#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwe s ASP 1 N 0.00 5.19 -0.75 1.96 -1.08 -1.26 -5.00 116.67 115.73 1uwe s ASP 1 Ca 0.00 -0.11 -0.26 0.00 -0.52 0.00 0.00 52.55 51.67 1uwe s ASP 1 Cb 0.00 -1.90 -0.02 0.00 -1.46 0.00 0.00 42.92 39.54 1uwe s ASP 1 CO 0.00 0.07 1.77 0.20 0.52 0.00 0.00 175.17 177.74 1uwe s ASN 2 N 0.96 5.46 -0.24 -0.34 0.01 -1.26 -4.96 114.94 114.57 1uwe s ASN 2 Ca 0.03 -0.24 -0.24 0.00 -0.71 0.00 0.00 52.86 51.70 1uwe s ASN 2 Cb -0.14 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 38.97 1uwe s ASN 2 CO 0.02 -2.34 0.81 -0.69 -1.51 0.00 0.00 177.10 173.40 1uwe s VAL 3 N 8.59 4.85 -0.37 1.60 1.01 -1.26 -4.72 120.40 130.10 1uwe s VAL 3 Ca 0.62 1.54 -0.17 0.00 0.00 0.00 0.00 61.98 63.97 1uwe s VAL 3 Cb -0.09 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.19 1uwe s VAL 3 CO 0.11 -0.06 0.44 -0.04 0.00 0.00 0.00 175.10 175.55 1uwe s MET 4 N 2.78 3.45 -0.29 2.72 1.00 -1.26 -2.02 119.30 125.67 1uwe s MET 4 Ca 0.34 -0.42 -0.17 0.00 0.00 0.00 0.00 55.69 55.44 1uwe s MET 4 Cb -0.15 -3.85 -0.02 0.00 0.00 0.00 0.00 34.83 30.80 1uwe s MET 4 CO 0.08 -0.67 0.45 0.99 0.00 0.00 0.00 175.02 175.87 1uwe s THR 5 N 2.20 5.10 0.05 2.05 2.01 -0.33 -3.95 115.64 122.77 1uwe s THR 5 Ca 0.14 0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.72 1uwe s THR 5 Cb -0.16 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1uwe s THR 5 CO 0.13 0.02 0.18 -1.58 -0.69 0.00 0.00 174.62 172.67 1uwe s GLN 6 N 2.23 3.32 -0.14 4.92 0.74 -1.26 -0.81 119.66 128.66 1uwe s GLN 6 Ca 0.18 -0.47 -0.12 0.00 0.05 0.00 0.00 55.36 55.00 1uwe s GLN 6 Cb -0.16 -2.98 0.04 0.00 1.10 0.00 0.00 33.01 31.01 1uwe s GLN 6 CO 0.11 0.61 0.37 0.45 -0.55 0.00 0.00 175.29 176.27 1uwe s SER 7 N -2.38 -0.39 0.40 6.67 0.15 0.17 -4.68 113.70 113.65 1uwe s SER 7 Ca 0.32 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.72 1uwe s SER 7 Cb -0.13 0.73 0.02 0.00 -1.71 0.00 0.00 66.02 64.94 1uwe s SER 7 CO 0.25 -0.14 0.16 -0.81 1.20 0.00 0.00 173.24 173.90 1uwe n PRO 8 N 3.13 0.54 0.08 5.44 -0.04 -1.26 0.09 135.00 142.99 1uwe n PRO 8 Ca -0.15 -0.44 -0.11 0.00 -0.04 0.00 0.00 63.50 62.76 1uwe n PRO 8 Cb 0.57 -0.10 -0.07 0.00 -0.04 0.00 0.00 33.50 33.86 1uwe n PRO 8 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1uwe h SER 9 N -0.09 -0.24 -2.82 3.54 0.02 -1.83 -3.40 113.55 108.73 1uwe h SER 9 Ca -0.05 -0.28 -0.60 0.00 -0.84 0.00 0.00 61.79 60.02 1uwe h SER 9 Cb 0.20 0.06 -0.11 0.00 0.14 0.00 0.00 62.40 62.68 1uwe h SER 9 CO 0.06 0.27 -0.67 -0.36 -1.14 0.00 0.00 176.83 174.99 1uwe s PHE 10 N -3.56 2.79 -0.24 3.45 0.08 -1.26 0.21 117.98 119.45 1uwe s PHE 10 Ca -0.12 -0.16 -0.09 0.00 0.12 0.00 0.00 56.93 56.67 1uwe s PHE 10 Cb 0.01 -1.34 0.10 0.00 -0.57 0.00 0.00 43.02 41.22 1uwe s PHE 10 CO 0.45 0.53 0.53 1.41 -0.10 0.00 0.00 175.22 178.04 1uwe s MET 11 N -3.01 0.47 -0.12 0.44 -2.45 0.20 -4.88 119.30 109.95 1uwe s MET 11 Ca 0.27 1.19 0.01 0.00 -1.25 0.00 0.00 55.69 55.92 1uwe s MET 11 Cb -0.09 0.49 -0.01 0.00 1.25 0.00 0.00 34.83 36.47 1uwe s MET 11 CO 0.18 -0.21 -0.17 -1.54 1.05 0.00 0.00 175.02 174.33 1uwe s SER 12 N 2.51 3.70 0.18 1.11 1.04 -1.26 0.87 113.70 121.85 1uwe s SER 12 Ca -0.05 -0.40 0.03 0.00 0.48 0.00 0.00 55.95 56.01 1uwe s SER 12 Cb -0.11 -1.52 -0.05 0.00 0.10 0.00 0.00 66.02 64.44 1uwe s SER 12 CO -0.16 0.17 -0.04 0.28 0.98 0.00 0.00 173.24 174.47 1uwe s THR 13 N 0.32 0.94 0.17 2.02 -1.32 -0.11 -4.90 115.64 112.76 1uwe s THR 13 Ca -0.13 -2.02 -0.03 0.00 -1.21 0.00 0.00 61.69 58.31 1uwe s THR 13 Cb -0.16 -2.07 -0.05 0.00 -1.51 0.00 0.00 72.50 68.70 1uwe s THR 13 CO 0.07 -0.54 0.37 -0.44 -2.21 0.00 0.00 174.62 171.87 1uwe s SER 14 N -3.20 6.43 0.16 8.08 0.01 -1.26 -0.31 113.70 123.60 1uwe s SER 14 Ca 0.22 0.48 -0.34 0.00 1.31 0.00 0.00 55.95 57.63 1uwe s SER 14 Cb 0.05 -2.04 -0.14 0.00 0.21 0.00 0.00 66.02 64.10 1uwe s SER 14 CO 0.04 0.01 1.60 0.52 0.41 0.00 0.00 173.24 175.82 1uwe n VAL 15 N -0.27 0.02 0.00 3.43 0.31 -1.26 -1.88 118.33 118.68 1uwe n VAL 15 Ca -0.04 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1uwe n VAL 15 Cb 0.53 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 1uwe n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1uwe n GLY 16 N 3.51 0.62 3.93 2.92 0.00 0.20 -4.93 105.19 111.44 1uwe n GLY 16 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1uwe n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uwe s ASP 17 N -1.88 4.78 -0.13 1.61 1.01 -0.79 -4.17 116.67 117.11 1uwe s ASP 17 Ca 0.00 0.39 -0.02 0.00 0.71 0.00 0.00 52.55 53.63 1uwe s ASP 17 Cb 0.00 -1.03 -0.03 0.00 1.01 0.00 0.00 42.92 42.87 1uwe s ASP 17 CO 0.00 -1.61 -0.05 -0.60 0.21 0.00 0.00 175.17 173.12 1uwe s ARG 18 N -5.23 3.37 0.06 8.23 3.52 -1.26 -0.53 118.95 127.11 1uwe s ARG 18 Ca 0.61 -0.53 0.04 0.00 -0.13 0.00 0.00 55.73 55.71 1uwe s ARG 18 Cb -0.10 -2.80 -0.03 0.00 -1.56 0.00 0.00 34.95 30.46 1uwe s ARG 18 CO 0.44 0.38 -0.12 0.54 -0.81 0.00 0.00 175.30 175.74 1uwe s VAL 19 N -0.02 0.89 -0.05 7.11 0.11 -0.18 -4.98 120.40 123.28 1uwe s VAL 19 Ca 0.00 -1.22 0.03 0.00 -2.93 0.00 0.00 61.98 57.86 1uwe s VAL 19 Cb -0.13 -0.90 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 1uwe s VAL 19 CO 0.03 -0.29 -0.14 -0.44 -3.33 0.00 0.00 175.10 170.93 1uwe s SER 20 N -1.69 1.83 -0.13 3.54 0.01 -1.26 -0.61 113.70 115.39 1uwe s SER 20 Ca -0.05 -0.30 -0.02 0.00 1.31 0.00 0.00 55.95 56.89 1uwe s SER 20 Cb -0.10 -0.65 -0.02 0.00 0.21 0.00 0.00 66.02 65.45 1uwe s SER 20 CO 0.02 0.09 -0.07 -0.69 0.41 0.00 0.00 173.24 173.00 1uwe s VAL 21 N 0.33 3.66 0.07 3.43 1.01 0.09 -4.80 120.40 124.19 1uwe s VAL 21 Ca -0.08 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 1uwe s VAL 21 Cb -0.13 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 1uwe s VAL 21 CO 0.03 0.52 0.28 -0.89 0.00 0.00 0.00 175.10 175.04 1uwe s THR 22 N 0.12 5.29 -0.16 3.92 2.01 0.11 -1.56 115.64 125.38 1uwe s THR 22 Ca -0.03 -0.05 -0.05 0.00 0.31 0.00 0.00 61.69 61.87 1uwe s THR 22 Cb -0.14 -3.60 0.08 0.00 0.01 0.00 0.00 72.50 68.85 1uwe s THR 22 CO 0.03 0.19 0.31 0.00 -0.69 0.00 0.00 174.62 174.47 1uwe s ALA 24 N 2.48 2.72 0.13 0.00 0.00 0.01 -0.95 121.76 126.15 1uwe s ALA 24 Ca 0.01 -0.97 -0.20 0.00 0.00 0.00 0.00 51.96 50.81 1uwe s ALA 24 Cb -0.12 -1.40 -0.07 0.00 0.00 0.00 0.00 23.12 21.52 1uwe s ALA 24 CO -0.10 0.03 0.64 0.00 0.00 0.00 0.00 175.76 176.32 1uwe s ALA 25 N 0.71 3.53 -0.37 0.00 0.00 0.12 -1.19 121.76 124.55 1uwe s ALA 25 Ca -0.05 0.10 0.27 0.00 0.00 0.00 0.00 51.96 52.28 1uwe s ALA 25 Cb -0.15 -2.72 1.01 0.00 0.00 0.00 0.00 23.12 21.26 1uwe s ALA 25 CO 0.02 0.37 1.79 0.66 0.00 0.00 0.00 175.76 178.60 1uwe h SER 26 N 4.15 0.00 -4.29 0.00 4.64 -1.73 -3.44 113.55 112.88 1uwe h SER 26 Ca -0.49 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.66 1uwe h SER 26 Cb 1.21 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.05 1uwe h SER 26 CO 0.65 0.00 -0.55 -1.10 -0.87 0.00 0.00 176.83 174.96 1uwe s GLN 27 N -3.36 0.28 0.05 4.77 -0.21 -1.26 -4.99 119.66 114.93 1uwe s GLN 27 Ca 0.05 -0.08 -0.38 0.00 0.02 0.00 0.00 55.36 54.97 1uwe s GLN 27 Cb 0.09 0.12 -0.18 0.00 1.00 0.00 0.00 33.01 34.04 1uwe s GLN 27 CO 0.49 -0.05 1.15 -1.71 -2.12 0.00 0.00 175.29 173.04 1uwe n ASN 28 N 2.36 0.61 0.00 5.90 5.15 -1.26 -4.78 115.26 123.23 1uwe n ASN 28 Ca -0.17 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 54.95 1uwe n ASN 28 Cb 0.58 -1.03 0.00 0.00 -0.53 0.00 0.00 39.78 38.79 1uwe n ASN 28 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1uwe n VAL 29 N 1.81 0.00 0.00 3.44 0.31 0.17 -5.00 118.33 119.06 1uwe n VAL 29 Ca 0.19 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1uwe n VAL 29 Cb 0.13 1.17 0.00 0.00 -0.91 0.00 0.00 33.84 34.23 1uwe n VAL 29 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1uwe n GLY 30 N 0.07 2.37 0.12 2.92 0.00 -1.25 -3.14 105.19 106.28 1uwe n GLY 30 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.71 1uwe n GLY 30 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1uwe n THR 31 N 0.00 0.03 -1.38 2.61 -2.24 -1.26 -1.29 114.28 110.75 1uwe n THR 31 Ca 0.00 -0.52 -0.39 0.00 -2.27 0.00 0.00 64.05 60.88 1uwe n THR 31 Cb 0.00 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.25 1uwe n THR 31 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1uwe n ASN 32 N 0.15 6.62 -4.33 3.42 3.02 -1.19 -2.24 115.26 120.72 1uwe n ASN 32 Ca 0.02 -2.64 -0.29 0.00 -0.03 0.00 0.00 54.58 51.64 1uwe n ASN 32 Cb 0.08 -1.53 -0.15 0.00 -0.61 0.00 0.00 39.78 37.58 1uwe n ASN 32 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1uwe s VAL 33 N 2.73 2.06 0.16 2.41 1.01 -1.26 -1.71 120.40 125.80 1uwe s VAL 33 Ca 0.60 -1.36 0.06 0.00 0.00 0.00 0.00 61.98 61.27 1uwe s VAL 33 Cb 0.16 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1uwe s VAL 33 CO -0.06 0.34 -0.12 0.00 0.00 0.00 0.00 175.10 175.26 1uwe s ALA 34 N -0.80 1.64 -0.03 5.51 0.00 -0.01 -0.55 121.76 127.52 1uwe s ALA 34 Ca 0.11 -1.50 0.05 0.00 0.00 0.00 0.00 51.96 50.61 1uwe s ALA 34 Cb -0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 1uwe s ALA 34 CO 0.02 -0.00 -0.17 -1.58 0.00 0.00 0.00 175.76 174.03 1uwe s TRP 35 N -2.97 1.60 0.20 0.00 0.52 -0.77 -0.27 118.94 117.25 1uwe s TRP 35 Ca 0.17 -0.39 0.10 0.00 0.02 0.00 0.00 56.10 56.00 1uwe s TRP 35 Cb -0.00 -1.06 -0.04 0.00 -1.15 0.00 0.00 33.47 31.22 1uwe s TRP 35 CO 0.03 -0.10 -0.19 0.71 0.02 0.00 0.00 176.95 177.42 1uwe s TYR 36 N -0.16 1.97 -0.12 -1.98 2.02 0.43 -0.60 117.35 118.93 1uwe s TYR 36 Ca 0.01 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.28 1uwe s TYR 36 Cb -0.09 -0.95 0.02 0.00 -0.40 0.00 0.00 41.96 40.54 1uwe s TYR 36 CO 0.01 0.43 -0.12 -1.14 -1.57 0.00 0.00 175.55 173.16 1uwe s GLN 37 N -3.02 1.97 -0.34 -0.62 0.74 0.77 -1.62 119.66 117.53 1uwe s GLN 37 Ca 0.20 -0.45 -0.03 0.00 0.05 0.00 0.00 55.36 55.13 1uwe s GLN 37 Cb -0.05 -1.80 0.07 0.00 1.10 0.00 0.00 33.01 32.33 1uwe s GLN 37 CO 0.09 -0.16 0.08 -1.14 -0.55 0.00 0.00 175.29 173.61 1uwe s GLN 38 N 1.30 2.31 0.44 1.67 0.74 0.84 0.19 119.66 127.15 1uwe s GLN 38 Ca -0.01 -1.43 -0.18 0.00 0.05 0.00 0.00 55.36 53.79 1uwe s GLN 38 Cb -0.14 -3.35 -0.09 0.00 1.10 0.00 0.00 33.01 30.53 1uwe s GLN 38 CO -0.05 -0.77 0.92 0.15 -0.55 0.00 0.00 175.29 174.98 1uwe s LYS 39 N 1.24 4.06 0.02 1.67 1.02 -1.26 -1.12 119.74 125.37 1uwe s LYS 39 Ca -0.00 0.94 -0.36 0.00 0.02 0.00 0.00 55.97 56.57 1uwe s LYS 39 Cb -0.21 -2.22 -0.15 0.00 -0.52 0.00 0.00 37.83 34.74 1uwe s LYS 39 CO -0.02 -0.08 1.57 -2.30 -0.92 0.00 0.00 175.35 173.60 1uwe n PRO 40 N -0.97 1.62 -0.71 -1.68 -0.02 -1.26 -1.32 135.00 130.65 1uwe n PRO 40 Ca 0.06 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1uwe n PRO 40 Cb 0.54 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1uwe n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uwe n GLY 41 N 3.38 1.33 3.57 -1.23 0.00 -1.26 -5.01 105.19 105.97 1uwe n GLY 41 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1uwe n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uwe s GLN 42 N -0.09 2.04 0.64 1.61 -0.21 -0.44 -5.12 119.66 118.10 1uwe s GLN 42 Ca 0.00 -1.40 -0.17 0.00 0.02 0.00 0.00 55.36 53.80 1uwe s GLN 42 Cb 0.00 -2.09 -0.01 0.00 1.00 0.00 0.00 33.01 31.91 1uwe s GLN 42 CO 0.00 0.40 1.22 -2.14 -2.12 0.00 0.00 175.29 172.65 1uwe s PRO 43 N -3.17 2.66 0.51 2.91 0.02 -1.26 -4.53 135.00 132.14 1uwe s PRO 43 Ca 0.27 1.84 -0.22 0.00 0.02 0.00 0.00 61.00 62.91 1uwe s PRO 43 Cb -0.07 -1.89 -0.07 0.00 0.02 0.00 0.00 34.50 32.49 1uwe s PRO 43 CO 0.16 -1.45 1.17 -2.30 -0.33 0.00 0.00 177.00 174.25 1uwe n PRO 44 N -1.98 1.47 -4.99 5.54 -0.02 -1.26 -4.58 135.00 129.18 1uwe n PRO 44 Ca 0.14 0.54 -0.29 0.00 -2.02 0.00 0.00 63.50 61.87 1uwe n PRO 44 Cb 0.50 -2.33 -0.17 0.00 -0.02 0.00 0.00 33.50 31.48 1uwe n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1uwe s LYS 45 N -2.54 2.32 -0.14 -0.52 2.20 0.13 -4.91 119.74 116.28 1uwe s LYS 45 Ca 0.69 -0.72 -0.29 0.00 -0.36 0.00 0.00 55.97 55.29 1uwe s LYS 45 Cb -0.46 -1.88 -0.02 0.00 -1.51 0.00 0.00 37.83 33.96 1uwe s LYS 45 CO 0.52 0.21 1.30 0.00 -0.36 0.00 0.00 175.35 177.02 1uwe s ALA 46 N 0.22 3.64 -0.26 3.13 0.00 -1.26 -0.17 121.76 127.07 1uwe s ALA 46 Ca -0.11 0.52 -0.15 0.00 0.00 0.00 0.00 51.96 52.22 1uwe s ALA 46 Cb -0.15 -3.62 -0.12 0.00 0.00 0.00 0.00 23.12 19.22 1uwe s ALA 46 CO 0.05 -1.16 -0.26 1.28 0.00 0.00 0.00 175.76 175.67 1uwe n LEU 47 N 6.53 1.94 -4.10 0.00 4.77 0.24 -4.72 117.00 121.65 1uwe n LEU 47 Ca 0.14 0.36 -0.17 0.00 -0.03 0.00 0.00 56.01 56.31 1uwe n LEU 47 Cb 0.45 -0.84 -0.13 0.00 -2.33 0.00 0.00 43.42 40.57 1uwe n LEU 47 CO 0.56 0.43 -0.44 -0.63 -1.33 0.00 0.00 177.39 175.99 1uwe s ILE 48 N -2.52 0.87 0.14 -0.08 1.01 -1.09 -1.27 121.20 118.26 1uwe s ILE 48 Ca -0.36 -0.99 0.05 0.00 0.00 0.00 0.00 60.65 59.34 1uwe s ILE 48 Cb 0.12 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 1uwe s ILE 48 CO 0.49 -0.14 -0.11 -0.72 0.00 0.00 0.00 174.94 174.47 1uwe s TYR 49 N -1.00 1.27 -1.43 3.97 -0.85 0.42 -1.85 117.35 117.87 1uwe s TYR 49 Ca -0.02 -0.71 -0.10 0.00 -0.52 0.00 0.00 57.07 55.71 1uwe s TYR 49 Cb -0.08 -0.65 0.05 0.00 0.38 0.00 0.00 41.96 41.65 1uwe s TYR 49 CO 0.01 0.09 1.04 0.45 -1.52 0.00 0.00 175.55 175.62 1uwe n SER 50 N -0.01 -4.95 0.00 -0.18 2.88 -0.97 -1.41 113.62 108.99 1uwe n SER 50 Ca -0.12 -0.69 0.00 0.00 -1.33 0.00 0.00 58.87 56.74 1uwe n SER 50 Cb 0.60 -4.39 0.00 0.00 -0.75 0.00 0.00 64.21 59.66 1uwe n SER 50 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1uwe n THR 51 N -4.75 0.00 -0.61 2.46 -1.04 0.29 -4.10 114.28 106.54 1uwe n THR 51 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1uwe n THR 51 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 1uwe n THR 51 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1uwe n SER 52 N 3.03 0.43 -4.79 8.00 3.41 -1.21 -3.55 113.62 118.94 1uwe n SER 52 Ca 0.00 -1.04 -0.38 0.00 -0.26 0.00 0.00 58.87 57.19 1uwe n SER 52 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1uwe n SER 52 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1uwe s TYR 53 N -0.04 3.66 -0.10 7.33 2.02 -0.50 -4.61 117.35 125.11 1uwe s TYR 53 Ca 0.00 0.98 -0.10 0.00 -0.37 0.00 0.00 57.07 57.59 1uwe s TYR 53 Cb 0.00 -2.41 -0.05 0.00 -0.40 0.00 0.00 41.96 39.10 1uwe s TYR 53 CO 0.00 0.46 0.22 1.03 -1.57 0.00 0.00 175.55 175.69 1uwe s ARG 54 N -0.45 3.68 0.85 -0.62 0.52 -1.26 -0.44 118.95 121.23 1uwe s ARG 54 Ca 0.25 0.02 -0.11 0.00 -0.52 0.00 0.00 55.73 55.36 1uwe s ARG 54 Cb -0.16 -3.23 0.10 0.00 0.52 0.00 0.00 34.95 32.17 1uwe s ARG 54 CO 0.13 0.68 1.09 0.71 0.02 0.00 0.00 175.30 177.93 1uwe s TYR 55 N -0.81 2.38 0.63 -0.53 2.02 -0.40 -4.94 117.35 115.69 1uwe s TYR 55 Ca 0.17 1.42 -0.18 0.00 -0.37 0.00 0.00 57.07 58.11 1uwe s TYR 55 Cb -0.13 -3.12 -0.03 0.00 -0.40 0.00 0.00 41.96 38.28 1uwe s TYR 55 CO 0.06 -2.18 1.13 0.43 -1.57 0.00 0.00 175.55 173.42 1uwe n SER 56 N -3.76 1.40 -1.63 2.29 7.64 -1.26 -2.47 113.62 115.82 1uwe n SER 56 Ca 0.08 0.81 -0.19 0.00 1.01 0.00 0.00 58.87 60.58 1uwe n SER 56 Cb 0.54 -1.47 -0.07 0.00 -1.01 0.00 0.00 64.21 62.20 1uwe n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uwe n GLY 57 N 1.11 1.45 3.69 0.23 0.00 -1.26 -4.99 105.19 105.42 1uwe n GLY 57 Ca 0.15 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1uwe n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uwe s VAL 58 N -2.77 4.99 0.53 1.61 1.01 -1.03 -5.08 120.40 119.65 1uwe s VAL 58 Ca 0.00 0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.79 1uwe s VAL 58 Cb 0.00 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1uwe s VAL 58 CO 0.00 0.49 1.38 -2.84 0.00 0.00 0.00 175.10 174.12 1uwe s PRO 59 N 0.11 3.24 0.00 2.72 0.02 -1.26 -4.89 135.00 134.94 1uwe s PRO 59 Ca 0.06 2.28 0.20 0.00 0.02 0.00 0.00 61.00 63.56 1uwe s PRO 59 Cb -0.12 -2.33 0.96 0.00 0.02 0.00 0.00 34.50 33.02 1uwe s PRO 59 CO 0.00 -1.13 1.62 -0.40 -0.33 0.00 0.00 177.00 176.77 1uwe n ASP 60 N -0.87 0.00 0.00 2.53 5.68 -1.26 -2.32 116.55 120.31 1uwe n ASP 60 Ca 0.09 0.13 0.14 0.00 -0.50 0.00 0.00 54.79 54.66 1uwe n ASP 60 Cb 0.44 -0.34 0.79 0.00 -1.14 0.00 0.00 41.12 40.87 1uwe n ASP 60 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1uwe n ARG 61 N -1.34 0.61 -3.61 0.11 1.85 -1.26 -4.58 116.66 108.44 1uwe n ARG 61 Ca 0.08 0.01 -0.38 0.00 -1.00 0.00 0.00 57.85 56.56 1uwe n ARG 61 Cb 0.18 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 29.97 1uwe n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1uwe s PHE 62 N -2.35 3.19 -0.01 2.89 0.08 -0.98 -0.98 117.98 119.82 1uwe s PHE 62 Ca 0.34 -0.17 0.00 0.00 0.12 0.00 0.00 56.93 57.22 1uwe s PHE 62 Cb 0.20 -2.38 0.02 0.00 -0.57 0.00 0.00 43.02 40.29 1uwe s PHE 62 CO 0.40 -0.29 0.01 0.95 -0.10 0.00 0.00 175.22 176.19 1uwe s THR 63 N 1.70 -0.00 0.19 0.64 -4.23 -0.45 -4.96 115.64 108.52 1uwe s THR 63 Ca 0.06 0.12 0.07 0.00 -1.18 0.00 0.00 61.69 60.76 1uwe s THR 63 Cb -0.16 -0.08 -0.04 0.00 1.34 0.00 0.00 72.50 73.55 1uwe s THR 63 CO 0.09 0.06 0.02 -0.83 -0.54 0.00 0.00 174.62 173.42 1uwe s GLY 64 N 0.66 1.71 0.35 3.99 0.00 -1.26 0.22 107.32 112.99 1uwe s GLY 64 Ca -0.06 -1.38 -0.11 0.00 0.00 0.00 0.00 44.72 43.17 1uwe s GLY 64 CO -0.02 -1.40 0.65 -1.35 0.00 0.00 0.00 173.10 170.98 1uwe s SER 65 N -3.07 0.30 0.00 1.64 1.04 -0.21 -4.27 113.70 109.13 1uwe s SER 65 Ca 0.28 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.50 1uwe s SER 65 Cb -0.09 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1uwe s SER 65 CO 0.19 -1.49 0.00 0.61 0.98 0.00 0.00 173.24 173.53 1uwe n GLY 66 N -0.53 0.34 0.00 7.32 0.00 -1.26 -1.22 105.19 109.84 1uwe n GLY 66 Ca -0.04 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.67 1uwe n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uwe n SER 67 N 0.00 0.00 0.00 1.61 3.41 -0.71 -4.99 113.62 112.94 1uwe n SER 67 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1uwe n SER 67 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1uwe n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uwe n GLY 68 N -0.10 2.12 0.00 5.00 0.00 -0.41 -3.35 105.19 108.44 1uwe n GLY 68 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1uwe n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1uwe n THR 69 N 0.00 0.00 -4.54 2.61 -2.24 -1.26 0.42 114.28 109.27 1uwe n THR 69 Ca 0.00 -0.14 -0.33 0.00 -2.27 0.00 0.00 64.05 61.30 1uwe n THR 69 Cb 0.00 0.64 -0.15 0.00 -2.10 0.00 0.00 70.33 68.71 1uwe n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1uwe s ASP 70 N -0.91 3.73 0.06 3.42 1.01 -1.21 0.14 116.67 122.90 1uwe s ASP 70 Ca 0.00 -0.45 0.02 0.00 0.71 0.00 0.00 52.55 52.83 1uwe s ASP 70 Cb 0.00 -1.58 -0.03 0.00 1.01 0.00 0.00 42.92 42.32 1uwe s ASP 70 CO 0.00 0.09 -0.07 -0.36 0.21 0.00 0.00 175.17 175.04 1uwe s PHE 71 N 0.78 0.75 -0.03 4.23 0.08 -0.13 -1.75 117.98 121.91 1uwe s PHE 71 Ca -0.06 -0.65 -0.03 0.00 0.12 0.00 0.00 56.93 56.32 1uwe s PHE 71 Cb -0.15 -0.44 0.01 0.00 -0.57 0.00 0.00 43.02 41.87 1uwe s PHE 71 CO 0.01 -0.11 0.09 0.99 -0.10 0.00 0.00 175.22 176.09 1uwe s THR 72 N -2.17 -0.01 -0.19 0.64 2.01 -0.36 -1.51 115.64 114.05 1uwe s THR 72 Ca -0.02 0.04 -0.03 0.00 0.31 0.00 0.00 61.69 61.98 1uwe s THR 72 Cb -0.05 -0.13 -0.01 0.00 0.01 0.00 0.00 72.50 72.32 1uwe s THR 72 CO -0.01 0.01 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.65 1uwe s LEU 73 N 0.24 2.93 -0.13 4.42 2.96 -0.60 -1.04 118.68 127.45 1uwe s LEU 73 Ca -0.02 -0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1uwe s LEU 73 Cb -0.03 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 1uwe s LEU 73 CO -0.01 0.05 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.08 1uwe s THR 74 N 1.08 3.30 -0.29 3.68 2.01 0.13 -0.73 115.64 124.82 1uwe s THR 74 Ca 0.01 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.45 1uwe s THR 74 Cb -0.15 -2.40 0.06 0.00 0.01 0.00 0.00 72.50 70.03 1uwe s THR 74 CO -0.00 0.52 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.78 1uwe s ILE 75 N 0.26 2.52 0.43 1.82 1.01 0.22 -1.33 121.20 126.12 1uwe s ILE 75 Ca -0.07 -1.66 -0.00 0.00 0.00 0.00 0.00 60.65 58.91 1uwe s ILE 75 Cb -0.15 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 1uwe s ILE 75 CO 0.05 -0.16 0.65 -0.44 0.00 0.00 0.00 174.94 175.04 1uwe s SER 76 N 1.17 6.02 -1.44 3.58 0.01 -0.15 -1.01 113.70 121.88 1uwe s SER 76 Ca -0.04 0.43 -0.02 0.00 1.31 0.00 0.00 55.95 57.62 1uwe s SER 76 Cb -0.20 -1.78 0.02 0.00 0.21 0.00 0.00 66.02 64.27 1uwe s SER 76 CO -0.04 -0.57 0.05 -3.20 0.41 0.00 0.00 173.24 169.89 1uwe n ASN 77 N -2.03 0.65 -4.56 2.44 4.05 -1.10 -4.70 115.26 110.02 1uwe n ASN 77 Ca -0.01 -1.16 -0.57 0.00 0.45 0.00 0.00 54.58 53.29 1uwe n ASN 77 Cb 0.57 -1.45 -0.07 0.00 1.23 0.00 0.00 39.78 40.06 1uwe n ASN 77 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1uwe n VAL 78 N -4.22 0.02 -4.25 3.44 0.31 0.31 -4.40 118.33 109.53 1uwe n VAL 78 Ca -0.26 -0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 63.83 1uwe n VAL 78 Cb 0.62 -0.39 -0.07 0.00 -0.91 0.00 0.00 33.84 33.09 1uwe n VAL 78 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1uwe s ASN 79 N 0.56 4.66 0.50 4.52 0.01 -1.26 0.61 114.94 124.53 1uwe s ASN 79 Ca 0.90 -0.63 0.22 0.00 -0.71 0.00 0.00 52.86 52.64 1uwe s ASN 79 Cb -1.16 -0.88 1.31 0.00 0.41 0.00 0.00 41.25 40.93 1uwe s ASN 79 CO 0.55 -0.06 2.06 0.77 -1.51 0.00 0.00 177.10 178.92 1uwe h SER 80 N 1.79 0.00 0.31 -1.22 4.64 -1.92 -0.12 113.55 117.03 1uwe h SER 80 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1uwe h SER 80 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1uwe h SER 80 CO 0.61 0.13 0.00 -1.84 -0.87 0.00 0.00 176.83 174.86 1uwe n GLU 81 N -3.95 0.09 0.00 4.77 0.00 -1.17 -2.50 120.64 117.88 1uwe n GLU 81 Ca -0.02 0.23 0.13 0.00 0.00 0.00 0.00 57.16 57.51 1uwe n GLU 81 Cb 0.22 -1.50 0.49 0.00 0.00 0.00 0.00 31.44 30.65 1uwe n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1uwe n ASP 82 N -1.39 0.23 -4.60 -1.84 8.00 -0.06 -4.83 116.55 112.07 1uwe n ASP 82 Ca 0.04 0.11 -0.52 0.00 0.71 0.00 0.00 54.79 55.13 1uwe n ASP 82 Cb 0.12 -0.18 -0.06 0.00 -0.02 0.00 0.00 41.12 40.97 1uwe n ASP 82 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1uwe n LEU 83 N -1.44 2.59 0.00 0.64 7.94 -1.04 -4.82 117.00 120.87 1uwe n LEU 83 Ca 0.07 0.78 0.02 0.00 -1.11 0.00 0.00 56.01 55.77 1uwe n LEU 83 Cb 0.33 -1.25 0.01 0.00 0.53 0.00 0.00 43.42 43.04 1uwe n LEU 83 CO 0.29 -0.44 1.03 0.00 -1.11 0.00 0.00 177.39 177.16 1uwe n ALA 84 N 7.54 -3.40 -2.86 1.96 0.00 -1.23 -4.63 120.51 117.89 1uwe n ALA 84 Ca 0.31 -0.84 -0.34 0.00 0.00 0.00 0.00 53.44 52.57 1uwe n ALA 84 Cb 0.22 0.23 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 1uwe n ALA 84 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1uwe s GLU 85 N -2.02 3.78 -0.10 0.00 2.56 -0.27 -1.11 118.70 121.54 1uwe s GLU 85 Ca 0.28 -0.40 -0.01 0.00 0.00 0.00 0.00 54.97 54.84 1uwe s GLU 85 Cb -0.01 -3.07 -0.03 0.00 2.00 0.00 0.00 34.13 33.02 1uwe s GLU 85 CO 0.01 0.31 -0.07 0.71 -0.56 0.00 0.00 175.26 175.66 1uwe s TYR 86 N 0.23 2.94 -0.04 5.30 2.02 0.79 -0.11 117.35 128.48 1uwe s TYR 86 Ca 0.02 -0.18 0.05 0.00 -0.37 0.00 0.00 57.07 56.59 1uwe s TYR 86 Cb -0.13 -1.80 -0.00 0.00 -0.40 0.00 0.00 41.96 39.63 1uwe s TYR 86 CO 0.01 0.14 -0.18 -0.06 -1.57 0.00 0.00 175.55 173.89 1uwe s PHE 87 N -0.29 1.82 0.34 2.71 0.08 -0.64 -0.01 117.98 121.99 1uwe s PHE 87 Ca 0.04 -0.52 -0.04 0.00 0.12 0.00 0.00 56.93 56.53 1uwe s PHE 87 Cb -0.13 -1.22 -0.04 0.00 -0.57 0.00 0.00 43.02 41.06 1uwe s PHE 87 CO 0.02 -0.17 0.60 0.00 -0.10 0.00 0.00 175.22 175.58 1uwe s GLN 89 N -3.98 0.49 -0.08 0.00 0.74 0.63 -0.71 119.66 116.75 1uwe s GLN 89 Ca 0.44 -0.25 0.04 0.00 0.05 0.00 0.00 55.36 55.64 1uwe s GLN 89 Cb -0.10 0.21 -0.01 0.00 1.10 0.00 0.00 33.01 34.21 1uwe s GLN 89 CO 0.34 -0.12 -0.20 -1.14 -0.55 0.00 0.00 175.29 173.62 1uwe s GLN 90 N -1.15 2.80 -0.11 1.67 -0.44 -0.47 -0.83 119.66 121.13 1uwe s GLN 90 Ca -0.12 -0.81 0.20 0.00 -2.50 0.00 0.00 55.36 52.13 1uwe s GLN 90 Cb -0.06 -2.33 0.44 0.00 -1.64 0.00 0.00 33.01 29.42 1uwe s GLN 90 CO 0.02 0.36 1.18 2.48 0.50 0.00 0.00 175.29 179.83 1uwe n TYR 91 N 3.04 0.32 -0.00 1.67 4.11 -0.69 -2.67 117.16 122.93 1uwe n TYR 91 Ca -0.18 -1.08 -0.10 0.00 -0.00 0.00 0.00 57.90 56.54 1uwe n TYR 91 Cb 0.52 -0.20 -0.08 0.00 -0.00 0.00 0.00 39.34 39.58 1uwe n TYR 91 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.86 175.89 1uwe h ASN 92 N 1.27 -0.09 -2.42 9.48 -1.24 -1.84 -3.47 115.58 117.26 1uwe h ASN 92 Ca -0.12 -0.50 -0.57 0.00 0.71 0.00 0.00 56.30 55.83 1uwe h ASN 92 Cb 1.55 0.02 -0.14 0.00 0.73 0.00 0.00 38.32 40.49 1uwe h ASN 92 CO 0.12 0.59 -0.72 -0.51 -1.29 0.00 0.00 177.43 175.62 1uwe s ILE 93 N -2.82 2.15 0.11 2.57 2.07 -1.26 -5.12 121.20 118.89 1uwe s ILE 93 Ca -0.13 -2.27 -0.12 0.00 -1.41 0.00 0.00 60.65 56.72 1uwe s ILE 93 Cb -0.01 -2.38 -0.06 0.00 0.13 0.00 0.00 42.46 40.14 1uwe s ILE 93 CO 0.48 -0.36 0.47 -0.31 -1.91 0.00 0.00 174.94 173.31 1uwe s TYR 94 N -2.70 3.60 0.54 3.50 2.02 -1.26 -3.74 117.35 119.32 1uwe s TYR 94 Ca 0.29 0.93 -0.11 0.00 -0.37 0.00 0.00 57.07 57.81 1uwe s TYR 94 Cb -0.01 -2.27 -0.05 0.00 -0.40 0.00 0.00 41.96 39.23 1uwe s TYR 94 CO 0.14 0.48 0.94 -1.25 -1.57 0.00 0.00 175.55 174.29 1uwe s PRO 95 N -1.88 3.71 0.28 -1.71 0.04 -1.26 -4.97 135.00 129.21 1uwe s PRO 95 Ca 0.35 0.67 -0.30 0.00 0.04 0.00 0.00 61.00 61.75 1uwe s PRO 95 Cb -0.15 -2.19 -0.11 0.00 0.04 0.00 0.00 34.50 32.09 1uwe s PRO 95 CO 0.18 -0.35 1.55 0.08 0.04 0.00 0.00 177.00 178.51 1uwe s VAL 96 N -2.84 2.23 0.08 -0.36 1.01 -1.24 -4.83 120.40 114.44 1uwe s VAL 96 Ca 0.54 0.19 0.06 0.00 0.00 0.00 0.00 61.98 62.78 1uwe s VAL 96 Cb -0.10 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1uwe s VAL 96 CO 0.43 0.03 -0.17 0.42 0.00 0.00 0.00 175.10 175.81 1uwe s THR 97 N 0.02 1.39 0.20 3.92 -4.23 -1.09 -5.00 115.64 110.84 1uwe s THR 97 Ca 0.62 -1.34 0.08 0.00 -1.18 0.00 0.00 61.69 59.88 1uwe s THR 97 Cb -0.46 -1.28 -0.04 0.00 1.34 0.00 0.00 72.50 72.06 1uwe s THR 97 CO 0.46 -0.09 -0.03 -0.36 -0.54 0.00 0.00 174.62 174.06 1uwe s PHE 98 N -1.13 2.75 0.71 3.99 0.08 -1.26 -1.37 117.98 121.75 1uwe s PHE 98 Ca 0.03 -0.18 -0.11 0.00 0.12 0.00 0.00 56.93 56.78 1uwe s PHE 98 Cb -0.10 -1.31 0.02 0.00 -0.57 0.00 0.00 43.02 41.06 1uwe s PHE 98 CO 0.03 0.54 1.07 0.20 -0.10 0.00 0.00 175.22 176.96 1uwe s GLY 99 N -3.07 1.64 0.26 4.36 0.00 0.11 -4.43 107.32 106.20 1uwe s GLY 99 Ca 0.27 -0.13 0.18 0.00 0.00 0.00 0.00 44.72 45.04 1uwe s GLY 99 CO 0.18 0.22 1.54 0.61 0.00 0.00 0.00 173.10 175.65 1uwe n GLY 100 N -2.39 -0.81 0.00 0.20 0.00 -1.25 -4.71 105.19 96.23 1uwe n GLY 100 Ca 0.07 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1uwe n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uwe n GLY 101 N -1.29 1.21 3.01 -0.02 0.00 -1.26 -5.04 105.19 101.80 1uwe n GLY 101 Ca -0.01 -1.67 -0.26 0.00 0.00 0.00 0.00 46.02 44.08 1uwe n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uwe s THR 102 N -2.44 1.22 -0.26 2.61 2.01 0.98 -4.61 115.64 115.14 1uwe s THR 102 Ca 0.00 -0.49 -0.17 0.00 0.31 0.00 0.00 61.69 61.34 1uwe s THR 102 Cb 0.00 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 1uwe s THR 102 CO 0.00 0.38 0.49 -0.75 -0.69 0.00 0.00 174.62 174.05 1uwe s LYS 103 N 0.98 4.07 -0.31 4.92 2.20 0.13 -0.15 119.74 131.58 1uwe s LYS 103 Ca -0.08 0.27 -0.16 0.00 -0.36 0.00 0.00 55.97 55.65 1uwe s LYS 103 Cb -0.15 -3.65 -0.02 0.00 -1.51 0.00 0.00 37.83 32.50 1uwe s LYS 103 CO -0.00 -0.32 0.39 -1.17 -0.36 0.00 0.00 175.35 173.89 1uwe s LEU 104 N 2.22 4.23 -0.03 5.43 2.96 -0.27 -0.63 118.68 132.60 1uwe s LEU 104 Ca 0.20 0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 54.15 1uwe s LEU 104 Cb -0.16 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 1uwe s LEU 104 CO 0.09 -0.29 0.07 -1.61 -1.32 0.00 0.00 176.35 173.29 1uwe s GLU 105 N 2.11 3.08 -0.23 1.98 2.02 0.25 -3.57 118.70 124.34 1uwe s GLU 105 Ca 0.14 -0.45 -0.06 0.00 0.02 0.00 0.00 54.97 54.62 1uwe s GLU 105 Cb -0.16 -2.87 -0.03 0.00 0.10 0.00 0.00 34.13 31.17 1uwe s GLU 105 CO 0.11 0.67 0.04 0.42 0.02 0.00 0.00 175.26 176.52 1uwe s ILE 106 N -1.13 4.12 0.24 -1.63 -1.09 -1.26 -0.93 121.20 119.52 1uwe s ILE 106 Ca 0.21 -0.24 -0.29 0.00 -2.23 0.00 0.00 60.65 58.10 1uwe s ILE 106 Cb -0.12 -2.90 -0.09 0.00 -1.58 0.00 0.00 42.46 37.77 1uwe s ILE 106 CO 0.11 0.38 0.91 -0.54 -1.23 0.00 0.00 174.94 174.57 1uwe s LYS 107 N 1.38 4.77 0.34 2.79 1.02 0.58 -4.93 119.74 125.70 1uwe s LYS 107 Ca 0.05 1.41 -0.04 0.00 0.02 0.00 0.00 55.97 57.41 1uwe s LYS 107 Cb -0.15 -3.20 0.01 0.00 -0.52 0.00 0.00 37.83 33.97 1uwe s LYS 107 CO 0.02 0.49 0.50 -0.98 -0.92 0.00 0.00 175.35 174.46 1uwe s ARG 108 N -1.32 1.92 0.68 1.68 1.70 -1.26 -4.26 118.95 118.09 1uwe s ARG 108 Ca 0.42 -1.72 -0.15 0.00 -0.47 0.00 0.00 55.73 53.81 1uwe s ARG 108 Cb -0.24 0.46 0.01 0.00 -0.57 0.00 0.00 34.95 34.60 1uwe s ARG 108 CO 0.30 -0.81 1.12 0.95 -1.08 0.00 0.00 175.30 175.78 1uwe s THR 109 N -3.03 3.15 0.33 4.99 -4.23 -1.26 -4.95 115.64 110.65 1uwe s THR 109 Ca 0.29 0.52 -0.29 0.00 -1.18 0.00 0.00 61.69 61.04 1uwe s THR 109 Cb -0.01 -3.04 -0.12 0.00 1.34 0.00 0.00 72.50 70.67 1uwe s THR 109 CO 0.19 -0.34 1.39 1.33 -0.54 0.00 0.00 174.62 176.65 1uwe n VAL 110 N -2.55 1.75 -4.23 2.29 0.24 -1.26 -4.77 118.33 109.79 1uwe n VAL 110 Ca 0.11 -0.44 -0.20 0.00 -2.04 0.00 0.00 64.34 61.77 1uwe n VAL 110 Cb 0.52 -1.71 -0.16 0.00 -1.47 0.00 0.00 33.84 31.02 1uwe n VAL 110 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uwe s ALA 111 N -0.83 0.74 0.32 2.33 0.00 -0.09 -4.92 121.76 119.30 1uwe s ALA 111 Ca 0.58 -0.09 -0.26 0.00 0.00 0.00 0.00 51.96 52.18 1uwe s ALA 111 Cb -0.55 -0.42 -0.10 0.00 0.00 0.00 0.00 23.12 22.05 1uwe s ALA 111 CO 0.59 0.02 0.95 0.00 0.00 0.00 0.00 175.76 177.32 1uwe s ALA 112 N 0.84 3.22 0.31 0.00 0.00 -1.26 -1.63 121.76 123.24 1uwe s ALA 112 Ca -0.12 0.54 -0.28 0.00 0.00 0.00 0.00 51.96 52.10 1uwe s ALA 112 Cb -0.15 -3.19 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 1uwe s ALA 112 CO 0.01 0.17 1.11 -1.25 0.00 0.00 0.00 175.76 175.79 1uwe s PRO 113 N -1.98 4.52 -0.00 0.00 0.04 -1.26 -4.56 135.00 131.75 1uwe s PRO 113 Ca 0.49 1.79 -0.23 0.00 0.04 0.00 0.00 61.00 63.09 1uwe s PRO 113 Cb -0.20 -3.05 -0.05 0.00 0.04 0.00 0.00 34.50 31.24 1uwe s PRO 113 CO 0.25 0.10 0.67 -1.12 0.04 0.00 0.00 177.00 176.94 1uwe s SER 114 N -0.98 7.05 -0.11 6.66 0.01 -0.74 -4.82 113.70 120.77 1uwe s SER 114 Ca 0.47 1.25 -0.01 0.00 1.31 0.00 0.00 55.95 58.98 1uwe s SER 114 Cb -0.31 -2.41 -0.03 0.00 0.21 0.00 0.00 66.02 63.49 1uwe s SER 114 CO 0.40 0.03 -0.06 -0.69 0.41 0.00 0.00 173.24 173.32 1uwe s VAL 115 N 0.08 3.71 0.03 3.43 1.01 -1.26 0.14 120.40 127.53 1uwe s VAL 115 Ca 0.35 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1uwe s VAL 115 Cb -0.19 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 1uwe s VAL 115 CO 0.19 0.55 -0.08 -0.36 0.00 0.00 0.00 175.10 175.40 1uwe s PHE 116 N -0.28 0.72 0.05 5.22 0.08 -0.09 -4.99 117.98 118.69 1uwe s PHE 116 Ca 0.04 -0.34 0.09 0.00 0.12 0.00 0.00 56.93 56.84 1uwe s PHE 116 Cb -0.13 -0.44 -0.03 0.00 -0.57 0.00 0.00 43.02 41.86 1uwe s PHE 116 CO 0.02 -0.03 -0.24 -1.50 -0.10 0.00 0.00 175.22 173.37 1uwe s ILE 117 N -0.86 1.95 -0.08 0.64 2.07 -1.26 0.07 121.20 123.72 1uwe s ILE 117 Ca -0.04 -1.35 0.01 0.00 -1.41 0.00 0.00 60.65 57.87 1uwe s ILE 117 Cb -0.07 -1.68 0.02 0.00 0.13 0.00 0.00 42.46 40.85 1uwe s ILE 117 CO 0.00 0.27 -0.11 -0.36 -1.91 0.00 0.00 174.94 172.84 1uwe s PHE 118 N -0.83 1.45 0.76 3.50 0.40 0.44 -5.00 117.98 118.70 1uwe s PHE 118 Ca 0.10 -0.60 -0.11 0.00 -0.60 0.00 0.00 56.93 55.72 1uwe s PHE 118 Cb -0.10 -1.11 0.05 0.00 0.51 0.00 0.00 43.02 42.37 1uwe s PHE 118 CO 0.02 -0.35 1.08 -2.14 0.70 0.00 0.00 175.22 174.53 1uwe s PRO 119 N 1.00 2.39 0.31 0.24 0.02 -1.26 -2.02 135.00 135.68 1uwe s PRO 119 Ca -0.08 0.84 -0.29 0.00 0.02 0.00 0.00 61.00 61.49 1uwe s PRO 119 Cb -0.15 -1.94 -0.10 0.00 0.02 0.00 0.00 34.50 32.33 1uwe s PRO 119 CO -0.00 -1.46 1.33 -1.25 -0.33 0.00 0.00 177.00 175.30 1uwe s PRO 120 N -5.06 4.34 0.70 5.54 0.04 -1.23 -4.83 135.00 134.50 1uwe s PRO 120 Ca 0.60 2.23 -0.14 0.00 0.04 0.00 0.00 61.00 63.73 1uwe s PRO 120 Cb -0.15 -3.08 0.02 0.00 0.04 0.00 0.00 34.50 31.33 1uwe s PRO 120 CO 0.55 -0.24 1.13 -1.54 0.04 0.00 0.00 177.00 176.94 1uwe s SER 121 N -0.27 4.71 0.35 6.66 1.04 -1.26 -4.89 113.70 120.04 1uwe s SER 121 Ca 0.51 2.07 0.04 0.00 0.48 0.00 0.00 55.95 59.05 1uwe s SER 121 Cb -0.40 -2.56 0.64 0.00 0.10 0.00 0.00 66.02 63.80 1uwe s SER 121 CO 0.50 -1.90 1.91 0.00 0.98 0.00 0.00 173.24 174.73 1uwe h ALA 122 N -0.29 1.42 -0.91 5.32 0.00 -2.00 -2.44 119.26 120.37 1uwe h ALA 122 Ca -0.46 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 1uwe h ALA 122 Cb 1.26 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1uwe h ALA 122 CO 0.52 0.42 0.55 0.93 0.00 0.00 0.00 179.25 181.67 1uwe h GLU 123 N 0.53 1.23 -0.21 0.00 5.08 -2.00 -2.42 114.58 116.79 1uwe h GLU 123 Ca 0.12 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1uwe h GLU 123 Cb 0.25 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1uwe h GLU 123 CO 0.00 0.86 -0.20 0.37 -1.00 0.00 0.00 179.01 179.04 1uwe h GLN 124 N 1.25 0.50 -0.34 2.33 4.15 -1.80 -3.09 115.11 118.11 1uwe h GLN 124 Ca 0.33 -0.26 0.10 0.00 0.77 0.00 0.00 58.65 59.58 1uwe h GLN 124 Cb -0.05 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 1uwe h GLN 124 CO -0.06 0.84 0.25 -0.07 -1.93 0.00 0.00 178.83 177.86 1uwe h LEU 125 N 0.18 0.00 -0.27 -2.39 3.38 -1.18 0.65 115.31 115.69 1uwe h LEU 125 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1uwe h LEU 125 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1uwe h LEU 125 CO 0.05 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.58 1uwe n ALA 126 N -2.60 1.92 1.12 1.53 0.00 -0.94 -2.61 120.51 118.94 1uwe n ALA 126 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.62 1uwe n ALA 126 Cb 0.42 -1.39 0.31 0.00 0.00 0.00 0.00 19.45 18.79 1uwe n ALA 126 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1uwe n SER 127 N -1.99 0.77 0.00 0.00 3.41 0.23 -4.96 113.62 111.07 1uwe n SER 127 Ca 0.04 -0.58 0.00 0.00 -0.26 0.00 0.00 58.87 58.07 1uwe n SER 127 Cb 0.29 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1uwe n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uwe n GLY 128 N 1.42 0.28 3.33 5.00 0.00 -1.07 -5.08 105.19 109.07 1uwe n GLY 128 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 1uwe n GLY 128 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1uwe s THR 129 N -2.00 1.01 -0.04 2.61 -1.32 -1.25 -2.11 115.64 112.55 1uwe s THR 129 Ca 0.00 -2.03 -0.01 0.00 -1.21 0.00 0.00 61.69 58.44 1uwe s THR 129 Cb 0.00 -2.37 0.03 0.00 -1.51 0.00 0.00 72.50 68.65 1uwe s THR 129 CO 0.00 -0.30 0.06 0.00 -2.21 0.00 0.00 174.62 172.17 1uwe s ALA 130 N -3.43 0.10 -0.20 11.08 0.00 -0.24 -3.55 121.76 125.52 1uwe s ALA 130 Ca 0.29 0.31 -0.01 0.00 0.00 0.00 0.00 51.96 52.55 1uwe s ALA 130 Cb 0.06 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.74 1uwe s ALA 130 CO 0.09 -0.30 -0.13 -1.12 0.00 0.00 0.00 175.76 174.31 1uwe s SER 131 N 1.61 3.68 -0.19 0.00 0.01 -1.26 -0.75 113.70 116.80 1uwe s SER 131 Ca -0.03 -0.56 -0.11 0.00 1.31 0.00 0.00 55.95 56.56 1uwe s SER 131 Cb -0.12 -1.60 -0.05 0.00 0.21 0.00 0.00 66.02 64.46 1uwe s SER 131 CO -0.03 -0.02 0.18 -0.69 0.41 0.00 0.00 173.24 173.09 1uwe s VAL 132 N 1.37 5.37 -0.06 3.43 1.01 0.11 -3.49 120.40 128.14 1uwe s VAL 132 Ca 0.05 0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.38 1uwe s VAL 132 Cb -0.14 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1uwe s VAL 132 CO -0.08 0.42 -0.19 -0.69 0.00 0.00 0.00 175.10 174.55 1uwe s VAL 133 N 0.45 2.61 -0.19 2.92 1.01 -0.86 0.38 120.40 126.72 1uwe s VAL 133 Ca 0.11 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1uwe s VAL 133 Cb -0.12 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.28 1uwe s VAL 133 CO 0.00 0.57 -0.18 0.00 0.00 0.00 0.00 175.10 175.49 1uwe s LEU 135 N 1.27 3.78 -0.27 0.00 2.96 0.11 -0.27 118.68 126.26 1uwe s LEU 135 Ca 0.03 0.00 -0.07 0.00 -0.22 0.00 0.00 54.13 53.87 1uwe s LEU 135 Cb -0.14 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 1uwe s LEU 135 CO -0.12 0.08 0.07 -0.76 -1.32 0.00 0.00 176.35 174.30 1uwe s LEU 136 N 0.93 3.61 -0.11 -0.68 1.02 0.22 -0.91 118.68 122.76 1uwe s LEU 136 Ca 0.05 -0.50 0.01 0.00 0.02 0.00 0.00 54.13 53.71 1uwe s LEU 136 Cb -0.14 -1.88 -0.02 0.00 0.02 0.00 0.00 46.19 44.17 1uwe s LEU 136 CO 0.03 -0.12 -0.14 0.21 0.02 0.00 0.00 176.35 176.35 1uwe s ASN 137 N 1.54 3.96 -0.99 2.29 3.84 0.12 0.09 114.94 125.79 1uwe s ASN 137 Ca 0.04 -0.31 -0.10 0.00 0.21 0.00 0.00 52.86 52.70 1uwe s ASN 137 Cb -0.16 -1.44 -0.03 0.00 -0.55 0.00 0.00 41.25 39.07 1uwe s ASN 137 CO 0.02 0.20 0.80 0.59 -2.79 0.00 0.00 177.10 175.93 1uwe n ASN 138 N 3.27 -6.29 -4.59 -4.21 3.02 -0.93 -1.80 115.26 103.73 1uwe n ASN 138 Ca -0.18 -0.70 -0.27 0.00 -0.03 0.00 0.00 54.58 53.40 1uwe n ASN 138 Cb 0.53 -4.28 -0.11 0.00 -0.61 0.00 0.00 39.78 35.31 1uwe n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1uwe s PHE 139 N -3.30 2.44 -0.27 3.10 -0.71 0.26 -4.57 117.98 114.94 1uwe s PHE 139 Ca 0.33 -0.67 -0.25 0.00 -1.04 0.00 0.00 56.93 55.29 1uwe s PHE 139 Cb -0.08 -1.66 0.09 0.00 -1.21 0.00 0.00 43.02 40.16 1uwe s PHE 139 CO 0.80 0.43 0.85 -0.47 -1.34 0.00 0.00 175.22 175.48 1uwe s TYR 140 N -2.76 -0.66 0.21 3.49 6.14 -0.65 -0.15 117.35 122.98 1uwe s TYR 140 Ca 0.35 1.60 -0.04 0.00 0.64 0.00 0.00 57.07 59.62 1uwe s TYR 140 Cb 0.09 0.31 0.05 0.00 0.42 0.00 0.00 41.96 42.83 1uwe s TYR 140 CO 0.17 -0.32 0.26 -0.35 0.64 0.00 0.00 175.55 175.96 1uwe n PRO 141 N 2.46 -0.54 -0.23 4.97 -0.04 -1.26 -0.91 135.00 139.45 1uwe n PRO 141 Ca -0.13 -0.41 -0.07 0.00 -0.04 0.00 0.00 63.50 62.84 1uwe n PRO 141 Cb 0.55 -0.30 0.04 0.00 -0.04 0.00 0.00 33.50 33.75 1uwe n PRO 141 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1uwe h ARG 142 N 0.00 0.94 -6.56 0.54 2.43 -1.99 -3.44 114.38 106.30 1uwe h ARG 142 Ca -0.09 -0.16 -0.56 0.00 -0.81 0.00 0.00 59.98 58.35 1uwe h ARG 142 Cb 0.25 -0.16 0.06 0.00 -0.42 0.00 0.00 29.97 29.70 1uwe h ARG 142 CO 0.06 0.78 0.85 0.39 -1.51 0.00 0.00 179.97 180.55 1uwe n GLU 143 N -4.44 2.34 -3.63 0.20 4.71 -1.26 -5.00 120.64 113.56 1uwe n GLU 143 Ca 0.04 0.84 -0.12 0.00 -0.01 0.00 0.00 57.16 57.91 1uwe n GLU 143 Cb 0.16 -2.63 -0.07 0.00 -1.01 0.00 0.00 31.44 27.89 1uwe n GLU 143 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1uwe s ALA 144 N 0.92 -1.83 -0.20 0.62 0.00 -1.26 -4.64 121.76 115.37 1uwe s ALA 144 Ca 0.77 2.08 -0.08 0.00 0.00 0.00 0.00 51.96 54.72 1uwe s ALA 144 Cb -0.62 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 1uwe s ALA 144 CO 0.37 -0.33 0.09 0.00 0.00 0.00 0.00 175.76 175.88 1uwe s ALA 145 N 0.58 3.46 -0.22 0.00 0.00 -0.66 -4.98 121.76 119.95 1uwe s ALA 145 Ca -0.01 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.17 1uwe s ALA 145 Cb -0.05 -2.04 0.04 0.00 0.00 0.00 0.00 23.12 21.07 1uwe s ALA 145 CO -0.03 0.05 -0.15 0.08 0.00 0.00 0.00 175.76 175.70 1uwe s VAL 146 N 0.60 2.06 -0.14 0.00 1.01 -1.26 -0.95 120.40 121.72 1uwe s VAL 146 Ca 0.05 -1.24 -0.02 0.00 0.00 0.00 0.00 61.98 60.77 1uwe s VAL 146 Cb -0.13 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1uwe s VAL 146 CO 0.01 0.26 -0.08 -1.10 0.00 0.00 0.00 175.10 174.19 1uwe s GLN 147 N 1.22 3.50 -0.15 2.72 -0.21 0.16 -4.94 119.66 121.96 1uwe s GLN 147 Ca -0.02 -0.59 -0.12 0.00 0.02 0.00 0.00 55.36 54.66 1uwe s GLN 147 Cb -0.16 -2.78 -0.05 0.00 1.00 0.00 0.00 33.01 31.02 1uwe s GLN 147 CO -0.09 0.25 0.23 -1.58 -2.12 0.00 0.00 175.29 171.99 1uwe s TRP 148 N 0.29 3.49 -0.06 0.91 0.52 -1.26 0.16 118.94 122.99 1uwe s TRP 148 Ca -0.06 0.55 0.03 0.00 0.02 0.00 0.00 56.10 56.63 1uwe s TRP 148 Cb -0.15 -2.22 0.01 0.00 -1.15 0.00 0.00 33.47 29.96 1uwe s TRP 148 CO 0.04 0.37 -0.13 0.15 0.02 0.00 0.00 176.95 177.40 1uwe s LYS 149 N 0.05 1.67 -0.27 4.98 1.02 -0.08 0.72 119.74 127.83 1uwe s LYS 149 Ca 0.14 -0.46 0.02 0.00 0.02 0.00 0.00 55.97 55.69 1uwe s LYS 149 Cb -0.13 -1.40 0.07 0.00 -0.52 0.00 0.00 37.83 35.85 1uwe s LYS 149 CO 0.03 0.10 -0.06 0.08 -0.92 0.00 0.00 175.35 174.58 1uwe s VAL 150 N 0.43 1.96 -1.26 3.17 1.01 -0.17 -0.52 120.40 125.01 1uwe s VAL 150 Ca -0.10 -1.61 -0.02 0.00 0.00 0.00 0.00 61.98 60.24 1uwe s VAL 150 Cb -0.14 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1uwe s VAL 150 CO 0.03 -0.15 0.32 0.47 0.00 0.00 0.00 175.10 175.77 1uwe n ASP 151 N 4.49 -5.01 0.00 3.32 8.00 0.82 -2.16 116.55 126.01 1uwe n ASP 151 Ca -0.11 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.24 1uwe n ASP 151 Cb 0.43 -3.94 0.00 0.00 -0.02 0.00 0.00 41.12 37.58 1uwe n ASP 151 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1uwe n ASN 152 N -1.40 0.00 -4.60 -2.24 5.15 -1.26 -5.01 115.26 105.90 1uwe n ASN 152 Ca -0.12 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.44 1uwe n ASN 152 Cb 0.61 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.81 1uwe n ASN 152 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1uwe s ALA 153 N -2.73 3.48 0.12 5.20 0.00 -0.92 -5.00 121.76 121.92 1uwe s ALA 153 Ca 0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 51.96 51.15 1uwe s ALA 153 Cb 0.00 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 1uwe s ALA 153 CO 0.00 -1.37 1.79 -1.17 0.00 0.00 0.00 175.76 175.01 1uwe s LEU 154 N 3.11 4.39 0.49 0.00 2.96 -1.26 -1.00 118.68 127.36 1uwe s LEU 154 Ca 0.33 2.73 -0.08 0.00 -0.22 0.00 0.00 54.13 56.89 1uwe s LEU 154 Cb -0.13 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1uwe s LEU 154 CO 0.15 -0.98 0.83 -1.10 -1.32 0.00 0.00 176.35 173.93 1uwe s GLN 155 N 2.57 3.62 -0.26 1.98 -1.52 0.22 -4.94 119.66 121.33 1uwe s GLN 155 Ca 0.79 0.37 -0.20 0.00 -1.95 0.00 0.00 55.36 54.37 1uwe s GLN 155 Cb -0.45 -2.32 0.07 0.00 -0.22 0.00 0.00 33.01 30.08 1uwe s GLN 155 CO 0.35 -0.23 0.67 0.45 -0.25 0.00 0.00 175.29 176.29 1uwe s SER 156 N -3.87 -0.78 0.00 5.90 0.15 -1.26 -4.66 113.70 109.18 1uwe s SER 156 Ca 0.50 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.55 1uwe s SER 156 Cb -0.10 1.36 0.00 0.00 -1.71 0.00 0.00 66.02 65.57 1uwe s SER 156 CO 0.43 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1uwe n GLY 157 N 3.32 0.39 0.29 9.45 0.00 -1.26 -4.85 105.19 112.53 1uwe n GLY 157 Ca -0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.94 1uwe n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1uwe n ASN 158 N -0.28 2.02 -3.91 1.61 0.23 -1.26 -5.04 115.26 108.63 1uwe n ASN 158 Ca 0.00 -3.29 -0.10 0.00 -0.53 0.00 0.00 54.58 50.65 1uwe n ASN 158 Cb 0.14 -0.45 -0.10 0.00 -2.08 0.00 0.00 39.78 37.29 1uwe n ASN 158 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1uwe s SER 159 N -2.91 0.11 0.06 0.53 1.04 -1.26 -1.58 113.70 109.69 1uwe s SER 159 Ca 0.33 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.42 1uwe s SER 159 Cb 0.30 0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 1uwe s SER 159 CO -0.01 -0.38 -0.05 0.00 0.98 0.00 0.00 173.24 173.78 1uwe s GLN 160 N -1.65 0.63 0.10 4.02 -2.07 -1.08 -4.97 119.66 114.64 1uwe s GLN 160 Ca -0.13 -1.07 0.10 0.00 -1.82 0.00 0.00 55.36 52.44 1uwe s GLN 160 Cb -0.07 -0.08 -0.04 0.00 -1.09 0.00 0.00 33.01 31.73 1uwe s GLN 160 CO -0.00 -0.03 -0.24 -1.21 -1.32 0.00 0.00 175.29 172.49 1uwe s GLU 161 N -2.98 1.62 -0.03 9.60 2.02 -1.26 -1.83 118.70 125.84 1uwe s GLU 161 Ca 0.01 -1.23 0.04 0.00 0.02 0.00 0.00 54.97 53.81 1uwe s GLU 161 Cb 0.00 -1.99 -0.01 0.00 0.10 0.00 0.00 34.13 32.23 1uwe s GLU 161 CO -0.04 0.48 -0.15 0.45 0.02 0.00 0.00 175.26 176.01 1uwe s SER 162 N -1.87 1.87 -0.04 -0.19 0.15 -0.70 -5.00 113.70 107.91 1uwe s SER 162 Ca 0.15 -0.29 0.06 0.00 0.70 0.00 0.00 55.95 56.56 1uwe s SER 162 Cb -0.10 -0.37 -0.02 0.00 -1.71 0.00 0.00 66.02 63.82 1uwe s SER 162 CO 0.06 0.16 -0.22 -0.69 1.20 0.00 0.00 173.24 173.75 1uwe s VAL 163 N -0.13 2.40 0.85 4.45 1.01 -1.26 -2.06 120.40 125.67 1uwe s VAL 163 Ca 0.01 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.91 1uwe s VAL 163 Cb -0.08 -1.88 0.10 0.00 0.00 0.00 0.00 36.38 34.52 1uwe s VAL 163 CO 0.01 0.58 1.10 0.28 0.00 0.00 0.00 175.10 177.07 1uwe s THR 164 N -0.57 2.75 0.56 3.92 -1.32 -0.68 -5.02 115.64 115.27 1uwe s THR 164 Ca 0.08 0.24 -0.09 0.00 -1.21 0.00 0.00 61.69 60.72 1uwe s THR 164 Cb -0.11 -2.90 -0.04 0.00 -1.51 0.00 0.00 72.50 67.94 1uwe s THR 164 CO 0.00 -0.32 0.92 -1.61 -2.21 0.00 0.00 174.62 171.41 1uwe s GLU 165 N -5.10 3.59 0.10 7.08 2.02 -1.26 -4.70 118.70 120.43 1uwe s GLU 165 Ca 0.62 0.53 -0.36 0.00 0.02 0.00 0.00 54.97 55.78 1uwe s GLU 165 Cb -0.16 -2.21 -0.16 0.00 0.10 0.00 0.00 34.13 31.71 1uwe s GLU 165 CO 0.55 -0.40 1.43 1.04 0.02 0.00 0.00 175.26 177.90 1uwe n GLN 166 N -2.48 1.47 -1.76 1.61 6.02 -1.26 -4.78 117.38 116.21 1uwe n GLN 166 Ca 0.04 0.53 -0.41 0.00 -0.01 0.00 0.00 57.00 57.14 1uwe n GLN 166 Cb 0.54 -2.22 -0.01 0.00 1.02 0.00 0.00 30.24 29.58 1uwe n GLN 166 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1uwe n ASP 167 N 2.91 3.74 0.08 1.08 2.03 0.31 -4.88 116.55 121.82 1uwe n ASP 167 Ca 0.18 1.19 -0.01 0.00 0.52 0.00 0.00 54.79 56.67 1uwe n ASP 167 Cb 0.22 -1.60 0.25 0.00 -0.72 0.00 0.00 41.12 39.28 1uwe n ASP 167 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1uwe h SER 168 N 3.69 0.31 0.09 1.67 0.87 -1.90 -1.31 113.55 116.97 1uwe h SER 168 Ca -0.49 -0.11 -0.37 0.00 -1.23 0.00 0.00 61.79 59.59 1uwe h SER 168 Cb 1.24 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 63.07 1uwe h SER 168 CO 0.70 0.61 -2.21 0.00 -0.53 0.00 0.00 176.83 175.40 1uwe n ALA 169 N -2.48 1.20 -0.02 6.23 0.00 -1.26 -3.05 120.51 121.14 1uwe n ALA 169 Ca -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1uwe n ALA 169 Cb 0.41 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1uwe n ALA 169 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1uwe n ASP 170 N -3.31 1.11 -0.11 0.00 5.68 -1.26 -4.94 116.55 113.73 1uwe n ASP 170 Ca -0.37 -1.13 -0.01 0.00 -0.50 0.00 0.00 54.79 52.78 1uwe n ASP 170 Cb 1.03 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 41.01 1uwe n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1uwe n SER 171 N -0.06 -5.04 -4.73 -1.12 7.64 -0.49 -4.94 113.62 104.88 1uwe n SER 171 Ca 0.00 0.03 -0.27 0.00 1.01 0.00 0.00 58.87 59.64 1uwe n SER 171 Cb 0.04 -2.67 0.10 0.00 -1.01 0.00 0.00 64.21 60.67 1uwe n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1uwe s THR 172 N -1.43 2.14 0.15 0.44 -4.23 -1.26 -4.44 115.64 107.01 1uwe s THR 172 Ca 0.00 -0.19 0.09 0.00 -1.18 0.00 0.00 61.69 60.41 1uwe s THR 172 Cb 0.00 -2.95 -0.04 0.00 1.34 0.00 0.00 72.50 70.85 1uwe s THR 172 CO 0.00 0.00 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.62 1uwe s TYR 173 N -3.44 2.55 0.25 3.99 2.02 0.78 -0.53 117.35 122.98 1uwe s TYR 173 Ca 0.64 -0.25 0.10 0.00 -0.37 0.00 0.00 57.07 57.18 1uwe s TYR 173 Cb -0.09 -1.30 -0.05 0.00 -0.40 0.00 0.00 41.96 40.12 1uwe s TYR 173 CO 0.47 0.45 -0.16 -1.12 -1.57 0.00 0.00 175.55 173.62 1uwe s SER 174 N -2.45 3.08 -0.11 2.29 0.01 -1.26 -0.57 113.70 114.69 1uwe s SER 174 Ca 0.21 -1.04 -0.13 0.00 1.31 0.00 0.00 55.95 56.29 1uwe s SER 174 Cb -0.10 -0.22 0.03 0.00 0.21 0.00 0.00 66.02 65.95 1uwe s SER 174 CO 0.12 -0.09 0.36 -0.22 0.41 0.00 0.00 173.24 173.82 1uwe s LEU 175 N -3.42 0.65 0.01 2.44 0.20 0.11 -1.69 118.68 116.97 1uwe s LEU 175 Ca 0.27 0.60 0.08 0.00 0.69 0.00 0.00 54.13 55.76 1uwe s LEU 175 Cb -0.02 1.27 -0.02 0.00 -0.43 0.00 0.00 46.19 46.98 1uwe s LEU 175 CO 0.11 -0.20 -0.25 -0.94 -0.29 0.00 0.00 176.35 174.79 1uwe s SER 176 N -0.14 2.91 -0.12 3.68 1.04 -0.87 0.72 113.70 120.92 1uwe s SER 176 Ca -0.03 -0.50 0.03 0.00 0.48 0.00 0.00 55.95 55.94 1uwe s SER 176 Cb -0.03 -0.30 0.01 0.00 0.10 0.00 0.00 66.02 65.80 1uwe s SER 176 CO 0.01 0.27 -0.22 -0.55 0.98 0.00 0.00 173.24 173.73 1uwe s SER 177 N -0.84 3.03 -0.25 7.02 0.15 0.63 -1.72 113.70 121.71 1uwe s SER 177 Ca 0.10 -0.57 -0.01 0.00 0.70 0.00 0.00 55.95 56.17 1uwe s SER 177 Cb -0.10 -1.39 0.03 0.00 -1.71 0.00 0.00 66.02 62.85 1uwe s SER 177 CO 0.00 0.11 -0.07 -0.89 1.20 0.00 0.00 173.24 173.60 1uwe s THR 178 N 0.59 2.80 -0.26 6.45 2.01 -0.76 0.39 115.64 126.86 1uwe s THR 178 Ca -0.13 -1.09 -0.16 0.00 0.31 0.00 0.00 61.69 60.62 1uwe s THR 178 Cb -0.17 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 1uwe s THR 178 CO 0.04 0.18 0.44 -0.22 -0.69 0.00 0.00 174.62 174.36 1uwe s LEU 179 N 1.30 4.06 -0.26 4.42 2.96 0.16 -2.63 118.68 128.69 1uwe s LEU 179 Ca -0.01 0.42 -0.06 0.00 -0.22 0.00 0.00 54.13 54.26 1uwe s LEU 179 Cb -0.17 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.97 1uwe s LEU 179 CO -0.05 -0.21 0.05 -0.89 -1.32 0.00 0.00 176.35 173.93 1uwe s THR 180 N 2.08 3.94 0.34 3.68 2.01 -0.62 0.10 115.64 127.17 1uwe s THR 180 Ca 0.18 -0.46 0.09 0.00 0.31 0.00 0.00 61.69 61.82 1uwe s THR 180 Cb -0.16 -2.91 -0.06 0.00 0.01 0.00 0.00 72.50 69.38 1uwe s THR 180 CO 0.09 0.26 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.43 1uwe s LEU 181 N 1.54 2.71 0.42 4.42 1.43 0.07 -4.90 118.68 124.37 1uwe s LEU 181 Ca 0.05 -1.20 -0.18 0.00 -1.03 0.00 0.00 54.13 51.77 1uwe s LEU 181 Cb -0.16 -0.97 -0.09 0.00 0.03 0.00 0.00 46.19 45.00 1uwe s LEU 181 CO 0.01 -0.22 0.88 -0.94 0.23 0.00 0.00 176.35 176.32 1uwe s SER 182 N -3.60 6.79 0.31 2.29 1.04 -1.26 -1.07 113.70 118.21 1uwe s SER 182 Ca 0.32 1.50 0.09 0.00 0.48 0.00 0.00 55.95 58.34 1uwe s SER 182 Cb 0.03 -2.47 0.88 0.00 0.10 0.00 0.00 66.02 64.55 1uwe s SER 182 CO 0.16 -0.37 1.71 0.50 0.98 0.00 0.00 173.24 176.22 1uwe h LYS 183 N 1.74 0.48 -0.34 4.02 3.64 -1.68 -0.69 116.57 123.74 1uwe h LYS 183 Ca -0.48 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.85 1uwe h LYS 183 Cb 1.18 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1uwe h LYS 183 CO 0.62 0.32 0.14 0.00 -2.27 0.00 0.00 179.45 178.26 1uwe h ALA 184 N 1.74 0.44 -0.46 5.00 0.00 -1.93 -1.07 119.26 123.00 1uwe h ALA 184 Ca 0.64 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.34 1uwe h ALA 184 Cb 1.25 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1uwe h ALA 184 CO -0.51 0.03 -0.01 -0.44 0.00 0.00 0.00 179.25 178.32 1uwe h ASP 185 N 0.40 0.80 -0.68 0.00 3.32 -1.61 -2.59 116.42 116.06 1uwe h ASP 185 Ca 0.11 -0.32 0.02 0.00 0.02 0.00 0.00 57.03 56.86 1uwe h ASP 185 Cb 0.18 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 1uwe h ASP 185 CO -0.01 0.92 0.44 0.22 -1.72 0.00 0.00 179.24 179.09 1uwe h TYR 186 N 0.66 0.83 0.00 4.55 3.20 -1.06 -2.07 116.97 123.07 1uwe h TYR 186 Ca 0.13 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 1uwe h TYR 186 Cb 0.52 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1uwe h TYR 186 CO 0.04 0.50 -0.17 0.93 -1.64 0.00 0.00 178.16 177.82 1uwe h GLU 187 N 0.88 0.00 0.00 1.82 4.39 -1.05 -2.96 114.58 117.66 1uwe h GLU 187 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 1uwe h GLU 187 Cb -0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1uwe h GLU 187 CO -0.07 0.17 0.00 0.00 -1.16 0.00 0.00 179.01 177.95 1uwe n ALA 188 N -2.27 2.28 -2.55 3.43 0.00 -0.78 -4.85 120.51 115.75 1uwe n ALA 188 Ca -0.01 -0.05 -0.26 0.00 0.00 0.00 0.00 53.44 53.12 1uwe n ALA 188 Cb 0.31 -1.47 -0.11 0.00 0.00 0.00 0.00 19.45 18.19 1uwe n ALA 188 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1uwe s HIS 189 N -3.07 2.39 -0.00 0.00 3.76 -1.12 -5.10 115.29 112.15 1uwe s HIS 189 Ca 0.12 -0.57 -0.02 0.00 -0.15 0.00 0.00 55.06 54.44 1uwe s HIS 189 Cb 0.14 -1.47 -0.01 0.00 1.11 0.00 0.00 32.58 32.35 1uwe s HIS 189 CO 0.57 0.51 -0.04 0.00 -0.85 0.00 0.00 174.74 174.93 1uwe n ALA 190 N -0.82 2.79 -2.57 -1.40 0.00 -1.26 -4.80 120.51 112.45 1uwe n ALA 190 Ca -0.05 -0.11 -0.40 0.00 0.00 0.00 0.00 53.44 52.88 1uwe n ALA 190 Cb 0.65 0.40 -0.10 0.00 0.00 0.00 0.00 19.45 20.40 1uwe n ALA 190 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1uwe s VAL 191 N -2.07 5.21 -0.19 0.00 1.01 -1.26 -1.40 120.40 121.71 1uwe s VAL 191 Ca -0.04 0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 1uwe s VAL 191 Cb 0.01 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1uwe s VAL 191 CO 0.05 0.05 -0.04 -0.31 0.00 0.00 0.00 175.10 174.85 1uwe s TYR 192 N 1.94 2.96 -0.01 5.22 1.51 -0.93 -0.13 117.35 127.92 1uwe s TYR 192 Ca 0.11 -0.67 0.03 0.00 -1.01 0.00 0.00 57.07 55.53 1uwe s TYR 192 Cb -0.16 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.64 1uwe s TYR 192 CO 0.11 -0.34 -0.12 0.00 -1.11 0.00 0.00 175.55 174.09 1uwe s ALA 193 N 1.02 0.99 -0.31 3.71 0.00 0.32 -1.89 121.76 125.60 1uwe s ALA 193 Ca 0.01 -0.49 -0.00 0.00 0.00 0.00 0.00 51.96 51.47 1uwe s ALA 193 Cb -0.15 -0.27 0.06 0.00 0.00 0.00 0.00 23.12 22.77 1uwe s ALA 193 CO 0.00 0.23 0.01 0.00 0.00 0.00 0.00 175.76 176.00 1uwe s GLU 195 N 1.17 3.93 -0.10 0.00 2.12 0.12 -1.55 118.70 124.39 1uwe s GLU 195 Ca -0.03 -0.35 0.04 0.00 0.36 0.00 0.00 54.97 54.99 1uwe s GLU 195 Cb -0.20 -3.38 -0.00 0.00 0.26 0.00 0.00 34.13 30.81 1uwe s GLU 195 CO -0.03 0.06 -0.23 0.14 -0.54 0.00 0.00 175.26 174.66 1uwe s VAL 196 N 1.00 2.14 -0.13 3.70 -7.23 -0.23 0.40 120.40 120.03 1uwe s VAL 196 Ca 0.05 -1.00 -0.03 0.00 -1.81 0.00 0.00 61.98 59.19 1uwe s VAL 196 Cb -0.14 -1.81 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 1uwe s VAL 196 CO 0.03 0.56 -0.02 -0.89 -0.31 0.00 0.00 175.10 174.47 1uwe s THR 197 N 0.27 4.06 0.03 5.32 2.01 -0.13 -1.52 115.64 125.69 1uwe s THR 197 Ca -0.16 -0.31 -0.12 0.00 0.31 0.00 0.00 61.69 61.41 1uwe s THR 197 Cb -0.17 -2.76 0.01 0.00 0.01 0.00 0.00 72.50 69.59 1uwe s THR 197 CO 0.08 0.53 0.25 -2.28 -0.69 0.00 0.00 174.62 172.51 1uwe s HIS 198 N -0.03 -0.04 0.47 4.92 2.46 -1.26 -1.65 115.29 120.16 1uwe s HIS 198 Ca 0.02 -0.10 0.13 0.00 0.47 0.00 0.00 55.06 55.58 1uwe s HIS 198 Cb -0.13 0.04 1.08 0.00 -0.13 0.00 0.00 32.58 33.44 1uwe s HIS 198 CO 0.02 -0.45 2.07 0.37 -2.47 0.00 0.00 174.74 174.28 1uwe h GLN 199 N 3.42 0.12 0.00 2.88 5.75 -1.92 -1.60 115.11 123.76 1uwe h GLN 199 Ca -0.32 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.17 1uwe h GLN 199 Cb 1.19 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.72 1uwe h GLN 199 CO 0.46 0.15 0.00 0.41 -2.65 0.00 0.00 178.83 177.20 1uwe n GLY 200 N -1.34 -1.55 3.70 2.39 0.00 -1.26 -4.71 105.19 102.42 1uwe n GLY 200 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1uwe n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uwe s LEU 201 N -4.37 4.07 0.18 0.99 1.43 -0.60 -4.64 118.68 115.74 1uwe s LEU 201 Ca 0.09 0.19 0.26 0.00 -1.03 0.00 0.00 54.13 53.64 1uwe s LEU 201 Cb 0.12 -2.04 0.89 0.00 0.03 0.00 0.00 46.19 45.19 1uwe s LEU 201 CO 0.52 0.19 1.79 -1.54 0.23 0.00 0.00 176.35 177.55 1uwe n SER 202 N 3.41 0.66 -3.70 2.29 3.41 -1.26 -4.67 113.62 113.76 1uwe n SER 202 Ca -0.16 0.57 -0.14 0.00 -0.26 0.00 0.00 58.87 58.88 1uwe n SER 202 Cb 0.52 -0.75 -0.09 0.00 -0.26 0.00 0.00 64.21 63.64 1uwe n SER 202 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1uwe s SER 203 N -4.24 -0.40 0.58 4.04 1.04 -1.26 -5.15 113.70 108.31 1uwe s SER 203 Ca 0.11 0.57 -0.18 0.00 0.48 0.00 0.00 55.95 56.93 1uwe s SER 203 Cb 0.13 0.63 -0.09 0.00 0.10 0.00 0.00 66.02 66.80 1uwe s SER 203 CO 0.56 -0.34 0.46 -2.65 0.98 0.00 0.00 173.24 172.25 1uwe n PRO 204 N 1.93 0.44 -4.54 4.02 -0.02 -1.26 -4.94 135.00 130.63 1uwe n PRO 204 Ca -0.17 0.18 -0.33 0.00 -2.02 0.00 0.00 63.50 61.16 1uwe n PRO 204 Cb 0.57 -1.64 -0.16 0.00 -0.02 0.00 0.00 33.50 32.24 1uwe n PRO 204 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1uwe s VAL 205 N -1.76 2.11 -0.14 -1.45 1.01 -0.58 -4.97 120.40 114.63 1uwe s VAL 205 Ca 0.67 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 1uwe s VAL 205 Cb -0.44 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1uwe s VAL 205 CO 0.56 0.54 -0.01 -0.89 0.00 0.00 0.00 175.10 175.31 1uwe s THR 206 N 0.92 4.20 -0.11 3.92 2.01 -1.26 -1.07 115.64 124.25 1uwe s THR 206 Ca -0.04 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 61.72 1uwe s THR 206 Cb -0.15 -2.83 0.01 0.00 0.01 0.00 0.00 72.50 69.54 1uwe s THR 206 CO -0.04 0.52 -0.19 -0.54 -0.69 0.00 0.00 174.62 173.68 1uwe s LYS 207 N -0.06 2.58 0.18 4.92 -0.14 -0.60 -4.98 119.74 121.65 1uwe s LYS 207 Ca 0.03 -0.70 -0.02 0.00 -1.36 0.00 0.00 55.97 53.91 1uwe s LYS 207 Cb -0.13 -2.08 -0.04 0.00 -1.68 0.00 0.00 37.83 33.91 1uwe s LYS 207 CO 0.02 0.02 0.15 -1.54 -0.76 0.00 0.00 175.35 173.24 1uwe s SER 208 N 0.73 0.17 0.14 2.83 1.04 -1.26 -0.04 113.70 117.31 1uwe s SER 208 Ca -0.11 -1.27 -0.19 0.00 0.48 0.00 0.00 55.95 54.86 1uwe s SER 208 Cb -0.16 0.38 0.05 0.00 0.10 0.00 0.00 66.02 66.39 1uwe s SER 208 CO 0.02 -0.84 0.49 0.72 0.98 0.00 0.00 173.24 174.61 1uwe s PHE 209 N -4.11 -0.34 -0.15 5.02 -0.12 -0.79 -5.01 117.98 112.47 1uwe s PHE 209 Ca 0.32 0.07 -0.06 0.00 -0.05 0.00 0.00 56.93 57.21 1uwe s PHE 209 Cb 0.06 0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 1uwe s PHE 209 CO 0.08 -0.77 0.07 -0.80 -0.05 0.00 0.00 175.22 173.75 1uwe s ASN 210 N -2.78 5.74 -0.77 1.98 0.01 -1.26 -2.18 114.94 115.67 1uwe s ASN 210 Ca 0.02 0.18 -0.23 0.00 -0.71 0.00 0.00 52.86 52.12 1uwe s ASN 210 Cb 0.01 -1.90 -0.17 0.00 0.41 0.00 0.00 41.25 39.60 1uwe s ASN 210 CO -0.12 0.26 2.40 -1.14 -1.51 0.00 0.00 177.10 176.98 1uwe n ARG 211 N 2.98 0.53 0.00 -0.60 0.63 -0.49 -5.04 116.66 114.66 1uwe n ARG 211 Ca -0.18 -0.43 0.00 0.00 -0.92 0.00 0.00 57.85 56.32 1uwe n ARG 211 Cb 0.53 -2.97 0.00 0.00 0.45 0.00 0.00 32.46 30.46 1uwe n ARG 211 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53