#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 6.02 0.24 1.61 0.15 -1.26 -4.40 113.70 116.06 1wwx s SER 2 Ca 0.00 1.48 0.00 0.00 0.70 0.00 0.00 55.95 58.13 1wwx s SER 2 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1wwx s SER 2 CO 0.00 -1.57 0.00 -1.20 1.20 0.00 0.00 173.24 171.67 1wwx n SER 3 N 9.76 -2.15 0.00 5.45 7.64 -1.26 -5.10 113.62 127.96 1wwx n SER 3 Ca 0.22 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.68 1wwx n SER 3 Cb 0.46 2.19 0.00 0.00 -1.01 0.00 0.00 64.21 65.85 1wwx n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wwx n GLY 4 N -1.33 0.76 3.55 0.23 0.00 -1.26 -4.63 105.19 102.51 1wwx n GLY 4 Ca 0.00 0.73 -0.48 0.00 0.00 0.00 0.00 46.02 46.28 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 5.21 0.92 -3.65 1.61 2.88 -1.26 -4.97 113.62 114.36 1wwx n SER 5 Ca 0.00 1.15 0.01 0.00 -1.33 0.00 0.00 58.87 58.70 1wwx n SER 5 Cb 0.00 -1.19 -0.06 0.00 -0.75 0.00 0.00 64.21 62.21 1wwx n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wwx s SER 6 N -0.31 -0.08 0.00 -3.46 0.01 -1.26 -5.12 113.70 103.47 1wwx s SER 6 Ca 0.68 0.14 0.00 0.00 1.31 0.00 0.00 55.95 58.08 1wwx s SER 6 Cb -0.83 0.84 0.00 0.00 0.21 0.00 0.00 66.02 66.24 1wwx s SER 6 CO 0.55 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.79 1wwx n GLY 7 N 2.80 -0.22 3.62 3.44 0.00 -1.26 -5.08 105.19 108.48 1wwx n GLY 7 Ca -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.92 -0.78 0.00 1.61 0.15 -1.26 -4.89 113.70 106.61 1wwx s SER 8 Ca 0.00 1.19 0.00 0.00 0.70 0.00 0.00 55.95 57.84 1wwx s SER 8 Cb 0.00 1.48 0.00 0.00 -1.71 0.00 0.00 66.02 65.79 1wwx s SER 8 CO 0.00 -0.18 0.00 -1.20 1.20 0.00 0.00 173.24 173.06 1wwx n SER 9 N 4.33 0.00 -3.73 5.45 7.64 -1.26 -5.06 113.62 121.00 1wwx n SER 9 Ca -0.17 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.58 1wwx n SER 9 Cb 0.56 0.02 -0.13 0.00 -1.01 0.00 0.00 64.21 63.65 1wwx n SER 9 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1wwx s HIS 10 N -1.09 -0.32 0.11 1.43 3.76 -1.26 -5.06 115.29 112.86 1wwx s HIS 10 Ca 0.00 0.77 -0.31 0.00 -0.15 0.00 0.00 55.06 55.37 1wwx s HIS 10 Cb 0.00 0.04 -0.11 0.00 1.11 0.00 0.00 32.58 33.62 1wwx s HIS 10 CO 0.00 -0.23 1.60 1.25 -0.85 0.00 0.00 174.74 176.51 1wwx h LEU 11 N 7.18 -1.11 -1.00 0.89 5.85 -1.99 -1.54 115.31 123.59 1wwx h LEU 11 Ca -0.41 0.12 0.41 0.00 0.84 0.00 0.00 57.88 58.84 1wwx h LEU 11 Cb 1.16 0.40 -0.18 0.00 0.37 0.00 0.00 40.66 42.41 1wwx h LEU 11 CO 0.38 -0.48 0.54 4.11 -0.34 0.00 0.00 178.44 182.65 1wwx h TRP 12 N -0.67 0.84 -0.39 1.25 5.08 -1.97 1.22 115.95 121.32 1wwx h TRP 12 Ca 0.01 0.04 -0.13 0.00 1.08 0.00 0.00 58.89 59.88 1wwx h TRP 12 Cb 0.66 -0.20 -0.01 0.00 -3.00 0.00 0.00 29.16 26.62 1wwx h TRP 12 CO -0.30 -0.44 -0.28 0.93 -1.28 0.00 0.00 178.44 177.06 1wwx h GLU 13 N 0.04 0.88 0.76 0.12 5.08 -1.71 -1.31 114.58 118.44 1wwx h GLU 13 Ca 0.84 -0.42 -0.04 0.00 -1.00 0.00 0.00 59.36 58.73 1wwx h GLU 13 Cb 2.18 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.43 1wwx h GLU 13 CO -0.75 1.07 -0.36 0.35 -1.00 0.00 0.00 179.01 178.32 1wwx h PHE 14 N 0.69 -0.95 0.00 4.33 3.04 0.20 0.88 116.94 125.13 1wwx h PHE 14 Ca 0.08 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 1wwx h PHE 14 Cb 0.86 0.31 -0.00 0.00 2.56 0.00 0.00 35.95 39.68 1wwx h PHE 14 CO 0.06 -0.57 -0.03 -0.24 -2.02 0.00 0.00 178.31 175.52 1wwx h VAL 15 N -1.14 0.46 0.07 1.41 3.04 -1.21 -2.16 116.25 116.72 1wwx h VAL 15 Ca -0.10 -0.12 -0.24 0.00 -1.01 0.00 0.00 66.70 65.22 1wwx h VAL 15 Cb 0.80 1.08 0.02 0.00 -2.01 0.00 0.00 31.29 31.18 1wwx h VAL 15 CO 0.17 0.03 -0.98 -0.09 -1.01 0.00 0.00 177.57 175.68 1wwx h ARG 16 N 0.00 0.54 -0.41 4.17 2.43 -0.94 -3.31 114.38 116.85 1wwx h ARG 16 Ca -0.00 -0.68 0.05 0.00 -0.81 0.00 0.00 59.98 58.54 1wwx h ARG 16 Cb 0.08 0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 1wwx h ARG 16 CO 0.00 1.28 0.14 0.22 -1.51 0.00 0.00 179.97 180.11 1wwx h ASP 17 N 0.10 0.15 -0.78 -3.80 3.58 -0.16 -2.08 116.42 113.43 1wwx h ASP 17 Ca -0.14 0.05 0.18 0.00 0.42 0.00 0.00 57.03 57.53 1wwx h ASP 17 Cb 1.69 0.03 -0.12 0.00 1.72 0.00 0.00 39.33 42.65 1wwx h ASP 17 CO 0.19 0.12 0.22 -0.07 -2.88 0.00 0.00 179.24 176.82 1wwx h LEU 18 N 0.31 0.06 -1.31 2.28 4.07 -1.61 1.98 115.31 121.08 1wwx h LEU 18 Ca 0.19 0.15 -0.03 0.00 0.08 0.00 0.00 57.88 58.28 1wwx h LEU 18 Cb 0.18 0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.10 1wwx h LEU 18 CO -0.20 -0.04 0.16 -0.07 -1.08 0.00 0.00 178.44 177.21 1wwx h LEU 19 N 0.29 0.57 -1.00 1.67 3.38 -1.47 -1.77 115.31 116.97 1wwx h LEU 19 Ca 0.46 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1wwx h LEU 19 Cb 0.81 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1wwx h LEU 19 CO -0.53 0.53 -0.26 0.18 0.09 0.00 0.00 178.44 178.45 1wwx n LEU 20 N -4.36 1.82 -3.79 1.67 4.77 0.11 -4.62 117.00 112.61 1wwx n LEU 20 Ca 0.03 -0.61 -0.29 0.00 -0.03 0.00 0.00 56.01 55.11 1wwx n LEU 20 Cb 0.16 -0.04 -0.12 0.00 -2.33 0.00 0.00 43.42 41.09 1wwx n LEU 20 CO 0.38 0.32 -0.15 -0.44 -1.33 0.00 0.00 177.39 176.17 1wwx s SER 21 N -2.33 3.94 0.00 -1.43 0.01 0.63 -4.93 113.70 109.59 1wwx s SER 21 Ca 0.25 -3.32 0.15 0.00 1.31 0.00 0.00 55.95 54.34 1wwx s SER 21 Cb 0.19 -1.31 0.80 0.00 0.21 0.00 0.00 66.02 65.91 1wwx s SER 21 CO 0.47 -0.16 1.40 -0.81 0.41 0.00 0.00 173.24 174.55 1wwx n PRO 22 N 2.65 0.28 0.06 12.44 -0.04 -1.25 -1.69 135.00 147.45 1wwx n PRO 22 Ca 0.16 0.11 -0.02 0.00 -0.04 0.00 0.00 63.50 63.71 1wwx n PRO 22 Cb 0.36 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.26 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 -3.39 114.58 114.89 1wwx h GLU 23 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 1wwx h GLU 23 Cb 0.10 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 1wwx h GLU 23 CO 0.00 0.49 -2.30 0.39 -1.00 0.00 0.00 179.01 176.59 1wwx n GLU 24 N -3.08 0.51 -1.85 2.33 -0.58 -0.98 -4.95 120.64 112.06 1wwx n GLU 24 Ca -0.06 0.19 -0.42 0.00 -0.42 0.00 0.00 57.16 56.45 1wwx n GLU 24 Cb 0.86 -1.37 -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 -6.83 6.54 -0.62 1.62 2.47 -0.68 -4.96 114.94 112.48 1wwx s ASN 25 Ca -0.32 2.56 -0.01 0.00 0.42 0.00 0.00 52.86 55.51 1wwx s ASN 25 Cb 0.11 -2.56 0.16 0.00 -1.45 0.00 0.00 41.25 37.51 1wwx s ASN 25 CO 0.44 -0.94 0.42 0.00 -3.72 0.00 0.00 177.10 173.30 1wwx n GLY 27 N 3.23 -0.45 0.10 0.00 0.00 -1.26 -4.79 105.19 102.01 1wwx n GLY 27 Ca 0.09 0.07 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.80 1.54 -4.34 -0.61 5.41 -1.26 -4.25 119.36 112.05 1wwx n ILE 28 Ca 0.05 -0.79 -0.18 0.00 1.00 0.00 0.00 62.75 62.84 1wwx n ILE 28 Cb 0.49 -0.94 -0.10 0.00 -0.71 0.00 0.00 39.64 38.38 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 -6.01 1.71 -0.03 1.39 1.43 -1.26 -1.15 118.68 114.76 1wwx s LEU 29 Ca -0.11 -1.41 -0.07 0.00 -1.03 0.00 0.00 54.13 51.51 1wwx s LEU 29 Cb 0.07 -0.01 0.01 0.00 0.03 0.00 0.00 46.19 46.29 1wwx s LEU 29 CO 0.80 -0.74 0.17 -1.61 0.23 0.00 0.00 176.35 175.20 1wwx s GLU 30 N -3.99 0.37 -0.56 1.70 2.02 -0.54 -4.81 118.70 112.90 1wwx s GLU 30 Ca 0.37 -0.09 -0.22 0.00 0.02 0.00 0.00 54.97 55.05 1wwx s GLU 30 Cb 0.08 0.16 0.06 0.00 0.10 0.00 0.00 34.13 34.52 1wwx s GLU 30 CO 0.14 -0.08 0.82 -1.58 0.02 0.00 0.00 175.26 174.58 1wwx s TRP 31 N -0.71 2.88 0.02 1.61 0.23 -1.26 -1.20 118.94 120.51 1wwx s TRP 31 Ca -0.08 -0.36 -0.12 0.00 -2.03 0.00 0.00 56.10 53.51 1wwx s TRP 31 Cb -0.05 -3.92 -0.33 0.00 0.03 0.00 0.00 33.47 29.21 1wwx s TRP 31 CO 0.01 -1.29 0.95 0.93 0.96 0.00 0.00 176.95 178.52 1wwx h GLU 32 N 9.24 0.45 -1.68 4.98 5.08 0.04 -3.45 114.58 129.24 1wwx h GLU 32 Ca -0.27 -0.77 -0.14 0.00 -1.00 0.00 0.00 59.36 57.18 1wwx h GLU 32 Cb 1.08 0.28 -0.28 0.00 0.50 0.00 0.00 28.75 30.34 1wwx h GLU 32 CO 1.06 1.36 -0.49 0.34 -1.00 0.00 0.00 179.01 180.28 1wwx s ASP 33 N -7.41 0.09 0.45 1.42 2.15 -0.52 -4.90 116.67 107.96 1wwx s ASP 33 Ca -0.09 -0.04 0.23 0.00 0.43 0.00 0.00 52.55 53.07 1wwx s ASP 33 Cb 0.05 1.24 1.08 0.00 -0.30 0.00 0.00 42.92 44.99 1wwx s ASP 33 CO 0.91 -0.33 1.91 0.03 -0.17 0.00 0.00 175.17 177.53 1wwx h ARG 34 N 8.15 0.00 0.05 4.34 2.47 -1.87 1.51 114.38 129.03 1wwx h ARG 34 Ca -0.13 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.59 1wwx h ARG 34 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 1wwx h ARG 34 CO 0.26 0.23 -0.02 1.05 0.56 0.00 0.00 179.97 182.04 1wwx h GLU 35 N 0.00 -0.06 0.00 0.04 4.11 -1.95 -3.30 114.58 113.42 1wwx h GLU 35 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1wwx h GLU 35 Cb 0.59 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1wwx h GLU 35 CO 0.03 0.46 -0.76 1.96 0.07 0.00 0.00 179.01 180.77 1wwx h GLN 36 N -0.64 0.00 -0.12 1.06 4.20 -1.97 -3.45 115.11 114.19 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 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1wwx h GLN 36 CO 0.01 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.58 1wwx n GLY 37 N 1.28 0.86 3.70 3.46 0.00 0.47 -4.63 105.19 110.33 1wwx n GLY 37 Ca 0.02 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.12 4.64 0.02 -0.61 -1.09 0.15 -3.16 121.20 119.03 1wwx s ILE 38 Ca 0.00 1.91 0.01 0.00 -2.23 0.00 0.00 60.65 60.34 1wwx s ILE 38 Cb 0.00 -4.23 -0.02 0.00 -1.58 0.00 0.00 42.46 36.64 1wwx s ILE 38 CO 0.00 0.06 -0.05 0.72 -1.23 0.00 0.00 174.94 174.44 1wwx s PHE 39 N 1.65 0.41 0.10 3.97 -0.71 0.13 0.80 117.98 124.33 1wwx s PHE 39 Ca 0.52 -0.36 0.08 0.00 -1.04 0.00 0.00 56.93 56.13 1wwx s PHE 39 Cb -0.21 -0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 41.30 1wwx s PHE 39 CO 0.23 -0.09 -0.17 0.50 -1.34 0.00 0.00 175.22 174.35 1wwx s ARG 40 N -1.05 1.89 -1.15 1.99 3.52 -0.34 -0.47 118.95 123.34 1wwx s ARG 40 Ca -0.08 -1.11 -0.11 0.00 -0.13 0.00 0.00 55.73 54.30 1wwx s ARG 40 Cb -0.07 -2.15 0.24 0.00 -1.56 0.00 0.00 34.95 31.40 1wwx s ARG 40 CO -0.00 0.50 1.23 0.08 -0.81 0.00 0.00 175.30 176.30 1wwx s VAL 41 N -1.10 5.66 0.17 7.11 1.01 -0.66 -1.46 120.40 131.13 1wwx s VAL 41 Ca 0.18 -3.15 -0.20 0.00 0.00 0.00 0.00 61.98 58.81 1wwx s VAL 41 Cb -0.11 -4.72 0.10 0.00 0.00 0.00 0.00 36.38 31.65 1wwx s VAL 41 CO 0.09 -1.34 1.63 0.58 0.00 0.00 0.00 175.10 176.06 1wwx h VAL 42 N 4.02 0.38 -3.57 2.92 2.07 -1.43 -3.28 116.25 117.35 1wwx h VAL 42 Ca 0.23 0.00 -0.71 0.00 0.82 0.00 0.00 66.70 67.03 1wwx h VAL 42 Cb 0.87 0.38 -0.33 0.00 -1.52 0.00 0.00 31.29 30.68 1wwx h VAL 42 CO 1.10 0.00 -0.30 -0.54 0.02 0.00 0.00 177.57 177.85 1wwx s LYS 43 N -6.12 2.71 0.44 1.57 1.02 -0.69 -4.91 119.74 113.77 1wwx s LYS 43 Ca -0.14 -2.44 0.21 0.00 0.02 0.00 0.00 55.97 53.62 1wwx s LYS 43 Cb 0.15 -3.85 1.04 0.00 -0.52 0.00 0.00 37.83 34.64 1wwx s LYS 43 CO 0.70 -1.19 1.92 0.66 -0.92 0.00 0.00 175.35 176.51 1wwx h SER 44 N 7.29 0.00 0.19 2.83 4.64 -1.85 0.03 113.55 126.68 1wwx h SER 44 Ca -0.01 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.04 1wwx h SER 44 Cb 0.98 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.09 1wwx h SER 44 CO 0.73 0.25 -1.10 1.05 -0.87 0.00 0.00 176.83 176.89 1wwx h GLU 45 N 0.00 0.56 0.00 4.77 4.11 -1.93 -3.16 114.58 118.94 1wwx h GLU 45 Ca -0.00 -0.67 -0.19 0.00 0.07 0.00 0.00 59.36 58.56 1wwx h GLU 45 Cb 0.56 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1wwx h GLU 45 CO 0.03 1.28 -0.91 0.00 0.07 0.00 0.00 179.01 179.48 1wwx h ALA 46 N 0.47 0.50 -0.50 1.06 0.00 -1.91 -2.66 119.26 116.22 1wwx h ALA 46 Ca -0.14 -0.83 -0.01 0.00 0.00 0.00 0.00 54.91 53.93 1wwx h ALA 46 Cb 1.76 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1wwx h ALA 46 CO 0.20 1.13 0.26 1.25 0.00 0.00 0.00 179.25 182.10 1wwx h LEU 47 N 0.00 0.64 -0.04 0.00 5.85 -1.05 -1.66 115.31 119.04 1wwx h LEU 47 Ca -0.01 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.51 1wwx h LEU 47 Cb 1.61 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 42.48 1wwx h LEU 47 CO 0.12 0.56 -0.34 0.00 -0.34 0.00 0.00 178.44 178.44 1wwx h ALA 48 N 1.10 0.10 -0.63 1.25 0.00 -1.61 -2.58 119.26 116.89 1wwx h ALA 48 Ca 0.17 -0.46 0.12 0.00 0.00 0.00 0.00 54.91 54.74 1wwx h ALA 48 Cb 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 1wwx h ALA 48 CO -0.03 0.18 0.13 0.87 0.00 0.00 0.00 179.25 180.40 1wwx h LYS 49 N -0.24 0.25 -0.06 0.00 1.57 -1.41 0.19 116.57 116.86 1wwx h LYS 49 Ca -0.03 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1wwx h LYS 49 Cb 1.02 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 1wwx h LYS 49 CO 0.07 0.16 -0.00 0.52 -0.57 0.00 0.00 179.45 179.63 1wwx h MET 50 N 0.25 0.11 -0.13 3.15 2.86 -1.37 -3.05 114.93 116.76 1wwx h MET 50 Ca 0.33 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.98 1wwx h MET 50 Cb 0.51 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.10 1wwx h MET 50 CO -0.43 0.39 -0.32 2.35 1.06 0.00 0.00 176.91 179.97 1wwx h TRP 51 N -0.18 -0.87 -0.83 -0.22 -0.00 -0.94 -1.71 115.95 111.20 1wwx h TRP 51 Ca 0.02 0.04 0.20 0.00 -0.00 0.00 0.00 58.89 59.14 1wwx h TRP 51 Cb 0.34 0.40 -0.12 0.00 -0.00 0.00 0.00 29.16 29.78 1wwx h TRP 51 CO 0.03 -0.39 0.28 0.78 -0.00 0.00 0.00 178.44 179.14 1wwx h GLY 52 N -0.39 1.29 0.37 2.65 0.00 -1.01 0.37 103.07 106.36 1wwx h GLY 52 Ca 0.10 -0.09 0.22 0.00 0.00 0.00 0.00 47.33 47.56 1wwx h GLY 52 CO -0.35 -0.25 0.58 1.46 0.00 0.00 0.00 176.54 177.98 1wwx h GLN 53 N 0.32 0.14 -0.11 4.80 4.20 -1.19 0.57 115.11 123.83 1wwx h GLN 53 Ca 0.50 -0.01 -0.20 0.00 0.06 0.00 0.00 58.65 59.00 1wwx h GLN 53 Cb 0.92 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.67 1wwx h GLN 53 CO -0.54 0.09 -0.74 0.00 -0.67 0.00 0.00 178.83 176.97 1wwx h ARG 54 N 0.14 0.57 -0.50 1.46 2.47 -0.18 -3.07 114.38 115.27 1wwx h ARG 54 Ca 0.41 -0.46 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1wwx h ARG 54 Cb 1.40 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.81 1wwx h ARG 54 CO -0.07 1.08 0.00 1.63 0.56 0.00 0.00 179.97 183.18 1wwx n LYS 55 N -3.88 2.31 -4.31 0.04 4.76 0.59 -4.64 118.16 113.02 1wwx n LYS 55 Ca -0.05 -2.01 -0.32 0.00 -2.87 0.00 0.00 58.31 53.05 1wwx n LYS 55 Cb 0.72 -1.46 -0.09 0.00 -1.84 0.00 0.00 35.03 32.36 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 1.16 -1.11 -0.06 1.97 5.02 0.17 -4.84 118.16 120.46 1wwx n LYS 56 Ca 0.19 0.12 -0.22 0.00 -2.02 0.00 0.00 58.31 56.38 1wwx n LYS 56 Cb 0.49 -3.77 -0.12 0.00 -0.02 0.00 0.00 35.03 31.61 1wwx n LYS 56 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1wwx n ASN 57 N -2.85 2.01 0.00 4.39 5.15 -1.08 -4.97 115.26 117.90 1wwx n ASN 57 Ca -0.28 0.24 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 1wwx n ASN 57 Cb 0.67 -0.83 0.00 0.00 -0.53 0.00 0.00 39.78 39.10 1wwx n ASN 57 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1wwx n ASP 58 N -3.83 0.00 -2.16 1.20 -0.08 -1.26 -4.72 116.55 105.70 1wwx n ASP 58 Ca -0.37 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 52.65 1wwx n ASP 58 Cb 0.91 0.00 0.13 0.00 2.34 0.00 0.00 41.12 44.50 1wwx n ASP 58 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wwx n ARG 59 N 0.00 2.47 -3.10 -0.67 1.74 -1.26 -4.97 116.66 110.87 1wwx n ARG 59 Ca 0.00 -3.21 -0.39 0.00 -0.77 0.00 0.00 57.85 53.48 1wwx n ARG 59 Cb 0.00 -2.20 -0.05 0.00 -1.02 0.00 0.00 32.46 29.19 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 -3.53 4.41 -0.05 5.56 1.75 -1.26 -5.01 119.30 121.16 1wwx s MET 60 Ca 0.59 0.86 -0.13 0.00 -1.25 0.00 0.00 55.69 55.76 1wwx s MET 60 Cb 0.48 -3.38 0.03 0.00 2.84 0.00 0.00 34.83 34.79 1wwx s MET 60 CO 0.05 0.24 0.31 -0.08 -0.65 0.00 0.00 175.02 174.89 1wwx s THR 61 N 0.18 0.04 0.26 10.11 -1.32 -1.26 -4.39 115.64 119.25 1wwx s THR 61 Ca 0.35 -0.32 -0.06 0.00 -1.21 0.00 0.00 61.69 60.44 1wwx s THR 61 Cb -0.19 -0.55 0.42 0.00 -1.51 0.00 0.00 72.50 70.67 1wwx s THR 61 CO 0.19 -0.18 1.42 0.00 -2.21 0.00 0.00 174.62 173.84 1wwx n TYR 62 N 1.84 0.35 -0.32 9.09 9.36 -1.26 0.16 117.16 136.39 1wwx n TYR 62 Ca -0.19 1.11 0.15 0.00 3.32 0.00 0.00 57.90 62.29 1wwx n TYR 62 Cb 0.57 -1.04 0.34 0.00 -0.63 0.00 0.00 39.34 38.57 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 0.45 0.04 2.98 5.08 -1.96 0.21 114.58 121.37 1wwx h GLU 63 Ca 0.45 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.69 1wwx h GLU 63 Cb 0.71 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1wwx h GLU 63 CO -0.93 0.29 -0.47 0.87 -1.00 0.00 0.00 179.01 177.77 1wwx h LYS 64 N 0.46 0.08 -0.48 2.33 1.57 0.11 -3.36 116.57 117.28 1wwx h LYS 64 Ca 0.59 -0.14 0.10 0.00 -1.87 0.00 0.00 60.65 59.33 1wwx h LYS 64 Cb 1.13 0.05 -0.10 0.00 0.08 0.00 0.00 32.23 33.39 1wwx h LYS 64 CO -0.51 1.07 -0.20 1.25 -0.57 0.00 0.00 179.45 180.49 1wwx h LEU 65 N -0.81 -0.68 -1.21 2.94 6.46 0.22 0.88 115.31 123.10 1wwx h LEU 65 Ca -0.11 0.17 0.37 0.00 -0.12 0.00 0.00 57.88 58.19 1wwx h LEU 65 Cb 1.24 0.39 -0.14 0.00 -0.73 0.00 0.00 40.66 41.42 1wwx h LEU 65 CO 0.00 -0.23 0.69 0.28 -0.62 0.00 0.00 178.44 178.57 1wwx h SER 66 N -0.09 0.38 -1.09 1.25 0.02 -0.77 0.33 113.55 113.57 1wwx h SER 66 Ca 0.23 0.16 0.38 0.00 -0.84 0.00 0.00 61.79 61.72 1wwx h SER 66 Cb 0.44 0.13 -0.15 0.00 0.14 0.00 0.00 62.40 62.96 1wwx h SER 66 CO -0.54 -0.15 0.64 0.08 -1.14 0.00 0.00 176.83 175.72 1wwx h ARG 67 N 0.21 0.15 0.00 3.45 0.11 -0.96 1.53 114.38 118.87 1wwx h ARG 67 Ca 0.76 -0.01 -0.19 0.00 0.10 0.00 0.00 59.98 60.64 1wwx h ARG 67 Cb 2.06 -0.03 -0.03 0.00 1.11 0.00 0.00 29.97 33.08 1wwx h ARG 67 CO -0.51 0.10 -0.89 0.00 0.10 0.00 0.00 179.97 178.78 1wwx h ALA 68 N 1.82 0.50 -0.21 0.08 0.00 -0.48 -2.63 119.26 118.34 1wwx h ALA 68 Ca 0.79 -0.81 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1wwx h ALA 68 Cb 2.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 1wwx h ALA 68 CO -0.60 1.11 -0.23 -0.07 0.00 0.00 0.00 179.25 179.46 1wwx h LEU 69 N 0.00 0.37 0.00 0.00 3.38 0.21 -0.71 115.31 118.56 1wwx h LEU 69 Ca -0.01 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1wwx h LEU 69 Cb 1.61 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 1wwx h LEU 69 CO 0.12 0.62 -0.80 0.03 0.09 0.00 0.00 178.44 178.49 1wwx h ARG 70 N 0.34 0.00 0.00 1.13 2.47 -1.20 -3.30 114.38 113.82 1wwx h ARG 70 Ca 0.05 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 1wwx h ARG 70 Cb 0.60 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.92 1wwx h ARG 70 CO 0.04 0.13 -0.48 -0.92 0.56 0.00 0.00 179.97 179.30 1wwx h TYR 71 N 0.00 0.00 0.00 3.04 3.20 -1.13 -3.25 116.97 118.82 1wwx h TYR 71 Ca -0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1wwx h TYR 71 Cb 1.17 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.44 1wwx h TYR 71 CO 0.00 0.04 0.00 1.88 -1.64 0.00 0.00 178.16 178.44 1wwx h TYR 72 N 0.00 0.00 0.00 -3.82 0.05 -1.21 -2.97 116.97 109.01 1wwx h TYR 72 Ca -0.01 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 1wwx h TYR 72 Cb 1.04 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.78 1wwx h TYR 72 CO 0.00 0.00 -0.09 1.88 -1.05 0.00 0.00 178.16 178.90 1wwx h TYR 73 N 0.00 0.00 0.02 4.88 0.05 -1.70 0.97 116.97 121.19 1wwx h TYR 73 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 1wwx h TYR 73 Cb 0.69 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.44 1wwx h TYR 73 CO 0.00 0.09 -0.35 0.87 -1.05 0.00 0.00 178.16 177.72 1wwx h LYS 74 N 0.00 0.21 0.00 4.88 1.57 -1.74 -3.26 116.57 118.23 1wwx h LYS 74 Ca -0.00 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1wwx h LYS 74 Cb 0.30 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1wwx h LYS 74 CO 0.01 1.00 0.00 1.79 -0.57 0.00 0.00 179.45 181.68 1wwx h THR 75 N -0.47 0.00 0.00 -0.16 1.35 -1.62 -3.47 112.91 108.54 1wwx h THR 75 Ca -0.05 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1wwx h THR 75 Cb 1.13 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1wwx h THR 75 CO 0.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 1wwx n GLY 76 N 0.90 0.79 0.32 5.82 0.00 0.23 -4.79 105.19 108.47 1wwx n GLY 76 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.12 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 0.85 -1.80 -0.61 1.08 -1.58 -3.23 117.51 112.23 1wwx h ILE 77 Ca 0.00 -0.27 -0.58 0.00 -0.39 0.00 0.00 64.86 63.62 1wwx h ILE 77 Cb 0.00 -0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 33.65 1wwx h ILE 77 CO 0.00 0.14 -0.58 -0.76 -0.69 0.00 0.00 178.15 176.27 1wwx s LEU 78 N -10.29 3.03 -0.13 1.44 1.43 -1.11 -0.64 118.68 112.42 1wwx s LEU 78 Ca -0.12 -1.04 0.01 0.00 -1.03 0.00 0.00 54.13 51.95 1wwx s LEU 78 Cb 0.21 -1.36 0.02 0.00 0.03 0.00 0.00 46.19 45.09 1wwx s LEU 78 CO 0.79 -0.35 -0.14 -1.61 0.23 0.00 0.00 176.35 175.27 1wwx s GLU 79 N -3.78 2.22 0.20 1.70 2.02 0.39 -4.30 118.70 117.15 1wwx s GLU 79 Ca 0.37 -0.54 -0.33 0.00 0.02 0.00 0.00 54.97 54.49 1wwx s GLU 79 Cb 0.02 -1.97 -0.14 0.00 0.10 0.00 0.00 34.13 32.13 1wwx s GLU 79 CO 0.20 -0.15 1.35 -2.13 0.02 0.00 0.00 175.26 174.55 1wwx n ARG 80 N 4.50 1.71 -4.79 1.61 3.00 -1.26 -4.01 116.66 117.42 1wwx n ARG 80 Ca -0.18 0.61 -0.25 0.00 -0.00 0.00 0.00 57.85 58.03 1wwx n ARG 80 Cb 0.51 -2.23 -0.16 0.00 0.00 0.00 0.00 32.46 30.58 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 0.08 1.34 -0.40 5.15 1.01 -1.26 -4.99 120.40 121.33 1wwx s VAL 81 Ca 0.72 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1wwx s VAL 81 Cb -0.74 -1.14 0.50 0.00 0.00 0.00 0.00 36.38 35.00 1wwx s VAL 81 CO 0.49 0.38 1.80 0.47 0.00 0.00 0.00 175.10 178.24 1wwx n ASP 82 N 2.96 4.37 -4.80 3.32 8.00 -1.26 -4.93 116.55 124.22 1wwx n ASP 82 Ca -0.17 -3.33 -0.30 0.00 0.71 0.00 0.00 54.79 51.70 1wwx n ASP 82 Cb 0.54 -0.82 -0.06 0.00 -0.02 0.00 0.00 41.12 40.76 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 -2.72 2.21 -0.16 -1.24 0.52 -1.26 -5.11 118.95 111.19 1wwx s ARG 83 Ca 0.47 -2.25 -0.20 0.00 -0.52 0.00 0.00 55.73 53.22 1wwx s ARG 83 Cb 0.39 -1.73 -0.03 0.00 0.52 0.00 0.00 34.95 34.10 1wwx s ARG 83 CO 0.07 -0.42 0.57 0.50 0.02 0.00 0.00 175.30 176.04 1wwx s ARG 84 N -4.00 4.28 -1.71 3.54 6.06 -1.26 -4.23 118.95 121.62 1wwx s ARG 84 Ca 0.17 0.57 -0.13 0.00 -2.50 0.00 0.00 55.73 53.84 1wwx s ARG 84 Cb 0.01 -3.51 0.12 0.00 0.06 0.00 0.00 34.95 31.63 1wwx s ARG 84 CO 0.10 -0.06 0.37 1.28 -2.50 0.00 0.00 175.30 174.48 1wwx n LEU 85 N 4.41 -1.03 -3.89 -0.88 4.32 -1.26 -4.90 117.00 113.77 1wwx n LEU 85 Ca -0.04 -1.23 -0.27 0.00 -0.02 0.00 0.00 56.01 54.45 1wwx n LEU 85 Cb 0.51 -1.67 -0.17 0.00 -1.62 0.00 0.00 43.42 40.47 1wwx n LEU 85 CO 0.44 0.28 -0.43 -0.69 -1.22 0.00 0.00 177.39 175.77 1wwx s VAL 86 N -3.75 1.02 0.42 4.08 1.01 -1.26 -1.65 120.40 120.28 1wwx s VAL 86 Ca 0.45 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 62.10 1wwx s VAL 86 Cb -0.26 -1.10 -0.06 0.00 0.00 0.00 0.00 36.38 34.96 1wwx s VAL 86 CO 1.00 0.29 0.02 -0.31 0.00 0.00 0.00 175.10 176.10 1wwx s TYR 87 N 1.70 2.25 -0.13 5.22 1.51 0.39 -4.56 117.35 123.73 1wwx s TYR 87 Ca 0.04 -0.81 -0.15 0.00 -1.01 0.00 0.00 57.07 55.14 1wwx s TYR 87 Cb -0.13 -1.64 0.04 0.00 -0.11 0.00 0.00 41.96 40.11 1wwx s TYR 87 CO -0.08 0.30 0.40 0.21 -1.11 0.00 0.00 175.55 175.27 1wwx s LYS 88 N -3.77 0.52 -0.16 -0.62 2.20 -1.26 -0.69 119.74 115.95 1wwx s LYS 88 Ca 0.28 0.44 -0.27 0.00 -0.36 0.00 0.00 55.97 56.05 1wwx s LYS 88 Cb 0.07 0.25 -0.01 0.00 -1.51 0.00 0.00 37.83 36.63 1wwx s LYS 88 CO 0.14 -0.08 0.91 -0.06 -0.36 0.00 0.00 175.35 175.90 1wwx s PHE 89 N -0.07 3.43 0.00 4.03 0.08 -1.19 -0.46 117.98 123.80 1wwx s PHE 89 Ca -0.02 1.38 0.00 0.00 0.12 0.00 0.00 56.93 58.41 1wwx s PHE 89 Cb -0.03 -3.10 0.00 0.00 -0.57 0.00 0.00 43.02 39.31 1wwx s PHE 89 CO 0.01 -0.28 0.00 0.41 -0.10 0.00 0.00 175.22 175.27 1wwx n GLY 90 N 3.34 -1.21 0.08 4.36 0.00 0.19 -4.82 105.19 107.13 1wwx n GLY 90 Ca 0.07 -1.18 0.06 0.00 0.00 0.00 0.00 46.02 44.97 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 0.20 1.61 2.85 -1.22 -4.07 118.16 118.17 1wwx n LYS 91 Ca 0.00 0.04 0.05 0.00 -1.05 0.00 0.00 58.31 57.35 1wwx n LYS 91 Cb 0.00 -1.71 0.43 0.00 -0.65 0.00 0.00 35.03 33.10 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 0.00 -3.41 -5.58 -0.26 -1.82 -3.43 115.58 101.09 1wwx h ASN 92 Ca -0.10 0.00 -0.55 0.00 -0.56 0.00 0.00 56.30 55.10 1wwx h ASN 92 Cb 1.27 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.50 1wwx h ASN 92 CO 0.02 0.32 0.09 0.00 -1.06 0.00 0.00 177.43 176.80 1wwx s ALA 93 N -4.11 3.50 0.34 -0.83 0.00 -1.26 -4.89 121.76 114.51 1wwx s ALA 93 Ca -0.02 0.23 0.09 0.00 0.00 0.00 0.00 51.96 52.26 1wwx s ALA 93 Cb 0.14 -2.84 -0.06 0.00 0.00 0.00 0.00 23.12 20.36 1wwx s ALA 93 CO 0.69 0.31 -0.08 -3.38 0.00 0.00 0.00 175.76 173.30 1wwx s HIS 94 N -1.04 2.42 0.00 0.00 -3.43 -1.26 -4.73 115.29 107.25 1wwx s HIS 94 Ca 0.33 -0.49 0.00 0.00 -0.80 0.00 0.00 55.06 54.10 1wwx s HIS 94 Cb -0.21 -1.40 0.00 0.00 -1.43 0.00 0.00 32.58 29.54 1wwx s HIS 94 CO 0.23 0.57 0.00 0.41 -2.00 0.00 0.00 174.74 173.95 1wwx n GLY 95 N -0.81 3.00 0.11 -1.38 0.00 -1.26 -4.79 105.19 100.06 1wwx n GLY 95 Ca -0.05 -0.80 -0.16 0.00 0.00 0.00 0.00 46.02 45.02 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 0.35 -2.57 1.61 5.08 -1.93 -3.44 115.95 115.04 1wwx h TRP 96 Ca 0.00 -0.19 -0.59 0.00 1.08 0.00 0.00 58.89 59.19 1wwx h TRP 96 Cb 0.00 -0.04 0.17 0.00 -3.00 0.00 0.00 29.16 26.28 1wwx h TRP 96 CO 0.00 0.98 -0.57 1.04 -1.28 0.00 0.00 178.44 178.61 1wwx n GLN 97 N -4.44 0.41 -4.41 0.12 6.02 -1.26 -4.98 117.38 108.83 1wwx n GLN 97 Ca -0.10 0.16 -0.26 0.00 -0.01 0.00 0.00 57.00 56.79 1wwx n GLN 97 Cb 0.54 -1.49 -0.11 0.00 1.02 0.00 0.00 30.24 30.21 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 -1.70 1.68 0.57 -1.09 2.02 -1.26 -5.05 118.70 113.87 1wwx s GLU 98 Ca 0.65 -1.55 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1wwx s GLU 98 Cb -0.50 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 31.84 1wwx s GLU 98 CO 0.58 0.38 0.00 -0.25 0.02 0.00 0.00 175.26 175.99 1wwx n ASP 99 N -0.05 -7.73 -3.64 -0.19 8.00 -1.26 -5.05 116.55 106.63 1wwx n ASP 99 Ca -0.10 1.61 -0.07 0.00 0.71 0.00 0.00 54.79 56.94 1wwx n ASP 99 Cb 0.57 -4.90 -0.07 0.00 -0.02 0.00 0.00 41.12 36.70 1wwx n ASP 99 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1wwx s LYS 100 N -4.94 0.52 0.15 -1.24 1.02 -1.26 -5.17 119.74 108.82 1wwx s LYS 100 Ca 0.00 0.73 0.10 0.00 0.02 0.00 0.00 55.97 56.83 1wwx s LYS 100 Cb 0.00 0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 37.46 1wwx s LYS 100 CO 0.00 -0.08 -0.24 -0.48 -0.92 0.00 0.00 175.35 173.63 1wwx s LEU 101 N 0.77 2.37 -1.71 3.17 2.34 -1.26 -4.71 118.68 119.64 1wwx s LEU 101 Ca -0.03 -0.79 -0.20 0.00 0.06 0.00 0.00 54.13 53.17 1wwx s LEU 101 Cb -0.05 -1.11 0.19 0.00 -0.56 0.00 0.00 46.19 44.67 1wwx s LEU 101 CO -0.10 0.12 0.64 -1.20 -1.06 0.00 0.00 176.35 174.75 1wwx n SER 102 N 0.65 -2.45 -4.21 1.48 7.64 -1.26 -4.87 113.62 110.61 1wwx n SER 102 Ca -0.16 -1.04 -0.41 0.00 1.01 0.00 0.00 58.87 58.27 1wwx n SER 102 Cb 0.55 -2.07 -0.05 0.00 -1.01 0.00 0.00 64.21 61.63 1wwx n SER 102 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wwx s GLY 103 N -3.18 2.73 0.08 0.23 0.00 -1.26 -4.90 107.32 101.03 1wwx s GLY 103 Ca 0.75 -3.44 -0.17 0.00 0.00 0.00 0.00 44.72 41.86 1wwx s GLY 103 CO 0.92 1.20 1.39 -0.56 0.00 0.00 0.00 173.10 176.05 1wwx h PRO 104 N 7.13 0.59 0.00 2.90 0.13 -2.00 -3.46 132.00 137.28 1wwx h PRO 104 Ca 0.08 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1wwx h PRO 104 Cb 0.96 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1wwx h PRO 104 CO 0.78 0.91 0.00 -1.13 -0.23 0.00 0.00 178.00 178.33 1wwx n SER 105 N -4.35 0.00 0.00 1.44 3.41 -1.26 -5.17 113.62 107.69 1wwx n SER 105 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1wwx n SER 105 Cb 0.44 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1wwx n SER 105 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wwx n SER 106 N -1.85 0.00 0.00 4.04 7.64 -1.26 -5.29 113.62 116.90 1wwx n SER 106 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wwx n SER 106 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wwx n SER 106 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64