#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 1.98 -3.15 1.61 7.64 -1.26 -4.80 113.62 115.64 1wwx n SER 2 Ca 0.00 -0.13 0.06 0.00 1.01 0.00 0.00 58.87 59.81 1wwx n SER 2 Cb 0.00 -1.39 -0.01 0.00 -1.01 0.00 0.00 64.21 61.80 1wwx n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wwx s SER 3 N 10.29 -0.27 0.00 6.43 0.01 -1.26 -5.14 113.70 123.76 1wwx s SER 3 Ca 1.08 0.09 0.00 0.00 1.31 0.00 0.00 55.95 58.43 1wwx s SER 3 Cb -0.53 1.19 0.00 0.00 0.21 0.00 0.00 66.02 66.89 1wwx s SER 3 CO 0.36 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.57 1wwx n GLY 4 N 5.27 -1.50 3.63 3.44 0.00 -1.26 -4.93 105.19 109.84 1wwx n GLY 4 Ca 0.01 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1wwx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wwx s SER 5 N -1.77 5.11 -0.14 1.61 0.01 -1.26 -5.03 113.70 112.22 1wwx s SER 5 Ca 0.00 0.06 -0.19 0.00 1.31 0.00 0.00 55.95 57.13 1wwx s SER 5 Cb 0.00 -1.56 -0.16 0.00 0.21 0.00 0.00 66.02 64.51 1wwx s SER 5 CO 0.00 0.31 0.40 -1.28 0.41 0.00 0.00 173.24 173.08 1wwx h SER 6 N 5.66 0.00 0.00 2.44 0.87 -2.06 -3.50 113.55 116.96 1wwx h SER 6 Ca -0.45 -0.58 0.00 0.00 -1.23 0.00 0.00 61.79 59.53 1wwx h SER 6 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1wwx h SER 6 CO 0.58 0.94 0.00 0.61 -0.53 0.00 0.00 176.83 178.43 1wwx n GLY 7 N 1.62 1.64 3.67 5.77 0.00 -1.26 -5.13 105.19 111.51 1wwx n GLY 7 Ca -0.11 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 1wwx n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wwx s SER 8 N 0.00 6.93 -0.28 1.61 0.15 -1.26 -5.03 113.70 115.83 1wwx s SER 8 Ca 0.00 1.14 -0.18 0.00 0.70 0.00 0.00 55.95 57.61 1wwx s SER 8 Cb 0.00 -2.44 0.08 0.00 -1.71 0.00 0.00 66.02 61.95 1wwx s SER 8 CO 0.00 -0.35 0.73 -0.55 1.20 0.00 0.00 173.24 174.27 1wwx s SER 9 N 1.12 -0.86 0.32 5.45 0.15 -1.26 -5.12 113.70 113.50 1wwx s SER 9 Ca 0.37 1.44 0.00 0.00 0.70 0.00 0.00 55.95 58.46 1wwx s SER 9 Cb -0.17 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 65.52 1wwx s SER 9 CO 0.13 -0.23 0.00 1.41 1.20 0.00 0.00 173.24 175.75 1wwx n HIS 10 N 3.87 -3.67 0.10 3.44 8.25 -1.26 -4.53 115.22 121.42 1wwx n HIS 10 Ca -0.18 1.92 -0.13 0.00 -0.26 0.00 0.00 57.72 59.06 1wwx n HIS 10 Cb 0.58 -3.15 -0.08 0.00 1.12 0.00 0.00 29.99 28.46 1wwx n HIS 10 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1wwx h LEU 11 N 2.13 -0.24 -1.77 2.41 6.46 -1.99 -2.74 115.31 119.56 1wwx h LEU 11 Ca 0.00 -0.25 0.54 0.00 -0.12 0.00 0.00 57.88 58.05 1wwx h LEU 11 Cb 0.00 0.06 -0.10 0.00 -0.73 0.00 0.00 40.66 39.89 1wwx h LEU 11 CO 0.00 0.16 1.23 4.11 -0.62 0.00 0.00 178.44 183.32 1wwx h TRP 12 N -0.69 0.19 0.17 1.25 5.08 -1.95 1.70 115.95 121.70 1wwx h TRP 12 Ca -0.03 0.01 -0.32 0.00 1.08 0.00 0.00 58.89 59.63 1wwx h TRP 12 Cb 0.48 -0.04 0.01 0.00 -3.00 0.00 0.00 29.16 26.61 1wwx h TRP 12 CO 0.04 -0.11 -1.50 0.93 -1.28 0.00 0.00 178.44 176.52 1wwx h GLU 13 N 0.00 0.37 0.66 0.12 5.08 -1.76 -2.91 114.58 116.13 1wwx h GLU 13 Ca 0.93 -0.63 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 1wwx h GLU 13 Cb 3.45 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 32.93 1wwx h GLU 13 CO -0.18 1.27 -0.46 0.35 -1.00 0.00 0.00 179.01 178.98 1wwx h PHE 14 N 0.10 -1.24 -0.92 4.33 3.57 0.28 0.31 116.94 123.36 1wwx h PHE 14 Ca -0.24 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.24 1wwx h PHE 14 Cb 2.07 0.46 -0.04 0.00 2.79 0.00 0.00 35.95 41.22 1wwx h PHE 14 CO 0.09 -0.66 0.55 -0.24 -2.23 0.00 0.00 178.31 175.82 1wwx h VAL 15 N -1.07 1.25 -0.86 1.41 3.04 -1.54 -2.46 116.25 116.03 1wwx h VAL 15 Ca -0.09 -0.56 0.04 0.00 -1.01 0.00 0.00 66.70 65.08 1wwx h VAL 15 Cb 0.87 -0.04 -0.05 0.00 -2.01 0.00 0.00 31.29 30.05 1wwx h VAL 15 CO 0.05 0.27 0.55 -0.09 -1.01 0.00 0.00 177.57 177.34 1wwx h ARG 16 N 1.27 1.01 -0.22 4.17 2.43 -1.31 -2.64 114.38 119.11 1wwx h ARG 16 Ca 0.33 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.49 1wwx h ARG 16 Cb -0.05 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.22 1wwx h ARG 16 CO -0.06 0.67 -0.16 0.22 -1.51 0.00 0.00 179.97 179.13 1wwx h ASP 17 N 1.04 -0.51 -0.95 -3.80 1.82 -0.44 -1.44 116.42 112.15 1wwx h ASP 17 Ca 0.35 0.11 0.28 0.00 -0.39 0.00 0.00 57.03 57.38 1wwx h ASP 17 Cb 0.06 0.26 -0.15 0.00 0.68 0.00 0.00 39.33 40.18 1wwx h ASP 17 CO -0.13 -0.20 0.39 -0.07 -1.61 0.00 0.00 179.24 177.62 1wwx h LEU 18 N -0.15 0.24 -0.94 2.28 4.07 -1.43 1.71 115.31 121.07 1wwx h LEU 18 Ca 0.13 0.20 -0.02 0.00 0.08 0.00 0.00 57.88 58.26 1wwx h LEU 18 Cb 0.34 0.21 -0.04 0.00 1.08 0.00 0.00 40.66 42.26 1wwx h LEU 18 CO -0.31 -0.16 0.44 -0.07 -1.08 0.00 0.00 178.44 177.27 1wwx h LEU 19 N 0.25 1.07 -0.40 1.67 3.38 -1.27 -2.09 115.31 117.92 1wwx h LEU 19 Ca 0.65 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.51 1wwx h LEU 19 Cb 1.41 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1wwx h LEU 19 CO -0.65 0.88 -0.39 0.18 0.09 0.00 0.00 178.44 178.55 1wwx n LEU 20 N -4.33 1.02 -3.87 1.67 4.77 0.22 -4.56 117.00 111.93 1wwx n LEU 20 Ca 0.09 -0.28 -0.28 0.00 -0.03 0.00 0.00 56.01 55.51 1wwx n LEU 20 Cb 0.11 -0.13 -0.12 0.00 -2.33 0.00 0.00 43.42 40.95 1wwx n LEU 20 CO 0.39 0.20 -0.09 -0.44 -1.33 0.00 0.00 177.39 176.13 1wwx s SER 21 N -2.65 4.49 0.00 -1.43 0.01 0.52 -4.91 113.70 109.72 1wwx s SER 21 Ca 0.19 -3.61 0.14 0.00 1.31 0.00 0.00 55.95 53.98 1wwx s SER 21 Cb 0.18 -1.54 0.62 0.00 0.21 0.00 0.00 66.02 65.49 1wwx s SER 21 CO 0.59 -0.12 1.44 -0.81 0.41 0.00 0.00 173.24 174.76 1wwx n PRO 22 N 2.29 0.03 0.10 12.44 -0.04 -1.24 -1.57 135.00 147.00 1wwx n PRO 22 Ca 0.17 0.24 -0.01 0.00 -0.04 0.00 0.00 63.50 63.87 1wwx n PRO 22 Cb 0.35 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.28 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 -0.39 0.00 -1.00 0.00 0.00 59.36 57.97 1wwx h GLU 23 Cb 0.23 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.41 1wwx h GLU 23 CO 0.00 0.60 -2.38 0.39 -1.00 0.00 0.00 179.01 176.62 1wwx n GLU 24 N -3.21 0.56 -2.00 2.33 -0.58 -0.99 -4.94 120.64 111.82 1wwx n GLU 24 Ca -0.00 0.19 -0.42 0.00 -0.42 0.00 0.00 57.16 56.50 1wwx n GLU 24 Cb 0.81 -1.43 -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 -6.78 6.66 -0.67 1.62 2.47 -0.61 -4.96 114.94 112.68 1wwx s ASN 25 Ca -0.33 2.37 0.00 0.00 0.42 0.00 0.00 52.86 55.32 1wwx s ASN 25 Cb 0.11 -2.56 0.17 0.00 -1.45 0.00 0.00 41.25 37.52 1wwx s ASN 25 CO 0.49 -0.86 0.47 0.00 -3.72 0.00 0.00 177.10 173.48 1wwx n GLY 27 N 2.90 -0.50 0.08 0.00 0.00 -1.26 -4.81 105.19 101.60 1wwx n GLY 27 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.03 1.07 -4.25 -0.61 2.04 -1.92 -3.36 117.51 110.46 1wwx h ILE 28 Ca -0.25 -2.88 -0.35 0.00 1.00 0.00 0.00 64.86 62.38 1wwx h ILE 28 Cb 1.18 2.54 -0.14 0.00 -0.74 0.00 0.00 36.82 39.66 1wwx h ILE 28 CO 0.30 0.62 -0.58 -0.76 0.00 0.00 0.00 178.15 177.73 1wwx s LEU 29 N -6.28 1.49 -0.04 1.44 1.43 -1.26 -1.64 118.68 113.82 1wwx s LEU 29 Ca -0.04 -1.49 -0.08 0.00 -1.03 0.00 0.00 54.13 51.49 1wwx s LEU 29 Cb 0.08 0.27 0.01 0.00 0.03 0.00 0.00 46.19 46.58 1wwx s LEU 29 CO 0.82 -0.86 0.20 -1.61 0.23 0.00 0.00 176.35 175.13 1wwx s GLU 30 N -3.94 0.40 -0.62 1.70 2.02 -0.12 -4.77 118.70 113.38 1wwx s GLU 30 Ca 0.38 -0.05 -0.22 0.00 0.02 0.00 0.00 54.97 55.10 1wwx s GLU 30 Cb 0.06 0.18 0.07 0.00 0.10 0.00 0.00 34.13 34.54 1wwx s GLU 30 CO 0.16 -0.09 0.88 -1.58 0.02 0.00 0.00 175.26 174.66 1wwx s TRP 31 N -0.69 2.78 -0.18 1.61 0.23 -1.26 -0.63 118.94 120.79 1wwx s TRP 31 Ca -0.08 -0.59 0.16 0.00 -2.03 0.00 0.00 56.10 53.57 1wwx s TRP 31 Cb -0.04 -4.16 0.06 0.00 0.03 0.00 0.00 33.47 29.36 1wwx s TRP 31 CO 0.01 -1.50 1.36 0.93 0.96 0.00 0.00 176.95 178.71 1wwx h GLU 32 N 9.42 0.00 -0.68 4.98 4.39 -1.48 -3.44 114.58 127.76 1wwx h GLU 32 Ca -0.29 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.55 1wwx h GLU 32 Cb 1.08 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.52 1wwx h GLU 32 CO 1.14 0.40 -0.16 -0.51 -1.16 0.00 0.00 179.01 178.73 1wwx s ASP 33 N -6.30 -1.04 0.28 1.42 1.01 -0.75 -4.92 116.67 106.37 1wwx s ASP 33 Ca 0.03 0.36 0.05 0.00 0.71 0.00 0.00 52.55 53.70 1wwx s ASP 33 Cb 0.07 1.76 0.41 0.00 1.01 0.00 0.00 42.92 46.17 1wwx s ASP 33 CO 0.75 -0.19 1.68 0.03 0.21 0.00 0.00 175.17 177.64 1wwx h ARG 34 N 7.84 0.29 0.04 8.23 2.47 -1.86 0.84 114.38 132.24 1wwx h ARG 34 Ca -0.11 -0.14 -0.00 0.00 -1.26 0.00 0.00 59.98 58.46 1wwx h ARG 34 Cb 1.18 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1wwx h ARG 34 CO 0.07 0.66 -0.02 0.93 0.56 0.00 0.00 179.97 182.17 1wwx h GLU 35 N 0.24 -0.06 0.00 0.04 4.39 -1.96 -3.25 114.58 113.98 1wwx h GLU 35 Ca 0.02 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.55 1wwx h GLU 35 Cb 0.84 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 1wwx h GLU 35 CO 0.07 0.39 -0.83 1.96 -1.16 0.00 0.00 179.01 179.44 1wwx h GLN 36 N -0.53 0.00 0.00 2.33 4.20 -1.97 -3.48 115.11 115.66 1wwx h GLN 36 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1wwx h GLN 36 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1wwx h GLN 36 CO 0.01 0.83 0.00 0.41 -0.67 0.00 0.00 178.83 179.41 1wwx n GLY 37 N 1.09 0.88 3.76 3.46 0.00 0.28 -4.78 105.19 109.86 1wwx n GLY 37 Ca 0.00 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 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 4.48 0.03 -0.61 1.01 -0.22 -2.92 121.20 120.96 1wwx s ILE 38 Ca 0.00 1.76 -0.00 0.00 0.00 0.00 0.00 60.65 62.41 1wwx s ILE 38 Cb 0.00 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.27 1wwx s ILE 38 CO 0.00 0.44 -0.03 0.72 0.00 0.00 0.00 174.94 176.07 1wwx s PHE 39 N -0.62 0.33 0.08 3.97 -0.71 0.61 -1.16 117.98 120.47 1wwx s PHE 39 Ca 0.39 -0.67 0.06 0.00 -1.04 0.00 0.00 56.93 55.66 1wwx s PHE 39 Cb -0.23 -0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.30 1wwx s PHE 39 CO 0.26 -0.24 -0.09 0.50 -1.34 0.00 0.00 175.22 174.31 1wwx s ARG 40 N -2.11 2.25 -1.14 1.99 3.52 0.20 -0.37 118.95 123.28 1wwx s ARG 40 Ca -0.10 -0.95 -0.10 0.00 -0.13 0.00 0.00 55.73 54.46 1wwx s ARG 40 Cb -0.05 -2.36 0.25 0.00 -1.56 0.00 0.00 34.95 31.23 1wwx s ARG 40 CO -0.03 0.53 1.24 0.28 -0.81 0.00 0.00 175.30 176.50 1wwx n VAL 41 N 0.89 4.54 -0.23 7.11 0.31 0.68 -0.95 118.33 130.69 1wwx n VAL 41 Ca -0.14 -5.24 0.03 0.00 -0.01 0.00 0.00 64.34 58.99 1wwx n VAL 41 Cb 0.52 -2.53 0.14 0.00 -0.91 0.00 0.00 33.84 31.06 1wwx n VAL 41 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1wwx h VAL 42 N 3.87 0.48 -3.50 2.52 2.07 -1.58 -3.28 116.25 116.83 1wwx h VAL 42 Ca 0.22 -0.06 -0.67 0.00 0.82 0.00 0.00 66.70 67.01 1wwx h VAL 42 Cb 0.85 0.30 -0.38 0.00 -1.52 0.00 0.00 31.29 30.54 1wwx h VAL 42 CO 1.11 0.03 -0.55 -0.54 0.02 0.00 0.00 177.57 177.64 1wwx s LYS 43 N -6.11 2.08 0.43 1.57 1.02 -0.83 -4.93 119.74 112.98 1wwx s LYS 43 Ca -0.13 -2.33 0.19 0.00 0.02 0.00 0.00 55.97 53.72 1wwx s LYS 43 Cb 0.20 -3.48 1.00 0.00 -0.52 0.00 0.00 37.83 35.03 1wwx s LYS 43 CO 0.75 -1.09 1.92 0.66 -0.92 0.00 0.00 175.35 176.66 1wwx h SER 44 N 7.13 0.00 0.20 2.83 4.64 -1.85 -1.25 113.55 125.25 1wwx h SER 44 Ca -0.06 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.94 1wwx h SER 44 Cb 0.96 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.09 1wwx h SER 44 CO 0.67 0.26 -1.38 1.05 -0.87 0.00 0.00 176.83 176.56 1wwx h GLU 45 N 0.00 0.57 -0.30 4.77 4.11 -1.93 -3.15 114.58 118.65 1wwx h GLU 45 Ca -0.00 -0.89 -0.13 0.00 0.07 0.00 0.00 59.36 58.41 1wwx h GLU 45 Cb 0.55 0.32 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1wwx h GLU 45 CO 0.03 1.42 -0.36 0.00 0.07 0.00 0.00 179.01 180.17 1wwx h ALA 46 N 0.20 0.82 -0.75 1.06 0.00 -1.92 -1.52 119.26 117.15 1wwx h ALA 46 Ca -0.23 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 1wwx h ALA 46 Cb 2.06 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.70 1wwx h ALA 46 CO 0.26 0.64 0.40 1.25 0.00 0.00 0.00 179.25 181.81 1wwx h LEU 47 N 0.56 0.95 -0.06 0.00 5.85 -1.32 -1.21 115.31 120.07 1wwx h LEU 47 Ca 0.06 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1wwx h LEU 47 Cb 0.88 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1wwx h LEU 47 CO 0.08 0.78 -0.20 0.00 -0.34 0.00 0.00 178.44 178.76 1wwx h ALA 48 N 1.21 0.11 -0.34 1.25 0.00 -1.49 -2.27 119.26 117.73 1wwx h ALA 48 Ca 0.26 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1wwx h ALA 48 Cb 0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1wwx h ALA 48 CO -0.04 0.06 -0.05 0.87 0.00 0.00 0.00 179.25 180.09 1wwx h LYS 49 N -0.27 0.04 0.42 0.00 1.57 -1.16 0.05 116.57 117.21 1wwx h LYS 49 Ca -0.01 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1wwx h LYS 49 Cb 0.82 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1wwx h LYS 49 CO 0.04 0.03 -0.20 0.52 -0.57 0.00 0.00 179.45 179.27 1wwx h MET 50 N 0.04 -0.54 -0.36 3.15 2.86 -1.29 -2.91 114.93 115.88 1wwx h MET 50 Ca 0.16 0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.91 1wwx h MET 50 Cb 0.24 0.12 -0.09 0.00 0.06 0.00 0.00 31.60 31.93 1wwx h MET 50 CO -0.31 -0.30 -0.32 2.35 1.06 0.00 0.00 176.91 179.38 1wwx h TRP 51 N -0.66 -0.89 -0.83 -0.22 -0.00 -1.12 -0.88 115.95 111.35 1wwx h TRP 51 Ca -0.06 0.05 0.20 0.00 -0.00 0.00 0.00 58.89 59.09 1wwx h TRP 51 Cb 0.48 0.44 -0.13 0.00 -0.00 0.00 0.00 29.16 29.96 1wwx h TRP 51 CO -0.02 -0.38 0.22 0.78 -0.00 0.00 0.00 178.44 179.04 1wwx h GLY 52 N -0.27 1.24 0.68 2.65 0.00 -0.95 0.42 103.07 106.84 1wwx h GLY 52 Ca 0.16 -0.04 0.15 0.00 0.00 0.00 0.00 47.33 47.60 1wwx h GLY 52 CO -0.51 -0.29 0.50 1.46 0.00 0.00 0.00 176.54 177.70 1wwx h GLN 53 N 0.25 0.36 -0.20 4.80 4.20 -0.96 0.41 115.11 123.97 1wwx h GLN 53 Ca 0.50 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 59.04 1wwx h GLN 53 Cb 0.95 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 1wwx h GLN 53 CO -0.59 0.24 -0.51 0.00 -0.67 0.00 0.00 178.83 177.29 1wwx h ARG 54 N 0.37 0.56 -0.64 1.46 2.47 -0.03 -2.91 114.38 115.66 1wwx h ARG 54 Ca 0.37 -0.33 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1wwx h ARG 54 Cb 0.90 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.25 1wwx h ARG 54 CO -0.11 0.94 0.00 1.63 0.56 0.00 0.00 179.97 182.99 1wwx n LYS 55 N -3.98 2.65 -1.85 0.04 4.76 0.12 -4.91 118.16 115.00 1wwx n LYS 55 Ca -0.03 -2.33 -0.18 0.00 -2.87 0.00 0.00 58.31 52.91 1wwx n LYS 55 Cb 0.58 -1.56 -0.05 0.00 -1.84 0.00 0.00 35.03 32.16 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 1.28 -1.57 -3.10 1.97 4.76 0.12 -4.90 118.16 116.71 1wwx n LYS 56 Ca 0.21 0.99 -0.45 0.00 -2.87 0.00 0.00 58.31 56.20 1wwx n LYS 56 Cb 0.59 -5.44 -0.03 0.00 -1.84 0.00 0.00 35.03 28.31 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 -2.35 6.55 0.59 4.39 3.84 0.41 -4.86 114.94 123.50 1wwx s ASN 57 Ca 0.00 -2.08 0.39 0.00 0.21 0.00 0.00 52.86 51.38 1wwx s ASN 57 Cb 0.00 -2.31 2.03 0.00 -0.55 0.00 0.00 41.25 40.42 1wwx s ASN 57 CO 0.00 -0.92 2.19 -0.78 -2.79 0.00 0.00 177.10 174.80 1wwx h ASP 58 N 8.59 0.00 -0.96 -4.21 3.58 -1.91 -1.62 116.42 119.90 1wwx h ASP 58 Ca 0.01 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.91 1wwx h ASP 58 Cb 1.05 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 41.80 1wwx h ASP 58 CO 0.99 0.00 0.66 0.54 -2.88 0.00 0.00 179.24 178.55 1wwx n ARG 59 N -2.96 2.40 -2.92 0.28 1.74 -1.26 -4.97 116.66 108.98 1wwx n ARG 59 Ca -0.02 -3.14 -0.40 0.00 -0.77 0.00 0.00 57.85 53.52 1wwx n ARG 59 Cb 0.12 -2.20 -0.04 0.00 -1.02 0.00 0.00 32.46 29.32 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 -3.48 4.51 -0.06 5.56 1.75 -0.61 -4.99 119.30 121.98 1wwx s MET 60 Ca 0.59 1.12 -0.15 0.00 -1.25 0.00 0.00 55.69 56.01 1wwx s MET 60 Cb 0.48 -3.41 0.03 0.00 2.84 0.00 0.00 34.83 34.77 1wwx s MET 60 CO 0.06 0.13 0.34 -0.08 -0.65 0.00 0.00 175.02 174.82 1wwx s THR 61 N 0.48 0.03 0.31 10.11 -1.32 -1.26 -4.43 115.64 119.57 1wwx s THR 61 Ca 0.42 -0.29 0.05 0.00 -1.21 0.00 0.00 61.69 60.66 1wwx s THR 61 Cb -0.20 -0.59 0.41 0.00 -1.51 0.00 0.00 72.50 70.60 1wwx s THR 61 CO 0.23 -0.16 1.54 0.00 -2.21 0.00 0.00 174.62 174.03 1wwx n TYR 62 N 1.83 0.70 -0.33 9.09 9.36 -1.26 0.15 117.16 136.71 1wwx n TYR 62 Ca -0.18 1.18 0.11 0.00 3.32 0.00 0.00 57.90 62.33 1wwx n TYR 62 Cb 0.57 -1.29 0.28 0.00 -0.63 0.00 0.00 39.34 38.27 1wwx n TYR 62 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1wwx h GLU 63 N 0.00 0.65 0.08 2.98 5.08 -1.96 0.17 114.58 121.57 1wwx h GLU 63 Ca 0.63 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.79 1wwx h GLU 63 Cb 1.37 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1wwx h GLU 63 CO -0.90 0.43 -0.82 0.87 -1.00 0.00 0.00 179.01 177.59 1wwx h LYS 64 N 0.67 0.16 -0.65 2.33 1.57 0.98 -3.36 116.57 118.28 1wwx h LYS 64 Ca 0.53 -0.28 0.13 0.00 -1.87 0.00 0.00 60.65 59.16 1wwx h LYS 64 Cb 0.83 0.10 -0.09 0.00 0.08 0.00 0.00 32.23 33.15 1wwx h LYS 64 CO -0.39 1.13 0.14 1.25 -0.57 0.00 0.00 179.45 181.01 1wwx h LEU 65 N -0.61 0.00 -1.64 2.94 6.46 -0.07 0.83 115.31 123.23 1wwx h LEU 65 Ca -0.18 0.12 0.40 0.00 -0.12 0.00 0.00 57.88 58.11 1wwx h LEU 65 Cb 1.46 0.17 -0.09 0.00 -0.73 0.00 0.00 40.66 41.46 1wwx h LEU 65 CO 0.04 -0.00 0.91 0.77 -0.62 0.00 0.00 178.44 179.53 1wwx h SER 66 N 0.27 0.19 -0.90 1.25 4.64 -0.82 0.26 113.55 118.43 1wwx h SER 66 Ca 0.35 0.07 0.24 0.00 -0.47 0.00 0.00 61.79 61.98 1wwx h SER 66 Cb 0.54 0.05 -0.13 0.00 -0.31 0.00 0.00 62.40 62.55 1wwx h SER 66 CO -0.44 -0.05 0.35 0.08 -0.87 0.00 0.00 176.83 175.89 1wwx h ARG 67 N 0.11 0.30 -0.04 4.77 0.11 -1.00 0.39 114.38 119.03 1wwx h ARG 67 Ca 0.73 -0.02 -0.20 0.00 0.10 0.00 0.00 59.98 60.60 1wwx h ARG 67 Cb 2.48 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 33.49 1wwx h ARG 67 CO -0.23 0.20 -0.82 0.00 0.10 0.00 0.00 179.97 179.23 1wwx h ALA 68 N 1.75 0.53 -0.54 0.08 0.00 -0.65 -2.61 119.26 117.82 1wwx h ALA 68 Ca 0.58 -0.66 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1wwx h ALA 68 Cb 1.15 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1wwx h ALA 68 CO -0.59 0.81 0.18 -0.07 0.00 0.00 0.00 179.25 179.58 1wwx h LEU 69 N 0.22 0.77 -0.77 0.00 3.38 -0.32 -0.82 115.31 117.77 1wwx h LEU 69 Ca -0.05 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1wwx h LEU 69 Cb 1.42 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1wwx h LEU 69 CO 0.14 0.76 0.00 0.03 0.09 0.00 0.00 178.44 179.46 1wwx h ARG 70 N 0.74 0.00 0.00 1.13 2.47 -0.81 -2.89 114.38 115.02 1wwx h ARG 70 Ca 0.18 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.90 1wwx h ARG 70 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1wwx h ARG 70 CO -0.01 0.00 -0.57 -0.92 0.56 0.00 0.00 179.97 179.03 1wwx h TYR 71 N 0.00 0.00 0.00 3.04 3.20 -1.02 -3.27 116.97 118.92 1wwx h TYR 71 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1wwx h TYR 71 Cb 0.74 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.01 1wwx h TYR 71 CO 0.00 0.00 0.00 0.66 -1.64 0.00 0.00 178.16 177.18 1wwx n TYR 72 N -2.19 0.09 0.07 -3.82 4.01 -0.36 -3.74 117.16 111.23 1wwx n TYR 72 Ca 0.03 0.03 -0.10 0.00 -0.16 0.00 0.00 57.90 57.70 1wwx n TYR 72 Cb 0.45 -0.54 -0.07 0.00 -0.31 0.00 0.00 39.34 38.86 1wwx n TYR 72 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1wwx h TYR 73 N 0.00 -0.25 -0.77 -0.72 0.05 -1.67 0.40 116.97 114.02 1wwx h TYR 73 Ca 0.00 -0.01 0.09 0.00 0.05 0.00 0.00 58.73 58.87 1wwx h TYR 73 Cb 0.51 0.08 -0.07 0.00 1.01 0.00 0.00 36.73 38.26 1wwx h TYR 73 CO 0.00 0.15 0.42 1.57 -1.05 0.00 0.00 178.16 179.24 1wwx h LYS 74 N -0.90 0.68 0.00 4.88 2.10 -1.77 0.46 116.57 122.02 1wwx h LYS 74 Ca -0.03 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.57 1wwx h LYS 74 Cb 0.50 -0.15 -0.00 0.00 -0.90 0.00 0.00 32.23 31.68 1wwx h LYS 74 CO 0.04 0.45 -0.05 1.79 -2.00 0.00 0.00 179.45 179.69 1wwx h THR 75 N 0.70 0.11 0.00 0.07 1.35 -1.65 -3.47 112.91 110.03 1wwx h THR 75 Ca 0.37 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1wwx h THR 75 Cb 0.36 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1wwx h THR 75 CO -0.25 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.68 1wwx n GLY 76 N 0.47 1.09 0.31 5.82 0.00 0.15 -4.82 105.19 108.21 1wwx n GLY 76 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 0.64 -1.82 -0.61 1.08 -0.61 -3.25 117.51 112.94 1wwx h ILE 77 Ca 0.00 -0.18 -0.58 0.00 -0.39 0.00 0.00 64.86 63.71 1wwx h ILE 77 Cb 0.00 0.05 -0.10 0.00 -3.07 0.00 0.00 36.82 33.70 1wwx h ILE 77 CO 0.00 0.10 -0.57 -0.76 -0.69 0.00 0.00 178.15 176.22 1wwx s LEU 78 N -10.41 3.05 -0.14 1.44 1.43 0.60 0.13 118.68 114.79 1wwx s LEU 78 Ca -0.12 -1.01 0.01 0.00 -1.03 0.00 0.00 54.13 51.99 1wwx s LEU 78 Cb 0.23 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 45.07 1wwx s LEU 78 CO 0.78 -0.34 -0.17 -1.61 0.23 0.00 0.00 176.35 175.25 1wwx s GLU 79 N -3.78 2.47 0.13 1.70 0.41 0.27 -4.26 118.70 115.64 1wwx s GLU 79 Ca 0.37 -0.64 -0.35 0.00 -0.41 0.00 0.00 54.97 53.94 1wwx s GLU 79 Cb 0.01 -2.15 -0.16 0.00 -1.78 0.00 0.00 34.13 30.06 1wwx s GLU 79 CO 0.20 -0.14 1.37 -2.13 -0.49 0.00 0.00 175.26 174.08 1wwx n ARG 80 N 4.45 1.44 -5.06 1.61 3.00 -1.26 -3.89 116.66 116.95 1wwx n ARG 80 Ca -0.19 0.52 -0.29 0.00 -0.00 0.00 0.00 57.85 57.89 1wwx n ARG 80 Cb 0.51 -2.17 -0.15 0.00 0.00 0.00 0.00 32.46 30.64 1wwx n ARG 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1wwx s VAL 81 N 0.45 1.88 -0.49 5.15 1.01 -1.26 -4.96 120.40 122.18 1wwx s VAL 81 Ca 0.81 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1wwx s VAL 81 Cb -0.86 -1.58 0.58 0.00 0.00 0.00 0.00 36.38 34.52 1wwx s VAL 81 CO 0.46 0.46 1.88 0.47 0.00 0.00 0.00 175.10 178.36 1wwx n ASP 82 N 2.29 4.78 -4.76 3.32 8.00 -1.26 -4.96 116.55 123.96 1wwx n ASP 82 Ca -0.16 -3.69 -0.32 0.00 0.71 0.00 0.00 54.79 51.33 1wwx n ASP 82 Cb 0.52 -0.84 -0.08 0.00 -0.02 0.00 0.00 41.12 40.71 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 -3.46 2.18 -0.21 -1.24 0.52 -1.26 -5.12 118.95 110.36 1wwx s ARG 83 Ca 0.58 -2.36 -0.17 0.00 -0.52 0.00 0.00 55.73 53.26 1wwx s ARG 83 Cb 0.48 -1.57 -0.04 0.00 0.52 0.00 0.00 34.95 34.34 1wwx s ARG 83 CO 0.06 -0.35 0.45 0.50 0.02 0.00 0.00 175.30 175.97 1wwx s ARG 84 N -3.89 4.15 -1.35 3.54 6.06 -1.26 -4.22 118.95 121.98 1wwx s ARG 84 Ca 0.09 0.27 -0.12 0.00 -2.50 0.00 0.00 55.73 53.47 1wwx s ARG 84 Cb 0.02 -3.57 0.09 0.00 0.06 0.00 0.00 34.95 31.56 1wwx s ARG 84 CO 0.05 -0.13 0.56 1.28 -2.50 0.00 0.00 175.30 174.56 1wwx n LEU 85 N 4.76 -1.55 -3.93 -0.88 4.32 -1.26 -4.88 117.00 113.58 1wwx n LEU 85 Ca -0.07 -0.53 -0.29 0.00 -0.02 0.00 0.00 56.01 55.11 1wwx n LEU 85 Cb 0.51 -2.08 -0.16 0.00 -1.62 0.00 0.00 43.42 40.06 1wwx n LEU 85 CO 0.40 0.19 -0.44 -0.69 -1.22 0.00 0.00 177.39 175.64 1wwx s VAL 86 N -2.99 1.29 0.42 4.08 1.01 -1.26 -0.23 120.40 122.72 1wwx s VAL 86 Ca 0.48 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.77 1wwx s VAL 86 Cb -0.26 -1.43 -0.06 0.00 0.00 0.00 0.00 36.38 34.64 1wwx s VAL 86 CO 0.59 0.14 0.12 -0.31 0.00 0.00 0.00 175.10 175.65 1wwx s TYR 87 N 1.55 2.50 -0.14 5.22 1.51 0.50 -4.57 117.35 123.93 1wwx s TYR 87 Ca 0.00 -0.65 -0.07 0.00 -1.01 0.00 0.00 57.07 55.34 1wwx s TYR 87 Cb -0.16 -1.88 0.05 0.00 -0.11 0.00 0.00 41.96 39.87 1wwx s TYR 87 CO -0.08 0.25 0.32 0.21 -1.11 0.00 0.00 175.55 175.14 1wwx s LYS 88 N -3.86 0.30 0.07 -0.62 2.20 -1.25 -0.29 119.74 116.29 1wwx s LYS 88 Ca 0.37 0.65 -0.31 0.00 -0.36 0.00 0.00 55.97 56.32 1wwx s LYS 88 Cb 0.05 -0.07 -0.06 0.00 -1.51 0.00 0.00 37.83 36.24 1wwx s LYS 88 CO 0.20 -0.16 1.23 -0.06 -0.36 0.00 0.00 175.35 176.20 1wwx s PHE 89 N 1.31 3.41 0.00 4.03 0.08 -1.15 0.97 117.98 126.62 1wwx s PHE 89 Ca -0.09 1.25 0.00 0.00 0.12 0.00 0.00 56.93 58.21 1wwx s PHE 89 Cb -0.09 -3.46 0.00 0.00 -0.57 0.00 0.00 43.02 38.89 1wwx s PHE 89 CO -0.10 -1.45 0.00 0.41 -0.10 0.00 0.00 175.22 173.97 1wwx n GLY 90 N 3.22 -1.33 0.09 4.36 0.00 0.12 -4.70 105.19 106.94 1wwx n GLY 90 Ca 0.09 -1.49 -0.11 0.00 0.00 0.00 0.00 46.02 44.51 1wwx n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wwx h LYS 91 N 0.00 0.10 -0.63 1.61 1.57 -1.81 -3.31 116.57 114.10 1wwx h LYS 91 Ca 0.00 -0.17 0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1wwx h LYS 91 Cb 0.00 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 1wwx h LYS 91 CO 0.00 0.94 0.42 -0.91 -0.57 0.00 0.00 179.45 179.33 1wwx h ASN 92 N 0.03 0.53 -2.80 0.86 2.35 -1.83 -3.38 115.58 111.34 1wwx h ASN 92 Ca -0.16 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.05 1wwx h ASN 92 Cb 1.92 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 40.12 1wwx h ASN 92 CO 0.13 0.34 1.10 0.00 -1.65 0.00 0.00 177.43 177.36 1wwx s ALA 93 N -5.55 2.80 -0.25 -0.83 0.00 -1.25 -4.90 121.76 111.79 1wwx s ALA 93 Ca -0.09 -0.70 -0.08 0.00 0.00 0.00 0.00 51.96 51.09 1wwx s ALA 93 Cb 0.19 -4.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.17 1wwx s ALA 93 CO 0.76 -2.95 0.10 -3.38 0.00 0.00 0.00 175.76 170.29 1wwx s HIS 94 N 6.07 3.14 0.00 0.00 -3.43 -1.26 -4.60 115.29 115.20 1wwx s HIS 94 Ca 0.52 -0.23 0.00 0.00 -0.80 0.00 0.00 55.06 54.55 1wwx s HIS 94 Cb -0.11 -2.26 0.00 0.00 -1.43 0.00 0.00 32.58 28.78 1wwx s HIS 94 CO 0.25 -0.26 0.00 0.41 -2.00 0.00 0.00 174.74 173.14 1wwx n GLY 95 N 4.84 1.76 0.08 -1.38 0.00 -1.26 -5.00 105.19 104.22 1wwx n GLY 95 Ca -0.16 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 -3.34 1.61 5.08 -1.95 -3.47 115.95 113.88 1wwx h TRP 96 Ca 0.00 0.00 -0.57 0.00 1.08 0.00 0.00 58.89 59.40 1wwx h TRP 96 Cb 0.00 0.00 0.17 0.00 -3.00 0.00 0.00 29.16 26.33 1wwx h TRP 96 CO 0.00 0.94 -0.09 0.00 -1.28 0.00 0.00 178.44 178.01 1wwx n GLN 97 N -4.55 0.71 -1.94 0.12 10.64 -1.26 -4.93 117.38 116.17 1wwx n GLN 97 Ca -0.18 0.28 -0.34 0.00 -1.83 0.00 0.00 57.00 54.93 1wwx n GLN 97 Cb 0.48 -1.98 0.03 0.00 -0.86 0.00 0.00 30.24 27.92 1wwx n GLN 97 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1wwx s GLU 98 N -2.51 2.98 0.03 2.61 2.02 -1.26 -5.06 118.70 117.51 1wwx s GLU 98 Ca 0.73 1.53 0.04 0.00 0.02 0.00 0.00 54.97 57.29 1wwx s GLU 98 Cb -0.42 -1.96 -0.02 0.00 0.10 0.00 0.00 34.13 31.83 1wwx s GLU 98 CO 0.50 -1.14 -0.11 0.16 0.02 0.00 0.00 175.26 174.69 1wwx s ASP 99 N -2.17 1.25 0.98 -0.19 1.47 -1.26 -5.09 116.67 111.66 1wwx s ASP 99 Ca 0.70 -0.40 -0.12 0.00 1.18 0.00 0.00 52.55 53.91 1wwx s ASP 99 Cb -0.23 -0.07 0.12 0.00 -0.34 0.00 0.00 42.92 42.40 1wwx s ASP 99 CO 0.36 -0.02 0.75 0.29 0.68 0.00 0.00 175.17 177.23 1wwx n LYS 100 N 2.02 -0.73 -4.03 2.11 5.02 -1.26 -5.04 118.16 116.24 1wwx n LYS 100 Ca -0.18 -0.16 -0.14 0.00 -2.02 0.00 0.00 58.31 55.81 1wwx n LYS 100 Cb 0.55 -2.10 -0.14 0.00 -0.02 0.00 0.00 35.03 33.33 1wwx n LYS 100 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wwx s LEU 101 N -4.13 2.05 -0.80 -0.35 1.02 -1.26 -5.10 118.68 110.11 1wwx s LEU 101 Ca 0.62 -0.15 -0.15 0.00 0.02 0.00 0.00 54.13 54.48 1wwx s LEU 101 Cb -0.22 -0.14 0.19 0.00 0.02 0.00 0.00 46.19 46.05 1wwx s LEU 101 CO 0.63 -0.02 0.80 -0.44 0.02 0.00 0.00 176.35 177.34 1wwx s SER 102 N -0.35 6.66 -0.34 2.29 0.01 -1.26 -4.83 113.70 115.88 1wwx s SER 102 Ca -0.01 -2.43 -0.05 0.00 1.31 0.00 0.00 55.95 54.77 1wwx s SER 102 Cb -0.03 -2.25 0.23 0.00 0.21 0.00 0.00 66.02 64.19 1wwx s SER 102 CO -0.00 -0.71 1.15 0.61 0.41 0.00 0.00 173.24 174.69 1wwx n GLY 103 N 4.42 -1.70 3.77 3.44 0.00 -1.26 -5.16 105.19 108.70 1wwx n GLY 103 Ca 0.12 1.18 -0.37 0.00 0.00 0.00 0.00 46.02 46.94 1wwx n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wwx s PRO 104 N 0.68 3.78 0.21 1.61 0.04 -1.26 -4.96 135.00 135.11 1wwx s PRO 104 Ca 0.24 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1wwx s PRO 104 Cb 0.16 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1wwx s PRO 104 CO -0.10 -0.53 0.00 0.45 0.04 0.00 0.00 177.00 176.86 1wwx n SER 105 N -0.44 0.20 -3.70 6.66 2.88 -1.26 -5.13 113.62 112.84 1wwx n SER 105 Ca 0.07 0.36 -0.13 0.00 -1.33 0.00 0.00 58.87 57.83 1wwx n SER 105 Cb 0.48 0.17 -0.09 0.00 -0.75 0.00 0.00 64.21 64.02 1wwx n SER 105 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wwx s SER 106 N -5.28 -0.53 0.00 -3.46 1.04 -1.26 -5.38 113.70 98.82 1wwx s SER 106 Ca 0.00 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.45 1wwx s SER 106 Cb 0.00 1.03 0.00 0.00 0.10 0.00 0.00 66.02 67.15 1wwx s SER 106 CO 0.00 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.65