#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uew s SER 2 N 0.00 1.83 0.05 1.61 0.15 -1.26 -5.09 113.70 110.99 1uew s SER 2 Ca 0.00 -0.94 -0.35 0.00 0.70 0.00 0.00 55.95 55.36 1uew s SER 2 Cb 0.00 -0.03 -0.19 0.00 -1.71 0.00 0.00 66.02 64.09 1uew s SER 2 CO 0.00 -0.27 1.43 -1.28 1.20 0.00 0.00 173.24 174.32 1uew h SER 3 N 3.04 -1.06 -3.30 5.45 0.87 -2.13 -3.49 113.55 112.93 1uew h SER 3 Ca -0.37 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.24 1uew h SER 3 Cb 1.19 0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 63.42 1uew h SER 3 CO 0.59 -0.71 -0.02 0.61 -0.53 0.00 0.00 176.83 176.77 1uew n GLY 4 N -1.38 -1.85 7.00 5.77 0.00 -1.26 -5.05 105.19 108.42 1uew n GLY 4 Ca -0.16 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1uew n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uew n SER 5 N -0.29 -4.08 -3.50 1.61 2.88 -1.26 -5.00 113.62 103.97 1uew n SER 5 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1uew n SER 5 Cb 0.02 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.45 1uew n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uew s SER 6 N -4.00 -0.45 -0.02 -3.46 0.15 -1.26 -5.12 113.70 99.54 1uew s SER 6 Ca 0.00 0.16 0.01 0.00 0.70 0.00 0.00 55.95 56.82 1uew s SER 6 Cb 0.00 0.44 0.02 0.00 -1.71 0.00 0.00 66.02 64.77 1uew s SER 6 CO 0.00 -0.64 0.34 0.61 1.20 0.00 0.00 173.24 174.75 1uew n GLY 7 N 0.04 -0.40 0.09 9.45 0.00 -1.26 -5.06 105.19 108.05 1uew n GLY 7 Ca -0.12 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 1uew n GLY 7 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1uew h SER 8 N 0.06 0.19 -3.53 1.61 0.02 -2.04 -3.44 113.55 106.41 1uew h SER 8 Ca -0.08 -0.82 -0.71 0.00 -0.84 0.00 0.00 61.79 59.33 1uew h SER 8 Cb 0.79 -0.06 -0.21 0.00 0.14 0.00 0.00 62.40 63.06 1uew h SER 8 CO -0.04 0.99 -0.45 -0.76 -1.14 0.00 0.00 176.83 175.43 1uew s LEU 9 N -8.43 5.00 0.56 5.07 1.43 -1.26 -5.07 118.68 115.97 1uew s LEU 9 Ca -0.16 -0.86 -0.21 0.00 -1.03 0.00 0.00 54.13 51.87 1uew s LEU 9 Cb 0.00 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 1uew s LEU 9 CO 0.74 -0.42 1.27 -1.10 0.23 0.00 0.00 176.35 177.07 1uew s GLN 10 N 1.67 3.13 0.03 1.70 1.11 -1.26 -5.07 119.66 120.97 1uew s GLN 10 Ca 0.05 2.01 -0.08 0.00 0.01 0.00 0.00 55.36 57.35 1uew s GLN 10 Cb -0.19 -2.13 -0.00 0.00 -1.01 0.00 0.00 33.01 29.68 1uew s GLN 10 CO 0.10 -1.13 0.16 0.95 0.01 0.00 0.00 175.29 175.37 1uew s THR 11 N -1.44 0.11 0.46 -0.19 -4.23 -1.23 -4.59 115.64 104.53 1uew s THR 11 Ca 0.73 -0.92 0.05 0.00 -1.18 0.00 0.00 61.69 60.37 1uew s THR 11 Cb -0.35 -0.83 -0.03 0.00 1.34 0.00 0.00 72.50 72.63 1uew s THR 11 CO 0.40 -0.51 0.15 -0.55 -0.54 0.00 0.00 174.62 173.58 1uew s SER 12 N -1.98 4.31 -0.35 3.99 0.15 -0.62 -4.85 113.70 114.35 1uew s SER 12 Ca -0.07 -1.31 -0.00 0.00 0.70 0.00 0.00 55.95 55.27 1uew s SER 12 Cb -0.02 -0.03 0.12 0.00 -1.71 0.00 0.00 66.02 64.38 1uew s SER 12 CO -0.03 -0.72 0.17 1.51 1.20 0.00 0.00 173.24 175.36 1uew s ASP 13 N -3.94 3.56 -0.44 5.45 -4.77 -1.26 -4.05 116.67 111.23 1uew s ASP 13 Ca 0.29 -1.98 -0.16 0.00 -3.30 0.00 0.00 52.55 47.40 1uew s ASP 13 Cb 0.03 -0.70 0.04 0.00 -1.09 0.00 0.00 42.92 41.20 1uew s ASP 13 CO 0.16 -0.35 0.37 -0.69 0.70 0.00 0.00 175.17 175.36 1uew s VAL 14 N 1.22 5.21 -0.24 2.11 1.01 0.30 -4.83 120.40 125.17 1uew s VAL 14 Ca 0.14 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 1uew s VAL 14 Cb -0.20 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 1uew s VAL 14 CO -0.13 -0.45 0.08 0.54 0.00 0.00 0.00 175.10 175.14 1uew s VAL 15 N 1.78 4.43 -0.05 2.92 0.11 -1.26 -0.72 120.40 127.61 1uew s VAL 15 Ca 0.06 -0.13 0.01 0.00 -2.93 0.00 0.00 61.98 58.99 1uew s VAL 15 Cb -0.21 -3.07 0.02 0.00 -1.53 0.00 0.00 36.38 31.60 1uew s VAL 15 CO 0.09 0.34 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.53 1uew s ILE 16 N 1.50 0.56 -0.01 7.04 1.01 -0.26 -4.98 121.20 126.06 1uew s ILE 16 Ca 0.06 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.59 1uew s ILE 16 Cb -0.15 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 1uew s ILE 16 CO 0.04 0.23 -0.02 -1.00 0.00 0.00 0.00 174.94 174.20 1uew s HIS 17 N 0.95 3.03 0.41 3.97 3.76 -1.26 -1.54 115.29 124.61 1uew s HIS 17 Ca -0.11 0.06 0.03 0.00 -0.15 0.00 0.00 55.06 54.90 1uew s HIS 17 Cb -0.14 -1.66 -0.03 0.00 1.11 0.00 0.00 32.58 31.85 1uew s HIS 17 CO 0.00 0.44 0.07 -0.98 -0.85 0.00 0.00 174.74 173.42 1uew s ARG 18 N -1.46 1.93 0.79 1.40 1.70 -0.86 -4.85 118.95 117.59 1uew s ARG 18 Ca 0.18 -2.16 -0.11 0.00 -0.47 0.00 0.00 55.73 53.17 1uew s ARG 18 Cb -0.11 -0.96 0.08 0.00 -0.57 0.00 0.00 34.95 33.38 1uew s ARG 18 CO 0.09 -0.35 1.15 0.15 -1.08 0.00 0.00 175.30 175.26 1uew s LYS 19 N -3.79 2.00 0.23 3.89 3.01 -1.26 -4.85 119.74 118.97 1uew s LYS 19 Ca 0.23 0.04 -0.01 0.00 -1.01 0.00 0.00 55.97 55.22 1uew s LYS 19 Cb 0.04 -1.99 0.25 0.00 -1.01 0.00 0.00 37.83 35.12 1uew s LYS 19 CO 0.12 -1.54 1.62 1.49 0.51 0.00 0.00 175.35 177.56 1uew h GLU 20 N -0.98 0.56 -0.08 1.68 4.22 -1.99 -3.31 114.58 114.68 1uew h GLU 20 Ca -0.46 -0.27 -0.05 0.00 0.08 0.00 0.00 59.36 58.67 1uew h GLU 20 Cb 1.33 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1uew h GLU 20 CO 0.65 0.84 -0.15 -0.91 -2.18 0.00 0.00 179.01 177.26 1uew h ASN 21 N 0.47 0.27 -4.37 1.04 2.35 -2.06 -3.45 115.58 109.83 1uew h ASN 21 Ca 0.05 -0.56 -0.48 0.00 -0.55 0.00 0.00 56.30 54.76 1uew h ASN 21 Cb 0.85 -0.08 0.11 0.00 0.05 0.00 0.00 38.32 39.25 1uew h ASN 21 CO 0.07 0.77 0.35 -1.83 -1.65 0.00 0.00 177.43 175.15 1uew s GLU 22 N -4.00 1.97 0.70 0.81 -1.05 -1.25 -5.09 118.70 110.79 1uew s GLU 22 Ca -0.15 0.42 -0.07 0.00 -0.15 0.00 0.00 54.97 55.03 1uew s GLU 22 Cb 0.03 -1.92 0.15 0.00 -0.44 0.00 0.00 34.13 31.95 1uew s GLU 22 CO 0.73 -1.65 0.96 0.41 0.95 0.00 0.00 175.26 176.66 1uew n GLY 23 N -2.52 -0.32 3.77 -3.83 0.00 -1.26 -4.73 105.19 96.30 1uew n GLY 23 Ca 0.07 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 1uew n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1uew s PHE 24 N -2.93 3.00 -0.18 1.61 0.08 -1.26 -4.86 117.98 113.44 1uew s PHE 24 Ca 0.58 1.55 -0.03 0.00 0.12 0.00 0.00 56.93 59.16 1uew s PHE 24 Cb -0.02 -3.36 -0.00 0.00 -0.57 0.00 0.00 43.02 39.06 1uew s PHE 24 CO 0.40 -1.34 2.61 0.41 -0.10 0.00 0.00 175.22 177.20 1uew n GLY 25 N 0.52 3.46 3.26 4.36 0.00 -1.26 -4.84 105.19 110.68 1uew n GLY 25 Ca 0.06 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 1uew n GLY 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1uew s PHE 26 N -0.58 1.30 -0.04 1.61 -0.12 -1.26 -0.63 117.98 118.26 1uew s PHE 26 Ca 0.39 -0.78 0.00 0.00 -0.05 0.00 0.00 56.93 56.49 1uew s PHE 26 Cb 0.23 -0.67 0.03 0.00 -0.63 0.00 0.00 43.02 41.97 1uew s PHE 26 CO -0.05 0.07 -0.00 0.08 -0.05 0.00 0.00 175.22 175.27 1uew s VAL 27 N -3.33 0.26 0.35 -2.49 1.01 -0.71 -4.97 120.40 110.52 1uew s VAL 27 Ca 0.18 0.08 -0.26 0.00 0.00 0.00 0.00 61.98 61.98 1uew s VAL 27 Cb 0.03 -0.36 -0.09 0.00 0.00 0.00 0.00 36.38 35.95 1uew s VAL 27 CO 0.02 0.18 1.08 -0.63 0.00 0.00 0.00 175.10 175.75 1uew s ILE 28 N 1.25 3.57 0.42 2.22 1.01 -1.26 -1.10 121.20 127.31 1uew s ILE 28 Ca -0.06 1.35 0.03 0.00 0.00 0.00 0.00 60.65 61.97 1uew s ILE 28 Cb -0.13 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 1uew s ILE 28 CO -0.02 0.15 0.09 0.27 0.00 0.00 0.00 174.94 175.43 1uew s ILE 29 N -1.44 0.85 -0.18 2.92 -4.36 -0.80 -4.77 121.20 113.41 1uew s ILE 29 Ca 0.53 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.91 1uew s ILE 29 Cb -0.27 -2.39 0.04 0.00 1.25 0.00 0.00 42.46 41.09 1uew s ILE 29 CO 0.34 0.00 -0.06 -0.94 0.24 0.00 0.00 174.94 174.52 1uew s SER 30 N -3.65 3.04 -0.06 4.36 1.04 -1.26 -3.29 113.70 113.88 1uew s SER 30 Ca 0.22 -0.76 -0.03 0.00 0.48 0.00 0.00 55.95 55.86 1uew s SER 30 Cb 0.03 -0.98 0.04 0.00 0.10 0.00 0.00 66.02 65.21 1uew s SER 30 CO 0.12 -0.19 0.12 -0.55 0.98 0.00 0.00 173.24 173.72 1uew s SER 31 N 1.58 0.91 0.00 7.02 0.15 -1.26 -5.07 113.70 117.02 1uew s SER 31 Ca -0.00 0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.87 1uew s SER 31 Cb -0.16 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 1uew s SER 31 CO -0.08 -0.25 0.00 0.18 1.20 0.00 0.00 173.24 174.30 1uew n LEU 32 N 5.30 0.21 -3.05 3.45 4.32 -1.26 -4.70 117.00 121.26 1uew n LEU 32 Ca -0.04 0.00 -0.00 0.00 -0.02 0.00 0.00 56.01 55.95 1uew n LEU 32 Cb 0.50 -0.06 -0.00 0.00 -1.62 0.00 0.00 43.42 42.24 1uew n LEU 32 CO 0.05 -0.06 -0.41 -3.20 -1.22 0.00 0.00 177.39 172.56 1uew n ASN 33 N -1.55 -6.64 -4.75 -1.43 2.85 -1.26 -4.83 115.26 97.66 1uew n ASN 33 Ca 0.00 0.76 -0.41 0.00 -0.11 0.00 0.00 54.58 54.82 1uew n ASN 33 Cb 0.00 -2.47 -0.02 0.00 1.24 0.00 0.00 39.78 38.53 1uew n ASN 33 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1uew s ARG 34 N -0.88 4.19 0.00 1.20 3.00 -1.26 -4.85 118.95 120.35 1uew s ARG 34 Ca -0.02 2.44 0.00 0.00 0.00 0.00 0.00 55.73 58.16 1uew s ARG 34 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 34.95 31.89 1uew s ARG 34 CO 0.19 -0.52 1.08 -0.35 0.00 0.00 0.00 175.30 175.70 1uew n PRO 35 N 2.08 0.97 0.00 3.54 -0.04 -1.26 -4.97 135.00 135.31 1uew n PRO 35 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1uew n PRO 35 Cb 0.39 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 1uew n PRO 35 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1uew n GLU 36 N 0.63 0.00 -1.40 0.54 1.02 -1.26 -5.07 120.64 115.09 1uew n GLU 36 Ca 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.31 1uew n GLU 36 Cb 0.49 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.83 1uew n GLU 36 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1uew n SER 37 N -3.60 -7.79 -0.08 1.62 2.88 -1.26 -4.70 113.62 100.69 1uew n SER 37 Ca 0.00 1.17 -0.13 0.00 -1.33 0.00 0.00 58.87 58.58 1uew n SER 37 Cb 0.00 -4.66 -0.14 0.00 -0.75 0.00 0.00 64.21 58.65 1uew n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uew n GLY 38 N -4.23 -0.77 3.60 0.46 0.00 -1.26 -4.66 105.19 98.33 1uew n GLY 38 Ca -0.06 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1uew n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uew s SER 39 N -6.11 6.46 -0.36 1.61 0.01 -1.26 -5.00 113.70 109.05 1uew s SER 39 Ca -0.17 0.67 0.00 0.00 1.31 0.00 0.00 55.95 57.76 1uew s SER 39 Cb 0.07 -2.54 0.10 0.00 0.21 0.00 0.00 66.02 63.85 1uew s SER 39 CO 0.76 -1.36 0.10 0.42 0.41 0.00 0.00 173.24 173.58 1uew s THR 40 N 5.02 2.83 -0.31 1.44 -4.23 -1.26 -5.05 115.64 114.08 1uew s THR 40 Ca 0.56 -2.05 -0.28 0.00 -1.18 0.00 0.00 61.69 58.73 1uew s THR 40 Cb -0.11 -2.93 -0.02 0.00 1.34 0.00 0.00 72.50 70.78 1uew s THR 40 CO 0.32 -0.55 1.78 0.27 -0.54 0.00 0.00 174.62 175.91 1uew s ILE 41 N 1.07 3.49 0.06 2.99 -4.36 -1.26 -4.94 121.20 118.24 1uew s ILE 41 Ca 0.07 0.51 -0.10 0.00 -0.26 0.00 0.00 60.65 60.87 1uew s ILE 41 Cb -0.21 -3.64 0.00 0.00 1.25 0.00 0.00 42.46 39.87 1uew s ILE 41 CO -0.05 -0.39 0.21 0.42 0.24 0.00 0.00 174.94 175.37 1uew s THR 42 N 6.65 0.12 0.06 8.37 -4.23 -1.26 -4.88 115.64 120.46 1uew s THR 42 Ca 0.79 -0.96 0.07 0.00 -1.18 0.00 0.00 61.69 60.41 1uew s THR 42 Cb -0.23 -1.05 -0.03 0.00 1.34 0.00 0.00 72.50 72.53 1uew s THR 42 CO 0.33 -0.53 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.01 1uew s VAL 43 N -2.99 1.51 0.00 2.29 1.01 -1.26 -5.09 120.40 115.87 1uew s VAL 43 Ca -0.02 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.71 1uew s VAL 43 Cb 0.01 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 35.04 1uew s VAL 43 CO -0.06 0.06 0.66 -0.81 0.00 0.00 0.00 175.10 174.95 1uew n PRO 44 N 1.63 0.00 -2.96 2.72 -0.04 -1.26 -4.62 135.00 130.47 1uew n PRO 44 Ca -0.18 0.26 -0.41 0.00 -0.04 0.00 0.00 63.50 63.13 1uew n PRO 44 Cb 0.54 -1.19 -0.04 0.00 -0.04 0.00 0.00 33.50 32.76 1uew n PRO 44 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1uew s HIS 45 N -1.83 3.49 0.11 0.54 3.76 -1.26 -4.24 115.29 115.86 1uew s HIS 45 Ca 0.00 1.25 -0.06 0.00 -0.15 0.00 0.00 55.06 56.10 1uew s HIS 45 Cb 0.00 -2.92 -0.02 0.00 1.11 0.00 0.00 32.58 30.75 1uew s HIS 45 CO 0.00 -0.09 0.14 -1.59 -0.85 0.00 0.00 174.74 172.35 1uew s LYS 46 N 1.52 0.90 0.01 1.40 -2.85 -1.21 -1.74 119.74 117.77 1uew s LYS 46 Ca 0.38 -1.17 -0.30 0.00 -1.00 0.00 0.00 55.97 53.88 1uew s LYS 46 Cb -0.17 0.31 -0.08 0.00 -2.06 0.00 0.00 37.83 35.83 1uew s LYS 46 CO 0.16 -0.28 1.83 0.42 0.10 0.00 0.00 175.35 177.58 1uew s ILE 47 N -3.94 3.20 -0.17 3.79 -1.09 -0.90 -1.91 121.20 120.17 1uew s ILE 47 Ca 0.13 0.29 0.17 0.00 -2.23 0.00 0.00 60.65 59.01 1uew s ILE 47 Cb 0.06 -3.19 -0.25 0.00 -1.58 0.00 0.00 42.46 37.50 1uew s ILE 47 CO -0.05 -0.02 0.17 0.61 -1.23 0.00 0.00 174.94 174.41 1uew n GLY 48 N 4.36 -1.00 3.30 6.18 0.00 -0.26 -3.29 105.19 114.47 1uew n GLY 48 Ca 0.19 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 1uew n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1uew s ARG 49 N -2.51 0.86 0.13 1.61 3.52 -1.24 -4.97 118.95 116.35 1uew s ARG 49 Ca -0.09 -0.36 0.11 0.00 -0.13 0.00 0.00 55.73 55.26 1uew s ARG 49 Cb 0.06 0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 33.79 1uew s ARG 49 CO 0.83 -0.28 -0.27 0.42 -0.81 0.00 0.00 175.30 175.19 1uew s ILE 50 N -2.30 2.24 -0.05 4.11 1.01 -1.26 -1.74 121.20 123.22 1uew s ILE 50 Ca -0.06 -1.75 -0.30 0.00 0.00 0.00 0.00 60.65 58.54 1uew s ILE 50 Cb -0.01 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 1uew s ILE 50 CO -0.01 0.09 1.05 -0.63 0.00 0.00 0.00 174.94 175.44 1uew s ILE 51 N -1.06 4.64 0.33 2.92 1.09 0.20 -4.97 121.20 124.35 1uew s ILE 51 Ca 0.14 1.91 -0.29 0.00 -1.10 0.00 0.00 60.65 61.30 1uew s ILE 51 Cb -0.10 -4.22 -0.11 0.00 -1.06 0.00 0.00 42.46 36.96 1uew s ILE 51 CO 0.06 0.06 1.53 -0.67 -0.10 0.00 0.00 174.94 175.82 1uew n ASP 52 N 4.58 3.76 0.00 3.58 -0.08 -1.26 -2.70 116.55 124.43 1uew n ASP 52 Ca 0.08 1.19 0.00 0.00 -1.51 0.00 0.00 54.79 54.55 1uew n ASP 52 Cb 0.49 -1.60 0.00 0.00 2.34 0.00 0.00 41.12 42.35 1uew n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1uew n GLY 53 N 1.33 0.68 3.93 0.27 0.00 -1.26 -5.03 105.19 105.11 1uew n GLY 53 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1uew n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uew s SER 54 N -2.38 5.39 0.58 1.61 1.04 -1.10 -4.92 113.70 113.92 1uew s SER 54 Ca 0.00 0.55 0.28 0.00 0.48 0.00 0.00 55.95 57.26 1uew s SER 54 Cb 0.00 -1.47 1.69 0.00 0.10 0.00 0.00 66.02 66.34 1uew s SER 54 CO 0.00 -1.17 2.16 1.55 0.98 0.00 0.00 173.24 176.76 1uew h PRO 55 N -0.21 0.00 0.72 4.02 0.13 -1.90 -1.47 132.00 133.30 1uew h PRO 55 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 1uew h PRO 55 Cb 1.27 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.41 1uew h PRO 55 CO 0.59 0.00 -0.35 0.00 -0.23 0.00 0.00 178.00 178.02 1uew h ALA 56 N 1.87 -1.01 -0.43 -0.56 0.00 -1.90 -2.70 119.26 114.53 1uew h ALA 56 Ca 0.05 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1uew h ALA 56 Cb 0.28 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1uew h ALA 56 CO -0.00 -0.94 0.22 0.22 0.00 0.00 0.00 179.25 178.75 1uew h ASP 57 N -1.20 0.32 0.53 0.00 3.58 -1.71 -2.12 116.42 115.82 1uew h ASP 57 Ca -0.10 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.37 1uew h ASP 57 Cb 0.74 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.75 1uew h ASP 57 CO 0.16 0.23 0.00 0.03 -2.88 0.00 0.00 179.24 176.78 1uew h ARG 58 N 0.44 0.00 -0.27 0.28 3.08 -1.37 -1.83 114.38 114.71 1uew h ARG 58 Ca 0.19 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 1uew h ARG 58 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1uew h ARG 58 CO -0.13 0.00 0.01 0.00 -1.07 0.00 0.00 179.97 178.78 1uew n ALA 60 N -2.48 0.00 0.09 0.00 0.00 -0.69 -4.60 120.51 112.83 1uew n ALA 60 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.46 1uew n ALA 60 Cb 0.21 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.71 1uew n ALA 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1uew n LYS 61 N 0.00 0.01 -3.77 0.00 5.02 -1.26 -4.45 118.16 113.72 1uew n LYS 61 Ca 0.00 0.39 -0.25 0.00 -2.02 0.00 0.00 58.31 56.43 1uew n LYS 61 Cb 0.00 -1.50 -0.17 0.00 -0.02 0.00 0.00 35.03 33.34 1uew n LYS 61 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1uew s LEU 62 N -2.84 0.84 0.25 -0.35 2.96 -1.26 -4.96 118.68 113.32 1uew s LEU 62 Ca 0.01 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1uew s LEU 62 Cb 0.02 -0.53 -0.04 0.00 0.50 0.00 0.00 46.19 46.14 1uew s LEU 62 CO 0.04 -0.23 0.14 -0.54 -1.32 0.00 0.00 176.35 174.44 1uew s LYS 63 N 1.91 1.39 -0.31 1.98 -0.14 -1.26 -4.59 119.74 118.72 1uew s LYS 63 Ca 0.03 -1.76 -0.29 0.00 -1.36 0.00 0.00 55.97 52.59 1uew s LYS 63 Cb -0.14 0.03 -0.02 0.00 -1.68 0.00 0.00 37.83 36.03 1uew s LYS 63 CO -0.06 -0.39 1.75 0.08 -0.76 0.00 0.00 175.35 175.96 1uew s VAL 64 N -3.87 3.53 0.00 3.17 1.01 -1.26 -2.38 120.40 120.60 1uew s VAL 64 Ca 0.38 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.91 1uew s VAL 64 Cb 0.06 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1uew s VAL 64 CO 0.15 -0.41 0.00 0.61 0.00 0.00 0.00 175.10 175.44 1uew n GLY 65 N 5.28 1.21 3.55 4.51 0.00 -1.21 -5.06 105.19 113.48 1uew n GLY 65 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1uew n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uew s ASP 66 N -0.14 4.86 0.23 1.61 1.01 -1.00 -4.78 116.67 118.46 1uew s ASP 66 Ca 0.00 0.72 -0.30 0.00 0.71 0.00 0.00 52.55 53.68 1uew s ASP 66 Cb 0.00 -2.52 -0.15 0.00 1.01 0.00 0.00 42.92 41.27 1uew s ASP 66 CO 0.00 -2.62 1.03 0.54 0.21 0.00 0.00 175.17 174.33 1uew n ARG 67 N 9.09 1.15 -4.80 8.23 1.74 -1.26 -2.12 116.66 128.70 1uew n ARG 67 Ca 0.28 0.41 -0.27 0.00 -0.77 0.00 0.00 57.85 57.50 1uew n ARG 67 Cb 0.53 -1.80 -0.15 0.00 -1.02 0.00 0.00 32.46 30.03 1uew n ARG 67 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1uew s ILE 68 N -0.68 1.83 -0.17 0.55 1.01 -0.71 -3.78 121.20 119.25 1uew s ILE 68 Ca 0.65 -1.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 1uew s ILE 68 Cb -0.79 -1.57 -0.10 0.00 0.01 0.00 0.00 42.46 40.01 1uew s ILE 68 CO 0.56 0.30 -0.17 0.18 0.00 0.00 0.00 174.94 175.82 1uew n LEU 69 N 1.93 2.58 -3.81 2.97 4.77 0.16 -4.65 117.00 120.95 1uew n LEU 69 Ca -0.17 -0.02 -0.09 0.00 -0.03 0.00 0.00 56.01 55.70 1uew n LEU 69 Cb 0.53 -0.57 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1uew n LEU 69 CO 0.23 0.68 0.25 0.00 -1.33 0.00 0.00 177.39 177.22 1uew s ALA 70 N -2.33 -0.77 -0.12 -1.18 0.00 -1.05 -2.30 121.76 114.01 1uew s ALA 70 Ca -0.23 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.35 1uew s ALA 70 Cb 0.07 0.89 0.02 0.00 0.00 0.00 0.00 23.12 24.09 1uew s ALA 70 CO 0.37 -0.82 -0.14 0.08 0.00 0.00 0.00 175.76 175.25 1uew s VAL 71 N -3.91 1.45 -1.71 0.00 1.01 -0.61 -1.53 120.40 115.11 1uew s VAL 71 Ca 0.12 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.31 1uew s VAL 71 Cb -0.01 -1.35 0.19 0.00 0.00 0.00 0.00 36.38 35.22 1uew s VAL 71 CO 0.00 0.43 0.64 0.59 0.00 0.00 0.00 175.10 176.76 1uew n ASN 72 N 4.48 -2.41 0.00 3.32 3.02 0.34 -0.88 115.26 123.12 1uew n ASN 72 Ca -0.18 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 1uew n ASN 72 Cb 0.51 -2.04 0.00 0.00 -0.61 0.00 0.00 39.78 37.63 1uew n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uew n GLY 73 N -1.15 2.76 3.66 7.41 0.00 -1.26 -5.01 105.19 111.60 1uew n GLY 73 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1uew n GLY 73 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uew s GLN 74 N -0.06 4.20 0.10 1.61 -1.52 -0.06 -4.95 119.66 118.99 1uew s GLN 74 Ca 0.00 1.64 -0.34 0.00 -1.95 0.00 0.00 55.36 54.71 1uew s GLN 74 Cb 0.00 -3.78 -0.13 0.00 -0.22 0.00 0.00 33.01 28.87 1uew s GLN 74 CO 0.00 -0.75 1.64 0.43 -0.25 0.00 0.00 175.29 176.37 1uew n SER 75 N 6.72 3.16 -0.43 5.90 7.64 -1.26 -1.57 113.62 133.78 1uew n SER 75 Ca 0.14 1.06 0.10 0.00 1.01 0.00 0.00 58.87 61.18 1uew n SER 75 Cb 0.45 -1.41 -0.02 0.00 -1.01 0.00 0.00 64.21 62.22 1uew n SER 75 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1uew n ILE 76 N 3.79 0.00 -1.75 0.44 -5.35 -0.97 -4.79 119.36 110.73 1uew n ILE 76 Ca 0.18 -0.24 -0.40 0.00 -0.27 0.00 0.00 62.75 62.02 1uew n ILE 76 Cb 0.29 1.22 0.02 0.00 -1.74 0.00 0.00 39.64 39.43 1uew n ILE 76 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1uew n ILE 77 N -0.20 2.69 0.00 7.28 5.41 -1.26 -3.67 119.36 129.61 1uew n ILE 77 Ca 0.08 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.33 1uew n ILE 77 Cb 0.44 -1.79 0.00 0.00 -0.71 0.00 0.00 39.64 37.57 1uew n ILE 77 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1uew n ASN 78 N -0.05 0.00 -4.75 4.38 2.85 -1.26 -4.98 115.26 111.44 1uew n ASN 78 Ca 0.05 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 54.15 1uew n ASN 78 Cb 0.41 -0.17 0.03 0.00 1.24 0.00 0.00 39.78 41.29 1uew n ASN 78 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1uew s MET 79 N 0.00 3.12 0.76 1.20 -1.94 -1.24 -5.03 119.30 116.17 1uew s MET 79 Ca 0.00 1.96 -0.11 0.00 -1.71 0.00 0.00 55.69 55.83 1uew s MET 79 Cb 0.00 -2.10 0.05 0.00 2.01 0.00 0.00 34.83 34.78 1uew s MET 79 CO 0.00 -1.12 1.08 -1.25 -0.01 0.00 0.00 175.02 173.72 1uew s PRO 80 N -3.10 2.40 0.17 2.03 0.04 -1.26 -4.93 135.00 130.35 1uew s PRO 80 Ca 0.74 0.98 -0.15 0.00 0.04 0.00 0.00 61.00 62.60 1uew s PRO 80 Cb -0.34 -1.93 0.11 0.00 0.04 0.00 0.00 34.50 32.39 1uew s PRO 80 CO 0.38 -1.49 1.73 0.45 0.04 0.00 0.00 177.00 178.12 1uew h HIS 81 N -1.00 0.16 -0.96 0.56 3.86 -1.97 -2.58 115.15 113.21 1uew h HIS 81 Ca -0.45 0.02 0.13 0.00 -1.16 0.00 0.00 60.37 58.92 1uew h HIS 81 Cb 1.23 -0.01 -0.09 0.00 1.06 0.00 0.00 27.41 29.60 1uew h HIS 81 CO 0.56 0.03 0.59 0.00 0.86 0.00 0.00 177.93 179.97 1uew h ALA 82 N 1.30 1.47 -0.18 2.45 0.00 -1.98 0.11 119.26 122.43 1uew h ALA 82 Ca 0.19 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1uew h ALA 82 Cb 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1uew h ALA 82 CO -0.24 0.12 -0.49 -0.44 0.00 0.00 0.00 179.25 178.20 1uew h ASP 83 N 0.88 0.75 -0.34 0.00 5.19 -1.85 0.03 116.42 121.08 1uew h ASP 83 Ca 0.50 -0.58 -0.10 0.00 -0.62 0.00 0.00 57.03 56.23 1uew h ASP 83 Cb 0.57 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.84 1uew h ASP 83 CO -0.30 1.19 -0.12 0.40 -3.12 0.00 0.00 179.24 177.30 1uew h ILE 84 N 0.33 1.26 -0.30 0.35 2.04 -1.25 0.71 117.51 120.66 1uew h ILE 84 Ca -0.01 -1.18 -0.04 0.00 1.00 0.00 0.00 64.86 64.63 1uew h ILE 84 Cb 1.11 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1uew h ILE 84 CO 0.11 0.40 0.05 0.58 0.00 0.00 0.00 178.15 179.29 1uew h VAL 85 N 0.71 1.23 -0.64 1.67 2.07 -0.68 -1.34 116.25 119.27 1uew h VAL 85 Ca 0.12 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 1uew h VAL 85 Cb 0.60 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1uew h VAL 85 CO 0.04 0.26 0.31 0.50 0.02 0.00 0.00 177.57 178.70 1uew h LYS 86 N 0.32 0.92 -0.72 1.57 3.64 -0.76 -1.74 116.57 119.81 1uew h LYS 86 Ca 0.09 -0.14 0.16 0.00 -1.27 0.00 0.00 60.65 59.49 1uew h LYS 86 Cb 0.34 -0.17 -0.12 0.00 -0.41 0.00 0.00 32.23 31.87 1uew h LYS 86 CO 0.01 0.74 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.84 1uew h LEU 87 N 0.88 -0.36 -0.30 5.20 -0.00 -0.65 0.25 115.31 120.33 1uew h LEU 87 Ca 0.22 0.19 -0.19 0.00 -0.00 0.00 0.00 57.88 58.10 1uew h LEU 87 Cb 0.12 0.33 -0.02 0.00 -0.00 0.00 0.00 40.66 41.10 1uew h LEU 87 CO -0.03 -0.17 -0.86 0.40 -0.00 0.00 0.00 178.44 177.78 1uew h ILE 88 N 0.10 1.53 -0.24 1.22 2.04 -0.75 -0.40 117.51 121.00 1uew h ILE 88 Ca 0.38 -2.69 -0.04 0.00 1.00 0.00 0.00 64.86 63.52 1uew h ILE 88 Cb 0.65 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 1uew h ILE 88 CO -0.64 0.78 -0.01 0.50 0.00 0.00 0.00 178.15 178.78 1uew h LYS 89 N 0.07 0.42 0.00 2.37 3.64 -0.67 -2.90 116.57 119.51 1uew h LYS 89 Ca -0.03 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1uew h LYS 89 Cb 1.49 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.28 1uew h LYS 89 CO 0.13 0.61 0.00 0.22 -2.27 0.00 0.00 179.45 178.14 1uew h ASP 90 N 0.19 0.00 -0.08 4.20 1.82 -0.36 -1.03 116.42 121.17 1uew h ASP 90 Ca 0.07 0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.73 1uew h ASP 90 Cb 0.43 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.43 1uew h ASP 90 CO 0.01 0.00 0.08 0.00 -1.61 0.00 0.00 179.24 177.73 1uew h ALA 91 N 2.01 1.69 -4.57 -0.78 0.00 -0.85 -3.47 119.26 113.29 1uew h ALA 91 Ca 0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1uew h ALA 91 Cb 0.04 0.01 0.13 0.00 0.00 0.00 0.00 17.79 17.96 1uew h ALA 91 CO 0.00 -0.12 -0.55 0.41 0.00 0.00 0.00 179.25 178.98 1uew n GLY 92 N -1.38 -0.38 4.23 0.00 0.00 -0.39 -3.05 105.19 104.22 1uew n GLY 92 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1uew n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uew n LEU 93 N -2.72 0.00 -4.59 0.99 4.77 -1.26 -4.93 117.00 109.26 1uew n LEU 93 Ca -0.08 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.53 1uew n LEU 93 Cb 0.59 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.57 1uew n LEU 93 CO 0.39 0.00 -0.19 -0.94 -1.33 0.00 0.00 177.39 175.32 1uew s SER 94 N 0.00 5.90 -0.14 -1.43 1.04 -1.17 -2.03 113.70 115.88 1uew s SER 94 Ca 0.00 -0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.43 1uew s SER 94 Cb 0.00 -2.08 0.02 0.00 0.10 0.00 0.00 66.02 64.06 1uew s SER 94 CO 0.00 -0.01 -0.14 0.54 0.98 0.00 0.00 173.24 174.60 1uew s VAL 95 N 1.54 1.54 -0.03 5.02 0.11 -0.59 -4.64 120.40 123.35 1uew s VAL 95 Ca 0.07 -0.63 -0.20 0.00 -2.93 0.00 0.00 61.98 58.29 1uew s VAL 95 Cb -0.15 -1.44 -0.05 0.00 -1.53 0.00 0.00 36.38 33.21 1uew s VAL 95 CO 0.08 0.45 0.57 -0.89 -3.33 0.00 0.00 175.10 171.99 1uew s THR 96 N 1.33 4.99 -0.02 5.04 2.01 -1.26 -1.10 115.64 126.63 1uew s THR 96 Ca 0.01 1.18 0.06 0.00 0.31 0.00 0.00 61.69 63.26 1uew s THR 96 Cb -0.13 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.45 1uew s THR 96 CO -0.08 0.39 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.27 1uew s LEU 97 N 0.03 2.03 -0.25 4.42 1.43 0.10 -0.51 118.68 125.94 1uew s LEU 97 Ca 0.30 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.99 1uew s LEU 97 Cb -0.17 -1.09 0.02 0.00 0.03 0.00 0.00 46.19 44.97 1uew s LEU 97 CO 0.16 0.25 -0.04 -0.60 0.23 0.00 0.00 176.35 176.35 1uew s ARG 98 N -0.43 2.95 0.37 1.70 3.52 -0.58 -0.54 118.95 125.94 1uew s ARG 98 Ca 0.06 -0.91 0.08 0.00 -0.13 0.00 0.00 55.73 54.84 1uew s ARG 98 Cb -0.09 -3.04 -0.05 0.00 -1.56 0.00 0.00 34.95 30.21 1uew s ARG 98 CO -0.00 -0.38 0.15 0.96 -0.81 0.00 0.00 175.30 175.22 1uew s ILE 99 N 1.37 2.73 -0.04 4.11 -4.36 -1.26 -0.66 121.20 123.09 1uew s ILE 99 Ca 0.01 -1.70 -0.15 0.00 -0.26 0.00 0.00 60.65 58.55 1uew s ILE 99 Cb -0.16 -2.96 -0.08 0.00 1.25 0.00 0.00 42.46 40.50 1uew s ILE 99 CO -0.03 -0.12 0.62 0.40 0.24 0.00 0.00 174.94 176.05 1uew h ILE 100 N 1.51 0.02 -3.38 8.37 2.04 -1.81 -1.64 117.51 122.62 1uew h ILE 100 Ca -0.43 -0.62 -0.45 0.00 1.00 0.00 0.00 64.86 64.35 1uew h ILE 100 Cb 1.25 0.04 0.22 0.00 -0.74 0.00 0.00 36.82 37.59 1uew h ILE 100 CO 0.65 0.01 0.01 -0.81 0.00 0.00 0.00 178.15 178.00 1uew n PRO 101 N -5.13 -2.14 -3.71 2.37 -0.04 -1.26 -3.54 135.00 121.56 1uew n PRO 101 Ca -0.07 -0.59 -0.13 0.00 -0.04 0.00 0.00 63.50 62.68 1uew n PRO 101 Cb 0.21 -2.20 -0.13 0.00 -0.04 0.00 0.00 33.50 31.35 1uew n PRO 101 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1uew s GLN 102 N -4.42 0.19 0.15 0.54 -0.21 -1.26 -3.87 119.66 110.78 1uew s GLN 102 Ca 0.68 0.60 0.17 0.00 0.02 0.00 0.00 55.36 56.83 1uew s GLN 102 Cb -0.25 -0.10 -0.05 0.00 1.00 0.00 0.00 33.01 33.62 1uew s GLN 102 CO 0.64 -0.20 1.06 1.05 -2.12 0.00 0.00 175.29 175.72 1uew h GLU 103 N 7.55 0.00 -0.00 2.91 9.09 -1.98 -3.40 114.58 128.75 1uew h GLU 103 Ca -0.32 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.09 1uew h GLU 103 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.24 1uew h GLU 103 CO 0.30 0.31 -0.13 -0.85 0.05 0.00 0.00 179.01 178.69 1uew n GLU 104 N -2.97 0.61 -3.35 1.06 0.28 -1.26 -4.00 120.64 111.01 1uew n GLU 104 Ca -0.05 -0.21 -0.26 0.00 -0.16 0.00 0.00 57.16 56.48 1uew n GLU 104 Cb 0.76 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 32.06 1uew n GLU 104 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1uew n LEU 105 N -1.01 3.17 0.17 -1.84 4.77 -1.26 -4.95 117.00 116.06 1uew n LEU 105 Ca 0.13 -5.33 -0.14 0.00 -0.03 0.00 0.00 56.01 50.65 1uew n LEU 105 Cb 0.29 -0.43 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 1uew n LEU 105 CO 0.25 2.08 0.62 -1.13 -1.33 0.00 0.00 177.39 177.88 1uew h ASN 106 N 4.07 -0.36 -4.60 -1.43 -1.24 -1.89 -3.47 115.58 106.66 1uew h ASN 106 Ca 0.17 -0.12 0.01 0.00 0.71 0.00 0.00 56.30 57.07 1uew h ASN 106 Cb 0.69 0.09 -0.20 0.00 0.73 0.00 0.00 38.32 39.64 1uew h ASN 106 CO 0.77 -0.08 0.37 -0.44 -1.29 0.00 0.00 177.43 176.76 1uew s SER 107 N -4.99 -0.51 -1.39 1.15 0.01 -1.26 -5.08 113.70 101.64 1uew s SER 107 Ca -0.15 0.50 -0.15 0.00 1.31 0.00 0.00 55.95 57.46 1uew s SER 107 Cb 0.03 0.43 0.04 0.00 0.21 0.00 0.00 66.02 66.73 1uew s SER 107 CO 0.58 -0.51 2.09 -0.81 0.41 0.00 0.00 173.24 175.01 1uew n PRO 108 N 0.69 2.86 -1.27 12.44 -0.04 -1.26 -4.66 135.00 143.76 1uew n PRO 108 Ca -0.14 -2.73 -0.09 0.00 -0.04 0.00 0.00 63.50 60.49 1uew n PRO 108 Cb 0.58 -3.33 -0.04 0.00 -0.04 0.00 0.00 33.50 30.67 1uew n PRO 108 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1uew n SER 109 N 6.83 -5.59 -4.77 3.54 7.64 -1.26 -4.96 113.62 115.05 1uew n SER 109 Ca 0.51 0.23 -0.37 0.00 1.01 0.00 0.00 58.87 60.25 1uew n SER 109 Cb 0.41 -3.91 -0.00 0.00 -1.01 0.00 0.00 64.21 59.69 1uew n SER 109 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1uew s GLY 110 N -2.38 2.80 0.87 0.23 0.00 -1.26 -4.99 107.32 102.59 1uew s GLY 110 Ca 0.00 1.01 -0.11 0.00 0.00 0.00 0.00 44.72 45.62 1uew s GLY 110 CO 0.00 1.48 1.14 2.56 0.00 0.00 0.00 173.10 178.29 1uew s PRO 111 N -2.69 1.38 0.00 2.90 0.04 -1.26 -5.00 135.00 130.37 1uew s PRO 111 Ca 0.64 1.51 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1uew s PRO 111 Cb -0.31 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1uew s PRO 111 CO 0.37 -2.36 0.00 0.43 0.04 0.00 0.00 177.00 175.49 1uew n SER 112 N -3.92 0.00 -2.56 6.66 7.64 -1.26 -5.14 113.62 115.04 1uew n SER 112 Ca 0.12 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.96 1uew n SER 112 Cb 0.52 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.74 1uew n SER 112 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uew n SER 113 N 0.00 -1.43 0.00 6.43 7.64 -1.26 -5.35 113.62 119.64 1uew n SER 113 Ca 0.00 -1.86 0.04 0.00 1.01 0.00 0.00 58.87 58.06 1uew n SER 113 Cb 0.00 2.36 0.23 0.00 -1.01 0.00 0.00 64.21 65.79 1uew n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64