#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfy s SER 2 N 0.00 -0.26 0.07 1.61 1.04 -1.26 -5.19 113.70 109.71 1wfy s SER 2 Ca 0.00 0.22 -0.28 0.00 0.48 0.00 0.00 55.95 56.37 1wfy s SER 2 Cb 0.00 0.22 0.09 0.00 0.10 0.00 0.00 66.02 66.43 1wfy s SER 2 CO 0.00 -0.28 1.10 -0.94 0.98 0.00 0.00 173.24 174.09 1wfy s SER 3 N -1.39 -0.14 0.08 7.02 1.04 -1.26 -5.19 113.70 113.86 1wfy s SER 3 Ca 0.03 -0.26 -0.24 0.00 0.48 0.00 0.00 55.95 55.95 1wfy s SER 3 Cb -0.01 0.34 0.08 0.00 0.10 0.00 0.00 66.02 66.54 1wfy s SER 3 CO -0.03 -0.63 1.12 0.61 0.98 0.00 0.00 173.24 175.30 1wfy n GLY 4 N -0.45 0.42 0.00 7.32 0.00 -1.26 -5.09 105.19 106.12 1wfy n GLY 4 Ca -0.07 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1wfy n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfy n SER 5 N -1.16 0.00 -4.29 1.61 7.64 -1.26 -5.18 113.62 110.97 1wfy n SER 5 Ca 0.01 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.73 1wfy n SER 5 Cb 0.56 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.66 1wfy n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wfy s SER 6 N 0.00 2.12 0.00 6.43 1.04 -1.26 -5.12 113.70 116.91 1wfy s SER 6 Ca 0.00 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1wfy s SER 6 Cb 0.00 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.06 1wfy s SER 6 CO 0.00 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.55 1wfy n GLY 7 N -0.29 -0.17 3.57 7.32 0.00 -1.26 -5.02 105.19 109.33 1wfy n GLY 7 Ca -0.09 -1.21 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 1wfy n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wfy s ASP 8 N -4.00 5.84 0.29 1.61 1.11 -1.26 -4.91 116.67 115.35 1wfy s ASP 8 Ca 0.00 -1.38 0.05 0.00 0.18 0.00 0.00 52.55 51.41 1wfy s ASP 8 Cb 0.00 -2.57 -0.06 0.00 1.07 0.00 0.00 42.92 41.36 1wfy s ASP 8 CO 0.00 -2.14 -0.02 -1.10 1.18 0.00 0.00 175.17 173.09 1wfy s GLN 9 N 5.81 1.55 0.07 8.23 -1.52 -1.26 -5.16 119.66 127.38 1wfy s GLN 9 Ca 0.59 -1.81 0.04 0.00 -1.95 0.00 0.00 55.36 52.23 1wfy s GLN 9 Cb -0.02 -1.02 -0.03 0.00 -0.22 0.00 0.00 33.01 31.72 1wfy s GLN 9 CO -0.00 -0.04 -0.10 -1.21 -0.25 0.00 0.00 175.29 173.69 1wfy s GLU 10 N -3.79 0.72 1.09 2.91 2.02 -1.26 -5.14 118.70 115.26 1wfy s GLU 10 Ca 0.31 -0.96 -0.13 0.00 0.02 0.00 0.00 54.97 54.21 1wfy s GLU 10 Cb 0.05 -0.52 0.21 0.00 0.10 0.00 0.00 34.13 33.97 1wfy s GLU 10 CO 0.12 0.10 0.84 1.33 0.02 0.00 0.00 175.26 177.67 1wfy n VAL 11 N 1.07 0.00 -2.63 2.63 0.24 -1.26 -4.54 118.33 113.84 1wfy n VAL 11 Ca -0.20 -0.30 -0.03 0.00 -2.04 0.00 0.00 64.34 61.77 1wfy n VAL 11 Cb 0.56 -0.91 -0.03 0.00 -1.47 0.00 0.00 33.84 31.99 1wfy n VAL 11 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1wfy n ARG 12 N -4.11 -3.74 0.12 7.34 1.74 -1.26 -5.02 116.66 111.74 1wfy n ARG 12 Ca 0.05 2.84 0.00 0.00 -0.77 0.00 0.00 57.85 59.97 1wfy n ARG 12 Cb 0.55 -3.83 0.00 0.00 -1.02 0.00 0.00 32.46 28.16 1wfy n ARG 12 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1wfy n LEU 13 N 1.95 -1.10 0.00 0.55 7.94 -1.26 -5.17 117.00 119.91 1wfy n LEU 13 Ca -0.24 0.45 0.00 0.00 -1.11 0.00 0.00 56.01 55.10 1wfy n LEU 13 Cb 0.38 1.18 0.00 0.00 0.53 0.00 0.00 43.42 45.51 1wfy n LEU 13 CO 0.23 -0.45 0.00 1.21 -1.11 0.00 0.00 177.39 177.27 1wfy n GLU 14 N -3.18 -3.14 -1.48 1.96 2.13 -1.26 -5.17 120.64 110.49 1wfy n GLU 14 Ca 0.00 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.95 1wfy n GLU 14 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 1wfy n GLU 14 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1wfy n ASN 15 N 0.00 -8.02 -3.67 4.31 4.13 -1.26 -4.69 115.26 106.06 1wfy n ASN 15 Ca 0.00 1.59 -0.08 0.00 1.68 0.00 0.00 54.58 57.77 1wfy n ASN 15 Cb 0.00 -5.03 -0.09 0.00 -1.54 0.00 0.00 39.78 33.13 1wfy n ASN 15 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1wfy s ARG 16 N -4.62 0.46 0.12 3.52 3.00 -1.26 -4.42 118.95 115.76 1wfy s ARG 16 Ca 0.00 1.03 0.05 0.00 0.00 0.00 0.00 55.73 56.81 1wfy s ARG 16 Cb 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 34.95 35.13 1wfy s ARG 16 CO 0.00 -0.19 0.07 0.96 0.00 0.00 0.00 175.30 176.15 1wfy s ILE 17 N 1.97 4.31 0.11 1.52 -5.25 -0.98 -4.94 121.20 117.94 1wfy s ILE 17 Ca -0.07 -1.01 0.04 0.00 -0.99 0.00 0.00 60.65 58.62 1wfy s ILE 17 Cb -0.09 -3.13 -0.04 0.00 2.95 0.00 0.00 42.46 42.15 1wfy s ILE 17 CO -0.15 0.01 -0.11 -0.89 -1.79 0.00 0.00 174.94 172.01 1wfy s THR 18 N -1.54 1.04 0.17 8.37 2.01 -1.26 -2.07 115.64 122.35 1wfy s THR 18 Ca 0.29 -1.71 -0.16 0.00 0.31 0.00 0.00 61.69 60.42 1wfy s THR 18 Cb -0.11 -1.45 0.03 0.00 0.01 0.00 0.00 72.50 70.97 1wfy s THR 18 CO 0.21 -0.56 0.45 0.72 -0.69 0.00 0.00 174.62 174.75 1wfy s PHE 19 N -2.50 -0.07 0.20 4.92 -0.12 -0.08 -3.07 117.98 117.26 1wfy s PHE 19 Ca 0.07 -0.26 0.04 0.00 -0.05 0.00 0.00 56.93 56.73 1wfy s PHE 19 Cb -0.03 0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 42.61 1wfy s PHE 19 CO 0.01 -0.82 0.29 -0.65 -0.05 0.00 0.00 175.22 174.00 1wfy s GLN 20 N -3.86 3.32 -0.02 1.99 -0.21 -1.09 0.70 119.66 120.48 1wfy s GLN 20 Ca 0.08 -0.74 0.03 0.00 0.02 0.00 0.00 55.36 54.75 1wfy s GLN 20 Cb 0.01 -2.85 -0.00 0.00 1.00 0.00 0.00 33.01 31.16 1wfy s GLN 20 CO -0.06 0.47 -0.10 -1.17 -2.12 0.00 0.00 175.29 172.31 1wfy s LEU 21 N -3.58 1.87 -0.44 2.90 0.20 0.46 0.14 118.68 120.23 1wfy s LEU 21 Ca 0.34 -0.21 -0.17 0.00 0.69 0.00 0.00 54.13 54.78 1wfy s LEU 21 Cb -0.10 -0.60 0.03 0.00 -0.43 0.00 0.00 46.19 45.10 1wfy s LEU 21 CO 0.28 0.09 0.44 -0.70 -0.29 0.00 0.00 176.35 176.17 1wfy s GLU 22 N 0.05 3.07 -1.46 1.98 2.12 0.46 -0.59 118.70 124.32 1wfy s GLU 22 Ca -0.01 -0.89 -0.13 0.00 0.36 0.00 0.00 54.97 54.29 1wfy s GLU 22 Cb -0.08 -4.01 0.04 0.00 0.26 0.00 0.00 34.13 30.34 1wfy s GLU 22 CO 0.00 -0.92 2.27 1.28 -0.54 0.00 0.00 175.26 177.35 1wfy n LEU 23 N 5.58 7.02 -4.66 2.70 4.77 -1.04 -0.27 117.00 131.10 1wfy n LEU 23 Ca -0.08 -4.19 -0.66 0.00 -0.03 0.00 0.00 56.01 51.04 1wfy n LEU 23 Cb 0.46 -1.64 -0.10 0.00 -2.33 0.00 0.00 43.42 39.81 1wfy n LEU 23 CO 0.47 1.21 1.26 0.52 -1.33 0.00 0.00 177.39 179.52 1wfy n VAL 24 N 4.85 0.01 0.00 4.08 0.31 -1.14 0.49 118.33 126.93 1wfy n VAL 24 Ca 0.54 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.86 1wfy n VAL 24 Cb 0.37 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 1wfy n VAL 24 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wfy n GLY 25 N 4.61 3.19 0.00 2.92 0.00 -1.26 -4.77 105.19 109.88 1wfy n GLY 25 Ca 0.35 -0.90 0.13 0.00 0.00 0.00 0.00 46.02 45.60 1wfy n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wfy n LEU 26 N 0.00 0.00 -4.02 0.99 0.00 0.18 -4.91 117.00 109.23 1wfy n LEU 26 Ca 0.00 0.39 -0.40 0.00 0.00 0.00 0.00 56.01 56.00 1wfy n LEU 26 Cb 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 43.42 43.04 1wfy n LEU 26 CO 0.00 -0.04 -0.19 -1.84 0.00 0.00 0.00 177.39 175.32 1wfy n GLU 27 N -1.39 -0.74 -3.68 1.96 0.28 -1.07 -4.95 120.64 111.04 1wfy n GLU 27 Ca 0.10 0.17 -0.10 0.00 -0.16 0.00 0.00 57.16 57.17 1wfy n GLU 27 Cb 0.26 -3.13 -0.10 0.00 1.43 0.00 0.00 31.44 29.91 1wfy n GLU 27 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 1wfy s ARG 28 N -7.08 0.49 -0.19 3.44 1.70 -1.26 -4.90 118.95 111.15 1wfy s ARG 28 Ca 0.39 0.87 -0.18 0.00 -0.47 0.00 0.00 55.73 56.34 1wfy s ARG 28 Cb -0.20 0.05 -0.03 0.00 -0.57 0.00 0.00 34.95 34.20 1wfy s ARG 28 CO 0.95 -0.14 0.51 0.08 -1.08 0.00 0.00 175.30 175.61 1wfy s VAL 29 N 1.29 5.12 0.27 4.99 1.01 -1.26 -2.50 120.40 129.32 1wfy s VAL 29 Ca -0.08 0.95 0.09 0.00 0.00 0.00 0.00 61.98 62.93 1wfy s VAL 29 Cb -0.07 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1wfy s VAL 29 CO -0.12 0.20 0.03 0.68 0.00 0.00 0.00 175.10 175.89 1wfy s VAL 30 N 1.46 3.59 0.06 2.92 -7.23 0.25 -4.90 120.40 116.54 1wfy s VAL 30 Ca 0.24 -1.83 0.08 0.00 -1.81 0.00 0.00 61.98 58.66 1wfy s VAL 30 Cb -0.15 -2.93 -0.03 0.00 0.56 0.00 0.00 36.38 33.82 1wfy s VAL 30 CO 0.10 -0.37 -0.20 -0.60 -0.31 0.00 0.00 175.10 173.72 1wfy s ARG 31 N -3.70 1.93 -0.05 4.82 3.52 -1.26 0.17 118.95 124.37 1wfy s ARG 31 Ca 0.32 -1.06 0.01 0.00 -0.13 0.00 0.00 55.73 54.87 1wfy s ARG 31 Cb -0.06 -2.12 0.02 0.00 -1.56 0.00 0.00 34.95 31.23 1wfy s ARG 31 CO 0.21 0.52 -0.07 0.42 -0.81 0.00 0.00 175.30 175.57 1wfy s ILE 32 N -0.94 0.72 -0.04 4.11 1.01 0.22 -4.94 121.20 121.33 1wfy s ILE 32 Ca 0.14 -0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.63 1wfy s ILE 32 Cb -0.10 -0.70 -0.01 0.00 0.01 0.00 0.00 42.46 41.65 1wfy s ILE 32 CO 0.05 0.26 -0.25 -0.94 0.00 0.00 0.00 174.94 174.07 1wfy s SER 33 N 0.82 2.95 -0.24 3.58 1.04 -1.26 -0.91 113.70 119.68 1wfy s SER 33 Ca -0.13 -0.48 -0.34 0.00 0.48 0.00 0.00 55.95 55.49 1wfy s SER 33 Cb -0.15 -0.60 0.16 0.00 0.10 0.00 0.00 66.02 65.53 1wfy s SER 33 CO 0.01 0.27 1.28 0.00 0.98 0.00 0.00 173.24 175.78 1wfy s ALA 34 N -0.34 -2.11 0.64 5.32 0.00 -0.88 -5.03 121.76 119.36 1wfy s ALA 34 Ca 0.02 1.76 -0.17 0.00 0.00 0.00 0.00 51.96 53.57 1wfy s ALA 34 Cb -0.12 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 1wfy s ALA 34 CO 0.02 -0.47 0.66 0.36 0.00 0.00 0.00 175.76 176.32 1wfy n LYS 35 N 0.14 0.52 -0.02 0.00 0.00 -1.26 -2.33 118.16 115.21 1wfy n LYS 35 Ca 0.01 0.21 -0.12 0.00 -0.00 0.00 0.00 58.31 58.41 1wfy n LYS 35 Cb 0.58 -1.89 -0.10 0.00 -0.00 0.00 0.00 35.03 33.62 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 0.04 -0.05 -0.74 -1.58 0.13 -1.84 -3.32 132.00 124.64 1wfy h PRO 36 Ca -0.46 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.79 1wfy h PRO 36 Cb 1.37 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.38 1wfy h PRO 36 CO 0.46 0.60 -0.37 1.79 -0.23 0.00 0.00 178.00 180.26 1wfy h THR 37 N -0.80 0.10 -1.97 1.56 1.35 -1.92 -2.96 112.91 108.28 1wfy h THR 37 Ca -0.01 0.00 -0.53 0.00 -0.55 0.00 0.00 66.41 65.33 1wfy h THR 37 Cb 0.68 0.10 0.24 0.00 -1.73 0.00 0.00 68.15 67.44 1wfy h THR 37 CO 0.01 0.00 -1.86 0.29 -0.25 0.00 0.00 175.52 173.71 1wfy n LYS 38 N -5.44 -0.13 -1.16 4.72 5.02 -1.25 -4.67 118.16 115.24 1wfy n LYS 38 Ca 0.06 -0.03 -0.11 0.00 -2.02 0.00 0.00 58.31 56.21 1wfy n LYS 38 Cb 0.37 -1.15 0.07 0.00 -0.02 0.00 0.00 35.03 34.29 1wfy n LYS 38 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wfy n ARG 39 N 1.69 -0.06 0.10 1.97 1.74 -1.26 -2.75 116.66 118.09 1wfy n ARG 39 Ca -0.01 -1.03 0.01 0.00 -0.77 0.00 0.00 57.85 56.05 1wfy n ARG 39 Cb 0.61 -0.41 -0.02 0.00 -1.02 0.00 0.00 32.46 31.62 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 0.16 0.55 3.38 0.23 -2.60 115.31 117.02 1wfy h LEU 40 Ca -0.16 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.46 1wfy h LEU 40 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1wfy h LEU 40 CO 0.14 0.57 -1.78 0.06 0.09 0.00 0.00 178.44 177.52 1wfy h GLN 41 N 0.00 0.34 0.00 1.13 3.07 -1.81 -2.52 115.11 115.31 1wfy h GLN 41 Ca -0.06 -0.57 -0.07 0.00 0.09 0.00 0.00 58.65 58.04 1wfy h GLN 41 Cb 1.49 0.21 -0.01 0.00 0.08 0.00 0.00 27.48 29.25 1wfy h GLN 41 CO 0.07 1.25 -0.35 0.93 0.09 0.00 0.00 178.83 180.81 1wfy h GLU 42 N 0.09 0.00 0.00 0.06 4.39 -1.87 1.43 114.58 118.68 1wfy h GLU 42 Ca -0.35 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.23 1wfy h GLU 42 Cb 2.07 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.70 1wfy h GLU 42 CO 0.15 0.35 -1.03 0.00 -1.16 0.00 0.00 179.01 177.33 1wfy h ALA 43 N 1.65 0.65 0.00 3.43 0.00 -1.57 -3.28 119.26 120.14 1wfy h ALA 43 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1wfy h ALA 43 Cb 0.77 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1wfy h ALA 43 CO 0.05 0.70 -1.19 1.28 0.00 0.00 0.00 179.25 180.08 1wfy n LEU 44 N -2.99 0.56 -0.07 0.00 7.99 -0.95 -4.24 117.00 117.30 1wfy n LEU 44 Ca -0.04 -0.02 -0.07 0.00 -0.01 0.00 0.00 56.01 55.87 1wfy n LEU 44 Cb 0.77 -0.07 -0.01 0.00 -0.11 0.00 0.00 43.42 44.00 1wfy n LEU 44 CO 0.42 0.03 0.80 1.56 -1.51 0.00 0.00 177.39 178.68 1wfy h GLN 45 N 0.00 -0.03 0.00 3.23 1.08 0.19 1.55 115.11 121.13 1wfy h GLN 45 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1wfy h GLN 45 Cb 0.79 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 1wfy h GLN 45 CO 0.00 -0.02 0.00 -0.35 -0.95 0.00 0.00 178.83 177.51 1wfy n PRO 46 N -5.26 0.51 -0.13 1.46 -0.04 -1.26 -0.97 135.00 129.31 1wfy n PRO 46 Ca -0.01 0.04 -0.21 0.00 -0.04 0.00 0.00 63.50 63.28 1wfy n PRO 46 Cb 0.18 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.03 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 -1.16 1.48 -0.04 0.52 2.08 0.81 -3.65 119.36 119.41 1wfy n ILE 47 Ca 0.14 -0.51 -0.15 0.00 0.56 0.00 0.00 62.75 62.80 1wfy n ILE 47 Cb 0.14 -1.56 -0.03 0.00 -0.75 0.00 0.00 39.64 37.44 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 -0.31 0.88 -1.43 1.39 3.38 0.21 0.19 115.31 119.62 1wfy h LEU 48 Ca -0.61 -0.52 -0.05 0.00 0.09 0.00 0.00 57.88 56.78 1wfy h LEU 48 Cb 1.80 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1wfy h LEU 48 CO -0.20 1.31 -0.24 0.00 0.09 0.00 0.00 178.44 179.40 1wfy h ALA 49 N 0.69 1.19 0.00 1.53 0.00 -1.24 1.69 119.26 123.13 1wfy h ALA 49 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1wfy h ALA 49 Cb 1.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1wfy h ALA 49 CO 0.14 0.30 -0.71 1.17 0.00 0.00 0.00 179.25 180.15 1wfy n LYS 50 N -3.66 0.03 -0.07 0.00 3.00 -1.07 -3.76 118.16 112.64 1wfy n LYS 50 Ca -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.33 1wfy n LYS 50 Cb 0.36 -1.51 0.07 0.00 0.00 0.00 0.00 35.03 33.95 1wfy n LYS 50 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1wfy n HIS 51 N -1.56 0.20 -1.58 5.64 8.25 0.63 -4.96 115.22 121.85 1wfy n HIS 51 Ca 0.05 -0.40 -0.20 0.00 -0.26 0.00 0.00 57.72 56.91 1wfy n HIS 51 Cb 0.35 -0.03 -0.09 0.00 1.12 0.00 0.00 29.99 31.34 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 0.10 1.91 0.00 -1.41 0.00 0.31 -4.96 105.19 101.15 1wfy n GLY 52 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.27 0.00 -4.07 0.99 4.77 0.50 -4.97 117.00 111.95 1wfy n LEU 53 Ca -0.20 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.67 1wfy n LEU 53 Cb 0.67 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.70 1wfy n LEU 53 CO 0.30 -0.49 0.07 -0.55 -1.33 0.00 0.00 177.39 175.40 1wfy s SER 54 N -1.00 0.23 -0.02 -1.43 0.15 -1.26 -4.32 113.70 106.04 1wfy s SER 54 Ca 0.00 -1.18 0.08 0.00 0.70 0.00 0.00 55.95 55.55 1wfy s SER 54 Cb 0.00 0.56 -0.24 0.00 -1.71 0.00 0.00 66.02 64.63 1wfy s SER 54 CO 0.00 -1.11 0.74 -0.07 1.20 0.00 0.00 173.24 174.00 1wfy h LEU 55 N 2.30 0.10 -3.96 3.45 3.38 -1.96 -3.20 115.31 115.41 1wfy h LEU 55 Ca -0.29 -0.18 -0.58 0.00 0.09 0.00 0.00 57.88 56.92 1wfy h LEU 55 Cb 1.25 -0.03 -0.29 0.00 0.09 0.00 0.00 40.66 41.67 1wfy h LEU 55 CO 0.40 1.16 0.68 -0.67 0.09 0.00 0.00 178.44 180.10 1wfy n ASP 56 N -3.19 5.70 0.00 -0.43 -0.08 -1.26 -4.26 116.55 113.03 1wfy n ASP 56 Ca -0.16 -3.71 0.00 0.00 -1.51 0.00 0.00 54.79 49.41 1wfy n ASP 56 Cb 1.03 -0.88 0.00 0.00 2.34 0.00 0.00 41.12 43.61 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 -1.02 0.00 -3.63 -0.67 1.13 -1.25 -5.09 117.38 106.86 1wfy n GLN 57 Ca 0.60 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 55.33 1wfy n GLN 57 Cb 1.12 -0.35 -0.05 0.00 0.11 0.00 0.00 30.24 31.07 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 -1.64 5.13 -0.20 5.09 -7.23 -1.21 -3.71 120.40 116.64 1wfy s VAL 58 Ca 0.00 0.23 -0.04 0.00 -1.81 0.00 0.00 61.98 60.36 1wfy s VAL 58 Cb 0.00 -3.63 -0.01 0.00 0.56 0.00 0.00 36.38 33.30 1wfy s VAL 58 CO 0.00 0.15 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.21 1wfy s VAL 59 N -1.54 3.49 -0.07 1.32 1.01 -1.23 -4.87 120.40 118.51 1wfy s VAL 59 Ca 0.37 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 1wfy s VAL 59 Cb -0.13 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1wfy s VAL 59 CO 0.21 0.44 -0.03 -0.22 0.00 0.00 0.00 175.10 175.51 1wfy s LEU 60 N 1.14 3.41 -0.30 3.92 1.98 -1.26 -1.29 118.68 126.28 1wfy s LEU 60 Ca 0.02 0.07 -0.17 0.00 -2.89 0.00 0.00 54.13 51.16 1wfy s LEU 60 Cb -0.15 -1.77 0.18 0.00 0.66 0.00 0.00 46.19 45.11 1wfy s LEU 60 CO -0.00 0.37 1.14 -1.38 -1.89 0.00 0.00 176.35 174.58 1wfy s HIS 61 N -0.86 -0.36 0.82 5.38 -3.43 -0.87 -0.82 115.29 115.14 1wfy s HIS 61 Ca 0.13 0.54 -0.15 0.00 -0.80 0.00 0.00 55.06 54.78 1wfy s HIS 61 Cb -0.11 0.19 -0.02 0.00 -1.43 0.00 0.00 32.58 31.20 1wfy s HIS 61 CO 0.02 -0.19 0.39 2.89 -2.00 0.00 0.00 174.74 175.86 1wfy n ARG 62 N 4.97 0.07 -2.39 -0.38 1.85 -1.26 -3.16 116.66 116.36 1wfy n ARG 62 Ca -0.08 0.06 -0.43 0.00 -1.00 0.00 0.00 57.85 56.41 1wfy n ARG 62 Cb 0.54 -1.77 -0.02 0.00 -1.05 0.00 0.00 32.46 30.15 1wfy n ARG 62 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1wfy s PRO 63 N -3.00 4.08 0.00 2.89 0.04 -1.26 -3.25 135.00 134.50 1wfy s PRO 63 Ca 0.61 1.51 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1wfy s PRO 63 Cb -0.29 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1wfy s PRO 63 CO 0.63 -0.91 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1wfy n GLY 64 N 3.97 4.01 1.56 0.56 0.00 -1.26 -5.09 105.19 108.94 1wfy n GLY 64 Ca 0.15 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.43 0.00 1.61 -0.58 -1.20 -5.06 120.64 112.98 1wfy n GLU 65 Ca 0.00 -0.76 0.00 0.00 -0.42 0.00 0.00 57.16 55.98 1wfy n GLU 65 Cb 0.00 -0.79 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 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 -3.27 0.00 -0.85 3.49 0.00 -1.26 -5.04 118.16 111.23 1wfy n LYS 66 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 58.08 1wfy n LYS 66 Cb 0.27 -0.00 0.17 0.00 0.00 0.00 0.00 35.03 35.47 1wfy n LYS 66 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1wfy s GLN 67 N -0.31 0.69 0.13 1.64 -0.21 -1.26 -4.95 119.66 115.38 1wfy s GLN 67 Ca 0.00 1.13 -0.30 0.00 0.02 0.00 0.00 55.36 56.21 1wfy s GLN 67 Cb 0.00 -1.72 -0.07 0.00 1.00 0.00 0.00 33.01 32.22 1wfy s GLN 67 CO 0.00 -2.72 1.14 -1.25 -2.12 0.00 0.00 175.29 170.34 1wfy s PRO 68 N -4.70 4.52 0.88 2.91 0.04 -1.26 -4.90 135.00 132.49 1wfy s PRO 68 Ca 0.66 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 63.32 1wfy s PRO 68 Cb -0.21 -3.31 0.12 0.00 0.04 0.00 0.00 34.50 31.14 1wfy s PRO 68 CO 0.59 -0.07 1.10 -1.64 0.04 0.00 0.00 177.00 177.02 1wfy s MET 69 N 0.23 1.36 0.34 4.56 -1.94 -0.00 -5.00 119.30 118.84 1wfy s MET 69 Ca 0.53 0.72 0.03 0.00 -1.71 0.00 0.00 55.69 55.26 1wfy s MET 69 Cb -0.29 -1.83 -0.02 0.00 2.01 0.00 0.00 34.83 34.70 1wfy s MET 69 CO 0.33 -2.15 0.51 0.34 -0.01 0.00 0.00 175.02 174.04 1wfy s ASP 70 N -3.57 6.12 -0.03 3.03 -1.08 -1.26 -4.69 116.67 115.19 1wfy s ASP 70 Ca 0.63 0.16 0.21 0.00 -0.52 0.00 0.00 52.55 53.03 1wfy s ASP 70 Cb -0.17 -1.68 -0.33 0.00 -1.46 0.00 0.00 42.92 39.28 1wfy s ASP 70 CO 0.56 -0.36 0.47 0.18 0.52 0.00 0.00 175.17 176.54 1wfy n LEU 71 N -1.72 0.01 0.05 -1.34 4.77 -1.26 -4.24 117.00 113.28 1wfy n LEU 71 Ca -0.03 -0.01 0.20 0.00 -0.03 0.00 0.00 56.01 56.14 1wfy n LEU 71 Cb 0.57 0.00 0.73 0.00 -2.33 0.00 0.00 43.42 42.39 1wfy n LEU 71 CO 0.46 0.00 1.18 -0.33 -1.33 0.00 0.00 177.39 177.37 1wfy h GLU 72 N 0.00 0.00 -6.94 3.23 4.39 -1.95 0.63 114.58 113.94 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 0.96 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.65 1wfy h GLU 72 CO 0.00 0.00 0.49 0.54 -1.16 0.00 0.00 179.01 178.88 1wfy s ASN 73 N -5.82 6.55 0.35 1.42 2.20 -1.26 -4.63 114.94 113.76 1wfy s ASN 73 Ca -0.05 2.31 -0.26 0.00 -0.94 0.00 0.00 52.86 53.92 1wfy s ASN 73 Cb 0.18 -2.61 -0.09 0.00 -2.00 0.00 0.00 41.25 36.72 1wfy s ASN 73 CO 0.64 -0.65 1.06 -2.16 -2.94 0.00 0.00 177.10 173.05 1wfy s PRO 74 N -2.32 4.34 0.53 3.55 0.04 -1.26 -0.87 135.00 139.02 1wfy s PRO 74 Ca 0.57 1.62 0.31 0.00 0.04 0.00 0.00 61.00 63.54 1wfy s PRO 74 Cb -0.30 -2.78 1.71 0.00 0.04 0.00 0.00 34.50 33.17 1wfy s PRO 74 CO 0.37 -0.01 1.95 -0.39 0.04 0.00 0.00 177.00 178.97 1wfy h VAL 75 N 2.53 0.00 0.00 -0.36 -1.51 -1.40 0.20 116.25 115.71 1wfy h VAL 75 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1wfy h VAL 75 Cb 1.21 0.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 1wfy h VAL 75 CO 0.64 0.00 0.00 -1.28 -1.23 0.00 0.00 177.57 175.70 1wfy h SER 76 N 0.00 0.00 0.28 4.19 0.87 -1.78 0.12 113.55 117.24 1wfy h SER 76 Ca 0.00 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.23 1wfy h SER 76 Cb 0.22 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.13 1wfy h SER 76 CO 0.00 0.00 -1.96 -0.24 -0.53 0.00 0.00 176.83 174.10 1wfy n SER 77 N -2.94 0.99 -1.16 6.23 2.88 0.70 -3.91 113.62 116.41 1wfy n SER 77 Ca -0.02 0.25 0.05 0.00 -1.33 0.00 0.00 58.87 57.82 1wfy n SER 77 Cb 0.09 -0.00 0.23 0.00 -0.75 0.00 0.00 64.21 63.78 1wfy n SER 77 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1wfy n VAL 78 N -3.07 1.28 -2.33 2.46 0.24 -0.24 -4.92 118.33 111.74 1wfy n VAL 78 Ca -0.25 -0.76 -0.40 0.00 -2.04 0.00 0.00 64.34 60.89 1wfy n VAL 78 Cb 1.07 -0.12 -0.03 0.00 -1.47 0.00 0.00 33.84 33.29 1wfy n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wfy s ALA 79 N -1.82 3.35 0.24 2.33 0.00 0.26 -4.77 121.76 121.34 1wfy s ALA 79 Ca 0.32 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1wfy s ALA 79 Cb 0.22 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1wfy s ALA 79 CO 0.14 -0.39 0.00 0.43 0.00 0.00 0.00 175.76 175.94 1wfy n SER 80 N 0.72 -3.34 0.00 0.00 7.64 -1.17 -5.05 113.62 112.41 1wfy n SER 80 Ca 0.01 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.63 1wfy n SER 80 Cb 0.45 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1wfy n SER 80 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1wfy n GLN 81 N -1.99 0.00 -5.12 1.43 7.27 -1.26 -4.90 117.38 112.80 1wfy n GLN 81 Ca -0.00 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.75 1wfy n GLN 81 Cb 0.20 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 32.69 1wfy n GLN 81 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1wfy s THR 82 N -0.91 2.35 0.58 1.69 2.01 -1.26 -2.67 115.64 117.43 1wfy s THR 82 Ca 0.00 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.08 1wfy s THR 82 Cb 0.00 -1.90 0.06 0.00 0.01 0.00 0.00 72.50 70.66 1wfy s THR 82 CO 0.00 0.56 0.81 -0.76 -0.69 0.00 0.00 174.62 174.54 1wfy s LEU 83 N 0.01 3.22 -0.05 4.42 1.43 0.37 -4.17 118.68 123.92 1wfy s LEU 83 Ca -0.08 -0.17 0.04 0.00 -1.03 0.00 0.00 54.13 52.89 1wfy s LEU 83 Cb -0.15 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.49 1wfy s LEU 83 CO 0.05 -1.30 -0.15 -0.69 0.23 0.00 0.00 176.35 174.50 1wfy s VAL 84 N -2.82 1.28 -0.06 -1.59 1.01 -1.19 0.17 120.40 117.21 1wfy s VAL 84 Ca 0.59 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 62.02 1wfy s VAL 84 Cb -0.09 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1wfy s VAL 84 CO 0.39 0.38 -0.23 -0.22 0.00 0.00 0.00 175.10 175.42 1wfy s LEU 85 N 0.22 2.19 -0.69 3.92 1.98 0.63 -2.05 118.68 124.87 1wfy s LEU 85 Ca -0.07 -0.46 0.05 0.00 -2.89 0.00 0.00 54.13 50.77 1wfy s LEU 85 Cb -0.12 -1.41 0.17 0.00 0.66 0.00 0.00 46.19 45.50 1wfy s LEU 85 CO 0.02 0.26 0.50 -0.67 -1.89 0.00 0.00 176.35 174.58 1wfy n ASP 86 N 2.84 2.92 -4.10 3.68 -0.08 -0.41 -2.89 116.55 118.50 1wfy n ASP 86 Ca -0.17 -3.19 -0.36 0.00 -1.51 0.00 0.00 54.79 49.55 1wfy n ASP 86 Cb 0.52 -0.75 0.04 0.00 2.34 0.00 0.00 41.12 43.28 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 1.93 0.08 -1.54 5.18 -2.24 -1.26 -3.49 114.28 112.94 1wfy n THR 87 Ca 0.21 -0.47 -0.29 0.00 -2.27 0.00 0.00 64.05 61.23 1wfy n THR 87 Cb 0.36 -0.09 0.13 0.00 -2.10 0.00 0.00 70.33 68.63 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 -1.99 1.33 -0.94 -0.78 0.04 -1.24 -4.86 135.00 126.55 1wfy s PRO 88 Ca 0.46 0.36 -0.07 0.00 0.04 0.00 0.00 61.00 61.78 1wfy s PRO 88 Cb -0.25 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.34 1wfy s PRO 88 CO 0.78 -2.08 2.56 -0.35 0.04 0.00 0.00 177.00 177.95 1wfy n PRO 89 N -3.70 2.49 0.14 0.56 -0.04 -1.26 -3.23 135.00 129.96 1wfy n PRO 89 Ca 0.07 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 61.99 1wfy n PRO 89 Cb 0.59 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 1wfy n PRO 89 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wfy n ASP 90 N 3.63 -1.62 -4.63 3.54 2.03 -1.26 -5.07 116.55 113.17 1wfy n ASP 90 Ca 0.53 0.50 -0.45 0.00 0.52 0.00 0.00 54.79 55.89 1wfy n ASP 90 Cb 0.29 1.66 -0.04 0.00 -0.72 0.00 0.00 41.12 42.32 1wfy n ASP 90 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wfy n ALA 91 N -3.17 1.42 -0.02 -1.67 0.00 -1.20 -4.86 120.51 111.01 1wfy n ALA 91 Ca 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 1wfy n ALA 91 Cb 0.00 -2.69 -0.01 0.00 0.00 0.00 0.00 19.45 16.75 1wfy n ALA 91 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wfy n LYS 92 N 7.71 0.13 -1.53 0.00 4.76 -1.26 -4.88 118.16 123.08 1wfy n LYS 92 Ca 0.25 0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 1wfy n LYS 92 Cb 0.38 -0.82 0.00 0.00 -1.84 0.00 0.00 35.03 32.75 1wfy n LYS 92 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 1wfy n MET 93 N -2.96 -4.10 -3.74 1.97 1.56 -1.26 -5.01 117.12 103.58 1wfy n MET 93 Ca -0.03 3.16 -0.13 0.00 -0.27 0.00 0.00 57.70 60.43 1wfy n MET 93 Cb 0.11 -3.87 -0.13 0.00 2.15 0.00 0.00 33.22 31.48 1wfy n MET 93 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1wfy s SER 94 N -4.96 -0.25 -0.30 6.12 1.04 -1.26 -5.07 113.70 109.03 1wfy s SER 94 Ca 0.00 0.50 -0.12 0.00 0.48 0.00 0.00 55.95 56.80 1wfy s SER 94 Cb 0.00 0.40 0.18 0.00 0.10 0.00 0.00 66.02 66.70 1wfy s SER 94 CO 0.00 -0.15 1.06 -0.70 0.98 0.00 0.00 173.24 174.43 1wfy s GLU 95 N 1.08 0.15 0.04 4.02 2.56 -1.26 -5.06 118.70 120.22 1wfy s GLU 95 Ca -0.08 0.19 -0.29 0.00 0.00 0.00 0.00 54.97 54.79 1wfy s GLU 95 Cb -0.09 0.10 -0.16 0.00 2.00 0.00 0.00 34.13 35.98 1wfy s GLU 95 CO -0.07 -0.23 1.39 0.00 -0.56 0.00 0.00 175.26 175.79 1wfy h ALA 96 N 7.54 -1.24 -6.25 6.30 0.00 -1.99 -3.48 119.26 120.13 1wfy h ALA 96 Ca -0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1wfy h ALA 96 Cb 1.18 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1wfy h ALA 96 CO -0.11 -1.17 -1.02 -2.13 0.00 0.00 0.00 179.25 174.83 1wfy n ARG 97 N -4.86 -0.80 -1.52 0.00 3.00 -1.26 -4.60 116.66 106.61 1wfy n ARG 97 Ca -0.13 1.06 -0.51 0.00 -0.00 0.00 0.00 57.85 58.28 1wfy n ARG 97 Cb 0.41 -1.61 -0.07 0.00 0.00 0.00 0.00 32.46 31.19 1wfy n ARG 97 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1wfy n SER 98 N 1.05 2.41 -3.36 6.15 3.41 -1.26 -4.89 113.62 117.13 1wfy n SER 98 Ca -0.01 0.59 0.02 0.00 -0.26 0.00 0.00 58.87 59.21 1wfy n SER 98 Cb 0.47 -1.27 -0.03 0.00 -0.26 0.00 0.00 64.21 63.12 1wfy n SER 98 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wfy s SER 99 N 6.32 -1.10 -0.16 4.04 0.15 -1.26 -5.13 113.70 116.55 1wfy s SER 99 Ca 1.05 1.05 -0.29 0.00 0.70 0.00 0.00 55.95 58.46 1wfy s SER 99 Cb -0.85 2.07 -0.03 0.00 -1.71 0.00 0.00 66.02 65.50 1wfy s SER 99 CO 0.51 -0.21 1.50 -0.83 1.20 0.00 0.00 173.24 175.41 1wfy s GLY 100 N 2.83 1.45 0.88 9.45 0.00 -1.26 -5.00 107.32 115.67 1wfy s GLY 100 Ca 0.06 0.57 -0.12 0.00 0.00 0.00 0.00 44.72 45.23 1wfy s GLY 100 CO -0.19 2.83 1.12 2.56 0.00 0.00 0.00 173.10 179.43 1wfy s PRO 101 N 4.10 1.42 -0.25 2.90 0.04 -1.26 -5.06 135.00 136.89 1wfy s PRO 101 Ca 0.66 0.40 -0.01 0.00 0.04 0.00 0.00 61.00 62.09 1wfy s PRO 101 Cb -0.26 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 32.49 1wfy s PRO 101 CO 0.24 -2.03 0.02 0.45 0.04 0.00 0.00 177.00 175.73 1wfy s SER 102 N -3.99 3.67 -0.11 6.66 0.15 -1.26 -5.01 113.70 113.82 1wfy s SER 102 Ca 0.63 -1.26 -0.03 0.00 0.70 0.00 0.00 55.95 55.99 1wfy s SER 102 Cb -0.15 -0.93 -0.01 0.00 -1.71 0.00 0.00 66.02 63.22 1wfy s SER 102 CO 0.54 -0.32 -0.06 -1.28 1.20 0.00 0.00 173.24 173.32 1wfy h SER 103 N 8.06 0.00 0.00 5.45 0.87 -2.06 -3.54 113.55 122.33 1wfy h SER 103 Ca -0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1wfy h SER 103 Cb 1.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1wfy h SER 103 CO 0.41 0.55 0.00 0.61 -0.53 0.00 0.00 176.83 177.87