#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 0.00 -4.89 1.61 2.88 -1.26 -5.12 113.62 106.85 1wwx n SER 2 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1wwx n SER 2 Cb 0.00 0.11 -0.04 0.00 -0.75 0.00 0.00 64.21 63.52 1wwx n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wwx s SER 3 N -3.41 6.54 0.16 -3.46 0.01 -1.26 -5.10 113.70 107.17 1wwx s SER 3 Ca 0.00 0.89 0.02 0.00 1.31 0.00 0.00 55.95 58.17 1wwx s SER 3 Cb 0.00 -2.22 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 1wwx s SER 3 CO 0.00 -0.19 -0.01 -0.83 0.41 0.00 0.00 173.24 172.62 1wwx s GLY 4 N -2.84 1.13 0.66 3.44 0.00 -1.26 -5.15 107.32 103.30 1wwx s GLY 4 Ca 0.47 -1.54 -0.15 0.00 0.00 0.00 0.00 44.72 43.50 1wwx s GLY 4 CO 0.26 -1.51 1.11 -0.56 0.00 0.00 0.00 173.10 172.40 1wwx s SER 5 N -3.14 5.14 -0.35 1.64 0.01 -1.26 -5.02 113.70 110.72 1wwx s SER 5 Ca 0.22 1.99 -0.07 0.00 1.31 0.00 0.00 55.95 59.40 1wwx s SER 5 Cb 0.06 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 63.78 1wwx s SER 5 CO 0.02 -1.61 0.13 -0.55 0.41 0.00 0.00 173.24 171.65 1wwx s SER 6 N -2.60 5.39 0.00 2.44 0.15 -1.26 -4.97 113.70 112.85 1wwx s SER 6 Ca 0.67 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1wwx s SER 6 Cb -0.20 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 1wwx s SER 6 CO 0.41 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 175.10 1wwx n GLY 7 N 4.84 3.43 3.06 9.45 0.00 -1.26 -5.14 105.19 119.58 1wwx n GLY 7 Ca -0.12 -1.49 -0.16 0.00 0.00 0.00 0.00 46.02 44.25 1wwx n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wwx s SER 8 N 0.00 1.09 0.00 1.61 0.01 -1.26 -5.15 113.70 110.00 1wwx s SER 8 Ca 0.00 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1wwx s SER 8 Cb 0.00 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.19 1wwx s SER 8 CO 0.00 -0.05 0.00 -1.20 0.41 0.00 0.00 173.24 172.40 1wwx n SER 9 N 2.02 0.00 -1.47 2.44 7.64 -1.26 -5.04 113.62 117.94 1wwx n SER 9 Ca -0.18 -0.72 0.14 0.00 1.01 0.00 0.00 58.87 59.11 1wwx n SER 9 Cb 0.56 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.68 1wwx n SER 9 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1wwx n HIS 10 N 0.00 -3.90 0.00 1.43 8.25 -1.26 -2.94 115.22 116.80 1wwx n HIS 10 Ca 0.00 2.15 -0.10 0.00 -0.26 0.00 0.00 57.72 59.52 1wwx n HIS 10 Cb 0.00 -3.49 -0.08 0.00 1.12 0.00 0.00 29.99 27.54 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 -1.11 -0.10 -0.73 2.41 7.12 -1.98 -1.47 115.31 119.44 1wwx h LEU 11 Ca -0.16 -0.45 0.13 0.00 0.13 0.00 0.00 57.88 57.53 1wwx h LEU 11 Cb 1.28 0.03 -0.09 0.00 -0.53 0.00 0.00 40.66 41.35 1wwx h LEU 11 CO 0.06 0.55 0.30 4.11 -0.13 0.00 0.00 178.44 183.33 1wwx h TRP 12 N -0.92 0.52 -0.19 1.25 5.08 -1.92 -1.67 115.95 118.09 1wwx h TRP 12 Ca -0.01 0.03 -0.08 0.00 1.08 0.00 0.00 58.89 59.91 1wwx h TRP 12 Cb 0.54 -0.12 -0.00 0.00 -3.00 0.00 0.00 29.16 26.58 1wwx h TRP 12 CO 0.12 0.10 -0.18 0.93 -1.28 0.00 0.00 178.44 178.12 1wwx h GLU 13 N 0.46 0.46 -0.35 0.12 5.08 -1.71 -2.44 114.58 116.20 1wwx h GLU 13 Ca 0.39 -0.24 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 1wwx h GLU 13 Cb 0.55 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.72 1wwx h GLU 13 CO -0.37 0.81 -0.35 0.35 -1.00 0.00 0.00 179.01 178.45 1wwx h PHE 14 N 0.13 -0.98 0.00 4.33 3.57 -0.41 0.58 116.94 124.16 1wwx h PHE 14 Ca 0.03 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1wwx h PHE 14 Cb 0.72 0.48 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 1wwx h PHE 14 CO 0.08 -0.40 -0.12 -0.24 -2.23 0.00 0.00 178.31 175.40 1wwx h VAL 15 N -0.30 0.45 0.05 1.41 3.04 -1.38 -2.56 116.25 116.96 1wwx h VAL 15 Ca 0.15 -0.62 -0.24 0.00 -1.01 0.00 0.00 66.70 64.98 1wwx h VAL 15 Cb 0.55 1.43 -0.00 0.00 -2.01 0.00 0.00 31.29 31.27 1wwx h VAL 15 CO -0.52 0.12 -1.06 -0.09 -1.01 0.00 0.00 177.57 175.02 1wwx h ARG 16 N 0.00 0.29 0.13 4.17 2.43 -0.03 -3.32 114.38 118.05 1wwx h ARG 16 Ca -0.00 -0.39 -0.01 0.00 -0.81 0.00 0.00 59.98 58.78 1wwx h ARG 16 Cb 0.42 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1wwx h ARG 16 CO 0.02 1.12 -0.06 0.22 -1.51 0.00 0.00 179.97 179.75 1wwx h ASP 17 N 0.13 -0.14 -0.93 -3.80 3.58 0.41 -2.85 116.42 112.82 1wwx h ASP 17 Ca -0.09 -0.08 0.27 0.00 0.42 0.00 0.00 57.03 57.55 1wwx h ASP 17 Cb 1.73 0.04 -0.15 0.00 1.72 0.00 0.00 39.33 42.67 1wwx h ASP 17 CO 0.17 -0.01 0.26 -0.07 -2.88 0.00 0.00 179.24 176.71 1wwx h LEU 18 N -0.27 -0.02 -1.34 2.28 4.07 -1.64 1.51 115.31 119.91 1wwx h LEU 18 Ca -0.02 0.22 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1wwx h LEU 18 Cb 0.22 0.30 -0.03 0.00 1.08 0.00 0.00 40.66 42.22 1wwx h LEU 18 CO 0.03 -0.23 0.39 -0.07 -1.08 0.00 0.00 178.44 177.48 1wwx h LEU 19 N 0.15 0.73 -0.04 1.67 3.38 -1.62 -1.61 115.31 117.98 1wwx h LEU 19 Ca 0.61 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.55 1wwx h LEU 19 Cb 1.31 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1wwx h LEU 19 CO -0.72 0.55 -0.64 0.18 0.09 0.00 0.00 178.44 177.90 1wwx n LEU 20 N -4.42 0.70 -3.89 1.67 4.77 0.33 -4.60 117.00 111.55 1wwx n LEU 20 Ca 0.06 -0.18 -0.29 0.00 -0.03 0.00 0.00 56.01 55.58 1wwx n LEU 20 Cb 0.06 -0.16 -0.13 0.00 -2.33 0.00 0.00 43.42 40.86 1wwx n LEU 20 CO 0.36 0.17 -0.13 -0.44 -1.33 0.00 0.00 177.39 176.02 1wwx s SER 21 N -2.97 4.39 0.00 -1.43 0.01 0.43 -4.92 113.70 109.21 1wwx s SER 21 Ca 0.11 -3.33 0.14 0.00 1.31 0.00 0.00 55.95 54.18 1wwx s SER 21 Cb 0.17 -1.55 0.64 0.00 0.21 0.00 0.00 66.02 65.49 1wwx s SER 21 CO 0.74 -0.17 1.44 -0.81 0.41 0.00 0.00 173.24 174.85 1wwx n PRO 22 N 2.67 0.05 0.08 12.44 -0.04 -1.24 -1.81 135.00 147.15 1wwx n PRO 22 Ca 0.12 0.23 -0.06 0.00 -0.04 0.00 0.00 63.50 63.75 1wwx n PRO 22 Cb 0.34 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.25 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 -3.36 114.58 114.93 1wwx h GLU 23 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.95 1wwx h GLU 23 Cb 0.22 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 1wwx h GLU 23 CO 0.00 0.90 -2.49 0.39 -1.00 0.00 0.00 179.01 176.81 1wwx n GLU 24 N -3.46 0.63 -2.04 2.33 -0.58 -1.03 -4.91 120.64 111.58 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 0.86 -1.51 -0.03 0.00 -0.57 0.00 0.00 31.44 30.19 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 -6.75 6.58 -0.68 1.62 2.47 -0.75 -4.96 114.94 112.47 1wwx s ASN 25 Ca -0.36 2.06 0.02 0.00 0.42 0.00 0.00 52.86 55.00 1wwx s ASN 25 Cb 0.10 -2.53 0.17 0.00 -1.45 0.00 0.00 41.25 37.54 1wwx s ASN 25 CO 0.57 -1.03 0.49 0.00 -3.72 0.00 0.00 177.10 173.41 1wwx n GLY 27 N 2.64 -0.50 0.13 0.00 0.00 -1.26 -4.87 105.19 101.33 1wwx n GLY 27 Ca 0.14 0.14 -0.19 0.00 0.00 0.00 0.00 46.02 46.11 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 -4.38 1.60 -4.42 -0.61 5.41 -1.26 -4.09 119.36 111.61 1wwx n ILE 28 Ca -0.03 -0.60 -0.21 0.00 1.00 0.00 0.00 62.75 62.91 1wwx n ILE 28 Cb 0.56 -1.53 -0.10 0.00 -0.71 0.00 0.00 39.64 37.86 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 1.96 0.00 1.39 1.43 -1.26 0.22 118.68 115.71 1wwx s LEU 29 Ca -0.30 -1.44 -0.13 0.00 -1.03 0.00 0.00 54.13 51.23 1wwx s LEU 29 Cb 0.08 -0.19 0.02 0.00 0.03 0.00 0.00 46.19 46.13 1wwx s LEU 29 CO 0.66 -0.71 0.28 -1.83 0.23 0.00 0.00 176.35 174.98 1wwx s GLU 30 N -3.90 0.67 -0.19 1.70 -1.05 -0.77 -4.78 118.70 110.38 1wwx s GLU 30 Ca 0.35 -0.32 -0.18 0.00 -0.15 0.00 0.00 54.97 54.66 1wwx s GLU 30 Cb 0.07 0.29 -0.03 0.00 -0.44 0.00 0.00 34.13 34.02 1wwx s GLU 30 CO 0.15 -0.19 0.52 -1.58 0.95 0.00 0.00 175.26 175.10 1wwx s TRP 31 N -1.68 3.40 -0.27 4.83 0.52 -1.26 -1.81 118.94 122.65 1wwx s TRP 31 Ca -0.11 0.80 -0.14 0.00 0.02 0.00 0.00 56.10 56.66 1wwx s TRP 31 Cb -0.04 -2.66 -0.13 0.00 -1.15 0.00 0.00 33.47 29.50 1wwx s TRP 31 CO 0.02 -0.06 -0.32 0.39 0.02 0.00 0.00 176.95 177.00 1wwx n GLU 32 N 4.61 0.59 -3.00 4.98 1.02 -0.90 -4.87 120.64 123.07 1wwx n GLU 32 Ca -0.05 0.28 -0.17 0.00 -0.02 0.00 0.00 57.16 57.20 1wwx n GLU 32 Cb 0.51 -1.51 -0.02 0.00 -0.02 0.00 0.00 31.44 30.40 1wwx n GLU 32 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wwx n ASP 33 N -4.24 -1.33 -0.24 1.62 8.00 -1.18 -4.99 116.55 114.20 1wwx n ASP 33 Ca -0.53 -2.94 0.18 0.00 0.71 0.00 0.00 54.79 52.21 1wwx n ASP 33 Cb 0.88 0.52 0.34 0.00 -0.02 0.00 0.00 41.12 42.84 1wwx n ASP 33 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1wwx n ARG 34 N 1.66 -0.05 -0.05 -1.24 3.00 -1.26 0.15 116.66 118.88 1wwx n ARG 34 Ca 0.16 1.03 -0.08 0.00 -0.00 0.00 0.00 57.85 58.97 1wwx n ARG 34 Cb 0.57 -1.76 -0.01 0.00 0.00 0.00 0.00 32.46 31.25 1wwx n ARG 34 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1wwx h GLU 35 N 0.00 -0.13 0.00 -0.14 4.39 -1.95 -1.92 114.58 114.82 1wwx h GLU 35 Ca 0.55 0.01 -0.13 0.00 0.34 0.00 0.00 59.36 60.12 1wwx h GLU 35 Cb 1.35 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.01 1wwx h GLU 35 CO -0.60 -0.09 -0.62 1.96 -1.16 0.00 0.00 179.01 178.50 1wwx h GLN 36 N -0.14 0.00 0.00 2.33 4.20 0.10 -3.48 115.11 118.13 1wwx h GLN 36 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1wwx h GLN 36 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1wwx h GLN 36 CO -0.32 0.62 0.00 0.41 -0.67 0.00 0.00 178.83 178.87 1wwx n GLY 37 N 1.08 1.06 3.82 3.46 0.00 0.98 -4.84 105.19 110.76 1wwx n GLY 37 Ca 0.01 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 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 5.14 0.03 -0.61 1.01 -1.23 -2.47 121.20 121.07 1wwx s ILE 38 Ca 0.00 0.73 -0.01 0.00 0.00 0.00 0.00 60.65 61.36 1wwx s ILE 38 Cb 0.00 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 1wwx s ILE 38 CO 0.00 0.55 -0.00 0.72 0.00 0.00 0.00 174.94 176.20 1wwx s PHE 39 N -0.77 0.29 0.07 3.97 -0.71 0.29 -2.11 117.98 119.01 1wwx s PHE 39 Ca 0.22 -0.61 0.05 0.00 -1.04 0.00 0.00 56.93 55.55 1wwx s PHE 39 Cb -0.15 -0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.40 1wwx s PHE 39 CO 0.11 -0.26 -0.07 0.50 -1.34 0.00 0.00 175.22 174.16 1wwx s ARG 40 N -2.10 2.34 -1.06 1.99 3.52 -0.75 -0.69 118.95 122.19 1wwx s ARG 40 Ca -0.10 -0.90 -0.13 0.00 -0.13 0.00 0.00 55.73 54.47 1wwx s ARG 40 Cb -0.05 -2.41 0.20 0.00 -1.56 0.00 0.00 34.95 31.14 1wwx s ARG 40 CO -0.03 0.54 1.17 0.08 -0.81 0.00 0.00 175.30 176.25 1wwx s VAL 41 N -1.16 5.36 0.14 7.11 1.01 0.59 -1.85 120.40 131.60 1wwx s VAL 41 Ca 0.21 -2.64 -0.29 0.00 0.00 0.00 0.00 61.98 59.26 1wwx s VAL 41 Cb -0.11 -4.72 -0.04 0.00 0.00 0.00 0.00 36.38 31.50 1wwx s VAL 41 CO 0.12 -1.37 1.58 0.58 0.00 0.00 0.00 175.10 176.01 1wwx h VAL 42 N 4.61 0.12 -3.42 2.92 2.07 -0.52 -3.33 116.25 118.70 1wwx h VAL 42 Ca 0.21 0.00 -0.71 0.00 0.82 0.00 0.00 66.70 67.02 1wwx h VAL 42 Cb 0.93 0.12 -0.32 0.00 -1.52 0.00 0.00 31.29 30.50 1wwx h VAL 42 CO 1.07 0.00 -0.49 -0.54 0.02 0.00 0.00 177.57 177.62 1wwx s LYS 43 N -5.86 2.19 0.39 1.57 1.02 -0.05 -4.93 119.74 114.06 1wwx s LYS 43 Ca -0.15 -1.78 0.16 0.00 0.02 0.00 0.00 55.97 54.22 1wwx s LYS 43 Cb 0.10 -3.70 0.79 0.00 -0.52 0.00 0.00 37.83 34.50 1wwx s LYS 43 CO 0.64 -1.10 1.82 0.66 -0.92 0.00 0.00 175.35 176.45 1wwx h SER 44 N 8.20 0.00 0.07 2.83 4.64 -1.85 -1.41 113.55 126.03 1wwx h SER 44 Ca -0.16 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1wwx h SER 44 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1wwx h SER 44 CO 0.75 0.36 -0.03 1.05 -0.87 0.00 0.00 176.83 178.09 1wwx h GLU 45 N 0.00 -0.09 -0.72 4.77 4.11 -1.94 -3.10 114.58 117.60 1wwx h GLU 45 Ca -0.00 0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1wwx h GLU 45 Cb 0.71 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 1wwx h GLU 45 CO 0.05 0.46 0.43 0.00 0.07 0.00 0.00 179.01 180.03 1wwx h ALA 46 N -0.21 1.41 -0.39 1.06 0.00 -1.97 0.75 119.26 119.91 1wwx h ALA 46 Ca -0.01 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1wwx h ALA 46 Cb 0.60 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1wwx h ALA 46 CO 0.02 0.51 0.18 1.25 0.00 0.00 0.00 179.25 181.20 1wwx h LEU 47 N 0.99 0.24 0.07 0.00 5.85 -1.34 -0.87 115.31 120.24 1wwx h LEU 47 Ca 0.26 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 1wwx h LEU 47 Cb -0.04 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1wwx h LEU 47 CO -0.05 0.18 -0.03 0.00 -0.34 0.00 0.00 178.44 178.20 1wwx h ALA 48 N 1.22 -0.09 -0.74 1.25 0.00 -1.39 -2.50 119.26 117.02 1wwx h ALA 48 Ca 0.17 -0.29 0.16 0.00 0.00 0.00 0.00 54.91 54.95 1wwx h ALA 48 Cb 0.10 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 17.79 1wwx h ALA 48 CO -0.14 -0.20 -0.09 0.87 0.00 0.00 0.00 179.25 179.69 1wwx h LYS 49 N -0.78 0.05 -0.20 0.00 1.57 -0.80 0.12 116.57 116.53 1wwx h LYS 49 Ca -0.01 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1wwx h LYS 49 Cb 0.62 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1wwx h LYS 49 CO 0.01 0.03 0.03 0.52 -0.57 0.00 0.00 179.45 179.48 1wwx h MET 50 N 0.05 0.33 0.02 3.15 2.86 -1.24 -3.07 114.93 117.02 1wwx h MET 50 Ca 0.38 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.96 1wwx h MET 50 Cb 0.63 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.21 1wwx h MET 50 CO -0.71 0.49 -0.34 2.35 1.06 0.00 0.00 176.91 179.76 1wwx h TRP 51 N 0.12 -0.95 -0.79 -0.22 -0.00 -0.55 -2.22 115.95 111.34 1wwx h TRP 51 Ca 0.06 0.03 0.19 0.00 -0.00 0.00 0.00 58.89 59.16 1wwx h TRP 51 Cb 0.32 0.42 -0.14 0.00 -0.00 0.00 0.00 29.16 29.76 1wwx h TRP 51 CO 0.02 -0.44 0.04 0.78 -0.00 0.00 0.00 178.44 178.85 1wwx h GLY 52 N -0.51 0.94 0.01 2.65 0.00 -0.86 0.46 103.07 105.76 1wwx h GLY 52 Ca 0.05 0.09 0.26 0.00 0.00 0.00 0.00 47.33 47.73 1wwx h GLY 52 CO -0.27 -0.31 0.68 1.46 0.00 0.00 0.00 176.54 178.10 1wwx h GLN 53 N 0.12 0.25 -0.34 4.80 1.08 -1.30 0.54 115.11 120.26 1wwx h GLN 53 Ca 0.44 -0.01 -0.13 0.00 -1.45 0.00 0.00 58.65 57.50 1wwx h GLN 53 Cb 0.80 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.17 1wwx h GLN 53 CO -0.67 0.16 -0.29 0.00 -0.95 0.00 0.00 178.83 177.08 1wwx h ARG 54 N 0.25 0.79 -0.15 1.46 2.47 -0.01 -2.88 114.38 116.30 1wwx h ARG 54 Ca 0.52 -0.40 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 1wwx h ARG 54 Cb 1.58 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.91 1wwx h ARG 54 CO -0.16 1.03 0.00 1.63 0.56 0.00 0.00 179.97 183.03 1wwx n LYS 55 N -4.21 1.72 -4.02 0.04 4.76 0.56 -4.93 118.16 112.07 1wwx n LYS 55 Ca -0.03 -1.08 -0.27 0.00 -2.87 0.00 0.00 58.31 54.06 1wwx n LYS 55 Cb 0.48 -1.40 -0.03 0.00 -1.84 0.00 0.00 35.03 32.24 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 0.30 -3.03 -0.07 1.97 4.76 0.16 -4.88 118.16 117.38 1wwx n LYS 56 Ca 0.16 0.37 -0.22 0.00 -2.87 0.00 0.00 58.31 55.75 1wwx n LYS 56 Cb 0.33 -4.49 -0.13 0.00 -1.84 0.00 0.00 35.03 28.91 1wwx n LYS 56 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1wwx n ASN 57 N -2.94 2.02 0.00 4.39 5.15 -1.07 -4.97 115.26 117.83 1wwx n ASN 57 Ca -0.27 0.19 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 1wwx n ASN 57 Cb 0.67 -0.78 0.00 0.00 -0.53 0.00 0.00 39.78 39.13 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 -3.73 0.00 -2.31 1.20 2.03 -1.26 -4.71 116.55 107.77 1wwx n ASP 58 Ca -0.38 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.59 1wwx n ASP 58 Cb 0.94 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 41.42 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 0.00 2.71 -3.36 -0.67 1.74 -1.26 -4.97 116.66 110.85 1wwx n ARG 59 Ca 0.00 -3.32 -0.38 0.00 -0.77 0.00 0.00 57.85 53.38 1wwx n ARG 59 Cb 0.00 -2.28 -0.06 0.00 -1.02 0.00 0.00 32.46 29.10 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 -3.79 4.12 -0.14 5.56 1.75 -1.26 -5.01 119.30 120.52 1wwx s MET 60 Ca 0.64 0.58 -0.24 0.00 -1.25 0.00 0.00 55.69 55.41 1wwx s MET 60 Cb 0.50 -3.26 0.06 0.00 2.84 0.00 0.00 34.83 34.97 1wwx s MET 60 CO -0.00 0.58 0.61 -0.08 -0.65 0.00 0.00 175.02 175.48 1wwx s THR 61 N -0.83 0.01 0.22 10.11 -1.32 -1.26 -4.44 115.64 118.13 1wwx s THR 61 Ca 0.27 -0.06 -0.07 0.00 -1.21 0.00 0.00 61.69 60.62 1wwx s THR 61 Cb -0.18 -0.89 0.35 0.00 -1.51 0.00 0.00 72.50 70.28 1wwx s THR 61 CO 0.16 -0.03 1.26 0.00 -2.21 0.00 0.00 174.62 173.79 1wwx n TYR 62 N 1.87 0.26 -0.30 9.09 9.36 -1.26 0.15 117.16 136.34 1wwx n TYR 62 Ca -0.17 0.98 0.13 0.00 3.32 0.00 0.00 57.90 62.17 1wwx n TYR 62 Cb 0.56 -0.95 0.29 0.00 -0.63 0.00 0.00 39.34 38.61 1wwx n TYR 62 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1wwx h GLU 63 N 0.00 0.16 0.03 2.98 4.81 -1.96 0.21 114.58 120.80 1wwx h GLU 63 Ca 0.38 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.47 1wwx h GLU 63 Cb 0.58 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1wwx h GLU 63 CO -0.83 0.10 -0.67 0.87 -0.73 0.00 0.00 179.01 177.75 1wwx h LYS 64 N 0.16 0.07 -0.88 1.92 1.57 0.10 -3.36 116.57 116.16 1wwx h LYS 64 Ca 0.55 -0.12 0.23 0.00 -1.87 0.00 0.00 60.65 59.45 1wwx h LYS 64 Cb 1.13 0.04 -0.14 0.00 0.08 0.00 0.00 32.23 33.34 1wwx h LYS 64 CO -0.70 1.06 0.25 1.25 -0.57 0.00 0.00 179.45 180.74 1wwx h LEU 65 N -0.82 0.03 -1.48 2.94 6.46 0.29 0.58 115.31 123.30 1wwx h LEU 65 Ca -0.16 0.19 0.26 0.00 -0.12 0.00 0.00 57.88 58.05 1wwx h LEU 65 Cb 1.28 0.25 -0.08 0.00 -0.73 0.00 0.00 40.66 41.38 1wwx h LEU 65 CO -0.04 -0.14 0.68 0.77 -0.62 0.00 0.00 178.44 179.09 1wwx h SER 66 N 0.22 0.37 -0.99 1.25 4.64 -0.76 0.12 113.55 118.40 1wwx h SER 66 Ca 0.55 0.06 0.33 0.00 -0.47 0.00 0.00 61.79 62.26 1wwx h SER 66 Cb 1.11 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.05 1wwx h SER 66 CO -0.64 0.09 0.53 0.08 -0.87 0.00 0.00 176.83 176.01 1wwx h ARG 67 N 0.34 0.26 -0.03 4.77 0.11 -0.01 0.87 114.38 120.69 1wwx h ARG 67 Ca 0.56 -0.02 -0.19 0.00 0.10 0.00 0.00 59.98 60.43 1wwx h ARG 67 Cb 1.54 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 32.55 1wwx h ARG 67 CO -0.23 0.18 -0.81 0.00 0.10 0.00 0.00 179.97 179.20 1wwx h ALA 68 N 1.86 0.55 -0.33 0.08 0.00 -1.11 -1.81 119.26 118.50 1wwx h ALA 68 Ca 0.73 -0.66 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1wwx h ALA 68 Cb 1.69 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 1wwx h ALA 68 CO -0.63 0.82 -0.11 -0.07 0.00 0.00 0.00 179.25 179.25 1wwx h LEU 69 N 0.20 0.54 0.00 0.00 3.38 0.64 -1.48 115.31 118.59 1wwx h LEU 69 Ca -0.04 -0.14 -0.20 0.00 0.09 0.00 0.00 57.88 57.59 1wwx h LEU 69 Cb 1.41 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 1wwx h LEU 69 CO 0.13 0.69 -1.08 0.03 0.09 0.00 0.00 178.44 178.30 1wwx h ARG 70 N 0.51 0.00 0.00 1.13 3.08 -0.97 -3.25 114.38 114.89 1wwx h ARG 70 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1wwx h ARG 70 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1wwx h ARG 70 CO 0.03 0.70 0.00 -0.92 -1.07 0.00 0.00 179.97 178.71 1wwx h TYR 71 N 0.00 0.00 0.00 3.04 3.20 -1.05 -3.05 116.97 119.11 1wwx h TYR 71 Ca -0.08 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.76 1wwx h TYR 71 Cb 1.71 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.97 1wwx h TYR 71 CO 0.00 0.00 -0.20 1.88 -1.64 0.00 0.00 178.16 178.20 1wwx h TYR 72 N 0.00 0.00 -0.32 -3.82 0.05 -1.31 -3.25 116.97 108.32 1wwx h TYR 72 Ca 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 1wwx h TYR 72 Cb 0.68 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.40 1wwx h TYR 72 CO 0.00 0.15 -0.04 1.88 -1.05 0.00 0.00 178.16 179.10 1wwx h TYR 73 N 0.00 0.53 -0.01 4.88 0.05 -1.65 0.35 116.97 121.11 1wwx h TYR 73 Ca -0.00 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.71 1wwx h TYR 73 Cb 1.12 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 38.71 1wwx h TYR 73 CO 0.00 0.56 0.01 0.87 -1.05 0.00 0.00 178.16 178.54 1wwx h LYS 74 N 0.48 0.02 0.00 4.88 1.57 -1.73 -2.96 116.57 118.84 1wwx h LYS 74 Ca 0.10 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1wwx h LYS 74 Cb 0.38 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1wwx h LYS 74 CO 0.02 0.18 -0.40 1.79 -0.57 0.00 0.00 179.45 180.47 1wwx h THR 75 N -0.15 0.76 0.00 -0.16 1.35 -1.66 -3.47 112.91 109.58 1wwx h THR 75 Ca 0.00 -1.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.06 1wwx h THR 75 Cb 0.17 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1wwx h THR 75 CO -0.00 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 1wwx n GLY 76 N 0.82 1.64 0.33 5.82 0.00 0.11 -4.79 105.19 109.11 1wwx n GLY 76 Ca 0.01 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.30 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 0.19 -2.32 -0.61 1.08 -1.51 -3.30 117.51 111.05 1wwx h ILE 77 Ca 0.00 -0.07 -0.60 0.00 -0.39 0.00 0.00 64.86 63.80 1wwx h ILE 77 Cb 0.00 -0.04 -0.13 0.00 -3.07 0.00 0.00 36.82 33.59 1wwx h ILE 77 CO 0.00 0.04 -0.72 -0.76 -0.69 0.00 0.00 178.15 176.02 1wwx s LEU 78 N -10.45 2.81 -0.22 1.44 1.43 -1.11 -0.48 118.68 112.11 1wwx s LEU 78 Ca -0.10 -0.86 -0.03 0.00 -1.03 0.00 0.00 54.13 52.11 1wwx s LEU 78 Cb 0.32 -1.35 -0.00 0.00 0.03 0.00 0.00 46.19 45.18 1wwx s LEU 78 CO 0.79 0.04 -0.06 -1.61 0.23 0.00 0.00 176.35 175.73 1wwx s GLU 79 N -3.47 3.27 -0.24 1.70 2.02 0.15 -4.27 118.70 117.86 1wwx s GLU 79 Ca 0.30 -0.69 -0.35 0.00 0.02 0.00 0.00 54.97 54.25 1wwx s GLU 79 Cb -0.06 -2.95 -0.12 0.00 0.10 0.00 0.00 34.13 31.10 1wwx s GLU 79 CO 0.16 -0.22 2.02 -2.13 0.02 0.00 0.00 175.26 175.11 1wwx n ARG 80 N 4.76 1.55 -4.30 1.61 0.63 -1.26 -4.09 116.66 115.56 1wwx n ARG 80 Ca -0.18 0.51 -0.34 0.00 -0.92 0.00 0.00 57.85 56.91 1wwx n ARG 80 Cb 0.50 -2.54 -0.09 0.00 0.45 0.00 0.00 32.46 30.78 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 5.70 4.39 -0.50 5.15 1.01 -1.26 -5.01 120.40 129.88 1wwx s VAL 81 Ca 1.01 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.69 1wwx s VAL 81 Cb -0.79 -2.89 0.58 0.00 0.00 0.00 0.00 36.38 33.28 1wwx s VAL 81 CO 0.51 0.52 1.89 0.47 0.00 0.00 0.00 175.10 178.50 1wwx n ASP 82 N 1.84 4.94 -4.73 3.32 8.00 -1.26 -4.96 116.55 123.71 1wwx n ASP 82 Ca -0.17 -3.69 -0.31 0.00 0.71 0.00 0.00 54.79 51.33 1wwx n ASP 82 Cb 0.53 -0.85 -0.08 0.00 -0.02 0.00 0.00 41.12 40.70 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 -3.48 2.14 -0.09 -1.24 0.52 -1.26 -5.12 118.95 110.42 1wwx s ARG 83 Ca 0.58 -2.27 -0.24 0.00 -0.52 0.00 0.00 55.73 53.28 1wwx s ARG 83 Cb 0.48 -1.62 -0.03 0.00 0.52 0.00 0.00 34.95 34.30 1wwx s ARG 83 CO 0.06 -0.28 0.74 0.50 0.02 0.00 0.00 175.30 176.34 1wwx s ARG 84 N -3.86 4.40 -1.60 3.54 3.52 -1.26 -4.11 118.95 119.58 1wwx s ARG 84 Ca 0.17 0.93 -0.15 0.00 -0.13 0.00 0.00 55.73 56.55 1wwx s ARG 84 Cb 0.04 -3.48 0.15 0.00 -1.56 0.00 0.00 34.95 30.09 1wwx s ARG 84 CO 0.09 -0.05 0.38 1.28 -0.81 0.00 0.00 175.30 176.19 1wwx n LEU 85 N 4.19 -0.78 -3.85 -0.88 4.32 -1.26 -4.86 117.00 113.88 1wwx n LEU 85 Ca 0.01 -1.13 -0.30 0.00 -0.02 0.00 0.00 56.01 54.57 1wwx n LEU 85 Cb 0.51 -1.43 -0.16 0.00 -1.62 0.00 0.00 43.42 40.72 1wwx n LEU 85 CO 0.47 0.19 -0.39 -0.69 -1.22 0.00 0.00 177.39 175.76 1wwx s VAL 86 N -3.39 1.18 0.41 4.08 1.01 -1.26 -0.30 120.40 122.14 1wwx s VAL 86 Ca 0.53 -1.13 0.08 0.00 0.00 0.00 0.00 61.98 61.45 1wwx s VAL 86 Cb -0.31 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1wwx s VAL 86 CO 0.91 -0.26 0.30 -0.31 0.00 0.00 0.00 175.10 175.74 1wwx s TYR 87 N 1.53 2.68 -0.17 5.22 1.51 0.14 -4.58 117.35 123.69 1wwx s TYR 87 Ca -0.01 -0.51 -0.12 0.00 -1.01 0.00 0.00 57.07 55.41 1wwx s TYR 87 Cb -0.18 -2.07 0.05 0.00 -0.11 0.00 0.00 41.96 39.65 1wwx s TYR 87 CO -0.10 0.01 0.42 0.21 -1.11 0.00 0.00 175.55 174.98 1wwx s LYS 88 N -4.04 0.45 0.07 -0.62 2.20 -1.26 -0.55 119.74 116.00 1wwx s LYS 88 Ca 0.45 0.69 -0.31 0.00 -0.36 0.00 0.00 55.97 56.45 1wwx s LYS 88 Cb -0.01 0.12 -0.06 0.00 -1.51 0.00 0.00 37.83 36.37 1wwx s LYS 88 CO 0.26 -0.11 1.21 -0.06 -0.36 0.00 0.00 175.35 176.30 1wwx s PHE 89 N 0.79 3.42 0.00 4.03 0.08 -1.03 0.30 117.98 125.56 1wwx s PHE 89 Ca -0.05 1.28 0.00 0.00 0.12 0.00 0.00 56.93 58.28 1wwx s PHE 89 Cb -0.05 -3.44 0.00 0.00 -0.57 0.00 0.00 43.02 38.95 1wwx s PHE 89 CO -0.06 -1.36 0.00 0.41 -0.10 0.00 0.00 175.22 174.11 1wwx n GLY 90 N 3.18 -0.18 0.10 4.36 0.00 0.37 -4.70 105.19 108.32 1wwx n GLY 90 Ca 0.09 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1wwx n GLY 90 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1wwx h LYS 91 N 0.00 0.00 -0.44 1.61 -0.00 -1.82 -3.34 116.57 112.58 1wwx h LYS 91 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.64 1wwx h LYS 91 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.21 1wwx h LYS 91 CO 0.00 0.28 0.23 -0.91 -0.00 0.00 0.00 179.45 179.05 1wwx h ASN 92 N 0.00 0.53 -3.82 7.07 -0.26 -1.83 -3.43 115.58 113.84 1wwx h ASN 92 Ca -0.15 -0.04 -0.43 0.00 -0.56 0.00 0.00 56.30 55.12 1wwx h ASN 92 Cb 1.56 -0.13 0.18 0.00 -1.06 0.00 0.00 38.32 38.86 1wwx h ASN 92 CO 0.04 0.44 0.31 0.00 -1.06 0.00 0.00 177.43 177.16 1wwx s ALA 93 N -5.40 1.58 0.29 -0.83 0.00 -1.26 -4.87 121.76 111.27 1wwx s ALA 93 Ca -0.08 -1.10 -0.20 0.00 0.00 0.00 0.00 51.96 50.58 1wwx s ALA 93 Cb 0.17 -2.82 0.05 0.00 0.00 0.00 0.00 23.12 20.52 1wwx s ALA 93 CO 0.75 -2.90 0.82 -3.38 0.00 0.00 0.00 175.76 171.04 1wwx s HIS 94 N -3.53 -0.04 0.00 0.00 -3.43 -1.26 -4.98 115.29 102.05 1wwx s HIS 94 Ca 0.73 -0.46 0.00 0.00 -0.80 0.00 0.00 55.06 54.53 1wwx s HIS 94 Cb -0.06 0.74 0.00 0.00 -1.43 0.00 0.00 32.58 31.83 1wwx s HIS 94 CO 0.54 -1.25 0.00 0.41 -2.00 0.00 0.00 174.74 172.44 1wwx n GLY 95 N -0.51 2.68 0.12 -1.38 0.00 -1.26 -4.75 105.19 100.09 1wwx n GLY 95 Ca -0.06 -0.66 -0.17 0.00 0.00 0.00 0.00 46.02 45.13 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 0.47 -1.60 1.61 5.08 -1.95 -3.46 115.95 116.10 1wwx h TRP 96 Ca 0.00 -0.26 -0.45 0.00 1.08 0.00 0.00 58.89 59.26 1wwx h TRP 96 Cb 0.00 -0.05 0.24 0.00 -3.00 0.00 0.00 29.16 26.35 1wwx h TRP 96 CO 0.00 1.09 -1.86 1.04 -1.28 0.00 0.00 178.44 177.42 1wwx n GLN 97 N -4.32 -0.81 -2.79 0.12 6.02 -1.26 -4.91 117.38 109.44 1wwx n GLN 97 Ca -0.10 -0.23 -0.36 0.00 -0.01 0.00 0.00 57.00 56.29 1wwx n GLN 97 Cb 0.62 -1.32 -0.07 0.00 1.02 0.00 0.00 30.24 30.49 1wwx n GLN 97 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1wwx s GLU 98 N -2.69 4.52 0.16 -1.09 1.03 -1.26 -5.07 118.70 114.29 1wwx s GLU 98 Ca 0.44 1.29 0.04 0.00 0.03 0.00 0.00 54.97 56.77 1wwx s GLU 98 Cb 0.00 -2.68 -0.05 0.00 -0.80 0.00 0.00 34.13 30.60 1wwx s GLU 98 CO 0.63 0.22 -0.07 0.34 -1.33 0.00 0.00 175.26 175.05 1wwx s ASP 99 N -1.72 1.70 0.33 0.83 -1.08 -1.26 -5.09 116.67 110.38 1wwx s ASP 99 Ca 0.52 -1.06 -0.14 0.00 -0.52 0.00 0.00 52.55 51.36 1wwx s ASP 99 Cb -0.17 0.01 -0.11 0.00 -1.46 0.00 0.00 42.92 41.19 1wwx s ASP 99 CO 0.22 -0.39 -0.03 0.29 0.52 0.00 0.00 175.17 175.78 1wwx n LYS 100 N -0.23 0.00 -4.01 4.34 5.02 -1.26 -4.88 118.16 117.15 1wwx n LYS 100 Ca -0.09 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.07 1wwx n LYS 100 Cb 0.61 -0.72 -0.02 0.00 -0.02 0.00 0.00 35.03 34.88 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 3.41 0.69 0.46 -0.35 1.43 -1.26 -4.41 118.68 118.66 1wwx s LEU 101 Ca 0.42 -1.35 0.07 0.00 -1.03 0.00 0.00 54.13 52.23 1wwx s LEU 101 Cb -0.40 1.87 -0.01 0.00 0.03 0.00 0.00 46.19 47.68 1wwx s LEU 101 CO 0.47 -1.39 0.31 -0.94 0.23 0.00 0.00 176.35 175.02 1wwx s SER 102 N -3.18 4.66 0.52 2.29 1.04 -1.26 -5.07 113.70 112.70 1wwx s SER 102 Ca 0.26 -1.07 -0.22 0.00 0.48 0.00 0.00 55.95 55.40 1wwx s SER 102 Cb -0.02 -0.16 -0.07 0.00 0.10 0.00 0.00 66.02 65.88 1wwx s SER 102 CO 0.17 -0.78 1.19 0.61 0.98 0.00 0.00 173.24 175.42 1wwx n GLY 103 N -1.51 0.32 0.12 7.32 0.00 -1.26 -4.94 105.19 105.24 1wwx n GLY 103 Ca -0.01 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1wwx n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wwx h PRO 104 N 1.34 0.28 -6.03 1.61 0.13 -2.07 -3.48 132.00 123.77 1wwx h PRO 104 Ca -0.49 -0.15 -0.23 0.00 -0.87 0.00 0.00 66.00 64.26 1wwx h PRO 104 Cb 1.32 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.46 1wwx h PRO 104 CO 0.56 0.68 -0.81 0.43 -0.23 0.00 0.00 178.00 178.64 1wwx n SER 105 N -4.62 -6.47 -3.47 1.44 7.64 -1.26 -5.02 113.62 101.86 1wwx n SER 105 Ca -0.07 -0.07 -0.15 0.00 1.01 0.00 0.00 58.87 59.59 1wwx n SER 105 Cb 0.34 -3.32 -0.04 0.00 -1.01 0.00 0.00 64.21 60.18 1wwx n SER 105 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wwx s SER 106 N -2.30 -0.61 0.00 6.43 0.15 -1.26 -5.31 113.70 110.80 1wwx s SER 106 Ca 0.22 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.24 1wwx s SER 106 Cb -0.04 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1wwx s SER 106 CO 0.83 -0.78 0.06 0.61 1.20 0.00 0.00 173.24 175.16