#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfy n SER 2 N 0.00 -7.95 -3.63 1.61 7.64 -1.26 -5.10 113.62 104.93 1wfy n SER 2 Ca 0.00 1.08 -0.03 0.00 1.01 0.00 0.00 58.87 60.93 1wfy n SER 2 Cb 0.00 -3.87 -0.04 0.00 -1.01 0.00 0.00 64.21 59.29 1wfy n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfy s SER 3 N -1.70 -0.08 0.00 6.43 0.15 -1.26 -5.16 113.70 112.09 1wfy s SER 3 Ca 0.00 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1wfy s SER 3 Cb 0.00 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1wfy s SER 3 CO 0.00 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1wfy n GLY 4 N 0.38 3.42 3.23 9.45 0.00 -1.26 -5.16 105.19 115.25 1wfy n GLY 4 Ca -0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 1wfy n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfy s SER 5 N 0.00 -0.20 -0.28 1.61 1.04 -1.26 -5.15 113.70 109.46 1wfy s SER 5 Ca 0.00 0.93 -0.29 0.00 0.48 0.00 0.00 55.95 57.08 1wfy s SER 5 Cb 0.00 1.31 0.19 0.00 0.10 0.00 0.00 66.02 67.62 1wfy s SER 5 CO 0.00 -0.24 1.34 -0.44 0.98 0.00 0.00 173.24 174.89 1wfy s SER 6 N 2.60 -0.07 0.00 7.02 0.01 -1.26 -5.15 113.70 116.86 1wfy s SER 6 Ca -0.01 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.33 1wfy s SER 6 Cb -0.12 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1wfy s SER 6 CO -0.13 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.08 1wfy n GLY 7 N 0.70 -0.96 3.41 3.44 0.00 -1.26 -5.13 105.19 105.39 1wfy n GLY 7 Ca -0.02 0.69 -0.45 0.00 0.00 0.00 0.00 46.02 46.24 1wfy n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wfy n ASP 8 N 0.00 -1.23 -3.49 1.61 9.92 -1.26 -4.96 116.55 117.14 1wfy n ASP 8 Ca 0.00 1.04 -0.08 0.00 -0.53 0.00 0.00 54.79 55.22 1wfy n ASP 8 Cb 0.00 -1.00 -0.01 0.00 -0.64 0.00 0.00 41.12 39.47 1wfy n ASP 8 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wfy s GLN 9 N -1.15 1.95 0.00 -1.24 1.03 -1.26 -5.18 119.66 113.82 1wfy s GLN 9 Ca 0.62 -1.20 0.00 0.00 0.04 0.00 0.00 55.36 54.83 1wfy s GLN 9 Cb -0.79 0.61 0.00 0.00 0.03 0.00 0.00 33.01 32.85 1wfy s GLN 9 CO 0.58 -0.90 0.00 -0.85 -2.54 0.00 0.00 175.29 171.58 1wfy n GLU 10 N -0.49 0.00 0.00 9.60 0.28 -1.26 -5.08 120.64 123.70 1wfy n GLU 10 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 1wfy n GLU 10 Cb 0.60 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.47 1wfy n GLU 10 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 1wfy n VAL 11 N -0.26 0.00 -3.46 3.84 0.24 -1.26 -5.01 118.33 112.42 1wfy n VAL 11 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.07 1wfy n VAL 11 Cb 0.00 -0.75 -0.12 0.00 -1.47 0.00 0.00 33.84 31.50 1wfy n VAL 11 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1wfy s ARG 12 N -1.83 0.31 -0.02 7.34 1.81 -1.26 -5.12 118.95 120.18 1wfy s ARG 12 Ca 0.00 -0.45 0.00 0.00 -1.72 0.00 0.00 55.73 53.56 1wfy s ARG 12 Cb 0.00 -0.92 0.03 0.00 -0.45 0.00 0.00 34.95 33.61 1wfy s ARG 12 CO 0.00 -1.05 0.01 -0.51 -0.68 0.00 0.00 175.30 173.06 1wfy s LEU 13 N 2.08 1.22 0.01 2.53 1.02 -1.26 -5.11 118.68 119.16 1wfy s LEU 13 Ca 0.10 -0.01 -0.30 0.00 0.02 0.00 0.00 54.13 53.94 1wfy s LEU 13 Cb -0.16 -0.17 -0.07 0.00 0.02 0.00 0.00 46.19 45.82 1wfy s LEU 13 CO -0.30 -0.10 1.64 -1.61 0.02 0.00 0.00 176.35 176.00 1wfy s GLU 14 N 0.94 4.20 0.02 1.70 2.02 -1.26 -4.38 118.70 121.94 1wfy s GLU 14 Ca -0.09 2.24 0.00 0.00 0.02 0.00 0.00 54.97 57.14 1wfy s GLU 14 Cb -0.12 -3.78 0.00 0.00 0.10 0.00 0.00 34.13 30.33 1wfy s GLU 14 CO -0.02 -0.77 0.00 0.09 0.02 0.00 0.00 175.26 174.58 1wfy n ASN 15 N 6.28 -0.18 -4.63 -0.19 4.13 -1.26 -5.12 115.26 114.29 1wfy n ASN 15 Ca 0.16 0.30 -0.62 0.00 1.68 0.00 0.00 54.58 56.10 1wfy n ASN 15 Cb 0.42 0.44 -0.08 0.00 -1.54 0.00 0.00 39.78 39.01 1wfy n ASN 15 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1wfy n ARG 16 N -2.59 0.23 -4.05 3.52 3.00 -1.26 -4.49 116.66 111.02 1wfy n ARG 16 Ca 0.00 0.09 -0.28 0.00 -0.01 0.00 0.00 57.85 57.64 1wfy n ARG 16 Cb 0.00 -1.62 -0.06 0.00 0.00 0.00 0.00 32.46 30.78 1wfy n ARG 16 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1wfy s ILE 17 N 1.56 4.58 0.13 0.55 -5.25 -1.03 -4.93 121.20 116.81 1wfy s ILE 17 Ca 0.96 -0.88 0.05 0.00 -0.99 0.00 0.00 60.65 59.80 1wfy s ILE 17 Cb -1.31 -3.27 -0.04 0.00 2.95 0.00 0.00 42.46 40.79 1wfy s ILE 17 CO 0.66 0.02 -0.13 -0.89 -1.79 0.00 0.00 174.94 172.81 1wfy s THR 18 N -1.56 1.28 0.21 8.37 2.01 -1.26 -2.06 115.64 122.63 1wfy s THR 18 Ca 0.30 -1.80 -0.16 0.00 0.31 0.00 0.00 61.69 60.34 1wfy s THR 18 Cb -0.11 -1.60 0.02 0.00 0.01 0.00 0.00 72.50 70.82 1wfy s THR 18 CO 0.23 -0.51 0.52 0.72 -0.69 0.00 0.00 174.62 174.89 1wfy s PHE 19 N -2.44 -0.01 0.27 4.92 -0.12 -0.11 -4.64 117.98 115.85 1wfy s PHE 19 Ca 0.11 -0.35 0.06 0.00 -0.05 0.00 0.00 56.93 56.69 1wfy s PHE 19 Cb -0.03 0.35 -0.02 0.00 -0.63 0.00 0.00 43.02 42.69 1wfy s PHE 19 CO 0.02 -0.94 0.37 -0.65 -0.05 0.00 0.00 175.22 173.97 1wfy s GLN 20 N -3.91 3.24 -0.02 1.99 -0.21 -1.26 0.74 119.66 120.23 1wfy s GLN 20 Ca 0.12 -0.90 0.02 0.00 0.02 0.00 0.00 55.36 54.61 1wfy s GLN 20 Cb -0.01 -2.80 0.01 0.00 1.00 0.00 0.00 33.01 31.20 1wfy s GLN 20 CO 0.00 0.30 -0.05 -1.17 -2.12 0.00 0.00 175.29 172.25 1wfy s LEU 21 N -4.02 1.71 -0.44 2.90 0.20 0.38 -2.20 118.68 117.22 1wfy s LEU 21 Ca 0.37 -0.12 -0.17 0.00 0.69 0.00 0.00 54.13 54.91 1wfy s LEU 21 Cb -0.09 -0.37 0.04 0.00 -0.43 0.00 0.00 46.19 45.34 1wfy s LEU 21 CO 0.29 0.02 0.42 -0.70 -0.29 0.00 0.00 176.35 176.09 1wfy s GLU 22 N 0.30 3.05 -1.26 1.98 2.12 0.03 -1.06 118.70 123.87 1wfy s GLU 22 Ca -0.04 -0.94 -0.17 0.00 0.36 0.00 0.00 54.97 54.18 1wfy s GLU 22 Cb -0.08 -4.02 0.10 0.00 0.26 0.00 0.00 34.13 30.39 1wfy s GLU 22 CO -0.00 -0.91 1.64 -0.51 -0.54 0.00 0.00 175.26 174.94 1wfy s LEU 23 N 2.01 4.15 0.10 2.70 1.43 -1.14 0.15 118.68 128.08 1wfy s LEU 23 Ca 0.09 -2.54 -0.31 0.00 -1.03 0.00 0.00 54.13 50.34 1wfy s LEU 23 Cb -0.19 -2.53 -0.09 0.00 0.03 0.00 0.00 46.19 43.41 1wfy s LEU 23 CO 0.11 -1.07 1.66 -0.69 0.23 0.00 0.00 176.35 176.59 1wfy s VAL 24 N 3.55 2.88 0.00 -1.59 1.01 -0.20 -3.32 120.40 122.73 1wfy s VAL 24 Ca 0.50 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1wfy s VAL 24 Cb 0.02 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1wfy s VAL 24 CO 0.05 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1wfy n GLY 25 N 3.99 1.68 0.05 4.51 0.00 -1.26 -4.29 105.19 109.87 1wfy n GLY 25 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1wfy n GLY 25 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1wfy n LEU 26 N 0.00 0.00 -0.99 0.99 -0.00 -1.21 -5.10 117.00 110.69 1wfy n LEU 26 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1wfy n LEU 26 Cb 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.43 1wfy n LEU 26 CO 0.00 -0.01 0.00 1.21 -0.00 0.00 0.00 177.39 178.59 1wfy n GLU 27 N -0.93 0.00 0.00 1.47 4.07 -1.21 -5.13 120.64 118.91 1wfy n GLU 27 Ca 0.00 0.33 0.00 0.00 -0.06 0.00 0.00 57.16 57.43 1wfy n GLU 27 Cb 0.00 -0.66 0.00 0.00 -0.06 0.00 0.00 31.44 30.72 1wfy n GLU 27 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 1wfy n ARG 28 N 0.01 0.00 -4.67 5.31 1.85 -1.26 -5.07 116.66 112.83 1wfy n ARG 28 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.62 1wfy n ARG 28 Cb 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.26 1wfy n ARG 28 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1wfy s VAL 29 N -2.00 1.16 0.21 8.89 1.01 -1.26 -2.90 120.40 125.51 1wfy s VAL 29 Ca 0.00 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 61.46 1wfy s VAL 29 Cb 0.00 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 1wfy s VAL 29 CO 0.00 0.33 -0.16 0.68 0.00 0.00 0.00 175.10 175.95 1wfy s VAL 30 N -0.15 1.87 0.02 2.92 -7.23 -0.22 -4.93 120.40 112.68 1wfy s VAL 30 Ca 0.02 -2.19 0.06 0.00 -1.81 0.00 0.00 61.98 58.05 1wfy s VAL 30 Cb -0.08 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 1wfy s VAL 30 CO 0.00 -0.52 -0.15 -0.60 -0.31 0.00 0.00 175.10 173.53 1wfy s ARG 31 N -3.47 2.23 -0.06 4.82 3.52 -1.26 0.14 118.95 124.87 1wfy s ARG 31 Ca 0.22 -0.89 0.02 0.00 -0.13 0.00 0.00 55.73 54.95 1wfy s ARG 31 Cb -0.02 -2.28 0.02 0.00 -1.56 0.00 0.00 34.95 31.11 1wfy s ARG 31 CO 0.08 0.56 -0.09 0.42 -0.81 0.00 0.00 175.30 175.46 1wfy s ILE 32 N -0.92 0.91 -0.07 4.11 1.01 0.23 -4.94 121.20 121.53 1wfy s ILE 32 Ca 0.15 -0.34 0.06 0.00 0.00 0.00 0.00 60.65 60.51 1wfy s ILE 32 Cb -0.11 -0.86 -0.01 0.00 0.01 0.00 0.00 42.46 41.49 1wfy s ILE 32 CO 0.05 0.31 -0.24 -0.94 0.00 0.00 0.00 174.94 174.12 1wfy s SER 33 N 0.77 3.14 -0.24 3.58 1.04 -1.26 -0.93 113.70 119.80 1wfy s SER 33 Ca -0.13 -0.50 -0.32 0.00 0.48 0.00 0.00 55.95 55.48 1wfy s SER 33 Cb -0.15 -0.94 0.16 0.00 0.10 0.00 0.00 66.02 65.19 1wfy s SER 33 CO 0.02 0.23 1.26 0.00 0.98 0.00 0.00 173.24 175.74 1wfy s ALA 34 N -0.10 -2.09 0.61 5.32 0.00 -0.87 -5.03 121.76 119.59 1wfy s ALA 34 Ca -0.05 1.76 -0.18 0.00 0.00 0.00 0.00 51.96 53.49 1wfy s ALA 34 Cb -0.14 -0.83 -0.08 0.00 0.00 0.00 0.00 23.12 22.07 1wfy s ALA 34 CO 0.04 -0.40 0.47 0.36 0.00 0.00 0.00 175.76 176.24 1wfy n LYS 35 N 0.29 0.43 0.08 0.00 0.00 -1.26 -2.45 118.16 115.25 1wfy n LYS 35 Ca -0.01 0.17 -0.06 0.00 -0.00 0.00 0.00 58.31 58.42 1wfy n LYS 35 Cb 0.58 -1.68 -0.04 0.00 -0.00 0.00 0.00 35.03 33.89 1wfy n LYS 35 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1wfy h PRO 36 N 0.07 -0.29 -0.91 -1.58 0.13 -1.87 -3.31 132.00 124.23 1wfy h PRO 36 Ca -0.45 0.02 0.22 0.00 -0.87 0.00 0.00 66.00 64.92 1wfy h PRO 36 Cb 1.39 0.07 -0.17 0.00 0.13 0.00 0.00 31.00 32.41 1wfy h PRO 36 CO 0.45 -0.11 -0.09 0.25 -0.23 0.00 0.00 178.00 178.27 1wfy n THR 37 N -4.98 -0.38 -0.82 1.56 -2.24 -1.26 -3.11 114.28 103.05 1wfy n THR 37 Ca -0.05 2.05 -0.35 0.00 -2.27 0.00 0.00 64.05 63.43 1wfy n THR 37 Cb 0.16 -2.92 0.11 0.00 -2.10 0.00 0.00 70.33 65.58 1wfy n THR 37 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1wfy n LYS 38 N -5.41 -0.80 -1.22 -0.78 4.81 -1.25 -4.66 118.16 108.86 1wfy n LYS 38 Ca 0.19 -0.22 -0.06 0.00 -0.87 0.00 0.00 58.31 57.34 1wfy n LYS 38 Cb 0.60 -1.46 0.03 0.00 0.02 0.00 0.00 35.03 34.22 1wfy n LYS 38 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1wfy n ARG 39 N -0.27 0.47 0.09 1.64 1.74 -1.26 -2.49 116.66 116.57 1wfy n ARG 39 Ca 0.01 -0.78 0.04 0.00 -0.77 0.00 0.00 57.85 56.35 1wfy n ARG 39 Cb 0.64 -0.17 -0.01 0.00 -1.02 0.00 0.00 32.46 31.90 1wfy n ARG 39 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1wfy h LEU 40 N 0.00 0.00 0.18 0.55 3.38 0.19 -2.58 115.31 117.02 1wfy h LEU 40 Ca -0.09 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.53 1wfy h LEU 40 Cb 0.35 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.10 1wfy h LEU 40 CO 0.10 0.37 -1.75 0.06 0.09 0.00 0.00 178.44 177.31 1wfy h GLN 41 N 0.00 0.38 0.00 1.13 3.07 -1.84 -2.35 115.11 115.50 1wfy h GLN 41 Ca -0.07 -0.64 -0.03 0.00 0.09 0.00 0.00 58.65 57.99 1wfy h GLN 41 Cb 1.34 0.24 -0.00 0.00 0.08 0.00 0.00 27.48 29.14 1wfy h GLN 41 CO 0.04 1.30 -0.15 0.93 0.09 0.00 0.00 178.83 181.03 1wfy h GLU 42 N 0.10 0.00 0.00 0.06 4.39 -1.88 0.68 114.58 117.93 1wfy h GLU 42 Ca -0.34 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.24 1wfy h GLU 42 Cb 2.09 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.72 1wfy h GLU 42 CO 0.17 0.15 -1.19 0.00 -1.16 0.00 0.00 179.01 176.98 1wfy h ALA 43 N 1.85 0.62 0.00 3.43 0.00 -1.56 -3.32 119.26 120.29 1wfy h ALA 43 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1wfy h ALA 43 Cb 0.91 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1wfy h ALA 43 CO 0.02 0.64 -1.53 1.28 0.00 0.00 0.00 179.25 179.66 1wfy n LEU 44 N -2.87 0.38 -0.13 0.00 7.99 -0.88 -4.27 117.00 117.21 1wfy n LEU 44 Ca -0.06 0.02 -0.04 0.00 -0.01 0.00 0.00 56.01 55.92 1wfy n LEU 44 Cb 0.75 -0.03 0.04 0.00 -0.11 0.00 0.00 43.42 44.07 1wfy n LEU 44 CO 0.42 -0.01 0.88 1.56 -1.51 0.00 0.00 177.39 178.73 1wfy h GLN 45 N 0.00 0.16 0.00 3.23 1.08 0.27 1.95 115.11 121.79 1wfy h GLN 45 Ca 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1wfy h GLN 45 Cb 0.91 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.30 1wfy h GLN 45 CO 0.00 0.10 0.00 -0.35 -0.95 0.00 0.00 178.83 177.63 1wfy n PRO 46 N -5.15 0.40 -0.13 1.46 -0.04 -1.26 -0.78 135.00 129.50 1wfy n PRO 46 Ca 0.03 0.06 -0.28 0.00 -0.04 0.00 0.00 63.50 63.27 1wfy n PRO 46 Cb 0.21 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.08 1wfy n PRO 46 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1wfy n ILE 47 N -1.23 1.45 0.13 0.52 2.08 0.11 -3.73 119.36 118.68 1wfy n ILE 47 Ca 0.12 -0.38 -0.00 0.00 0.56 0.00 0.00 62.75 63.05 1wfy n ILE 47 Cb 0.16 -1.84 0.28 0.00 -0.75 0.00 0.00 39.64 37.48 1wfy n ILE 47 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1wfy h LEU 48 N -0.92 0.15 -0.86 1.39 3.38 0.29 0.15 115.31 118.89 1wfy h LEU 48 Ca -0.67 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.14 1wfy h LEU 48 Cb 1.60 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1wfy h LEU 48 CO -0.40 0.53 -0.49 0.00 0.09 0.00 0.00 178.44 178.17 1wfy h ALA 49 N 1.48 1.00 -0.08 1.53 0.00 -1.12 1.47 119.26 123.53 1wfy h ALA 49 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1wfy h ALA 49 Cb 0.75 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1wfy h ALA 49 CO 0.06 0.62 0.00 1.17 0.00 0.00 0.00 179.25 181.09 1wfy n LYS 50 N -3.68 2.12 0.00 0.00 4.81 -0.79 -3.79 118.16 116.83 1wfy n LYS 50 Ca -0.01 -1.65 0.00 0.00 -0.87 0.00 0.00 58.31 55.79 1wfy n LYS 50 Cb 0.56 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 34.14 1wfy n LYS 50 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1wfy n HIS 51 N 0.96 0.00 -1.42 5.64 8.25 0.47 -4.96 115.22 124.16 1wfy n HIS 51 Ca 0.16 -0.42 -0.14 0.00 -0.26 0.00 0.00 57.72 57.06 1wfy n HIS 51 Cb 0.51 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 31.52 1wfy n HIS 51 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wfy n GLY 52 N -0.42 1.41 1.40 -1.41 0.00 0.11 -4.96 105.19 101.32 1wfy n GLY 52 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 1wfy n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wfy n LEU 53 N -1.64 0.00 -3.89 0.99 4.77 0.48 -4.99 117.00 112.71 1wfy n LEU 53 Ca -0.14 -0.80 -0.09 0.00 -0.03 0.00 0.00 56.01 54.94 1wfy n LEU 53 Cb 0.59 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 1wfy n LEU 53 CO 0.22 -0.65 0.09 -0.44 -1.33 0.00 0.00 177.39 175.29 1wfy s SER 54 N -2.41 -0.07 0.27 -1.43 0.01 -1.26 -4.30 113.70 104.50 1wfy s SER 54 Ca 0.23 -0.75 0.25 0.00 1.31 0.00 0.00 55.95 56.99 1wfy s SER 54 Cb -0.01 0.50 0.57 0.00 0.21 0.00 0.00 66.02 67.28 1wfy s SER 54 CO 0.15 -0.97 1.63 -0.07 0.41 0.00 0.00 173.24 174.39 1wfy h LEU 55 N 2.40 0.00 -3.91 2.44 3.38 -1.97 -2.96 115.31 114.69 1wfy h LEU 55 Ca -0.30 -0.03 -0.50 0.00 0.09 0.00 0.00 57.88 57.15 1wfy h LEU 55 Cb 1.24 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.71 1wfy h LEU 55 CO 0.43 0.01 0.57 -0.67 0.09 0.00 0.00 178.44 178.88 1wfy n ASP 56 N -2.52 4.07 0.11 -0.43 -0.08 -1.26 -4.50 116.55 111.94 1wfy n ASP 56 Ca 0.05 -3.66 0.00 0.00 -1.51 0.00 0.00 54.79 49.67 1wfy n ASP 56 Cb 0.47 -0.82 0.00 0.00 2.34 0.00 0.00 41.12 43.10 1wfy n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wfy n GLN 57 N -1.11 0.00 -2.10 -0.67 1.13 -1.19 -5.10 117.38 108.34 1wfy n GLN 57 Ca 0.57 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 55.27 1wfy n GLN 57 Cb 1.47 -0.01 0.02 0.00 0.11 0.00 0.00 30.24 31.83 1wfy n GLN 57 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1wfy s VAL 58 N -1.73 2.80 -0.27 5.09 -7.23 -1.13 -4.64 120.40 113.29 1wfy s VAL 58 Ca 0.00 0.51 0.01 0.00 -1.81 0.00 0.00 61.98 60.69 1wfy s VAL 58 Cb 0.00 -3.21 0.08 0.00 0.56 0.00 0.00 36.38 33.81 1wfy s VAL 58 CO 0.00 -0.10 0.01 -0.69 -0.31 0.00 0.00 175.10 174.02 1wfy s VAL 59 N -1.63 1.44 0.10 1.32 1.01 -1.26 -4.90 120.40 116.49 1wfy s VAL 59 Ca 0.75 -1.46 -0.22 0.00 0.00 0.00 0.00 61.98 61.06 1wfy s VAL 59 Cb -0.29 -1.89 -0.07 0.00 0.00 0.00 0.00 36.38 34.13 1wfy s VAL 59 CO 0.32 -0.36 0.65 -0.22 0.00 0.00 0.00 175.10 175.48 1wfy s LEU 60 N 1.38 4.55 -0.30 3.92 1.98 -1.26 -2.52 118.68 126.43 1wfy s LEU 60 Ca 0.02 1.40 -0.15 0.00 -2.89 0.00 0.00 54.13 52.51 1wfy s LEU 60 Cb -0.18 -3.05 0.18 0.00 0.66 0.00 0.00 46.19 43.80 1wfy s LEU 60 CO -0.12 0.24 1.10 -1.38 -1.89 0.00 0.00 176.35 174.31 1wfy s HIS 61 N -1.09 -0.43 0.91 5.38 -3.43 -0.96 0.08 115.29 115.75 1wfy s HIS 61 Ca 0.32 0.60 -0.15 0.00 -0.80 0.00 0.00 55.06 55.03 1wfy s HIS 61 Cb -0.21 0.20 -0.05 0.00 -1.43 0.00 0.00 32.58 31.10 1wfy s HIS 61 CO 0.22 -0.23 -0.02 0.54 -2.00 0.00 0.00 174.74 173.25 1wfy n ARG 62 N 5.11 -0.09 -2.30 -0.38 1.74 -1.26 -3.41 116.66 116.06 1wfy n ARG 62 Ca -0.08 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.62 1wfy n ARG 62 Cb 0.54 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 30.43 1wfy n ARG 62 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1wfy s PRO 63 N -2.81 2.94 0.00 5.56 0.04 -1.26 -3.13 135.00 136.35 1wfy s PRO 63 Ca 0.52 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.59 1wfy s PRO 63 Cb -0.24 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 29.88 1wfy s PRO 63 CO 0.71 -2.49 0.00 0.41 0.04 0.00 0.00 177.00 175.68 1wfy n GLY 64 N 5.75 1.09 0.83 0.56 0.00 -1.26 -5.05 105.19 107.10 1wfy n GLY 64 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1wfy n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wfy n GLU 65 N 0.00 0.00 0.00 1.61 -0.58 -1.18 -5.03 120.64 115.45 1wfy n GLU 65 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1wfy n GLU 65 Cb 0.00 -0.54 0.00 0.00 -0.57 0.00 0.00 31.44 30.33 1wfy n GLU 65 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1wfy n LYS 66 N -2.66 0.00 -2.12 3.49 0.00 -1.26 -4.95 118.16 110.66 1wfy n LYS 66 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 58.01 1wfy n LYS 66 Cb 0.37 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.41 1wfy n LYS 66 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1wfy s GLN 67 N 0.00 3.57 0.18 1.64 -2.07 -1.26 -5.03 119.66 116.69 1wfy s GLN 67 Ca 0.00 0.57 -0.30 0.00 -1.82 0.00 0.00 55.36 53.81 1wfy s GLN 67 Cb 0.00 -2.17 -0.08 0.00 -1.09 0.00 0.00 33.01 29.67 1wfy s GLN 67 CO 0.00 -0.46 1.12 -1.25 -1.32 0.00 0.00 175.29 173.38 1wfy s PRO 68 N -5.04 4.58 0.80 9.60 0.04 -1.26 -4.73 135.00 138.99 1wfy s PRO 68 Ca 0.53 1.75 -0.12 0.00 0.04 0.00 0.00 61.00 63.20 1wfy s PRO 68 Cb -0.11 -3.27 0.07 0.00 0.04 0.00 0.00 34.50 31.24 1wfy s PRO 68 CO 0.51 0.05 1.13 -1.64 0.04 0.00 0.00 177.00 177.10 1wfy s MET 69 N -0.41 2.07 -0.29 4.56 -1.94 0.11 -4.99 119.30 118.41 1wfy s MET 69 Ca 0.50 0.34 -0.14 0.00 -1.71 0.00 0.00 55.69 54.68 1wfy s MET 69 Cb -0.30 -1.94 -0.04 0.00 2.01 0.00 0.00 34.83 34.56 1wfy s MET 69 CO 0.36 -1.57 0.31 0.34 -0.01 0.00 0.00 175.02 174.45 1wfy s ASP 70 N -4.28 6.16 0.42 3.03 -1.08 -1.26 -4.81 116.67 114.84 1wfy s ASP 70 Ca 0.61 0.06 0.18 0.00 -0.52 0.00 0.00 52.55 52.88 1wfy s ASP 70 Cb -0.12 -2.18 0.92 0.00 -1.46 0.00 0.00 42.92 40.08 1wfy s ASP 70 CO 0.52 -0.18 1.88 -0.07 0.52 0.00 0.00 175.17 177.84 1wfy h LEU 71 N 8.56 0.00 -1.59 -1.34 3.38 -1.95 -2.46 115.31 119.91 1wfy h LEU 71 Ca -0.32 0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.76 1wfy h LEU 71 Cb 1.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1wfy h LEU 71 CO 0.62 0.29 0.64 -0.33 0.09 0.00 0.00 178.44 179.76 1wfy h GLU 72 N 0.00 0.00 -7.04 1.13 4.39 -1.95 0.62 114.58 111.73 1wfy h GLU 72 Ca -0.00 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.20 1wfy h GLU 72 Cb 0.60 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 29.31 1wfy h GLU 72 CO 0.04 0.00 0.44 -0.80 -1.16 0.00 0.00 179.01 177.53 1wfy s ASN 73 N -4.46 6.10 0.12 1.42 0.01 -0.93 -4.67 114.94 112.54 1wfy s ASN 73 Ca -0.03 2.17 -0.30 0.00 -0.71 0.00 0.00 52.86 53.99 1wfy s ASN 73 Cb 0.12 -2.59 -0.07 0.00 0.41 0.00 0.00 41.25 39.13 1wfy s ASN 73 CO 0.41 -0.96 1.14 -2.16 -1.51 0.00 0.00 177.10 174.02 1wfy s PRO 74 N -2.97 4.52 0.59 -0.60 0.04 -1.26 -1.08 135.00 134.24 1wfy s PRO 74 Ca 0.67 1.73 0.29 0.00 0.04 0.00 0.00 61.00 63.74 1wfy s PRO 74 Cb -0.24 -3.31 1.28 0.00 0.04 0.00 0.00 34.50 32.27 1wfy s PRO 74 CO 0.29 -0.07 1.65 -0.39 0.04 0.00 0.00 177.00 178.51 1wfy h VAL 75 N 4.09 0.20 -1.02 -0.36 -1.51 -1.42 0.54 116.25 116.76 1wfy h VAL 75 Ca -0.43 0.00 0.30 0.00 -1.23 0.00 0.00 66.70 65.34 1wfy h VAL 75 Cb 1.21 0.34 -0.04 0.00 -2.13 0.00 0.00 31.29 30.68 1wfy h VAL 75 CO 0.76 0.00 0.87 -1.28 -1.23 0.00 0.00 177.57 176.69 1wfy h SER 76 N 0.00 0.00 0.23 4.19 0.87 -1.80 1.02 113.55 118.06 1wfy h SER 76 Ca 0.37 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.60 1wfy h SER 76 Cb 2.02 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 64.01 1wfy h SER 76 CO -0.00 0.00 -1.52 0.28 -0.53 0.00 0.00 176.83 175.06 1wfy h SER 77 N 0.00 0.77 -0.55 6.23 0.02 -0.25 -3.29 113.55 116.49 1wfy h SER 77 Ca 0.49 -0.93 -0.37 0.00 -0.84 0.00 0.00 61.79 60.14 1wfy h SER 77 Cb 2.23 -0.25 -0.16 0.00 0.14 0.00 0.00 62.40 64.36 1wfy h SER 77 CO -0.01 1.72 0.48 1.33 -1.14 0.00 0.00 176.83 179.21 1wfy n VAL 78 N -3.71 2.89 -2.39 2.27 0.24 0.34 -4.23 118.33 113.73 1wfy n VAL 78 Ca -0.19 -1.82 -0.21 0.00 -2.04 0.00 0.00 64.34 60.09 1wfy n VAL 78 Cb 1.08 -1.31 0.02 0.00 -1.47 0.00 0.00 33.84 32.16 1wfy n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wfy n ALA 79 N 0.17 4.55 0.16 2.33 0.00 -0.60 -4.54 120.51 122.58 1wfy n ALA 79 Ca 0.34 -3.82 0.00 0.00 0.00 0.00 0.00 53.44 49.97 1wfy n ALA 79 Cb 0.59 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1wfy n ALA 79 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wfy n SER 80 N -0.51 -2.01 -4.93 0.00 2.88 -1.26 -4.89 113.62 102.90 1wfy n SER 80 Ca 0.33 0.59 -0.25 0.00 -1.33 0.00 0.00 58.87 58.21 1wfy n SER 80 Cb 0.80 2.00 -0.02 0.00 -0.75 0.00 0.00 64.21 66.24 1wfy n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wfy s GLN 81 N -1.78 3.51 0.08 -1.46 0.00 -1.26 -5.02 119.66 113.74 1wfy s GLN 81 Ca 0.00 -0.28 -0.30 0.00 -0.00 0.00 0.00 55.36 54.78 1wfy s GLN 81 Cb 0.00 -2.68 -0.06 0.00 0.00 0.00 0.00 33.01 30.27 1wfy s GLN 81 CO 0.00 0.19 1.18 0.99 0.00 0.00 0.00 175.29 177.64 1wfy s THR 82 N -2.23 4.00 0.72 3.63 2.01 -1.26 -4.68 115.64 117.82 1wfy s THR 82 Ca 0.40 1.49 -0.07 0.00 0.31 0.00 0.00 61.69 63.82 1wfy s THR 82 Cb -0.10 -3.95 0.06 0.00 0.01 0.00 0.00 72.50 68.52 1wfy s THR 82 CO 0.34 0.14 1.03 -0.76 -0.69 0.00 0.00 174.62 174.69 1wfy s LEU 83 N 0.77 2.78 -0.06 4.42 1.43 -0.93 -4.14 118.68 122.94 1wfy s LEU 83 Ca 0.57 0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 54.16 1wfy s LEU 83 Cb -0.29 -3.13 0.03 0.00 0.03 0.00 0.00 46.19 42.82 1wfy s LEU 83 CO 0.30 -1.63 -0.01 -0.69 0.23 0.00 0.00 176.35 174.56 1wfy s VAL 84 N -3.28 0.42 -0.14 -1.59 1.01 -1.22 -0.79 120.40 114.80 1wfy s VAL 84 Ca 0.60 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 1wfy s VAL 84 Cb -0.11 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 1wfy s VAL 84 CO 0.45 0.25 -0.01 -0.22 0.00 0.00 0.00 175.10 175.57 1wfy s LEU 85 N 1.67 3.43 -0.77 3.92 0.20 0.41 -2.26 118.68 125.28 1wfy s LEU 85 Ca 0.01 -0.03 0.02 0.00 0.69 0.00 0.00 54.13 54.82 1wfy s LEU 85 Cb -0.13 -1.83 0.33 0.00 -0.43 0.00 0.00 46.19 44.13 1wfy s LEU 85 CO -0.04 0.22 1.28 -0.67 -0.29 0.00 0.00 176.35 176.85 1wfy n ASP 86 N 3.21 5.58 -4.25 3.68 -0.08 -1.05 -1.03 116.55 122.60 1wfy n ASP 86 Ca -0.17 -3.66 -0.36 0.00 -1.51 0.00 0.00 54.79 49.08 1wfy n ASP 86 Cb 0.53 -0.82 0.06 0.00 2.34 0.00 0.00 41.12 43.23 1wfy n ASP 86 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1wfy n THR 87 N -0.04 0.48 -1.53 5.18 -2.24 -1.26 -4.38 114.28 110.49 1wfy n THR 87 Ca 0.36 -0.41 -0.29 0.00 -2.27 0.00 0.00 64.05 61.44 1wfy n THR 87 Cb 0.34 -0.33 0.17 0.00 -2.10 0.00 0.00 70.33 68.41 1wfy n THR 87 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1wfy s PRO 88 N -2.37 0.56 0.32 -0.78 0.04 -1.26 -5.01 135.00 126.50 1wfy s PRO 88 Ca 0.53 0.06 -0.27 0.00 0.04 0.00 0.00 61.00 61.36 1wfy s PRO 88 Cb -0.29 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 1wfy s PRO 88 CO 0.70 -2.55 1.07 -1.25 0.04 0.00 0.00 177.00 175.01 1wfy s PRO 89 N -5.44 4.48 -0.08 0.56 0.04 -1.26 -4.56 135.00 128.73 1wfy s PRO 89 Ca 0.67 1.68 -0.04 0.00 0.04 0.00 0.00 61.00 63.35 1wfy s PRO 89 Cb -0.11 -2.96 0.01 0.00 0.04 0.00 0.00 34.50 31.48 1wfy s PRO 89 CO 0.54 0.10 0.08 -3.47 0.04 0.00 0.00 177.00 174.28 1wfy n ASP 90 N 0.74 -1.96 -2.68 6.66 -0.08 -1.26 -5.08 116.55 112.89 1wfy n ASP 90 Ca 0.01 0.53 0.00 0.00 -1.51 0.00 0.00 54.79 53.82 1wfy n ASP 90 Cb 0.47 -2.66 0.02 0.00 2.34 0.00 0.00 41.12 41.29 1wfy n ASP 90 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wfy s ALA 91 N -0.34 -4.80 0.02 -1.67 0.00 -1.26 -5.08 121.76 108.63 1wfy s ALA 91 Ca -0.09 1.19 -0.00 0.00 0.00 0.00 0.00 51.96 53.06 1wfy s ALA 91 Cb 0.01 -3.05 -0.00 0.00 0.00 0.00 0.00 23.12 20.08 1wfy s ALA 91 CO 0.31 -2.55 -0.01 1.63 0.00 0.00 0.00 175.76 175.14 1wfy n LYS 92 N 3.20 0.01 -2.66 0.00 5.02 -1.26 -5.11 118.16 117.36 1wfy n LYS 92 Ca 0.07 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.34 1wfy n LYS 92 Cb 0.65 -0.15 -0.02 0.00 -0.02 0.00 0.00 35.03 35.49 1wfy n LYS 92 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1wfy n MET 93 N -2.73 -3.85 -3.59 1.97 2.81 -1.26 -5.07 117.12 105.40 1wfy n MET 93 Ca -0.00 3.01 0.01 0.00 -1.81 0.00 0.00 57.70 58.91 1wfy n MET 93 Cb 0.01 -5.25 -0.01 0.00 -0.71 0.00 0.00 33.22 27.27 1wfy n MET 93 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1wfy s SER 94 N -1.29 -0.01 0.95 7.83 1.04 -1.26 -5.15 113.70 115.81 1wfy s SER 94 Ca -0.10 -0.01 -0.17 0.00 0.48 0.00 0.00 55.95 56.15 1wfy s SER 94 Cb 0.01 0.02 -0.15 0.00 0.10 0.00 0.00 66.02 65.99 1wfy s SER 94 CO 0.78 -0.03 -0.73 1.21 0.98 0.00 0.00 173.24 175.45 1wfy n GLU 95 N -0.31 -0.00 -1.38 4.02 0.00 -1.26 -4.70 120.64 117.00 1wfy n GLU 95 Ca -0.04 -0.00 -0.44 0.00 0.00 0.00 0.00 57.16 56.68 1wfy n GLU 95 Cb 0.61 -1.01 -0.01 0.00 0.00 0.00 0.00 31.44 31.03 1wfy n GLU 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1wfy n ALA 96 N -2.42 -2.47 -2.67 4.31 0.00 -1.26 -4.94 120.51 111.07 1wfy n ALA 96 Ca -0.01 0.23 -0.01 0.00 0.00 0.00 0.00 53.44 53.65 1wfy n ALA 96 Cb 0.55 -1.61 0.03 0.00 0.00 0.00 0.00 19.45 18.42 1wfy n ALA 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1wfy s ARG 97 N -1.17 0.07 -0.30 0.00 3.52 -1.26 -5.06 118.95 114.75 1wfy s ARG 97 Ca 0.61 -0.05 -0.03 0.00 -0.13 0.00 0.00 55.73 56.13 1wfy s ARG 97 Cb -0.71 0.00 0.00 0.00 -1.56 0.00 0.00 34.95 32.68 1wfy s ARG 97 CO 0.60 -0.09 0.10 0.45 -0.81 0.00 0.00 175.30 175.55 1wfy n SER 98 N 2.90 -7.87 -4.72 -2.12 2.88 -1.26 -4.89 113.62 98.53 1wfy n SER 98 Ca 0.08 1.19 -0.39 0.00 -1.33 0.00 0.00 58.87 58.42 1wfy n SER 98 Cb 0.66 -4.97 0.03 0.00 -0.75 0.00 0.00 64.21 59.18 1wfy n SER 98 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wfy n SER 99 N 0.59 2.63 -3.88 -3.46 3.41 -1.26 -5.02 113.62 106.63 1wfy n SER 99 Ca 0.02 1.03 -0.11 0.00 -0.26 0.00 0.00 58.87 59.55 1wfy n SER 99 Cb 0.13 -1.55 -0.09 0.00 -0.26 0.00 0.00 64.21 62.44 1wfy n SER 99 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wfy s GLY 100 N -0.74 0.08 0.81 5.00 0.00 -1.26 -5.16 107.32 106.04 1wfy s GLY 100 Ca 0.67 -0.28 -0.12 0.00 0.00 0.00 0.00 44.72 44.99 1wfy s GLY 100 CO 0.53 -0.43 1.10 2.56 0.00 0.00 0.00 173.10 176.86 1wfy s PRO 101 N -1.98 2.02 -0.29 2.90 0.04 -1.26 -5.08 135.00 131.35 1wfy s PRO 101 Ca -0.10 0.62 -0.17 0.00 0.04 0.00 0.00 61.00 61.39 1wfy s PRO 101 Cb -0.04 -1.91 0.12 0.00 0.04 0.00 0.00 34.50 32.71 1wfy s PRO 101 CO -0.01 -1.66 0.90 0.45 0.04 0.00 0.00 177.00 176.72 1wfy s SER 102 N -3.91 -0.62 -0.12 6.66 0.15 -1.26 -5.11 113.70 109.48 1wfy s SER 102 Ca 0.61 1.01 -0.12 0.00 0.70 0.00 0.00 55.95 58.15 1wfy s SER 102 Cb -0.14 1.23 0.03 0.00 -1.71 0.00 0.00 66.02 65.43 1wfy s SER 102 CO 0.54 -0.16 0.33 -0.44 1.20 0.00 0.00 173.24 174.71 1wfy s SER 103 N 1.30 -0.34 0.00 5.45 0.01 -1.26 -5.27 113.70 113.59 1wfy s SER 103 Ca -0.08 0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.83 1wfy s SER 103 Cb -0.04 0.67 0.00 0.00 0.21 0.00 0.00 66.02 66.86 1wfy s SER 103 CO -0.15 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 173.98