#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngw s LEU 2 N 0.00 3.22 -0.25 4.31 1.02 -1.26 -4.91 118.68 120.80 1ngw s LEU 2 Ca 0.00 0.21 -0.29 0.00 0.02 0.00 0.00 54.13 54.07 1ngw s LEU 2 Cb 0.00 -2.53 -0.01 0.00 0.02 0.00 0.00 46.19 43.66 1ngw s LEU 2 CO 0.00 -2.82 1.44 0.68 0.02 0.00 0.00 176.35 175.67 1ngw s VAL 3 N 10.95 3.94 -0.57 -1.59 -7.23 -1.26 -4.80 120.40 119.84 1ngw s VAL 3 Ca 0.79 1.07 -0.22 0.00 -1.81 0.00 0.00 61.98 61.81 1ngw s VAL 3 Cb -0.12 -3.94 0.06 0.00 0.56 0.00 0.00 36.38 32.94 1ngw s VAL 3 CO 0.15 -0.37 0.84 -0.04 -0.31 0.00 0.00 175.10 175.36 1ngw s MET 4 N 4.35 3.19 -0.16 4.82 -1.94 -1.26 -3.12 119.30 125.19 1ngw s MET 4 Ca 0.63 -0.67 -0.18 0.00 -1.71 0.00 0.00 55.69 53.76 1ngw s MET 4 Cb -0.21 -4.13 -0.04 0.00 2.01 0.00 0.00 34.83 32.47 1ngw s MET 4 CO 0.25 -1.50 0.49 0.95 -0.01 0.00 0.00 175.02 175.21 1ngw s THR 5 N 3.50 5.16 -0.10 2.05 -4.23 0.13 -3.96 115.64 118.19 1ngw s THR 5 Ca 0.22 0.94 -0.01 0.00 -1.18 0.00 0.00 61.69 61.67 1ngw s THR 5 Cb -0.16 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.82 1ngw s THR 5 CO 0.14 0.26 -0.05 -1.58 -0.54 0.00 0.00 174.62 172.85 1ngw s GLN 6 N 1.06 3.06 -0.01 3.99 0.74 -1.26 -0.33 119.66 126.91 1ngw s GLN 6 Ca 0.25 -0.52 -0.01 0.00 0.05 0.00 0.00 55.36 55.13 1ngw s GLN 6 Cb -0.15 -2.72 0.00 0.00 1.10 0.00 0.00 33.01 31.24 1ngw s GLN 6 CO 0.10 0.55 0.03 0.99 -0.55 0.00 0.00 175.29 176.41 1ngw s THR 7 N -0.48 0.01 0.11 -0.34 2.01 -0.11 -4.56 115.64 112.28 1ngw s THR 7 Ca 0.07 -0.10 -0.02 0.00 0.31 0.00 0.00 61.69 61.96 1ngw s THR 7 Cb -0.12 -0.09 0.03 0.00 0.01 0.00 0.00 72.50 72.33 1ngw s THR 7 CO 0.02 -0.05 0.16 -0.81 -0.69 0.00 0.00 174.62 173.24 1ngw n PRO 8 N 2.89 -0.12 -0.02 4.92 -0.04 -1.26 -1.20 135.00 140.16 1ngw n PRO 8 Ca -0.13 -0.25 -0.20 0.00 -0.04 0.00 0.00 63.50 62.88 1ngw n PRO 8 Cb 0.59 -0.16 -0.14 0.00 -0.04 0.00 0.00 33.50 33.76 1ngw n PRO 8 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1ngw n LYS 9 N -1.33 0.73 -3.65 0.54 3.00 -1.26 -4.53 118.16 111.66 1ngw n LYS 9 Ca 0.02 0.24 -0.24 0.00 -0.00 0.00 0.00 58.31 58.34 1ngw n LYS 9 Cb 0.07 -1.68 -0.17 0.00 0.00 0.00 0.00 35.03 33.24 1ngw n LYS 9 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1ngw s PHE 10 N -2.55 0.20 0.50 5.64 0.40 -1.26 -1.90 117.98 119.01 1ngw s PHE 10 Ca -0.23 -0.10 0.06 0.00 -0.60 0.00 0.00 56.93 56.05 1ngw s PHE 10 Cb 0.07 -0.63 0.06 0.00 0.51 0.00 0.00 43.02 43.03 1ngw s PHE 10 CO 0.75 -0.38 0.46 -0.12 0.70 0.00 0.00 175.22 176.63 1ngw n MET 11 N 5.27 0.73 -3.15 0.44 1.56 -0.84 -4.97 117.12 116.16 1ngw n MET 11 Ca -0.05 -2.98 0.05 0.00 -0.27 0.00 0.00 57.70 54.45 1ngw n MET 11 Cb 0.49 0.17 -0.01 0.00 2.15 0.00 0.00 33.22 36.03 1ngw n MET 11 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1ngw s SER 12 N -3.96 -0.66 0.52 6.12 0.15 -1.26 -3.42 113.70 111.18 1ngw s SER 12 Ca 0.35 0.32 0.03 0.00 0.70 0.00 0.00 55.95 57.35 1ngw s SER 12 Cb -0.03 1.51 0.00 0.00 -1.71 0.00 0.00 66.02 65.80 1ngw s SER 12 CO 0.22 -0.12 0.15 0.42 1.20 0.00 0.00 173.24 175.11 1ngw s THR 13 N 2.93 1.38 0.28 6.45 -4.23 -1.21 -4.81 115.64 116.44 1ngw s THR 13 Ca 0.08 -1.81 0.07 0.00 -1.18 0.00 0.00 61.69 58.85 1ngw s THR 13 Cb -0.09 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.52 1ngw s THR 13 CO -0.16 0.00 0.26 -0.89 -0.54 0.00 0.00 174.62 173.30 1ngw s THR 14 N -2.83 4.26 0.08 3.99 2.01 -1.26 -0.81 115.64 121.08 1ngw s THR 14 Ca 0.17 -1.32 -0.31 0.00 0.31 0.00 0.00 61.69 60.55 1ngw s THR 14 Cb 0.00 -3.39 -0.09 0.00 0.01 0.00 0.00 72.50 69.03 1ngw s THR 14 CO 0.10 -0.28 1.82 -0.69 -0.69 0.00 0.00 174.62 174.88 1ngw s VAL 15 N -2.17 2.82 0.00 3.82 1.01 -1.26 -1.21 120.40 123.42 1ngw s VAL 15 Ca 0.36 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1ngw s VAL 15 Cb -0.08 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1ngw s VAL 15 CO 0.26 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1ngw n GLY 16 N 4.26 2.50 3.86 4.51 0.00 0.12 -4.96 105.19 115.49 1ngw n GLY 16 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1ngw n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ngw s ASP 17 N -1.32 4.53 0.01 1.61 2.15 -0.35 -4.50 116.67 118.81 1ngw s ASP 17 Ca 0.00 0.97 0.02 0.00 0.43 0.00 0.00 52.55 53.97 1ngw s ASP 17 Cb 0.00 -1.59 -0.04 0.00 -0.30 0.00 0.00 42.92 40.99 1ngw s ASP 17 CO 0.00 -1.91 0.01 0.00 -0.17 0.00 0.00 175.17 173.10 1ngw s ARG 18 N -5.41 2.78 -0.02 4.34 1.70 -1.26 -1.33 118.95 119.76 1ngw s ARG 18 Ca 0.61 -0.63 0.04 0.00 -0.47 0.00 0.00 55.73 55.28 1ngw s ARG 18 Cb -0.12 -2.67 -0.03 0.00 -0.57 0.00 0.00 34.95 31.56 1ngw s ARG 18 CO 0.51 0.61 -0.13 0.08 -1.08 0.00 0.00 175.30 175.29 1ngw s VAL 19 N -1.14 3.16 -0.08 4.99 1.01 -0.62 -4.94 120.40 122.79 1ngw s VAL 19 Ca 0.21 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1ngw s VAL 19 Cb -0.12 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.99 1ngw s VAL 19 CO 0.12 0.48 -0.06 -0.44 0.00 0.00 0.00 175.10 175.21 1ngw s SER 20 N -1.07 1.62 -0.08 3.32 0.01 -1.26 -1.70 113.70 114.54 1ngw s SER 20 Ca 0.14 -0.20 0.03 0.00 1.31 0.00 0.00 55.95 57.23 1ngw s SER 20 Cb -0.11 -0.64 0.00 0.00 0.21 0.00 0.00 66.02 65.49 1ngw s SER 20 CO 0.03 -0.09 -0.19 -0.63 0.41 0.00 0.00 173.24 172.78 1ngw s ILE 21 N 1.34 1.65 0.06 1.44 1.01 -0.65 -4.66 121.20 121.40 1ngw s ILE 21 Ca -0.03 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 59.89 1ngw s ILE 21 Cb -0.14 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 1ngw s ILE 21 CO -0.03 0.47 -0.10 -0.89 0.00 0.00 0.00 174.94 174.39 1ngw s THR 22 N 0.44 3.41 -0.08 2.92 2.01 -0.34 -0.53 115.64 123.46 1ngw s THR 22 Ca -0.16 -1.06 -0.02 0.00 0.31 0.00 0.00 61.69 60.76 1ngw s THR 22 Cb -0.17 -2.54 0.03 0.00 0.01 0.00 0.00 72.50 69.84 1ngw s THR 22 CO 0.06 0.25 0.02 0.00 -0.69 0.00 0.00 174.62 174.26 1ngw s LYS 24 N 1.99 3.29 0.55 0.00 1.02 0.55 -1.21 119.74 125.93 1ngw s LYS 24 Ca 0.04 -0.33 -0.03 0.00 0.02 0.00 0.00 55.97 55.68 1ngw s LYS 24 Cb -0.13 -2.97 0.02 0.00 -0.52 0.00 0.00 37.83 34.23 1ngw s LYS 24 CO -0.05 0.63 0.82 0.00 -0.92 0.00 0.00 175.35 175.83 1ngw s ALA 25 N -0.67 3.54 -1.75 5.17 0.00 0.25 -0.70 121.76 127.61 1ngw s ALA 25 Ca 0.11 -0.96 0.24 0.00 0.00 0.00 0.00 51.96 51.35 1ngw s ALA 25 Cb -0.12 -2.35 0.23 0.00 0.00 0.00 0.00 23.12 20.88 1ngw s ALA 25 CO 0.02 -0.72 1.23 -1.13 0.00 0.00 0.00 175.76 175.17 1ngw n SER 26 N -2.42 1.49 -3.55 0.00 3.41 -1.18 -4.92 113.62 106.46 1ngw n SER 26 Ca 0.05 -1.17 -0.14 0.00 -0.26 0.00 0.00 58.87 57.35 1ngw n SER 26 Cb 0.58 0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 64.91 1ngw n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ngw s GLN 27 N -2.59 0.82 0.19 4.33 -2.07 -1.26 -5.01 119.66 114.08 1ngw s GLN 27 Ca 0.18 0.16 -0.33 0.00 -1.82 0.00 0.00 55.36 53.55 1ngw s GLN 27 Cb 0.18 0.39 -0.14 0.00 -1.09 0.00 0.00 33.01 32.35 1ngw s GLN 27 CO 0.60 -0.26 1.51 -1.71 -1.32 0.00 0.00 175.29 174.11 1ngw n ASN 28 N 0.73 2.96 -0.08 12.60 5.15 -1.26 -4.86 115.26 130.50 1ngw n ASN 28 Ca -0.14 1.11 -0.13 0.00 -0.60 0.00 0.00 54.58 54.82 1ngw n ASN 28 Cb 0.58 -1.43 -0.06 0.00 -0.53 0.00 0.00 39.78 38.34 1ngw n ASN 28 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1ngw n VAL 29 N 2.77 0.87 0.00 3.44 0.24 -0.82 -5.03 118.33 119.80 1ngw n VAL 29 Ca 0.15 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1ngw n VAL 29 Cb 0.30 -1.31 0.00 0.00 -1.47 0.00 0.00 33.84 31.35 1ngw n VAL 29 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ngw n GLY 30 N 2.46 1.01 0.00 7.63 0.00 -1.20 -4.70 105.19 110.40 1ngw n GLY 30 Ca -0.29 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1ngw n GLY 30 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ngw n THR 31 N 0.00 0.00 -0.67 2.61 -2.24 -1.26 -2.96 114.28 109.76 1ngw n THR 31 Ca 0.00 -0.12 -0.21 0.00 -2.27 0.00 0.00 64.05 61.45 1ngw n THR 31 Cb 0.00 0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 68.80 1ngw n THR 31 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1ngw n PRO 32 N -1.42 1.70 -4.37 -0.78 -0.02 -1.26 -2.64 135.00 126.21 1ngw n PRO 32 Ca -0.00 -1.35 -0.28 0.00 -2.02 0.00 0.00 63.50 59.85 1ngw n PRO 32 Cb 0.02 -2.43 -0.12 0.00 -0.02 0.00 0.00 33.50 30.95 1ngw n PRO 32 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ngw s VAL 33 N 3.84 2.58 0.19 -1.45 1.01 -1.26 -0.30 120.40 125.02 1ngw s VAL 33 Ca 0.36 -1.80 -0.07 0.00 0.00 0.00 0.00 61.98 60.48 1ngw s VAL 33 Cb 0.09 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1ngw s VAL 33 CO -0.01 -0.02 0.26 0.00 0.00 0.00 0.00 175.10 175.33 1ngw s ALA 34 N -1.43 0.39 0.01 5.51 0.00 -0.13 -0.11 121.76 126.00 1ngw s ALA 34 Ca 0.19 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1ngw s ALA 34 Cb -0.09 1.07 -0.01 0.00 0.00 0.00 0.00 23.12 24.09 1ngw s ALA 34 CO 0.10 -0.66 -0.05 -1.58 0.00 0.00 0.00 175.76 173.57 1ngw s TRP 35 N -4.05 0.40 0.11 0.00 0.52 -0.04 -0.20 118.94 115.68 1ngw s TRP 35 Ca 0.26 -0.17 0.06 0.00 0.02 0.00 0.00 56.10 56.27 1ngw s TRP 35 Cb 0.04 -0.25 -0.04 0.00 -1.15 0.00 0.00 33.47 32.07 1ngw s TRP 35 CO 0.06 -0.03 -0.15 0.71 0.02 0.00 0.00 176.95 177.56 1ngw s TYR 36 N -0.39 1.46 -0.13 -1.98 1.51 0.22 -1.25 117.35 116.79 1ngw s TYR 36 Ca -0.01 -0.51 0.02 0.00 -1.01 0.00 0.00 57.07 55.55 1ngw s TYR 36 Cb -0.03 -0.77 -0.00 0.00 -0.11 0.00 0.00 41.96 41.04 1ngw s TYR 36 CO -0.00 0.15 -0.19 -1.14 -1.11 0.00 0.00 175.55 173.27 1ngw s GLN 37 N -2.42 3.17 -0.22 -0.62 0.74 -0.20 -0.75 119.66 119.36 1ngw s GLN 37 Ca 0.07 -0.80 0.01 0.00 0.05 0.00 0.00 55.36 54.70 1ngw s GLN 37 Cb -0.07 -2.48 0.05 0.00 1.10 0.00 0.00 33.01 31.62 1ngw s GLN 37 CO 0.03 0.13 -0.08 -1.14 -0.55 0.00 0.00 175.29 173.68 1ngw s GLN 38 N 0.51 1.89 0.42 1.67 0.74 0.15 -0.62 119.66 124.42 1ngw s GLN 38 Ca -0.12 -0.99 -0.14 0.00 0.05 0.00 0.00 55.36 54.16 1ngw s GLN 38 Cb -0.17 -2.57 -0.08 0.00 1.10 0.00 0.00 33.01 31.29 1ngw s GLN 38 CO 0.05 -0.53 0.83 0.15 -0.55 0.00 0.00 175.29 175.24 1ngw s LYS 39 N 1.34 3.91 0.03 1.67 1.02 -1.26 -1.56 119.74 124.89 1ngw s LYS 39 Ca -0.05 0.69 -0.35 0.00 0.02 0.00 0.00 55.97 56.28 1ngw s LYS 39 Cb -0.18 -2.32 -0.14 0.00 -0.52 0.00 0.00 37.83 34.67 1ngw s LYS 39 CO -0.07 -0.05 1.64 -0.35 -0.92 0.00 0.00 175.35 175.60 1ngw n PRO 40 N -1.11 1.88 0.00 -1.68 -0.04 -1.26 -3.68 135.00 129.11 1ngw n PRO 40 Ca 0.04 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 1ngw n PRO 40 Cb 0.54 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 1ngw n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ngw n GLY 41 N 3.63 1.19 3.26 0.55 0.00 -1.26 -5.05 105.19 107.51 1ngw n GLY 41 Ca 0.20 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 1ngw n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ngw n GLN 42 N 0.00 -2.14 -1.52 1.61 10.64 -1.24 -5.02 117.38 119.71 1ngw n GLN 42 Ca 0.00 -0.61 -0.21 0.00 -1.83 0.00 0.00 57.00 54.35 1ngw n GLN 42 Cb 0.00 -1.75 0.14 0.00 -0.86 0.00 0.00 30.24 27.77 1ngw n GLN 42 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1ngw n SER 43 N -2.44 0.24 -4.78 2.61 3.41 -1.26 -4.57 113.62 106.82 1ngw n SER 43 Ca 0.02 -1.44 -0.33 0.00 -0.26 0.00 0.00 58.87 56.86 1ngw n SER 43 Cb 0.57 -0.71 0.04 0.00 -0.26 0.00 0.00 64.21 63.85 1ngw n SER 43 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1ngw s PRO 44 N -5.02 2.96 -0.04 4.33 0.02 -1.26 -4.51 135.00 131.46 1ngw s PRO 44 Ca 0.55 1.31 0.05 0.00 0.02 0.00 0.00 61.00 62.93 1ngw s PRO 44 Cb -0.02 -1.98 -0.01 0.00 0.02 0.00 0.00 34.50 32.52 1ngw s PRO 44 CO 0.38 -1.12 -0.19 0.15 -0.33 0.00 0.00 177.00 175.89 1ngw s LYS 45 N -4.13 1.97 0.21 5.54 3.01 0.21 -4.94 119.74 121.60 1ngw s LYS 45 Ca 0.65 -0.70 -0.30 0.00 -1.01 0.00 0.00 55.97 54.62 1ngw s LYS 45 Cb -0.19 -1.71 -0.08 0.00 -1.01 0.00 0.00 37.83 34.84 1ngw s LYS 45 CO 0.41 0.30 1.16 -1.17 0.51 0.00 0.00 175.35 176.56 1ngw s LEU 46 N -0.06 4.48 -0.07 3.17 2.96 -1.26 -1.03 118.68 126.86 1ngw s LEU 46 Ca -0.03 2.23 -0.03 0.00 -0.22 0.00 0.00 54.13 56.08 1ngw s LEU 46 Cb -0.12 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 1ngw s LEU 46 CO 0.02 -0.30 -0.08 0.18 -1.32 0.00 0.00 176.35 174.84 1ngw n LEU 47 N 2.17 1.02 -3.78 -0.68 4.77 -0.38 -4.79 117.00 115.33 1ngw n LEU 47 Ca 0.03 0.06 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 1ngw n LEU 47 Cb 0.45 -0.21 -0.13 0.00 -2.33 0.00 0.00 43.42 41.19 1ngw n LEU 47 CO 0.55 0.24 -0.20 -0.63 -1.33 0.00 0.00 177.39 176.03 1ngw s ILE 48 N -2.13 -0.02 0.34 -0.08 1.01 -1.07 -2.31 121.20 116.93 1ngw s ILE 48 Ca -0.10 0.08 0.07 0.00 0.00 0.00 0.00 60.65 60.71 1ngw s ILE 48 Cb 0.03 -0.24 -0.07 0.00 0.01 0.00 0.00 42.46 42.19 1ngw s ILE 48 CO 0.13 0.03 -0.02 -0.72 0.00 0.00 0.00 174.94 174.36 1ngw s TYR 49 N 0.62 2.20 -1.44 3.97 1.13 -0.81 -0.86 117.35 122.16 1ngw s TYR 49 Ca -0.04 -0.71 -0.11 0.00 -1.41 0.00 0.00 57.07 54.80 1ngw s TYR 49 Cb -0.06 -1.39 0.07 0.00 -1.10 0.00 0.00 41.96 39.48 1ngw s TYR 49 CO -0.03 0.33 0.71 0.45 -2.51 0.00 0.00 175.55 174.50 1ngw n SER 50 N -0.76 -4.60 0.00 -0.18 2.88 -0.89 -2.06 113.62 108.02 1ngw n SER 50 Ca -0.04 -0.54 0.00 0.00 -1.33 0.00 0.00 58.87 56.96 1ngw n SER 50 Cb 0.65 -3.73 0.00 0.00 -0.75 0.00 0.00 64.21 60.38 1ngw n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ngw n ALA 51 N -4.01 0.00 0.00 -1.46 0.00 0.85 -4.11 120.51 111.78 1ngw n ALA 51 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1ngw n ALA 51 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1ngw n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ngw n SER 52 N 0.70 0.47 -4.76 0.00 3.41 -1.18 -3.35 113.62 108.91 1ngw n SER 52 Ca 0.00 -0.08 -0.40 0.00 -0.26 0.00 0.00 58.87 58.13 1ngw n SER 52 Cb 0.00 0.26 -0.05 0.00 -0.26 0.00 0.00 64.21 64.16 1ngw n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ngw s ASN 53 N -0.36 7.38 0.04 4.04 0.01 -0.87 -4.53 114.94 120.64 1ngw s ASN 53 Ca 0.00 2.09 -0.14 0.00 -0.71 0.00 0.00 52.86 54.10 1ngw s ASN 53 Cb 0.00 -2.61 -0.06 0.00 0.41 0.00 0.00 41.25 38.99 1ngw s ASN 53 CO 0.00 -0.05 0.44 -0.13 -1.51 0.00 0.00 177.10 175.85 1ngw s ARG 54 N -1.48 3.92 0.47 -0.60 0.52 -1.26 -1.92 118.95 118.59 1ngw s ARG 54 Ca 0.45 0.41 -0.21 0.00 -0.52 0.00 0.00 55.73 55.85 1ngw s ARG 54 Cb -0.28 -3.15 -0.08 0.00 0.52 0.00 0.00 34.95 31.96 1ngw s ARG 54 CO 0.35 0.64 1.07 -0.47 0.02 0.00 0.00 175.30 176.91 1ngw s TYR 55 N -1.18 3.01 0.20 -0.53 5.04 -0.98 -4.90 117.35 118.01 1ngw s TYR 55 Ca 0.27 1.59 -0.32 0.00 -2.44 0.00 0.00 57.07 56.17 1ngw s TYR 55 Cb -0.16 -3.15 -0.14 0.00 0.35 0.00 0.00 41.96 38.85 1ngw s TYR 55 CO 0.15 -0.96 1.33 0.25 -1.34 0.00 0.00 175.55 174.99 1ngw n THR 56 N -0.71 0.80 0.00 4.34 -2.24 -1.26 -1.92 114.28 113.29 1ngw n THR 56 Ca 0.08 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1ngw n THR 56 Cb 0.51 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 1ngw n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ngw n GLY 57 N 2.23 3.09 3.67 3.38 0.00 -1.26 -5.04 105.19 111.25 1ngw n GLY 57 Ca 0.14 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 1ngw n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ngw s VAL 58 N -0.78 3.02 0.53 1.61 1.01 -0.81 -4.93 120.40 120.04 1ngw s VAL 58 Ca 0.00 0.12 -0.22 0.00 0.00 0.00 0.00 61.98 61.88 1ngw s VAL 58 Cb 0.00 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 1ngw s VAL 58 CO 0.00 -0.01 1.35 -2.16 0.00 0.00 0.00 175.10 174.29 1ngw s PRO 59 N 4.12 3.22 0.04 2.72 0.04 -1.26 -4.87 135.00 139.00 1ngw s PRO 59 Ca 0.85 2.23 0.02 0.00 0.04 0.00 0.00 61.00 64.14 1ngw s PRO 59 Cb -0.42 -2.30 0.13 0.00 0.04 0.00 0.00 34.50 31.95 1ngw s PRO 59 CO 0.39 -1.13 0.98 -0.40 0.04 0.00 0.00 177.00 176.89 1ngw n ASP 60 N -0.93 0.06 0.26 6.66 3.85 -1.26 -1.88 116.55 123.31 1ngw n ASP 60 Ca 0.10 0.44 0.17 0.00 -0.71 0.00 0.00 54.79 54.78 1ngw n ASP 60 Cb 0.45 -0.44 0.65 0.00 -1.35 0.00 0.00 41.12 40.42 1ngw n ASP 60 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.20 176.27 1ngw h ARG 61 N 0.00 0.00 -5.66 0.11 0.11 -1.93 -3.42 114.38 103.59 1ngw h ARG 61 Ca 0.00 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.49 1ngw h ARG 61 Cb 0.20 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 31.19 1ngw h ARG 61 CO 0.00 0.00 -0.05 -0.06 0.10 0.00 0.00 179.97 179.96 1ngw s PHE 62 N -3.61 3.44 -0.05 4.08 0.08 -0.79 -0.39 117.98 120.74 1ngw s PHE 62 Ca 0.02 0.87 0.02 0.00 0.12 0.00 0.00 56.93 57.95 1ngw s PHE 62 Cb 0.09 -2.65 0.01 0.00 -0.57 0.00 0.00 43.02 39.90 1ngw s PHE 62 CO 0.53 0.00 -0.10 0.99 -0.10 0.00 0.00 175.22 176.54 1ngw s THR 63 N 1.23 0.98 -0.13 0.64 2.01 0.11 -4.95 115.64 115.53 1ngw s THR 63 Ca 0.26 -0.40 -0.02 0.00 0.31 0.00 0.00 61.69 61.84 1ngw s THR 63 Cb -0.15 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 1ngw s THR 63 CO 0.10 0.32 -0.06 -0.83 -0.69 0.00 0.00 174.62 173.46 1ngw s GLY 64 N 0.61 1.69 0.00 4.40 0.00 -1.26 0.11 107.32 112.87 1ngw s GLY 64 Ca -0.12 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.76 1ngw s GLY 64 CO 0.02 -0.25 0.00 -1.14 0.00 0.00 0.00 173.10 171.74 1ngw n SER 65 N 3.16 0.00 -0.98 1.64 3.41 -0.15 -4.27 113.62 116.44 1ngw n SER 65 Ca -0.18 -0.14 0.12 0.00 -0.26 0.00 0.00 58.87 58.41 1ngw n SER 65 Cb 0.53 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1ngw n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngw n GLY 66 N 0.00 -2.84 3.52 5.00 0.00 -1.26 -2.90 105.19 106.72 1ngw n GLY 66 Ca 0.00 -1.20 -0.08 0.00 0.00 0.00 0.00 46.02 44.74 1ngw n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ngw s SER 67 N -6.35 -0.34 0.00 1.61 0.15 -0.92 -4.83 113.70 103.02 1ngw s SER 67 Ca 0.00 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.70 1ngw s SER 67 Cb 0.00 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1ngw s SER 67 CO 0.00 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.50 1ngw n GLY 68 N -0.12 1.34 0.00 9.45 0.00 -1.16 -4.10 105.19 110.60 1ngw n GLY 68 Ca -0.08 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1ngw n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ngw n THR 69 N 0.00 0.00 -4.03 2.61 -2.24 -1.26 -1.95 114.28 107.41 1ngw n THR 69 Ca 0.00 -0.02 -0.35 0.00 -2.27 0.00 0.00 64.05 61.41 1ngw n THR 69 Cb 0.00 0.28 -0.14 0.00 -2.10 0.00 0.00 70.33 68.37 1ngw n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ngw s ASP 70 N -0.66 4.15 0.21 3.42 -0.00 -1.26 -0.58 116.67 121.95 1ngw s ASP 70 Ca 0.00 -0.41 0.11 0.00 -0.00 0.00 0.00 52.55 52.25 1ngw s ASP 70 Cb 0.00 -1.70 -0.05 0.00 -0.00 0.00 0.00 42.92 41.18 1ngw s ASP 70 CO 0.00 0.00 -0.21 -0.36 -0.00 0.00 0.00 175.17 174.60 1ngw s PHE 71 N 1.32 2.19 -0.03 4.23 0.40 -0.35 -2.16 117.98 123.57 1ngw s PHE 71 Ca 0.04 -0.38 -0.17 0.00 -0.60 0.00 0.00 56.93 55.82 1ngw s PHE 71 Cb -0.14 -1.04 0.03 0.00 0.51 0.00 0.00 43.02 42.38 1ngw s PHE 71 CO -0.03 0.53 0.38 -0.08 0.70 0.00 0.00 175.22 176.71 1ngw s THR 72 N -2.04 0.04 -0.05 0.64 -1.32 -1.14 0.05 115.64 111.82 1ngw s THR 72 Ca 0.23 -0.35 0.05 0.00 -1.21 0.00 0.00 61.69 60.41 1ngw s THR 72 Cb -0.06 -0.67 -0.01 0.00 -1.51 0.00 0.00 72.50 70.25 1ngw s THR 72 CO 0.11 -0.19 -0.22 -0.22 -2.21 0.00 0.00 174.62 171.89 1ngw s LEU 73 N -1.15 2.01 0.02 9.08 2.96 0.30 -0.97 118.68 130.93 1ngw s LEU 73 Ca -0.12 -0.44 0.06 0.00 -0.22 0.00 0.00 54.13 53.41 1ngw s LEU 73 Cb -0.04 -1.19 -0.02 0.00 0.50 0.00 0.00 46.19 45.43 1ngw s LEU 73 CO 0.05 0.21 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.22 1ngw s THR 74 N -0.12 1.45 -0.32 3.68 2.01 0.30 -1.63 115.64 121.00 1ngw s THR 74 Ca -0.02 -0.99 -0.03 0.00 0.31 0.00 0.00 61.69 60.96 1ngw s THR 74 Cb -0.12 -1.25 0.06 0.00 0.01 0.00 0.00 72.50 71.19 1ngw s THR 74 CO 0.03 0.24 0.05 -0.63 -0.69 0.00 0.00 174.62 173.61 1ngw s ILE 75 N -0.66 3.18 0.06 1.82 1.01 -0.69 0.04 121.20 125.96 1ngw s ILE 75 Ca 0.06 -1.44 -0.25 0.00 0.00 0.00 0.00 60.65 59.02 1ngw s ILE 75 Cb -0.08 -2.88 -0.17 0.00 0.01 0.00 0.00 42.46 39.35 1ngw s ILE 75 CO 0.01 -0.21 1.59 0.28 0.00 0.00 0.00 174.94 176.61 1ngw h SER 76 N 8.04 -0.13 -2.28 3.58 0.02 -1.03 -1.64 113.55 120.11 1ngw h SER 76 Ca -0.20 -0.10 -0.59 0.00 -0.84 0.00 0.00 61.79 60.05 1ngw h SER 76 Cb 1.06 0.03 -0.41 0.00 0.14 0.00 0.00 62.40 63.22 1ngw h SER 76 CO 0.57 0.02 -0.70 0.59 -1.14 0.00 0.00 176.83 176.17 1ngw n ASN 77 N -5.10 2.83 -4.61 3.07 3.02 -1.26 -4.11 115.26 109.10 1ngw n ASN 77 Ca -0.08 -3.23 -0.64 0.00 -0.03 0.00 0.00 54.58 50.60 1ngw n ASN 77 Cb 0.14 -0.67 -0.10 0.00 -0.61 0.00 0.00 39.78 38.53 1ngw n ASN 77 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1ngw n MET 78 N 1.18 0.23 -4.39 3.52 0.00 -0.44 -4.51 117.12 112.70 1ngw n MET 78 Ca 0.27 0.08 -0.28 0.00 -0.00 0.00 0.00 57.70 57.77 1ngw n MET 78 Cb 0.43 -1.64 -0.13 0.00 0.00 0.00 0.00 33.22 31.88 1ngw n MET 78 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1ngw s GLN 79 N 3.94 1.40 0.56 2.12 -0.21 -1.26 0.15 119.66 126.35 1ngw s GLN 79 Ca 1.08 -1.37 0.45 0.00 0.02 0.00 0.00 55.36 55.54 1ngw s GLN 79 Cb -1.41 -1.85 1.66 0.00 1.00 0.00 0.00 33.01 32.42 1ngw s GLN 79 CO 0.74 0.43 1.64 1.03 -2.12 0.00 0.00 175.29 177.02 1ngw h SER 80 N 3.77 0.00 0.00 5.90 0.87 -1.92 0.45 113.55 122.62 1ngw h SER 80 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1ngw h SER 80 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1ngw h SER 80 CO 0.41 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 176.09 1ngw n GLU 81 N -3.99 0.64 0.00 2.24 4.71 -1.26 -2.17 120.64 120.81 1ngw n GLU 81 Ca 0.38 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.57 1ngw n GLU 81 Cb 1.75 -1.30 0.03 0.00 -1.01 0.00 0.00 31.44 30.91 1ngw n GLU 81 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1ngw n ASP 82 N -0.80 1.66 -4.67 1.62 8.00 0.16 -4.96 116.55 117.55 1ngw n ASP 82 Ca 0.09 -1.33 -0.43 0.00 0.71 0.00 0.00 54.79 53.83 1ngw n ASP 82 Cb 0.04 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 1ngw n ASP 82 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1ngw n LEU 83 N 0.36 4.04 0.00 0.64 0.00 -0.92 -4.82 117.00 116.30 1ngw n LEU 83 Ca 0.05 0.92 0.00 0.00 0.00 0.00 0.00 56.01 56.98 1ngw n LEU 83 Cb 0.23 -1.50 0.00 0.00 0.00 0.00 0.00 43.42 42.15 1ngw n LEU 83 CO 0.07 0.16 0.00 0.00 0.00 0.00 0.00 177.39 177.62 1ngw n ALA 84 N 7.28 0.00 -2.68 1.96 0.00 -1.19 -4.82 120.51 121.06 1ngw n ALA 84 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.32 1ngw n ALA 84 Cb 0.39 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.75 1ngw n ALA 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ngw s ASP 85 N -4.00 5.09 0.07 0.00 -0.00 -0.60 -0.51 116.67 116.71 1ngw s ASP 85 Ca 0.00 -0.02 0.08 0.00 -0.00 0.00 0.00 52.55 52.61 1ngw s ASP 85 Cb 0.00 -1.32 -0.03 0.00 -0.00 0.00 0.00 42.92 41.57 1ngw s ASP 85 CO 0.00 0.28 -0.21 -0.31 -0.00 0.00 0.00 175.17 174.93 1ngw s TYR 86 N -1.08 1.85 0.02 4.23 2.02 0.23 -0.67 117.35 123.94 1ngw s TYR 86 Ca 0.19 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.54 1ngw s TYR 86 Cb -0.11 -1.07 -0.02 0.00 -0.40 0.00 0.00 41.96 40.36 1ngw s TYR 86 CO 0.10 0.14 -0.10 -0.06 -1.57 0.00 0.00 175.55 174.06 1ngw s PHE 87 N -0.93 0.91 -0.07 2.71 0.08 0.07 -1.37 117.98 119.38 1ngw s PHE 87 Ca 0.08 -0.31 -0.03 0.00 0.12 0.00 0.00 56.93 56.79 1ngw s PHE 87 Cb -0.09 -0.55 -0.04 0.00 -0.57 0.00 0.00 43.02 41.77 1ngw s PHE 87 CO 0.03 -0.01 0.06 0.00 -0.10 0.00 0.00 175.22 175.20 1ngw s GLN 89 N -1.13 0.82 -0.08 0.00 0.74 0.72 0.50 119.66 121.22 1ngw s GLN 89 Ca 0.16 -1.18 0.02 0.00 0.05 0.00 0.00 55.36 54.40 1ngw s GLN 89 Cb -0.12 -0.43 0.02 0.00 1.10 0.00 0.00 33.01 33.58 1ngw s GLN 89 CO 0.06 0.05 -0.12 -1.14 -0.55 0.00 0.00 175.29 173.59 1ngw s GLN 90 N -3.01 1.77 -0.31 1.67 -0.44 -0.01 -0.95 119.66 118.38 1ngw s GLN 90 Ca 0.06 -0.41 0.15 0.00 -2.50 0.00 0.00 55.36 52.66 1ngw s GLN 90 Cb -0.01 -1.54 0.47 0.00 -1.64 0.00 0.00 33.01 30.30 1ngw s GLN 90 CO -0.01 -0.04 1.09 2.48 0.50 0.00 0.00 175.29 179.31 1ngw n TYR 91 N 4.10 1.92 -0.08 1.67 4.11 0.60 -2.64 117.16 126.83 1ngw n TYR 91 Ca -0.20 -2.45 -0.09 0.00 -0.00 0.00 0.00 57.90 55.16 1ngw n TYR 91 Cb 0.51 -0.27 -0.12 0.00 -0.00 0.00 0.00 39.34 39.46 1ngw n TYR 91 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 1ngw n SER 92 N -0.49 1.28 -4.06 9.48 3.41 -1.26 -4.91 113.62 117.07 1ngw n SER 92 Ca 0.21 -0.02 -0.20 0.00 -0.26 0.00 0.00 58.87 58.61 1ngw n SER 92 Cb 0.83 0.72 -0.15 0.00 -0.26 0.00 0.00 64.21 65.35 1ngw n SER 92 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ngw s SER 93 N -5.10 1.29 0.29 4.04 0.15 -1.26 -5.13 113.70 107.98 1ngw s SER 93 Ca -0.11 -0.22 -0.24 0.00 0.70 0.00 0.00 55.95 56.08 1ngw s SER 93 Cb 0.05 -0.14 -0.09 0.00 -1.71 0.00 0.00 66.02 64.13 1ngw s SER 93 CO 0.62 0.12 0.87 -0.31 1.20 0.00 0.00 173.24 175.75 1ngw s TYR 94 N -0.31 3.69 0.44 3.44 2.02 -1.26 -3.95 117.35 121.42 1ngw s TYR 94 Ca 0.04 1.66 -0.18 0.00 -0.37 0.00 0.00 57.07 58.22 1ngw s TYR 94 Cb -0.04 -2.83 -0.10 0.00 -0.40 0.00 0.00 41.96 38.59 1ngw s TYR 94 CO -0.00 0.26 0.93 -1.25 -1.57 0.00 0.00 175.55 173.92 1ngw s PRO 95 N -1.99 4.10 0.26 -1.71 0.04 -1.26 -4.92 135.00 129.52 1ngw s PRO 95 Ca 0.47 0.99 -0.31 0.00 0.04 0.00 0.00 61.00 62.20 1ngw s PRO 95 Cb -0.18 -2.20 -0.13 0.00 0.04 0.00 0.00 34.50 32.03 1ngw s PRO 95 CO 0.23 -0.08 1.45 1.28 0.04 0.00 0.00 177.00 179.92 1ngw n LEU 96 N -0.93 3.46 -4.34 -3.56 4.32 -1.25 -4.81 117.00 109.88 1ngw n LEU 96 Ca 0.06 1.15 -0.26 0.00 -0.02 0.00 0.00 56.01 56.94 1ngw n LEU 96 Cb 0.54 -1.47 -0.13 0.00 -1.62 0.00 0.00 43.42 40.74 1ngw n LEU 96 CO 0.41 -0.33 -0.54 -0.89 -1.22 0.00 0.00 177.39 174.82 1ngw s THR 97 N -0.12 1.99 0.19 -5.08 2.01 -1.08 -4.98 115.64 108.58 1ngw s THR 97 Ca 0.66 -1.66 0.10 0.00 0.31 0.00 0.00 61.69 61.11 1ngw s THR 97 Cb -0.60 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 1ngw s THR 97 CO 0.50 0.01 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.91 1ngw s PHE 98 N -1.12 2.43 0.66 4.92 0.08 -1.26 -0.83 117.98 122.87 1ngw s PHE 98 Ca 0.10 -0.30 -0.06 0.00 0.12 0.00 0.00 56.93 56.79 1ngw s PHE 98 Cb -0.10 -1.19 0.05 0.00 -0.57 0.00 0.00 43.02 41.21 1ngw s PHE 98 CO 0.05 0.52 0.96 0.20 -0.10 0.00 0.00 175.22 176.85 1ngw s GLY 99 N -2.78 1.68 0.12 4.36 0.00 0.18 -4.47 107.32 106.41 1ngw s GLY 99 Ca 0.23 -0.91 0.13 0.00 0.00 0.00 0.00 44.72 44.17 1ngw s GLY 99 CO 0.12 -0.55 1.39 0.61 0.00 0.00 0.00 173.10 174.68 1ngw n GLY 100 N -2.79 -0.84 0.00 0.20 0.00 -1.25 -4.63 105.19 95.87 1ngw n GLY 100 Ca 0.07 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1ngw n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ngw n GLY 101 N -0.82 -1.38 3.11 -0.02 0.00 -1.26 -5.03 105.19 99.79 1ngw n GLY 101 Ca 0.01 -1.44 -0.24 0.00 0.00 0.00 0.00 46.02 44.35 1ngw n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ngw s THR 102 N -3.39 1.22 -0.20 2.61 2.01 -0.47 -4.68 115.64 112.73 1ngw s THR 102 Ca 0.00 -0.63 -0.10 0.00 0.31 0.00 0.00 61.69 61.28 1ngw s THR 102 Cb 0.00 -1.04 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 1ngw s THR 102 CO 0.00 0.35 0.12 -0.75 -0.69 0.00 0.00 174.62 173.65 1ngw s LYS 103 N -0.11 4.14 -0.34 4.92 2.20 -0.80 -0.60 119.74 129.16 1ngw s LYS 103 Ca 0.01 -0.24 -0.01 0.00 -0.36 0.00 0.00 55.97 55.36 1ngw s LYS 103 Cb -0.08 -3.40 0.08 0.00 -1.51 0.00 0.00 37.83 32.91 1ngw s LYS 103 CO 0.01 0.27 0.06 0.08 -0.36 0.00 0.00 175.35 175.41 1ngw s VAL 104 N 0.44 2.93 0.45 4.02 1.01 0.33 -1.99 120.40 127.60 1ngw s VAL 104 Ca 0.07 -1.74 0.02 0.00 0.00 0.00 0.00 61.98 60.33 1ngw s VAL 104 Cb -0.11 -2.85 0.09 0.00 0.00 0.00 0.00 36.38 33.50 1ngw s VAL 104 CO -0.01 -0.35 0.62 -0.62 0.00 0.00 0.00 175.10 174.74 1ngw n GLU 105 N 4.55 0.31 -3.94 2.72 -0.58 -1.22 -3.17 120.64 119.31 1ngw n GLU 105 Ca -0.07 -1.88 -0.17 0.00 -0.42 0.00 0.00 57.16 54.62 1ngw n GLU 105 Cb 0.42 -0.36 -0.16 0.00 -0.57 0.00 0.00 31.44 30.78 1ngw n GLU 105 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1ngw s ILE 106 N -1.79 0.19 0.34 -3.67 1.01 -1.26 -3.33 121.20 112.68 1ngw s ILE 106 Ca 0.43 0.06 -0.18 0.00 0.00 0.00 0.00 60.65 60.96 1ngw s ILE 106 Cb -0.03 -0.27 -0.09 0.00 0.01 0.00 0.00 42.46 42.08 1ngw s ILE 106 CO 0.28 0.14 0.81 -0.54 0.00 0.00 0.00 174.94 175.63 1ngw s LYS 107 N 0.92 4.14 0.12 2.79 1.02 0.01 -4.96 119.74 123.78 1ngw s LYS 107 Ca -0.09 0.87 -0.26 0.00 0.02 0.00 0.00 55.97 56.50 1ngw s LYS 107 Cb -0.13 -2.45 0.07 0.00 -0.52 0.00 0.00 37.83 34.81 1ngw s LYS 107 CO -0.02 0.15 0.94 -0.98 -0.92 0.00 0.00 175.35 174.53 1ngw s ARG 108 N -2.84 1.10 0.94 1.68 1.70 -1.26 -4.43 118.95 115.84 1ngw s ARG 108 Ca 0.55 -0.57 -0.11 0.00 -0.47 0.00 0.00 55.73 55.12 1ngw s ARG 108 Cb -0.11 0.40 0.12 0.00 -0.57 0.00 0.00 34.95 34.78 1ngw s ARG 108 CO 0.17 -0.50 0.89 0.25 -1.08 0.00 0.00 175.30 175.03 1ngw n THR 109 N -0.42 0.00 -1.26 4.99 -2.24 -1.26 -4.94 114.28 109.15 1ngw n THR 109 Ca -0.07 -0.08 -0.30 0.00 -2.27 0.00 0.00 64.05 61.33 1ngw n THR 109 Cb 0.61 -0.87 0.11 0.00 -2.10 0.00 0.00 70.33 68.08 1ngw n THR 109 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ngw s VAL 110 N -2.55 3.04 -0.12 2.28 -7.23 -1.26 -4.80 120.40 109.75 1ngw s VAL 110 Ca 0.64 0.34 -0.11 0.00 -1.81 0.00 0.00 61.98 61.03 1ngw s VAL 110 Cb -0.22 -2.85 0.03 0.00 0.56 0.00 0.00 36.38 33.90 1ngw s VAL 110 CO 0.61 -0.44 0.32 0.00 -0.31 0.00 0.00 175.10 175.29 1ngw s ALA 111 N -2.94 -0.80 -0.32 1.32 0.00 0.41 -4.85 121.76 114.58 1ngw s ALA 111 Ca 0.62 0.92 -0.25 0.00 0.00 0.00 0.00 51.96 53.25 1ngw s ALA 111 Cb -0.17 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.42 1ngw s ALA 111 CO 0.56 -0.15 0.86 0.00 0.00 0.00 0.00 175.76 177.03 1ngw s ALA 112 N 0.19 3.50 0.43 0.00 0.00 -1.26 -1.95 121.76 122.67 1ngw s ALA 112 Ca -0.00 -0.37 -0.25 0.00 0.00 0.00 0.00 51.96 51.34 1ngw s ALA 112 Cb -0.02 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 1ngw s ALA 112 CO 0.00 -1.33 1.23 -1.25 0.00 0.00 0.00 175.76 174.42 1ngw s PRO 113 N 3.16 3.87 0.06 0.00 0.04 -1.26 -4.79 135.00 136.08 1ngw s PRO 113 Ca 0.35 1.97 -0.10 0.00 0.04 0.00 0.00 61.00 63.26 1ngw s PRO 113 Cb -0.13 -2.61 -0.06 0.00 0.04 0.00 0.00 34.50 31.74 1ngw s PRO 113 CO 0.14 -0.51 0.38 -1.12 0.04 0.00 0.00 177.00 175.93 1ngw s SER 114 N -1.03 6.64 0.01 6.66 0.01 -0.81 -4.86 113.70 120.32 1ngw s SER 114 Ca 0.60 0.78 0.07 0.00 1.31 0.00 0.00 55.95 58.71 1ngw s SER 114 Cb -0.34 -2.17 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 1ngw s SER 114 CO 0.42 0.21 -0.21 0.68 0.41 0.00 0.00 173.24 174.75 1ngw s VAL 115 N -1.34 1.70 0.04 3.43 -7.23 -1.26 -0.51 120.40 115.23 1ngw s VAL 115 Ca 0.31 -1.07 0.04 0.00 -1.81 0.00 0.00 61.98 59.45 1ngw s VAL 115 Cb -0.14 -1.44 -0.02 0.00 0.56 0.00 0.00 36.38 35.34 1ngw s VAL 115 CO 0.17 0.34 -0.11 -0.36 -0.31 0.00 0.00 175.10 174.83 1ngw s PHE 116 N -0.65 0.98 -0.09 2.82 0.40 -0.72 -4.97 117.98 115.75 1ngw s PHE 116 Ca 0.08 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 56.05 1ngw s PHE 116 Cb -0.09 -0.58 -0.02 0.00 0.51 0.00 0.00 43.02 42.84 1ngw s PHE 116 CO 0.01 0.00 -0.12 -1.50 0.70 0.00 0.00 175.22 174.30 1ngw s ILE 117 N -0.98 3.18 -0.29 0.64 1.10 -1.26 -1.25 121.20 122.34 1ngw s ILE 117 Ca -0.02 -0.65 0.01 0.00 -0.51 0.00 0.00 60.65 59.47 1ngw s ILE 117 Cb -0.08 -2.29 0.06 0.00 0.15 0.00 0.00 42.46 40.30 1ngw s ILE 117 CO 0.01 0.56 -0.04 -0.36 -2.11 0.00 0.00 174.94 173.00 1ngw s PHE 118 N -0.29 3.30 0.23 3.50 0.08 0.41 -5.00 117.98 120.22 1ngw s PHE 118 Ca 0.02 -2.14 -0.30 0.00 0.12 0.00 0.00 56.93 54.64 1ngw s PHE 118 Cb -0.13 -2.10 -0.10 0.00 -0.57 0.00 0.00 43.02 40.12 1ngw s PHE 118 CO 0.03 -0.85 1.50 -2.14 -0.10 0.00 0.00 175.22 173.66 1ngw s PRO 119 N 1.17 4.23 0.44 0.24 0.02 -1.26 -2.06 135.00 137.77 1ngw s PRO 119 Ca -0.06 2.37 -0.25 0.00 0.02 0.00 0.00 61.00 63.09 1ngw s PRO 119 Cb -0.20 -3.10 -0.09 0.00 0.02 0.00 0.00 34.50 31.13 1ngw s PRO 119 CO -0.03 -0.51 1.27 -0.35 -0.33 0.00 0.00 177.00 177.04 1ngw n PRO 120 N 2.75 1.87 -2.34 5.54 -0.04 -1.25 -4.92 135.00 136.61 1ngw n PRO 120 Ca 0.09 0.67 -0.37 0.00 -0.04 0.00 0.00 63.50 63.85 1ngw n PRO 120 Cb 0.39 -2.40 -0.02 0.00 -0.04 0.00 0.00 33.50 31.44 1ngw n PRO 120 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ngw s SER 121 N -0.59 6.36 0.42 3.54 1.04 -1.26 -4.90 113.70 118.31 1ngw s SER 121 Ca 0.62 2.24 0.15 0.00 0.48 0.00 0.00 55.95 59.44 1ngw s SER 121 Cb -0.49 -2.60 1.03 0.00 0.10 0.00 0.00 66.02 64.05 1ngw s SER 121 CO 0.57 -0.78 1.93 0.44 0.98 0.00 0.00 173.24 176.38 1ngw h ASP 122 N 2.23 0.41 0.35 7.02 3.32 -1.92 -2.34 116.42 125.49 1ngw h ASP 122 Ca -0.49 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 1ngw h ASP 122 Cb 1.24 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 1ngw h ASP 122 CO 0.61 0.22 -0.37 -0.08 -1.72 0.00 0.00 179.24 177.90 1ngw h GLU 123 N 0.44 -0.70 -0.91 3.56 4.81 -2.00 -2.88 114.58 116.90 1ngw h GLU 123 Ca 0.36 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.76 1ngw h GLU 123 Cb 0.77 0.16 -0.08 0.00 0.63 0.00 0.00 28.75 30.23 1ngw h GLU 123 CO -0.12 -0.47 0.53 0.37 -0.73 0.00 0.00 179.01 178.60 1ngw h GLN 124 N -0.73 0.79 -0.83 1.92 4.15 -1.75 -2.52 115.11 116.15 1ngw h GLN 124 Ca -0.04 -0.05 0.19 0.00 0.77 0.00 0.00 58.65 59.52 1ngw h GLN 124 Cb 0.64 -0.18 -0.15 0.00 0.21 0.00 0.00 27.48 28.00 1ngw h GLN 124 CO -0.06 0.53 -0.06 -0.07 -1.93 0.00 0.00 178.83 177.24 1ngw h LEU 125 N 0.82 -0.51 -0.51 -2.39 3.38 -1.27 0.04 115.31 114.88 1ngw h LEU 125 Ca 0.46 0.23 0.10 0.00 0.09 0.00 0.00 57.88 58.76 1ngw h LEU 125 Cb 0.52 0.43 -0.08 0.00 0.09 0.00 0.00 40.66 41.61 1ngw h LEU 125 CO -0.29 -0.24 -0.00 0.11 0.09 0.00 0.00 178.44 178.10 1ngw h LYS 126 N 0.05 0.11 0.00 1.13 1.79 -1.44 0.31 116.57 118.53 1ngw h LYS 126 Ca 0.45 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.91 1ngw h LYS 126 Cb 0.79 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 1ngw h LYS 126 CO -0.78 0.07 0.00 -1.13 -1.08 0.00 0.00 179.45 176.54 1ngw n SER 127 N -5.24 0.00 -0.37 0.86 3.41 -0.00 -4.77 113.62 107.51 1ngw n SER 127 Ca 0.06 0.03 -0.01 0.00 -0.26 0.00 0.00 58.87 58.69 1ngw n SER 127 Cb 0.28 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1ngw n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngw n GLY 128 N -1.03 0.68 3.48 5.00 0.00 0.10 -5.06 105.19 108.36 1ngw n GLY 128 Ca 0.00 -0.74 -0.16 0.00 0.00 0.00 0.00 46.02 45.12 1ngw n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ngw s THR 129 N -2.60 0.01 -0.31 2.61 2.01 -1.24 -3.95 115.64 112.16 1ngw s THR 129 Ca 0.01 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 61.95 1ngw s THR 129 Cb -0.00 -0.89 0.10 0.00 0.01 0.00 0.00 72.50 71.71 1ngw s THR 129 CO 0.01 -0.04 0.06 0.00 -0.69 0.00 0.00 174.62 173.96 1ngw s ALA 130 N -0.65 2.14 -0.19 7.40 0.00 -0.47 -3.51 121.76 126.49 1ngw s ALA 130 Ca -0.07 -1.99 -0.19 0.00 0.00 0.00 0.00 51.96 49.71 1ngw s ALA 130 Cb -0.02 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 1ngw s ALA 130 CO 0.06 -1.63 0.53 -1.12 0.00 0.00 0.00 175.76 173.60 1ngw s SER 131 N 1.30 6.61 -0.15 0.00 0.01 -1.26 -3.00 113.70 117.20 1ngw s SER 131 Ca 0.09 0.73 -0.03 0.00 1.31 0.00 0.00 55.95 58.05 1ngw s SER 131 Cb -0.18 -2.30 -0.02 0.00 0.21 0.00 0.00 66.02 63.72 1ngw s SER 131 CO -0.16 -0.17 -0.06 -0.69 0.41 0.00 0.00 173.24 172.57 1ngw s VAL 132 N 1.52 3.60 -0.14 3.43 1.01 -0.16 -3.78 120.40 125.88 1ngw s VAL 132 Ca 0.25 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1ngw s VAL 132 Cb -0.15 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 1ngw s VAL 132 CO 0.10 0.50 -0.15 -0.69 0.00 0.00 0.00 175.10 174.85 1ngw s VAL 133 N 0.46 2.74 -0.11 2.92 1.01 -0.87 0.41 120.40 126.95 1ngw s VAL 133 Ca -0.05 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1ngw s VAL 133 Cb -0.15 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1ngw s VAL 133 CO 0.03 0.52 -0.13 0.00 0.00 0.00 0.00 175.10 175.52 1ngw s LEU 135 N 0.14 2.03 -0.40 0.00 1.98 -0.38 0.06 118.68 122.11 1ngw s LEU 135 Ca -0.07 -0.53 -0.04 0.00 -2.89 0.00 0.00 54.13 50.59 1ngw s LEU 135 Cb -0.15 -1.34 0.10 0.00 0.66 0.00 0.00 46.19 45.46 1ngw s LEU 135 CO 0.05 0.13 0.20 -0.76 -1.89 0.00 0.00 176.35 174.08 1ngw s LEU 136 N 0.48 5.13 -0.01 -0.68 1.02 0.21 -1.76 118.68 123.07 1ngw s LEU 136 Ca -0.16 -1.85 -0.16 0.00 0.02 0.00 0.00 54.13 51.97 1ngw s LEU 136 Cb -0.17 -1.86 -0.06 0.00 0.02 0.00 0.00 46.19 44.13 1ngw s LEU 136 CO 0.06 -0.53 0.45 0.20 0.02 0.00 0.00 176.35 176.56 1ngw s ASN 137 N 1.89 6.83 -0.29 2.29 0.01 0.33 -0.77 114.94 125.23 1ngw s ASN 137 Ca 0.06 0.99 -0.26 0.00 -0.71 0.00 0.00 52.86 52.93 1ngw s ASN 137 Cb -0.23 -2.28 0.04 0.00 0.41 0.00 0.00 41.25 39.19 1ngw s ASN 137 CO -0.03 0.25 0.44 0.59 -1.51 0.00 0.00 177.10 176.84 1ngw n ASN 138 N 2.19 -4.95 -4.23 -1.22 3.02 -1.02 -1.93 115.26 107.13 1ngw n ASN 138 Ca -0.12 -0.03 -0.15 0.00 -0.03 0.00 0.00 54.58 54.26 1ngw n ASN 138 Cb 0.52 -1.37 -0.10 0.00 -0.61 0.00 0.00 39.78 38.22 1ngw n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1ngw s PHE 139 N -1.16 1.38 -0.22 3.10 -0.71 -0.64 -4.34 117.98 115.40 1ngw s PHE 139 Ca 0.25 -1.29 -0.26 0.00 -1.04 0.00 0.00 56.93 54.59 1ngw s PHE 139 Cb -0.03 -0.74 0.07 0.00 -1.21 0.00 0.00 43.02 41.11 1ngw s PHE 139 CO 0.57 -0.49 0.72 -0.47 -1.34 0.00 0.00 175.22 174.21 1ngw s TYR 140 N -3.92 -0.75 0.80 3.49 5.04 -0.82 -1.05 117.35 120.13 1ngw s TYR 140 Ca 0.38 1.72 -0.13 0.00 -2.44 0.00 0.00 57.07 56.60 1ngw s TYR 140 Cb 0.07 0.30 0.19 0.00 0.35 0.00 0.00 41.96 42.88 1ngw s TYR 140 CO 0.13 -0.43 0.90 -0.35 -1.34 0.00 0.00 175.55 174.46 1ngw n PRO 141 N 2.26 -1.67 0.20 4.97 -0.04 -1.26 0.16 135.00 139.61 1ngw n PRO 141 Ca -0.15 -1.40 0.14 0.00 -0.04 0.00 0.00 63.50 62.05 1ngw n PRO 141 Cb 0.55 -1.09 0.43 0.00 -0.04 0.00 0.00 33.50 33.36 1ngw n PRO 141 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 1ngw h ARG 142 N 0.00 0.00 -5.75 0.54 0.11 -1.99 -3.43 114.38 103.86 1ngw h ARG 142 Ca -0.31 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.28 1ngw h ARG 142 Cb 0.89 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.97 1ngw h ARG 142 CO 0.21 0.00 1.56 -1.21 0.10 0.00 0.00 179.97 180.63 1ngw s GLU 143 N -3.34 2.36 -0.01 0.08 8.01 -1.26 -4.91 118.70 119.63 1ngw s GLU 143 Ca 0.06 1.39 0.00 0.00 0.01 0.00 0.00 54.97 56.43 1ngw s GLU 143 Cb 0.08 -4.51 0.02 0.00 -4.31 0.00 0.00 34.13 25.41 1ngw s GLU 143 CO 0.57 -2.99 0.00 0.00 0.01 0.00 0.00 175.26 172.85 1ngw s ALA 144 N 11.03 0.16 -0.38 5.21 0.00 -1.26 -4.47 121.76 132.05 1ngw s ALA 144 Ca 0.93 0.11 -0.14 0.00 0.00 0.00 0.00 51.96 52.87 1ngw s ALA 144 Cb -0.19 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1ngw s ALA 144 CO 0.27 -0.04 0.26 0.15 0.00 0.00 0.00 175.76 176.40 1ngw s LYS 145 N 0.59 3.18 -0.33 0.00 1.02 -1.23 -5.00 119.74 117.96 1ngw s LYS 145 Ca -0.05 -0.86 -0.09 0.00 0.02 0.00 0.00 55.97 54.98 1ngw s LYS 145 Cb -0.08 -3.87 0.02 0.00 -0.52 0.00 0.00 37.83 33.37 1ngw s LYS 145 CO -0.01 -0.61 0.15 0.14 -0.92 0.00 0.00 175.35 174.09 1ngw s VAL 146 N 1.68 4.32 -0.14 3.17 -7.23 -1.26 -0.94 120.40 119.99 1ngw s VAL 146 Ca 0.05 -0.74 -0.01 0.00 -1.81 0.00 0.00 61.98 59.47 1ngw s VAL 146 Cb -0.18 -3.32 -0.01 0.00 0.56 0.00 0.00 36.38 33.43 1ngw s VAL 146 CO 0.10 -0.07 -0.12 -1.58 -0.31 0.00 0.00 175.10 173.12 1ngw s GLN 147 N 1.53 3.36 -0.22 4.82 0.74 0.53 -4.99 119.66 125.43 1ngw s GLN 147 Ca 0.02 -0.68 -0.17 0.00 0.05 0.00 0.00 55.36 54.58 1ngw s GLN 147 Cb -0.18 -2.68 -0.03 0.00 1.10 0.00 0.00 33.01 31.21 1ngw s GLN 147 CO 0.05 0.13 0.45 -1.58 -0.55 0.00 0.00 175.29 173.79 1ngw s TRP 148 N 0.56 3.33 -0.32 1.67 0.52 -1.26 -1.14 118.94 122.30 1ngw s TRP 148 Ca -0.08 0.63 0.02 0.00 0.02 0.00 0.00 56.10 56.69 1ngw s TRP 148 Cb -0.16 -2.61 0.10 0.00 -1.15 0.00 0.00 33.47 29.66 1ngw s TRP 148 CO 0.03 -0.12 0.05 0.15 0.02 0.00 0.00 176.95 177.09 1ngw s LYS 149 N 1.69 1.26 -0.16 4.98 1.02 0.27 -1.92 119.74 126.88 1ngw s LYS 149 Ca 0.20 -1.54 -0.23 0.00 0.02 0.00 0.00 55.97 54.42 1ngw s LYS 149 Cb -0.15 -2.76 -0.02 0.00 -0.52 0.00 0.00 37.83 34.38 1ngw s LYS 149 CO 0.09 -0.92 0.73 0.54 -0.92 0.00 0.00 175.35 174.87 1ngw s VAL 150 N 1.17 4.96 -0.32 3.17 0.11 0.10 -2.07 120.40 127.53 1ngw s VAL 150 Ca 0.09 1.43 -0.26 0.00 -2.93 0.00 0.00 61.98 60.31 1ngw s VAL 150 Cb -0.18 -4.05 0.04 0.00 -1.53 0.00 0.00 36.38 30.66 1ngw s VAL 150 CO -0.13 0.10 0.46 0.47 -3.33 0.00 0.00 175.10 172.66 1ngw n ASP 151 N 4.89 -3.71 -0.62 3.54 9.92 0.86 0.45 116.55 131.88 1ngw n ASP 151 Ca 0.01 -0.15 -0.03 0.00 -0.53 0.00 0.00 54.79 54.10 1ngw n ASP 151 Cb 0.50 -1.09 -0.01 0.00 -0.64 0.00 0.00 41.12 39.88 1ngw n ASP 151 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1ngw n ASN 152 N 0.09 -1.36 -4.36 -2.24 5.03 -1.26 -4.88 115.26 106.28 1ngw n ASN 152 Ca -0.07 0.07 -0.32 0.00 0.87 0.00 0.00 54.58 55.13 1ngw n ASN 152 Cb 0.47 -1.38 -0.15 0.00 -1.02 0.00 0.00 39.78 37.70 1ngw n ASN 152 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ngw s ALA 153 N -0.87 2.39 0.05 5.41 0.00 0.17 -5.10 121.76 123.81 1ngw s ALA 153 Ca 0.00 -1.02 -0.22 0.00 0.00 0.00 0.00 51.96 50.71 1ngw s ALA 153 Cb 0.00 -0.80 -0.06 0.00 0.00 0.00 0.00 23.12 22.25 1ngw s ALA 153 CO 0.00 0.48 0.67 -1.17 0.00 0.00 0.00 175.76 175.74 1ngw s LEU 154 N -0.42 4.48 0.58 0.00 2.96 -1.26 0.02 118.68 125.04 1ngw s LEU 154 Ca 0.04 1.35 0.07 0.00 -0.22 0.00 0.00 54.13 55.38 1ngw s LEU 154 Cb -0.12 -3.08 0.08 0.00 0.50 0.00 0.00 46.19 43.58 1ngw s LEU 154 CO 0.02 0.13 0.80 -1.10 -1.32 0.00 0.00 176.35 174.87 1ngw s GLN 155 N -0.49 2.26 0.00 1.98 -1.52 -0.81 -4.94 119.66 116.14 1ngw s GLN 155 Ca 0.34 -1.47 0.00 0.00 -1.95 0.00 0.00 55.36 52.28 1ngw s GLN 155 Cb -0.20 -2.60 0.00 0.00 -0.22 0.00 0.00 33.01 29.99 1ngw s GLN 155 CO 0.21 -0.89 0.00 -1.13 -0.25 0.00 0.00 175.29 173.23 1ngw n SER 156 N -2.31 0.00 0.00 5.90 3.41 -1.26 -4.82 113.62 114.54 1ngw n SER 156 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1ngw n SER 156 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1ngw n SER 156 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngw n GLY 157 N 0.00 2.19 2.18 5.00 0.00 -1.26 -4.92 105.19 108.38 1ngw n GLY 157 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1ngw n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ngw n ASN 158 N 0.00 4.91 -3.63 1.61 6.94 -1.26 -4.94 115.26 118.90 1ngw n ASN 158 Ca 0.00 -3.68 -0.11 0.00 -0.02 0.00 0.00 54.58 50.76 1ngw n ASN 158 Cb 0.00 -0.86 -0.07 0.00 -2.36 0.00 0.00 39.78 36.50 1ngw n ASN 158 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1ngw s SER 159 N -1.62 -0.57 0.34 0.53 1.04 -1.26 -1.89 113.70 110.28 1ngw s SER 159 Ca 0.58 1.05 0.10 0.00 0.48 0.00 0.00 55.95 58.16 1ngw s SER 159 Cb 0.48 1.04 -0.06 0.00 0.10 0.00 0.00 66.02 67.58 1ngw s SER 159 CO 0.06 -0.22 -0.10 -1.10 0.98 0.00 0.00 173.24 172.86 1ngw s GLN 160 N 0.13 1.81 -0.01 4.02 -0.21 -0.98 -4.94 119.66 119.49 1ngw s GLN 160 Ca 0.01 -1.92 -0.07 0.00 0.02 0.00 0.00 55.36 53.39 1ngw s GLN 160 Cb -0.04 -1.70 0.00 0.00 1.00 0.00 0.00 33.01 32.27 1ngw s GLN 160 CO -0.02 0.15 0.15 -1.83 -2.12 0.00 0.00 175.29 171.62 1ngw s GLU 161 N -3.60 0.45 0.05 2.91 -1.05 -1.26 -0.57 118.70 115.63 1ngw s GLU 161 Ca 0.32 -0.30 0.06 0.00 -0.15 0.00 0.00 54.97 54.90 1ngw s GLU 161 Cb 0.02 0.19 -0.03 0.00 -0.44 0.00 0.00 34.13 33.88 1ngw s GLU 161 CO 0.16 -0.11 -0.16 0.45 0.95 0.00 0.00 175.26 176.56 1ngw s SER 162 N -1.17 1.87 -0.02 0.83 0.15 -0.53 -4.98 113.70 109.85 1ngw s SER 162 Ca -0.13 -0.52 0.05 0.00 0.70 0.00 0.00 55.95 56.05 1ngw s SER 162 Cb -0.07 -0.11 -0.01 0.00 -1.71 0.00 0.00 66.02 64.12 1ngw s SER 162 CO 0.02 0.03 -0.16 -0.69 1.20 0.00 0.00 173.24 173.64 1ngw s VAL 163 N -0.97 1.27 0.86 4.45 1.01 -1.26 -1.10 120.40 124.65 1ngw s VAL 163 Ca 0.02 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.21 1ngw s VAL 163 Cb -0.09 -1.07 0.10 0.00 0.00 0.00 0.00 36.38 35.33 1ngw s VAL 163 CO 0.02 0.36 1.11 0.42 0.00 0.00 0.00 175.10 177.01 1ngw s THR 164 N -0.24 2.64 0.78 3.92 -4.23 0.43 -4.97 115.64 113.98 1ngw s THR 164 Ca 0.03 0.21 -0.12 0.00 -1.18 0.00 0.00 61.69 60.63 1ngw s THR 164 Cb -0.08 -2.90 0.06 0.00 1.34 0.00 0.00 72.50 70.92 1ngw s THR 164 CO 0.00 -0.27 1.14 -1.61 -0.54 0.00 0.00 174.62 173.34 1ngw s GLU 165 N -5.15 2.20 0.19 3.99 0.41 -1.26 -4.61 118.70 114.47 1ngw s GLU 165 Ca 0.62 0.29 -0.32 0.00 -0.41 0.00 0.00 54.97 55.16 1ngw s GLU 165 Cb -0.15 -1.96 -0.11 0.00 -1.78 0.00 0.00 34.13 30.12 1ngw s GLU 165 CO 0.55 -1.46 1.69 -1.14 -0.49 0.00 0.00 175.26 174.40 1ngw s GLN 166 N -5.44 4.15 0.11 1.61 0.74 -1.26 -4.78 119.66 114.79 1ngw s GLN 166 Ca 0.61 2.54 -0.33 0.00 0.05 0.00 0.00 55.36 58.22 1ngw s GLN 166 Cb -0.12 -3.14 -0.13 0.00 1.10 0.00 0.00 33.01 30.72 1ngw s GLN 166 CO 0.51 -0.72 1.69 -3.47 -0.55 0.00 0.00 175.29 172.75 1ngw n ASP 167 N 4.14 3.39 -0.12 6.67 4.64 0.74 -4.81 116.55 131.20 1ngw n ASP 167 Ca 0.16 1.04 0.00 0.00 -1.38 0.00 0.00 54.79 54.61 1ngw n ASP 167 Cb 0.36 -1.45 0.00 0.00 -1.04 0.00 0.00 41.12 39.00 1ngw n ASP 167 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 1ngw n SER 168 N 4.45 0.14 0.00 1.67 3.41 -1.26 -1.60 113.62 120.43 1ngw n SER 168 Ca 0.18 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.59 1ngw n SER 168 Cb 0.31 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1ngw n SER 168 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1ngw n LYS 169 N -0.33 4.57 -0.01 4.33 -0.00 -1.26 -4.15 118.16 121.30 1ngw n LYS 169 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.34 1ngw n LYS 169 Cb 0.04 -0.38 -0.08 0.00 -0.00 0.00 0.00 35.03 34.61 1ngw n LYS 169 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ngw n ASP 170 N 0.00 2.75 -0.13 -5.58 4.64 -1.22 -4.97 116.55 112.04 1ngw n ASP 170 Ca 0.00 0.00 -0.02 0.00 -1.38 0.00 0.00 54.79 53.39 1ngw n ASP 170 Cb 0.00 1.30 -0.01 0.00 -1.04 0.00 0.00 41.12 41.37 1ngw n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 1ngw n SER 171 N -1.95 -4.54 -5.01 1.67 7.64 -0.63 -4.97 113.62 105.83 1ngw n SER 171 Ca -0.05 0.04 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 1ngw n SER 171 Cb 0.37 -2.19 0.03 0.00 -1.01 0.00 0.00 64.21 61.40 1ngw n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ngw s THR 172 N -1.62 2.72 0.45 0.44 -4.23 -1.26 -4.70 115.64 107.43 1ngw s THR 172 Ca 0.00 -1.01 0.04 0.00 -1.18 0.00 0.00 61.69 59.54 1ngw s THR 172 Cb 0.00 -2.72 -0.05 0.00 1.34 0.00 0.00 72.50 71.07 1ngw s THR 172 CO 0.00 0.00 0.02 -0.31 -0.54 0.00 0.00 174.62 173.79 1ngw s TYR 173 N -2.45 2.17 -0.10 3.99 2.02 -0.21 -0.18 117.35 122.58 1ngw s TYR 173 Ca 0.57 -0.84 -0.14 0.00 -0.37 0.00 0.00 57.07 56.29 1ngw s TYR 173 Cb -0.08 -1.64 0.03 0.00 -0.40 0.00 0.00 41.96 39.87 1ngw s TYR 173 CO 0.35 0.29 0.35 -1.12 -1.57 0.00 0.00 175.55 173.84 1ngw s SER 174 N -3.76 -0.32 0.01 2.29 0.01 -1.26 -1.62 113.70 109.05 1ngw s SER 174 Ca 0.22 0.52 0.03 0.00 1.31 0.00 0.00 55.95 58.03 1ngw s SER 174 Cb 0.06 0.60 -0.01 0.00 0.21 0.00 0.00 66.02 66.88 1ngw s SER 174 CO 0.11 -0.24 -0.09 -0.22 0.41 0.00 0.00 173.24 173.22 1ngw s LEU 175 N -0.32 2.09 0.02 2.44 0.20 0.05 -0.43 118.68 122.73 1ngw s LEU 175 Ca -0.05 -0.27 0.07 0.00 0.69 0.00 0.00 54.13 54.57 1ngw s LEU 175 Cb -0.03 -0.39 -0.02 0.00 -0.43 0.00 0.00 46.19 45.31 1ngw s LEU 175 CO 0.02 0.03 -0.21 -0.94 -0.29 0.00 0.00 176.35 174.96 1ngw s SER 176 N -0.61 2.51 -0.06 3.68 1.04 -0.26 0.64 113.70 120.64 1ngw s SER 176 Ca 0.00 -0.46 0.02 0.00 0.48 0.00 0.00 55.95 55.99 1ngw s SER 176 Cb -0.05 -0.24 0.01 0.00 0.10 0.00 0.00 66.02 65.84 1ngw s SER 176 CO 0.00 0.21 -0.12 -0.55 0.98 0.00 0.00 173.24 173.76 1ngw s SER 177 N -0.88 1.73 -0.22 7.02 0.15 0.11 -1.45 113.70 120.16 1ngw s SER 177 Ca 0.08 -0.29 0.01 0.00 0.70 0.00 0.00 55.95 56.45 1ngw s SER 177 Cb -0.09 -0.79 0.03 0.00 -1.71 0.00 0.00 66.02 63.47 1ngw s SER 177 CO 0.01 0.03 -0.14 0.42 1.20 0.00 0.00 173.24 174.76 1ngw s THR 178 N 0.64 2.26 -0.48 6.45 -4.23 0.26 -0.27 115.64 120.27 1ngw s THR 178 Ca -0.14 -1.18 -0.26 0.00 -1.18 0.00 0.00 61.69 58.93 1ngw s THR 178 Cb -0.15 -2.12 0.03 0.00 1.34 0.00 0.00 72.50 71.60 1ngw s THR 178 CO 0.03 0.29 0.98 -0.22 -0.54 0.00 0.00 174.62 175.16 1ngw s LEU 179 N 1.23 3.92 -0.41 4.79 2.96 0.16 -2.31 118.68 129.04 1ngw s LEU 179 Ca -0.01 0.10 -0.11 0.00 -0.22 0.00 0.00 54.13 53.90 1ngw s LEU 179 Cb -0.16 -3.20 0.06 0.00 0.50 0.00 0.00 46.19 43.39 1ngw s LEU 179 CO -0.09 -1.14 0.26 -0.89 -1.32 0.00 0.00 176.35 173.17 1ngw s THR 180 N 3.97 4.50 0.41 3.68 2.01 -0.79 -0.99 115.64 128.43 1ngw s THR 180 Ca 0.38 -1.15 0.04 0.00 0.31 0.00 0.00 61.69 61.27 1ngw s THR 180 Cb -0.10 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 1ngw s THR 180 CO 0.26 -0.42 0.15 -1.48 -0.69 0.00 0.00 174.62 172.44 1ngw s LEU 181 N 1.50 1.97 0.40 4.42 0.05 -1.16 -4.79 118.68 121.07 1ngw s LEU 181 Ca 0.03 -1.71 -0.22 0.00 0.05 0.00 0.00 54.13 52.27 1ngw s LEU 181 Cb -0.22 -0.05 -0.11 0.00 -2.05 0.00 0.00 46.19 43.77 1ngw s LEU 181 CO 0.04 -0.97 0.95 -0.94 -0.55 0.00 0.00 176.35 174.88 1ngw s SER 182 N -3.61 7.06 0.65 1.48 1.04 -1.26 -1.36 113.70 117.70 1ngw s SER 182 Ca 0.24 1.73 0.35 0.00 0.48 0.00 0.00 55.95 58.74 1ngw s SER 182 Cb 0.02 -2.55 1.89 0.00 0.10 0.00 0.00 66.02 65.48 1ngw s SER 182 CO 0.15 -0.27 2.06 0.50 0.98 0.00 0.00 173.24 176.66 1ngw h LYS 183 N 2.28 0.00 0.00 4.02 3.64 -1.82 -2.26 116.57 122.43 1ngw h LYS 183 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1ngw h LYS 183 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1ngw h LYS 183 CO 0.62 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.80 1ngw n ALA 184 N -1.95 -0.18 -0.15 5.00 0.00 -1.26 -3.07 120.51 118.90 1ngw n ALA 184 Ca -0.02 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.64 1ngw n ALA 184 Cb 0.27 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.35 1ngw n ALA 184 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ngw h ASP 185 N 0.00 0.15 -0.49 0.00 3.32 -1.86 -1.22 116.42 116.31 1ngw h ASP 185 Ca 0.00 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1ngw h ASP 185 Cb 0.00 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1ngw h ASP 185 CO 0.00 0.06 0.13 0.22 -1.72 0.00 0.00 179.24 177.94 1ngw h TYR 186 N 0.15 0.87 0.00 4.55 5.03 -1.51 -1.92 116.97 124.14 1ngw h TYR 186 Ca 0.39 -0.08 -0.02 0.00 2.58 0.00 0.00 58.73 61.59 1ngw h TYR 186 Cb 1.29 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 39.32 1ngw h TYR 186 CO -0.00 0.73 -0.12 0.93 -1.32 0.00 0.00 178.16 178.38 1ngw h GLU 187 N 0.81 0.00 0.00 1.82 5.08 -1.14 -3.37 114.58 117.78 1ngw h GLU 187 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1ngw h GLU 187 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1ngw h GLU 187 CO -0.00 0.12 0.00 1.63 -1.00 0.00 0.00 179.01 179.75 1ngw n LYS 188 N -3.22 0.00 -0.73 2.33 5.02 -0.74 -4.90 118.16 115.92 1ngw n LYS 188 Ca 0.01 0.26 -0.29 0.00 -2.02 0.00 0.00 58.31 56.27 1ngw n LYS 188 Cb 0.41 -0.94 0.22 0.00 -0.02 0.00 0.00 35.03 34.70 1ngw n LYS 188 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1ngw s HIS 189 N -1.06 1.61 0.00 2.13 3.76 -1.13 -5.01 115.29 115.60 1ngw s HIS 189 Ca 0.00 1.26 0.00 0.00 -0.15 0.00 0.00 55.06 56.17 1ngw s HIS 189 Cb 0.00 -3.16 0.00 0.00 1.11 0.00 0.00 32.58 30.53 1ngw s HIS 189 CO 0.00 -3.41 0.00 1.63 -0.85 0.00 0.00 174.74 172.11 1ngw n LYS 190 N -4.60 3.00 -3.51 1.40 4.76 -1.26 -4.89 118.16 113.06 1ngw n LYS 190 Ca 0.05 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.07 1ngw n LYS 190 Cb 0.54 -0.89 -0.10 0.00 -1.84 0.00 0.00 35.03 32.74 1ngw n LYS 190 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ngw s VAL 191 N -1.77 5.05 -0.30 -0.18 1.01 -1.26 -2.88 120.40 120.07 1ngw s VAL 191 Ca 0.00 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 1ngw s VAL 191 Cb 0.00 -3.78 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 1ngw s VAL 191 CO 0.00 -0.24 0.13 -0.31 0.00 0.00 0.00 175.10 174.68 1ngw s TYR 192 N 1.65 3.16 0.00 5.22 1.51 -0.51 -0.10 117.35 128.29 1ngw s TYR 192 Ca 0.04 -0.69 0.07 0.00 -1.01 0.00 0.00 57.07 55.48 1ngw s TYR 192 Cb -0.19 -2.32 -0.02 0.00 -0.11 0.00 0.00 41.96 39.32 1ngw s TYR 192 CO 0.09 -0.49 -0.21 0.00 -1.11 0.00 0.00 175.55 173.83 1ngw s ALA 193 N 1.58 1.77 -0.18 3.71 0.00 -0.88 -0.98 121.76 126.78 1ngw s ALA 193 Ca 0.04 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.05 1ngw s ALA 193 Cb -0.17 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.55 1ngw s ALA 193 CO 0.05 0.43 -0.20 0.00 0.00 0.00 0.00 175.76 176.03 1ngw s GLU 195 N 1.26 3.11 -0.11 0.00 2.02 -0.29 -1.58 118.70 123.12 1ngw s GLU 195 Ca 0.04 -0.82 0.03 0.00 0.02 0.00 0.00 54.97 54.25 1ngw s GLU 195 Cb -0.13 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.64 1ngw s GLU 195 CO -0.12 0.07 -0.23 0.54 0.02 0.00 0.00 175.26 175.54 1ngw s VAL 196 N 0.64 1.99 -0.78 2.63 0.11 -0.45 -0.35 120.40 124.20 1ngw s VAL 196 Ca -0.10 -0.97 -0.04 0.00 -2.93 0.00 0.00 61.98 57.94 1ngw s VAL 196 Cb -0.16 -1.74 0.20 0.00 -1.53 0.00 0.00 36.38 33.15 1ngw s VAL 196 CO 0.02 0.54 0.65 0.42 -3.33 0.00 0.00 175.10 173.40 1ngw s THR 197 N 0.50 4.29 0.28 5.04 -4.23 -0.12 -2.63 115.64 118.77 1ngw s THR 197 Ca -0.15 -3.32 -0.07 0.00 -1.18 0.00 0.00 61.69 56.97 1ngw s THR 197 Cb -0.17 -3.71 -0.06 0.00 1.34 0.00 0.00 72.50 69.90 1ngw s THR 197 CO 0.06 -1.00 0.57 -2.28 -0.54 0.00 0.00 174.62 171.43 1ngw s HIS 198 N -0.64 3.46 -0.42 3.99 2.46 -1.26 -3.56 115.29 119.31 1ngw s HIS 198 Ca 0.22 0.76 0.00 0.00 0.47 0.00 0.00 55.06 56.51 1ngw s HIS 198 Cb -0.13 -2.19 0.00 0.00 -0.13 0.00 0.00 32.58 30.13 1ngw s HIS 198 CO -0.08 0.18 0.61 1.04 -2.47 0.00 0.00 174.74 174.03 1ngw n GLN 199 N -0.67 0.78 0.00 2.88 1.13 -1.26 -2.33 117.38 117.90 1ngw n GLN 199 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1ngw n GLN 199 Cb 0.53 -1.23 0.00 0.00 0.11 0.00 0.00 30.24 29.65 1ngw n GLN 199 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ngw n GLY 200 N 0.40 -0.32 3.52 1.08 0.00 -1.26 -5.03 105.19 103.58 1ngw n GLY 200 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1ngw n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ngw s LEU 201 N -0.15 2.66 -0.19 0.99 2.01 -0.99 -4.84 118.68 118.18 1ngw s LEU 201 Ca 0.00 -1.22 -0.21 0.00 0.01 0.00 0.00 54.13 52.71 1ngw s LEU 201 Cb 0.00 -0.87 -0.18 0.00 0.01 0.00 0.00 46.19 45.14 1ngw s LEU 201 CO 0.00 -0.28 0.27 0.77 1.01 0.00 0.00 176.35 178.12 1ngw h SER 202 N 2.06 0.00 -3.25 2.29 4.64 -1.97 -3.47 113.55 113.85 1ngw h SER 202 Ca -0.42 -0.54 -0.55 0.00 -0.47 0.00 0.00 61.79 59.82 1ngw h SER 202 Cb 1.24 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.16 1ngw h SER 202 CO 0.71 1.32 -0.78 -0.44 -0.87 0.00 0.00 176.83 176.76 1ngw s SER 203 N -6.61 2.95 -0.13 4.97 0.01 -1.26 -5.09 113.70 108.54 1ngw s SER 203 Ca -0.25 -0.91 -0.31 0.00 1.31 0.00 0.00 55.95 55.79 1ngw s SER 203 Cb 0.04 -0.19 -0.08 0.00 0.21 0.00 0.00 66.02 65.99 1ngw s SER 203 CO 0.56 -0.01 2.07 -0.81 0.41 0.00 0.00 173.24 175.46 1ngw n PRO 204 N 0.08 2.17 -2.81 12.44 -0.04 -1.26 -4.96 135.00 140.62 1ngw n PRO 204 Ca -0.11 0.72 -0.39 0.00 -0.04 0.00 0.00 63.50 63.68 1ngw n PRO 204 Cb 0.58 -2.95 -0.06 0.00 -0.04 0.00 0.00 33.50 31.03 1ngw n PRO 204 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ngw s VAL 205 N 6.14 4.18 -0.03 0.52 1.01 -1.08 -4.84 120.40 126.29 1ngw s VAL 205 Ca 0.97 1.91 -0.04 0.00 0.00 0.00 0.00 61.98 64.81 1ngw s VAL 205 Cb -0.51 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 31.70 1ngw s VAL 205 CO 0.43 0.38 0.11 0.28 0.00 0.00 0.00 175.10 176.30 1ngw s THR 206 N -1.32 0.02 0.03 3.92 -1.32 -1.26 -1.34 115.64 114.37 1ngw s THR 206 Ca 0.43 -0.17 0.08 0.00 -1.21 0.00 0.00 61.69 60.82 1ngw s THR 206 Cb -0.23 -0.22 -0.03 0.00 -1.51 0.00 0.00 72.50 70.51 1ngw s THR 206 CO 0.28 -0.09 -0.23 -0.54 -2.21 0.00 0.00 174.62 171.82 1ngw s LYS 207 N -0.27 1.97 0.26 7.08 -0.14 -0.61 -4.98 119.74 123.03 1ngw s LYS 207 Ca -0.03 -1.02 -0.20 0.00 -1.36 0.00 0.00 55.97 53.35 1ngw s LYS 207 Cb -0.03 -2.07 0.02 0.00 -1.68 0.00 0.00 37.83 34.08 1ngw s LYS 207 CO 0.00 0.53 0.67 -1.54 -0.76 0.00 0.00 175.35 174.26 1ngw s SER 208 N -1.17 -0.28 0.35 2.83 1.04 -1.26 -0.66 113.70 114.54 1ngw s SER 208 Ca 0.12 -0.56 0.02 0.00 0.48 0.00 0.00 55.95 56.00 1ngw s SER 208 Cb -0.10 0.69 -0.01 0.00 0.10 0.00 0.00 66.02 66.70 1ngw s SER 208 CO 0.02 -1.27 0.41 0.72 0.98 0.00 0.00 173.24 174.11 1ngw s PHE 209 N -3.91 1.36 -0.06 5.02 -0.12 -0.16 -5.00 117.98 115.12 1ngw s PHE 209 Ca 0.11 -1.46 -0.02 0.00 -0.05 0.00 0.00 56.93 55.51 1ngw s PHE 209 Cb -0.05 -0.32 0.04 0.00 -0.63 0.00 0.00 43.02 42.06 1ngw s PHE 209 CO 0.04 -1.06 0.10 0.54 -0.05 0.00 0.00 175.22 174.80 1ngw s ASN 210 N -3.30 0.70 -0.73 1.98 2.20 -1.25 -1.42 114.94 113.12 1ngw s ASN 210 Ca 0.35 0.20 -0.26 0.00 -0.94 0.00 0.00 52.86 52.21 1ngw s ASN 210 Cb 0.00 0.07 -0.17 0.00 -2.00 0.00 0.00 41.25 39.15 1ngw s ASN 210 CO 0.24 -0.22 2.05 0.54 -2.94 0.00 0.00 177.10 176.77 1ngw n ARG 211 N 5.03 0.00 -0.06 3.55 1.74 -1.14 -4.79 116.66 120.99 1ngw n ARG 211 Ca -0.10 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.93 1ngw n ARG 211 Cb 0.50 -1.17 -0.02 0.00 -1.02 0.00 0.00 32.46 30.76 1ngw n ARG 211 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1ngw n ASN 212 N 7.87 1.58 0.00 0.55 5.03 -1.26 -5.12 115.26 123.91 1ngw n ASN 212 Ca 0.50 0.50 0.00 0.00 0.87 0.00 0.00 54.58 56.46 1ngw n ASN 212 Cb 0.02 -0.79 0.00 0.00 -1.02 0.00 0.00 39.78 37.99 1ngw n ASN 212 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64