#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 6.91 -0.24 1.61 0.15 -1.26 -4.89 113.70 115.98 1wwx s SER 2 Ca 0.00 -2.61 -0.14 0.00 0.70 0.00 0.00 55.95 53.91 1wwx s SER 2 Cb 0.00 -2.50 0.07 0.00 -1.71 0.00 0.00 66.02 61.89 1wwx s SER 2 CO 0.00 -1.01 0.59 -0.94 1.20 0.00 0.00 173.24 173.09 1wwx s SER 3 N 3.65 -0.80 0.00 5.45 1.04 -1.26 -5.13 113.70 116.66 1wwx s SER 3 Ca 0.48 1.30 0.00 0.00 0.48 0.00 0.00 55.95 58.21 1wwx s SER 3 Cb 0.01 1.19 0.00 0.00 0.10 0.00 0.00 66.02 67.31 1wwx s SER 3 CO 0.03 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1wwx n GLY 4 N 4.32 1.72 2.29 7.32 0.00 -1.26 -4.98 105.19 114.60 1wwx n GLY 4 Ca -0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 1wwx n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wwx n SER 5 N 0.00 -3.52 0.00 1.61 2.88 -1.26 -4.72 113.62 108.61 1wwx n SER 5 Ca 0.00 -0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.32 1wwx n SER 5 Cb 0.00 -2.33 0.00 0.00 -0.75 0.00 0.00 64.21 61.13 1wwx n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wwx n SER 6 N -0.53 0.00 -2.89 -3.46 7.64 -1.26 -5.03 113.62 108.09 1wwx n SER 6 Ca -0.01 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.75 1wwx n SER 6 Cb 0.53 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.77 1wwx n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wwx n GLY 7 N 0.00 1.84 2.30 0.23 0.00 -1.26 -5.02 105.19 103.28 1wwx n GLY 7 Ca 0.00 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 1wwx n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wwx n SER 8 N 0.21 0.59 -3.28 1.61 2.88 -1.26 -5.01 113.62 109.37 1wwx n SER 8 Ca 0.12 -2.73 -0.21 0.00 -1.33 0.00 0.00 58.87 54.72 1wwx n SER 8 Cb 0.71 -0.63 -0.08 0.00 -0.75 0.00 0.00 64.21 63.46 1wwx n SER 8 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wwx s SER 9 N -1.06 1.01 -0.08 -3.46 0.15 -1.26 -4.91 113.70 104.08 1wwx s SER 9 Ca 0.35 -2.38 -0.18 0.00 0.70 0.00 0.00 55.95 54.44 1wwx s SER 9 Cb 0.13 0.23 0.04 0.00 -1.71 0.00 0.00 66.02 64.70 1wwx s SER 9 CO -0.12 -0.19 0.42 -1.00 1.20 0.00 0.00 173.24 173.56 1wwx s HIS 10 N 0.64 -0.38 -0.08 3.44 3.76 -1.26 -5.08 115.29 116.33 1wwx s HIS 10 Ca 0.27 0.79 -0.17 0.00 -0.15 0.00 0.00 55.06 55.80 1wwx s HIS 10 Cb -0.05 0.17 -0.13 0.00 1.11 0.00 0.00 32.58 33.69 1wwx s HIS 10 CO -0.11 -0.36 0.61 1.25 -0.85 0.00 0.00 174.74 175.28 1wwx h LEU 11 N 4.41 -0.13 -1.30 0.89 5.85 -1.99 -2.96 115.31 120.06 1wwx h LEU 11 Ca -0.28 -0.34 0.46 0.00 0.84 0.00 0.00 57.88 58.56 1wwx h LEU 11 Cb 1.17 0.03 -0.15 0.00 0.37 0.00 0.00 40.66 42.09 1wwx h LEU 11 CO 0.32 0.47 0.81 4.11 -0.34 0.00 0.00 178.44 183.82 1wwx h TRP 12 N -0.95 0.58 -0.03 1.25 5.08 -1.98 1.26 115.95 121.16 1wwx h TRP 12 Ca -0.02 0.03 -0.24 0.00 1.08 0.00 0.00 58.89 59.74 1wwx h TRP 12 Cb 0.47 -0.13 0.02 0.00 -3.00 0.00 0.00 29.16 26.51 1wwx h TRP 12 CO 0.09 -0.32 -0.92 0.93 -1.28 0.00 0.00 178.44 176.94 1wwx h GLU 13 N 0.01 0.67 -0.00 0.12 5.08 -1.98 -1.63 114.58 116.85 1wwx h GLU 13 Ca 0.87 -0.69 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1wwx h GLU 13 Cb 2.69 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 32.13 1wwx h GLU 13 CO -0.53 1.28 0.00 0.35 -1.00 0.00 0.00 179.01 179.11 1wwx h PHE 14 N 0.34 0.01 -0.40 4.33 3.57 0.17 0.18 116.94 125.13 1wwx h PHE 14 Ca -0.11 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.26 1wwx h PHE 14 Cb 1.58 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.31 1wwx h PHE 14 CO 0.11 0.03 -0.28 -0.24 -2.23 0.00 0.00 178.31 175.70 1wwx h VAL 15 N -0.02 1.27 -0.59 1.41 3.04 -1.15 -3.04 116.25 117.18 1wwx h VAL 15 Ca 0.00 -1.43 -0.08 0.00 -1.01 0.00 0.00 66.70 64.19 1wwx h VAL 15 Cb 0.02 1.26 -0.02 0.00 -2.01 0.00 0.00 31.29 30.53 1wwx h VAL 15 CO -0.00 0.48 0.06 -0.09 -1.01 0.00 0.00 177.57 177.01 1wwx h ARG 16 N 0.73 0.98 -0.53 4.17 2.43 -1.09 -2.95 114.38 118.12 1wwx h ARG 16 Ca 0.09 -0.26 0.04 0.00 -0.81 0.00 0.00 59.98 59.03 1wwx h ARG 16 Cb 0.83 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 1wwx h ARG 16 CO 0.07 0.93 0.28 0.22 -1.51 0.00 0.00 179.97 179.95 1wwx h ASP 17 N 0.91 0.41 -0.84 -3.80 3.58 -0.53 -2.16 116.42 113.99 1wwx h ASP 17 Ca 0.18 0.02 0.18 0.00 0.42 0.00 0.00 57.03 57.84 1wwx h ASP 17 Cb 0.45 -0.06 -0.11 0.00 1.72 0.00 0.00 39.33 41.33 1wwx h ASP 17 CO 0.02 0.28 0.35 -0.07 -2.88 0.00 0.00 179.24 176.94 1wwx h LEU 18 N 0.54 0.31 -1.88 2.28 4.07 -1.43 1.02 115.31 120.22 1wwx h LEU 18 Ca 0.23 0.13 0.03 0.00 0.08 0.00 0.00 57.88 58.35 1wwx h LEU 18 Cb 0.12 0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 1wwx h LEU 18 CO -0.15 0.05 0.14 -0.07 -1.08 0.00 0.00 178.44 177.33 1wwx h LEU 19 N 0.43 0.14 -0.58 1.67 3.38 -1.43 -0.80 115.31 118.13 1wwx h LEU 19 Ca 0.50 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1wwx h LEU 19 Cb 0.86 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1wwx h LEU 19 CO -0.47 0.10 -0.68 0.18 0.09 0.00 0.00 178.44 177.65 1wwx n LEU 20 N -4.50 1.58 -3.94 1.67 4.77 0.15 -4.67 117.00 112.06 1wwx n LEU 20 Ca 0.01 -0.63 -0.29 0.00 -0.03 0.00 0.00 56.01 55.06 1wwx n LEU 20 Cb 0.16 -0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.13 1wwx n LEU 20 CO 0.35 0.32 -0.01 -0.44 -1.33 0.00 0.00 177.39 176.27 1wwx s SER 21 N -2.69 4.89 0.00 -1.43 0.01 0.30 -4.90 113.70 109.88 1wwx s SER 21 Ca 0.14 -3.68 0.15 0.00 1.31 0.00 0.00 55.95 53.87 1wwx s SER 21 Cb 0.17 -1.68 0.72 0.00 0.21 0.00 0.00 66.02 65.44 1wwx s SER 21 CO 0.69 -0.13 1.42 -0.81 0.41 0.00 0.00 173.24 174.83 1wwx n PRO 22 N 2.23 0.16 0.05 12.44 -0.04 -1.25 -1.38 135.00 147.22 1wwx n PRO 22 Ca 0.17 0.17 -0.05 0.00 -0.04 0.00 0.00 63.50 63.75 1wwx n PRO 22 Cb 0.35 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.21 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 -3.39 114.58 114.91 1wwx h GLU 23 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 1wwx h GLU 23 Cb 0.16 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 1wwx h GLU 23 CO 0.00 0.69 -2.33 0.39 -1.00 0.00 0.00 179.01 176.76 1wwx n GLU 24 N -3.19 0.55 -2.00 2.33 -0.58 -1.00 -4.94 120.64 111.81 1wwx n GLU 24 Ca -0.05 0.17 -0.42 0.00 -0.42 0.00 0.00 57.16 56.44 1wwx n GLU 24 Cb 0.92 -1.43 -0.03 0.00 -0.57 0.00 0.00 31.44 30.33 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 -6.61 6.66 -0.64 1.62 2.47 -0.48 -4.96 114.94 113.00 1wwx s ASN 25 Ca -0.32 2.34 -0.00 0.00 0.42 0.00 0.00 52.86 55.29 1wwx s ASN 25 Cb 0.10 -2.55 0.16 0.00 -1.45 0.00 0.00 41.25 37.51 1wwx s ASN 25 CO 0.49 -0.88 0.44 0.00 -3.72 0.00 0.00 177.10 173.43 1wwx n GLY 27 N 3.12 -0.48 0.12 0.00 0.00 -1.26 -4.80 105.19 101.88 1wwx n GLY 27 Ca 0.10 0.05 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 1wwx n GLY 27 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wwx n ILE 28 N -3.52 1.73 -4.39 -0.61 5.41 -1.26 -4.11 119.36 112.60 1wwx n ILE 28 Ca -0.01 -0.71 -0.19 0.00 1.00 0.00 0.00 62.75 62.83 1wwx n ILE 28 Cb 0.53 -1.49 -0.10 0.00 -0.71 0.00 0.00 39.64 37.87 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 -6.70 1.97 -0.02 1.39 1.43 -1.26 -0.56 118.68 114.93 1wwx s LEU 29 Ca -0.16 -1.37 -0.08 0.00 -1.03 0.00 0.00 54.13 51.49 1wwx s LEU 29 Cb 0.07 -0.22 0.01 0.00 0.03 0.00 0.00 46.19 46.08 1wwx s LEU 29 CO 0.79 -0.65 0.17 -1.61 0.23 0.00 0.00 176.35 175.28 1wwx s GLU 30 N -3.95 0.45 -0.60 1.70 2.02 -0.22 -4.78 118.70 113.33 1wwx s GLU 30 Ca 0.37 -0.23 -0.21 0.00 0.02 0.00 0.00 54.97 54.92 1wwx s GLU 30 Cb 0.08 0.19 0.07 0.00 0.10 0.00 0.00 34.13 34.58 1wwx s GLU 30 CO 0.15 -0.10 0.84 -1.58 0.02 0.00 0.00 175.26 174.58 1wwx s TRP 31 N -1.05 2.84 0.13 1.61 0.23 -1.26 -1.05 118.94 120.38 1wwx s TRP 31 Ca -0.11 -0.55 0.03 0.00 -2.03 0.00 0.00 56.10 53.44 1wwx s TRP 31 Cb -0.06 -4.05 -0.15 0.00 0.03 0.00 0.00 33.47 29.24 1wwx s TRP 31 CO 0.02 -1.40 1.28 0.93 0.96 0.00 0.00 176.95 178.74 1wwx h GLU 32 N 9.33 0.11 -0.66 4.98 4.39 -1.26 -3.44 114.58 128.04 1wwx h GLU 32 Ca -0.28 -0.16 0.03 0.00 0.34 0.00 0.00 59.36 59.28 1wwx h GLU 32 Cb 1.08 0.06 -0.18 0.00 -0.10 0.00 0.00 28.75 29.60 1wwx h GLU 32 CO 1.11 1.02 -0.30 -0.51 -1.16 0.00 0.00 179.01 179.18 1wwx s ASP 33 N -6.88 -1.02 0.43 1.42 1.01 -0.66 -4.95 116.67 106.02 1wwx s ASP 33 Ca -0.01 -0.47 0.19 0.00 0.71 0.00 0.00 52.55 52.97 1wwx s ASP 33 Cb 0.09 1.32 1.13 0.00 1.01 0.00 0.00 42.92 46.48 1wwx s ASP 33 CO 0.83 -0.12 1.84 -0.09 0.21 0.00 0.00 175.17 177.85 1wwx h ARG 34 N 6.41 0.35 -0.15 8.23 9.65 -1.85 1.04 114.38 138.06 1wwx h ARG 34 Ca 0.01 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.83 1wwx h ARG 34 Cb 1.20 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.70 1wwx h ARG 34 CO 0.03 0.23 -0.05 1.05 2.80 0.00 0.00 179.97 184.02 1wwx h GLU 35 N 0.36 0.31 -0.00 0.20 4.11 -1.95 -2.93 114.58 114.67 1wwx h GLU 35 Ca 0.49 -0.13 0.00 0.00 0.07 0.00 0.00 59.36 59.79 1wwx h GLU 35 Cb 1.30 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1wwx h GLU 35 CO -0.18 0.60 -0.10 1.04 0.07 0.00 0.00 179.01 180.45 1wwx n GLN 36 N -4.67 0.82 -1.84 1.06 6.02 -0.17 -4.91 117.38 113.69 1wwx n GLN 36 Ca -0.06 -0.30 -0.17 0.00 -0.01 0.00 0.00 57.00 56.47 1wwx n GLN 36 Cb 0.28 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 30.00 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 1.25 0.87 3.68 1.08 0.00 0.34 -4.72 105.19 107.69 1wwx n GLY 37 Ca 0.16 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.73 5.04 0.19 -0.61 1.01 -0.83 -2.93 121.20 120.34 1wwx s ILE 38 Ca 0.00 1.21 0.06 0.00 0.00 0.00 0.00 60.65 61.92 1wwx s ILE 38 Cb 0.00 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 1wwx s ILE 38 CO 0.00 0.16 -0.12 0.72 0.00 0.00 0.00 174.94 175.70 1wwx s PHE 39 N 1.57 1.56 0.17 3.97 -0.71 -0.11 -0.71 117.98 123.72 1wwx s PHE 39 Ca 0.30 -0.65 0.10 0.00 -1.04 0.00 0.00 56.93 55.64 1wwx s PHE 39 Cb -0.16 -0.75 -0.04 0.00 -1.21 0.00 0.00 43.02 40.86 1wwx s PHE 39 CO 0.12 0.25 -0.22 0.50 -1.34 0.00 0.00 175.22 174.53 1wwx s ARG 40 N -3.69 1.39 -0.90 1.99 3.52 -0.21 -1.14 118.95 119.92 1wwx s ARG 40 Ca 0.21 -1.44 -0.10 0.00 -0.13 0.00 0.00 55.73 54.27 1wwx s ARG 40 Cb 0.01 -1.64 0.23 0.00 -1.56 0.00 0.00 34.95 31.99 1wwx s ARG 40 CO 0.05 0.35 0.83 0.08 -0.81 0.00 0.00 175.30 175.80 1wwx s VAL 41 N -1.70 5.35 0.31 7.11 1.01 0.35 -1.06 120.40 131.77 1wwx s VAL 41 Ca 0.17 -2.99 0.04 0.00 0.00 0.00 0.00 61.98 59.20 1wwx s VAL 41 Cb -0.08 -4.29 0.30 0.00 0.00 0.00 0.00 36.38 32.31 1wwx s VAL 41 CO 0.08 -1.06 1.86 0.58 0.00 0.00 0.00 175.10 176.56 1wwx h VAL 42 N 4.42 0.92 -3.65 2.92 2.07 -1.09 -3.37 116.25 118.48 1wwx h VAL 42 Ca 0.12 -0.31 -0.67 0.00 0.82 0.00 0.00 66.70 66.66 1wwx h VAL 42 Cb 0.95 -0.06 -0.35 0.00 -1.52 0.00 0.00 31.29 30.31 1wwx h VAL 42 CO 0.84 0.16 -0.79 -0.54 0.02 0.00 0.00 177.57 177.26 1wwx s LYS 43 N -5.85 2.50 0.23 1.57 1.02 -0.77 -4.96 119.74 113.48 1wwx s LYS 43 Ca -0.11 -1.18 0.22 0.00 0.02 0.00 0.00 55.97 54.92 1wwx s LYS 43 Cb 0.22 -2.89 0.04 0.00 -0.52 0.00 0.00 37.83 34.68 1wwx s LYS 43 CO 0.80 -0.48 1.12 0.66 -0.92 0.00 0.00 175.35 176.52 1wwx h SER 44 N 7.88 0.00 0.52 2.83 4.64 -1.88 -3.00 113.55 124.53 1wwx h SER 44 Ca -0.26 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.78 1wwx h SER 44 Cb 1.07 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.12 1wwx h SER 44 CO 0.52 0.01 -1.67 -1.84 -0.87 0.00 0.00 176.83 172.98 1wwx n GLU 45 N -2.74 0.63 0.06 4.77 0.28 -1.26 -3.87 120.64 118.51 1wwx n GLU 45 Ca 0.00 0.28 -0.11 0.00 -0.16 0.00 0.00 57.16 57.17 1wwx n GLU 45 Cb 0.55 -1.79 -0.13 0.00 1.43 0.00 0.00 31.44 31.50 1wwx n GLU 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wwx h ALA 46 N 1.07 0.33 0.04 -1.84 0.00 -1.98 -3.07 119.26 113.80 1wwx h ALA 46 Ca -0.27 -1.02 -0.00 0.00 0.00 0.00 0.00 54.91 53.62 1wwx h ALA 46 Cb 1.95 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1wwx h ALA 46 CO 0.07 1.20 -0.02 1.25 0.00 0.00 0.00 179.25 181.75 1wwx h LEU 47 N 0.03 -0.05 -0.24 0.00 5.85 -1.68 -1.30 115.31 117.92 1wwx h LEU 47 Ca -0.12 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 1wwx h LEU 47 Cb 1.90 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.93 1wwx h LEU 47 CO 0.15 0.02 0.07 0.00 -0.34 0.00 0.00 178.44 178.34 1wwx h ALA 48 N 0.84 0.32 -0.37 1.25 0.00 -1.69 -1.98 119.26 117.62 1wwx h ALA 48 Ca -0.01 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.83 1wwx h ALA 48 Cb 0.10 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1wwx h ALA 48 CO 0.01 -0.05 -0.06 0.87 0.00 0.00 0.00 179.25 180.02 1wwx h LYS 49 N 0.22 0.03 -0.44 0.00 1.57 -1.44 0.74 116.57 117.24 1wwx h LYS 49 Ca 0.08 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1wwx h LYS 49 Cb 0.25 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1wwx h LYS 49 CO -0.00 0.02 0.28 0.52 -0.57 0.00 0.00 179.45 179.69 1wwx h MET 50 N 0.03 0.59 0.35 3.15 2.86 -1.15 -2.99 114.93 117.77 1wwx h MET 50 Ca 0.18 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1wwx h MET 50 Cb 0.26 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1wwx h MET 50 CO -0.35 0.42 -0.25 2.35 1.06 0.00 0.00 176.91 180.14 1wwx h TRP 51 N 0.59 -0.66 -0.96 -0.22 -0.00 -0.58 -2.62 115.95 111.50 1wwx h TRP 51 Ca 0.16 -0.00 0.30 0.00 -0.00 0.00 0.00 58.89 59.35 1wwx h TRP 51 Cb -0.03 0.24 -0.16 0.00 -0.00 0.00 0.00 29.16 29.22 1wwx h TRP 51 CO -0.04 -0.38 0.39 0.78 -0.00 0.00 0.00 178.44 179.19 1wwx h GLY 52 N -0.59 1.77 0.35 2.65 0.00 -0.77 0.50 103.07 106.98 1wwx h GLY 52 Ca -0.03 -0.11 0.13 0.00 0.00 0.00 0.00 47.33 47.32 1wwx h GLY 52 CO 0.01 -0.51 0.51 1.46 0.00 0.00 0.00 176.54 178.01 1wwx h GLN 53 N 0.19 0.74 -0.22 4.80 4.20 -1.32 0.93 115.11 124.44 1wwx h GLN 53 Ca 0.68 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 59.24 1wwx h GLN 53 Cb 1.54 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 29.14 1wwx h GLN 53 CO -0.69 0.49 -0.33 0.00 -0.67 0.00 0.00 178.83 177.63 1wwx h ARG 54 N 0.77 0.45 -0.56 1.46 2.47 -0.02 -2.74 114.38 116.21 1wwx h ARG 54 Ca 0.47 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 1wwx h ARG 54 Cb 0.57 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 1wwx h ARG 54 CO -0.31 0.73 0.00 1.63 0.56 0.00 0.00 179.97 182.58 1wwx n LYS 55 N -4.07 4.31 -2.76 0.04 4.76 -0.04 -4.92 118.16 115.47 1wwx n LYS 55 Ca -0.01 -3.03 -0.12 0.00 -2.87 0.00 0.00 58.31 52.28 1wwx n LYS 55 Cb 0.45 -2.10 -0.02 0.00 -1.84 0.00 0.00 35.03 31.53 1wwx n LYS 55 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1wwx n LYS 56 N 0.63 -2.02 -3.19 1.97 2.85 0.30 -4.80 118.16 113.90 1wwx n LYS 56 Ca 0.26 0.04 -0.46 0.00 -1.05 0.00 0.00 58.31 57.10 1wwx n LYS 56 Cb 1.06 -3.76 -0.03 0.00 -0.65 0.00 0.00 35.03 31.66 1wwx n LYS 56 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1wwx s ASN 57 N -2.04 6.55 0.05 -5.58 3.84 -0.36 -4.87 114.94 112.52 1wwx s ASN 57 Ca 0.23 -2.17 0.03 0.00 0.21 0.00 0.00 52.86 51.16 1wwx s ASN 57 Cb -0.13 -2.27 0.18 0.00 -0.55 0.00 0.00 41.25 38.47 1wwx s ASN 57 CO 0.28 -0.83 1.09 -0.67 -2.79 0.00 0.00 177.10 174.17 1wwx n ASP 58 N 5.22 0.08 -1.39 -4.21 2.03 -1.26 -0.33 116.55 116.69 1wwx n ASP 58 Ca 0.08 0.53 0.05 0.00 0.52 0.00 0.00 54.79 55.97 1wwx n ASP 58 Cb 0.46 -0.54 0.31 0.00 -0.72 0.00 0.00 41.12 40.62 1wwx n ASP 58 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wwx n ARG 59 N -1.61 3.56 -2.40 -0.67 5.12 -1.26 -5.00 116.66 114.40 1wwx n ARG 59 Ca -0.00 -3.01 -0.41 0.00 -1.93 0.00 0.00 57.85 52.50 1wwx n ARG 59 Cb 0.01 -2.03 -0.04 0.00 -1.16 0.00 0.00 32.46 29.25 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 -2.88 4.53 -0.10 5.56 1.75 0.55 -4.96 119.30 123.75 1wwx s MET 60 Ca 0.48 1.85 -0.19 0.00 -1.25 0.00 0.00 55.69 56.59 1wwx s MET 60 Cb 0.39 -3.23 0.04 0.00 2.84 0.00 0.00 34.83 34.87 1wwx s MET 60 CO 0.11 -0.02 0.46 0.95 -0.65 0.00 0.00 175.02 175.87 1wwx s THR 61 N -0.29 0.02 0.56 10.11 -4.23 -1.26 -4.71 115.64 115.84 1wwx s THR 61 Ca 0.51 -0.15 0.47 0.00 -1.18 0.00 0.00 61.69 61.33 1wwx s THR 61 Cb -0.32 -0.71 0.69 0.00 1.34 0.00 0.00 72.50 73.50 1wwx s THR 61 CO 0.38 -0.08 1.61 0.22 -0.54 0.00 0.00 174.62 176.20 1wwx h TYR 62 N 4.47 0.00 -0.36 3.99 3.20 -1.90 1.37 116.97 127.74 1wwx h TYR 62 Ca -0.28 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.48 1wwx h TYR 62 Cb 1.17 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 1wwx h TYR 62 CO 0.44 0.00 -0.21 0.93 -1.64 0.00 0.00 178.16 177.68 1wwx h GLU 63 N 0.00 0.78 0.00 1.82 5.08 -1.95 -1.12 114.58 119.20 1wwx h GLU 63 Ca 0.84 -0.36 -0.22 0.00 -1.00 0.00 0.00 59.36 58.62 1wwx h GLU 63 Cb 3.41 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 32.61 1wwx h GLU 63 CO -0.01 0.98 -1.13 0.87 -1.00 0.00 0.00 179.01 178.72 1wwx h LYS 64 N 0.57 0.00 -0.30 2.33 1.57 0.12 -3.30 116.57 117.56 1wwx h LYS 64 Ca 0.08 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.74 1wwx h LYS 64 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1wwx h LYS 64 CO 0.06 0.85 -0.26 1.25 -0.57 0.00 0.00 179.45 180.77 1wwx h LEU 65 N 0.00 0.76 -2.53 2.94 6.46 -0.47 -2.85 115.31 119.61 1wwx h LEU 65 Ca -0.07 -0.46 -0.00 0.00 -0.12 0.00 0.00 57.88 57.23 1wwx h LEU 65 Cb 1.79 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 41.51 1wwx h LEU 65 CO 0.11 1.06 -0.02 0.28 -0.62 0.00 0.00 178.44 179.25 1wwx h SER 66 N 0.47 0.00 -0.97 1.25 0.02 -1.31 -2.34 113.55 110.68 1wwx h SER 66 Ca 0.05 0.00 0.25 0.00 -0.84 0.00 0.00 61.79 61.25 1wwx h SER 66 Cb 0.83 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.30 1wwx h SER 66 CO 0.07 0.02 0.66 0.08 -1.14 0.00 0.00 176.83 176.51 1wwx h ARG 67 N 0.00 0.25 0.00 3.45 0.11 -1.58 0.35 114.38 116.95 1wwx h ARG 67 Ca -0.00 -0.01 -0.18 0.00 0.10 0.00 0.00 59.98 59.89 1wwx h ARG 67 Cb 0.09 -0.06 -0.03 0.00 1.11 0.00 0.00 29.97 31.08 1wwx h ARG 67 CO 0.00 0.16 -1.19 0.00 0.10 0.00 0.00 179.97 179.05 1wwx h ALA 68 N 1.58 0.64 -0.39 0.08 0.00 -1.60 -3.05 119.26 116.51 1wwx h ALA 68 Ca 0.50 -0.85 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1wwx h ALA 68 Cb 1.52 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1wwx h ALA 68 CO -0.15 0.99 -0.03 -0.07 0.00 0.00 0.00 179.25 179.99 1wwx h LEU 69 N 0.00 0.60 0.00 0.00 3.38 -0.42 -1.95 115.31 116.93 1wwx h LEU 69 Ca -0.13 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.55 1wwx h LEU 69 Cb 1.62 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 42.19 1wwx h LEU 69 CO 0.07 0.70 -1.10 0.03 0.09 0.00 0.00 178.44 178.22 1wwx h ARG 70 N 0.60 0.00 0.00 1.13 2.47 -1.45 -3.29 114.38 113.84 1wwx h ARG 70 Ca 0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 1wwx h ARG 70 Cb 0.42 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 1wwx h ARG 70 CO 0.02 0.41 0.00 -0.92 0.56 0.00 0.00 179.97 180.04 1wwx h TYR 71 N 0.00 0.00 0.00 3.04 3.20 -1.37 -2.93 116.97 118.91 1wwx h TYR 71 Ca -0.10 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1wwx h TYR 71 Cb 1.54 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.81 1wwx h TYR 71 CO 0.00 0.00 0.00 1.88 -1.64 0.00 0.00 178.16 178.40 1wwx h TYR 72 N 0.00 0.00 0.00 -3.82 0.05 -1.42 -3.09 116.97 108.69 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 0.61 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.35 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 -2.90 0.71 0.05 4.88 4.01 -1.11 -0.62 117.16 122.18 1wwx n TYR 73 Ca 0.04 0.29 -0.23 0.00 -0.16 0.00 0.00 57.90 57.84 1wwx n TYR 73 Cb 0.47 -0.96 -0.15 0.00 -0.31 0.00 0.00 39.34 38.39 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 0.35 0.00 -0.72 1.57 -1.74 -3.35 116.57 112.69 1wwx h LYS 74 Ca 0.00 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 1wwx h LYS 74 Cb 0.32 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1wwx h LYS 74 CO 0.00 1.29 -0.50 0.25 -0.57 0.00 0.00 179.45 179.92 1wwx n THR 75 N -3.58 0.41 0.00 -0.16 -2.24 -1.07 -4.94 114.28 102.70 1wwx n THR 75 Ca -0.27 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1wwx n THR 75 Cb 1.06 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 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 1.33 1.38 0.31 3.38 0.00 0.21 -4.79 105.19 107.00 1wwx n GLY 76 Ca 0.04 0.00 0.11 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 0.24 -1.27 -0.61 1.08 -1.72 -3.24 117.51 111.99 1wwx h ILE 77 Ca 0.00 -0.04 -0.58 0.00 -0.39 0.00 0.00 64.86 63.85 1wwx h ILE 77 Cb 0.00 0.12 -0.08 0.00 -3.07 0.00 0.00 36.82 33.78 1wwx h ILE 77 CO 0.00 0.02 -0.47 -0.76 -0.69 0.00 0.00 178.15 176.26 1wwx s LEU 78 N -10.80 2.95 -0.11 1.44 1.43 -1.14 -0.38 118.68 112.07 1wwx s LEU 78 Ca -0.13 -1.18 0.02 0.00 -1.03 0.00 0.00 54.13 51.81 1wwx s LEU 78 Cb 0.25 -1.31 0.02 0.00 0.03 0.00 0.00 46.19 45.18 1wwx s LEU 78 CO 0.77 -0.68 -0.15 -1.61 0.23 0.00 0.00 176.35 174.92 1wwx s GLU 79 N -3.97 2.14 0.04 1.70 0.41 0.35 -4.13 118.70 115.24 1wwx s GLU 79 Ca 0.36 -0.53 -0.32 0.00 -0.41 0.00 0.00 54.97 54.07 1wwx s GLU 79 Cb 0.03 -1.83 -0.11 0.00 -1.78 0.00 0.00 34.13 30.43 1wwx s GLU 79 CO 0.20 -0.07 1.87 -2.13 -0.49 0.00 0.00 175.26 174.64 1wwx n ARG 80 N 4.23 2.59 -4.54 1.61 3.00 -1.26 -3.95 116.66 118.33 1wwx n ARG 80 Ca -0.19 0.95 -0.31 0.00 -0.00 0.00 0.00 57.85 58.30 1wwx n ARG 80 Cb 0.51 -2.84 -0.12 0.00 0.00 0.00 0.00 32.46 30.02 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 3.51 3.01 -0.29 5.15 1.01 -1.26 -5.01 120.40 126.51 1wwx s VAL 81 Ca 0.87 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1wwx s VAL 81 Cb -0.54 -2.30 0.38 0.00 0.00 0.00 0.00 36.38 33.92 1wwx s VAL 81 CO 0.43 0.30 1.47 0.47 0.00 0.00 0.00 175.10 177.77 1wwx n ASP 82 N 1.39 3.44 -3.94 3.32 8.00 -1.26 -4.84 116.55 122.66 1wwx n ASP 82 Ca -0.16 -2.84 -0.17 0.00 0.71 0.00 0.00 54.79 52.33 1wwx n ASP 82 Cb 0.52 -0.68 -0.15 0.00 -0.02 0.00 0.00 41.12 40.80 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 -1.84 0.56 0.84 -1.24 0.52 -1.26 -5.14 118.95 111.39 1wwx s ARG 83 Ca 0.31 -0.17 -0.11 0.00 -0.52 0.00 0.00 55.73 55.25 1wwx s ARG 83 Cb 0.26 -0.56 0.10 0.00 0.52 0.00 0.00 34.95 35.26 1wwx s ARG 83 CO 0.06 0.06 1.10 -0.98 0.02 0.00 0.00 175.30 175.56 1wwx s ARG 84 N 0.20 1.72 -0.07 3.54 1.70 -1.26 -3.04 118.95 121.73 1wwx s ARG 84 Ca -0.02 1.14 -0.01 0.00 -0.47 0.00 0.00 55.73 56.37 1wwx s ARG 84 Cb -0.06 -1.84 0.01 0.00 -0.57 0.00 0.00 34.95 32.49 1wwx s ARG 84 CO -0.00 -2.01 0.02 1.28 -1.08 0.00 0.00 175.30 173.51 1wwx n LEU 85 N -3.77 -0.03 -3.64 -1.89 4.32 -1.26 -4.82 117.00 105.90 1wwx n LEU 85 Ca 0.09 0.36 -0.27 0.00 -0.02 0.00 0.00 56.01 56.16 1wwx n LEU 85 Cb 0.53 -0.87 -0.16 0.00 -1.62 0.00 0.00 43.42 41.30 1wwx n LEU 85 CO 0.53 0.00 -0.34 -0.69 -1.22 0.00 0.00 177.39 175.68 1wwx s VAL 86 N -1.76 0.17 0.39 4.08 1.01 -1.17 -0.50 120.40 122.63 1wwx s VAL 86 Ca 0.03 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.59 1wwx s VAL 86 Cb -0.02 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 1wwx s VAL 86 CO 0.04 -0.39 0.12 -0.31 0.00 0.00 0.00 175.10 174.57 1wwx s TYR 87 N 2.01 2.60 -0.15 5.22 1.51 -0.29 -4.59 117.35 123.65 1wwx s TYR 87 Ca 0.03 -0.54 -0.07 0.00 -1.01 0.00 0.00 57.07 55.48 1wwx s TYR 87 Cb -0.16 -1.80 0.06 0.00 -0.11 0.00 0.00 41.96 39.94 1wwx s TYR 87 CO -0.16 0.29 0.35 0.21 -1.11 0.00 0.00 175.55 175.13 1wwx s LYS 88 N -3.84 0.30 0.23 -0.62 2.20 -1.25 -0.94 119.74 115.83 1wwx s LYS 88 Ca 0.39 0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 56.44 1wwx s LYS 88 Cb 0.03 -0.01 -0.09 0.00 -1.51 0.00 0.00 37.83 36.25 1wwx s LYS 88 CO 0.21 -0.19 1.37 -0.06 -0.36 0.00 0.00 175.35 176.32 1wwx s PHE 89 N 1.63 3.14 0.00 4.03 0.08 -1.15 0.13 117.98 125.85 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 -0.10 -3.70 0.00 0.00 -0.57 0.00 0.00 43.02 38.65 1wwx s PHE 89 CO -0.11 -2.22 0.00 0.41 -0.10 0.00 0.00 175.22 173.20 1wwx n GLY 90 N 2.18 0.96 0.09 4.36 0.00 0.48 -4.65 105.19 108.62 1wwx n GLY 90 Ca 0.06 -1.47 0.03 0.00 0.00 0.00 0.00 46.02 44.63 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 0.14 1.61 0.00 -1.22 -4.03 118.16 115.28 1wwx n LYS 91 Ca 0.00 0.15 0.03 0.00 -0.00 0.00 0.00 58.31 58.49 1wwx n LYS 91 Cb 0.00 -1.77 0.40 0.00 -0.00 0.00 0.00 35.03 33.66 1wwx n LYS 91 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1wwx h ASN 92 N 0.00 0.17 -4.18 -5.58 -0.26 -1.81 -3.43 115.58 100.49 1wwx h ASN 92 Ca -0.14 -0.04 -0.49 0.00 -0.56 0.00 0.00 56.30 55.07 1wwx h ASN 92 Cb 1.46 -0.05 0.06 0.00 -1.06 0.00 0.00 38.32 38.73 1wwx h ASN 92 CO 0.03 0.36 0.38 0.00 -1.06 0.00 0.00 177.43 177.14 1wwx s ALA 93 N -4.64 2.76 0.15 -0.83 0.00 -1.26 -4.89 121.76 113.06 1wwx s ALA 93 Ca -0.05 0.43 -0.01 0.00 0.00 0.00 0.00 51.96 52.33 1wwx s ALA 93 Cb 0.15 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1wwx s ALA 93 CO 0.73 -0.73 0.07 -3.38 0.00 0.00 0.00 175.76 172.45 1wwx s HIS 94 N -2.37 0.95 0.00 0.00 -3.43 -1.26 -4.84 115.29 104.34 1wwx s HIS 94 Ca 0.64 -1.27 0.00 0.00 -0.80 0.00 0.00 55.06 53.64 1wwx s HIS 94 Cb -0.16 -0.51 0.00 0.00 -1.43 0.00 0.00 32.58 30.48 1wwx s HIS 94 CO 0.34 -0.54 0.00 0.41 -2.00 0.00 0.00 174.74 172.95 1wwx n GLY 95 N -0.15 2.75 0.12 -1.38 0.00 -1.26 -4.75 105.19 100.53 1wwx n GLY 95 Ca -0.04 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.14 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 0.48 -3.41 1.61 5.08 -1.98 -3.47 115.95 114.26 1wwx h TRP 96 Ca 0.00 -0.35 -0.53 0.00 1.08 0.00 0.00 58.89 59.10 1wwx h TRP 96 Cb 0.00 -0.02 0.22 0.00 -3.00 0.00 0.00 29.16 26.36 1wwx h TRP 96 CO 0.00 1.45 -0.55 1.04 -1.28 0.00 0.00 178.44 179.10 1wwx n GLN 97 N -3.45 -0.37 -3.74 0.12 6.02 -1.26 -4.99 117.38 109.70 1wwx n GLN 97 Ca -0.19 -0.07 -0.27 0.00 -0.01 0.00 0.00 57.00 56.46 1wwx n GLN 97 Cb 1.05 -1.88 -0.03 0.00 1.02 0.00 0.00 30.24 30.40 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 -3.69 3.51 0.37 -1.09 2.56 -1.26 -5.12 118.70 113.97 1wwx s GLU 98 Ca 0.57 -0.38 0.06 0.00 0.00 0.00 0.00 54.97 55.22 1wwx s GLU 98 Cb -0.21 -2.87 -0.07 0.00 2.00 0.00 0.00 34.13 32.98 1wwx s GLU 98 CO 0.67 0.43 0.01 -0.51 -0.56 0.00 0.00 175.26 175.30 1wwx s ASP 99 N -3.14 3.32 0.33 -1.70 1.01 -1.26 -5.15 116.67 110.08 1wwx s ASP 99 Ca 0.38 -1.35 0.01 0.00 0.71 0.00 0.00 52.55 52.30 1wwx s ASP 99 Cb -0.11 -0.28 -0.03 0.00 1.01 0.00 0.00 42.92 43.50 1wwx s ASP 99 CO 0.29 -0.47 0.52 -0.54 0.21 0.00 0.00 175.17 175.18 1wwx s LYS 100 N -3.76 3.48 -0.12 8.23 3.01 -1.26 -5.10 119.74 124.22 1wwx s LYS 100 Ca 0.35 -0.38 0.03 0.00 -1.01 0.00 0.00 55.97 54.95 1wwx s LYS 100 Cb 0.09 -2.69 0.00 0.00 -1.01 0.00 0.00 37.83 34.22 1wwx s LYS 100 CO 0.17 0.19 -0.22 -0.48 0.51 0.00 0.00 175.35 175.51 1wwx s LEU 101 N -4.26 2.18 0.24 3.17 0.05 -1.26 -4.90 118.68 113.90 1wwx s LEU 101 Ca 0.39 -0.54 0.00 0.00 0.05 0.00 0.00 54.13 54.03 1wwx s LEU 101 Cb -0.10 -1.45 0.00 0.00 -2.05 0.00 0.00 46.19 42.60 1wwx s LEU 101 CO 0.35 0.14 0.00 -0.24 -0.55 0.00 0.00 176.35 176.05 1wwx n SER 102 N 3.67 -2.14 -4.85 1.48 2.88 -1.26 -5.14 113.62 108.26 1wwx n SER 102 Ca -0.19 0.70 -0.34 0.00 -1.33 0.00 0.00 58.87 57.71 1wwx n SER 102 Cb 0.53 2.22 -0.06 0.00 -0.75 0.00 0.00 64.21 66.15 1wwx n SER 102 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wwx s GLY 103 N -2.00 2.40 -0.22 0.46 0.00 -1.26 -5.03 107.32 101.67 1wwx s GLY 103 Ca 0.00 -0.19 -0.29 0.00 0.00 0.00 0.00 44.72 44.24 1wwx s GLY 103 CO 0.00 0.04 1.61 2.56 0.00 0.00 0.00 173.10 177.31 1wwx s PRO 104 N -2.21 3.80 0.13 2.90 0.04 -1.26 -4.99 135.00 133.41 1wwx s PRO 104 Ca 0.40 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1wwx s PRO 104 Cb -0.14 -4.03 -0.04 0.00 0.04 0.00 0.00 34.50 30.33 1wwx s PRO 104 CO 0.20 -1.29 0.01 -1.12 0.04 0.00 0.00 177.00 174.84 1wwx s SER 105 N 4.19 0.76 0.77 6.66 0.01 -1.26 -5.16 113.70 119.67 1wwx s SER 105 Ca 0.71 -1.14 -0.12 0.00 1.31 0.00 0.00 55.95 56.71 1wwx s SER 105 Cb -0.25 0.20 0.06 0.00 0.21 0.00 0.00 66.02 66.24 1wwx s SER 105 CO 0.29 -0.62 1.15 -0.44 0.41 0.00 0.00 173.24 174.03 1wwx s SER 106 N -3.08 4.82 0.00 2.44 0.01 -1.26 -5.21 113.70 111.42 1wwx s SER 106 Ca 0.20 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.37 1wwx s SER 106 Cb 0.07 -1.51 0.00 0.00 0.21 0.00 0.00 66.02 64.79 1wwx s SER 106 CO 0.00 -1.72 0.00 0.61 0.41 0.00 0.00 173.24 172.54