#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 5.42 -0.11 1.61 0.15 -1.26 -5.04 113.70 114.47 1wwx s SER 2 Ca 0.00 -2.66 -0.01 0.00 0.70 0.00 0.00 55.95 53.97 1wwx s SER 2 Cb 0.00 -1.90 0.03 0.00 -1.71 0.00 0.00 66.02 62.45 1wwx s SER 2 CO 0.00 -0.43 -0.03 -0.44 1.20 0.00 0.00 173.24 173.54 1wwx s SER 3 N 1.12 2.12 -0.49 5.45 0.01 -1.26 -5.04 113.70 115.62 1wwx s SER 3 Ca 0.15 -0.33 0.05 0.00 1.31 0.00 0.00 55.95 57.13 1wwx s SER 3 Cb -0.20 -0.67 0.40 0.00 0.21 0.00 0.00 66.02 65.76 1wwx s SER 3 CO -0.04 -0.18 1.13 0.61 0.41 0.00 0.00 173.24 175.18 1wwx n GLY 4 N 5.03 5.92 2.79 3.44 0.00 -1.26 -4.90 105.19 116.20 1wwx n GLY 4 Ca -0.10 -2.76 -0.15 0.00 0.00 0.00 0.00 46.02 43.01 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 -3.38 0.88 0.00 1.61 0.15 -1.26 -4.87 113.70 106.82 1wwx s SER 5 Ca 0.48 -1.57 0.00 0.00 0.70 0.00 0.00 55.95 55.56 1wwx s SER 5 Cb 0.38 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 65.37 1wwx s SER 5 CO -0.19 -0.24 0.00 -0.24 1.20 0.00 0.00 173.24 173.77 1wwx n SER 6 N 4.17 0.00 -2.07 5.45 2.88 -1.26 -5.01 113.62 117.78 1wwx n SER 6 Ca 0.12 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.63 1wwx n SER 6 Cb 0.46 0.34 0.07 0.00 -0.75 0.00 0.00 64.21 64.33 1wwx n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wwx n GLY 7 N -1.34 1.19 3.51 0.46 0.00 -1.26 -5.09 105.19 102.66 1wwx n GLY 7 Ca 0.00 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.89 6.25 -0.17 1.61 0.01 -1.26 -4.73 113.70 114.53 1wwx s SER 8 Ca 0.06 -0.54 0.11 0.00 1.31 0.00 0.00 55.95 56.89 1wwx s SER 8 Cb 0.28 -2.47 0.28 0.00 0.21 0.00 0.00 66.02 64.31 1wwx s SER 8 CO -0.08 -1.48 1.25 -0.24 0.41 0.00 0.00 173.24 173.09 1wwx n SER 9 N 8.14 -0.59 -3.75 2.44 2.88 -1.26 -5.09 113.62 116.38 1wwx n SER 9 Ca 0.01 -2.09 -0.14 0.00 -1.33 0.00 0.00 58.87 55.33 1wwx n SER 9 Cb 0.47 0.27 -0.14 0.00 -0.75 0.00 0.00 64.21 64.06 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 -0.46 -0.15 0.06 0.66 3.76 -1.26 -5.06 115.29 112.84 1wwx s HIS 10 Ca 0.11 0.45 -0.28 0.00 -0.15 0.00 0.00 55.06 55.19 1wwx s HIS 10 Cb 0.26 -0.09 -0.17 0.00 1.11 0.00 0.00 32.58 33.70 1wwx s HIS 10 CO -0.08 -0.15 1.55 1.25 -0.85 0.00 0.00 174.74 176.45 1wwx h LEU 11 N 7.16 -0.40 -1.97 0.89 5.85 -1.99 -2.37 115.31 122.47 1wwx h LEU 11 Ca -0.42 -0.05 0.49 0.00 0.84 0.00 0.00 57.88 58.74 1wwx h LEU 11 Cb 1.14 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 42.21 1wwx h LEU 11 CO 0.43 -0.20 1.23 4.11 -0.34 0.00 0.00 178.44 183.67 1wwx h TRP 12 N -0.58 0.00 0.12 1.25 5.08 -1.97 1.48 115.95 121.32 1wwx h TRP 12 Ca -0.05 0.00 -0.30 0.00 1.08 0.00 0.00 58.89 59.63 1wwx h TRP 12 Cb 0.43 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.59 1wwx h TRP 12 CO -0.03 0.00 -1.45 0.93 -1.28 0.00 0.00 178.44 176.61 1wwx h GLU 13 N 0.00 0.25 -0.11 0.12 5.08 -1.87 -2.43 114.58 115.62 1wwx h GLU 13 Ca 0.80 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 58.72 1wwx h GLU 13 Cb 3.26 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 32.66 1wwx h GLU 13 CO -0.01 1.13 -0.00 0.35 -1.00 0.00 0.00 179.01 179.48 1wwx h PHE 14 N 0.07 0.20 -0.17 4.33 3.04 0.25 -1.47 116.94 123.19 1wwx h PHE 14 Ca -0.21 -0.04 -0.17 0.00 3.98 0.00 0.00 57.97 61.53 1wwx h PHE 14 Cb 2.00 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 40.45 1wwx h PHE 14 CO 0.06 0.44 -0.59 -0.24 -2.02 0.00 0.00 178.31 175.96 1wwx h VAL 15 N -0.09 1.33 -0.61 1.41 3.04 -1.23 -3.18 116.25 116.91 1wwx h VAL 15 Ca 0.03 -1.86 -0.03 0.00 -1.01 0.00 0.00 66.70 63.83 1wwx h VAL 15 Cb 0.36 1.83 -0.03 0.00 -2.01 0.00 0.00 31.29 31.45 1wwx h VAL 15 CO 0.01 0.58 0.28 -0.09 -1.01 0.00 0.00 177.57 177.33 1wwx h ARG 16 N 0.42 0.89 -0.00 4.17 2.43 -1.40 -3.05 114.38 117.84 1wwx h ARG 16 Ca -0.00 -0.14 0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1wwx h ARG 16 Cb 1.15 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.50 1wwx h ARG 16 CO 0.11 0.73 -0.26 0.22 -1.51 0.00 0.00 179.97 179.27 1wwx h ASP 17 N 0.84 -0.76 -0.94 -3.80 3.58 -1.25 -1.84 116.42 112.25 1wwx h ASP 17 Ca 0.21 0.10 0.29 0.00 0.42 0.00 0.00 57.03 58.05 1wwx h ASP 17 Cb 0.15 0.31 -0.16 0.00 1.72 0.00 0.00 39.33 41.35 1wwx h ASP 17 CO -0.02 -0.32 0.28 -0.07 -2.88 0.00 0.00 179.24 176.22 1wwx h LEU 18 N -0.39 0.00 -1.29 2.28 4.07 -1.53 1.96 115.31 120.41 1wwx h LEU 18 Ca 0.06 0.23 -0.02 0.00 0.08 0.00 0.00 57.88 58.23 1wwx h LEU 18 Cb 0.48 0.30 -0.03 0.00 1.08 0.00 0.00 40.66 42.50 1wwx h LEU 18 CO -0.23 -0.25 0.23 -0.07 -1.08 0.00 0.00 178.44 177.04 1wwx h LEU 19 N 0.14 0.65 -1.22 1.67 3.38 -1.34 -1.90 115.31 116.69 1wwx h LEU 19 Ca 0.64 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.54 1wwx h LEU 19 Cb 1.40 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1wwx h LEU 19 CO -0.73 0.57 -0.24 0.18 0.09 0.00 0.00 178.44 178.30 1wwx n LEU 20 N -4.37 2.14 -3.84 1.67 4.77 0.38 -4.63 117.00 113.12 1wwx n LEU 20 Ca 0.04 -0.74 -0.28 0.00 -0.03 0.00 0.00 56.01 55.00 1wwx n LEU 20 Cb 0.14 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.09 1wwx n LEU 20 CO 0.38 0.38 -0.09 -0.44 -1.33 0.00 0.00 177.39 176.29 1wwx s SER 21 N -2.28 4.37 0.00 -1.43 0.01 0.57 -4.91 113.70 110.03 1wwx s SER 21 Ca 0.24 -3.65 0.15 0.00 1.31 0.00 0.00 55.95 54.00 1wwx s SER 21 Cb 0.19 -1.48 0.82 0.00 0.21 0.00 0.00 66.02 65.76 1wwx s SER 21 CO 0.45 -0.11 1.38 -0.81 0.41 0.00 0.00 173.24 174.56 1wwx n PRO 22 N 2.22 0.32 0.03 12.44 -0.04 -1.25 -1.41 135.00 147.31 1wwx n PRO 22 Ca 0.19 0.09 -0.03 0.00 -0.04 0.00 0.00 63.50 63.71 1wwx n PRO 22 Cb 0.36 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 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 -1.91 -3.40 114.58 114.62 1wwx h GLU 23 Ca 0.00 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.87 1wwx h GLU 23 Cb 0.09 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 1wwx h GLU 23 CO 0.00 0.44 -2.28 0.39 -0.73 0.00 0.00 179.01 176.82 1wwx n GLU 24 N -3.01 0.53 -1.95 1.92 -0.58 -0.97 -4.95 120.64 111.62 1wwx n GLU 24 Ca -0.10 0.17 -0.42 0.00 -0.42 0.00 0.00 57.16 56.39 1wwx n GLU 24 Cb 0.91 -1.39 -0.03 0.00 -0.57 0.00 0.00 31.44 30.36 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 -6.60 6.63 -0.69 1.62 2.47 -0.50 -4.96 114.94 112.90 1wwx s ASN 25 Ca -0.31 2.43 -0.01 0.00 0.42 0.00 0.00 52.86 55.39 1wwx s ASN 25 Cb 0.10 -2.56 0.17 0.00 -1.45 0.00 0.00 41.25 37.52 1wwx s ASN 25 CO 0.46 -0.88 0.51 0.00 -3.72 0.00 0.00 177.10 173.47 1wwx n GLY 27 N 2.91 -0.32 0.08 0.00 0.00 -1.26 -4.78 105.19 101.82 1wwx n GLY 27 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 1.19 -4.52 -0.61 2.04 -1.91 -3.32 117.51 110.39 1wwx h ILE 28 Ca -0.18 -2.87 -0.32 0.00 1.00 0.00 0.00 64.86 62.49 1wwx h ILE 28 Cb 1.05 2.56 -0.14 0.00 -0.74 0.00 0.00 36.82 39.55 1wwx h ILE 28 CO 0.22 0.68 -0.58 -0.76 0.00 0.00 0.00 178.15 177.71 1wwx s LEU 29 N -6.38 1.38 -0.03 1.44 1.43 -1.26 -1.65 118.68 113.61 1wwx s LEU 29 Ca -0.01 -1.49 -0.10 0.00 -1.03 0.00 0.00 54.13 51.50 1wwx s LEU 29 Cb 0.09 0.37 0.01 0.00 0.03 0.00 0.00 46.19 46.69 1wwx s LEU 29 CO 0.81 -0.88 0.23 -1.61 0.23 0.00 0.00 176.35 175.12 1wwx s GLU 30 N -3.96 0.51 -0.60 1.70 2.02 -0.26 -4.73 118.70 113.37 1wwx s GLU 30 Ca 0.39 -0.14 -0.21 0.00 0.02 0.00 0.00 54.97 55.03 1wwx s GLU 30 Cb 0.06 0.22 0.08 0.00 0.10 0.00 0.00 34.13 34.59 1wwx s GLU 30 CO 0.16 -0.12 0.83 -1.58 0.02 0.00 0.00 175.26 174.57 1wwx s TRP 31 N -1.00 2.84 0.12 1.61 0.23 -1.26 -0.58 118.94 120.90 1wwx s TRP 31 Ca -0.11 -0.62 -0.09 0.00 -2.03 0.00 0.00 56.10 53.26 1wwx s TRP 31 Cb -0.05 -4.07 -0.11 0.00 0.03 0.00 0.00 33.47 29.27 1wwx s TRP 31 CO 0.02 -1.42 1.32 0.93 0.96 0.00 0.00 176.95 178.76 1wwx h GLU 32 N 9.34 0.62 -1.16 4.98 4.39 -1.26 -3.44 114.58 128.06 1wwx h GLU 32 Ca -0.29 -0.56 0.01 0.00 0.34 0.00 0.00 59.36 58.87 1wwx h GLU 32 Cb 1.08 0.13 -0.23 0.00 -0.10 0.00 0.00 28.75 29.64 1wwx h GLU 32 CO 1.12 1.18 -0.37 -0.51 -1.16 0.00 0.00 179.01 179.27 1wwx s ASP 33 N -7.11 -1.15 0.56 1.42 1.11 -0.75 -4.96 116.67 105.80 1wwx s ASP 33 Ca -0.08 0.38 0.30 0.00 0.18 0.00 0.00 52.55 53.33 1wwx s ASP 33 Cb 0.09 1.90 1.69 0.00 1.07 0.00 0.00 42.92 47.67 1wwx s ASP 33 CO 0.89 -0.29 2.17 0.03 1.18 0.00 0.00 175.17 179.15 1wwx h ARG 34 N 8.03 0.00 0.02 8.23 2.47 -1.85 0.80 114.38 132.08 1wwx h ARG 34 Ca -0.12 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.60 1wwx h ARG 34 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1wwx h ARG 34 CO 0.21 0.06 -0.01 0.93 0.56 0.00 0.00 179.97 181.72 1wwx h GLU 35 N 0.00 -0.02 0.00 0.04 5.08 -1.96 -3.30 114.58 114.41 1wwx h GLU 35 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wwx h GLU 35 Cb 0.17 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1wwx h GLU 35 CO 0.01 0.72 0.00 1.04 -1.00 0.00 0.00 179.01 179.78 1wwx n GLN 36 N -4.70 0.26 -1.35 2.33 6.02 -1.09 -4.91 117.38 113.94 1wwx n GLN 36 Ca -0.08 0.23 -0.05 0.00 -0.01 0.00 0.00 57.00 57.09 1wwx n GLN 36 Cb 0.37 -1.82 -0.02 0.00 1.02 0.00 0.00 30.24 29.79 1wwx n GLN 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wwx n GLY 37 N 1.21 0.64 3.73 1.08 0.00 0.27 -4.72 105.19 107.40 1wwx n GLY 37 Ca 0.05 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.20 4.89 0.12 -0.61 1.01 -0.79 -3.04 121.20 120.58 1wwx s ILE 38 Ca 0.00 1.65 0.05 0.00 0.00 0.00 0.00 60.65 62.36 1wwx s ILE 38 Cb 0.00 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 1wwx s ILE 38 CO 0.00 0.27 -0.13 0.72 0.00 0.00 0.00 174.94 175.81 1wwx s PHE 39 N 0.53 1.32 0.19 3.97 -0.71 0.21 -0.72 117.98 122.78 1wwx s PHE 39 Ca 0.41 -0.61 0.10 0.00 -1.04 0.00 0.00 56.93 55.79 1wwx s PHE 39 Cb -0.19 -0.69 -0.04 0.00 -1.21 0.00 0.00 43.02 40.88 1wwx s PHE 39 CO 0.22 0.11 -0.15 0.50 -1.34 0.00 0.00 175.22 174.57 1wwx s ARG 40 N -2.92 1.87 -0.97 1.99 3.52 0.26 -0.81 118.95 121.88 1wwx s ARG 40 Ca 0.10 -1.39 -0.09 0.00 -0.13 0.00 0.00 55.73 54.22 1wwx s ARG 40 Cb -0.03 -2.03 0.25 0.00 -1.56 0.00 0.00 34.95 31.58 1wwx s ARG 40 CO 0.02 0.41 0.93 0.08 -0.81 0.00 0.00 175.30 175.93 1wwx s VAL 41 N -1.77 5.55 0.17 7.11 1.01 0.70 -1.10 120.40 132.07 1wwx s VAL 41 Ca 0.24 -3.18 -0.16 0.00 0.00 0.00 0.00 61.98 58.88 1wwx s VAL 41 Cb -0.08 -4.38 0.08 0.00 0.00 0.00 0.00 36.38 32.00 1wwx s VAL 41 CO 0.14 -1.11 1.69 0.58 0.00 0.00 0.00 175.10 176.39 1wwx h VAL 42 N 4.14 0.66 -3.41 2.92 2.07 -1.56 -3.29 116.25 117.78 1wwx h VAL 42 Ca 0.14 -0.03 -0.67 0.00 0.82 0.00 0.00 66.70 66.97 1wwx h VAL 42 Cb 0.92 0.58 -0.38 0.00 -1.52 0.00 0.00 31.29 30.89 1wwx h VAL 42 CO 0.90 0.01 -0.43 -0.54 0.02 0.00 0.00 177.57 177.53 1wwx s LYS 43 N -6.19 2.50 0.06 1.57 1.02 -0.87 -4.91 119.74 112.93 1wwx s LYS 43 Ca -0.14 -2.79 0.08 0.00 0.02 0.00 0.00 55.97 53.15 1wwx s LYS 43 Cb 0.14 -3.61 0.39 0.00 -0.52 0.00 0.00 37.83 34.23 1wwx s LYS 43 CO 0.71 -1.18 1.26 -1.13 -0.92 0.00 0.00 175.35 174.08 1wwx n SER 44 N 2.99 0.13 -0.09 2.83 3.41 -1.24 -1.12 113.62 120.52 1wwx n SER 44 Ca 0.11 0.55 -0.23 0.00 -0.26 0.00 0.00 58.87 59.04 1wwx n SER 44 Cb 0.36 -0.57 -0.12 0.00 -0.26 0.00 0.00 64.21 63.62 1wwx n SER 44 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wwx n GLU 45 N -1.66 0.61 0.22 4.33 1.02 -1.26 -4.01 120.64 119.89 1wwx n GLU 45 Ca 0.01 0.45 0.09 0.00 -0.02 0.00 0.00 57.16 57.69 1wwx n GLU 45 Cb 0.06 -1.69 0.47 0.00 -0.02 0.00 0.00 31.44 30.27 1wwx n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wwx h ALA 46 N -0.46 1.06 -0.37 0.62 0.00 -1.86 -2.03 119.26 116.22 1wwx h ALA 46 Ca -0.44 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.21 1wwx h ALA 46 Cb 1.52 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1wwx h ALA 46 CO -0.19 0.30 0.06 1.25 0.00 0.00 0.00 179.25 180.67 1wwx h LEU 47 N 0.00 0.58 0.03 0.00 5.85 -1.30 -2.02 115.31 118.45 1wwx h LEU 47 Ca -0.00 -0.26 -0.12 0.00 0.84 0.00 0.00 57.88 58.34 1wwx h LEU 47 Cb 0.71 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.60 1wwx h LEU 47 CO 0.03 0.69 -0.50 0.00 -0.34 0.00 0.00 178.44 178.32 1wwx h ALA 48 N 0.91 0.02 -0.76 1.25 0.00 -1.67 -2.71 119.26 116.31 1wwx h ALA 48 Ca 0.11 -0.56 0.14 0.00 0.00 0.00 0.00 54.91 54.60 1wwx h ALA 48 Cb 0.35 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 1wwx h ALA 48 CO 0.01 0.25 0.30 -0.22 0.00 0.00 0.00 179.25 179.59 1wwx h LYS 49 N -0.34 0.43 -0.09 0.00 3.64 -1.40 0.54 116.57 119.36 1wwx h LYS 49 Ca -0.07 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1wwx h LYS 49 Cb 1.27 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1wwx h LYS 49 CO 0.10 0.29 -0.06 0.52 -2.27 0.00 0.00 179.45 178.02 1wwx h MET 50 N 0.44 0.21 0.02 1.90 2.86 -1.45 -3.08 114.93 115.84 1wwx h MET 50 Ca 0.42 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.99 1wwx h MET 50 Cb 0.63 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.24 1wwx h MET 50 CO -0.40 0.60 -0.31 2.35 1.06 0.00 0.00 176.91 180.20 1wwx h TRP 51 N -0.18 -0.85 -0.91 -0.22 -0.00 -1.00 -1.91 115.95 110.87 1wwx h TRP 51 Ca 0.02 0.03 0.22 0.00 -0.00 0.00 0.00 58.89 59.15 1wwx h TRP 51 Cb 0.54 0.37 -0.12 0.00 -0.00 0.00 0.00 29.16 29.96 1wwx h TRP 51 CO 0.08 -0.41 0.44 0.78 -0.00 0.00 0.00 178.44 179.33 1wwx h GLY 52 N -0.47 1.60 0.89 2.65 0.00 -0.98 0.39 103.07 107.15 1wwx h GLY 52 Ca 0.06 -0.21 0.14 0.00 0.00 0.00 0.00 47.33 47.32 1wwx h GLY 52 CO -0.25 -0.24 0.41 1.46 0.00 0.00 0.00 176.54 177.93 1wwx h GLN 53 N 0.46 0.16 0.07 4.80 1.08 -1.25 0.98 115.11 121.42 1wwx h GLN 53 Ca 0.57 -0.01 -0.25 0.00 -1.45 0.00 0.00 58.65 57.51 1wwx h GLN 53 Cb 1.05 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 1wwx h GLN 53 CO -0.50 0.11 -1.10 0.00 -0.95 0.00 0.00 178.83 176.39 1wwx h ARG 54 N 0.16 0.28 -0.36 1.46 2.47 -0.14 -3.20 114.38 115.05 1wwx h ARG 54 Ca 0.28 -0.40 0.00 0.00 -1.26 0.00 0.00 59.98 58.61 1wwx h ARG 54 Cb 0.90 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.35 1wwx h ARG 54 CO -0.04 1.14 0.00 1.63 0.56 0.00 0.00 179.97 183.25 1wwx n LYS 55 N -3.60 2.24 -2.55 0.04 4.76 -0.02 -4.93 118.16 114.09 1wwx n LYS 55 Ca -0.07 -1.88 -0.19 0.00 -2.87 0.00 0.00 58.31 53.30 1wwx n LYS 55 Cb 0.94 -1.46 -0.00 0.00 -1.84 0.00 0.00 35.03 32.66 1wwx n LYS 55 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1wwx n LYS 56 N 1.08 -2.41 -3.35 1.97 0.00 0.32 -4.91 118.16 110.85 1wwx n LYS 56 Ca 0.18 0.88 -0.45 0.00 0.00 0.00 0.00 58.31 58.92 1wwx n LYS 56 Cb 0.50 -5.57 -0.01 0.00 0.00 0.00 0.00 35.03 29.95 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 -2.18 7.15 0.64 3.14 3.84 0.15 -4.86 114.94 122.81 1wwx s ASN 57 Ca 0.07 -3.39 0.27 0.00 0.21 0.00 0.00 52.86 50.02 1wwx s ASN 57 Cb -0.03 -2.20 1.43 0.00 -0.55 0.00 0.00 41.25 39.90 1wwx s ASN 57 CO 0.08 -0.35 1.82 0.44 -2.79 0.00 0.00 177.10 176.30 1wwx h ASP 58 N 6.91 0.00 -0.89 -4.21 5.19 -1.91 0.64 116.42 122.14 1wwx h ASP 58 Ca 0.16 0.00 -0.40 0.00 -0.62 0.00 0.00 57.03 56.17 1wwx h ASP 58 Cb 0.91 0.00 -0.24 0.00 0.18 0.00 0.00 39.33 40.18 1wwx h ASP 58 CO 0.95 0.00 0.51 0.54 -3.12 0.00 0.00 179.24 178.12 1wwx n ARG 59 N -3.15 2.75 -2.65 3.56 5.12 -1.26 -4.96 116.66 116.07 1wwx n ARG 59 Ca 0.02 -2.97 -0.42 0.00 -1.93 0.00 0.00 57.85 52.56 1wwx n ARG 59 Cb 0.56 -2.17 -0.03 0.00 -1.16 0.00 0.00 32.46 29.65 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 -3.12 4.58 -0.08 5.56 -2.45 0.22 -4.98 119.30 119.03 1wwx s MET 60 Ca 0.55 1.51 -0.16 0.00 -1.25 0.00 0.00 55.69 56.34 1wwx s MET 60 Cb 0.46 -3.41 0.03 0.00 1.25 0.00 0.00 34.83 33.16 1wwx s MET 60 CO 0.12 -0.01 0.39 -0.08 1.05 0.00 0.00 175.02 176.48 1wwx s THR 61 N 0.67 0.03 0.44 10.11 -1.32 -1.26 -4.51 115.64 119.80 1wwx s THR 61 Ca 0.52 -0.22 0.31 0.00 -1.21 0.00 0.00 61.69 61.09 1wwx s THR 61 Cb -0.24 -0.63 0.50 0.00 -1.51 0.00 0.00 72.50 70.62 1wwx s THR 61 CO 0.29 -0.12 1.63 0.22 -2.21 0.00 0.00 174.62 174.43 1wwx h TYR 62 N 4.53 0.49 -0.91 9.09 3.20 -1.90 1.06 116.97 132.53 1wwx h TYR 62 Ca -0.28 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.66 1wwx h TYR 62 Cb 1.18 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 39.27 1wwx h TYR 62 CO 0.45 -0.18 0.58 1.49 -1.64 0.00 0.00 178.16 178.87 1wwx h GLU 63 N 0.09 1.07 0.17 1.82 4.81 -1.95 0.78 114.58 121.37 1wwx h GLU 63 Ca 0.81 -0.06 -0.35 0.00 -0.13 0.00 0.00 59.36 59.62 1wwx h GLU 63 Cb 2.58 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 31.72 1wwx h GLU 63 CO -0.38 0.71 -1.79 0.87 -0.73 0.00 0.00 179.01 177.68 1wwx h LYS 64 N 1.10 0.36 -0.73 1.92 1.57 0.61 -3.37 116.57 118.04 1wwx h LYS 64 Ca 0.38 -0.61 0.06 0.00 -1.87 0.00 0.00 60.65 58.60 1wwx h LYS 64 Cb 0.08 0.23 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 1wwx h LYS 64 CO -0.15 1.29 0.43 1.25 -0.57 0.00 0.00 179.45 181.71 1wwx h LEU 65 N 0.07 0.67 -2.01 2.94 6.46 -0.49 -0.72 115.31 122.23 1wwx h LEU 65 Ca -0.36 0.02 0.16 0.00 -0.12 0.00 0.00 57.88 57.58 1wwx h LEU 65 Cb 2.06 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 41.86 1wwx h LEU 65 CO 0.15 0.43 0.44 0.77 -0.62 0.00 0.00 178.44 179.61 1wwx h SER 66 N 0.80 0.00 -0.92 1.25 4.64 -0.99 -0.92 113.55 117.40 1wwx h SER 66 Ca 0.32 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.83 1wwx h SER 66 Cb 0.16 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.14 1wwx h SER 66 CO -0.17 0.00 0.49 0.08 -0.87 0.00 0.00 176.83 176.36 1wwx h ARG 67 N 0.00 0.56 -0.12 4.77 0.11 -1.28 0.11 114.38 118.52 1wwx h ARG 67 Ca 0.27 -0.03 -0.19 0.00 0.10 0.00 0.00 59.98 60.13 1wwx h ARG 67 Cb 1.14 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 32.10 1wwx h ARG 67 CO -0.00 0.37 -0.69 0.00 0.10 0.00 0.00 179.97 179.75 1wwx h ALA 68 N 1.65 0.56 -0.75 0.08 0.00 -1.31 -2.40 119.26 117.10 1wwx h ALA 68 Ca 0.55 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1wwx h ALA 68 Cb 0.93 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1wwx h ALA 68 CO -0.44 0.73 0.45 -0.07 0.00 0.00 0.00 179.25 179.92 1wwx h LEU 69 N 0.37 0.90 -0.45 0.00 3.38 -0.86 0.59 115.31 119.25 1wwx h LEU 69 Ca -0.03 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1wwx h LEU 69 Cb 1.27 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1wwx h LEU 69 CO 0.13 0.70 -0.02 0.03 0.09 0.00 0.00 178.44 179.36 1wwx h ARG 70 N 1.02 0.00 0.00 1.13 2.47 -1.16 -3.02 114.38 114.82 1wwx h ARG 70 Ca 0.27 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 1wwx h ARG 70 Cb -0.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 1wwx h ARG 70 CO -0.05 0.02 -0.58 0.98 0.56 0.00 0.00 179.97 180.90 1wwx n TYR 71 N -3.11 0.54 0.50 3.04 4.19 -0.71 -3.63 117.16 117.98 1wwx n TYR 71 Ca 0.03 0.16 0.13 0.00 3.31 0.00 0.00 57.90 61.52 1wwx n TYR 71 Cb 0.47 -0.65 0.39 0.00 0.49 0.00 0.00 39.34 40.04 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 -0.78 -3.07 116.97 116.15 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 0.73 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.47 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 -2.46 0.59 0.05 4.88 4.01 -1.24 -0.90 117.16 122.10 1wwx n TYR 73 Ca 0.05 0.22 -0.17 0.00 -0.16 0.00 0.00 57.90 57.84 1wwx n TYR 73 Cb 0.42 -0.86 -0.14 0.00 -0.31 0.00 0.00 39.34 38.45 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 0.24 0.00 -0.72 1.57 -1.77 -3.34 116.57 112.55 1wwx h LYS 74 Ca 0.00 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1wwx h LYS 74 Cb 0.40 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1wwx h LYS 74 CO 0.00 1.09 -1.03 0.25 -0.57 0.00 0.00 179.45 179.19 1wwx n THR 75 N -3.44 0.46 -0.08 -0.16 -2.24 -1.10 -4.96 114.28 102.76 1wwx n THR 75 Ca -0.18 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1wwx n THR 75 Cb 1.05 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 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 1.24 0.49 0.26 3.38 0.00 -0.08 -4.82 105.19 105.67 1wwx n GLY 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.89 -1.89 -0.61 1.08 -1.64 -3.21 117.51 112.13 1wwx h ILE 77 Ca 0.00 -0.21 -0.57 0.00 -0.39 0.00 0.00 64.86 63.69 1wwx h ILE 77 Cb 0.00 0.22 -0.10 0.00 -3.07 0.00 0.00 36.82 33.87 1wwx h ILE 77 CO 0.00 0.11 -0.59 -0.76 -0.69 0.00 0.00 178.15 176.22 1wwx s LEU 78 N -10.30 3.07 -0.22 1.44 1.43 -1.14 -0.36 118.68 112.59 1wwx s LEU 78 Ca -0.13 -0.94 0.01 0.00 -1.03 0.00 0.00 54.13 52.05 1wwx s LEU 78 Cb 0.17 -1.46 0.05 0.00 0.03 0.00 0.00 46.19 44.98 1wwx s LEU 78 CO 0.76 -0.27 -0.08 -1.61 0.23 0.00 0.00 176.35 175.38 1wwx s GLU 79 N -3.76 1.86 0.15 1.70 2.02 0.25 -4.35 118.70 116.57 1wwx s GLU 79 Ca 0.36 -0.97 -0.34 0.00 0.02 0.00 0.00 54.97 54.04 1wwx s GLU 79 Cb -0.00 -2.55 -0.16 0.00 0.10 0.00 0.00 34.13 31.51 1wwx s GLU 79 CO 0.20 -0.53 1.19 -2.13 0.02 0.00 0.00 175.26 174.02 1wwx n ARG 80 N 4.65 1.11 -4.88 1.61 0.63 -1.26 -3.90 116.66 114.62 1wwx n ARG 80 Ca -0.13 0.40 -0.26 0.00 -0.92 0.00 0.00 57.85 56.93 1wwx n ARG 80 Cb 0.45 -1.92 -0.15 0.00 0.45 0.00 0.00 32.46 31.29 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 -0.04 1.59 -0.23 5.15 1.01 -1.26 -4.99 120.40 121.63 1wwx s VAL 81 Ca 0.76 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1wwx s VAL 81 Cb -0.89 -1.34 0.07 0.00 0.00 0.00 0.00 36.38 34.22 1wwx s VAL 81 CO 0.51 0.38 2.39 0.47 0.00 0.00 0.00 175.10 178.84 1wwx n ASP 82 N 2.39 6.04 -4.08 3.32 9.92 -1.26 -4.86 116.55 128.02 1wwx n ASP 82 Ca -0.16 -2.86 -0.19 0.00 -0.53 0.00 0.00 54.79 51.06 1wwx n ASP 82 Cb 0.53 -1.16 -0.09 0.00 -0.64 0.00 0.00 41.12 39.76 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 -0.98 1.57 -0.17 -1.24 0.52 -1.26 -5.15 118.95 112.24 1wwx s ARG 83 Ca 0.34 -1.89 -0.07 0.00 -0.52 0.00 0.00 55.73 53.59 1wwx s ARG 83 Cb 0.22 -0.18 -0.04 0.00 0.52 0.00 0.00 34.95 35.48 1wwx s ARG 83 CO -0.05 -0.41 0.07 0.50 0.02 0.00 0.00 175.30 175.44 1wwx s ARG 84 N -3.86 3.91 -1.47 3.54 3.52 -1.26 -4.39 118.95 118.93 1wwx s ARG 84 Ca 0.36 -0.32 -0.05 0.00 -0.13 0.00 0.00 55.73 55.59 1wwx s ARG 84 Cb 0.06 -3.21 0.02 0.00 -1.56 0.00 0.00 34.95 30.25 1wwx s ARG 84 CO 0.16 0.34 0.44 1.28 -0.81 0.00 0.00 175.30 176.72 1wwx n LEU 85 N 3.33 -2.16 -3.72 -0.88 4.32 -1.26 -4.91 117.00 111.72 1wwx n LEU 85 Ca -0.17 -0.23 -0.25 0.00 -0.02 0.00 0.00 56.01 55.35 1wwx n LEU 85 Cb 0.52 -2.68 -0.17 0.00 -1.62 0.00 0.00 43.42 39.47 1wwx n LEU 85 CO 0.35 0.12 -0.36 -0.69 -1.22 0.00 0.00 177.39 175.59 1wwx s VAL 86 N -3.04 0.29 0.46 4.08 1.01 -1.26 -0.21 120.40 121.72 1wwx s VAL 86 Ca 0.26 -0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.17 1wwx s VAL 86 Cb -0.12 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 1wwx s VAL 86 CO 0.32 0.00 0.05 -0.31 0.00 0.00 0.00 175.10 175.16 1wwx s TYR 87 N 1.98 2.22 -0.17 5.22 1.51 0.01 -4.59 117.35 123.54 1wwx s TYR 87 Ca 0.03 -0.78 -0.11 0.00 -1.01 0.00 0.00 57.07 55.19 1wwx s TYR 87 Cb -0.14 -1.74 0.05 0.00 -0.11 0.00 0.00 41.96 40.02 1wwx s TYR 87 CO -0.07 0.29 0.42 0.21 -1.11 0.00 0.00 175.55 175.29 1wwx s LYS 88 N -3.83 0.43 -0.06 -0.62 2.20 -1.25 -0.62 119.74 115.99 1wwx s LYS 88 Ca 0.24 0.75 -0.30 0.00 -0.36 0.00 0.00 55.97 56.30 1wwx s LYS 88 Cb 0.05 0.05 -0.03 0.00 -1.51 0.00 0.00 37.83 36.39 1wwx s LYS 88 CO 0.13 -0.13 1.23 -0.06 -0.36 0.00 0.00 175.35 176.15 1wwx s PHE 89 N 1.10 3.12 0.00 4.03 0.08 -1.17 0.84 117.98 125.98 1wwx s PHE 89 Ca -0.07 1.15 0.00 0.00 0.12 0.00 0.00 56.93 58.13 1wwx s PHE 89 Cb -0.07 -3.46 0.00 0.00 -0.57 0.00 0.00 43.02 38.92 1wwx s PHE 89 CO -0.09 -1.48 0.00 0.41 -0.10 0.00 0.00 175.22 173.96 1wwx n GLY 90 N 3.42 -1.31 0.09 4.36 0.00 0.51 -4.77 105.19 107.49 1wwx n GLY 90 Ca 0.11 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.05 1.61 2.85 -1.21 -4.10 118.16 117.88 1wwx n LYS 91 Ca 0.00 0.14 0.01 0.00 -1.05 0.00 0.00 58.31 57.42 1wwx n LYS 91 Cb 0.00 -1.74 0.33 0.00 -0.65 0.00 0.00 35.03 32.97 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 0.58 -4.16 -5.58 2.35 -1.82 -3.43 115.58 103.52 1wwx h ASN 92 Ca -0.19 -0.05 -0.51 0.00 -0.55 0.00 0.00 56.30 55.00 1wwx h ASN 92 Cb 1.59 -0.15 0.10 0.00 0.05 0.00 0.00 38.32 39.91 1wwx h ASN 92 CO 0.04 0.50 0.40 0.00 -1.65 0.00 0.00 177.43 176.72 1wwx s ALA 93 N -5.38 2.49 0.18 -0.83 0.00 -1.26 -4.94 121.76 112.04 1wwx s ALA 93 Ca -0.09 0.71 -0.00 0.00 0.00 0.00 0.00 51.96 52.58 1wwx s ALA 93 Cb 0.17 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1wwx s ALA 93 CO 0.76 -1.21 0.08 -3.38 0.00 0.00 0.00 175.76 172.01 1wwx s HIS 94 N -2.07 1.14 0.00 0.00 -3.43 -1.26 -4.86 115.29 104.81 1wwx s HIS 94 Ca 0.70 -1.25 0.00 0.00 -0.80 0.00 0.00 55.06 53.71 1wwx s HIS 94 Cb -0.23 -0.61 0.00 0.00 -1.43 0.00 0.00 32.58 30.30 1wwx s HIS 94 CO 0.37 -0.49 0.00 0.41 -2.00 0.00 0.00 174.74 173.03 1wwx n GLY 95 N -0.24 2.26 0.19 -1.38 0.00 -1.26 -4.72 105.19 100.03 1wwx n GLY 95 Ca -0.02 -0.50 -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 0.89 -3.74 1.61 5.08 -1.97 -3.45 115.95 114.37 1wwx h TRP 96 Ca 0.00 -0.45 -0.55 0.00 1.08 0.00 0.00 58.89 58.96 1wwx h TRP 96 Cb 0.00 -0.11 0.18 0.00 -3.00 0.00 0.00 29.16 26.22 1wwx h TRP 96 CO 0.00 1.28 0.08 1.04 -1.28 0.00 0.00 178.44 179.55 1wwx n GLN 97 N -3.85 0.50 -2.98 0.12 6.02 -1.26 -5.01 117.38 110.93 1wwx n GLN 97 Ca -0.08 0.23 -0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1wwx n GLN 97 Cb 0.82 -2.20 0.00 0.00 1.02 0.00 0.00 30.24 29.88 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 -3.30 0.72 0.29 -1.09 2.12 -1.26 -5.13 118.70 111.06 1wwx s GLU 98 Ca 0.73 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.64 1wwx s GLU 98 Cb -0.35 0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.08 1wwx s GLU 98 CO 0.51 -0.99 0.00 -3.47 -0.54 0.00 0.00 175.26 170.77 1wwx n ASP 99 N 3.79 -4.63 -3.67 -1.70 2.03 -1.26 -4.91 116.55 106.19 1wwx n ASP 99 Ca 0.12 0.65 -0.28 0.00 0.52 0.00 0.00 54.79 55.80 1wwx n ASP 99 Cb 0.58 -2.63 0.01 0.00 -0.72 0.00 0.00 41.12 38.36 1wwx n ASP 99 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1wwx n LYS 100 N -3.43 -1.59 -0.48 -0.67 4.81 -1.26 -4.87 118.16 110.67 1wwx n LYS 100 Ca -0.03 0.88 0.05 0.00 -0.87 0.00 0.00 58.31 58.34 1wwx n LYS 100 Cb 0.37 -2.07 0.22 0.00 0.02 0.00 0.00 35.03 33.57 1wwx n LYS 100 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1wwx n LEU 101 N -1.94 3.61 -3.58 3.14 -0.00 -1.26 -4.92 117.00 112.05 1wwx n LEU 101 Ca -0.26 -3.28 -0.19 0.00 -0.00 0.00 0.00 56.01 52.29 1wwx n LEU 101 Cb 0.67 -0.55 -0.15 0.00 -0.00 0.00 0.00 43.42 43.40 1wwx n LEU 101 CO 0.60 0.87 -0.24 -0.55 -0.00 0.00 0.00 177.39 178.07 1wwx s SER 102 N -2.34 1.34 -0.79 1.45 0.15 -1.26 -5.09 113.70 107.16 1wwx s SER 102 Ca 0.41 -0.10 -0.01 0.00 0.70 0.00 0.00 55.95 56.95 1wwx s SER 102 Cb 0.35 0.23 0.20 0.00 -1.71 0.00 0.00 66.02 65.08 1wwx s SER 102 CO 0.05 -0.30 0.64 -0.83 1.20 0.00 0.00 173.24 173.99 1wwx s GLY 103 N 2.28 2.89 0.35 9.45 0.00 -1.26 -5.08 107.32 115.95 1wwx s GLY 103 Ca 0.05 -3.67 -0.27 0.00 0.00 0.00 0.00 44.72 40.82 1wwx s GLY 103 CO -0.09 1.15 1.21 2.56 0.00 0.00 0.00 173.10 177.93 1wwx s PRO 104 N -0.98 4.28 1.31 2.90 0.04 -1.26 -4.83 135.00 136.46 1wwx s PRO 104 Ca 0.24 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1wwx s PRO 104 Cb -0.11 -2.93 0.00 0.00 0.04 0.00 0.00 34.50 31.50 1wwx s PRO 104 CO -0.10 -0.17 0.00 -1.13 0.04 0.00 0.00 177.00 175.64 1wwx n SER 105 N 0.57 -6.42 -0.10 6.66 3.41 -1.26 -4.64 113.62 111.84 1wwx n SER 105 Ca 0.02 0.51 -0.18 0.00 -0.26 0.00 0.00 58.87 58.96 1wwx n SER 105 Cb 0.44 -1.46 -0.09 0.00 -0.26 0.00 0.00 64.21 62.85 1wwx n SER 105 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wwx n SER 106 N -3.51 1.86 0.00 4.04 2.88 -1.26 -5.26 113.62 112.36 1wwx n SER 106 Ca 0.00 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1wwx n SER 106 Cb 0.22 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 1wwx n SER 106 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42