.45 0.13 -0.55 0.98 0.00 0.00 173.24 173.35 1uwx s SER 179 N -3.18 -0.11 0.17 7.02 0.15 -0.97 -0.58 113.70 116.20 1uwx s SER 179 Ca 0.20 0.19 0.10 0.00 0.70 0.00 0.00 55.95 57.14 1uwx s SER 179 Cb 0.04 0.26 -0.04 0.00 -1.71 0.00 0.00 66.02 64.58 1uwx s SER 179 CO 0.02 -0.09 -0.16 -0.94 1.20 0.00 0.00 173.24 173.26 1uwx s SER 180 N -0.15 3.89 -0.01 5.45 1.04 0.05 -1.64 113.70 122.34 1uwx s SER 180 Ca -0.02 -0.67 0.02 0.00 0.48 0.00 0.00 55.95 55.76 1uwx s SER 180 Cb -0.02 -0.52 -0.00 0.00 0.10 0.00 0.00 66.02 65.57 1uwx s SER 180 CO 0.00 0.13 -0.08 0.54 0.98 0.00 0.00 173.24 174.81 1uwx s VAL 181 N -1.55 0.68 -0.09 5.02 0.11 -0.42 -0.77 120.40 123.38 1uwx s VAL 181 Ca 0.22 -0.34 0.03 0.00 -2.93 0.00 0.00 61.98 58.96 1uwx s VAL 181 Cb -0.09 -0.59 -0.01 0.00 -1.53 0.00 0.00 36.38 34.16 1uwx s VAL 181 CO 0.12 0.20 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.00 1uwx s THR 182 N -0.04 2.44 0.06 5.04 2.01 -0.58 -1.20 115.64 123.37 1uwx s THR 182 Ca 0.01 -0.90 -0.00 0.00 0.31 0.00 0.00 61.69 61.10 1uwx s THR 182 Cb -0.05 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 1uwx s THR 182 CO -0.00 0.56 -0.04 0.68 -0.69 0.00 0.00 174.62 175.13 1uwx s VAL 183 N 0.08 0.34 0.66 3.82 -7.23 -0.52 -4.68 120.40 112.86 1uwx s VAL 183 Ca -0.09 -1.83 -0.17 0.00 -1.81 0.00 0.00 61.98 58.08 1uwx s VAL 183 Cb -0.15 -1.54 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 1uwx s VAL 183 CO 0.06 -0.96 0.97 0.35 -0.31 0.00 0.00 175.10 175.21 1uwx n THR 184 N 0.09 3.43 0.35 5.32 -2.24 -1.26 -0.81 114.28 119.16 1uwx n THR 184 Ca -0.14 -0.45 0.14 0.00 -2.27 0.00 0.00 64.05 61.34 1uwx n THR 184 Cb 0.61 -1.14 0.49 0.00 -2.10 0.00 0.00 70.33 68.19 1uwx n THR 184 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1uwx h SER 185 N 0.13 0.00 1.02 3.42 4.64 -1.31 -2.16 113.55 119.29 1uwx h SER 185 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1uwx h SER 185 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1uwx h SER 185 CO 0.49 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.91 1uwx n SER 186 N -2.74 0.33 0.17 4.97 3.41 -1.26 -4.13 113.62 114.37 1uwx n SER 186 Ca 0.02 0.54 -0.08 0.00 -0.26 0.00 0.00 58.87 59.10 1uwx n SER 186 Cb 0.35 -0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 63.63 1uwx n SER 186 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1uwx h THR 187 N 0.00 0.00 -3.51 6.66 2.02 -1.74 -3.43 112.91 112.90 1uwx h THR 187 Ca 0.00 -0.54 -0.68 0.00 0.77 0.00 0.00 66.41 65.96 1uwx h THR 187 Cb 0.51 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.75 1uwx h THR 187 CO 0.00 0.00 -0.67 0.86 0.37 0.00 0.00 175.52 176.08 1uwx s TRP 188 N -3.16 3.01 -1.10 3.16 -0.00 -1.26 -1.02 118.94 118.57 1uwx s TRP 188 Ca -0.07 0.06 0.17 0.00 -0.00 0.00 0.00 56.10 56.26 1uwx s TRP 188 Cb 0.01 -1.70 0.70 0.00 -0.00 0.00 0.00 33.47 32.48 1uwx s TRP 188 CO 0.21 0.40 1.60 -0.35 -0.00 0.00 0.00 176.95 178.82 1uwx n PRO 189 N 1.90 3.72 -0.21 5.86 -0.04 -1.26 -4.89 135.00 140.07 1uwx n PRO 189 Ca -0.17 -2.76 0.01 0.00 -0.04 0.00 0.00 63.50 60.54 1uwx n PRO 189 Cb 0.53 -1.91 0.12 0.00 -0.04 0.00 0.00 33.50 32.21 1uwx n PRO 189 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1uwx h SER 190 N 3.93 0.22 -2.79 3.54 0.02 -1.81 -3.38 113.55 113.28 1uwx h SER 190 Ca 0.00 0.09 -0.65 0.00 -0.84 0.00 0.00 61.79 60.38 1uwx h SER 190 Cb 1.45 0.07 -0.08 0.00 0.14 0.00 0.00 62.40 63.98 1uwx h SER 190 CO 0.25 0.12 -0.48 -1.10 -1.14 0.00 0.00 176.83 174.48 1uwx s GLN 191 N -6.08 3.62 0.52 3.45 -0.21 -0.19 -5.08 119.66 115.68 1uwx s GLN 191 Ca -0.13 -0.14 -0.21 0.00 0.02 0.00 0.00 55.36 54.90 1uwx s GLN 191 Cb 0.18 -3.24 -0.06 0.00 1.00 0.00 0.00 33.01 30.89 1uwx s GLN 191 CO 0.75 0.67 1.22 -1.54 -2.12 0.00 0.00 175.29 174.27 1uwx s SER 192 N -0.72 5.69 -0.08 5.90 1.04 -1.26 -4.51 113.70 119.77 1uwx s SER 192 Ca 0.14 2.43 0.02 0.00 0.48 0.00 0.00 55.95 59.02 1uwx s SER 192 Cb -0.12 -2.61 0.01 0.00 0.10 0.00 0.00 66.02 63.40 1uwx s SER 192 CO 0.03 -1.25 -0.13 -0.63 0.98 0.00 0.00 173.24 172.23 1uwx s ILE 193 N -1.51 1.27 -0.03 -1.02 1.01 -1.26 -5.00 121.20 114.65 1uwx s ILE 193 Ca 0.69 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.83 1uwx s ILE 193 Cb -0.32 -1.16 0.00 0.00 0.01 0.00 0.00 42.46 41.00 1uwx s ILE 193 CO 0.37 0.39 -0.11 -0.89 0.00 0.00 0.00 174.94 174.70 1uwx s THR 194 N 0.74 0.94 -0.15 2.92 2.01 -1.26 -1.29 115.64 119.54 1uwx s THR 194 Ca -0.13 -0.44 -0.10 0.00 0.31 0.00 0.00 61.69 61.34 1uwx s THR 194 Cb -0.16 -0.83 -0.05 0.00 0.01 0.00 0.00 72.50 71.48 1uwx s THR 194 CO 0.03 0.29 0.17 0.00 -0.69 0.00 0.00 174.62 174.42 1uwx s ASN 196 N -0.20 5.10 -0.11 0.00 0.01 0.10 -1.94 114.94 117.91 1uwx s ASN 196 Ca 0.13 -0.16 0.03 0.00 -0.71 0.00 0.00 52.86 52.14 1uwx s ASN 196 Cb -0.12 -1.89 0.01 0.00 0.41 0.00 0.00 41.25 39.65 1uwx s ASN 196 CO 0.02 0.03 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.75 1uwx s VAL 197 N 1.22 1.82 -0.04 1.60 1.01 -0.36 -1.35 120.40 124.29 1uwx s VAL 197 Ca 0.04 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.23 1uwx s VAL 197 Cb -0.14 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 1uwx s VAL 197 CO 0.03 0.50 -0.23 0.00 0.00 0.00 0.00 175.10 175.40 1uwx s ALA 198 N 0.69 2.26 -0.40 5.51 0.00 0.16 -1.33 121.76 128.66 1uwx s ALA 198 Ca -0.12 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.80 1uwx s ALA 198 Cb -0.16 -0.69 0.15 0.00 0.00 0.00 0.00 23.12 22.41 1uwx s ALA 198 CO 0.02 0.48 0.26 -1.58 0.00 0.00 0.00 175.76 174.94 1uwx s HIS 199 N -0.42 1.16 0.55 0.00 2.46 -0.59 -0.59 115.29 117.86 1uwx s HIS 199 Ca 0.04 -2.02 0.27 0.00 0.47 0.00 0.00 55.06 53.82 1uwx s HIS 199 Cb -0.12 -1.17 1.45 0.00 -0.13 0.00 0.00 32.58 32.62 1uwx s HIS 199 CO 0.01 -0.81 1.97 -1.35 -2.47 0.00 0.00 174.74 172.10 1uwx h PRO 200 N 6.54 0.00 0.00 2.88 0.11 -1.80 -1.89 132.00 137.85 1uwx h PRO 200 Ca 0.10 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.14 1uwx h PRO 200 Cb 0.94 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1uwx h PRO 200 CO 0.35 0.00 -0.36 0.00 -0.21 0.00 0.00 178.00 177.78 1uwx h ALA 201 N 1.66 1.25 -0.38 -0.75 0.00 -1.92 -2.51 119.26 116.61 1uwx h ALA 201 Ca 0.25 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1uwx h ALA 201 Cb 1.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1uwx h ALA 201 CO -0.00 0.45 0.00 -1.13 0.00 0.00 0.00 179.25 178.57 1uwx n SER 202 N -3.89 3.03 -3.98 0.00 3.41 -0.94 -4.97 113.62 106.28 1uwx n SER 202 Ca -0.01 -1.94 -0.30 0.00 -0.26 0.00 0.00 58.87 56.36 1uwx n SER 202 Cb 0.42 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1uwx n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1uwx n SER 203 N 0.81 -2.92 -4.75 4.04 7.64 -0.95 -4.96 113.62 112.54 1uwx n SER 203 Ca 0.14 -0.90 -0.37 0.00 1.01 0.00 0.00 58.87 58.75 1uwx n SER 203 Cb 0.46 -3.42 -0.07 0.00 -1.01 0.00 0.00 64.21 60.17 1uwx n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1uwx s THR 204 N -3.49 5.26 -0.19 0.44 2.01 -0.75 -4.99 115.64 113.93 1uwx s THR 204 Ca 0.45 0.64 -0.05 0.00 0.31 0.00 0.00 61.69 63.04 1uwx s THR 204 Cb -0.23 -3.66 0.07 0.00 0.01 0.00 0.00 72.50 68.68 1uwx s THR 204 CO 0.87 0.41 0.11 -0.75 -0.69 0.00 0.00 174.62 174.57 1uwx s LYS 205 N 0.22 0.09 0.08 4.92 2.20 -1.26 -1.54 119.74 124.44 1uwx s LYS 205 Ca 0.19 -0.11 0.04 0.00 -0.36 0.00 0.00 55.97 55.73 1uwx s LYS 205 Cb -0.14 -1.70 -0.03 0.00 -1.51 0.00 0.00 37.83 34.45 1uwx s LYS 205 CO 0.06 -0.71 -0.12 0.14 -0.36 0.00 0.00 175.35 174.36 1uwx s VAL 206 N 2.15 1.02 -0.10 4.02 -7.23 -0.44 -4.99 120.40 114.83 1uwx s VAL 206 Ca 0.03 -1.37 0.03 0.00 -1.81 0.00 0.00 61.98 58.86 1uwx s VAL 206 Cb -0.16 -1.09 -0.01 0.00 0.56 0.00 0.00 36.38 35.68 1uwx s VAL 206 CO -0.13 -0.32 -0.19 -1.81 -0.31 0.00 0.00 175.10 172.34 1uwx s ASP 207 N -1.90 3.50 -0.21 4.85 1.01 -1.26 -1.22 116.67 121.44 1uwx s ASP 207 Ca -0.01 -0.43 0.01 0.00 0.71 0.00 0.00 52.55 52.83 1uwx s ASP 207 Cb -0.08 -1.30 0.05 0.00 1.01 0.00 0.00 42.92 42.60 1uwx s ASP 207 CO 0.02 0.20 -0.09 -0.75 0.21 0.00 0.00 175.17 174.76 1uwx s LYS 208 N 0.12 1.91 0.12 8.23 2.47 -0.82 -4.99 119.74 126.79 1uwx s LYS 208 Ca -0.10 -0.88 -0.29 0.00 -1.56 0.00 0.00 55.97 53.15 1uwx s LYS 208 Cb -0.16 -2.45 -0.06 0.00 -1.46 0.00 0.00 37.83 33.70 1uwx s LYS 208 CO 0.06 -0.47 0.91 0.21 0.16 0.00 0.00 175.35 176.21 1uwx s LYS 209 N 1.40 4.68 -0.46 4.03 2.20 -1.26 -1.57 119.74 128.75 1uwx s LYS 209 Ca -0.03 1.36 -0.17 0.00 -0.36 0.00 0.00 55.97 56.78 1uwx s LYS 209 Cb -0.17 -3.35 0.05 0.00 -1.51 0.00 0.00 37.83 32.85 1uwx s LYS 209 CO -0.08 0.30 0.45 0.42 -0.36 0.00 0.00 175.35 176.09 1uwx s ILE 210 N -0.30 5.12 0.10 5.43 -1.09 -0.41 -5.00 121.20 125.05 1uwx s ILE 210 Ca 0.44 -0.72 -0.02 0.00 -2.23 0.00 0.00 60.65 58.12 1uwx s ILE 210 Cb -0.23 -4.13 -0.05 0.00 -1.58 0.00 0.00 42.46 36.48 1uwx s ILE 210 CO 0.29 -0.57 0.28 -1.61 -1.23 0.00 0.00 174.94 172.10 1uwx s GLU 211 N 2.00 3.51 0.74 2.79 2.02 -1.26 -4.57 118.70 123.92 1uwx s GLU 211 Ca 0.09 -0.32 -0.11 0.00 0.02 0.00 0.00 54.97 54.65 1uwx s GLU 211 Cb -0.21 -2.95 0.04 0.00 0.10 0.00 0.00 34.13 31.10 1uwx s GLU 211 CO 0.10 0.54 1.08 -1.25 0.02 0.00 0.00 175.26 175.75 1uwx s PRO 212 N -2.65 2.54 0.00 0.39 0.04 -1.26 -4.88 135.00 129.18 1uwx s PRO 212 Ca 0.37 1.11 0.06 0.00 0.04 0.00 0.00 61.00 62.58 1uwx s PRO 212 Cb -0.12 -1.93 0.10 0.00 0.04 0.00 0.00 34.50 32.59 1uwx s PRO 212 CO 0.27 -1.42 0.92 2.89 0.04 0.00 0.00 177.00 179.70 1uwx n ARG 213 N -3.30 0.00 0.00 4.56 1.85 -1.26 -5.07 116.66 113.43 1uwx n ARG 213 Ca 0.09 -1.01 0.00 0.00 -1.00 0.00 0.00 57.85 55.93 1uwx n ARG 213 Cb 0.53 -0.11 0.00 0.00 -1.05 0.00 0.00 32.46 31.83 1uwx n ARG 213 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1uwx n GLY 214 N 0.12 1.38 0.00 2.89 0.00 -1.26 -4.93 105.19 103.39 1uwx n GLY 214 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1uwx n GLY 214 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27