#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwx n SER 2 N 0.00 1.90 -4.90 1.61 2.88 -1.26 -4.97 113.62 108.88 1wwx n SER 2 Ca 0.00 1.14 -0.29 0.00 -1.33 0.00 0.00 58.87 58.39 1wwx n SER 2 Cb 0.00 -1.39 0.07 0.00 -0.75 0.00 0.00 64.21 62.13 1wwx n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wwx s SER 3 N -0.53 4.92 0.00 -3.46 0.01 -1.26 -4.93 113.70 108.45 1wwx s SER 3 Ca 0.59 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.69 1wwx s SER 3 Cb -0.59 -1.49 0.00 0.00 0.21 0.00 0.00 66.02 64.15 1wwx s SER 3 CO 0.60 -1.63 0.00 0.61 0.41 0.00 0.00 173.24 173.23 1wwx n GLY 4 N -3.11 -1.81 0.15 3.44 0.00 -1.26 -5.01 105.19 97.59 1wwx n GLY 4 Ca 0.07 0.61 -0.09 0.00 0.00 0.00 0.00 46.02 46.61 1wwx n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wwx h SER 5 N 0.00 -0.23 -5.52 1.61 0.02 -1.99 -3.49 113.55 103.95 1wwx h SER 5 Ca 0.00 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1wwx h SER 5 Cb 0.00 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1wwx h SER 5 CO 0.00 0.31 -1.02 -1.20 -1.14 0.00 0.00 176.83 173.78 1wwx n SER 6 N -4.95 -6.22 0.00 3.07 7.64 -1.26 -5.00 113.62 106.90 1wwx n SER 6 Ca -0.07 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.94 1wwx n SER 6 Cb 0.23 -4.05 0.00 0.00 -1.01 0.00 0.00 64.21 59.38 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 1.21 -0.52 3.18 0.23 0.00 -1.26 -5.16 105.19 102.87 1wwx n GLY 7 Ca -0.08 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 1wwx n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wwx s SER 8 N -4.00 -0.11 -0.12 1.61 1.04 -1.26 -5.03 113.70 105.84 1wwx s SER 8 Ca 0.00 -0.01 -0.02 0.00 0.48 0.00 0.00 55.95 56.40 1wwx s SER 8 Cb 0.00 0.28 0.01 0.00 0.10 0.00 0.00 66.02 66.41 1wwx s SER 8 CO 0.00 -0.40 0.04 -1.20 0.98 0.00 0.00 173.24 172.66 1wwx n SER 9 N 1.43 -6.16 -4.63 7.02 7.64 -1.26 -5.00 113.62 112.66 1wwx n SER 9 Ca -0.22 0.97 -0.31 0.00 1.01 0.00 0.00 58.87 60.32 1wwx n SER 9 Cb 0.56 -3.25 -0.09 0.00 -1.01 0.00 0.00 64.21 60.42 1wwx n SER 9 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1wwx s HIS 10 N -0.92 2.90 0.15 1.43 3.76 -1.26 -5.00 115.29 116.35 1wwx s HIS 10 Ca -0.05 -0.06 -0.25 0.00 -0.15 0.00 0.00 55.06 54.56 1wwx s HIS 10 Cb 0.00 -1.54 0.02 0.00 1.11 0.00 0.00 32.58 32.17 1wwx s HIS 10 CO 0.36 0.44 1.60 1.25 -0.85 0.00 0.00 174.74 177.53 1wwx h LEU 11 N 3.84 -1.06 -1.38 0.89 7.12 -1.99 0.46 115.31 123.18 1wwx h LEU 11 Ca -0.48 0.17 0.10 0.00 0.13 0.00 0.00 57.88 57.80 1wwx h LEU 11 Cb 1.17 0.47 -0.05 0.00 -0.53 0.00 0.00 40.66 41.72 1wwx h LEU 11 CO 0.56 -0.34 0.51 4.11 -0.13 0.00 0.00 178.44 183.15 1wwx h TRP 12 N -0.33 0.74 -0.09 1.25 5.08 -1.96 -0.59 115.95 120.05 1wwx h TRP 12 Ca 0.13 0.02 -0.17 0.00 1.08 0.00 0.00 58.89 59.95 1wwx h TRP 12 Cb 0.54 -0.24 -0.01 0.00 -3.00 0.00 0.00 29.16 26.46 1wwx h TRP 12 CO -0.48 0.34 -0.68 0.93 -1.28 0.00 0.00 178.44 177.27 1wwx h GLU 13 N 0.68 0.38 -0.12 0.12 5.08 -1.35 -2.14 114.58 117.23 1wwx h GLU 13 Ca 0.36 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1wwx h GLU 13 Cb 0.48 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1wwx h GLU 13 CO -0.13 0.92 0.03 0.35 -1.00 0.00 0.00 179.01 179.18 1wwx h PHE 14 N 0.27 0.21 0.00 4.33 3.04 0.13 0.15 116.94 125.06 1wwx h PHE 14 Ca -0.02 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.91 1wwx h PHE 14 Cb 1.24 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.69 1wwx h PHE 14 CO 0.04 0.35 0.00 -0.24 -2.02 0.00 0.00 178.31 176.44 1wwx h VAL 15 N 0.00 0.00 0.00 1.41 3.04 -1.36 -3.09 116.25 116.26 1wwx h VAL 15 Ca 0.04 -0.56 -0.05 0.00 -1.01 0.00 0.00 66.70 65.11 1wwx h VAL 15 Cb 0.25 1.53 -0.01 0.00 -2.01 0.00 0.00 31.29 31.05 1wwx h VAL 15 CO -0.00 0.00 -0.33 -0.09 -1.01 0.00 0.00 177.57 176.14 1wwx h ARG 16 N 0.00 0.00 -0.99 4.17 2.43 -1.02 -3.35 114.38 115.62 1wwx h ARG 16 Ca 0.00 0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.37 1wwx h ARG 16 Cb 0.59 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.04 1wwx h ARG 16 CO 0.00 0.80 0.62 0.22 -1.51 0.00 0.00 179.97 180.10 1wwx h ASP 17 N -1.00 0.69 -0.84 -3.80 3.58 -0.74 0.16 116.42 114.47 1wwx h ASP 17 Ca -0.08 0.09 0.14 0.00 0.42 0.00 0.00 57.03 57.60 1wwx h ASP 17 Cb 0.90 -0.04 -0.09 0.00 1.72 0.00 0.00 39.33 41.82 1wwx h ASP 17 CO -0.05 0.24 0.42 -0.07 -2.88 0.00 0.00 179.24 176.90 1wwx h LEU 18 N 0.67 0.50 -1.39 2.28 3.38 -1.67 1.12 115.31 120.21 1wwx h LEU 18 Ca 0.56 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.59 1wwx h LEU 18 Cb 1.00 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1wwx h LEU 18 CO -0.34 0.21 0.06 -0.07 0.09 0.00 0.00 178.44 178.39 1wwx h LEU 19 N 0.61 0.43 0.00 1.67 3.38 -1.10 -2.01 115.31 118.29 1wwx h LEU 19 Ca 0.46 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1wwx h LEU 19 Cb 0.64 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1wwx h LEU 19 CO -0.36 0.45 -0.79 0.18 0.09 0.00 0.00 178.44 178.00 1wwx n LEU 20 N -4.34 0.66 -4.02 1.67 4.77 0.41 -4.53 117.00 111.61 1wwx n LEU 20 Ca 0.01 0.13 -0.33 0.00 -0.03 0.00 0.00 56.01 55.79 1wwx n LEU 20 Cb 0.19 -0.15 -0.09 0.00 -2.33 0.00 0.00 43.42 41.04 1wwx n LEU 20 CO 0.37 -0.01 0.17 -0.44 -1.33 0.00 0.00 177.39 176.15 1wwx s SER 21 N -4.10 5.47 0.07 -1.43 0.01 0.36 -4.89 113.70 109.20 1wwx s SER 21 Ca 0.05 -3.76 0.17 0.00 1.31 0.00 0.00 55.95 53.72 1wwx s SER 21 Cb 0.14 -1.79 0.70 0.00 0.21 0.00 0.00 66.02 65.28 1wwx s SER 21 CO 0.75 -0.14 1.52 -0.81 0.41 0.00 0.00 173.24 174.97 1wwx n PRO 22 N 2.21 0.05 0.13 12.44 -0.04 -1.25 -1.49 135.00 147.06 1wwx n PRO 22 Ca 0.20 0.30 0.01 0.00 -0.04 0.00 0.00 63.50 63.98 1wwx n PRO 22 Cb 0.36 -1.60 0.05 0.00 -0.04 0.00 0.00 33.50 32.27 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 -3.36 114.58 114.94 1wwx h GLU 23 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 1wwx h GLU 23 Cb 0.27 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 1wwx h GLU 23 CO 0.00 0.56 -2.24 0.39 -1.00 0.00 0.00 179.01 176.72 1wwx n GLU 24 N -3.29 0.53 -2.23 2.33 -0.58 -1.00 -4.96 120.64 111.44 1wwx n GLU 24 Ca 0.01 0.15 -0.42 0.00 -0.42 0.00 0.00 57.16 56.48 1wwx n GLU 24 Cb 0.74 -1.40 -0.03 0.00 -0.57 0.00 0.00 31.44 30.17 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 -6.32 6.89 -0.67 1.62 2.47 -0.55 -4.99 114.94 113.39 1wwx s ASN 25 Ca -0.30 2.27 0.02 0.00 0.42 0.00 0.00 52.86 55.27 1wwx s ASN 25 Cb 0.09 -2.59 0.17 0.00 -1.45 0.00 0.00 41.25 37.46 1wwx s ASN 25 CO 0.47 -0.59 0.47 0.00 -3.72 0.00 0.00 177.10 173.73 1wwx n GLY 27 N 2.71 -0.33 0.10 0.00 0.00 -1.26 -4.85 105.19 101.55 1wwx n GLY 27 Ca 0.13 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.42 1.42 -4.25 -0.61 5.41 -1.26 -4.25 119.36 111.40 1wwx n ILE 28 Ca -0.12 -0.84 -0.14 0.00 1.00 0.00 0.00 62.75 62.65 1wwx n ILE 28 Cb 0.59 -0.58 -0.10 0.00 -0.71 0.00 0.00 39.64 38.84 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 -5.62 1.38 0.04 1.39 1.43 -1.26 -1.45 118.68 114.58 1wwx s LEU 29 Ca -0.11 -1.43 -0.10 0.00 -1.03 0.00 0.00 54.13 51.47 1wwx s LEU 29 Cb 0.06 0.27 0.00 0.00 0.03 0.00 0.00 46.19 46.56 1wwx s LEU 29 CO 0.82 -0.83 0.20 -1.83 0.23 0.00 0.00 176.35 174.94 1wwx s GLU 30 N -4.04 0.69 -0.51 1.70 -1.05 -0.87 -4.82 118.70 109.79 1wwx s GLU 30 Ca 0.38 -0.60 -0.17 0.00 -0.15 0.00 0.00 54.97 54.43 1wwx s GLU 30 Cb 0.07 0.29 0.08 0.00 -0.44 0.00 0.00 34.13 34.13 1wwx s GLU 30 CO 0.14 -0.20 0.51 -1.58 0.95 0.00 0.00 175.26 175.08 1wwx s TRP 31 N -2.47 3.17 -0.11 4.83 0.23 -1.26 -2.35 118.94 120.97 1wwx s TRP 31 Ca -0.06 -0.91 0.15 0.00 -2.03 0.00 0.00 56.10 53.25 1wwx s TRP 31 Cb -0.01 -3.49 -0.07 0.00 0.03 0.00 0.00 33.47 29.93 1wwx s TRP 31 CO -0.03 -0.96 1.08 0.93 0.96 0.00 0.00 176.95 178.93 1wwx h GLU 32 N 8.89 0.00 -0.60 4.98 4.39 -1.85 -3.45 114.58 126.94 1wwx h GLU 32 Ca -0.29 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.51 1wwx h GLU 32 Cb 1.10 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 29.56 1wwx h GLU 32 CO 0.96 0.43 -0.22 0.34 -1.16 0.00 0.00 179.01 179.36 1wwx s ASP 33 N -6.11 -0.96 0.26 1.42 -1.08 -1.07 -4.97 116.67 104.16 1wwx s ASP 33 Ca -0.00 -0.10 -0.01 0.00 -0.52 0.00 0.00 52.55 51.92 1wwx s ASP 33 Cb 0.08 1.46 0.35 0.00 -1.46 0.00 0.00 42.92 43.35 1wwx s ASP 33 CO 0.79 -0.15 1.73 -0.09 0.52 0.00 0.00 175.17 177.97 1wwx h ARG 34 N 7.08 0.69 -0.33 4.34 9.65 -1.86 0.73 114.38 134.67 1wwx h ARG 34 Ca -0.03 -0.22 0.03 0.00 -1.10 0.00 0.00 59.98 58.66 1wwx h ARG 34 Cb 1.19 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.68 1wwx h ARG 34 CO 0.02 0.78 0.16 0.93 2.80 0.00 0.00 179.97 184.65 1wwx h GLU 35 N 0.63 0.32 0.00 0.20 4.39 -1.96 -2.82 114.58 115.34 1wwx h GLU 35 Ca 0.11 -0.02 -0.19 0.00 0.34 0.00 0.00 59.36 59.60 1wwx h GLU 35 Cb 0.55 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 1wwx h GLU 35 CO 0.03 0.21 -1.16 1.96 -1.16 0.00 0.00 179.01 178.89 1wwx h GLN 36 N 0.33 0.00 0.00 2.33 4.20 -1.95 -3.48 115.11 116.54 1wwx h GLN 36 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1wwx h GLN 36 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1wwx h GLN 36 CO -0.10 0.58 0.00 0.41 -0.67 0.00 0.00 178.83 179.04 1wwx n GLY 37 N 1.38 1.24 3.83 3.46 0.00 0.23 -4.82 105.19 110.51 1wwx n GLY 37 Ca -0.06 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 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 4.87 -0.01 -0.61 1.01 0.06 -2.48 121.20 122.04 1wwx s ILE 38 Ca 0.00 0.94 -0.13 0.00 0.00 0.00 0.00 60.65 61.46 1wwx s ILE 38 Cb 0.00 -3.78 0.02 0.00 0.01 0.00 0.00 42.46 38.71 1wwx s ILE 38 CO 0.00 0.43 0.26 0.72 0.00 0.00 0.00 174.94 176.35 1wwx s PHE 39 N -1.25 -0.11 0.06 3.97 -0.71 0.09 -2.49 117.98 117.53 1wwx s PHE 39 Ca 0.31 0.14 0.05 0.00 -1.04 0.00 0.00 56.93 56.40 1wwx s PHE 39 Cb -0.17 0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.66 1wwx s PHE 39 CO 0.18 -0.36 -0.07 0.50 -1.34 0.00 0.00 175.22 174.12 1wwx s ARG 40 N -1.37 2.38 -1.09 1.99 3.52 -0.99 -0.81 118.95 122.59 1wwx s ARG 40 Ca -0.14 -0.86 -0.13 0.00 -0.13 0.00 0.00 55.73 54.47 1wwx s ARG 40 Cb -0.06 -2.43 0.20 0.00 -1.56 0.00 0.00 34.95 31.11 1wwx s ARG 40 CO 0.03 0.55 1.20 0.08 -0.81 0.00 0.00 175.30 176.36 1wwx s VAL 41 N -1.14 5.36 0.20 7.11 1.01 0.74 -2.05 120.40 131.63 1wwx s VAL 41 Ca 0.20 -2.70 -0.12 0.00 0.00 0.00 0.00 61.98 59.37 1wwx s VAL 41 Cb -0.11 -4.74 0.16 0.00 0.00 0.00 0.00 36.38 31.68 1wwx s VAL 41 CO 0.12 -1.39 1.68 0.58 0.00 0.00 0.00 175.10 176.09 1wwx h VAL 42 N 4.55 0.59 -3.69 2.92 2.07 -1.54 -3.35 116.25 117.80 1wwx h VAL 42 Ca 0.22 -0.06 -0.69 0.00 0.82 0.00 0.00 66.70 67.00 1wwx h VAL 42 Cb 0.92 0.41 -0.33 0.00 -1.52 0.00 0.00 31.29 30.77 1wwx h VAL 42 CO 1.09 0.03 -0.66 -0.54 0.02 0.00 0.00 177.57 177.51 1wwx s LYS 43 N -6.14 2.28 0.16 1.57 1.02 -0.69 -4.95 119.74 113.00 1wwx s LYS 43 Ca -0.13 -1.43 0.11 0.00 0.02 0.00 0.00 55.97 54.53 1wwx s LYS 43 Cb 0.17 -3.30 -0.11 0.00 -0.52 0.00 0.00 37.83 34.08 1wwx s LYS 43 CO 0.73 -0.75 1.26 0.66 -0.92 0.00 0.00 175.35 176.33 1wwx h SER 44 N 8.00 0.00 0.82 2.83 4.64 -1.87 -2.55 113.55 125.42 1wwx h SER 44 Ca -0.18 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.90 1wwx h SER 44 Cb 1.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 1wwx h SER 44 CO 0.58 0.79 -1.14 1.05 -0.87 0.00 0.00 176.83 177.24 1wwx h GLU 45 N 0.00 0.11 0.09 4.77 4.11 -1.95 -3.14 114.58 118.57 1wwx h GLU 45 Ca -0.04 -0.19 -0.26 0.00 0.07 0.00 0.00 59.36 58.94 1wwx h GLU 45 Cb 1.64 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.96 1wwx h GLU 45 CO 0.10 1.07 -1.15 0.00 0.07 0.00 0.00 179.01 179.10 1wwx h ALA 46 N 0.82 0.18 -0.04 1.06 0.00 -1.98 -2.37 119.26 116.93 1wwx h ALA 46 Ca -0.08 -0.84 -0.00 0.00 0.00 0.00 0.00 54.91 53.99 1wwx h ALA 46 Cb 1.87 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 1wwx h ALA 46 CO 0.16 0.95 0.02 1.25 0.00 0.00 0.00 179.25 181.62 1wwx h LEU 47 N 0.10 0.06 -0.35 0.00 5.85 -1.54 -1.05 115.31 118.38 1wwx h LEU 47 Ca -0.11 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.34 1wwx h LEU 47 Cb 1.86 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.86 1wwx h LEU 47 CO 0.19 0.19 -0.26 0.00 -0.34 0.00 0.00 178.44 178.22 1wwx h ALA 48 N 0.87 0.50 0.01 1.25 0.00 -1.65 -1.51 119.26 118.73 1wwx h ALA 48 Ca 0.01 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.55 1wwx h ALA 48 Cb 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1wwx h ALA 48 CO -0.00 0.50 -0.14 0.87 0.00 0.00 0.00 179.25 180.48 1wwx h LYS 49 N 0.57 -0.23 -0.34 0.00 1.57 -1.36 0.16 116.57 116.95 1wwx h LYS 49 Ca 0.07 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1wwx h LYS 49 Cb 0.83 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1wwx h LYS 49 CO 0.07 -0.15 0.11 0.52 -0.57 0.00 0.00 179.45 179.42 1wwx h MET 50 N -0.24 0.52 0.25 3.15 2.86 -1.21 -3.05 114.93 117.21 1wwx h MET 50 Ca 0.04 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1wwx h MET 50 Cb 0.29 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1wwx h MET 50 CO -0.13 0.55 -0.27 2.35 1.06 0.00 0.00 176.91 180.47 1wwx h TRP 51 N 0.39 -0.72 -0.96 -0.22 -0.00 -1.00 -2.40 115.95 111.04 1wwx h TRP 51 Ca 0.11 0.01 0.29 0.00 -0.00 0.00 0.00 58.89 59.29 1wwx h TRP 51 Cb 0.25 0.28 -0.14 0.00 -0.00 0.00 0.00 29.16 29.54 1wwx h TRP 51 CO 0.01 -0.39 0.47 0.78 -0.00 0.00 0.00 178.44 179.30 1wwx h GLY 52 N -0.56 1.83 1.91 2.65 0.00 -0.65 0.86 103.07 109.11 1wwx h GLY 52 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1wwx h GLY 52 CO -0.07 -0.43 0.06 1.46 0.00 0.00 0.00 176.54 177.56 1wwx h GLN 53 N 0.32 0.12 -0.21 4.80 1.08 -1.32 0.46 115.11 120.35 1wwx h GLN 53 Ca 0.67 -0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 57.72 1wwx h GLN 53 Cb 1.45 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.84 1wwx h GLN 53 CO -0.61 0.08 -0.46 0.00 -0.95 0.00 0.00 178.83 176.89 1wwx h ARG 54 N 0.12 0.55 -0.01 1.46 2.47 0.84 -2.82 114.38 116.99 1wwx h ARG 54 Ca 0.03 -0.30 0.00 0.00 -1.26 0.00 0.00 59.98 58.45 1wwx h ARG 54 Cb -0.01 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1wwx h ARG 54 CO -0.01 0.90 -0.17 1.63 0.56 0.00 0.00 179.97 182.88 1wwx n LYS 55 N -4.00 1.09 -2.31 0.04 5.02 -0.61 -4.93 118.16 112.46 1wwx n LYS 55 Ca -0.02 -0.63 -0.15 0.00 -2.02 0.00 0.00 58.31 55.48 1wwx n LYS 55 Cb 0.55 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 34.07 1wwx n LYS 55 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1wwx n LYS 56 N -0.40 -1.31 -3.94 1.97 0.00 0.05 -5.00 118.16 109.53 1wwx n LYS 56 Ca 0.14 0.75 -0.36 0.00 0.00 0.00 0.00 58.31 58.84 1wwx n LYS 56 Cb 0.35 -5.11 -0.06 0.00 0.00 0.00 0.00 35.03 30.21 1wwx n LYS 56 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1wwx s ASN 57 N -2.32 6.25 -0.22 3.14 2.47 -0.59 -5.00 114.94 118.68 1wwx s ASN 57 Ca 0.01 0.39 0.15 0.00 0.42 0.00 0.00 52.86 53.83 1wwx s ASN 57 Cb -0.00 -1.98 0.70 0.00 -1.45 0.00 0.00 41.25 38.52 1wwx s ASN 57 CO 0.01 0.36 1.62 0.47 -3.72 0.00 0.00 177.10 175.84 1wwx n ASP 58 N 1.64 4.93 -1.49 -4.21 8.00 -1.26 -4.32 116.55 119.84 1wwx n ASP 58 Ca -0.17 -3.00 0.04 0.00 0.71 0.00 0.00 54.79 52.37 1wwx n ASP 58 Cb 0.54 -0.63 0.05 0.00 -0.02 0.00 0.00 41.12 41.05 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 0.11 0.36 -2.83 -1.24 1.74 -1.26 -5.09 116.66 108.44 1wwx n ARG 59 Ca 0.26 -2.29 -0.40 0.00 -0.77 0.00 0.00 57.85 54.65 1wwx n ARG 59 Cb 1.09 -0.34 -0.06 0.00 -1.02 0.00 0.00 32.46 32.13 1wwx n ARG 59 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1wwx s MET 60 N -0.70 4.75 -0.28 5.56 1.75 -1.26 -4.97 119.30 124.14 1wwx s MET 60 Ca 0.34 1.36 -0.25 0.00 -1.25 0.00 0.00 55.69 55.90 1wwx s MET 60 Cb 0.38 -3.28 0.11 0.00 2.84 0.00 0.00 34.83 34.89 1wwx s MET 60 CO -0.15 0.53 0.99 -0.08 -0.65 0.00 0.00 175.02 175.66 1wwx s THR 61 N -1.11 0.00 0.25 10.11 -1.32 -1.26 -4.70 115.64 117.60 1wwx s THR 61 Ca 0.39 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.89 1wwx s THR 61 Cb -0.25 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.07 1wwx s THR 61 CO 0.30 0.00 1.24 0.00 -2.21 0.00 0.00 174.62 173.95 1wwx n TYR 62 N 2.28 0.52 -0.25 9.09 9.36 -1.26 0.16 117.16 137.06 1wwx n TYR 62 Ca -0.13 0.95 0.06 0.00 3.32 0.00 0.00 57.90 62.10 1wwx n TYR 62 Cb 0.56 -1.10 0.18 0.00 -0.63 0.00 0.00 39.34 38.34 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 0.20 0.09 2.98 4.81 -1.96 0.21 114.58 120.91 1wwx h GLU 63 Ca 0.49 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.52 1wwx h GLU 63 Cb 1.01 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1wwx h GLU 63 CO -0.74 0.13 -0.90 0.87 -0.73 0.00 0.00 179.01 177.64 1wwx h LYS 64 N 0.20 0.19 -0.83 1.92 1.57 0.12 -3.35 116.57 116.40 1wwx h LYS 64 Ca 0.42 -0.33 0.19 0.00 -1.87 0.00 0.00 60.65 59.06 1wwx h LYS 64 Cb 0.74 0.12 -0.12 0.00 0.08 0.00 0.00 32.23 33.05 1wwx h LYS 64 CO -0.57 1.16 0.29 1.25 -0.57 0.00 0.00 179.45 181.02 1wwx h LEU 65 N -0.53 0.19 -1.61 2.94 6.46 -0.05 0.35 115.31 123.06 1wwx h LEU 65 Ca -0.19 0.15 0.23 0.00 -0.12 0.00 0.00 57.88 57.95 1wwx h LEU 65 Cb 1.53 0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 41.55 1wwx h LEU 65 CO 0.06 -0.01 0.62 0.77 -0.62 0.00 0.00 178.44 179.25 1wwx h SER 66 N 0.35 0.31 -0.94 1.25 4.64 -0.74 -1.19 113.55 117.23 1wwx h SER 66 Ca 0.49 0.04 0.28 0.00 -0.47 0.00 0.00 61.79 62.13 1wwx h SER 66 Cb 0.89 -0.02 -0.16 0.00 -0.31 0.00 0.00 62.40 62.80 1wwx h SER 66 CO -0.52 0.11 0.20 0.08 -0.87 0.00 0.00 176.83 175.83 1wwx h ARG 67 N 0.31 0.09 -0.10 4.77 0.11 -0.45 1.03 114.38 120.15 1wwx h ARG 67 Ca 0.48 -0.01 -0.16 0.00 0.10 0.00 0.00 59.98 60.39 1wwx h ARG 67 Cb 1.35 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.40 1wwx h ARG 67 CO -0.15 0.06 -0.63 0.00 0.10 0.00 0.00 179.97 179.35 1wwx h ALA 68 N 1.90 0.75 -0.49 0.08 0.00 -1.36 -0.27 119.26 119.87 1wwx h ALA 68 Ca 0.62 -0.55 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1wwx h ALA 68 Cb 1.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1wwx h ALA 68 CO -0.78 0.73 -0.09 -0.07 0.00 0.00 0.00 179.25 179.04 1wwx h LEU 69 N 0.26 0.93 0.00 0.00 3.38 0.88 -0.33 115.31 120.43 1wwx h LEU 69 Ca -0.01 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1wwx h LEU 69 Cb 1.16 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1wwx h LEU 69 CO 0.10 1.06 -0.27 0.03 0.09 0.00 0.00 178.44 179.45 1wwx h ARG 70 N 0.78 0.00 0.00 1.13 2.47 -0.51 -3.23 114.38 115.02 1wwx h ARG 70 Ca 0.13 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 1wwx h ARG 70 Cb 0.64 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.96 1wwx h ARG 70 CO 0.04 0.00 -0.77 -0.92 0.56 0.00 0.00 179.97 178.88 1wwx h TYR 71 N 0.00 0.00 0.00 3.04 5.03 -0.81 -3.30 116.97 120.94 1wwx h TYR 71 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1wwx h TYR 71 Cb 0.88 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.16 1wwx h TYR 71 CO 0.00 0.00 0.00 0.66 -1.32 0.00 0.00 178.16 177.50 1wwx n TYR 72 N -2.47 0.96 0.88 -3.82 4.01 -0.15 -3.09 117.16 113.48 1wwx n TYR 72 Ca 0.02 0.29 0.08 0.00 -0.16 0.00 0.00 57.90 58.13 1wwx n TYR 72 Cb 0.50 -0.97 0.44 0.00 -0.31 0.00 0.00 39.34 39.00 1wwx n TYR 72 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1wwx n TYR 73 N -2.29 0.00 -0.10 -0.72 4.01 -1.24 -0.96 117.16 115.86 1wwx n TYR 73 Ca 0.05 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.64 1wwx n TYR 73 Cb 0.41 -0.13 -0.14 0.00 -0.31 0.00 0.00 39.34 39.17 1wwx n TYR 73 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1wwx n LYS 74 N -1.13 0.67 0.10 -0.72 5.02 -1.18 -4.41 118.16 116.51 1wwx n LYS 74 Ca 0.10 0.12 0.12 0.00 -2.02 0.00 0.00 58.31 56.63 1wwx n LYS 74 Cb 0.09 -1.55 0.01 0.00 -0.02 0.00 0.00 35.03 33.55 1wwx n LYS 74 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1wwx n THR 75 N -3.11 0.59 0.00 -0.18 -2.24 -1.02 -4.96 114.28 103.36 1wwx n THR 75 Ca -0.39 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 1wwx n THR 75 Cb 1.05 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 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 1.20 1.82 0.31 3.38 0.00 -0.13 -4.83 105.19 106.94 1wwx n GLY 76 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 0.36 -2.04 -0.61 1.08 -1.86 -3.25 117.51 111.19 1wwx h ILE 77 Ca 0.00 -0.09 -0.59 0.00 -0.39 0.00 0.00 64.86 63.79 1wwx h ILE 77 Cb 0.00 0.07 -0.11 0.00 -3.07 0.00 0.00 36.82 33.71 1wwx h ILE 77 CO 0.00 0.05 -0.66 -0.76 -0.69 0.00 0.00 178.15 176.09 1wwx s LEU 78 N -10.60 2.91 -0.14 1.44 1.43 -1.18 -0.34 118.68 112.21 1wwx s LEU 78 Ca -0.12 -0.95 0.02 0.00 -1.03 0.00 0.00 54.13 52.05 1wwx s LEU 78 Cb 0.26 -1.33 0.01 0.00 0.03 0.00 0.00 46.19 45.16 1wwx s LEU 78 CO 0.77 -0.13 -0.20 -1.61 0.23 0.00 0.00 176.35 175.42 1wwx s GLU 79 N -3.65 2.79 0.28 1.70 0.41 0.22 -4.29 118.70 116.17 1wwx s GLU 79 Ca 0.33 -0.77 -0.30 0.00 -0.41 0.00 0.00 54.97 53.82 1wwx s GLU 79 Cb -0.02 -2.30 -0.11 0.00 -1.78 0.00 0.00 34.13 29.92 1wwx s GLU 79 CO 0.18 -0.05 1.62 0.50 -0.49 0.00 0.00 175.26 177.02 1wwx s ARG 80 N 0.92 4.12 0.06 1.61 3.52 -1.26 -3.83 118.95 124.09 1wwx s ARG 80 Ca -0.05 2.59 0.06 0.00 -0.13 0.00 0.00 55.73 58.20 1wwx s ARG 80 Cb -0.15 -3.03 -0.03 0.00 -1.56 0.00 0.00 34.95 30.19 1wwx s ARG 80 CO -0.03 -0.66 -0.17 0.08 -0.81 0.00 0.00 175.30 173.71 1wwx s VAL 81 N 0.18 1.33 -0.57 7.11 1.01 -1.26 -4.99 120.40 123.20 1wwx s VAL 81 Ca 0.65 -1.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 1wwx s VAL 81 Cb -0.48 -1.21 0.35 0.00 0.00 0.00 0.00 36.38 35.04 1wwx s VAL 81 CO 0.46 -0.02 2.07 0.47 0.00 0.00 0.00 175.10 178.08 1wwx n ASP 82 N 1.60 7.26 -4.47 3.32 8.00 -1.26 -4.93 116.55 126.07 1wwx n ASP 82 Ca -0.19 -3.54 -0.29 0.00 0.71 0.00 0.00 54.79 51.47 1wwx n ASP 82 Cb 0.54 -1.03 -0.08 0.00 -0.02 0.00 0.00 41.12 40.53 1wwx n ASP 82 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1wwx s ARG 83 N -3.13 2.05 -0.33 -1.24 0.52 -1.26 -5.12 118.95 110.44 1wwx s ARG 83 Ca 0.53 -2.28 -0.12 0.00 -0.52 0.00 0.00 55.73 53.35 1wwx s ARG 83 Cb 0.42 -1.13 -0.02 0.00 0.52 0.00 0.00 34.95 34.74 1wwx s ARG 83 CO -0.06 -0.39 0.22 0.50 0.02 0.00 0.00 175.30 175.60 1wwx s ARG 84 N -3.80 3.55 -1.67 3.54 6.06 -1.26 -4.35 118.95 121.03 1wwx s ARG 84 Ca 0.16 -0.60 -0.02 0.00 -2.50 0.00 0.00 55.73 52.76 1wwx s ARG 84 Cb 0.03 -3.76 0.00 0.00 0.06 0.00 0.00 34.95 31.28 1wwx s ARG 84 CO 0.09 -0.40 0.31 1.28 -2.50 0.00 0.00 175.30 174.08 1wwx n LEU 85 N 5.09 -2.31 -3.93 -0.88 4.32 -1.26 -4.89 117.00 113.12 1wwx n LEU 85 Ca -0.13 -0.15 -0.30 0.00 -0.02 0.00 0.00 56.01 55.40 1wwx n LEU 85 Cb 0.50 -2.96 -0.15 0.00 -1.62 0.00 0.00 43.42 39.19 1wwx n LEU 85 CO 0.36 0.01 -0.39 -0.69 -1.22 0.00 0.00 177.39 175.46 1wwx s VAL 86 N -3.11 1.63 0.44 4.08 1.01 -1.26 -0.19 120.40 123.00 1wwx s VAL 86 Ca 0.16 -1.52 0.07 0.00 0.00 0.00 0.00 61.98 60.68 1wwx s VAL 86 Cb -0.07 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 1wwx s VAL 86 CO 0.19 -0.30 0.34 -0.31 0.00 0.00 0.00 175.10 175.02 1wwx s TYR 87 N 1.30 2.50 -0.18 5.22 1.51 0.01 -4.59 117.35 123.13 1wwx s TYR 87 Ca 0.00 -0.57 -0.09 0.00 -1.01 0.00 0.00 57.07 55.40 1wwx s TYR 87 Cb -0.19 -2.08 0.07 0.00 -0.11 0.00 0.00 41.96 39.65 1wwx s TYR 87 CO -0.10 -0.11 0.42 0.21 -1.11 0.00 0.00 175.55 174.86 1wwx s LYS 88 N -4.10 0.38 0.19 -0.62 2.20 -1.25 -0.73 119.74 115.81 1wwx s LYS 88 Ca 0.44 0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 56.59 1wwx s LYS 88 Cb -0.01 0.04 -0.09 0.00 -1.51 0.00 0.00 37.83 36.26 1wwx s LYS 88 CO 0.26 -0.18 1.36 -0.06 -0.36 0.00 0.00 175.35 176.37 1wwx s PHE 89 N 1.64 3.21 0.00 4.03 0.08 -1.04 0.72 117.98 126.62 1wwx s PHE 89 Ca -0.08 1.12 0.00 0.00 0.12 0.00 0.00 56.93 58.09 1wwx s PHE 89 Cb -0.09 -3.67 0.00 0.00 -0.57 0.00 0.00 43.02 38.69 1wwx s PHE 89 CO -0.13 -2.16 0.00 0.41 -0.10 0.00 0.00 175.22 173.24 1wwx n GLY 90 N 2.60 -0.23 0.11 4.36 0.00 0.54 -4.71 105.19 107.86 1wwx n GLY 90 Ca 0.08 -1.49 0.09 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.29 1.61 2.10 -1.83 -3.34 116.57 114.83 1wwx h LYS 91 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 1wwx h LYS 91 Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 1wwx h LYS 91 CO 0.00 0.06 -0.09 -0.91 -2.00 0.00 0.00 179.45 176.50 1wwx h ASN 92 N 0.00 0.45 -4.28 7.07 2.35 -1.84 -3.44 115.58 115.90 1wwx h ASN 92 Ca -0.03 -0.10 -0.51 0.00 -0.55 0.00 0.00 56.30 55.10 1wwx h ASN 92 Cb 1.12 -0.12 0.11 0.00 0.05 0.00 0.00 38.32 39.48 1wwx h ASN 92 CO 0.01 0.59 0.35 0.00 -1.65 0.00 0.00 177.43 176.72 1wwx s ALA 93 N -4.79 2.42 0.23 -0.83 0.00 -1.25 -4.91 121.76 112.62 1wwx s ALA 93 Ca -0.07 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.22 1wwx s ALA 93 Cb 0.15 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 1wwx s ALA 93 CO 0.77 -1.47 0.19 -3.38 0.00 0.00 0.00 175.76 171.86 1wwx s HIS 94 N -2.74 1.25 0.00 0.00 -3.43 -1.26 -4.87 115.29 104.24 1wwx s HIS 94 Ca 0.62 -1.41 0.00 0.00 -0.80 0.00 0.00 55.06 53.48 1wwx s HIS 94 Cb -0.17 -0.54 0.00 0.00 -1.43 0.00 0.00 32.58 30.43 1wwx s HIS 94 CO 0.50 -0.72 0.00 0.41 -2.00 0.00 0.00 174.74 172.93 1wwx n GLY 95 N -0.36 2.52 0.23 -1.38 0.00 -1.26 -4.69 105.19 100.25 1wwx n GLY 95 Ca 0.03 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 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 1.08 -3.67 1.61 5.08 -1.98 -3.45 115.95 114.62 1wwx h TRP 96 Ca 0.00 -0.45 -0.57 0.00 1.08 0.00 0.00 58.89 58.95 1wwx h TRP 96 Cb 0.00 -0.18 0.15 0.00 -3.00 0.00 0.00 29.16 26.13 1wwx h TRP 96 CO 0.00 1.29 0.30 1.04 -1.28 0.00 0.00 178.44 179.79 1wwx n GLN 97 N -3.95 1.23 -3.26 0.12 6.02 -1.26 -5.00 117.38 111.27 1wwx n GLN 97 Ca -0.07 0.46 -0.20 0.00 -0.01 0.00 0.00 57.00 57.18 1wwx n GLN 97 Cb 0.71 -2.30 -0.07 0.00 1.02 0.00 0.00 30.24 29.60 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 -2.73 0.84 -0.30 -1.09 2.12 -1.26 -5.08 118.70 111.21 1wwx s GLU 98 Ca 0.73 -1.54 -0.17 0.00 0.36 0.00 0.00 54.97 54.35 1wwx s GLU 98 Cb -0.44 -0.96 0.20 0.00 0.26 0.00 0.00 34.13 33.19 1wwx s GLU 98 CO 0.49 -1.32 1.24 0.16 -0.54 0.00 0.00 175.26 175.29 1wwx s ASP 99 N 0.64 -0.12 -1.22 -1.70 -4.77 -1.26 -5.00 116.67 103.23 1wwx s ASP 99 Ca 0.27 0.18 -0.04 0.00 -3.30 0.00 0.00 52.55 49.66 1wwx s ASP 99 Cb -0.04 1.09 -0.01 0.00 -1.09 0.00 0.00 42.92 42.86 1wwx s ASP 99 CO -0.11 -0.03 0.79 1.17 0.70 0.00 0.00 175.17 177.70 1wwx n LYS 100 N 3.71 -4.20 -0.09 2.11 4.81 -1.26 -4.94 118.16 118.31 1wwx n LYS 100 Ca -0.13 0.67 -0.23 0.00 -0.87 0.00 0.00 58.31 57.75 1wwx n LYS 100 Cb 0.56 -5.24 -0.12 0.00 0.02 0.00 0.00 35.03 30.25 1wwx n LYS 100 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1wwx n LEU 101 N -4.07 2.30 -4.55 3.14 4.77 -1.26 -4.79 117.00 112.54 1wwx n LEU 101 Ca -0.23 0.24 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 1wwx n LEU 101 Cb 0.66 -0.96 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 1wwx n LEU 101 CO 0.65 0.63 1.31 -0.55 -1.33 0.00 0.00 177.39 178.10 1wwx s SER 102 N -7.01 5.89 0.00 -1.43 0.15 -1.26 -4.88 113.70 105.17 1wwx s SER 102 Ca -0.31 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1wwx s SER 102 Cb 0.09 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1wwx s SER 102 CO 0.61 -2.00 0.00 0.61 1.20 0.00 0.00 173.24 173.66 1wwx n GLY 103 N 5.47 2.61 0.00 9.45 0.00 -1.26 -4.98 105.19 116.48 1wwx n GLY 103 Ca 0.09 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.64 0.41 -1.30 1.61 -0.04 -1.26 -4.87 135.00 128.90 1wwx n PRO 104 Ca 0.00 0.04 -0.51 0.00 -0.04 0.00 0.00 63.50 62.99 1wwx n PRO 104 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 1wwx n PRO 104 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wwx n SER 105 N -1.08 0.90 -4.11 3.54 3.41 -1.26 -4.92 113.62 110.10 1wwx n SER 105 Ca 0.10 0.89 -0.19 0.00 -0.26 0.00 0.00 58.87 59.41 1wwx n SER 105 Cb 0.07 -0.66 -0.13 0.00 -0.26 0.00 0.00 64.21 63.23 1wwx n SER 105 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wwx s SER 106 N 2.27 1.43 0.00 4.04 1.04 -1.26 -4.84 113.70 116.38 1wwx s SER 106 Ca 0.79 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.79 1wwx s SER 106 Cb -1.12 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 64.92 1wwx s SER 106 CO 0.61 0.00 0.00 0.61 0.98 0.00 0.00 173.24 175.44