#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uew n SER 2 N 0.00 -4.75 -4.73 1.61 7.64 -1.26 -4.96 113.62 107.16 1uew n SER 2 Ca 0.00 0.64 -0.42 0.00 1.01 0.00 0.00 58.87 60.09 1uew n SER 2 Cb 0.00 -2.99 -0.02 0.00 -1.01 0.00 0.00 64.21 60.20 1uew n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uew n SER 3 N 0.28 3.65 -0.03 6.43 7.64 -1.26 -4.95 113.62 125.39 1uew n SER 3 Ca 0.00 1.15 -0.13 0.00 1.01 0.00 0.00 58.87 60.90 1uew n SER 3 Cb 0.01 -1.56 -0.11 0.00 -1.01 0.00 0.00 64.21 61.54 1uew n SER 3 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1uew h GLY 4 N 4.60 0.00 -6.87 0.23 0.00 -2.11 -3.48 103.07 95.44 1uew h GLY 4 Ca -0.47 -0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.27 1uew h GLY 4 CO 0.78 0.00 -1.01 1.44 0.00 0.00 0.00 176.54 177.76 1uew n SER 5 N -4.78 -4.03 -4.27 0.19 7.64 -1.26 -4.97 113.62 102.14 1uew n SER 5 Ca -0.09 -1.27 -0.19 0.00 1.01 0.00 0.00 58.87 58.33 1uew n SER 5 Cb 0.32 -1.85 -0.11 0.00 -1.01 0.00 0.00 64.21 61.56 1uew n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uew s SER 6 N -3.56 2.19 -0.38 6.43 0.15 -1.26 -5.11 113.70 112.16 1uew s SER 6 Ca 0.47 -0.82 0.05 0.00 0.70 0.00 0.00 55.95 56.35 1uew s SER 6 Cb -0.25 -0.09 0.18 0.00 -1.71 0.00 0.00 66.02 64.15 1uew s SER 6 CO 0.96 -0.11 0.70 -0.83 1.20 0.00 0.00 173.24 175.16 1uew s GLY 7 N -2.50 -1.30 -0.28 9.45 0.00 -1.26 -5.09 107.32 106.34 1uew s GLY 7 Ca 0.11 0.56 -0.04 0.00 0.00 0.00 0.00 44.72 45.35 1uew s GLY 7 CO 0.04 3.78 0.13 -0.56 0.00 0.00 0.00 173.10 176.48 1uew s SER 8 N 2.05 3.49 0.20 1.64 0.01 -1.26 -5.12 113.70 114.72 1uew s SER 8 Ca 0.15 -1.27 -0.19 0.00 1.31 0.00 0.00 55.95 55.96 1uew s SER 8 Cb -0.04 -0.37 0.03 0.00 0.21 0.00 0.00 66.02 65.85 1uew s SER 8 CO -0.11 -0.43 0.56 -0.22 0.41 0.00 0.00 173.24 173.44 1uew s LEU 9 N 2.08 -0.04 -0.06 2.44 2.96 -1.26 -5.16 118.68 119.63 1uew s LEU 9 Ca 0.09 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.52 1uew s LEU 9 Cb -0.16 2.27 0.04 0.00 0.50 0.00 0.00 46.19 48.84 1uew s LEU 9 CO -0.35 -1.08 0.12 -1.58 -1.32 0.00 0.00 176.35 172.14 1uew s GLN 10 N -3.87 0.04 0.29 1.98 0.74 -1.26 -5.16 119.66 112.43 1uew s GLN 10 Ca 0.09 0.37 0.05 0.00 0.05 0.00 0.00 55.36 55.92 1uew s GLN 10 Cb -0.02 -0.23 -0.06 0.00 1.10 0.00 0.00 33.01 33.80 1uew s GLN 10 CO -0.02 -0.20 -0.00 0.95 -0.55 0.00 0.00 175.29 175.46 1uew s THR 11 N 1.42 1.38 0.11 -0.34 -4.23 -1.26 -4.69 115.64 108.02 1uew s THR 11 Ca -0.06 -2.06 0.11 0.00 -1.18 0.00 0.00 61.69 58.50 1uew s THR 11 Cb -0.12 -2.58 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 1uew s THR 11 CO -0.05 -0.18 -0.27 -0.44 -0.54 0.00 0.00 174.62 173.14 1uew s SER 12 N -3.44 3.25 0.23 3.99 0.01 -0.21 -4.98 113.70 112.55 1uew s SER 12 Ca 0.32 -0.71 -0.01 0.00 1.31 0.00 0.00 55.95 56.86 1uew s SER 12 Cb 0.06 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 1uew s SER 12 CO 0.13 0.19 0.43 -1.81 0.41 0.00 0.00 173.24 172.59 1uew s ASP 13 N -1.88 6.38 -0.25 2.44 1.11 -1.26 -0.75 116.67 122.45 1uew s ASP 13 Ca 0.13 0.42 -0.03 0.00 0.18 0.00 0.00 52.55 53.25 1uew s ASP 13 Cb -0.10 -2.02 0.09 0.00 1.07 0.00 0.00 42.92 41.96 1uew s ASP 13 CO 0.05 -0.09 0.10 -0.69 1.18 0.00 0.00 175.17 175.72 1uew s VAL 14 N -1.95 0.21 -0.14 -1.27 1.01 -0.34 -4.92 120.40 113.00 1uew s VAL 14 Ca 0.39 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 1uew s VAL 14 Cb -0.11 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 1uew s VAL 14 CO 0.30 -0.55 0.19 0.54 0.00 0.00 0.00 175.10 175.58 1uew s VAL 15 N 1.97 5.39 -0.04 2.92 0.11 -1.26 -0.90 120.40 128.59 1uew s VAL 15 Ca 0.06 0.33 -0.02 0.00 -2.93 0.00 0.00 61.98 59.41 1uew s VAL 15 Cb -0.16 -3.50 0.02 0.00 -1.53 0.00 0.00 36.38 31.21 1uew s VAL 15 CO -0.24 0.51 0.10 -0.63 -3.33 0.00 0.00 175.10 171.51 1uew s ILE 16 N -0.29 -0.03 0.25 7.04 1.01 -1.08 -5.00 121.20 123.10 1uew s ILE 16 Ca 0.14 0.11 0.10 0.00 0.00 0.00 0.00 60.65 61.00 1uew s ILE 16 Cb -0.12 -0.17 -0.04 0.00 0.01 0.00 0.00 42.46 42.13 1uew s ILE 16 CO 0.03 0.05 -0.04 -1.00 0.00 0.00 0.00 174.94 173.98 1uew s HIS 17 N 0.69 2.65 0.32 3.97 3.76 -1.26 -1.82 115.29 123.59 1uew s HIS 17 Ca -0.05 -0.23 -0.09 0.00 -0.15 0.00 0.00 55.06 54.54 1uew s HIS 17 Cb -0.07 -1.19 0.01 0.00 1.11 0.00 0.00 32.58 32.44 1uew s HIS 17 CO -0.03 0.62 0.54 -0.98 -0.85 0.00 0.00 174.74 174.04 1uew s ARG 18 N -3.52 1.86 0.88 1.40 1.70 -0.42 -4.83 118.95 116.02 1uew s ARG 18 Ca 0.30 -1.52 -0.11 0.00 -0.47 0.00 0.00 55.73 53.93 1uew s ARG 18 Cb -0.07 0.49 0.12 0.00 -0.57 0.00 0.00 34.95 34.93 1uew s ARG 18 CO 0.19 -0.80 1.10 0.15 -1.08 0.00 0.00 175.30 174.86 1uew s LYS 19 N -3.22 1.36 0.11 3.89 3.01 -1.26 -4.76 119.74 118.87 1uew s LYS 19 Ca 0.25 1.18 -0.22 0.00 -1.01 0.00 0.00 55.97 56.17 1uew s LYS 19 Cb -0.02 -1.79 -0.09 0.00 -1.01 0.00 0.00 37.83 34.92 1uew s LYS 19 CO 0.15 -2.27 1.72 1.49 0.51 0.00 0.00 175.35 176.95 1uew h GLU 20 N -1.59 -0.00 0.00 1.68 4.81 -2.01 -3.03 114.58 114.43 1uew h GLU 20 Ca -0.46 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.73 1uew h GLU 20 Cb 1.26 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 1uew h GLU 20 CO 0.49 -0.00 -0.16 -0.97 -0.73 0.00 0.00 179.01 177.64 1uew h ASN 21 N -0.00 0.00 -3.48 1.04 -1.24 -2.02 -3.44 115.58 106.43 1uew h ASN 21 Ca 0.05 0.00 -0.42 0.00 0.71 0.00 0.00 56.30 56.63 1uew h ASN 21 Cb 0.07 0.00 0.19 0.00 0.73 0.00 0.00 38.32 39.31 1uew h ASN 21 CO -0.10 0.16 0.08 -1.61 -1.29 0.00 0.00 177.43 174.68 1uew s GLU 22 N -3.33 -1.02 -0.35 6.67 0.41 -1.15 -5.04 118.70 114.89 1uew s GLU 22 Ca 0.04 0.28 0.14 0.00 -0.41 0.00 0.00 54.97 55.02 1uew s GLU 22 Cb 0.07 -1.59 0.43 0.00 -1.78 0.00 0.00 34.13 31.26 1uew s GLU 22 CO 0.66 -3.65 1.28 0.41 -0.49 0.00 0.00 175.26 173.47 1uew n GLY 23 N -0.30 1.62 4.49 -1.39 0.00 -1.26 -4.92 105.19 103.42 1uew n GLY 23 Ca 0.09 -0.53 0.04 0.00 0.00 0.00 0.00 46.02 45.62 1uew n GLY 23 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1uew n PHE 24 N -0.72 -2.06 -2.56 1.61 3.72 -1.26 -4.71 117.46 111.48 1uew n PHE 24 Ca -0.03 0.38 -0.13 0.00 -0.05 0.00 0.00 57.45 57.63 1uew n PHE 24 Cb 0.84 -0.61 0.03 0.00 -0.94 0.00 0.00 39.48 38.80 1uew n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uew n GLY 25 N -0.99 3.37 3.06 1.37 0.00 -1.26 -4.98 105.19 105.76 1uew n GLY 25 Ca 0.00 -1.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.48 0.55 -0.05 1.61 -0.71 -1.26 -0.93 117.98 113.71 1uew s PHE 26 Ca 0.36 -0.68 -0.01 0.00 -1.04 0.00 0.00 56.93 55.55 1uew s PHE 26 Cb 0.40 -0.35 0.03 0.00 -1.21 0.00 0.00 43.02 41.89 1uew s PHE 26 CO -0.03 -0.18 0.02 0.08 -1.34 0.00 0.00 175.22 173.77 1uew s VAL 27 N -2.24 0.15 0.36 -2.49 1.01 0.06 -4.97 120.40 112.27 1uew s VAL 27 Ca -0.05 0.21 -0.14 0.00 0.00 0.00 0.00 61.98 62.00 1uew s VAL 27 Cb -0.04 -0.32 -0.09 0.00 0.00 0.00 0.00 36.38 35.93 1uew s VAL 27 CO -0.03 0.20 0.77 -0.63 0.00 0.00 0.00 175.10 175.41 1uew s ILE 28 N 1.73 4.67 0.20 2.22 1.09 -1.26 -0.37 121.20 129.48 1uew s ILE 28 Ca 0.00 0.93 0.04 0.00 -1.10 0.00 0.00 60.65 60.52 1uew s ILE 28 Cb -0.13 -3.64 -0.05 0.00 -1.06 0.00 0.00 42.46 37.59 1uew s ILE 28 CO -0.03 -0.29 -0.04 0.27 -0.10 0.00 0.00 174.94 174.75 1uew s ILE 29 N -2.11 1.07 -0.12 2.92 -4.36 -0.93 -4.73 121.20 112.95 1uew s ILE 29 Ca 0.54 -2.04 -0.28 0.00 -0.26 0.00 0.00 60.65 58.61 1uew s ILE 29 Cb -0.10 -2.15 -0.24 0.00 1.25 0.00 0.00 42.46 41.21 1uew s ILE 29 CO 0.21 -0.48 0.83 0.28 0.24 0.00 0.00 174.94 176.02 1uew h SER 30 N 2.59 -0.00 -5.58 4.36 0.02 -1.87 -3.25 113.55 109.82 1uew h SER 30 Ca -0.38 -0.89 0.00 0.00 -0.84 0.00 0.00 61.79 59.69 1uew h SER 30 Cb 1.21 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.70 1uew h SER 30 CO 0.64 0.90 -0.62 -0.24 -1.14 0.00 0.00 176.83 176.37 1uew n SER 31 N -4.66 -4.67 -0.35 3.07 2.88 -1.26 -4.60 113.62 104.03 1uew n SER 31 Ca -0.10 1.14 0.25 0.00 -1.33 0.00 0.00 58.87 58.84 1uew n SER 31 Cb 0.43 -3.01 0.53 0.00 -0.75 0.00 0.00 64.21 61.41 1uew n SER 31 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1uew h LEU 32 N 4.66 0.43 -3.04 2.46 3.38 -1.97 -3.47 115.31 117.75 1uew h LEU 32 Ca -0.21 0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.68 1uew h LEU 32 Cb 0.47 0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.28 1uew h LEU 32 CO 0.00 0.01 -0.97 -3.20 0.09 0.00 0.00 178.44 174.38 1uew n ASN 33 N -4.70 -6.59 -4.76 -0.43 2.85 -1.26 -4.93 115.26 95.44 1uew n ASN 33 Ca 0.28 0.27 -0.35 0.00 -0.11 0.00 0.00 54.58 54.67 1uew n ASN 33 Cb 0.99 -3.02 0.03 0.00 1.24 0.00 0.00 39.78 39.02 1uew n ASN 33 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1uew s ARG 34 N -2.19 3.02 0.87 1.20 1.70 -1.26 -4.93 118.95 117.36 1uew s ARG 34 Ca 0.25 1.74 -0.11 0.00 -0.47 0.00 0.00 55.73 57.14 1uew s ARG 34 Cb -0.04 -1.95 0.11 0.00 -0.57 0.00 0.00 34.95 32.51 1uew s ARG 34 CO 0.70 -1.14 1.09 -1.25 -1.08 0.00 0.00 175.30 173.62 1uew s PRO 35 N -3.39 1.47 0.00 3.89 0.04 -1.26 -4.96 135.00 130.79 1uew s PRO 35 Ca 0.75 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1uew s PRO 35 Cb -0.28 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1uew s PRO 35 CO 0.32 -2.14 0.00 -0.85 0.04 0.00 0.00 177.00 174.37 1uew n GLU 36 N -3.84 0.00 -3.83 4.56 0.28 -1.26 -5.15 120.64 111.40 1uew n GLU 36 Ca 0.08 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.00 1uew n GLU 36 Cb 0.54 -0.16 0.01 0.00 1.43 0.00 0.00 31.44 33.26 1uew n GLU 36 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1uew s SER 37 N -2.79 -0.10 0.75 -1.84 0.15 -1.26 -5.15 113.70 103.46 1uew s SER 37 Ca 0.00 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 55.74 1uew s SER 37 Cb 0.00 0.78 0.00 0.00 -1.71 0.00 0.00 66.02 65.09 1uew s SER 37 CO 0.00 -1.51 0.00 0.61 1.20 0.00 0.00 173.24 173.54 1uew n GLY 38 N -0.51 0.62 2.90 9.45 0.00 -1.26 -4.40 105.19 112.00 1uew n GLY 38 Ca -0.06 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 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 -4.00 4.25 -0.26 1.61 0.01 -1.26 -5.11 113.70 108.94 1uew s SER 39 Ca 0.00 -1.69 -0.08 0.00 1.31 0.00 0.00 55.95 55.49 1uew s SER 39 Cb 0.00 -1.25 -0.02 0.00 0.21 0.00 0.00 66.02 64.96 1uew s SER 39 CO 0.00 -0.35 0.09 0.42 0.41 0.00 0.00 173.24 173.82 1uew s THR 40 N 1.28 4.41 0.47 1.44 -4.23 -1.26 -5.08 115.64 112.68 1uew s THR 40 Ca 0.05 -0.22 -0.23 0.00 -1.18 0.00 0.00 61.69 60.12 1uew s THR 40 Cb -0.18 -3.11 -0.09 0.00 1.34 0.00 0.00 72.50 70.45 1uew s THR 40 CO -0.13 0.27 0.98 2.30 -0.54 0.00 0.00 174.62 177.50 1uew n ILE 41 N 4.94 2.70 -2.56 2.99 -6.64 -1.26 -4.94 119.36 114.59 1uew n ILE 41 Ca -0.16 -0.50 -0.39 0.00 -1.77 0.00 0.00 62.75 59.94 1uew n ILE 41 Cb 0.51 -1.14 -0.05 0.00 -1.44 0.00 0.00 39.64 37.52 1uew n ILE 41 CO 0.00 0.00 0.00 -0.89 -1.77 0.00 0.00 176.55 173.89 1uew s THR 42 N -1.35 3.70 0.03 7.28 2.01 -1.26 -5.07 115.64 120.97 1uew s THR 42 Ca 0.66 1.55 0.06 0.00 0.31 0.00 0.00 61.69 64.28 1uew s THR 42 Cb -0.52 -3.93 -0.02 0.00 0.01 0.00 0.00 72.50 68.04 1uew s THR 42 CO 0.55 0.25 -0.18 0.54 -0.69 0.00 0.00 174.62 175.09 1uew s VAL 43 N -1.35 1.45 0.00 3.82 0.11 -1.26 -5.12 120.40 118.04 1uew s VAL 43 Ca 0.49 -1.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.50 1uew s VAL 43 Cb -0.27 -1.26 0.00 0.00 -1.53 0.00 0.00 36.38 33.32 1uew s VAL 43 CO 0.34 0.19 0.00 -0.81 -3.33 0.00 0.00 175.10 171.50 1uew n PRO 44 N 2.05 0.00 -1.69 1.54 -0.04 -1.26 -4.86 135.00 130.73 1uew n PRO 44 Ca -0.17 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.87 1uew n PRO 44 Cb 0.54 -0.04 -0.03 0.00 -0.04 0.00 0.00 33.50 33.93 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 0.00 1.31 0.04 0.54 3.76 -1.26 -4.57 115.29 115.11 1uew s HIS 45 Ca 0.00 0.17 -0.12 0.00 -0.15 0.00 0.00 55.06 54.96 1uew s HIS 45 Cb 0.00 -4.06 0.01 0.00 1.11 0.00 0.00 32.58 29.65 1uew s HIS 45 CO 0.00 -4.50 0.27 -1.59 -0.85 0.00 0.00 174.74 168.06 1uew s LYS 46 N 5.47 0.77 0.19 1.40 0.00 -1.23 -1.17 119.74 125.18 1uew s LYS 46 Ca 0.93 -0.55 -0.32 0.00 0.00 0.00 0.00 55.97 56.03 1uew s LYS 46 Cb -0.35 0.33 -0.11 0.00 0.00 0.00 0.00 37.83 37.69 1uew s LYS 46 CO 0.37 -0.24 1.71 0.42 0.00 0.00 0.00 175.35 177.61 1uew s ILE 47 N -2.55 2.22 -0.23 3.79 -1.09 -0.87 -2.19 121.20 120.27 1uew s ILE 47 Ca -0.05 0.10 0.08 0.00 -2.23 0.00 0.00 60.65 58.55 1uew s ILE 47 Cb -0.01 -3.06 -0.20 0.00 -1.58 0.00 0.00 42.46 37.61 1uew s ILE 47 CO -0.03 0.01 -0.12 0.61 -1.23 0.00 0.00 174.94 174.18 1uew n GLY 48 N 3.99 -0.60 3.23 6.18 0.00 0.50 -2.49 105.19 116.00 1uew n GLY 48 Ca 0.16 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.50 0.70 -0.02 1.61 3.52 -1.15 -4.98 118.95 116.12 1uew s ARG 49 Ca -0.25 -0.33 0.05 0.00 -0.13 0.00 0.00 55.73 55.06 1uew s ARG 49 Cb 0.08 0.30 -0.01 0.00 -1.56 0.00 0.00 34.95 33.76 1uew s ARG 49 CO 0.68 -0.20 -0.17 0.42 -0.81 0.00 0.00 175.30 175.22 1uew s ILE 50 N -1.78 1.35 -0.20 4.11 1.01 -1.26 -0.76 121.20 123.66 1uew s ILE 50 Ca -0.11 -0.72 -0.27 0.00 0.00 0.00 0.00 60.65 59.55 1uew s ILE 50 Cb -0.04 -1.12 -0.00 0.00 0.01 0.00 0.00 42.46 41.31 1uew s ILE 50 CO 0.01 0.38 0.94 -0.63 0.00 0.00 0.00 174.94 175.65 1uew s ILE 51 N -0.36 4.78 0.07 2.92 1.09 -0.11 -4.98 121.20 124.61 1uew s ILE 51 Ca 0.06 1.84 -0.36 0.00 -1.10 0.00 0.00 60.65 61.09 1uew s ILE 51 Cb -0.07 -4.23 -0.15 0.00 -1.06 0.00 0.00 42.46 36.95 1uew s ILE 51 CO -0.00 -0.08 1.51 0.47 -0.10 0.00 0.00 174.94 176.74 1uew n ASP 52 N 5.78 2.41 0.00 3.58 9.92 -1.26 -2.17 116.55 134.81 1uew n ASP 52 Ca 0.08 1.09 0.00 0.00 -0.53 0.00 0.00 54.79 55.43 1uew n ASP 52 Cb 0.47 -1.29 0.00 0.00 -0.64 0.00 0.00 41.12 39.66 1uew n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1uew n GLY 53 N 3.16 1.36 3.74 0.44 0.00 -1.26 -5.06 105.19 107.57 1uew n GLY 53 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.15 3.86 0.40 1.61 1.04 -0.92 -4.78 113.70 112.76 1uew s SER 54 Ca 0.00 1.62 0.10 0.00 0.48 0.00 0.00 55.95 58.15 1uew s SER 54 Cb 0.00 -2.31 0.90 0.00 0.10 0.00 0.00 66.02 64.72 1uew s SER 54 CO 0.00 -2.41 1.97 1.55 0.98 0.00 0.00 173.24 175.33 1uew h PRO 55 N -1.39 0.54 -0.07 4.02 0.13 -1.90 0.40 132.00 133.72 1uew h PRO 55 Ca -0.47 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1uew h PRO 55 Cb 1.26 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1uew h PRO 55 CO 0.53 0.36 0.05 0.00 -0.23 0.00 0.00 178.00 178.71 1uew h ALA 56 N 1.66 0.09 -0.04 -0.56 0.00 -1.90 -1.26 119.26 117.25 1uew h ALA 56 Ca 0.29 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1uew h ALA 56 Cb 0.40 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1uew h ALA 56 CO -0.09 -0.40 0.02 0.22 0.00 0.00 0.00 179.25 179.00 1uew h ASP 57 N 0.08 0.05 -0.11 0.00 3.58 -1.62 -3.15 116.42 115.25 1uew h ASP 57 Ca 0.03 -0.11 0.04 0.00 0.42 0.00 0.00 57.03 57.41 1uew h ASP 57 Cb 0.01 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.00 1uew h ASP 57 CO -0.01 0.15 -0.21 0.03 -2.88 0.00 0.00 179.24 176.32 1uew h ARG 58 N -0.04 -0.27 0.00 0.28 2.47 -0.90 -2.68 114.38 113.23 1uew h ARG 58 Ca 0.01 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1uew h ARG 58 Cb 0.11 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1uew h ARG 58 CO -0.00 -0.18 0.00 0.00 0.56 0.00 0.00 179.97 180.35 1uew n ALA 60 N -1.73 -0.03 1.01 0.00 0.00 -1.01 -4.73 120.51 114.01 1uew n ALA 60 Ca 0.00 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.59 1uew n ALA 60 Cb 0.12 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 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 0.18 0.74 -4.17 0.00 5.02 -1.26 -4.72 118.16 113.95 1uew n LYS 61 Ca -0.02 -0.60 -0.34 0.00 -2.02 0.00 0.00 58.31 55.32 1uew n LYS 61 Cb 0.32 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.76 1uew n LYS 61 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1uew s LEU 62 N -2.68 3.84 0.20 -0.35 1.43 -1.26 -4.90 118.68 114.95 1uew s LEU 62 Ca 0.15 0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.41 1uew s LEU 62 Cb 0.17 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1uew s LEU 62 CO 0.68 0.33 0.15 -1.59 0.23 0.00 0.00 176.35 176.15 1uew s LYS 63 N -1.33 1.20 -0.41 1.70 -2.85 -1.26 -4.90 119.74 111.88 1uew s LYS 63 Ca 0.18 -1.59 -0.29 0.00 -1.00 0.00 0.00 55.97 53.28 1uew s LYS 63 Cb -0.12 0.28 0.00 0.00 -2.06 0.00 0.00 37.83 35.94 1uew s LYS 63 CO 0.08 -0.40 1.52 0.08 0.10 0.00 0.00 175.35 176.74 1uew s VAL 64 N -4.14 3.77 0.00 1.79 1.01 -1.26 -1.31 120.40 120.26 1uew s VAL 64 Ca 0.37 0.77 0.00 0.00 0.00 0.00 0.00 61.98 63.12 1uew s VAL 64 Cb 0.07 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1uew s VAL 64 CO 0.11 -0.71 0.00 0.61 0.00 0.00 0.00 175.10 175.11 1uew n GLY 65 N 5.20 1.38 3.56 4.51 0.00 -1.04 -4.98 105.19 113.83 1uew n GLY 65 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.54 5.75 -0.17 1.61 1.01 -0.43 -4.81 116.67 118.10 1uew s ASP 66 Ca 0.00 0.15 -0.38 0.00 0.71 0.00 0.00 52.55 53.03 1uew s ASP 66 Cb 0.00 -2.54 -0.14 0.00 1.01 0.00 0.00 42.92 41.25 1uew s ASP 66 CO 0.00 -2.04 1.75 0.54 0.21 0.00 0.00 175.17 175.63 1uew n ARG 67 N 9.08 1.55 -3.58 8.23 1.74 -1.26 -2.06 116.66 130.36 1uew n ARG 67 Ca 0.14 0.57 -0.41 0.00 -0.77 0.00 0.00 57.85 57.38 1uew n ARG 67 Cb 0.50 -2.31 -0.10 0.00 -1.02 0.00 0.00 32.46 29.54 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 3.36 4.45 -0.07 0.55 1.01 -0.31 -3.47 121.20 126.71 1uew s ILE 68 Ca 0.94 -1.17 0.13 0.00 0.00 0.00 0.00 60.65 60.55 1uew s ILE 68 Cb -0.92 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 37.90 1uew s ILE 68 CO 0.58 -0.41 1.37 -0.07 0.00 0.00 0.00 174.94 176.41 1uew h LEU 69 N 8.45 0.00 -7.14 2.97 -0.00 -1.71 -3.41 115.31 114.47 1uew h LEU 69 Ca -0.24 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.59 1uew h LEU 69 Cb 1.09 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 41.60 1uew h LEU 69 CO 0.74 0.66 0.09 0.00 -0.00 0.00 0.00 178.44 179.92 1uew s ALA 70 N -2.88 -1.42 -0.02 1.53 0.00 -1.25 -4.28 121.76 113.44 1uew s ALA 70 Ca 0.03 0.64 -0.00 0.00 0.00 0.00 0.00 51.96 52.63 1uew s ALA 70 Cb 0.08 0.45 0.02 0.00 0.00 0.00 0.00 23.12 23.68 1uew s ALA 70 CO 0.77 -0.55 0.03 0.08 0.00 0.00 0.00 175.76 176.09 1uew s VAL 71 N -2.62 -0.05 -1.12 0.00 1.01 -1.26 -1.16 120.40 115.21 1uew s VAL 71 Ca -0.04 0.17 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 1uew s VAL 71 Cb -0.00 -0.08 0.08 0.00 0.00 0.00 0.00 36.38 36.38 1uew s VAL 71 CO -0.03 0.07 0.38 0.59 0.00 0.00 0.00 175.10 176.11 1uew n ASN 72 N 3.96 -2.85 -2.07 3.32 3.02 -0.33 -0.96 115.26 119.36 1uew n ASN 72 Ca -0.25 -0.33 -0.17 0.00 -0.03 0.00 0.00 54.58 53.81 1uew n ASN 72 Cb 0.52 -2.41 -0.03 0.00 -0.61 0.00 0.00 39.78 37.25 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 -0.99 0.29 3.00 7.41 0.00 -1.26 -4.95 105.19 108.68 1uew n GLY 73 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1uew n GLY 73 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1uew s GLN 74 N -4.43 1.67 -0.47 1.61 2.00 -0.13 -5.06 119.66 114.85 1uew s GLN 74 Ca 0.00 -1.50 -0.27 0.00 -2.00 0.00 0.00 55.36 51.59 1uew s GLN 74 Cb 0.00 -2.91 -0.04 0.00 0.80 0.00 0.00 33.01 30.86 1uew s GLN 74 CO 0.00 -0.77 2.07 -1.54 -0.50 0.00 0.00 175.29 174.55 1uew s SER 75 N 1.10 5.13 0.00 6.67 1.04 -1.26 -4.09 113.70 122.29 1uew s SER 75 Ca 0.02 0.96 0.21 0.00 0.48 0.00 0.00 55.95 57.62 1uew s SER 75 Cb -0.19 -2.52 1.11 0.00 0.10 0.00 0.00 66.02 64.52 1uew s SER 75 CO -0.08 -2.37 1.69 2.30 0.98 0.00 0.00 173.24 175.76 1uew n ILE 76 N 7.58 0.30 0.26 -1.02 -5.35 -1.26 -3.19 119.36 116.67 1uew n ILE 76 Ca 0.27 0.07 0.15 0.00 -0.27 0.00 0.00 62.75 62.97 1uew n ILE 76 Cb 0.51 -0.72 0.57 0.00 -1.74 0.00 0.00 39.64 38.26 1uew n ILE 76 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 1uew h ILE 77 N 0.00 0.18 0.00 7.28 1.08 -1.89 -3.33 117.51 120.83 1uew h ILE 77 Ca 0.00 -0.75 -0.03 0.00 -0.39 0.00 0.00 64.86 63.70 1uew h ILE 77 Cb 0.18 1.63 -0.01 0.00 -3.07 0.00 0.00 36.82 35.56 1uew h ILE 77 CO 0.00 0.07 -1.12 -0.46 -0.69 0.00 0.00 178.15 175.96 1uew n ASN 78 N -3.19 4.57 -4.72 1.72 0.23 -1.19 -5.05 115.26 107.63 1uew n ASN 78 Ca 0.01 0.00 -0.36 0.00 -0.53 0.00 0.00 54.58 53.70 1uew n ASN 78 Cb 0.36 0.61 0.09 0.00 -2.08 0.00 0.00 39.78 38.76 1uew n ASN 78 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1uew s MET 79 N -2.05 2.26 0.54 -3.83 -1.94 -1.23 -4.99 119.30 108.05 1uew s MET 79 Ca -0.01 1.99 -0.20 0.00 -1.71 0.00 0.00 55.69 55.76 1uew s MET 79 Cb 0.01 -1.82 -0.05 0.00 2.01 0.00 0.00 34.83 34.97 1uew s MET 79 CO 0.07 -1.80 1.19 -1.25 -0.01 0.00 0.00 175.02 173.22 1uew s PRO 80 N -3.60 3.30 0.50 2.03 0.04 -1.26 -4.90 135.00 131.10 1uew s PRO 80 Ca 0.80 1.80 0.15 0.00 0.04 0.00 0.00 61.00 63.79 1uew s PRO 80 Cb -0.35 -2.11 1.18 0.00 0.04 0.00 0.00 34.50 33.26 1uew s PRO 80 CO 0.43 -0.94 2.12 1.25 0.04 0.00 0.00 177.00 179.90 1uew h HIS 81 N 1.33 0.07 -0.19 0.56 2.76 -1.94 -0.68 115.15 117.06 1uew h HIS 81 Ca -0.50 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 57.53 1uew h HIS 81 Cb 1.28 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.20 1uew h HIS 81 CO 0.49 0.07 -0.46 0.00 -1.30 0.00 0.00 177.93 176.74 1uew h ALA 82 N 1.94 0.86 -0.28 5.26 0.00 -1.99 -2.47 119.26 122.59 1uew h ALA 82 Ca 0.02 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1uew h ALA 82 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1uew h ALA 82 CO -0.00 0.65 -0.03 -0.44 0.00 0.00 0.00 179.25 179.43 1uew h ASP 83 N 0.38 0.51 -0.70 0.00 5.19 -1.50 -1.16 116.42 119.15 1uew h ASP 83 Ca 0.02 -0.34 -0.06 0.00 -0.62 0.00 0.00 57.03 56.04 1uew h ASP 83 Cb 0.95 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 40.29 1uew h ASP 83 CO 0.08 0.73 0.22 0.40 -3.12 0.00 0.00 179.24 177.55 1uew h ILE 84 N 0.28 1.26 0.03 0.35 2.04 -1.54 0.67 117.51 120.60 1uew h ILE 84 Ca 0.07 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 65.06 1uew h ILE 84 Cb 0.49 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1uew h ILE 84 CO 0.02 0.34 -0.07 0.58 0.00 0.00 0.00 178.15 179.03 1uew h VAL 85 N 1.03 0.84 -0.66 1.67 2.07 -1.29 -1.18 116.25 118.72 1uew h VAL 85 Ca 0.23 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.83 1uew h VAL 85 Cb 0.30 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 1uew h VAL 85 CO -0.01 0.00 0.32 0.50 0.02 0.00 0.00 177.57 178.40 1uew h LYS 86 N -0.13 0.54 -0.56 1.57 1.63 -0.78 -1.48 116.57 117.35 1uew h LYS 86 Ca 0.02 -0.03 0.09 0.00 -0.85 0.00 0.00 60.65 59.88 1uew h LYS 86 Cb 0.15 -0.12 -0.07 0.00 -0.60 0.00 0.00 32.23 31.58 1uew h LYS 86 CO -0.05 0.36 0.15 1.25 -3.45 0.00 0.00 179.45 177.71 1uew h LEU 87 N 0.55 0.09 -0.38 5.20 7.12 -0.54 0.26 115.31 127.61 1uew h LEU 87 Ca 0.32 0.09 -0.17 0.00 0.13 0.00 0.00 57.88 58.25 1uew h LEU 87 Cb 0.32 0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 40.55 1uew h LEU 87 CO -0.26 0.06 -0.42 0.40 -0.13 0.00 0.00 178.44 178.10 1uew h ILE 88 N 0.30 1.27 -0.77 4.05 2.04 -0.43 -0.36 117.51 123.62 1uew h ILE 88 Ca 0.28 -1.60 -0.05 0.00 1.00 0.00 0.00 64.86 64.50 1uew h ILE 88 Cb 0.38 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 1uew h ILE 88 CO -0.33 0.53 0.29 0.11 0.00 0.00 0.00 178.15 178.75 1uew h LYS 89 N 0.74 1.16 -0.17 2.37 1.57 -0.65 -2.17 116.57 119.42 1uew h LYS 89 Ca 0.05 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1uew h LYS 89 Cb 1.02 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1uew h LYS 89 CO 0.10 0.95 0.00 -3.47 -0.57 0.00 0.00 179.45 176.46 1uew n ASP 90 N -4.27 1.10 0.33 0.86 2.03 0.85 -4.32 116.55 113.12 1uew n ASP 90 Ca 0.07 -1.83 0.22 0.00 0.52 0.00 0.00 54.79 53.77 1uew n ASP 90 Cb 0.20 -0.11 1.14 0.00 -0.72 0.00 0.00 41.12 41.63 1uew n ASP 90 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1uew h ALA 91 N 3.59 1.02 -2.85 -1.67 0.00 -0.38 -3.47 119.26 115.51 1uew h ALA 91 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uew h ALA 91 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1uew h ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1uew n GLY 92 N -0.94 0.48 4.88 0.00 0.00 -1.26 -4.39 105.19 103.96 1uew n GLY 92 Ca -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.24 0.00 -4.88 0.99 4.77 -1.26 -4.82 117.00 110.55 1uew n LEU 93 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1uew n LEU 93 Cb 0.47 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 1uew n LEU 93 CO 0.00 0.00 0.11 -0.94 -1.33 0.00 0.00 177.39 175.23 1uew s SER 94 N 0.00 6.57 -0.04 -1.43 1.04 -1.26 -1.30 113.70 117.28 1uew s SER 94 Ca 0.00 0.75 0.02 0.00 0.48 0.00 0.00 55.95 57.20 1uew s SER 94 Cb 0.00 -2.16 0.01 0.00 0.10 0.00 0.00 66.02 63.97 1uew s SER 94 CO 0.00 0.03 -0.09 0.54 0.98 0.00 0.00 173.24 174.70 1uew s VAL 95 N -1.67 0.82 -0.42 5.02 0.11 -0.76 -4.60 120.40 118.90 1uew s VAL 95 Ca 0.42 -0.34 -0.09 0.00 -2.93 0.00 0.00 61.98 59.04 1uew s VAL 95 Cb -0.12 -0.76 0.08 0.00 -1.53 0.00 0.00 36.38 34.05 1uew s VAL 95 CO 0.22 0.27 0.26 -0.89 -3.33 0.00 0.00 175.10 171.63 1uew s THR 96 N 0.46 4.23 0.44 5.04 2.01 -1.26 -2.63 115.64 123.93 1uew s THR 96 Ca -0.08 -1.38 -0.03 0.00 0.31 0.00 0.00 61.69 60.51 1uew s THR 96 Cb -0.12 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 1uew s THR 96 CO 0.01 -0.50 0.70 -0.76 -0.69 0.00 0.00 174.62 173.38 1uew s LEU 97 N 1.43 3.73 -0.11 4.42 2.01 -0.08 -1.19 118.68 128.90 1uew s LEU 97 Ca 0.03 0.67 0.01 0.00 0.01 0.00 0.00 54.13 54.84 1uew s LEU 97 Cb -0.23 -3.57 -0.02 0.00 0.01 0.00 0.00 46.19 42.38 1uew s LEU 97 CO 0.02 -0.53 -0.13 -0.60 1.01 0.00 0.00 176.35 176.12 1uew s ARG 98 N -4.59 3.12 0.20 1.70 3.52 -0.31 -1.20 118.95 121.40 1uew s ARG 98 Ca 0.45 -0.67 0.06 0.00 -0.13 0.00 0.00 55.73 55.44 1uew s ARG 98 Cb -0.10 -2.57 -0.05 0.00 -1.56 0.00 0.00 34.95 30.67 1uew s ARG 98 CO 0.41 0.35 -0.11 0.96 -0.81 0.00 0.00 175.30 176.10 1uew s ILE 99 N -0.01 1.51 -0.24 4.11 -5.25 0.07 -2.23 121.20 119.16 1uew s ILE 99 Ca -0.03 -2.15 -0.08 0.00 -0.99 0.00 0.00 60.65 57.40 1uew s ILE 99 Cb -0.14 -2.07 -0.04 0.00 2.95 0.00 0.00 42.46 43.17 1uew s ILE 99 CO 0.04 -0.58 0.09 -0.63 -1.79 0.00 0.00 174.94 172.08 1uew s ILE 100 N -3.11 4.66 0.00 8.37 1.01 -1.23 -1.04 121.20 129.86 1uew s ILE 100 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.81 1uew s ILE 100 Cb 0.01 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.32 1uew s ILE 100 CO 0.06 0.35 0.00 -0.81 0.00 0.00 0.00 174.94 174.54 1uew n PRO 101 N 4.56 1.78 -3.84 2.79 -0.04 -1.26 -4.70 135.00 134.28 1uew n PRO 101 Ca -0.16 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.22 1uew n PRO 101 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.95 1uew n PRO 101 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1uew s GLN 102 N 0.93 1.61 0.00 0.54 0.00 -1.26 -5.04 119.66 116.44 1uew s GLN 102 Ca 0.00 -0.99 0.00 0.00 -0.00 0.00 0.00 55.36 54.37 1uew s GLN 102 Cb 0.00 0.56 0.00 0.00 0.00 0.00 0.00 33.01 33.57 1uew s GLN 102 CO 0.00 -0.71 0.00 -0.85 0.00 0.00 0.00 175.29 173.73 1uew n GLU 103 N -0.41 0.00 0.00 9.60 0.28 -1.26 -4.92 120.64 123.93 1uew n GLU 103 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 1uew n GLU 103 Cb 0.61 -0.24 0.00 0.00 1.43 0.00 0.00 31.44 33.24 1uew n GLU 103 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1uew n GLU 104 N 0.00 -0.12 -3.33 3.44 1.02 -1.26 -5.00 120.64 115.39 1uew n GLU 104 Ca 0.00 -0.14 -0.43 0.00 -0.02 0.00 0.00 57.16 56.57 1uew n GLU 104 Cb 0.14 -0.59 -0.08 0.00 -0.02 0.00 0.00 31.44 30.89 1uew n GLU 104 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1uew s LEU 105 N -0.02 4.99 0.04 -4.62 1.43 -1.26 -5.02 118.68 114.22 1uew s LEU 105 Ca 0.00 -0.80 -0.10 0.00 -1.03 0.00 0.00 54.13 52.20 1uew s LEU 105 Cb 0.00 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.88 1uew s LEU 105 CO 0.00 -0.60 0.20 0.21 0.23 0.00 0.00 176.35 176.39 1uew s ASN 106 N 1.97 0.03 -0.12 2.29 2.47 -1.26 -5.01 114.94 115.30 1uew s ASN 106 Ca 0.11 -0.37 -0.28 0.00 0.42 0.00 0.00 52.86 52.73 1uew s ASN 106 Cb -0.18 0.29 -0.01 0.00 -1.45 0.00 0.00 41.25 39.90 1uew s ASN 106 CO 0.12 -0.57 0.96 -0.44 -3.72 0.00 0.00 177.10 173.45 1uew s SER 107 N -2.13 7.17 -1.08 -4.21 0.01 -1.26 -4.99 113.70 107.21 1uew s SER 107 Ca -0.05 1.43 -0.22 0.00 1.31 0.00 0.00 55.95 58.43 1uew s SER 107 Cb -0.01 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.72 1uew s SER 107 CO -0.04 -0.44 1.65 -2.16 0.41 0.00 0.00 173.24 172.67 1uew s PRO 108 N 2.06 3.39 -0.11 12.44 0.04 -1.26 -4.89 135.00 146.66 1uew s PRO 108 Ca 0.46 -1.17 -0.02 0.00 0.04 0.00 0.00 61.00 60.31 1uew s PRO 108 Cb -0.18 -5.33 0.04 0.00 0.04 0.00 0.00 34.50 29.07 1uew s PRO 108 CO 0.16 -2.60 0.02 0.45 0.04 0.00 0.00 177.00 175.07 1uew s SER 109 N 5.52 1.96 0.25 6.66 0.15 -1.26 -5.14 113.70 121.84 1uew s SER 109 Ca 0.54 -0.31 -0.10 0.00 0.70 0.00 0.00 55.95 56.79 1uew s SER 109 Cb -0.00 -0.45 -0.01 0.00 -1.71 0.00 0.00 66.02 63.85 1uew s SER 109 CO -0.02 -0.24 0.42 -0.83 1.20 0.00 0.00 173.24 173.77 1uew s GLY 110 N 1.97 0.74 0.00 9.45 0.00 -1.26 -5.04 107.32 113.18 1uew s GLY 110 Ca 0.03 -1.05 0.31 0.00 0.00 0.00 0.00 44.72 44.01 1uew s GLY 110 CO -0.06 -0.78 2.09 -1.55 0.00 0.00 0.00 173.10 172.80 1uew n PRO 111 N -0.37 0.76 0.00 2.90 -0.04 -1.26 -4.86 135.00 132.13 1uew n PRO 111 Ca -0.01 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1uew n PRO 111 Cb 0.63 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1uew n PRO 111 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uew n SER 112 N -1.05 0.00 -4.57 3.54 2.88 -1.26 -5.05 113.62 108.11 1uew n SER 112 Ca 0.19 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.32 1uew n SER 112 Cb 0.20 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.63 1uew n SER 112 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uew s SER 113 N 0.00 5.62 0.00 -3.46 0.01 -1.26 -5.19 113.70 109.42 1uew s SER 113 Ca 0.00 0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.86 1uew s SER 113 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1uew s SER 113 CO 0.00 -2.05 0.00 0.61 0.41 0.00 0.00 173.24 172.21