#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 -0.24 0.34 1.61 0.15 -1.26 -5.16 113.70 109.15 1wwx s SER 2 Ca 0.00 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.07 1wwx s SER 2 Cb 0.00 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1wwx s SER 2 CO 0.00 -0.11 0.00 -0.24 1.20 0.00 0.00 173.24 174.09 1wwx n SER 3 N 1.62 -4.52 0.00 5.45 2.88 -1.26 -5.09 113.62 112.70 1wwx n SER 3 Ca -0.10 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 1wwx n SER 3 Cb 0.57 -2.64 0.00 0.00 -0.75 0.00 0.00 64.21 61.39 1wwx n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wwx n GLY 4 N -2.84 0.82 3.16 0.46 0.00 -1.26 -5.08 105.19 100.45 1wwx n GLY 4 Ca -0.03 -2.26 0.05 0.00 0.00 0.00 0.00 46.02 43.77 1wwx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wwx s SER 5 N -0.58 -0.87 -0.07 1.61 1.04 -1.26 -5.16 113.70 108.41 1wwx s SER 5 Ca 0.00 0.57 0.02 0.00 0.48 0.00 0.00 55.95 57.02 1wwx s SER 5 Cb 0.00 1.74 0.02 0.00 0.10 0.00 0.00 66.02 67.88 1wwx s SER 5 CO 0.00 -0.16 -0.10 -0.44 0.98 0.00 0.00 173.24 173.52 1wwx s SER 6 N 2.90 1.69 0.05 7.02 0.01 -1.26 -5.14 113.70 118.96 1wwx s SER 6 Ca 0.08 -0.27 0.02 0.00 1.31 0.00 0.00 55.95 57.09 1wwx s SER 6 Cb -0.12 -0.76 -0.03 0.00 0.21 0.00 0.00 66.02 65.32 1wwx s SER 6 CO -0.16 -0.01 -0.07 -0.83 0.41 0.00 0.00 173.24 172.59 1wwx s GLY 7 N 0.88 0.52 0.11 3.44 0.00 -1.26 -5.06 107.32 105.94 1wwx s GLY 7 Ca -0.11 -0.84 -0.24 0.00 0.00 0.00 0.00 44.72 43.52 1wwx s GLY 7 CO 0.01 -0.91 1.68 1.76 0.00 0.00 0.00 173.10 175.65 1wwx h SER 8 N 4.26 -0.38 0.00 1.64 0.02 -1.99 -3.45 113.55 113.64 1wwx h SER 8 Ca -0.35 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1wwx h SER 8 Cb 1.20 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1wwx h SER 8 CO 0.45 -0.20 0.00 -0.24 -1.14 0.00 0.00 176.83 175.70 1wwx n SER 9 N -5.26 0.00 -4.77 3.07 2.88 -1.26 -4.82 113.62 103.45 1wwx n SER 9 Ca -0.06 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.09 1wwx n SER 9 Cb 0.18 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.59 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 0.00 3.79 0.14 0.66 3.76 -1.26 -4.98 115.29 117.41 1wwx s HIS 10 Ca 0.00 1.42 -0.27 0.00 -0.15 0.00 0.00 55.06 56.06 1wwx s HIS 10 Cb 0.00 -2.69 -0.02 0.00 1.11 0.00 0.00 32.58 30.98 1wwx s HIS 10 CO 0.00 0.43 1.59 1.25 -0.85 0.00 0.00 174.74 177.16 1wwx h LEU 11 N 5.02 -1.18 -1.04 0.89 7.12 -1.99 0.30 115.31 124.42 1wwx h LEU 11 Ca -0.46 0.17 0.22 0.00 0.13 0.00 0.00 57.88 57.94 1wwx h LEU 11 Cb 1.21 0.50 -0.11 0.00 -0.53 0.00 0.00 40.66 41.72 1wwx h LEU 11 CO 0.68 -0.38 0.61 4.11 -0.13 0.00 0.00 178.44 183.32 1wwx h TRP 12 N -0.40 1.01 -0.22 1.25 5.08 -1.95 0.31 115.95 121.02 1wwx h TRP 12 Ca 0.10 0.03 -0.12 0.00 1.08 0.00 0.00 58.89 59.99 1wwx h TRP 12 Cb 0.58 -0.30 -0.01 0.00 -3.00 0.00 0.00 29.16 26.43 1wwx h TRP 12 CO -0.48 0.14 -0.38 0.93 -1.28 0.00 0.00 178.44 177.37 1wwx h GLU 13 N 0.65 0.48 0.12 0.12 5.08 -1.37 -1.14 114.58 118.52 1wwx h GLU 13 Ca 0.61 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.73 1wwx h GLU 13 Cb 1.10 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1wwx h GLU 13 CO -0.41 0.79 -0.06 0.35 -1.00 0.00 0.00 179.01 178.68 1wwx h PHE 14 N 0.41 -0.15 -0.52 4.33 3.04 0.14 0.24 116.94 124.43 1wwx h PHE 14 Ca 0.04 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.93 1wwx h PHE 14 Cb 0.85 0.05 -0.02 0.00 2.56 0.00 0.00 35.95 39.39 1wwx h PHE 14 CO 0.03 0.18 0.08 -0.24 -2.02 0.00 0.00 178.31 176.33 1wwx h VAL 15 N -0.50 1.23 -0.08 1.41 3.04 -1.18 -2.74 116.25 117.44 1wwx h VAL 15 Ca -0.02 -0.90 -0.05 0.00 -1.01 0.00 0.00 66.70 64.73 1wwx h VAL 15 Cb 0.40 0.75 -0.00 0.00 -2.01 0.00 0.00 31.29 30.43 1wwx h VAL 15 CO 0.03 0.33 -0.13 -0.09 -1.01 0.00 0.00 177.57 176.69 1wwx h ARG 16 N 0.79 0.23 -1.00 4.17 2.43 -1.17 -3.19 114.38 116.64 1wwx h ARG 16 Ca 0.17 -0.14 0.19 0.00 -0.81 0.00 0.00 59.98 59.39 1wwx h ARG 16 Cb 0.36 0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 29.82 1wwx h ARG 16 CO 0.01 0.72 0.61 0.22 -1.51 0.00 0.00 179.97 180.01 1wwx h ASP 17 N -0.24 0.78 -0.92 -3.80 1.82 -0.41 0.40 116.42 114.05 1wwx h ASP 17 Ca 0.01 0.10 0.17 0.00 -0.39 0.00 0.00 57.03 56.92 1wwx h ASP 17 Cb 0.70 -0.04 -0.10 0.00 0.68 0.00 0.00 39.33 40.57 1wwx h ASP 17 CO 0.03 0.26 0.51 -0.07 -1.61 0.00 0.00 179.24 178.36 1wwx h LEU 18 N 0.75 0.63 -0.60 2.28 3.38 -1.47 1.01 115.31 121.28 1wwx h LEU 18 Ca 0.58 0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.59 1wwx h LEU 18 Cb 0.92 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1wwx h LEU 18 CO -0.39 0.23 0.11 -0.07 0.09 0.00 0.00 178.44 178.41 1wwx h LEU 19 N 0.67 0.94 -0.03 1.67 3.38 -1.01 -2.62 115.31 118.30 1wwx h LEU 19 Ca 0.52 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1wwx h LEU 19 Cb 0.79 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1wwx h LEU 19 CO -0.39 0.95 0.00 -0.07 0.09 0.00 0.00 178.44 179.02 1wwx h LEU 20 N 0.89 0.00 -7.25 1.67 3.38 -0.85 -3.38 115.31 109.77 1wwx h LEU 20 Ca 0.18 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.48 1wwx h LEU 20 Cb 0.40 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 40.77 1wwx h LEU 20 CO 0.01 0.00 -0.25 -0.44 0.09 0.00 0.00 178.44 177.85 1wwx s SER 21 N -5.92 5.61 0.19 -0.43 0.01 0.33 -4.88 113.70 108.61 1wwx s SER 21 Ca 0.07 -3.75 0.21 0.00 1.31 0.00 0.00 55.95 53.80 1wwx s SER 21 Cb 0.06 -1.82 0.89 0.00 0.21 0.00 0.00 66.02 65.36 1wwx s SER 21 CO 0.65 -0.16 1.65 -0.81 0.41 0.00 0.00 173.24 174.99 1wwx n PRO 22 N 2.24 0.15 0.14 12.44 -0.04 -1.24 -1.55 135.00 147.14 1wwx n PRO 22 Ca 0.20 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1wwx n PRO 22 Cb 0.36 -1.78 0.15 0.00 -0.04 0.00 0.00 33.50 32.19 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 -3.35 114.58 114.96 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 0.33 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 1wwx h GLU 23 CO 0.00 0.61 -2.37 0.39 -1.00 0.00 0.00 179.01 176.64 1wwx n GLU 24 N -3.59 0.57 -2.15 2.33 -0.58 -1.03 -4.94 120.64 111.24 1wwx n GLU 24 Ca -0.00 0.18 -0.42 0.00 -0.42 0.00 0.00 57.16 56.49 1wwx n GLU 24 Cb 0.66 -1.44 -0.03 0.00 -0.57 0.00 0.00 31.44 30.06 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 -6.72 6.80 -0.68 1.62 2.47 -0.59 -4.98 114.94 112.86 1wwx s ASN 25 Ca -0.33 2.27 0.01 0.00 0.42 0.00 0.00 52.86 55.23 1wwx s ASN 25 Cb 0.11 -2.57 0.17 0.00 -1.45 0.00 0.00 41.25 37.50 1wwx s ASN 25 CO 0.50 -0.72 0.48 0.00 -3.72 0.00 0.00 177.10 173.65 1wwx n GLY 27 N 2.69 -0.50 0.11 0.00 0.00 -1.26 -4.87 105.19 101.37 1wwx n GLY 27 Ca 0.14 0.16 -0.16 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.69 0.75 -3.41 -0.61 2.04 -1.91 -3.35 117.51 109.33 1wwx h ILE 28 Ca -0.53 -2.52 -0.43 0.00 1.00 0.00 0.00 64.86 62.38 1wwx h ILE 28 Cb 1.35 2.49 -0.14 0.00 -0.74 0.00 0.00 36.82 39.78 1wwx h ILE 28 CO 0.63 0.73 -0.58 -0.76 0.00 0.00 0.00 178.15 178.16 1wwx s LEU 29 N -6.65 1.83 -0.05 1.44 1.43 -1.26 -0.78 118.68 114.65 1wwx s LEU 29 Ca -0.14 -1.48 -0.07 0.00 -1.03 0.00 0.00 54.13 51.41 1wwx s LEU 29 Cb 0.07 -0.04 0.01 0.00 0.03 0.00 0.00 46.19 46.26 1wwx s LEU 29 CO 0.80 -0.78 0.18 -1.61 0.23 0.00 0.00 176.35 175.17 1wwx s GLU 30 N -3.89 0.33 -0.76 1.70 2.02 0.08 -4.77 118.70 113.42 1wwx s GLU 30 Ca 0.34 0.03 -0.21 0.00 0.02 0.00 0.00 54.97 55.16 1wwx s GLU 30 Cb 0.06 0.15 0.09 0.00 0.10 0.00 0.00 34.13 34.53 1wwx s GLU 30 CO 0.15 -0.06 1.02 -1.58 0.02 0.00 0.00 175.26 174.81 1wwx s TRP 31 N -0.44 2.83 0.00 1.61 0.23 -1.26 -0.60 118.94 121.31 1wwx s TRP 31 Ca -0.05 -0.86 0.15 0.00 -2.03 0.00 0.00 56.10 53.31 1wwx s TRP 31 Cb -0.04 -4.29 0.24 0.00 0.03 0.00 0.00 33.47 29.41 1wwx s TRP 31 CO 0.01 -1.59 1.52 0.93 0.96 0.00 0.00 176.95 178.78 1wwx h GLU 32 N 9.31 0.00 -0.69 4.98 4.39 -1.46 -3.44 114.58 127.68 1wwx h GLU 32 Ca -0.12 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.72 1wwx h GLU 32 Cb 1.05 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.50 1wwx h GLU 32 CO 1.16 0.53 -0.14 -0.51 -1.16 0.00 0.00 179.01 178.90 1wwx s ASP 33 N -6.50 -1.02 0.12 1.42 1.01 -0.77 -4.92 116.67 106.00 1wwx s ASP 33 Ca 0.02 0.43 -0.14 0.00 0.71 0.00 0.00 52.55 53.57 1wwx s ASP 33 Cb 0.09 1.77 -0.05 0.00 1.01 0.00 0.00 42.92 45.74 1wwx s ASP 33 CO 0.74 -0.19 1.50 0.03 0.21 0.00 0.00 175.17 177.45 1wwx h ARG 34 N 7.88 0.73 0.20 8.23 2.47 -1.85 0.93 114.38 132.98 1wwx h ARG 34 Ca -0.13 -0.31 -0.01 0.00 -1.26 0.00 0.00 59.98 58.27 1wwx h ARG 34 Cb 1.17 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 1wwx h ARG 34 CO 0.08 0.92 -0.09 0.93 0.56 0.00 0.00 179.97 182.36 1wwx h GLU 35 N 0.52 -0.26 -0.01 0.04 5.08 -1.96 -3.00 114.58 115.00 1wwx h GLU 35 Ca 0.08 0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.27 1wwx h GLU 35 Cb 0.68 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1wwx h GLU 35 CO 0.05 -0.15 -0.84 1.96 -1.00 0.00 0.00 179.01 179.03 1wwx h GLN 36 N -0.28 0.18 0.00 2.33 4.20 -1.97 -3.47 115.11 116.09 1wwx h GLN 36 Ca -0.03 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.50 1wwx h GLN 36 Cb 0.22 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1wwx h GLN 36 CO 0.04 0.91 0.00 0.41 -0.67 0.00 0.00 178.83 179.53 1wwx n GLY 37 N 0.79 1.19 3.77 3.46 0.00 0.30 -4.79 105.19 109.91 1wwx n GLY 37 Ca -0.03 -0.35 -0.39 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 4.81 0.03 -0.61 1.01 0.15 -2.62 121.20 121.98 1wwx s ILE 38 Ca 0.00 1.36 0.02 0.00 0.00 0.00 0.00 60.65 62.02 1wwx s ILE 38 Cb 0.00 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 1wwx s ILE 38 CO 0.00 0.43 -0.06 0.72 0.00 0.00 0.00 174.94 176.03 1wwx s PHE 39 N -0.33 0.53 -0.03 3.97 -0.71 0.15 -1.11 117.98 120.46 1wwx s PHE 39 Ca 0.33 -0.46 0.02 0.00 -1.04 0.00 0.00 56.93 55.78 1wwx s PHE 39 Cb -0.19 -0.33 -0.03 0.00 -1.21 0.00 0.00 43.02 41.26 1wwx s PHE 39 CO 0.19 -0.10 -0.06 0.50 -1.34 0.00 0.00 175.22 174.42 1wwx s ARG 40 N -1.39 2.67 -1.10 1.99 3.52 0.23 -1.05 118.95 123.83 1wwx s ARG 40 Ca -0.10 -0.63 -0.14 0.00 -0.13 0.00 0.00 55.73 54.73 1wwx s ARG 40 Cb -0.09 -2.57 0.18 0.00 -1.56 0.00 0.00 34.95 30.91 1wwx s ARG 40 CO 0.00 0.63 1.28 0.08 -0.81 0.00 0.00 175.30 176.48 1wwx s VAL 41 N -0.94 5.12 0.15 7.11 1.01 0.33 -0.74 120.40 132.44 1wwx s VAL 41 Ca 0.15 -2.47 -0.18 0.00 0.00 0.00 0.00 61.98 59.49 1wwx s VAL 41 Cb -0.11 -4.81 0.03 0.00 0.00 0.00 0.00 36.38 31.49 1wwx s VAL 41 CO 0.05 -1.50 1.70 0.58 0.00 0.00 0.00 175.10 175.93 1wwx h VAL 42 N 4.83 0.73 -3.60 2.92 2.07 -1.23 -3.36 116.25 118.61 1wwx h VAL 42 Ca 0.25 -0.01 -0.69 0.00 0.82 0.00 0.00 66.70 67.06 1wwx h VAL 42 Cb 0.92 0.68 -0.33 0.00 -1.52 0.00 0.00 31.29 31.04 1wwx h VAL 42 CO 1.15 0.01 -0.60 -0.54 0.02 0.00 0.00 177.57 177.61 1wwx s LYS 43 N -6.20 2.20 0.38 1.57 1.02 -0.52 -4.94 119.74 113.27 1wwx s LYS 43 Ca -0.13 -1.57 0.21 0.00 0.02 0.00 0.00 55.97 54.49 1wwx s LYS 43 Cb 0.12 -3.44 0.33 0.00 -0.52 0.00 0.00 37.83 34.32 1wwx s LYS 43 CO 0.70 -0.88 1.58 0.66 -0.92 0.00 0.00 175.35 176.49 1wwx h SER 44 N 8.05 0.00 0.71 2.83 4.64 -1.86 -2.48 113.55 125.44 1wwx h SER 44 Ca -0.17 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.90 1wwx h SER 44 Cb 1.06 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.11 1wwx h SER 44 CO 0.63 0.21 -1.39 1.05 -0.87 0.00 0.00 176.83 176.46 1wwx h GLU 45 N 0.00 0.02 0.17 4.77 4.11 -1.95 -3.24 114.58 118.46 1wwx h GLU 45 Ca -0.00 -0.03 -0.31 0.00 0.07 0.00 0.00 59.36 59.09 1wwx h GLU 45 Cb 1.10 0.01 0.03 0.00 0.50 0.00 0.00 28.75 30.39 1wwx h GLU 45 CO 0.03 0.76 -1.33 0.00 0.07 0.00 0.00 179.01 178.54 1wwx h ALA 46 N 0.96 -0.02 -0.68 1.06 0.00 -1.97 -2.16 119.26 116.45 1wwx h ALA 46 Ca -0.16 -0.83 -0.02 0.00 0.00 0.00 0.00 54.91 53.90 1wwx h ALA 46 Cb 1.91 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.77 1wwx h ALA 46 CO 0.11 0.77 0.36 1.25 0.00 0.00 0.00 179.25 181.74 1wwx h LEU 47 N 0.17 0.86 -0.03 0.00 5.85 -1.58 -0.83 115.31 119.76 1wwx h LEU 47 Ca -0.20 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.36 1wwx h LEU 47 Cb 2.02 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.83 1wwx h LEU 47 CO 0.24 0.72 -0.19 0.00 -0.34 0.00 0.00 178.44 178.87 1wwx h ALA 48 N 1.18 0.06 -0.25 1.25 0.00 -1.65 -1.79 119.26 118.06 1wwx h ALA 48 Ca 0.24 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1wwx h ALA 48 Cb 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1wwx h ALA 48 CO -0.04 0.04 -0.12 0.87 0.00 0.00 0.00 179.25 180.00 1wwx h LYS 49 N -0.42 -0.09 -0.40 0.00 1.57 -1.31 0.13 116.57 116.05 1wwx h LYS 49 Ca -0.02 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1wwx h LYS 49 Cb 0.88 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 1wwx h LYS 49 CO 0.04 -0.06 0.06 0.52 -0.57 0.00 0.00 179.45 179.44 1wwx h MET 50 N -0.09 0.66 -0.16 3.15 2.86 -1.24 -3.05 114.93 117.05 1wwx h MET 50 Ca 0.13 -0.18 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1wwx h MET 50 Cb 0.29 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 1wwx h MET 50 CO -0.31 0.72 -0.07 2.35 1.06 0.00 0.00 176.91 180.66 1wwx h TRP 51 N 0.51 -0.16 -0.67 -0.22 -0.00 -0.76 -2.49 115.95 112.16 1wwx h TRP 51 Ca 0.12 0.02 0.14 0.00 -0.00 0.00 0.00 58.89 59.16 1wwx h TRP 51 Cb 0.38 0.09 -0.10 0.00 -0.00 0.00 0.00 29.16 29.54 1wwx h TRP 51 CO 0.03 -0.11 0.14 0.78 -0.00 0.00 0.00 178.44 179.28 1wwx h GLY 52 N -0.04 0.88 0.43 2.65 0.00 -0.71 0.19 103.07 106.48 1wwx h GLY 52 Ca 0.09 -0.02 0.22 0.00 0.00 0.00 0.00 47.33 47.62 1wwx h GLY 52 CO -0.19 -0.17 0.56 1.46 0.00 0.00 0.00 176.54 178.20 1wwx h GLN 53 N 0.25 0.07 -0.21 4.80 1.08 -1.34 0.51 115.11 120.28 1wwx h GLN 53 Ca 0.37 -0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.36 1wwx h GLN 53 Cb 0.59 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 28.01 1wwx h GLN 53 CO -0.47 0.05 -0.68 0.00 -0.95 0.00 0.00 178.83 176.77 1wwx h ARG 54 N 0.07 0.81 -0.60 1.46 2.47 -0.57 -3.07 114.38 114.95 1wwx h ARG 54 Ca 0.38 -0.59 0.00 0.00 -1.26 0.00 0.00 59.98 58.51 1wwx h ARG 54 Cb 1.42 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.84 1wwx h ARG 54 CO -0.03 1.21 0.00 1.63 0.56 0.00 0.00 179.97 183.34 1wwx n LYS 55 N -3.96 2.58 -2.74 0.04 4.76 0.38 -4.92 118.16 114.31 1wwx n LYS 55 Ca -0.06 -2.16 -0.20 0.00 -2.87 0.00 0.00 58.31 53.02 1wwx n LYS 55 Cb 0.70 -1.54 0.01 0.00 -1.84 0.00 0.00 35.03 32.35 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 1.13 -3.04 -3.35 1.97 4.01 0.15 -4.92 118.16 114.11 1wwx n LYS 56 Ca 0.20 0.80 -0.46 0.00 -0.51 0.00 0.00 58.31 58.34 1wwx n LYS 56 Cb 0.56 -5.52 -0.02 0.00 -0.51 0.00 0.00 35.03 29.54 1wwx n LYS 56 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 1wwx s ASN 57 N -2.34 6.73 0.34 4.39 3.84 0.18 -4.87 114.94 123.19 1wwx s ASN 57 Ca 0.15 -2.76 0.21 0.00 0.21 0.00 0.00 52.86 50.67 1wwx s ASN 57 Cb -0.07 -2.19 1.17 0.00 -0.55 0.00 0.00 41.25 39.60 1wwx s ASN 57 CO 0.18 -0.54 1.64 0.44 -2.79 0.00 0.00 177.10 176.04 1wwx h ASP 58 N 7.67 0.00 -0.77 -4.21 5.19 -1.91 -0.62 116.42 121.76 1wwx h ASP 58 Ca 0.11 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 56.01 1wwx h ASP 58 Cb 1.03 0.00 -0.29 0.00 0.18 0.00 0.00 39.33 40.24 1wwx h ASP 58 CO 0.76 0.00 0.13 0.54 -3.12 0.00 0.00 179.24 177.55 1wwx n ARG 59 N -2.27 2.71 -3.00 3.56 1.74 -1.26 -5.01 116.66 113.14 1wwx n ARG 59 Ca -0.01 -3.50 -0.40 0.00 -0.77 0.00 0.00 57.85 53.17 1wwx n ARG 59 Cb 0.07 -2.16 -0.05 0.00 -1.02 0.00 0.00 32.46 29.30 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 -3.57 4.49 -0.03 5.56 1.75 -0.24 -5.01 119.30 122.26 1wwx s MET 60 Ca 0.55 1.06 -0.23 0.00 -1.25 0.00 0.00 55.69 55.82 1wwx s MET 60 Cb 0.45 -3.34 0.05 0.00 2.84 0.00 0.00 34.83 34.83 1wwx s MET 60 CO 0.02 0.36 0.50 -0.08 -0.65 0.00 0.00 175.02 175.17 1wwx s THR 61 N -0.33 0.03 0.30 10.11 -1.32 -1.26 -4.45 115.64 118.72 1wwx s THR 61 Ca 0.37 -0.24 0.02 0.00 -1.21 0.00 0.00 61.69 60.64 1wwx s THR 61 Cb -0.21 -0.82 0.39 0.00 -1.51 0.00 0.00 72.50 70.35 1wwx s THR 61 CO 0.23 -0.13 1.58 0.22 -2.21 0.00 0.00 174.62 174.32 1wwx h TYR 62 N 3.38 0.03 -1.00 9.09 3.20 -1.91 0.97 116.97 130.73 1wwx h TYR 62 Ca -0.28 0.07 0.26 0.00 3.14 0.00 0.00 58.73 61.91 1wwx h TYR 62 Cb 1.16 0.14 -0.13 0.00 1.54 0.00 0.00 36.73 39.45 1wwx h TYR 62 CO 0.45 -0.40 0.59 1.49 -1.64 0.00 0.00 178.16 178.65 1wwx h GLU 63 N 0.04 0.52 0.04 1.82 4.81 -1.96 0.24 114.58 120.08 1wwx h GLU 63 Ca 0.59 -0.03 -0.22 0.00 -0.13 0.00 0.00 59.36 59.57 1wwx h GLU 63 Cb 1.23 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 1wwx h GLU 63 CO -0.87 0.34 -1.16 0.87 -0.73 0.00 0.00 179.01 177.47 1wwx h LYS 64 N 0.54 0.07 -1.01 1.92 1.57 0.40 -3.37 116.57 116.69 1wwx h LYS 64 Ca 0.66 -0.13 0.23 0.00 -1.87 0.00 0.00 60.65 59.54 1wwx h LYS 64 Cb 1.31 0.05 -0.12 0.00 0.08 0.00 0.00 32.23 33.55 1wwx h LYS 64 CO -0.50 1.06 0.60 1.25 -0.57 0.00 0.00 179.45 181.30 1wwx h LEU 65 N -0.76 0.70 -1.88 2.94 6.46 0.03 0.48 115.31 123.28 1wwx h LEU 65 Ca -0.29 0.12 0.07 0.00 -0.12 0.00 0.00 57.88 57.66 1wwx h LEU 65 Cb 1.41 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 41.34 1wwx h LEU 65 CO -0.10 0.15 0.24 0.28 -0.62 0.00 0.00 178.44 178.40 1wwx h SER 66 N 0.63 0.13 -1.00 1.25 0.02 -0.71 -2.02 113.55 111.86 1wwx h SER 66 Ca 0.62 0.00 0.31 0.00 -0.84 0.00 0.00 61.79 61.88 1wwx h SER 66 Cb 1.14 -0.03 -0.14 0.00 0.14 0.00 0.00 62.40 63.51 1wwx h SER 66 CO -0.44 0.08 0.56 0.08 -1.14 0.00 0.00 176.83 175.97 1wwx h ARG 67 N 0.15 0.35 0.05 3.45 0.11 -0.18 0.65 114.38 118.95 1wwx h ARG 67 Ca 0.16 -0.02 -0.23 0.00 0.10 0.00 0.00 59.98 59.99 1wwx h ARG 67 Cb 0.45 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.44 1wwx h ARG 67 CO -0.02 0.23 -1.03 0.00 0.10 0.00 0.00 179.97 179.25 1wwx h ALA 68 N 1.83 0.33 -0.60 0.08 0.00 -1.50 -2.19 119.26 117.21 1wwx h ALA 68 Ca 0.71 -0.82 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1wwx h ALA 68 Cb 1.58 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1wwx h ALA 68 CO -0.59 1.01 0.02 -0.07 0.00 0.00 0.00 179.25 179.63 1wwx h LEU 69 N 0.07 1.01 0.00 0.00 3.38 0.14 -0.54 115.31 119.38 1wwx h LEU 69 Ca -0.07 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1wwx h LEU 69 Cb 1.73 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1wwx h LEU 69 CO 0.16 1.06 -0.24 0.03 0.09 0.00 0.00 178.44 179.54 1wwx h ARG 70 N 0.94 0.00 0.00 1.13 2.47 -0.78 -3.22 114.38 114.91 1wwx h ARG 70 Ca 0.17 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 1wwx h ARG 70 Cb 0.53 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1wwx h ARG 70 CO 0.03 0.00 -0.65 -0.92 0.56 0.00 0.00 179.97 178.98 1wwx h TYR 71 N 0.00 0.00 0.00 3.04 5.03 -1.07 -3.29 116.97 120.68 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 0.90 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.18 1wwx h TYR 71 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 178.16 178.72 1wwx h TYR 72 N 0.00 0.00 0.00 -3.82 0.05 -1.11 -3.09 116.97 109.00 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 0.87 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.61 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 -2.67 0.00 -0.10 4.88 4.01 -1.24 -1.10 117.16 120.94 1wwx n TYR 73 Ca 0.04 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.63 1wwx n TYR 73 Cb 0.43 -0.16 -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 -1.16 0.67 0.00 -0.72 5.02 -1.17 -4.35 118.16 116.45 1wwx n LYS 74 Ca 0.09 0.11 0.12 0.00 -2.02 0.00 0.00 58.31 56.60 1wwx n LYS 74 Cb 0.08 -1.55 0.20 0.00 -0.02 0.00 0.00 35.03 33.75 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 -3.09 0.00 0.00 -0.18 -2.24 -0.99 -4.94 114.28 102.84 1wwx n THR 75 Ca -0.39 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1wwx n THR 75 Cb 1.06 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 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 1.46 3.06 0.33 3.38 0.00 -0.26 -4.80 105.19 108.36 1wwx n GLY 76 Ca 0.07 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.00 -0.40 -4.43 -0.61 2.08 -1.05 -3.59 119.36 109.36 1wwx n ILE 77 Ca 0.00 2.07 -0.26 0.00 0.56 0.00 0.00 62.75 65.13 1wwx n ILE 77 Cb 0.00 -3.08 -0.09 0.00 -0.75 0.00 0.00 39.64 35.72 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 -10.75 2.90 -0.21 1.39 1.43 -1.18 -0.39 118.68 111.87 1wwx s LEU 78 Ca -0.12 -1.12 0.01 0.00 -1.03 0.00 0.00 54.13 51.87 1wwx s LEU 78 Cb 0.29 -1.18 0.03 0.00 0.03 0.00 0.00 46.19 45.36 1wwx s LEU 78 CO 0.74 -0.29 -0.15 -1.61 0.23 0.00 0.00 176.35 175.27 1wwx s GLU 79 N -3.70 2.82 -0.23 1.70 0.41 0.21 -4.38 118.70 115.53 1wwx s GLU 79 Ca 0.35 -0.96 -0.35 0.00 -0.41 0.00 0.00 54.97 53.59 1wwx s GLU 79 Cb 0.03 -2.73 -0.12 0.00 -1.78 0.00 0.00 34.13 29.53 1wwx s GLU 79 CO 0.19 -0.32 1.98 -2.13 -0.49 0.00 0.00 175.26 174.49 1wwx n ARG 80 N 4.59 1.57 -4.14 1.61 0.63 -1.26 -4.01 116.66 115.66 1wwx n ARG 80 Ca -0.19 0.53 -0.32 0.00 -0.92 0.00 0.00 57.85 56.96 1wwx n ARG 80 Cb 0.48 -2.51 -0.07 0.00 0.45 0.00 0.00 32.46 30.81 1wwx n ARG 80 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1wwx s VAL 81 N 5.35 4.43 -0.66 5.15 1.01 -1.26 -5.02 120.40 129.41 1wwx s VAL 81 Ca 1.00 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 1wwx s VAL 81 Cb -0.81 -3.06 0.46 0.00 0.00 0.00 0.00 36.38 32.97 1wwx s VAL 81 CO 0.53 0.26 2.02 0.47 0.00 0.00 0.00 175.10 178.38 1wwx n ASP 82 N 0.95 7.55 -4.14 3.32 9.92 -1.26 -4.95 116.55 127.95 1wwx n ASP 82 Ca -0.12 -3.78 -0.27 0.00 -0.53 0.00 0.00 54.79 50.09 1wwx n ASP 82 Cb 0.52 -0.96 -0.08 0.00 -0.64 0.00 0.00 41.12 39.96 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 -3.81 2.00 -0.17 -1.24 0.52 -1.26 -5.14 118.95 109.85 1wwx s ARG 83 Ca 0.64 -2.24 -0.11 0.00 -0.52 0.00 0.00 55.73 53.51 1wwx s ARG 83 Cb 0.51 -0.68 -0.05 0.00 0.52 0.00 0.00 34.95 35.25 1wwx s ARG 83 CO -0.01 -0.50 0.19 0.50 0.02 0.00 0.00 175.30 175.50 1wwx s ARG 84 N -3.70 4.08 -1.71 3.54 3.52 -1.26 -4.40 118.95 119.02 1wwx s ARG 84 Ca 0.20 -0.09 -0.16 0.00 -0.13 0.00 0.00 55.73 55.56 1wwx s ARG 84 Cb 0.02 -3.38 0.14 0.00 -1.56 0.00 0.00 34.95 30.18 1wwx s ARG 84 CO 0.13 0.38 0.58 1.28 -0.81 0.00 0.00 175.30 176.86 1wwx n LEU 85 N 3.21 -1.39 -3.56 -0.88 4.32 -1.26 -4.89 117.00 112.55 1wwx n LEU 85 Ca -0.15 -1.12 -0.27 0.00 -0.02 0.00 0.00 56.01 54.44 1wwx n LEU 85 Cb 0.52 -1.88 -0.16 0.00 -1.62 0.00 0.00 43.42 40.29 1wwx n LEU 85 CO 0.37 0.27 -0.32 -0.69 -1.22 0.00 0.00 177.39 175.80 1wwx s VAL 86 N -3.50 -0.09 0.44 4.08 1.01 -1.26 -0.51 120.40 120.56 1wwx s VAL 86 Ca 0.59 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 62.15 1wwx s VAL 86 Cb -0.33 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 1wwx s VAL 86 CO 0.97 -0.52 0.31 -0.31 0.00 0.00 0.00 175.10 175.55 1wwx s TYR 87 N 2.13 2.44 -0.15 5.22 1.51 -0.21 -4.61 117.35 123.68 1wwx s TYR 87 Ca 0.06 -0.60 -0.07 0.00 -1.01 0.00 0.00 57.07 55.45 1wwx s TYR 87 Cb -0.16 -2.04 0.06 0.00 -0.11 0.00 0.00 41.96 39.71 1wwx s TYR 87 CO -0.25 -0.09 0.34 0.21 -1.11 0.00 0.00 175.55 174.65 1wwx s LYS 88 N -4.08 0.28 0.19 -0.62 2.20 -1.26 -0.68 119.74 115.77 1wwx s LYS 88 Ca 0.43 0.75 -0.30 0.00 -0.36 0.00 0.00 55.97 56.48 1wwx s LYS 88 Cb -0.00 0.00 -0.09 0.00 -1.51 0.00 0.00 37.83 36.23 1wwx s LYS 88 CO 0.25 -0.20 1.38 -0.06 -0.36 0.00 0.00 175.35 176.35 1wwx s PHE 89 N 1.74 3.19 0.00 4.03 0.08 -1.08 0.67 117.98 126.61 1wwx s PHE 89 Ca -0.06 1.07 0.00 0.00 0.12 0.00 0.00 56.93 58.06 1wwx s PHE 89 Cb -0.10 -3.69 0.00 0.00 -0.57 0.00 0.00 43.02 38.66 1wwx s PHE 89 CO -0.11 -2.29 0.00 0.41 -0.10 0.00 0.00 175.22 173.14 1wwx n GLY 90 N 2.70 0.46 0.05 4.36 0.00 0.47 -4.71 105.19 108.52 1wwx n GLY 90 Ca 0.08 -1.45 0.11 0.00 0.00 0.00 0.00 46.02 44.76 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 0.37 0.08 1.61 2.85 -1.25 -4.07 118.16 117.76 1wwx n LYS 91 Ca 0.00 0.01 -0.03 0.00 -1.05 0.00 0.00 58.31 57.24 1wwx n LYS 91 Cb 0.00 -1.63 0.21 0.00 -0.65 0.00 0.00 35.03 32.96 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 0.29 -3.79 -5.58 2.35 -1.82 -3.43 115.58 103.60 1wwx h ASN 92 Ca 0.00 -0.12 -0.50 0.00 -0.55 0.00 0.00 56.30 55.13 1wwx h ASN 92 Cb 0.80 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.09 1wwx h ASN 92 CO 0.00 0.67 0.41 0.00 -1.65 0.00 0.00 177.43 176.86 1wwx s ALA 93 N -4.15 3.35 0.10 -0.83 0.00 -1.26 -4.90 121.76 114.07 1wwx s ALA 93 Ca -0.05 0.75 0.08 0.00 0.00 0.00 0.00 51.96 52.74 1wwx s ALA 93 Cb 0.13 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 1wwx s ALA 93 CO 0.78 0.02 -0.22 -3.38 0.00 0.00 0.00 175.76 172.96 1wwx s HIS 94 N -1.21 1.87 0.00 0.00 -3.43 -1.26 -4.77 115.29 106.48 1wwx s HIS 94 Ca 0.44 -0.41 0.00 0.00 -0.80 0.00 0.00 55.06 54.29 1wwx s HIS 94 Cb -0.28 -1.04 0.00 0.00 -1.43 0.00 0.00 32.58 29.83 1wwx s HIS 94 CO 0.36 0.20 0.00 0.41 -2.00 0.00 0.00 174.74 173.71 1wwx n GLY 95 N 1.19 2.98 0.13 -1.38 0.00 -1.26 -4.89 105.19 101.97 1wwx n GLY 95 Ca -0.19 -1.07 -0.22 0.00 0.00 0.00 0.00 46.02 44.54 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 0.68 -3.24 1.61 5.08 -2.00 -3.47 115.95 114.61 1wwx h TRP 96 Ca 0.00 -0.49 -0.57 0.00 1.08 0.00 0.00 58.89 58.90 1wwx h TRP 96 Cb 0.00 -0.03 0.17 0.00 -3.00 0.00 0.00 29.16 26.31 1wwx h TRP 96 CO 0.00 1.51 -0.22 1.04 -1.28 0.00 0.00 178.44 179.49 1wwx n GLN 97 N -3.87 0.57 -3.43 0.12 6.02 -1.26 -4.97 117.38 110.57 1wwx n GLN 97 Ca -0.20 0.23 -0.32 0.00 -0.01 0.00 0.00 57.00 56.70 1wwx n GLN 97 Cb 0.97 -1.89 -0.05 0.00 1.02 0.00 0.00 30.24 30.28 1wwx n GLN 97 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1wwx s GLU 98 N -2.49 3.82 0.50 -1.09 2.02 -1.26 -4.90 118.70 115.29 1wwx s GLU 98 Ca 0.71 0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.98 1wwx s GLU 98 Cb -0.41 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.11 1wwx s GLU 98 CO 0.52 0.36 0.00 -0.25 0.02 0.00 0.00 175.26 175.91 1wwx n ASP 99 N 0.05 -8.99 -3.94 -0.19 8.00 -1.26 -4.89 116.55 105.32 1wwx n ASP 99 Ca -0.01 1.30 -0.30 0.00 0.71 0.00 0.00 54.79 56.49 1wwx n ASP 99 Cb 0.52 -4.99 -0.13 0.00 -0.02 0.00 0.00 41.12 36.50 1wwx n ASP 99 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1wwx s LYS 100 N -3.32 2.23 -0.17 -1.24 2.20 -1.26 -5.07 119.74 113.11 1wwx s LYS 100 Ca 0.00 -2.92 -0.05 0.00 -0.36 0.00 0.00 55.97 52.64 1wwx s LYS 100 Cb 0.00 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 1wwx s LYS 100 CO 0.00 -1.18 0.01 -0.48 -0.36 0.00 0.00 175.35 173.33 1wwx s LEU 101 N -0.76 3.51 0.93 5.43 0.05 -1.26 -5.11 118.68 121.47 1wwx s LEU 101 Ca 0.20 -0.03 -0.15 0.00 0.05 0.00 0.00 54.13 54.20 1wwx s LEU 101 Cb -0.17 -1.86 0.17 0.00 -2.05 0.00 0.00 46.19 42.28 1wwx s LEU 101 CO -0.07 0.17 1.26 -0.44 -0.55 0.00 0.00 176.35 176.73 1wwx s SER 102 N 0.35 3.36 0.00 1.48 0.01 -1.26 -5.10 113.70 112.54 1wwx s SER 102 Ca -0.01 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.71 1wwx s SER 102 Cb -0.13 -0.66 0.00 0.00 0.21 0.00 0.00 66.02 65.44 1wwx s SER 102 CO 0.02 -2.60 0.00 0.61 0.41 0.00 0.00 173.24 171.68 1wwx n GLY 103 N -3.40 5.90 3.58 3.44 0.00 -1.26 -5.09 105.19 108.37 1wwx n GLY 103 Ca 0.13 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 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 1.18 3.13 0.21 1.61 0.04 -1.26 -4.87 135.00 135.04 1wwx s PRO 104 Ca 0.00 1.07 -0.05 0.00 0.04 0.00 0.00 61.00 62.06 1wwx s PRO 104 Cb 0.00 -4.23 0.35 0.00 0.04 0.00 0.00 34.50 30.66 1wwx s PRO 104 CO 0.00 -2.11 1.14 -1.13 0.04 0.00 0.00 177.00 174.94 1wwx n SER 105 N 10.88 -0.25 -3.03 6.66 3.41 -1.26 -4.85 113.62 125.19 1wwx n SER 105 Ca 0.21 1.25 -0.00 0.00 -0.26 0.00 0.00 58.87 60.07 1wwx n SER 105 Cb 0.49 -0.39 -0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1wwx n SER 105 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wwx n SER 106 N -5.17 -6.58 0.00 4.04 3.41 -1.26 -5.32 113.62 102.74 1wwx n SER 106 Ca 0.12 0.80 0.00 0.00 -0.26 0.00 0.00 58.87 59.53 1wwx n SER 106 Cb 0.38 -2.60 0.00 0.00 -0.26 0.00 0.00 64.21 61.73 1wwx n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49