#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 -0.65 1.26 1.61 0.01 -1.26 -5.17 113.70 109.50 1wwx s SER 2 Ca 0.00 0.43 -0.18 0.00 1.31 0.00 0.00 55.95 57.52 1wwx s SER 2 Cb 0.00 1.55 0.28 0.00 0.21 0.00 0.00 66.02 68.07 1wwx s SER 2 CO 0.00 -0.12 0.72 -1.20 0.41 0.00 0.00 173.24 173.05 1wwx n SER 3 N 5.44 -2.80 -4.10 2.44 7.64 -1.26 -5.01 113.62 115.98 1wwx n SER 3 Ca -0.06 -0.42 -0.33 0.00 1.01 0.00 0.00 58.87 59.08 1wwx n SER 3 Cb 0.53 -1.07 -0.16 0.00 -1.01 0.00 0.00 64.21 62.50 1wwx n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wwx s GLY 4 N -2.45 1.51 -0.84 0.23 0.00 -1.26 -5.07 107.32 99.44 1wwx s GLY 4 Ca 0.63 -1.46 -0.17 0.00 0.00 0.00 0.00 44.72 43.71 1wwx s GLY 4 CO 0.60 0.43 0.96 -0.56 0.00 0.00 0.00 173.10 174.53 1wwx s SER 5 N 1.21 6.60 -0.26 1.64 0.01 -1.26 -4.58 113.70 117.06 1wwx s SER 5 Ca -0.01 -2.13 0.06 0.00 1.31 0.00 0.00 55.95 55.18 1wwx s SER 5 Cb -0.16 -2.33 0.23 0.00 0.21 0.00 0.00 66.02 63.97 1wwx s SER 5 CO -0.09 -0.93 1.14 -1.20 0.41 0.00 0.00 173.24 172.56 1wwx n SER 6 N 5.77 -1.09 -3.63 2.44 7.64 -1.26 -5.01 113.62 118.47 1wwx n SER 6 Ca 0.15 -1.83 -0.25 0.00 1.01 0.00 0.00 58.87 57.95 1wwx n SER 6 Cb 0.47 0.63 0.04 0.00 -1.01 0.00 0.00 64.21 64.35 1wwx n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wwx n GLY 7 N -0.76 -0.78 3.33 0.23 0.00 -1.26 -4.97 105.19 100.99 1wwx n GLY 7 Ca -0.12 0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 1wwx n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wwx s SER 8 N -3.76 4.98 -0.43 1.61 0.01 -1.26 -5.01 113.70 109.85 1wwx s SER 8 Ca 0.31 -0.68 0.04 0.00 1.31 0.00 0.00 55.95 56.93 1wwx s SER 8 Cb -0.09 -1.85 0.19 0.00 0.21 0.00 0.00 66.02 64.48 1wwx s SER 8 CO 0.83 -0.16 0.77 -0.44 0.41 0.00 0.00 173.24 174.65 1wwx s SER 9 N 1.48 -1.21 -0.11 2.44 0.01 -1.26 -5.07 113.70 109.98 1wwx s SER 9 Ca 0.03 -0.99 -0.01 0.00 1.31 0.00 0.00 55.95 56.29 1wwx s SER 9 Cb -0.17 1.57 -0.03 0.00 0.21 0.00 0.00 66.02 67.61 1wwx s SER 9 CO 0.01 -0.09 -0.08 -1.00 0.41 0.00 0.00 173.24 172.49 1wwx s HIS 10 N 1.43 2.92 0.12 2.43 3.76 -1.26 -5.00 115.29 119.68 1wwx s HIS 10 Ca 0.22 -0.24 -0.22 0.00 -0.15 0.00 0.00 55.06 54.66 1wwx s HIS 10 Cb 0.00 -1.81 -0.05 0.00 1.11 0.00 0.00 32.58 31.83 1wwx s HIS 10 CO -0.08 0.08 1.32 -0.11 -0.85 0.00 0.00 174.74 175.10 1wwx n LEU 11 N 2.94 -0.76 -0.36 0.89 -0.00 -1.26 0.13 117.00 118.58 1wwx n LEU 11 Ca -0.18 1.49 0.26 0.00 -0.00 0.00 0.00 56.01 57.58 1wwx n LEU 11 Cb 0.53 -0.27 0.52 0.00 -0.00 0.00 0.00 43.42 44.20 1wwx n LEU 11 CO 0.30 -1.15 1.17 4.11 -0.00 0.00 0.00 177.39 181.82 1wwx h TRP 12 N 0.00 0.77 -0.15 1.96 5.08 -1.95 0.49 115.95 122.14 1wwx h TRP 12 Ca 0.12 0.03 -0.22 0.00 1.08 0.00 0.00 58.89 59.89 1wwx h TRP 12 Cb 0.29 -0.21 0.01 0.00 -3.00 0.00 0.00 29.16 26.26 1wwx h TRP 12 CO -0.94 -0.11 -0.78 0.93 -1.28 0.00 0.00 178.44 176.26 1wwx h GLU 13 N 0.30 0.80 0.46 0.12 5.08 0.70 -2.28 114.58 119.76 1wwx h GLU 13 Ca 0.71 -0.65 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1wwx h GLU 13 Cb 1.81 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 31.18 1wwx h GLU 13 CO -0.48 1.26 -0.38 0.35 -1.00 0.00 0.00 179.01 178.76 1wwx h PHE 14 N 0.54 -1.03 -0.73 4.33 3.04 0.32 0.23 116.94 123.65 1wwx h PHE 14 Ca -0.05 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.89 1wwx h PHE 14 Cb 1.41 0.39 -0.04 0.00 2.56 0.00 0.00 35.95 40.28 1wwx h PHE 14 CO 0.09 -0.55 0.44 -0.24 -2.02 0.00 0.00 178.31 176.03 1wwx h VAL 15 N -0.84 1.21 -0.67 1.41 3.04 -1.39 -2.64 116.25 116.37 1wwx h VAL 15 Ca -0.04 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1wwx h VAL 15 Cb 0.73 0.20 -0.03 0.00 -2.01 0.00 0.00 31.29 30.17 1wwx h VAL 15 CO -0.02 0.22 0.43 -0.09 -1.01 0.00 0.00 177.57 177.10 1wwx h ARG 16 N 1.00 0.89 -0.28 4.17 2.43 -1.15 -2.83 114.38 118.60 1wwx h ARG 16 Ca 0.26 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.43 1wwx h ARG 16 Cb -0.03 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 29.26 1wwx h ARG 16 CO -0.05 0.61 -0.14 0.22 -1.51 0.00 0.00 179.97 179.10 1wwx h ASP 17 N 0.91 -0.47 -0.89 -3.80 3.58 -0.17 -1.57 116.42 114.01 1wwx h ASP 17 Ca 0.24 0.11 0.24 0.00 0.42 0.00 0.00 57.03 58.05 1wwx h ASP 17 Cb -0.08 0.26 -0.15 0.00 1.72 0.00 0.00 39.33 41.08 1wwx h ASP 17 CO -0.05 -0.18 0.18 -0.07 -2.88 0.00 0.00 179.24 176.24 1wwx h LEU 18 N -0.10 -0.13 -1.00 2.28 4.07 -1.33 1.96 115.31 121.06 1wwx h LEU 18 Ca 0.15 0.22 0.01 0.00 0.08 0.00 0.00 57.88 58.33 1wwx h LEU 18 Cb 0.32 0.32 -0.05 0.00 1.08 0.00 0.00 40.66 42.34 1wwx h LEU 18 CO -0.35 -0.22 0.64 -0.07 -1.08 0.00 0.00 178.44 177.37 1wwx h LEU 19 N 0.14 1.15 -0.47 1.67 3.38 -1.30 -1.64 115.31 118.24 1wwx h LEU 19 Ca 0.56 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.49 1wwx h LEU 19 Cb 1.15 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1wwx h LEU 19 CO -0.72 0.84 -0.33 0.18 0.09 0.00 0.00 178.44 178.50 1wwx n LEU 20 N -4.37 1.06 -3.83 1.67 4.77 0.22 -4.54 117.00 111.97 1wwx n LEU 20 Ca 0.12 -0.29 -0.28 0.00 -0.03 0.00 0.00 56.01 55.53 1wwx n LEU 20 Cb 0.02 -0.12 -0.12 0.00 -2.33 0.00 0.00 43.42 40.87 1wwx n LEU 20 CO 0.37 0.20 -0.11 -0.44 -1.33 0.00 0.00 177.39 176.09 1wwx s SER 21 N -2.58 4.23 0.00 -1.43 0.01 0.61 -4.92 113.70 109.63 1wwx s SER 21 Ca 0.22 -3.54 0.14 0.00 1.31 0.00 0.00 55.95 54.08 1wwx s SER 21 Cb 0.19 -1.44 0.61 0.00 0.21 0.00 0.00 66.02 65.59 1wwx s SER 21 CO 0.56 -0.13 1.45 -0.81 0.41 0.00 0.00 173.24 174.72 1wwx n PRO 22 N 2.37 0.01 0.11 12.44 -0.04 -1.24 -1.48 135.00 147.17 1wwx n PRO 22 Ca 0.18 0.25 -0.01 0.00 -0.04 0.00 0.00 63.50 63.88 1wwx n PRO 22 Cb 0.36 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.91 -3.37 114.58 114.92 1wwx h GLU 23 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 1wwx h GLU 23 Cb 0.24 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 1wwx h GLU 23 CO 0.00 0.69 -2.27 0.39 -1.00 0.00 0.00 179.01 176.81 1wwx n GLU 24 N -3.28 0.51 -1.88 2.33 -0.58 -1.00 -4.94 120.64 111.80 1wwx n GLU 24 Ca 0.01 0.18 -0.42 0.00 -0.42 0.00 0.00 57.16 56.51 1wwx n GLU 24 Cb 0.81 -1.37 -0.03 0.00 -0.57 0.00 0.00 31.44 30.28 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 -6.71 6.58 -0.66 1.62 2.47 -0.55 -4.95 114.94 112.74 1wwx s ASN 25 Ca -0.31 2.43 0.01 0.00 0.42 0.00 0.00 52.86 55.41 1wwx s ASN 25 Cb 0.11 -2.54 0.17 0.00 -1.45 0.00 0.00 41.25 37.53 1wwx s ASN 25 CO 0.44 -0.96 0.46 0.00 -3.72 0.00 0.00 177.10 173.33 1wwx n GLY 27 N 2.88 -0.48 0.09 0.00 0.00 -1.26 -4.83 105.19 101.59 1wwx n GLY 27 Ca 0.12 0.09 -0.07 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.98 1.42 -4.36 -0.61 5.41 -1.26 -4.19 119.36 111.79 1wwx n ILE 28 Ca -0.00 -0.78 -0.21 0.00 1.00 0.00 0.00 62.75 62.76 1wwx n ILE 28 Cb 0.53 -0.79 -0.09 0.00 -0.71 0.00 0.00 39.64 38.59 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 -5.81 1.77 -0.03 1.39 1.43 -1.26 -0.95 118.68 115.22 1wwx s LEU 29 Ca -0.06 -1.66 -0.13 0.00 -1.03 0.00 0.00 54.13 51.25 1wwx s LEU 29 Cb 0.08 0.26 0.02 0.00 0.03 0.00 0.00 46.19 46.58 1wwx s LEU 29 CO 0.83 -0.97 0.28 -1.61 0.23 0.00 0.00 176.35 175.11 1wwx s GLU 30 N -3.66 0.59 -0.71 1.70 2.02 -0.07 -4.70 118.70 113.87 1wwx s GLU 30 Ca 0.34 -0.13 -0.18 0.00 0.02 0.00 0.00 54.97 55.03 1wwx s GLU 30 Cb 0.03 0.26 0.14 0.00 0.10 0.00 0.00 34.13 34.66 1wwx s GLU 30 CO 0.20 -0.15 0.79 -1.58 0.02 0.00 0.00 175.26 174.54 1wwx s TRP 31 N -1.10 3.21 0.15 1.61 0.23 -1.26 -0.98 118.94 120.79 1wwx s TRP 31 Ca -0.12 -1.30 -0.06 0.00 -2.03 0.00 0.00 56.10 52.60 1wwx s TRP 31 Cb -0.05 -4.01 -0.03 0.00 0.03 0.00 0.00 33.47 29.41 1wwx s TRP 31 CO 0.03 -1.25 1.38 0.93 0.96 0.00 0.00 176.95 179.00 1wwx h GLU 32 N 8.79 0.55 -0.89 4.98 4.39 -1.70 -3.43 114.58 127.26 1wwx h GLU 32 Ca -0.12 -0.45 0.03 0.00 0.34 0.00 0.00 59.36 59.16 1wwx h GLU 32 Cb 1.06 0.10 -0.20 0.00 -0.10 0.00 0.00 28.75 29.61 1wwx h GLU 32 CO 1.02 1.08 -0.35 -0.51 -1.16 0.00 0.00 179.01 179.09 1wwx s ASP 33 N -7.03 -1.42 0.19 1.42 1.01 -0.94 -4.97 116.67 104.93 1wwx s ASP 33 Ca -0.07 -0.12 -0.12 0.00 0.71 0.00 0.00 52.55 52.95 1wwx s ASP 33 Cb 0.10 1.86 0.14 0.00 1.01 0.00 0.00 42.92 46.03 1wwx s ASP 33 CO 0.86 -0.23 1.84 -0.09 0.21 0.00 0.00 175.17 177.76 1wwx h ARG 34 N 7.51 0.74 -0.27 8.23 9.65 -1.84 1.06 114.38 139.46 1wwx h ARG 34 Ca -0.00 -0.04 0.05 0.00 -1.10 0.00 0.00 59.98 58.89 1wwx h ARG 34 Cb 1.19 -0.17 -0.05 0.00 -1.39 0.00 0.00 29.97 29.55 1wwx h ARG 34 CO 0.10 0.49 -0.08 0.93 2.80 0.00 0.00 179.97 184.21 1wwx h GLU 35 N 0.76 -0.02 0.00 0.20 4.39 -1.96 -1.76 114.58 116.20 1wwx h GLU 35 Ca 0.25 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.88 1wwx h GLU 35 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1wwx h GLU 35 CO -0.09 -0.01 -0.29 1.96 -1.16 0.00 0.00 179.01 179.41 1wwx h GLN 36 N -0.02 0.00 0.00 2.33 4.20 -1.90 -3.48 115.11 116.24 1wwx h GLN 36 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1wwx h GLN 36 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1wwx h GLN 36 CO -0.28 0.29 0.00 0.41 -0.67 0.00 0.00 178.83 178.58 1wwx n GLY 37 N 1.12 0.75 3.78 3.46 0.00 0.35 -4.78 105.19 109.86 1wwx n GLY 37 Ca 0.03 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 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 5.08 0.04 -0.61 1.01 -0.03 -2.46 121.20 122.23 1wwx s ILE 38 Ca 0.00 0.93 0.01 0.00 0.00 0.00 0.00 60.65 61.59 1wwx s ILE 38 Cb 0.00 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 1wwx s ILE 38 CO 0.00 0.45 -0.06 0.72 0.00 0.00 0.00 174.94 176.05 1wwx s PHE 39 N -0.23 0.55 0.07 3.97 -0.71 0.04 -1.79 117.98 119.88 1wwx s PHE 39 Ca 0.25 -0.53 0.06 0.00 -1.04 0.00 0.00 56.93 55.67 1wwx s PHE 39 Cb -0.16 -0.34 -0.04 0.00 -1.21 0.00 0.00 43.02 41.27 1wwx s PHE 39 CO 0.12 -0.12 -0.09 0.50 -1.34 0.00 0.00 175.22 174.29 1wwx s ARG 40 N -1.63 2.29 -1.11 1.99 3.52 -0.15 -1.16 118.95 122.69 1wwx s ARG 40 Ca -0.11 -0.91 -0.12 0.00 -0.13 0.00 0.00 55.73 54.45 1wwx s ARG 40 Cb -0.09 -2.38 0.21 0.00 -1.56 0.00 0.00 34.95 31.13 1wwx s ARG 40 CO -0.00 0.54 1.23 0.08 -0.81 0.00 0.00 175.30 176.34 1wwx s VAL 41 N -1.13 5.43 0.20 7.11 1.01 0.38 -0.89 120.40 132.50 1wwx s VAL 41 Ca 0.20 -2.83 -0.13 0.00 0.00 0.00 0.00 61.98 59.22 1wwx s VAL 41 Cb -0.11 -4.75 0.19 0.00 0.00 0.00 0.00 36.38 31.71 1wwx s VAL 41 CO 0.12 -1.40 1.65 0.58 0.00 0.00 0.00 175.10 176.05 1wwx h VAL 42 N 4.40 0.46 -3.76 2.92 2.07 -1.32 -3.35 116.25 117.67 1wwx h VAL 42 Ca 0.23 -0.01 -0.68 0.00 0.82 0.00 0.00 66.70 67.06 1wwx h VAL 42 Cb 0.90 0.41 -0.35 0.00 -1.52 0.00 0.00 31.29 30.74 1wwx h VAL 42 CO 1.10 0.01 -0.71 -0.54 0.02 0.00 0.00 177.57 177.45 1wwx s LYS 43 N -6.20 2.22 0.34 1.57 1.02 -0.55 -4.96 119.74 113.19 1wwx s LYS 43 Ca -0.14 -1.42 0.18 0.00 0.02 0.00 0.00 55.97 54.61 1wwx s LYS 43 Cb 0.18 -3.15 0.33 0.00 -0.52 0.00 0.00 37.83 34.68 1wwx s LYS 43 CO 0.73 -0.69 1.57 0.66 -0.92 0.00 0.00 175.35 176.70 1wwx h SER 44 N 7.90 0.00 0.08 2.83 4.64 -1.86 -2.45 113.55 124.68 1wwx h SER 44 Ca -0.18 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.02 1wwx h SER 44 Cb 1.05 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1wwx h SER 44 CO 0.53 0.39 -0.57 1.05 -0.87 0.00 0.00 176.83 177.35 1wwx h GLU 45 N 0.00 0.17 -0.66 4.77 4.11 -1.95 -3.21 114.58 117.81 1wwx h GLU 45 Ca -0.00 -0.29 -0.08 0.00 0.07 0.00 0.00 59.36 59.06 1wwx h GLU 45 Cb 1.17 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 1wwx h GLU 45 CO 0.05 1.14 0.09 0.00 0.07 0.00 0.00 179.01 180.36 1wwx h ALA 46 N 0.01 0.90 0.10 1.06 0.00 -1.98 -0.79 119.26 118.58 1wwx h ALA 46 Ca -0.11 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.54 1wwx h ALA 46 Cb 1.39 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1wwx h ALA 46 CO 0.07 0.67 -0.22 1.25 0.00 0.00 0.00 179.25 181.02 1wwx h LEU 47 N 1.03 -0.62 -0.38 0.00 5.85 -1.57 0.90 115.31 120.51 1wwx h LEU 47 Ca 0.20 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.94 1wwx h LEU 47 Cb 0.46 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1wwx h LEU 47 CO 0.02 -0.31 0.04 0.00 -0.34 0.00 0.00 178.44 177.85 1wwx h ALA 48 N 0.38 0.51 -0.47 1.25 0.00 -1.54 -1.18 119.26 118.21 1wwx h ALA 48 Ca 0.03 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.78 1wwx h ALA 48 Cb 0.43 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1wwx h ALA 48 CO -0.13 0.24 0.15 0.87 0.00 0.00 0.00 179.25 180.38 1wwx h LYS 49 N 0.49 0.30 -0.35 0.00 1.57 -0.88 0.16 116.57 117.86 1wwx h LYS 49 Ca 0.11 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 1wwx h LYS 49 Cb 0.40 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1wwx h LYS 49 CO 0.01 0.20 -0.27 0.52 -0.57 0.00 0.00 179.45 179.34 1wwx h MET 50 N 0.31 0.73 -0.06 3.15 2.86 -0.73 -3.08 114.93 118.12 1wwx h MET 50 Ca 0.23 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1wwx h MET 50 Cb 0.25 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1wwx h MET 50 CO -0.25 0.92 0.02 2.35 1.06 0.00 0.00 176.91 181.01 1wwx h TRP 51 N 0.63 0.09 -0.68 -0.22 -0.00 -0.34 -3.07 115.95 112.35 1wwx h TRP 51 Ca 0.08 -0.01 0.13 0.00 -0.00 0.00 0.00 58.89 59.09 1wwx h TRP 51 Cb 0.78 -0.03 -0.09 0.00 -0.00 0.00 0.00 29.16 29.82 1wwx h TRP 51 CO 0.04 0.25 0.19 0.78 -0.00 0.00 0.00 178.44 179.70 1wwx h GLY 52 N -0.10 0.94 0.27 2.65 0.00 -0.69 0.90 103.07 107.04 1wwx h GLY 52 Ca 0.02 -0.07 0.22 0.00 0.00 0.00 0.00 47.33 47.50 1wwx h GLY 52 CO -0.00 -0.13 0.61 1.46 0.00 0.00 0.00 176.54 178.48 1wwx h GLN 53 N 0.32 0.27 -0.14 4.80 4.20 -1.44 0.76 115.11 123.87 1wwx h GLN 53 Ca 0.37 -0.02 -0.17 0.00 0.06 0.00 0.00 58.65 58.89 1wwx h GLN 53 Cb 0.57 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 1wwx h GLN 53 CO -0.43 0.18 -0.62 0.00 -0.67 0.00 0.00 178.83 177.30 1wwx h ARG 54 N 0.28 0.50 -0.70 1.46 2.47 -0.84 -3.01 114.38 114.54 1wwx h ARG 54 Ca 0.46 -0.35 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1wwx h ARG 54 Cb 1.33 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.71 1wwx h ARG 54 CO -0.13 0.96 0.00 1.63 0.56 0.00 0.00 179.97 182.99 1wwx n LYS 55 N -3.92 2.64 -2.34 0.04 4.76 0.74 -4.93 118.16 115.15 1wwx n LYS 55 Ca -0.04 -2.51 -0.15 0.00 -2.87 0.00 0.00 58.31 52.74 1wwx n LYS 55 Cb 0.64 -1.55 -0.01 0.00 -1.84 0.00 0.00 35.03 32.27 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 1.53 -1.98 -3.24 1.97 4.76 0.23 -4.89 118.16 116.53 1wwx n LYS 56 Ca 0.23 0.75 -0.45 0.00 -2.87 0.00 0.00 58.31 55.97 1wwx n LYS 56 Cb 0.59 -5.35 -0.01 0.00 -1.84 0.00 0.00 35.03 28.43 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 -2.06 7.04 0.56 4.39 3.84 -0.17 -4.85 114.94 123.68 1wwx s ASN 57 Ca 0.00 -3.06 0.25 0.00 0.21 0.00 0.00 52.86 50.26 1wwx s ASN 57 Cb 0.00 -2.25 1.36 0.00 -0.55 0.00 0.00 41.25 39.81 1wwx s ASN 57 CO 0.00 -0.52 1.74 0.44 -2.79 0.00 0.00 177.10 175.97 1wwx h ASP 58 N 7.32 0.00 -0.88 -4.21 5.19 -1.90 0.36 116.42 122.30 1wwx h ASP 58 Ca 0.17 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 56.11 1wwx h ASP 58 Cb 0.94 0.00 -0.27 0.00 0.18 0.00 0.00 39.33 40.18 1wwx h ASP 58 CO 0.97 0.00 0.52 0.54 -3.12 0.00 0.00 179.24 178.15 1wwx n ARG 59 N -2.63 2.23 -2.80 3.56 5.12 -1.26 -4.98 116.66 115.91 1wwx n ARG 59 Ca -0.02 -3.09 -0.41 0.00 -1.93 0.00 0.00 57.85 52.41 1wwx n ARG 59 Cb 0.34 -2.13 -0.04 0.00 -1.16 0.00 0.00 32.46 29.48 1wwx n ARG 59 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1wwx s MET 60 N -3.35 4.59 -0.06 5.56 1.75 0.13 -5.00 119.30 122.91 1wwx s MET 60 Ca 0.55 1.32 -0.14 0.00 -1.25 0.00 0.00 55.69 56.17 1wwx s MET 60 Cb 0.47 -3.41 0.03 0.00 2.84 0.00 0.00 34.83 34.76 1wwx s MET 60 CO 0.08 0.11 0.34 -0.08 -0.65 0.00 0.00 175.02 174.82 1wwx s THR 61 N 0.45 0.03 0.34 10.11 -1.32 -1.26 -4.50 115.64 119.49 1wwx s THR 61 Ca 0.46 -0.27 0.13 0.00 -1.21 0.00 0.00 61.69 60.80 1wwx s THR 61 Cb -0.21 -0.58 0.38 0.00 -1.51 0.00 0.00 72.50 70.57 1wwx s THR 61 CO 0.27 -0.15 1.58 0.22 -2.21 0.00 0.00 174.62 174.33 1wwx h TYR 62 N 4.51 0.47 -0.84 9.09 3.20 -1.89 1.01 116.97 132.53 1wwx h TYR 62 Ca -0.28 0.05 0.17 0.00 3.14 0.00 0.00 58.73 61.81 1wwx h TYR 62 Cb 1.18 -0.04 -0.10 0.00 1.54 0.00 0.00 36.73 39.31 1wwx h TYR 62 CO 0.47 -0.45 0.39 1.49 -1.64 0.00 0.00 178.16 178.42 1wwx h GLU 63 N 0.01 0.49 0.14 1.82 4.81 -1.96 0.19 114.58 120.08 1wwx h GLU 63 Ca 0.74 -0.03 -0.26 0.00 -0.13 0.00 0.00 59.36 59.69 1wwx h GLU 63 Cb 1.82 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 31.09 1wwx h GLU 63 CO -0.83 0.33 -1.27 0.87 -0.73 0.00 0.00 179.01 177.38 1wwx h LYS 64 N 0.51 0.29 -0.85 1.92 1.57 0.52 -3.34 116.57 117.19 1wwx h LYS 64 Ca 0.48 -0.50 0.17 0.00 -1.87 0.00 0.00 60.65 58.93 1wwx h LYS 64 Cb 0.77 0.18 -0.06 0.00 0.08 0.00 0.00 32.23 33.20 1wwx h LYS 64 CO -0.43 1.24 0.56 1.25 -0.57 0.00 0.00 179.45 181.50 1wwx h LEU 65 N -0.27 0.49 -1.36 2.94 6.46 -0.20 0.69 115.31 124.06 1wwx h LEU 65 Ca -0.26 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 57.56 1wwx h LEU 65 Cb 1.78 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 41.61 1wwx h LEU 65 CO 0.11 0.23 0.44 0.77 -0.62 0.00 0.00 178.44 179.38 1wwx h SER 66 N 0.51 0.73 -0.92 1.25 4.64 -0.76 -2.50 113.55 116.50 1wwx h SER 66 Ca 0.43 -0.01 0.26 0.00 -0.47 0.00 0.00 61.79 62.00 1wwx h SER 66 Cb 0.91 -0.18 -0.16 0.00 -0.31 0.00 0.00 62.40 62.66 1wwx h SER 66 CO -0.17 0.52 0.16 0.08 -0.87 0.00 0.00 176.83 176.54 1wwx h ARG 67 N 0.86 0.10 -0.10 4.77 0.11 -1.00 0.82 114.38 119.94 1wwx h ARG 67 Ca 0.26 -0.01 -0.16 0.00 0.10 0.00 0.00 59.98 60.17 1wwx h ARG 67 Cb -0.01 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.03 1wwx h ARG 67 CO -0.07 0.07 -0.63 0.00 0.10 0.00 0.00 179.97 179.44 1wwx h ALA 68 N 1.87 0.74 -0.57 0.08 0.00 -1.58 -0.98 119.26 118.81 1wwx h ALA 68 Ca 0.58 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1wwx h ALA 68 Cb 1.22 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1wwx h ALA 68 CO -0.77 0.73 0.15 -0.07 0.00 0.00 0.00 179.25 179.29 1wwx h LEU 69 N 0.26 0.81 0.00 0.00 3.38 0.58 -0.89 115.31 119.46 1wwx h LEU 69 Ca -0.01 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1wwx h LEU 69 Cb 1.17 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1wwx h LEU 69 CO 0.11 0.79 -0.67 0.03 0.09 0.00 0.00 178.44 178.78 1wwx h ARG 70 N 0.84 0.00 0.00 1.13 3.08 -0.86 -3.29 114.38 115.29 1wwx h ARG 70 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1wwx h ARG 70 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1wwx h ARG 70 CO -0.00 0.00 -0.34 -0.92 -1.07 0.00 0.00 179.97 177.64 1wwx h TYR 71 N 0.00 0.00 0.00 3.04 5.03 -0.70 -3.25 116.97 121.09 1wwx h TYR 71 Ca 0.00 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.28 1wwx h TYR 71 Cb 0.95 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.23 1wwx h TYR 71 CO 0.00 0.00 -0.17 1.88 -1.32 0.00 0.00 178.16 178.55 1wwx h TYR 72 N 0.00 0.00 0.00 -3.82 0.05 -1.24 -3.09 116.97 108.87 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 0.81 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.55 1wwx h TYR 72 CO 0.00 0.17 0.00 1.88 -1.05 0.00 0.00 178.16 179.16 1wwx h TYR 73 N 0.00 0.00 0.26 4.88 0.05 -1.72 0.26 116.97 120.70 1wwx h TYR 73 Ca -0.00 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.44 1wwx h TYR 73 Cb 1.00 0.00 0.04 0.00 1.01 0.00 0.00 36.73 38.78 1wwx h TYR 73 CO 0.00 0.00 -1.49 0.87 -1.05 0.00 0.00 178.16 176.49 1wwx h LYS 74 N 0.00 0.54 0.00 4.88 1.57 -1.76 -3.33 116.57 118.47 1wwx h LYS 74 Ca 0.00 -0.93 -0.15 0.00 -1.87 0.00 0.00 60.65 57.70 1wwx h LYS 74 Cb 0.21 0.35 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1wwx h LYS 74 CO 0.00 1.45 -1.19 1.79 -0.57 0.00 0.00 179.45 180.93 1wwx h THR 75 N 0.14 0.57 0.00 -0.16 1.35 -1.58 -3.48 112.91 109.75 1wwx h THR 75 Ca -0.26 -2.02 0.00 0.00 -0.55 0.00 0.00 66.41 63.58 1wwx h THR 75 Cb 2.17 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 70.70 1wwx h THR 75 CO 0.28 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 1wwx n GLY 76 N 1.35 2.53 0.34 5.82 0.00 0.87 -4.82 105.19 111.28 1wwx n GLY 76 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.01 -0.41 -4.00 -0.61 2.08 -1.02 -3.67 119.36 110.72 1wwx n ILE 77 Ca 0.00 2.19 -0.24 0.00 0.56 0.00 0.00 62.75 65.26 1wwx n ILE 77 Cb 0.00 -3.16 -0.06 0.00 -0.75 0.00 0.00 39.64 35.67 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 -11.01 3.19 -0.18 1.39 1.43 -1.22 -0.13 118.68 112.16 1wwx s LEU 78 Ca -0.13 -0.97 -0.01 0.00 -1.03 0.00 0.00 54.13 51.99 1wwx s LEU 78 Cb 0.28 -1.61 0.05 0.00 0.03 0.00 0.00 46.19 44.94 1wwx s LEU 78 CO 0.77 -0.54 -0.02 -1.61 0.23 0.00 0.00 176.35 175.18 1wwx s GLU 79 N -3.95 1.16 0.07 1.70 2.02 0.10 -4.34 118.70 115.47 1wwx s GLU 79 Ca 0.42 -0.50 -0.36 0.00 0.02 0.00 0.00 54.97 54.55 1wwx s GLU 79 Cb 0.02 -2.03 -0.16 0.00 0.10 0.00 0.00 34.13 32.06 1wwx s GLU 79 CO 0.24 -0.51 1.47 -2.13 0.02 0.00 0.00 175.26 174.35 1wwx n ARG 80 N 4.92 1.47 -4.31 1.61 0.63 -1.26 -3.95 116.66 115.77 1wwx n ARG 80 Ca -0.11 0.53 -0.28 0.00 -0.92 0.00 0.00 57.85 57.07 1wwx n ARG 80 Cb 0.47 -2.22 -0.10 0.00 0.45 0.00 0.00 32.46 31.06 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 1.03 2.97 -0.35 5.15 1.01 -1.26 -5.01 120.40 123.95 1wwx s VAL 81 Ca 0.85 -1.62 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1wwx s VAL 81 Cb -0.88 -2.42 0.37 0.00 0.00 0.00 0.00 36.38 33.44 1wwx s VAL 81 CO 0.46 -0.02 1.77 0.47 0.00 0.00 0.00 175.10 177.78 1wwx n ASP 82 N 0.39 4.91 -4.40 3.32 9.92 -1.26 -4.90 116.55 124.53 1wwx n ASP 82 Ca -0.13 -3.14 -0.20 0.00 -0.53 0.00 0.00 54.79 50.80 1wwx n ASP 82 Cb 0.54 -0.85 -0.10 0.00 -0.64 0.00 0.00 41.12 40.07 1wwx n ASP 82 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1wwx s ARG 83 N -2.24 1.51 -0.04 -1.24 3.00 -1.26 -5.13 118.95 113.54 1wwx s ARG 83 Ca 0.38 -1.80 -0.16 0.00 0.00 0.00 0.00 55.73 54.15 1wwx s ARG 83 Cb 0.31 -0.79 -0.05 0.00 0.00 0.00 0.00 34.95 34.42 1wwx s ARG 83 CO 0.04 -0.13 0.44 0.50 0.00 0.00 0.00 175.30 176.15 1wwx s ARG 84 N -3.86 4.11 -0.83 3.54 3.52 -1.26 -4.10 118.95 120.06 1wwx s ARG 84 Ca 0.33 0.44 0.00 0.00 -0.13 0.00 0.00 55.73 56.37 1wwx s ARG 84 Cb 0.07 -3.30 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 1wwx s ARG 84 CO 0.12 0.49 0.00 1.28 -0.81 0.00 0.00 175.30 176.38 1wwx n LEU 85 N 2.50 -0.81 -3.94 -0.88 4.32 -1.26 -4.90 117.00 112.03 1wwx n LEU 85 Ca -0.11 0.26 -0.31 0.00 -0.02 0.00 0.00 56.01 55.83 1wwx n LEU 85 Cb 0.52 -1.78 -0.15 0.00 -1.62 0.00 0.00 43.42 40.39 1wwx n LEU 85 CO 0.40 -0.19 -0.38 -0.69 -1.22 0.00 0.00 177.39 175.31 1wwx s VAL 86 N -2.29 1.74 0.40 4.08 1.01 -1.26 -0.47 120.40 123.60 1wwx s VAL 86 Ca 0.00 -1.68 0.08 0.00 0.00 0.00 0.00 61.98 60.38 1wwx s VAL 86 Cb 0.00 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1wwx s VAL 86 CO 0.00 -0.36 0.28 -0.31 0.00 0.00 0.00 175.10 174.70 1wwx s TYR 87 N 1.24 2.68 -0.13 5.22 1.51 -0.31 -4.54 117.35 123.02 1wwx s TYR 87 Ca 0.02 -0.51 -0.12 0.00 -1.01 0.00 0.00 57.07 55.46 1wwx s TYR 87 Cb -0.19 -2.03 0.04 0.00 -0.11 0.00 0.00 41.96 39.67 1wwx s TYR 87 CO -0.10 0.05 0.35 0.21 -1.11 0.00 0.00 175.55 174.95 1wwx s LYS 88 N -4.01 0.40 0.09 -0.62 2.20 -1.25 -0.78 119.74 115.76 1wwx s LYS 88 Ca 0.44 0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 56.26 1wwx s LYS 88 Cb -0.01 0.17 -0.05 0.00 -1.51 0.00 0.00 37.83 36.43 1wwx s LYS 88 CO 0.25 -0.06 1.02 -0.06 -0.36 0.00 0.00 175.35 176.14 1wwx s PHE 89 N 0.32 3.69 0.00 4.03 0.08 -1.03 0.02 117.98 125.09 1wwx s PHE 89 Ca -0.01 1.67 0.00 0.00 0.12 0.00 0.00 56.93 58.71 1wwx s PHE 89 Cb -0.03 -3.16 0.00 0.00 -0.57 0.00 0.00 43.02 39.26 1wwx s PHE 89 CO -0.01 -0.19 0.00 0.41 -0.10 0.00 0.00 175.22 175.33 1wwx n GLY 90 N 2.50 0.99 0.09 4.36 0.00 0.82 -4.74 105.19 109.20 1wwx n GLY 90 Ca 0.04 -1.51 0.01 0.00 0.00 0.00 0.00 46.02 44.57 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 0.63 0.25 1.61 -0.00 -1.25 -4.05 118.16 115.35 1wwx n LYS 91 Ca 0.00 0.12 0.08 0.00 -0.00 0.00 0.00 58.31 58.52 1wwx n LYS 91 Cb 0.00 -1.73 0.63 0.00 -0.00 0.00 0.00 35.03 33.93 1wwx n LYS 91 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1wwx h ASN 92 N 0.00 0.00 -4.04 -5.58 2.35 -1.82 -3.43 115.58 103.06 1wwx h ASN 92 Ca -0.17 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.07 1wwx h ASN 92 Cb 1.53 0.00 0.05 0.00 0.05 0.00 0.00 38.32 39.95 1wwx h ASN 92 CO 0.03 0.07 0.29 0.00 -1.65 0.00 0.00 177.43 176.18 1wwx s ALA 93 N -4.82 3.22 0.24 -0.83 0.00 -1.26 -4.84 121.76 113.47 1wwx s ALA 93 Ca -0.05 -0.27 -0.09 0.00 0.00 0.00 0.00 51.96 51.56 1wwx s ALA 93 Cb 0.16 -2.88 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 1wwx s ALA 93 CO 0.66 -0.57 0.36 -3.38 0.00 0.00 0.00 175.76 172.84 1wwx s HIS 94 N -3.01 0.65 0.00 0.00 -3.43 -1.26 -4.92 115.29 103.33 1wwx s HIS 94 Ca 0.52 -0.96 0.00 0.00 -0.80 0.00 0.00 55.06 53.82 1wwx s HIS 94 Cb -0.11 -0.07 0.00 0.00 -1.43 0.00 0.00 32.58 30.97 1wwx s HIS 94 CO 0.50 -0.88 0.00 0.41 -2.00 0.00 0.00 174.74 172.77 1wwx n GLY 95 N -0.35 3.03 0.14 -1.38 0.00 -1.26 -4.77 105.19 100.60 1wwx n GLY 95 Ca -0.00 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 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 0.81 -3.37 1.61 5.08 -1.97 -3.46 115.95 114.65 1wwx h TRP 96 Ca 0.00 -0.59 -0.56 0.00 1.08 0.00 0.00 58.89 58.82 1wwx h TRP 96 Cb 0.00 -0.03 0.19 0.00 -3.00 0.00 0.00 29.16 26.32 1wwx h TRP 96 CO 0.00 1.51 -0.30 1.04 -1.28 0.00 0.00 178.44 179.40 1wwx n GLN 97 N -3.83 0.26 -4.45 0.12 6.02 -1.26 -5.02 117.38 109.22 1wwx n GLN 97 Ca -0.17 0.14 -0.24 0.00 -0.01 0.00 0.00 57.00 56.71 1wwx n GLN 97 Cb 1.01 -1.92 -0.10 0.00 1.02 0.00 0.00 30.24 30.26 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 -3.00 1.76 0.96 -1.09 2.56 -1.26 -5.12 118.70 113.51 1wwx s GLU 98 Ca 0.66 -1.73 -0.10 0.00 0.00 0.00 0.00 54.97 53.80 1wwx s GLU 98 Cb -0.33 -1.82 0.17 0.00 2.00 0.00 0.00 34.13 34.15 1wwx s GLU 98 CO 0.57 0.33 1.13 -0.25 -0.56 0.00 0.00 175.26 176.48 1wwx n ASP 99 N -0.66 0.03 -4.64 -1.70 8.00 -1.26 -5.03 116.55 111.30 1wwx n ASP 99 Ca -0.05 0.34 -0.24 0.00 0.71 0.00 0.00 54.79 55.54 1wwx n ASP 99 Cb 0.60 -1.45 0.11 0.00 -0.02 0.00 0.00 41.12 40.36 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 -4.60 1.63 -0.42 -1.24 -0.14 -1.26 -5.06 119.74 108.64 1wwx s LYS 100 Ca 0.67 -0.92 -0.09 0.00 -1.36 0.00 0.00 55.97 54.28 1wwx s LYS 100 Cb -0.23 -2.26 0.08 0.00 -1.68 0.00 0.00 37.83 33.74 1wwx s LYS 100 CO 0.59 -1.52 0.26 -0.48 -0.76 0.00 0.00 175.35 173.44 1wwx s LEU 101 N -5.23 5.17 0.02 3.17 2.34 -1.26 -4.90 118.68 117.99 1wwx s LEU 101 Ca 0.66 -1.55 -0.04 0.00 0.06 0.00 0.00 54.13 53.26 1wwx s LEU 101 Cb -0.06 -1.98 -0.01 0.00 -0.56 0.00 0.00 46.19 43.58 1wwx s LEU 101 CO 0.45 -0.54 -0.08 -1.54 -1.06 0.00 0.00 176.35 173.58 1wwx n SER 102 N 4.90 1.13 -3.03 1.48 3.41 -1.26 -5.07 113.62 115.18 1wwx n SER 102 Ca -0.10 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1wwx n SER 102 Cb 0.43 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1wwx n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wwx n GLY 103 N 2.96 -3.06 2.88 5.00 0.00 -1.26 -5.00 105.19 106.72 1wwx n GLY 103 Ca -0.03 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 1wwx n GLY 103 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wwx n PRO 104 N -1.58 -2.79 0.01 1.61 -0.04 -1.26 -4.98 135.00 125.98 1wwx n PRO 104 Ca 0.00 -1.44 0.00 0.00 -0.04 0.00 0.00 63.50 62.02 1wwx n PRO 104 Cb 0.00 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 1wwx n PRO 104 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wwx n SER 105 N -4.55 -0.23 -4.46 3.54 2.88 -1.26 -5.02 113.62 104.51 1wwx n SER 105 Ca 0.12 0.36 -0.40 0.00 -1.33 0.00 0.00 58.87 57.63 1wwx n SER 105 Cb 0.48 0.53 -0.08 0.00 -0.75 0.00 0.00 64.21 64.40 1wwx n SER 105 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wwx n SER 106 N -2.71 -1.38 0.00 -3.46 3.41 -1.26 -5.30 113.62 102.92 1wwx n SER 106 Ca 0.00 -1.23 0.12 0.00 -0.26 0.00 0.00 58.87 57.50 1wwx n SER 106 Cb 0.00 -1.73 0.74 0.00 -0.26 0.00 0.00 64.21 62.96 1wwx n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49