#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwx s SER 2 N 0.00 -0.23 0.29 1.61 1.04 -1.26 -5.19 113.70 109.96 1wwx s SER 2 Ca 0.00 0.39 0.04 0.00 0.48 0.00 0.00 55.95 56.86 1wwx s SER 2 Cb 0.00 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 1wwx s SER 2 CO 0.00 -0.12 0.20 -0.55 0.98 0.00 0.00 173.24 173.76 1wwx s SER 3 N -0.24 1.21 0.00 7.02 0.15 -1.26 -5.10 113.70 115.48 1wwx s SER 3 Ca 0.05 -1.60 0.00 0.00 0.70 0.00 0.00 55.95 55.10 1wwx s SER 3 Cb -0.04 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1wwx s SER 3 CO -0.09 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.01 1wwx n GLY 4 N -0.51 0.10 3.66 9.45 0.00 -1.26 -5.01 105.19 111.62 1wwx n GLY 4 Ca 0.04 -1.47 -0.25 0.00 0.00 0.00 0.00 46.02 44.34 1wwx n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wwx n SER 5 N 0.00 -5.85 -4.02 1.61 2.88 -1.26 -5.00 113.62 101.98 1wwx n SER 5 Ca 0.00 -0.59 -0.15 0.00 -1.33 0.00 0.00 58.87 56.79 1wwx n SER 5 Cb 0.00 -4.80 -0.13 0.00 -0.75 0.00 0.00 64.21 58.53 1wwx n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wwx s SER 6 N -3.37 0.85 0.00 -3.46 0.15 -1.26 -5.00 113.70 101.61 1wwx s SER 6 Ca 0.57 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1wwx s SER 6 Cb -0.26 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 1wwx s SER 6 CO 0.75 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.77 1wwx n GLY 7 N 2.29 1.14 2.91 9.45 0.00 -1.26 -4.88 105.19 114.84 1wwx n GLY 7 Ca -0.17 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 1wwx n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wwx s SER 8 N -4.00 3.87 0.58 1.61 0.15 -1.26 -5.13 113.70 109.52 1wwx s SER 8 Ca 0.00 -1.26 -0.02 0.00 0.70 0.00 0.00 55.95 55.37 1wwx s SER 8 Cb 0.00 -1.14 0.03 0.00 -1.71 0.00 0.00 66.02 63.20 1wwx s SER 8 CO 0.00 -0.27 0.84 -0.55 1.20 0.00 0.00 173.24 174.46 1wwx s SER 9 N 1.41 5.24 -0.08 5.45 0.15 -1.26 -5.11 113.70 119.51 1wwx s SER 9 Ca -0.03 0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.85 1wwx s SER 9 Cb -0.19 -1.09 0.02 0.00 -1.71 0.00 0.00 66.02 63.05 1wwx s SER 9 CO -0.08 -1.21 -0.10 -1.00 1.20 0.00 0.00 173.24 172.05 1wwx s HIS 10 N -2.89 1.41 0.09 3.44 3.76 -1.26 -5.05 115.29 114.80 1wwx s HIS 10 Ca 0.57 -0.57 -0.29 0.00 -0.15 0.00 0.00 55.06 54.61 1wwx s HIS 10 Cb -0.10 -1.08 -0.13 0.00 1.11 0.00 0.00 32.58 32.37 1wwx s HIS 10 CO 0.41 -0.34 1.63 1.25 -0.85 0.00 0.00 174.74 176.84 1wwx h LEU 11 N 7.34 -0.76 -1.07 0.89 5.85 -1.99 -2.05 115.31 123.52 1wwx h LEU 11 Ca -0.31 0.06 0.42 0.00 0.84 0.00 0.00 57.88 58.89 1wwx h LEU 11 Cb 1.17 0.25 -0.17 0.00 0.37 0.00 0.00 40.66 42.28 1wwx h LEU 11 CO 0.46 -0.42 0.60 4.11 -0.34 0.00 0.00 178.44 182.85 1wwx h TRP 12 N -0.62 0.79 -0.16 1.25 5.08 -1.96 1.05 115.95 121.37 1wwx h TRP 12 Ca -0.02 0.04 -0.18 0.00 1.08 0.00 0.00 58.89 59.81 1wwx h TRP 12 Cb 0.56 -0.18 0.01 0.00 -3.00 0.00 0.00 29.16 26.54 1wwx h TRP 12 CO -0.17 -0.42 -0.59 0.93 -1.28 0.00 0.00 178.44 176.92 1wwx h GLU 13 N 0.03 0.68 0.69 0.12 5.08 -1.80 -2.25 114.58 117.14 1wwx h GLU 13 Ca 0.84 -0.52 -0.03 0.00 -1.00 0.00 0.00 59.36 58.66 1wwx h GLU 13 Cb 2.29 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 31.63 1wwx h GLU 13 CO -0.70 1.14 -0.45 0.35 -1.00 0.00 0.00 179.01 178.35 1wwx h PHE 14 N 0.37 -1.19 -0.80 4.33 3.57 0.17 0.32 116.94 123.70 1wwx h PHE 14 Ca -0.03 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.51 1wwx h PHE 14 Cb 1.22 0.43 -0.05 0.00 2.79 0.00 0.00 35.95 40.33 1wwx h PHE 14 CO 0.10 -0.66 0.50 -0.24 -2.23 0.00 0.00 178.31 175.77 1wwx h VAL 15 N -1.08 1.07 -0.77 1.41 3.04 -1.29 -2.00 116.25 116.62 1wwx h VAL 15 Ca -0.09 -0.32 -0.05 0.00 -1.01 0.00 0.00 66.70 65.23 1wwx h VAL 15 Cb 0.88 0.05 -0.03 0.00 -2.01 0.00 0.00 31.29 30.17 1wwx h VAL 15 CO 0.08 0.17 0.29 -0.09 -1.01 0.00 0.00 177.57 177.01 1wwx h ARG 16 N 0.94 1.16 -0.46 4.17 2.43 -1.18 -2.43 114.38 119.01 1wwx h ARG 16 Ca 0.34 -0.22 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1wwx h ARG 16 Cb 0.10 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1wwx h ARG 16 CO -0.15 0.96 0.30 0.22 -1.51 0.00 0.00 179.97 179.79 1wwx h ASP 17 N 1.13 0.48 -0.75 -3.80 3.58 0.36 -2.01 116.42 115.40 1wwx h ASP 17 Ca 0.25 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 1wwx h ASP 17 Cb 0.24 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.14 1wwx h ASP 17 CO -0.02 0.34 0.45 -0.07 -2.88 0.00 0.00 179.24 177.06 1wwx h LEU 18 N 0.56 0.91 -0.84 2.28 3.38 -1.02 0.12 115.31 120.70 1wwx h LEU 18 Ca 0.18 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1wwx h LEU 18 Cb 0.02 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1wwx h LEU 18 CO -0.04 0.71 0.45 -0.07 0.09 0.00 0.00 178.44 179.58 1wwx h LEU 19 N 1.03 1.07 0.00 1.67 3.38 -1.34 -1.58 115.31 119.54 1wwx h LEU 19 Ca 0.27 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1wwx h LEU 19 Cb -0.03 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.45 1wwx h LEU 19 CO -0.05 0.87 -0.07 0.18 0.09 0.00 0.00 178.44 179.46 1wwx n LEU 20 N -4.36 0.18 -3.89 1.67 4.77 -0.96 -4.31 117.00 110.09 1wwx n LEU 20 Ca 0.08 0.45 -0.28 0.00 -0.03 0.00 0.00 56.01 56.23 1wwx n LEU 20 Cb 0.10 -0.44 -0.12 0.00 -2.33 0.00 0.00 43.42 40.63 1wwx n LEU 20 CO 0.39 -0.01 -0.05 -0.44 -1.33 0.00 0.00 177.39 175.95 1wwx s SER 21 N -3.23 4.72 0.00 -1.43 0.01 0.37 -4.91 113.70 109.24 1wwx s SER 21 Ca 0.13 -3.80 0.15 0.00 1.31 0.00 0.00 55.95 53.73 1wwx s SER 21 Cb 0.18 -1.61 0.71 0.00 0.21 0.00 0.00 66.02 65.51 1wwx s SER 21 CO 0.56 -0.09 1.42 -0.81 0.41 0.00 0.00 173.24 174.73 1wwx n PRO 22 N 2.04 0.16 0.06 12.44 -0.04 -1.24 -1.80 135.00 146.62 1wwx n PRO 22 Ca 0.19 0.17 -0.04 0.00 -0.04 0.00 0.00 63.50 63.78 1wwx n PRO 22 Cb 0.35 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.23 1wwx n PRO 22 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1wwx h GLU 23 N 0.00 0.00 0.00 0.54 5.08 -1.90 -3.37 114.58 114.93 1wwx h GLU 23 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.97 1wwx h GLU 23 Cb 0.17 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 1wwx h GLU 23 CO 0.00 0.72 -2.47 0.39 -1.00 0.00 0.00 179.01 176.64 1wwx n GLU 24 N -3.22 0.65 -2.46 2.33 -0.58 -1.00 -4.94 120.64 111.43 1wwx n GLU 24 Ca -0.03 0.14 -0.42 0.00 -0.42 0.00 0.00 57.16 56.43 1wwx n GLU 24 Cb 0.90 -1.52 -0.03 0.00 -0.57 0.00 0.00 31.44 30.21 1wwx n GLU 24 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1wwx s ASN 25 N -6.48 7.15 -0.68 1.62 2.47 -0.74 -5.00 114.94 113.28 1wwx s ASN 25 Ca -0.34 2.04 0.02 0.00 0.42 0.00 0.00 52.86 55.00 1wwx s ASN 25 Cb 0.09 -2.59 0.17 0.00 -1.45 0.00 0.00 41.25 37.47 1wwx s ASN 25 CO 0.61 -0.38 0.48 0.00 -3.72 0.00 0.00 177.10 174.09 1wwx n GLY 27 N 2.66 -0.48 0.08 0.00 0.00 -1.26 -4.83 105.19 101.37 1wwx n GLY 27 Ca 0.14 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 1wwx n GLY 27 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wwx h ILE 28 N -1.03 1.02 -4.52 -0.61 2.04 -1.91 -3.36 117.51 109.14 1wwx h ILE 28 Ca -0.44 -2.82 -0.28 0.00 1.00 0.00 0.00 64.86 62.31 1wwx h ILE 28 Cb 1.30 2.53 -0.15 0.00 -0.74 0.00 0.00 36.82 39.76 1wwx h ILE 28 CO 0.56 0.63 -0.60 -0.76 0.00 0.00 0.00 178.15 177.98 1wwx s LEU 29 N -6.34 1.29 -0.00 1.44 1.43 -1.26 -0.59 118.68 114.64 1wwx s LEU 29 Ca -0.05 -1.44 -0.08 0.00 -1.03 0.00 0.00 54.13 51.53 1wwx s LEU 29 Cb 0.08 0.36 0.00 0.00 0.03 0.00 0.00 46.19 46.67 1wwx s LEU 29 CO 0.82 -0.86 0.16 -1.83 0.23 0.00 0.00 176.35 174.88 1wwx s GLU 30 N -4.05 0.50 -0.72 1.70 4.04 -0.32 -4.77 118.70 115.07 1wwx s GLU 30 Ca 0.39 -0.35 -0.21 0.00 0.04 0.00 0.00 54.97 54.84 1wwx s GLU 30 Cb 0.06 0.21 0.09 0.00 0.02 0.00 0.00 34.13 34.51 1wwx s GLU 30 CO 0.14 -0.12 0.98 -1.58 -1.84 0.00 0.00 175.26 172.84 1wwx s TRP 31 N -1.32 2.83 0.20 4.83 0.52 -1.26 -1.44 118.94 123.30 1wwx s TRP 31 Ca -0.14 -0.82 0.13 0.00 0.02 0.00 0.00 56.10 55.29 1wwx s TRP 31 Cb -0.07 -4.26 0.41 0.00 -1.15 0.00 0.00 33.47 28.40 1wwx s TRP 31 CO 0.02 -1.57 1.62 0.93 0.02 0.00 0.00 176.95 177.97 1wwx h GLU 32 N 9.33 0.00 -0.51 4.98 4.39 -1.53 -3.43 114.58 127.81 1wwx h GLU 32 Ca -0.17 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.70 1wwx h GLU 32 Cb 1.06 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.51 1wwx h GLU 32 CO 1.16 0.55 -0.06 -0.51 -1.16 0.00 0.00 179.01 178.99 1wwx s ASP 33 N -6.67 -0.78 0.18 1.42 1.01 -0.62 -4.92 116.67 106.29 1wwx s ASP 33 Ca -0.00 0.28 -0.08 0.00 0.71 0.00 0.00 52.55 53.45 1wwx s ASP 33 Cb 0.12 1.57 0.08 0.00 1.01 0.00 0.00 42.92 45.69 1wwx s ASP 33 CO 0.74 -0.14 1.60 -0.09 0.21 0.00 0.00 175.17 177.49 1wwx h ARG 34 N 7.76 0.96 0.43 8.23 9.65 -1.84 0.88 114.38 140.45 1wwx h ARG 34 Ca -0.11 -0.37 -0.02 0.00 -1.10 0.00 0.00 59.98 58.38 1wwx h ARG 34 Cb 1.17 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 1wwx h ARG 34 CO -0.00 1.04 -0.21 0.93 2.80 0.00 0.00 179.97 184.52 1wwx h GLU 35 N 0.85 -0.56 0.00 0.20 3.07 -1.96 -3.02 114.58 113.16 1wwx h GLU 35 Ca 0.13 0.04 -0.18 0.00 -0.50 0.00 0.00 59.36 58.85 1wwx h GLU 35 Cb 0.71 0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.72 1wwx h GLU 35 CO 0.05 -0.37 -0.84 1.96 -1.40 0.00 0.00 179.01 178.41 1wwx h GLN 36 N -0.58 0.03 0.00 2.33 4.20 -1.97 -3.48 115.11 115.63 1wwx h GLN 36 Ca -0.06 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1wwx h GLN 36 Cb 0.45 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1wwx h GLN 36 CO 0.09 0.84 0.00 0.41 -0.67 0.00 0.00 178.83 179.50 1wwx n GLY 37 N 0.86 1.33 3.84 3.46 0.00 0.28 -4.82 105.19 110.13 1wwx n GLY 37 Ca -0.01 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 1wwx n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wwx s ILE 38 N -2.00 4.92 0.03 -0.61 1.01 0.39 -2.39 121.20 122.55 1wwx s ILE 38 Ca 0.00 0.84 -0.10 0.00 0.00 0.00 0.00 60.65 61.39 1wwx s ILE 38 Cb 0.00 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.73 1wwx s ILE 38 CO 0.00 0.40 0.21 0.72 0.00 0.00 0.00 174.94 176.27 1wwx s PHE 39 N -1.28 0.03 0.11 3.97 -0.71 0.32 -1.29 117.98 119.12 1wwx s PHE 39 Ca 0.31 -0.21 0.09 0.00 -1.04 0.00 0.00 56.93 56.09 1wwx s PHE 39 Cb -0.16 -0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.60 1wwx s PHE 39 CO 0.17 -0.42 -0.20 0.50 -1.34 0.00 0.00 175.22 173.93 1wwx s ARG 40 N -2.38 1.73 -0.95 1.99 3.52 -0.52 -0.80 118.95 121.54 1wwx s ARG 40 Ca -0.06 -1.19 -0.15 0.00 -0.13 0.00 0.00 55.73 54.20 1wwx s ARG 40 Cb -0.02 -2.07 0.20 0.00 -1.56 0.00 0.00 34.95 31.50 1wwx s ARG 40 CO -0.03 0.48 1.01 0.08 -0.81 0.00 0.00 175.30 176.03 1wwx s VAL 41 N -1.09 5.35 0.22 7.11 1.01 -0.00 -1.18 120.40 131.82 1wwx s VAL 41 Ca 0.17 -2.39 -0.08 0.00 0.00 0.00 0.00 61.98 59.67 1wwx s VAL 41 Cb -0.10 -4.64 0.16 0.00 0.00 0.00 0.00 36.38 31.80 1wwx s VAL 41 CO 0.08 -1.27 1.76 0.58 0.00 0.00 0.00 175.10 176.26 1wwx h VAL 42 N 4.88 0.80 -3.50 2.92 2.07 -1.11 -3.32 116.25 118.99 1wwx h VAL 42 Ca 0.16 -0.17 -0.66 0.00 0.82 0.00 0.00 66.70 66.85 1wwx h VAL 42 Cb 0.99 0.25 -0.39 0.00 -1.52 0.00 0.00 31.29 30.61 1wwx h VAL 42 CO 0.96 0.09 -0.61 -0.54 0.02 0.00 0.00 177.57 177.49 1wwx s LYS 43 N -6.07 1.93 0.46 1.57 1.02 -0.41 -4.93 119.74 113.30 1wwx s LYS 43 Ca -0.13 -2.35 0.24 0.00 0.02 0.00 0.00 55.97 53.75 1wwx s LYS 43 Cb 0.18 -3.37 1.08 0.00 -0.52 0.00 0.00 37.83 35.20 1wwx s LYS 43 CO 0.75 -1.07 1.91 0.66 -0.92 0.00 0.00 175.35 176.69 1wwx h SER 44 N 6.99 0.00 0.31 2.83 4.64 -1.84 -0.58 113.55 125.89 1wwx h SER 44 Ca -0.06 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.95 1wwx h SER 44 Cb 0.95 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.06 1wwx h SER 44 CO 0.65 0.22 -1.33 1.05 -0.87 0.00 0.00 176.83 176.54 1wwx h GLU 45 N 0.00 0.50 -0.03 4.77 4.11 -1.94 -3.21 114.58 118.79 1wwx h GLU 45 Ca -0.00 -0.78 -0.22 0.00 0.07 0.00 0.00 59.36 58.43 1wwx h GLU 45 Cb 0.60 0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1wwx h GLU 45 CO 0.03 1.36 -0.90 0.00 0.07 0.00 0.00 179.01 179.57 1wwx h ALA 46 N 0.32 0.38 -0.09 1.06 0.00 -1.92 -2.25 119.26 116.76 1wwx h ALA 46 Ca -0.20 -0.68 0.03 0.00 0.00 0.00 0.00 54.91 54.06 1wwx h ALA 46 Cb 2.02 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.76 1wwx h ALA 46 CO 0.24 0.78 -0.09 1.25 0.00 0.00 0.00 179.25 181.44 1wwx h LEU 47 N 0.28 -0.28 -0.00 0.00 5.85 -1.21 -0.56 115.31 119.39 1wwx h LEU 47 Ca -0.07 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1wwx h LEU 47 Cb 1.53 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.70 1wwx h LEU 47 CO 0.16 -0.12 -0.00 0.00 -0.34 0.00 0.00 178.44 178.13 1wwx h ALA 48 N 0.95 0.01 -0.74 1.25 0.00 -1.63 -1.99 119.26 117.10 1wwx h ALA 48 Ca 0.07 -0.24 0.17 0.00 0.00 0.00 0.00 54.91 54.91 1wwx h ALA 48 Cb 0.21 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.88 1wwx h ALA 48 CO -0.16 -0.26 0.10 0.87 0.00 0.00 0.00 179.25 179.81 1wwx h LYS 49 N -0.46 0.18 -0.22 0.00 1.57 -1.29 0.25 116.57 116.61 1wwx h LYS 49 Ca 0.00 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1wwx h LYS 49 Cb 0.47 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1wwx h LYS 49 CO 0.00 0.12 -0.08 0.52 -0.57 0.00 0.00 179.45 179.44 1wwx h MET 50 N 0.18 0.44 -0.00 3.15 2.86 -1.11 -3.04 114.93 117.42 1wwx h MET 50 Ca 0.42 -0.18 0.03 0.00 -2.06 0.00 0.00 59.70 57.91 1wwx h MET 50 Cb 0.74 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.32 1wwx h MET 50 CO -0.58 0.70 -0.35 2.35 1.06 0.00 0.00 176.91 180.08 1wwx h TRP 51 N 0.16 -0.99 -1.00 -0.22 -0.00 -0.32 -1.61 115.95 111.97 1wwx h TRP 51 Ca 0.05 0.03 0.20 0.00 -0.00 0.00 0.00 58.89 59.18 1wwx h TRP 51 Cb 0.55 0.43 -0.11 0.00 -0.00 0.00 0.00 29.16 30.04 1wwx h TRP 51 CO 0.06 -0.44 0.61 0.78 -0.00 0.00 0.00 178.44 179.44 1wwx h GLY 52 N -0.51 1.80 0.65 2.65 0.00 -1.06 0.14 103.07 106.74 1wwx h GLY 52 Ca 0.06 -0.35 0.14 0.00 0.00 0.00 0.00 47.33 47.18 1wwx h GLY 52 CO -0.29 -0.10 0.53 1.46 0.00 0.00 0.00 176.54 178.14 1wwx h GLN 53 N 0.72 0.54 -0.17 4.80 1.08 -1.17 0.57 115.11 121.47 1wwx h GLN 53 Ca 0.59 -0.03 -0.15 0.00 -1.45 0.00 0.00 58.65 57.61 1wwx h GLN 53 Cb 0.98 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.28 1wwx h GLN 53 CO -0.40 0.36 -0.52 0.00 -0.95 0.00 0.00 178.83 177.32 1wwx h ARG 54 N 0.55 0.47 -0.28 1.46 2.47 -0.58 -2.86 114.38 115.62 1wwx h ARG 54 Ca 0.40 -0.28 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1wwx h ARG 54 Cb 0.75 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 1wwx h ARG 54 CO -0.15 0.88 0.00 1.63 0.56 0.00 0.00 179.97 182.88 1wwx n LYS 55 N -3.96 2.11 -4.14 0.04 4.76 0.01 -4.95 118.16 112.03 1wwx n LYS 55 Ca -0.03 -1.68 -0.29 0.00 -2.87 0.00 0.00 58.31 53.44 1wwx n LYS 55 Cb 0.58 -1.45 -0.06 0.00 -1.84 0.00 0.00 35.03 32.26 1wwx n LYS 55 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1wwx n LYS 56 N 0.90 -2.20 -0.09 1.97 5.02 0.18 -4.87 118.16 119.07 1wwx n LYS 56 Ca 0.17 0.26 -0.23 0.00 -2.02 0.00 0.00 58.31 56.49 1wwx n LYS 56 Cb 0.46 -4.15 -0.12 0.00 -0.02 0.00 0.00 35.03 31.20 1wwx n LYS 56 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1wwx n ASN 57 N -2.91 1.95 0.00 4.39 5.15 -0.98 -4.97 115.26 117.88 1wwx n ASN 57 Ca -0.29 0.30 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 1wwx n ASN 57 Cb 0.68 -0.85 0.00 0.00 -0.53 0.00 0.00 39.78 39.08 1wwx n ASN 57 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1wwx n ASP 58 N -4.07 0.00 -1.79 1.20 8.00 -1.26 -4.69 116.55 113.94 1wwx n ASP 58 Ca -0.40 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.09 1wwx n ASP 58 Cb 0.84 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 42.24 1wwx n ASP 58 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wwx n ARG 59 N 0.00 3.73 -2.57 -1.24 3.00 -1.26 -4.96 116.66 113.36 1wwx n ARG 59 Ca 0.00 -2.65 -0.37 0.00 -0.01 0.00 0.00 57.85 54.82 1wwx n ARG 59 Cb 0.00 -2.12 -0.04 0.00 0.00 0.00 0.00 32.46 30.30 1wwx n ARG 59 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 1wwx s MET 60 N -2.58 4.29 -0.26 5.56 1.75 -1.26 -4.99 119.30 121.81 1wwx s MET 60 Ca 0.47 1.52 -0.26 0.00 -1.25 0.00 0.00 55.69 56.18 1wwx s MET 60 Cb 0.37 -2.67 0.11 0.00 2.84 0.00 0.00 34.83 35.48 1wwx s MET 60 CO 0.12 -0.03 0.94 -0.08 -0.65 0.00 0.00 175.02 175.33 1wwx s THR 61 N -1.58 0.00 0.30 10.11 -1.32 -1.26 -4.66 115.64 117.22 1wwx s THR 61 Ca 0.55 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 61.15 1wwx s THR 61 Cb -0.23 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.09 1wwx s THR 61 CO 0.29 0.00 1.37 0.00 -2.21 0.00 0.00 174.62 174.07 1wwx n TYR 62 N 2.12 0.84 -0.21 9.09 9.36 -1.26 0.15 117.16 137.26 1wwx n TYR 62 Ca -0.13 1.04 0.01 0.00 3.32 0.00 0.00 57.90 62.14 1wwx n TYR 62 Cb 0.56 -1.33 0.12 0.00 -0.63 0.00 0.00 39.34 38.06 1wwx n TYR 62 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1wwx h GLU 63 N 0.00 0.27 0.14 2.98 4.81 -1.95 0.21 114.58 121.03 1wwx h GLU 63 Ca 0.66 -0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 59.65 1wwx h GLU 63 Cb 1.63 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.96 1wwx h GLU 63 CO -0.73 0.18 -1.06 0.87 -0.73 0.00 0.00 179.01 177.55 1wwx h LYS 64 N 0.28 0.29 -0.57 1.92 1.57 0.10 -3.35 116.57 116.81 1wwx h LYS 64 Ca 0.33 -0.50 0.11 0.00 -1.87 0.00 0.00 60.65 58.72 1wwx h LYS 64 Cb 0.49 0.18 -0.09 0.00 0.08 0.00 0.00 32.23 32.90 1wwx h LYS 64 CO -0.41 1.24 0.07 1.25 -0.57 0.00 0.00 179.45 181.03 1wwx h LEU 65 N -0.33 -0.11 -1.30 2.94 6.46 -0.25 -0.01 115.31 122.71 1wwx h LEU 65 Ca -0.21 0.12 0.38 0.00 -0.12 0.00 0.00 57.88 58.06 1wwx h LEU 65 Cb 1.71 0.19 -0.13 0.00 -0.73 0.00 0.00 40.66 41.70 1wwx h LEU 65 CO 0.12 -0.04 0.75 0.77 -0.62 0.00 0.00 178.44 179.42 1wwx h SER 66 N 0.19 0.33 -0.99 1.25 4.64 -0.73 0.29 113.55 118.53 1wwx h SER 66 Ca 0.29 0.14 0.34 0.00 -0.47 0.00 0.00 61.79 62.10 1wwx h SER 66 Cb 0.45 0.12 -0.16 0.00 -0.31 0.00 0.00 62.40 62.49 1wwx h SER 66 CO -0.42 -0.14 0.47 0.08 -0.87 0.00 0.00 176.83 175.95 1wwx h ARG 67 N 0.18 0.17 0.04 4.77 0.11 -1.16 0.86 114.38 119.35 1wwx h ARG 67 Ca 0.76 -0.01 -0.24 0.00 0.10 0.00 0.00 59.98 60.60 1wwx h ARG 67 Cb 2.19 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 33.24 1wwx h ARG 67 CO -0.45 0.11 -1.03 0.00 0.10 0.00 0.00 179.97 178.70 1wwx h ALA 68 N 1.90 0.31 -0.29 0.08 0.00 -0.58 -1.74 119.26 118.94 1wwx h ALA 68 Ca 0.74 -0.77 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1wwx h ALA 68 Cb 1.76 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 1wwx h ALA 68 CO -0.69 0.89 0.03 -0.07 0.00 0.00 0.00 179.25 179.41 1wwx h LEU 69 N 0.15 0.39 0.00 0.00 3.38 0.67 -0.68 115.31 119.22 1wwx h LEU 69 Ca -0.09 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 1wwx h LEU 69 Cb 1.69 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.32 1wwx h LEU 69 CO 0.17 0.43 -1.26 0.03 0.09 0.00 0.00 178.44 177.90 1wwx h ARG 70 N 0.41 0.00 0.00 1.13 2.47 -0.98 -3.32 114.38 114.09 1wwx h ARG 70 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1wwx h ARG 70 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 1wwx h ARG 70 CO 0.00 0.21 -0.05 0.98 0.56 0.00 0.00 179.97 181.67 1wwx n TYR 71 N -2.84 0.73 0.13 3.04 4.19 -0.66 -3.29 117.16 118.47 1wwx n TYR 71 Ca -0.06 0.21 0.00 0.00 3.31 0.00 0.00 57.90 61.36 1wwx n TYR 71 Cb 0.75 -0.84 0.10 0.00 0.49 0.00 0.00 39.34 39.85 1wwx n TYR 71 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 1wwx h TYR 72 N 0.00 0.00 0.00 2.98 0.05 -1.23 -3.09 116.97 115.67 1wwx h TYR 72 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1wwx h TYR 72 Cb 0.69 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.43 1wwx h TYR 72 CO 0.00 0.61 0.00 1.88 -1.05 0.00 0.00 178.16 179.60 1wwx h TYR 73 N 0.00 0.00 0.04 4.88 0.05 -1.73 0.28 116.97 120.49 1wwx h TYR 73 Ca -0.01 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.55 1wwx h TYR 73 Cb 1.30 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.02 1wwx h TYR 73 CO 0.00 0.00 -1.02 0.87 -1.05 0.00 0.00 178.16 176.96 1wwx h LYS 74 N 0.00 0.13 -0.01 4.88 1.57 -1.75 -3.27 116.57 118.12 1wwx h LYS 74 Ca 0.00 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1wwx h LYS 74 Cb 0.05 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1wwx h LYS 74 CO 0.00 1.03 -0.65 0.25 -0.57 0.00 0.00 179.45 179.51 1wwx n THR 75 N -3.50 0.00 0.00 -0.16 -2.24 -0.32 -4.96 114.28 103.10 1wwx n THR 75 Ca -0.03 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1wwx n THR 75 Cb 0.92 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 70.29 1wwx n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wwx n GLY 76 N 1.41 2.87 0.32 3.38 0.00 0.83 -4.69 105.19 109.30 1wwx n GLY 76 Ca 0.07 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.25 1wwx n GLY 76 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wwx n ILE 77 N -2.00 -0.39 -4.29 -0.61 2.08 -0.96 -3.37 119.36 109.83 1wwx n ILE 77 Ca 0.00 2.00 -0.24 0.00 0.56 0.00 0.00 62.75 65.08 1wwx n ILE 77 Cb 0.00 -2.98 -0.08 0.00 -0.75 0.00 0.00 39.64 35.83 1wwx n ILE 77 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1wwx s LEU 78 N -10.63 3.08 -0.22 1.39 1.43 -1.23 -0.08 118.68 112.43 1wwx s LEU 78 Ca -0.11 -0.82 -0.01 0.00 -1.03 0.00 0.00 54.13 52.16 1wwx s LEU 78 Cb 0.28 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.97 1wwx s LEU 78 CO 0.72 -0.13 -0.12 -1.61 0.23 0.00 0.00 176.35 175.44 1wwx s GLU 79 N -3.71 2.95 -0.06 1.70 0.41 0.22 -4.33 118.70 115.89 1wwx s GLU 79 Ca 0.34 -0.88 -0.38 0.00 -0.41 0.00 0.00 54.97 53.63 1wwx s GLU 79 Cb -0.03 -2.81 -0.17 0.00 -1.78 0.00 0.00 34.13 29.34 1wwx s GLU 79 CO 0.20 -0.30 1.46 -2.13 -0.49 0.00 0.00 175.26 174.00 1wwx n ARG 80 N 4.65 1.02 -5.13 1.61 0.63 -1.26 -4.06 116.66 114.12 1wwx n ARG 80 Ca -0.18 0.37 -0.31 0.00 -0.92 0.00 0.00 57.85 56.80 1wwx n ARG 80 Cb 0.49 -2.01 -0.15 0.00 0.45 0.00 0.00 32.46 31.23 1wwx n ARG 80 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1wwx s VAL 81 N 1.54 2.26 -0.47 5.15 1.01 -1.26 -5.00 120.40 123.63 1wwx s VAL 81 Ca 0.90 -1.12 0.03 0.00 0.00 0.00 0.00 61.98 61.80 1wwx s VAL 81 Cb -1.04 -1.83 0.58 0.00 0.00 0.00 0.00 36.38 34.10 1wwx s VAL 81 CO 0.55 0.52 1.84 0.47 0.00 0.00 0.00 175.10 178.49 1wwx n ASP 82 N 2.23 4.49 -2.77 3.32 8.00 -1.26 -4.96 116.55 125.60 1wwx n ASP 82 Ca -0.16 -3.69 -0.09 0.00 0.71 0.00 0.00 54.79 51.56 1wwx n ASP 82 Cb 0.51 -0.82 -0.02 0.00 -0.02 0.00 0.00 41.12 40.78 1wwx n ASP 82 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wwx n ARG 83 N -1.08 1.60 -3.63 -1.24 1.74 -1.26 -5.12 116.66 107.67 1wwx n ARG 83 Ca 0.56 -1.05 -0.38 0.00 -0.77 0.00 0.00 57.85 56.21 1wwx n ARG 83 Cb 1.31 0.26 -0.11 0.00 -1.02 0.00 0.00 32.46 32.89 1wwx n ARG 83 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1wwx s ARG 84 N -2.54 3.73 -1.33 5.56 6.06 -1.26 -4.40 118.95 124.78 1wwx s ARG 84 Ca 0.01 -0.45 0.00 0.00 -2.50 0.00 0.00 55.73 52.79 1wwx s ARG 84 Cb -0.00 -3.58 0.00 0.00 0.06 0.00 0.00 34.95 31.43 1wwx s ARG 84 CO 0.01 -0.25 0.00 1.28 -2.50 0.00 0.00 175.30 173.84 1wwx n LEU 85 N 5.02 -1.32 -4.13 -0.88 4.32 -1.26 -4.90 117.00 113.84 1wwx n LEU 85 Ca -0.14 0.18 -0.34 0.00 -0.02 0.00 0.00 56.01 55.68 1wwx n LEU 85 Cb 0.51 -2.34 -0.14 0.00 -1.62 0.00 0.00 43.42 39.83 1wwx n LEU 85 CO 0.33 -0.27 -0.34 -0.69 -1.22 0.00 0.00 177.39 175.19 1wwx s VAL 86 N -2.65 2.84 0.41 4.08 1.01 -1.26 -0.82 120.40 124.00 1wwx s VAL 86 Ca 0.00 -1.61 0.07 0.00 0.00 0.00 0.00 61.98 60.44 1wwx s VAL 86 Cb 0.00 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 1wwx s VAL 86 CO 0.00 -0.22 0.18 -0.31 0.00 0.00 0.00 175.10 174.75 1wwx s TYR 87 N 1.18 2.62 -0.17 5.22 1.51 0.02 -4.59 117.35 123.14 1wwx s TYR 87 Ca -0.02 -0.56 -0.12 0.00 -1.01 0.00 0.00 57.07 55.35 1wwx s TYR 87 Cb -0.20 -1.93 0.05 0.00 -0.11 0.00 0.00 41.96 39.76 1wwx s TYR 87 CO -0.03 0.19 0.42 0.21 -1.11 0.00 0.00 175.55 175.23 1wwx s LYS 88 N -3.91 0.45 0.06 -0.62 2.20 -1.26 -0.52 119.74 116.14 1wwx s LYS 88 Ca 0.41 0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 56.41 1wwx s LYS 88 Cb 0.03 0.11 -0.05 0.00 -1.51 0.00 0.00 37.83 36.41 1wwx s LYS 88 CO 0.23 -0.11 1.14 -0.06 -0.36 0.00 0.00 175.35 176.19 1wwx s PHE 89 N 0.80 3.51 0.00 4.03 0.08 -1.01 0.73 117.98 126.12 1wwx s PHE 89 Ca -0.05 1.43 0.00 0.00 0.12 0.00 0.00 56.93 58.43 1wwx s PHE 89 Cb -0.06 -3.33 0.00 0.00 -0.57 0.00 0.00 43.02 39.06 1wwx s PHE 89 CO -0.06 -0.91 0.00 0.41 -0.10 0.00 0.00 175.22 174.56 1wwx n GLY 90 N 2.99 -0.23 0.09 4.36 0.00 0.89 -4.73 105.19 108.58 1wwx n GLY 90 Ca 0.07 -1.46 -0.02 0.00 0.00 0.00 0.00 46.02 44.61 1wwx n GLY 90 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1wwx h LYS 91 N 0.00 0.00 -0.20 1.61 2.10 -1.83 -3.33 116.57 114.92 1wwx h LYS 91 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1wwx h LYS 91 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1wwx h LYS 91 CO 0.00 0.42 0.07 -0.91 -2.00 0.00 0.00 179.45 177.03 1wwx h ASN 92 N 0.00 0.25 -3.69 7.07 2.35 -1.84 -3.43 115.58 116.29 1wwx h ASN 92 Ca -0.16 -0.02 -0.43 0.00 -0.55 0.00 0.00 56.30 55.14 1wwx h ASN 92 Cb 1.68 -0.06 0.18 0.00 0.05 0.00 0.00 38.32 40.16 1wwx h ASN 92 CO 0.06 0.24 0.18 0.00 -1.65 0.00 0.00 177.43 176.26 1wwx s ALA 93 N -5.14 0.85 0.17 -0.83 0.00 -1.25 -4.89 121.76 110.67 1wwx s ALA 93 Ca -0.06 -0.76 -0.24 0.00 0.00 0.00 0.00 51.96 50.90 1wwx s ALA 93 Cb 0.17 -2.96 0.06 0.00 0.00 0.00 0.00 23.12 20.38 1wwx s ALA 93 CO 0.71 -3.23 0.83 -3.38 0.00 0.00 0.00 175.76 170.69 1wwx s HIS 94 N -3.06 -0.23 0.00 0.00 -3.43 -1.26 -4.98 115.29 102.32 1wwx s HIS 94 Ca 0.69 -0.08 0.00 0.00 -0.80 0.00 0.00 55.06 54.87 1wwx s HIS 94 Cb -0.13 0.64 0.00 0.00 -1.43 0.00 0.00 32.58 31.66 1wwx s HIS 94 CO 0.56 -0.92 0.00 0.41 -2.00 0.00 0.00 174.74 172.79 1wwx n GLY 95 N -0.42 3.08 0.14 -1.38 0.00 -1.26 -4.79 105.19 100.57 1wwx n GLY 95 Ca -0.07 -0.89 -0.23 0.00 0.00 0.00 0.00 46.02 44.83 1wwx n GLY 95 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1wwx h TRP 96 N 0.00 0.82 -3.63 1.61 5.08 -1.96 -3.47 115.95 114.40 1wwx h TRP 96 Ca 0.00 -0.60 -0.51 0.00 1.08 0.00 0.00 58.89 58.86 1wwx h TRP 96 Cb 0.00 -0.03 0.21 0.00 -3.00 0.00 0.00 29.16 26.34 1wwx h TRP 96 CO 0.00 1.61 -0.23 1.04 -1.28 0.00 0.00 178.44 179.58 1wwx n GLN 97 N -3.64 -0.76 -3.64 0.12 6.02 -1.26 -5.04 117.38 109.17 1wwx n GLN 97 Ca -0.21 -0.17 -0.09 0.00 -0.01 0.00 0.00 57.00 56.52 1wwx n GLN 97 Cb 1.09 -2.09 -0.07 0.00 1.02 0.00 0.00 30.24 30.18 1wwx n GLN 97 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1wwx s GLU 98 N -4.12 0.72 0.15 -1.09 2.56 -1.26 -5.12 118.70 110.54 1wwx s GLU 98 Ca 0.62 1.13 0.01 0.00 0.00 0.00 0.00 54.97 56.74 1wwx s GLU 98 Cb -0.22 0.21 -0.04 0.00 2.00 0.00 0.00 34.13 36.08 1wwx s GLU 98 CO 0.63 -0.13 0.01 0.34 -0.56 0.00 0.00 175.26 175.54 1wwx s ASP 99 N 1.25 0.99 0.39 -1.70 2.15 -1.26 -5.15 116.67 113.35 1wwx s ASP 99 Ca -0.07 -1.16 0.08 0.00 0.43 0.00 0.00 52.55 51.83 1wwx s ASP 99 Cb -0.05 0.16 -0.00 0.00 -0.30 0.00 0.00 42.92 42.72 1wwx s ASP 99 CO -0.13 -0.59 0.48 -0.54 -0.17 0.00 0.00 175.17 174.21 1wwx s LYS 100 N -3.94 2.85 0.08 4.34 1.02 -1.26 -5.06 119.74 117.78 1wwx s LYS 100 Ca 0.22 -1.24 -0.31 0.00 0.02 0.00 0.00 55.97 54.67 1wwx s LYS 100 Cb 0.06 -2.68 -0.08 0.00 -0.52 0.00 0.00 37.83 34.61 1wwx s LYS 100 CO 0.02 -0.13 1.58 -0.48 -0.92 0.00 0.00 175.35 175.42 1wwx s LEU 101 N -4.23 4.36 -0.43 3.17 0.05 -1.26 -3.84 118.68 116.50 1wwx s LEU 101 Ca 0.50 2.46 -0.25 0.00 0.05 0.00 0.00 54.13 56.88 1wwx s LEU 101 Cb -0.08 -3.57 0.04 0.00 -2.05 0.00 0.00 46.19 40.52 1wwx s LEU 101 CO 0.31 -0.83 0.60 -1.20 -0.55 0.00 0.00 176.35 174.68 1wwx n SER 102 N 5.09 -6.92 -4.21 1.48 7.64 -1.26 -4.96 113.62 110.48 1wwx n SER 102 Ca 0.15 0.27 -0.29 0.00 1.01 0.00 0.00 58.87 60.00 1wwx n SER 102 Cb 0.41 -3.77 0.23 0.00 -1.01 0.00 0.00 64.21 60.06 1wwx n SER 102 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wwx s GLY 103 N -2.08 1.54 0.30 0.23 0.00 -1.24 -4.94 107.32 101.13 1wwx s GLY 103 Ca 0.30 -0.58 0.09 0.00 0.00 0.00 0.00 44.72 44.52 1wwx s GLY 103 CO 0.80 0.19 1.70 -0.56 0.00 0.00 0.00 173.10 175.23 1wwx h PRO 104 N -2.47 0.12 0.00 2.90 0.13 -1.95 -3.43 132.00 127.30 1wwx h PRO 104 Ca -0.52 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1wwx h PRO 104 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1wwx h PRO 104 CO 0.45 0.57 0.00 0.43 -0.23 0.00 0.00 178.00 179.22 1wwx n SER 105 N -3.97 -0.12 -4.88 1.44 7.64 -1.26 -5.12 113.62 107.35 1wwx n SER 105 Ca -0.02 0.06 -0.30 0.00 1.01 0.00 0.00 58.87 59.62 1wwx n SER 105 Cb 0.51 0.24 -0.01 0.00 -1.01 0.00 0.00 64.21 63.94 1wwx n SER 105 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wwx s SER 106 N -4.26 6.39 0.00 6.43 0.15 -1.26 -5.21 113.70 115.93 1wwx s SER 106 Ca 0.00 1.24 0.00 0.00 0.70 0.00 0.00 55.95 57.89 1wwx s SER 106 Cb 0.00 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1wwx s SER 106 CO 0.00 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.43