#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 7.09 -0.31 1.61 0.01 -1.26 -4.96 113.70 115.88 1wwx s SER 2 Ca 0.00 -3.17 0.00 0.00 1.31 0.00 0.00 55.95 54.09 1wwx s SER 2 Cb 0.00 -2.24 0.10 0.00 0.21 0.00 0.00 66.02 64.09 1wwx s SER 2 CO 0.00 -0.46 0.09 -0.94 0.41 0.00 0.00 173.24 172.34 1wwx s SER 3 N 1.84 4.15 0.00 2.44 1.04 -1.26 -4.92 113.70 116.99 1wwx s SER 3 Ca 0.28 -1.72 0.00 0.00 0.48 0.00 0.00 55.95 54.99 1wwx s SER 3 Cb -0.09 -1.00 0.00 0.00 0.10 0.00 0.00 66.02 65.02 1wwx s SER 3 CO -0.08 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.35 1wwx n GLY 4 N 4.74 -2.29 3.50 7.32 0.00 -1.26 -5.14 105.19 112.06 1wwx n GLY 4 Ca -0.01 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.76 1wwx n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wwx s SER 5 N 0.54 -0.51 -0.31 1.61 0.15 -1.26 -5.14 113.70 108.79 1wwx s SER 5 Ca 0.00 0.74 0.05 0.00 0.70 0.00 0.00 55.95 57.44 1wwx s SER 5 Cb 0.00 1.44 0.20 0.00 -1.71 0.00 0.00 66.02 65.94 1wwx s SER 5 CO 0.00 -0.11 0.63 -0.55 1.20 0.00 0.00 173.24 174.41 1wwx s SER 6 N 1.95 -1.53 0.00 5.45 0.15 -1.26 -5.11 113.70 113.35 1wwx s SER 6 Ca -0.05 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1wwx s SER 6 Cb -0.05 1.96 0.00 0.00 -1.71 0.00 0.00 66.02 66.22 1wwx s SER 6 CO -0.16 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.63 1wwx n GLY 7 N 5.24 0.50 2.81 9.45 0.00 -1.26 -5.05 105.19 116.88 1wwx n GLY 7 Ca 0.06 -1.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.04 1wwx n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wwx n SER 8 N 0.00 -7.91 0.00 1.61 7.64 -1.26 -4.95 113.62 108.76 1wwx n SER 8 Ca 0.00 0.98 0.00 0.00 1.01 0.00 0.00 58.87 60.86 1wwx n SER 8 Cb 0.00 -5.16 0.00 0.00 -1.01 0.00 0.00 64.21 58.04 1wwx n SER 8 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wwx n SER 9 N 0.27 0.00 -4.82 6.43 2.88 -1.26 -5.04 113.62 112.08 1wwx n SER 9 Ca 0.05 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.22 1wwx n SER 9 Cb 0.23 0.14 -0.06 0.00 -0.75 0.00 0.00 64.21 63.77 1wwx n SER 9 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1wwx s HIS 10 N -1.80 3.58 0.06 0.66 3.76 -1.26 -4.93 115.29 115.36 1wwx s HIS 10 Ca 0.00 0.63 -0.12 0.00 -0.15 0.00 0.00 55.06 55.42 1wwx s HIS 10 Cb 0.00 -2.13 -0.03 0.00 1.11 0.00 0.00 32.58 31.54 1wwx s HIS 10 CO 0.00 0.57 1.02 -0.11 -0.85 0.00 0.00 174.74 175.37 1wwx n LEU 11 N 2.42 -0.42 -0.39 0.89 -0.00 -1.26 0.20 117.00 118.44 1wwx n LEU 11 Ca -0.17 1.11 0.31 0.00 -0.00 0.00 0.00 56.01 57.27 1wwx n LEU 11 Cb 0.53 -0.29 0.59 0.00 -0.00 0.00 0.00 43.42 44.25 1wwx n LEU 11 CO 0.35 -0.78 1.23 4.11 -0.00 0.00 0.00 177.39 182.30 1wwx h TRP 12 N 0.00 0.56 -0.02 1.96 5.08 -1.95 0.81 115.95 122.39 1wwx h TRP 12 Ca 0.06 0.02 -0.22 0.00 1.08 0.00 0.00 58.89 59.83 1wwx h TRP 12 Cb 0.16 -0.15 0.00 0.00 -3.00 0.00 0.00 29.16 26.18 1wwx h TRP 12 CO -0.79 -0.09 -0.91 0.93 -1.28 0.00 0.00 178.44 176.30 1wwx h GLU 13 N 0.21 0.47 0.47 0.12 5.08 0.19 -2.60 114.58 118.51 1wwx h GLU 13 Ca 0.72 -0.48 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1wwx h GLU 13 Cb 2.11 0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.49 1wwx h GLU 13 CO -0.35 1.12 -0.22 0.35 -1.00 0.00 0.00 179.01 178.91 1wwx h PHE 14 N 0.28 -0.58 -0.88 4.33 3.04 0.42 0.23 116.94 123.78 1wwx h PHE 14 Ca -0.08 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.89 1wwx h PHE 14 Cb 1.54 0.19 -0.05 0.00 2.56 0.00 0.00 35.95 40.19 1wwx h PHE 14 CO 0.06 -0.28 0.58 -0.24 -2.02 0.00 0.00 178.31 176.42 1wwx h VAL 15 N -0.82 1.16 0.27 1.41 3.04 -1.26 -2.30 116.25 117.74 1wwx h VAL 15 Ca -0.06 -0.38 -0.01 0.00 -1.01 0.00 0.00 66.70 65.23 1wwx h VAL 15 Cb 0.57 -0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.80 1wwx h VAL 15 CO 0.11 0.20 -0.13 -0.09 -1.01 0.00 0.00 177.57 176.65 1wwx h ARG 16 N 1.11 -0.35 -1.04 4.17 2.43 -1.37 -3.14 114.38 116.18 1wwx h ARG 16 Ca 0.35 0.02 0.28 0.00 -0.81 0.00 0.00 59.98 59.82 1wwx h ARG 16 Cb 0.01 0.08 -0.12 0.00 -0.42 0.00 0.00 29.97 29.52 1wwx h ARG 16 CO -0.10 -0.00 0.64 0.22 -1.51 0.00 0.00 179.97 179.21 1wwx h ASP 17 N -0.79 0.54 -0.97 -3.80 3.58 -0.36 0.39 116.42 115.00 1wwx h ASP 17 Ca -0.04 0.13 0.10 0.00 0.42 0.00 0.00 57.03 57.64 1wwx h ASP 17 Cb 0.51 0.05 -0.07 0.00 1.72 0.00 0.00 39.33 41.54 1wwx h ASP 17 CO 0.06 0.03 0.62 -0.07 -2.88 0.00 0.00 179.24 177.00 1wwx h LEU 18 N 0.43 0.93 -0.59 2.28 3.38 -1.37 0.53 115.31 120.90 1wwx h LEU 18 Ca 0.66 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.59 1wwx h LEU 18 Cb 1.51 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 1wwx h LEU 18 CO -0.44 0.54 0.12 -0.07 0.09 0.00 0.00 178.44 178.68 1wwx h LEU 19 N 1.02 0.91 0.00 1.67 3.38 -0.25 -2.53 115.31 119.52 1wwx h LEU 19 Ca 0.45 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1wwx h LEU 19 Cb 0.36 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1wwx h LEU 19 CO -0.21 0.93 -0.03 -0.07 0.09 0.00 0.00 178.44 179.15 1wwx h LEU 20 N 0.86 0.00 -7.25 1.67 3.38 -1.08 -3.38 115.31 109.51 1wwx h LEU 20 Ca 0.18 -0.01 -0.67 0.00 0.09 0.00 0.00 57.88 57.48 1wwx h LEU 20 Cb 0.39 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 40.76 1wwx h LEU 20 CO 0.01 0.00 -0.33 -0.44 0.09 0.00 0.00 178.44 177.77 1wwx s SER 21 N -4.82 5.39 0.00 -0.43 0.01 0.17 -4.89 113.70 109.13 1wwx s SER 21 Ca 0.10 -3.67 0.14 0.00 1.31 0.00 0.00 55.95 53.83 1wwx s SER 21 Cb 0.11 -1.78 0.61 0.00 0.21 0.00 0.00 66.02 65.17 1wwx s SER 21 CO 0.62 -0.16 1.45 -0.81 0.41 0.00 0.00 173.24 174.75 1wwx n PRO 22 N 2.31 0.01 0.07 12.44 -0.04 -1.25 -1.58 135.00 146.98 1wwx n PRO 22 Ca 0.19 0.25 -0.05 0.00 -0.04 0.00 0.00 63.50 63.84 1wwx n PRO 22 Cb 0.36 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.24 1wwx n PRO 22 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1wwx h GLU 23 N 0.00 0.00 0.00 0.54 4.81 -1.90 -3.36 114.58 114.67 1wwx h GLU 23 Ca 0.00 0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 58.84 1wwx h GLU 23 Cb 0.24 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.55 1wwx h GLU 23 CO 0.00 0.91 -2.46 0.39 -0.73 0.00 0.00 179.01 177.12 1wwx n GLU 24 N -3.36 0.66 -2.58 1.92 -0.58 -1.02 -4.93 120.64 110.75 1wwx n GLU 24 Ca 0.00 0.12 -0.42 0.00 -0.42 0.00 0.00 57.16 56.44 1wwx n GLU 24 Cb 0.89 -1.52 -0.03 0.00 -0.57 0.00 0.00 31.44 30.22 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 -6.34 7.21 -0.64 1.62 2.47 -0.61 -5.00 114.94 113.65 1wwx s ASN 25 Ca -0.31 1.77 0.01 0.00 0.42 0.00 0.00 52.86 54.75 1wwx s ASN 25 Cb 0.08 -2.57 0.16 0.00 -1.45 0.00 0.00 41.25 37.48 1wwx s ASN 25 CO 0.64 -0.41 0.43 0.00 -3.72 0.00 0.00 177.10 174.04 1wwx n GLY 27 N 2.91 -0.38 0.10 0.00 0.00 -1.26 -4.86 105.19 101.70 1wwx n GLY 27 Ca 0.11 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 46.17 1wwx n GLY 27 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wwx n ILE 28 N -4.46 1.49 -4.31 -0.61 5.41 -1.26 -4.16 119.36 111.47 1wwx n ILE 28 Ca -0.08 -0.80 -0.16 0.00 1.00 0.00 0.00 62.75 62.70 1wwx n ILE 28 Cb 0.57 -0.80 -0.10 0.00 -0.71 0.00 0.00 39.64 38.60 1wwx n ILE 28 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1wwx s LEU 29 N -5.86 1.58 0.01 1.39 1.43 -1.26 -1.04 118.68 114.92 1wwx s LEU 29 Ca -0.11 -1.40 0.01 0.00 -1.03 0.00 0.00 54.13 51.59 1wwx s LEU 29 Cb 0.07 0.08 -0.01 0.00 0.03 0.00 0.00 46.19 46.36 1wwx s LEU 29 CO 0.81 -0.76 -0.03 -1.61 0.23 0.00 0.00 176.35 174.98 1wwx s GLU 30 N -4.02 0.27 -0.84 1.70 0.41 -0.05 -4.75 118.70 111.41 1wwx s GLU 30 Ca 0.38 -0.24 -0.19 0.00 -0.41 0.00 0.00 54.97 54.50 1wwx s GLU 30 Cb 0.07 -0.18 0.13 0.00 -1.78 0.00 0.00 34.13 32.37 1wwx s GLU 30 CO 0.14 0.04 1.02 -1.58 -0.49 0.00 0.00 175.26 174.39 1wwx s TRP 31 N -0.40 3.09 0.21 1.61 0.23 -1.26 -0.88 118.94 121.53 1wwx s TRP 31 Ca -0.02 -1.26 0.07 0.00 -2.03 0.00 0.00 56.10 52.86 1wwx s TRP 31 Cb -0.03 -4.21 0.13 0.00 0.03 0.00 0.00 33.47 29.39 1wwx s TRP 31 CO -0.00 -1.45 1.48 0.93 0.96 0.00 0.00 176.95 178.87 1wwx h GLU 32 N 8.90 0.09 -0.88 4.98 4.39 -1.64 -3.43 114.58 126.99 1wwx h GLU 32 Ca 0.02 -0.09 0.09 0.00 0.34 0.00 0.00 59.36 59.73 1wwx h GLU 32 Cb 1.04 0.02 -0.21 0.00 -0.10 0.00 0.00 28.75 29.50 1wwx h GLU 32 CO 1.09 0.81 -0.25 -0.51 -1.16 0.00 0.00 179.01 178.98 1wwx s ASP 33 N -6.85 -1.32 0.13 1.42 1.01 -0.85 -4.94 116.67 105.27 1wwx s ASP 33 Ca -0.02 0.50 -0.13 0.00 0.71 0.00 0.00 52.55 53.62 1wwx s ASP 33 Cb 0.11 1.98 -0.04 0.00 1.01 0.00 0.00 42.92 45.98 1wwx s ASP 33 CO 0.80 -0.24 1.48 -0.09 0.21 0.00 0.00 175.17 177.33 1wwx h ARG 34 N 7.95 0.84 0.06 8.23 9.65 -1.84 0.79 114.38 140.06 1wwx h ARG 34 Ca -0.13 -0.40 -0.00 0.00 -1.10 0.00 0.00 59.98 58.35 1wwx h ARG 34 Cb 1.17 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 1wwx h ARG 34 CO 0.16 1.04 -0.03 0.93 2.80 0.00 0.00 179.97 184.87 1wwx h GLU 35 N 0.64 -0.08 -0.01 0.20 5.08 -1.97 -3.08 114.58 115.37 1wwx h GLU 35 Ca 0.07 0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.22 1wwx h GLU 35 Cb 0.83 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 1wwx h GLU 35 CO 0.07 0.02 -0.91 1.96 -1.00 0.00 0.00 179.01 179.16 1wwx h GLN 36 N -0.16 0.37 0.00 2.33 4.20 -1.98 -3.48 115.11 116.39 1wwx h GLN 36 Ca -0.01 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1wwx h GLN 36 Cb 0.14 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1wwx h GLN 36 CO 0.01 1.06 0.00 0.41 -0.67 0.00 0.00 178.83 179.65 1wwx n GLY 37 N 0.89 1.61 3.77 3.46 0.00 0.25 -4.79 105.19 110.39 1wwx n GLY 37 Ca -0.06 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 5.01 0.03 -0.61 1.01 0.22 -2.50 121.20 122.36 1wwx s ILE 38 Ca 0.00 1.04 0.01 0.00 0.00 0.00 0.00 60.65 61.71 1wwx s ILE 38 Cb 0.00 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 1wwx s ILE 38 CO 0.00 0.45 -0.05 0.72 0.00 0.00 0.00 174.94 176.05 1wwx s PHE 39 N -0.27 0.46 0.02 3.97 -0.71 0.41 -1.58 117.98 120.28 1wwx s PHE 39 Ca 0.27 -0.53 0.04 0.00 -1.04 0.00 0.00 56.93 55.67 1wwx s PHE 39 Cb -0.17 -0.30 -0.03 0.00 -1.21 0.00 0.00 43.02 41.31 1wwx s PHE 39 CO 0.14 -0.14 -0.08 0.50 -1.34 0.00 0.00 175.22 174.30 1wwx s ARG 40 N -1.59 2.48 -1.18 1.99 3.52 -0.06 -0.61 118.95 123.49 1wwx s ARG 40 Ca -0.12 -0.77 -0.14 0.00 -0.13 0.00 0.00 55.73 54.56 1wwx s ARG 40 Cb -0.09 -2.46 0.17 0.00 -1.56 0.00 0.00 34.95 31.00 1wwx s ARG 40 CO -0.01 0.59 1.41 0.08 -0.81 0.00 0.00 175.30 176.56 1wwx s VAL 41 N -1.02 4.99 0.15 7.11 1.01 -0.69 -0.87 120.40 131.07 1wwx s VAL 41 Ca 0.18 -2.52 -0.23 0.00 0.00 0.00 0.00 61.98 59.40 1wwx s VAL 41 Cb -0.11 -4.90 0.02 0.00 0.00 0.00 0.00 36.38 31.39 1wwx s VAL 41 CO 0.08 -1.62 1.62 0.58 0.00 0.00 0.00 175.10 175.77 1wwx h VAL 42 N 4.79 0.33 -3.51 2.92 2.07 -1.38 -3.32 116.25 118.15 1wwx h VAL 42 Ca 0.30 0.00 -0.68 0.00 0.82 0.00 0.00 66.70 67.14 1wwx h VAL 42 Cb 0.89 0.33 -0.36 0.00 -1.52 0.00 0.00 31.29 30.63 1wwx h VAL 42 CO 1.23 0.00 -0.46 -0.54 0.02 0.00 0.00 177.57 177.82 1wwx s LYS 43 N -6.04 2.30 0.42 1.57 1.02 -0.63 -4.93 119.74 113.45 1wwx s LYS 43 Ca -0.15 -2.38 0.14 0.00 0.02 0.00 0.00 55.97 53.60 1wwx s LYS 43 Cb 0.12 -3.60 0.91 0.00 -0.52 0.00 0.00 37.83 34.74 1wwx s LYS 43 CO 0.67 -1.13 1.94 0.66 -0.92 0.00 0.00 175.35 176.57 1wwx h SER 44 N 7.15 0.00 0.27 2.83 4.64 -1.85 -0.17 113.55 126.41 1wwx h SER 44 Ca -0.05 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.96 1wwx h SER 44 Cb 0.96 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.08 1wwx h SER 44 CO 0.70 0.25 -1.35 1.05 -0.87 0.00 0.00 176.83 176.60 1wwx h GLU 45 N 0.00 0.53 -0.25 4.77 4.11 -1.94 -3.16 114.58 118.65 1wwx h GLU 45 Ca -0.00 -0.82 -0.15 0.00 0.07 0.00 0.00 59.36 58.45 1wwx h GLU 45 Cb 0.44 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1wwx h GLU 45 CO 0.03 1.38 -0.46 0.00 0.07 0.00 0.00 179.01 180.04 1wwx h ALA 46 N 0.28 0.72 -0.30 1.06 0.00 -1.91 -1.52 119.26 117.59 1wwx h ALA 46 Ca -0.21 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 1wwx h ALA 46 Cb 2.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1wwx h ALA 46 CO 0.25 0.67 0.19 1.25 0.00 0.00 0.00 179.25 181.61 1wwx h LEU 47 N 0.52 0.36 -0.07 0.00 5.85 -1.12 -1.41 115.31 119.44 1wwx h LEU 47 Ca 0.03 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1wwx h LEU 47 Cb 1.00 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 1wwx h LEU 47 CO 0.09 0.29 -0.06 0.00 -0.34 0.00 0.00 178.44 178.42 1wwx h ALA 48 N 1.08 0.10 -0.62 1.25 0.00 -1.53 -1.35 119.26 118.19 1wwx h ALA 48 Ca 0.11 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 54.88 1wwx h ALA 48 Cb -0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.66 1wwx h ALA 48 CO -0.02 -0.11 0.10 -0.22 0.00 0.00 0.00 179.25 179.00 1wwx h LYS 49 N -0.25 0.21 -0.29 0.00 3.64 -1.19 0.20 116.57 118.89 1wwx h LYS 49 Ca 0.01 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1wwx h LYS 49 Cb 0.54 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1wwx h LYS 49 CO 0.01 0.14 -0.21 0.52 -2.27 0.00 0.00 179.45 177.64 1wwx h MET 50 N 0.22 0.66 -0.21 1.90 2.86 -1.26 -3.15 114.93 115.94 1wwx h MET 50 Ca 0.33 -0.32 0.03 0.00 -2.06 0.00 0.00 59.70 57.69 1wwx h MET 50 Cb 0.52 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 1wwx h MET 50 CO -0.46 0.92 0.02 2.35 1.06 0.00 0.00 176.91 180.80 1wwx h TRP 51 N 0.40 0.02 -0.55 -0.22 -0.00 -0.14 -2.69 115.95 112.78 1wwx h TRP 51 Ca 0.06 0.01 0.11 0.00 -0.00 0.00 0.00 58.89 59.07 1wwx h TRP 51 Cb 0.76 0.02 -0.10 0.00 -0.00 0.00 0.00 29.16 29.84 1wwx h TRP 51 CO 0.07 -0.01 -0.05 0.78 -0.00 0.00 0.00 178.44 179.22 1wwx h GLY 52 N 0.09 0.50 -0.02 2.65 0.00 -0.66 0.78 103.07 106.42 1wwx h GLY 52 Ca 0.10 0.11 0.25 0.00 0.00 0.00 0.00 47.33 47.79 1wwx h GLY 52 CO -0.15 -0.18 0.66 1.46 0.00 0.00 0.00 176.54 178.32 1wwx h GLN 53 N 0.07 0.37 -0.18 4.80 4.20 -1.44 0.89 115.11 123.82 1wwx h GLN 53 Ca 0.28 -0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.83 1wwx h GLN 53 Cb 0.43 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1wwx h GLN 53 CO -0.50 0.25 -0.45 0.00 -0.67 0.00 0.00 178.83 177.45 1wwx h ARG 54 N 0.38 0.45 -0.58 1.46 2.47 -0.80 -2.91 114.38 114.85 1wwx h ARG 54 Ca 0.56 -0.24 0.00 0.00 -1.26 0.00 0.00 59.98 59.04 1wwx h ARG 54 Cb 1.44 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.77 1wwx h ARG 54 CO -0.25 0.81 0.00 1.63 0.56 0.00 0.00 179.97 182.73 1wwx n LYS 55 N -4.00 3.50 -2.73 0.04 4.76 0.13 -4.93 118.16 114.94 1wwx n LYS 55 Ca -0.02 -2.78 -0.16 0.00 -2.87 0.00 0.00 58.31 52.48 1wwx n LYS 55 Cb 0.53 -1.80 -0.00 0.00 -1.84 0.00 0.00 35.03 31.92 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 0.92 -2.75 -3.22 1.97 4.76 0.26 -4.88 118.16 115.23 1wwx n LYS 56 Ca 0.24 0.60 -0.45 0.00 -2.87 0.00 0.00 58.31 55.83 1wwx n LYS 56 Cb 0.82 -5.25 -0.00 0.00 -1.84 0.00 0.00 35.03 28.75 1wwx n LYS 56 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1wwx s ASN 57 N -2.27 7.17 0.63 4.39 3.84 0.14 -4.85 114.94 124.00 1wwx s ASN 57 Ca 0.13 -3.28 0.27 0.00 0.21 0.00 0.00 52.86 50.18 1wwx s ASN 57 Cb -0.07 -2.27 1.39 0.00 -0.55 0.00 0.00 41.25 39.76 1wwx s ASN 57 CO 0.16 -0.47 1.80 -0.78 -2.79 0.00 0.00 177.10 175.02 1wwx h ASP 58 N 7.00 0.00 -0.94 -4.21 1.82 -1.90 0.25 116.42 118.45 1wwx h ASP 58 Ca 0.21 0.00 -0.65 0.00 -0.39 0.00 0.00 57.03 56.20 1wwx h ASP 58 Cb 0.90 0.00 -0.33 0.00 0.68 0.00 0.00 39.33 40.58 1wwx h ASP 58 CO 1.05 0.00 0.45 -2.11 -1.61 0.00 0.00 179.24 177.02 1wwx n ARG 59 N -3.21 2.93 -3.11 0.28 1.85 -1.26 -4.99 116.66 109.14 1wwx n ARG 59 Ca 0.04 -3.52 -0.39 0.00 -1.00 0.00 0.00 57.85 52.98 1wwx n ARG 59 Cb 0.61 -2.29 -0.05 0.00 -1.05 0.00 0.00 32.46 29.68 1wwx n ARG 59 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 177.63 179.03 1wwx s MET 60 N -3.77 4.40 -0.01 2.89 1.75 0.89 -4.98 119.30 120.47 1wwx s MET 60 Ca 0.61 0.80 -0.18 0.00 -1.25 0.00 0.00 55.69 55.68 1wwx s MET 60 Cb 0.48 -3.42 0.03 0.00 2.84 0.00 0.00 34.83 34.77 1wwx s MET 60 CO 0.00 0.16 0.38 -0.08 -0.65 0.00 0.00 175.02 174.83 1wwx s THR 61 N 0.50 0.05 0.39 10.11 -1.32 -1.26 -4.38 115.64 119.73 1wwx s THR 61 Ca 0.35 -0.41 0.23 0.00 -1.21 0.00 0.00 61.69 60.64 1wwx s THR 61 Cb -0.18 -0.73 0.40 0.00 -1.51 0.00 0.00 72.50 70.49 1wwx s THR 61 CO 0.17 -0.23 1.62 0.22 -2.21 0.00 0.00 174.62 174.20 1wwx h TYR 62 N 3.61 0.73 -0.92 9.09 3.20 -1.90 0.99 116.97 131.77 1wwx h TYR 62 Ca -0.29 0.03 0.12 0.00 3.14 0.00 0.00 58.73 61.73 1wwx h TYR 62 Cb 1.17 -0.18 -0.08 0.00 1.54 0.00 0.00 36.73 39.18 1wwx h TYR 62 CO 0.49 -0.28 0.55 0.93 -1.64 0.00 0.00 178.16 178.21 1wwx h GLU 63 N 0.13 0.84 0.14 1.82 5.08 -1.95 0.13 114.58 120.77 1wwx h GLU 63 Ca 0.80 -0.05 -0.33 0.00 -1.00 0.00 0.00 59.36 58.78 1wwx h GLU 63 Cb 2.21 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 31.27 1wwx h GLU 63 CO -0.58 0.55 -1.74 0.87 -1.00 0.00 0.00 179.01 177.12 1wwx h LYS 64 N 0.86 0.29 -0.89 2.33 1.57 0.45 -3.37 116.57 117.82 1wwx h LYS 64 Ca 0.46 -0.49 0.11 0.00 -1.87 0.00 0.00 60.65 58.86 1wwx h LYS 64 Cb 0.49 0.18 -0.08 0.00 0.08 0.00 0.00 32.23 32.91 1wwx h LYS 64 CO -0.28 1.24 0.52 1.25 -0.57 0.00 0.00 179.45 181.61 1wwx h LEU 65 N -0.07 0.75 -1.86 2.94 6.46 -0.34 0.13 115.31 123.33 1wwx h LEU 65 Ca -0.37 0.05 0.15 0.00 -0.12 0.00 0.00 57.88 57.59 1wwx h LEU 65 Cb 1.95 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 41.75 1wwx h LEU 65 CO 0.09 0.41 0.41 0.77 -0.62 0.00 0.00 178.44 179.51 1wwx h SER 66 N 0.85 0.14 -1.08 1.25 4.64 -0.89 -1.40 113.55 117.06 1wwx h SER 66 Ca 0.43 0.01 0.33 0.00 -0.47 0.00 0.00 61.79 62.09 1wwx h SER 66 Cb 0.42 -0.02 -0.13 0.00 -0.31 0.00 0.00 62.40 62.36 1wwx h SER 66 CO -0.26 0.07 0.65 0.08 -0.87 0.00 0.00 176.83 176.50 1wwx h ARG 67 N 0.15 0.29 0.09 4.77 0.11 -1.13 0.65 114.38 119.30 1wwx h ARG 67 Ca 0.28 -0.02 -0.25 0.00 0.10 0.00 0.00 59.98 60.09 1wwx h ARG 67 Cb 0.91 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 31.93 1wwx h ARG 67 CO -0.04 0.19 -1.14 0.00 0.10 0.00 0.00 179.97 179.08 1wwx h ALA 68 N 1.75 0.20 -0.63 0.08 0.00 -1.41 -2.44 119.26 116.81 1wwx h ALA 68 Ca 0.72 -0.86 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1wwx h ALA 68 Cb 1.82 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 1wwx h ALA 68 CO -0.50 1.00 0.36 -0.07 0.00 0.00 0.00 179.25 180.04 1wwx h LEU 69 N 0.08 0.77 -0.03 0.00 3.38 0.21 0.23 115.31 119.95 1wwx h LEU 69 Ca -0.10 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 1wwx h LEU 69 Cb 1.86 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 1wwx h LEU 69 CO 0.18 0.62 -0.41 0.03 0.09 0.00 0.00 178.44 178.95 1wwx h ARG 70 N 0.85 0.00 -0.00 1.13 2.47 -1.20 -3.13 114.38 114.50 1wwx h ARG 70 Ca 0.22 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.94 1wwx h ARG 70 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1wwx h ARG 70 CO -0.04 0.41 -0.16 0.98 0.56 0.00 0.00 179.97 181.72 1wwx n TYR 71 N -3.21 0.00 0.38 3.04 4.19 -0.92 -3.35 117.16 117.29 1wwx n TYR 71 Ca 0.02 0.00 0.12 0.00 3.31 0.00 0.00 57.90 61.35 1wwx n TYR 71 Cb 0.69 -0.31 0.17 0.00 0.49 0.00 0.00 39.34 40.38 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 0.22 0.00 0.00 2.98 0.05 -0.90 -3.25 116.97 116.07 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 0.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.18 1wwx h TYR 72 CO 0.00 0.00 0.00 0.66 -1.05 0.00 0.00 178.16 177.77 1wwx n TYR 73 N -2.51 0.22 0.02 4.88 4.01 -1.21 -0.95 117.16 121.62 1wwx n TYR 73 Ca 0.03 0.07 -0.18 0.00 -0.16 0.00 0.00 57.90 57.66 1wwx n TYR 73 Cb 0.49 -0.61 -0.12 0.00 -0.31 0.00 0.00 39.34 38.78 1wwx n TYR 73 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1wwx h LYS 74 N 0.00 0.40 0.00 -0.72 1.57 -1.76 -3.34 116.57 112.72 1wwx h LYS 74 Ca 0.00 -0.49 -0.28 0.00 -1.87 0.00 0.00 60.65 58.01 1wwx h LYS 74 Cb 0.49 0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.90 1wwx h LYS 74 CO 0.00 1.16 -1.62 1.79 -0.57 0.00 0.00 179.45 180.21 1wwx h THR 75 N -0.14 0.96 0.00 -0.16 1.35 -1.74 -3.48 112.91 109.70 1wwx h THR 75 Ca -0.10 -2.79 0.00 0.00 -0.55 0.00 0.00 66.41 62.97 1wwx h THR 75 Cb 1.44 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 70.34 1wwx h THR 75 CO 0.14 0.56 0.00 0.61 -0.25 0.00 0.00 175.52 176.58 1wwx n GLY 76 N 1.54 1.13 0.22 5.82 0.00 -0.56 -4.87 105.19 108.47 1wwx n GLY 76 Ca -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 1wwx n GLY 76 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wwx h ILE 77 N 0.00 0.50 -1.94 -0.61 1.08 -1.38 -3.26 117.51 111.90 1wwx h ILE 77 Ca 0.00 -0.03 -0.55 0.00 -0.39 0.00 0.00 64.86 63.89 1wwx h ILE 77 Cb 0.00 0.41 -0.08 0.00 -3.07 0.00 0.00 36.82 34.08 1wwx h ILE 77 CO 0.00 0.02 -0.56 -0.76 -0.69 0.00 0.00 178.15 176.16 1wwx s LEU 78 N -10.69 3.26 -0.25 1.44 1.43 -1.04 -0.17 118.68 112.67 1wwx s LEU 78 Ca -0.14 -0.75 0.03 0.00 -1.03 0.00 0.00 54.13 52.24 1wwx s LEU 78 Cb 0.18 -1.74 0.05 0.00 0.03 0.00 0.00 46.19 44.72 1wwx s LEU 78 CO 0.73 -0.25 -0.12 -1.61 0.23 0.00 0.00 176.35 175.33 1wwx s GLU 79 N -3.82 2.33 -0.41 1.70 2.02 0.40 -4.35 118.70 116.57 1wwx s GLU 79 Ca 0.37 -1.25 -0.41 0.00 0.02 0.00 0.00 54.97 53.70 1wwx s GLU 79 Cb -0.03 -2.82 -0.16 0.00 0.10 0.00 0.00 34.13 31.22 1wwx s GLU 79 CO 0.22 -0.51 2.01 -2.13 0.02 0.00 0.00 175.26 174.87 1wwx n ARG 80 N 4.47 0.58 -4.05 1.61 0.63 -1.26 -4.20 116.66 114.44 1wwx n ARG 80 Ca -0.15 0.18 -0.33 0.00 -0.92 0.00 0.00 57.85 56.63 1wwx n ARG 80 Cb 0.43 -1.92 -0.06 0.00 0.45 0.00 0.00 32.46 31.35 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 5.53 4.94 -0.58 5.15 1.01 -1.26 -5.01 120.40 130.17 1wwx s VAL 81 Ca 1.10 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.79 1wwx s VAL 81 Cb -1.21 -3.26 0.48 0.00 0.00 0.00 0.00 36.38 32.39 1wwx s VAL 81 CO 0.63 0.37 1.90 0.47 0.00 0.00 0.00 175.10 178.47 1wwx n ASP 82 N 1.21 6.73 -3.94 3.32 9.92 -1.26 -4.96 116.55 127.57 1wwx n ASP 82 Ca -0.13 -3.76 -0.23 0.00 -0.53 0.00 0.00 54.79 50.14 1wwx n ASP 82 Cb 0.53 -0.87 -0.04 0.00 -0.64 0.00 0.00 41.12 40.09 1wwx n ASP 82 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1wwx n ARG 83 N -0.93 1.09 -3.37 -1.24 3.00 -1.26 -5.11 116.66 108.83 1wwx n ARG 83 Ca 0.59 -2.63 -0.40 0.00 -0.01 0.00 0.00 57.85 55.40 1wwx n ARG 83 Cb 0.83 0.65 -0.09 0.00 0.00 0.00 0.00 32.46 33.85 1wwx n ARG 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1wwx s ARG 84 N -3.36 3.88 -1.70 5.56 3.52 -1.26 -4.36 118.95 121.23 1wwx s ARG 84 Ca 0.03 -0.07 -0.18 0.00 -0.13 0.00 0.00 55.73 55.39 1wwx s ARG 84 Cb -0.00 -3.70 0.15 0.00 -1.56 0.00 0.00 34.95 29.84 1wwx s ARG 84 CO 0.02 -0.37 0.73 1.28 -0.81 0.00 0.00 175.30 176.15 1wwx n LEU 85 N 5.40 -1.62 -3.82 -0.88 7.99 -1.26 -4.92 117.00 117.88 1wwx n LEU 85 Ca -0.08 -1.05 -0.28 0.00 -0.01 0.00 0.00 56.01 54.59 1wwx n LEU 85 Cb 0.50 -2.03 -0.16 0.00 -0.11 0.00 0.00 43.42 41.62 1wwx n LEU 85 CO 0.39 0.28 -0.39 -0.69 -1.51 0.00 0.00 177.39 175.47 1wwx s VAL 86 N -3.35 0.92 0.45 4.08 1.01 -1.26 -1.71 120.40 120.53 1wwx s VAL 86 Ca 0.69 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.97 1wwx s VAL 86 Cb -0.38 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1wwx s VAL 86 CO 0.94 -0.13 0.37 -0.31 0.00 0.00 0.00 175.10 175.97 1wwx s TYR 87 N 1.68 2.42 -0.16 5.22 1.51 0.21 -4.56 117.35 123.67 1wwx s TYR 87 Ca -0.02 -0.59 -0.14 0.00 -1.01 0.00 0.00 57.07 55.31 1wwx s TYR 87 Cb -0.17 -2.09 0.05 0.00 -0.11 0.00 0.00 41.96 39.63 1wwx s TYR 87 CO -0.07 -0.19 0.43 0.21 -1.11 0.00 0.00 175.55 174.82 1wwx s LYS 88 N -4.15 0.48 0.09 -0.62 2.20 -1.26 -0.44 119.74 116.03 1wwx s LYS 88 Ca 0.45 0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 56.41 1wwx s LYS 88 Cb -0.02 0.18 -0.06 0.00 -1.51 0.00 0.00 37.83 36.42 1wwx s LYS 88 CO 0.26 -0.09 1.05 -0.06 -0.36 0.00 0.00 175.35 176.16 1wwx s PHE 89 N 0.53 3.64 0.00 4.03 0.08 -1.04 -0.46 117.98 124.77 1wwx s PHE 89 Ca -0.02 1.62 0.00 0.00 0.12 0.00 0.00 56.93 58.65 1wwx s PHE 89 Cb -0.04 -3.20 0.00 0.00 -0.57 0.00 0.00 43.02 39.21 1wwx s PHE 89 CO -0.03 -0.35 0.00 0.41 -0.10 0.00 0.00 175.22 175.15 1wwx n GLY 90 N 2.55 0.77 0.08 4.36 0.00 0.76 -4.74 105.19 108.96 1wwx n GLY 90 Ca 0.05 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1wwx n GLY 90 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wwx n LYS 91 N 0.00 0.65 -0.20 1.61 2.85 -1.24 -4.22 118.16 117.61 1wwx n LYS 91 Ca 0.00 0.05 0.03 0.00 -1.05 0.00 0.00 58.31 57.33 1wwx n LYS 91 Cb 0.00 -1.65 0.28 0.00 -0.65 0.00 0.00 35.03 33.01 1wwx n LYS 91 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 1wwx h ASN 92 N 0.00 0.79 -3.62 -5.58 -0.26 -1.82 -3.43 115.58 101.66 1wwx h ASN 92 Ca -0.22 -0.01 -0.42 0.00 -0.56 0.00 0.00 56.30 55.08 1wwx h ASN 92 Cb 1.60 -0.19 0.18 0.00 -1.06 0.00 0.00 38.32 38.85 1wwx h ASN 92 CO 0.03 0.55 0.19 0.00 -1.06 0.00 0.00 177.43 177.14 1wwx s ALA 93 N -5.79 0.94 0.31 -0.83 0.00 -1.26 -4.90 121.76 110.23 1wwx s ALA 93 Ca -0.10 -0.97 -0.18 0.00 0.00 0.00 0.00 51.96 50.70 1wwx s ALA 93 Cb 0.18 -2.87 0.06 0.00 0.00 0.00 0.00 23.12 20.49 1wwx s ALA 93 CO 0.78 -3.33 0.86 -3.38 0.00 0.00 0.00 175.76 170.68 1wwx s HIS 94 N -3.18 0.07 0.00 0.00 -3.43 -1.26 -4.96 115.29 102.53 1wwx s HIS 94 Ca 0.71 -0.64 0.00 0.00 -0.80 0.00 0.00 55.06 54.33 1wwx s HIS 94 Cb -0.09 0.78 0.00 0.00 -1.43 0.00 0.00 32.58 31.85 1wwx s HIS 94 CO 0.55 -1.34 0.00 0.41 -2.00 0.00 0.00 174.74 172.37 1wwx n GLY 95 N -0.57 2.19 0.13 -1.38 0.00 -1.26 -4.68 105.19 99.62 1wwx n GLY 95 Ca -0.06 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 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 0.67 -3.41 1.61 5.08 -1.99 -3.47 115.95 114.45 1wwx h TRP 96 Ca 0.00 -0.49 -0.55 0.00 1.08 0.00 0.00 58.89 58.93 1wwx h TRP 96 Cb 0.00 -0.03 0.19 0.00 -3.00 0.00 0.00 29.16 26.33 1wwx h TRP 96 CO 0.00 1.54 -0.31 1.04 -1.28 0.00 0.00 178.44 179.42 1wwx n GLN 97 N -3.84 0.19 -4.47 0.12 6.02 -1.26 -5.02 117.38 109.12 1wwx n GLN 97 Ca -0.21 0.11 -0.24 0.00 -0.01 0.00 0.00 57.00 56.65 1wwx n GLN 97 Cb 0.98 -1.93 -0.10 0.00 1.02 0.00 0.00 30.24 30.20 1wwx n GLN 97 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1wwx s GLU 98 N -3.13 1.73 0.40 -1.09 8.01 -1.26 -5.03 118.70 118.32 1wwx s GLU 98 Ca 0.65 -1.78 0.00 0.00 0.01 0.00 0.00 54.97 53.85 1wwx s GLU 98 Cb -0.31 -1.77 0.00 0.00 -4.31 0.00 0.00 34.13 27.73 1wwx s GLU 98 CO 0.58 0.30 0.00 -0.25 0.01 0.00 0.00 175.26 175.90 1wwx n ASP 99 N -0.66 -8.62 -4.74 -0.19 8.00 -1.26 -4.89 116.55 104.20 1wwx n ASP 99 Ca -0.05 1.21 -0.36 0.00 0.71 0.00 0.00 54.79 56.30 1wwx n ASP 99 Cb 0.61 -4.51 0.06 0.00 -0.02 0.00 0.00 41.12 37.26 1wwx n ASP 99 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1wwx s LYS 100 N -2.84 2.60 -0.20 -1.24 1.02 -1.26 -4.97 119.74 112.85 1wwx s LYS 100 Ca 0.00 1.93 -0.18 0.00 0.02 0.00 0.00 55.97 57.74 1wwx s LYS 100 Cb 0.00 -1.87 -0.20 0.00 -0.52 0.00 0.00 37.83 35.24 1wwx s LYS 100 CO 0.00 -1.53 0.19 -0.11 -0.92 0.00 0.00 175.35 172.98 1wwx n LEU 101 N -1.97 2.03 -3.44 3.17 7.94 -1.26 -4.88 117.00 118.59 1wwx n LEU 101 Ca 0.15 0.37 -0.19 0.00 -1.11 0.00 0.00 56.01 55.22 1wwx n LEU 101 Cb 0.49 -0.98 -0.11 0.00 0.53 0.00 0.00 43.42 43.35 1wwx n LEU 101 CO 0.46 0.42 -0.21 -0.44 -1.11 0.00 0.00 177.39 176.51 1wwx s SER 102 N -6.94 1.97 0.07 1.96 0.01 -1.26 -5.14 113.70 104.36 1wwx s SER 102 Ca -0.29 -0.77 0.06 0.00 1.31 0.00 0.00 55.95 56.26 1wwx s SER 102 Cb 0.07 0.33 -0.04 0.00 0.21 0.00 0.00 66.02 66.60 1wwx s SER 102 CO 0.62 -0.39 -0.09 -0.83 0.41 0.00 0.00 173.24 172.96 1wwx s GLY 103 N 2.31 1.76 0.28 3.44 0.00 -1.26 -5.03 107.32 108.82 1wwx s GLY 103 Ca 0.09 -1.16 0.06 0.00 0.00 0.00 0.00 44.72 43.71 1wwx s GLY 103 CO -0.30 -1.09 1.66 -0.56 0.00 0.00 0.00 173.10 172.80 1wwx h PRO 104 N 3.98 0.25 -5.95 2.90 0.13 -2.01 -3.43 132.00 127.87 1wwx h PRO 104 Ca -0.48 -0.13 -0.67 0.00 -0.87 0.00 0.00 66.00 63.84 1wwx h PRO 104 Cb 1.17 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.17 1wwx h PRO 104 CO 0.53 0.66 -0.59 0.45 -0.23 0.00 0.00 178.00 178.82 1wwx s SER 105 N -6.88 5.47 0.16 1.44 0.15 -1.26 -5.02 113.70 107.75 1wwx s SER 105 Ca -0.04 0.18 -0.22 0.00 0.70 0.00 0.00 55.95 56.57 1wwx s SER 105 Cb 0.13 -1.57 0.05 0.00 -1.71 0.00 0.00 66.02 62.91 1wwx s SER 105 CO 0.78 0.35 1.63 0.77 1.20 0.00 0.00 173.24 177.97 1wwx h SER 106 N 4.86 -0.80 0.00 5.45 4.64 -2.05 -3.53 113.55 122.12 1wwx h SER 106 Ca -0.51 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1wwx h SER 106 Cb 1.19 0.39 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 1wwx h SER 106 CO 0.56 -0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.86