#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 -9.14 -3.61 1.61 7.64 -1.26 -5.08 113.62 103.78 1wfy n SER 2 Ca 0.00 1.61 -0.16 0.00 1.01 0.00 0.00 58.87 61.33 1wfy n SER 2 Cb 0.00 -5.05 -0.07 0.00 -1.01 0.00 0.00 64.21 58.08 1wfy n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wfy s SER 3 N -0.55 -0.57 0.00 6.43 0.01 -1.26 -5.09 113.70 112.68 1wfy s SER 3 Ca 0.00 0.76 0.00 0.00 1.31 0.00 0.00 55.95 58.02 1wfy s SER 3 Cb 0.00 0.72 0.00 0.00 0.21 0.00 0.00 66.02 66.95 1wfy s SER 3 CO 0.00 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 173.81 1wfy n GLY 4 N 1.56 -1.35 2.15 3.44 0.00 -1.26 -5.04 105.19 104.70 1wfy n GLY 4 Ca -0.18 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1wfy n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfy n SER 5 N 0.00 -2.62 -4.44 1.61 2.88 -1.26 -5.11 113.62 104.68 1wfy n SER 5 Ca 0.00 0.60 -0.35 0.00 -1.33 0.00 0.00 58.87 57.79 1wfy n SER 5 Cb 0.00 2.59 0.09 0.00 -0.75 0.00 0.00 64.21 66.14 1wfy n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wfy n SER 6 N -3.16 -1.68 -3.87 -3.46 2.88 -1.26 -5.01 113.62 98.06 1wfy n SER 6 Ca 0.00 0.46 -0.20 0.00 -1.33 0.00 0.00 58.87 57.80 1wfy n SER 6 Cb 0.00 -1.21 -0.16 0.00 -0.75 0.00 0.00 64.21 62.09 1wfy n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wfy s GLY 7 N -1.73 0.42 0.00 0.46 0.00 -1.26 -5.14 107.32 100.07 1wfy s GLY 7 Ca 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 45.30 1wfy s GLY 7 CO 0.63 0.51 0.00 1.34 0.00 0.00 0.00 173.10 175.58 1wfy n ASP 8 N 4.14 0.44 -2.20 1.64 2.03 -1.26 -5.03 116.55 116.31 1wfy n ASP 8 Ca -0.24 -0.63 -0.29 0.00 0.52 0.00 0.00 54.79 54.15 1wfy n ASP 8 Cb 0.51 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.99 1wfy n ASP 8 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wfy n GLN 9 N 0.00 2.41 0.00 -0.67 10.64 -1.26 -5.03 117.38 123.47 1wfy n GLN 9 Ca 0.00 -2.81 0.00 0.00 -1.83 0.00 0.00 57.00 52.36 1wfy n GLN 9 Cb 0.00 -2.10 0.00 0.00 -0.86 0.00 0.00 30.24 27.28 1wfy n GLN 9 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1wfy n GLU 10 N -0.64 0.00 -4.03 2.61 1.02 -1.26 -4.93 120.64 113.41 1wfy n GLU 10 Ca 0.54 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.59 1wfy n GLU 10 Cb 0.77 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 32.10 1wfy n GLU 10 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1wfy s VAL 11 N 0.00 0.12 0.43 2.62 1.01 -1.26 -5.12 120.40 118.20 1wfy s VAL 11 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.36 1wfy s VAL 11 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1wfy s VAL 11 CO 0.00 -0.55 0.00 0.54 0.00 0.00 0.00 175.10 175.09 1wfy n ARG 12 N -0.08 -2.57 -3.69 2.72 1.74 -1.26 -4.90 116.66 108.62 1wfy n ARG 12 Ca -0.09 1.99 -0.14 0.00 -0.77 0.00 0.00 57.85 58.84 1wfy n ARG 12 Cb 0.63 -3.16 -0.09 0.00 -1.02 0.00 0.00 32.46 28.83 1wfy n ARG 12 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wfy s LEU 13 N -6.52 0.11 -0.21 0.55 1.43 -1.26 -5.01 118.68 107.77 1wfy s LEU 13 Ca 0.00 0.79 -0.10 0.00 -1.03 0.00 0.00 54.13 53.79 1wfy s LEU 13 Cb 0.00 1.77 0.04 0.00 0.03 0.00 0.00 46.19 48.03 1wfy s LEU 13 CO 0.00 -0.30 0.21 -0.62 0.23 0.00 0.00 176.35 175.87 1wfy n GLU 14 N 2.21 -4.42 0.00 1.70 1.02 -1.26 -5.07 120.64 114.83 1wfy n GLU 14 Ca -0.16 3.35 0.00 0.00 -0.02 0.00 0.00 57.16 60.33 1wfy n GLU 14 Cb 0.56 -5.11 0.00 0.00 -0.02 0.00 0.00 31.44 26.87 1wfy n GLU 14 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1wfy n ASN 15 N 1.55 0.00 -3.75 1.62 2.85 -1.26 -5.14 115.26 111.13 1wfy n ASN 15 Ca -0.35 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 53.96 1wfy n ASN 15 Cb 0.54 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.41 1wfy n ASN 15 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1wfy s ARG 16 N -2.00 -0.01 0.11 1.20 3.00 -1.26 -4.13 118.95 115.86 1wfy s ARG 16 Ca 0.00 0.28 0.05 0.00 0.00 0.00 0.00 55.73 56.05 1wfy s ARG 16 Cb 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 34.95 34.64 1wfy s ARG 16 CO 0.00 -0.20 0.04 0.96 0.00 0.00 0.00 175.30 176.10 1wfy s ILE 17 N 1.30 4.17 0.11 1.52 -5.25 -0.87 -4.92 121.20 117.27 1wfy s ILE 17 Ca -0.07 -1.00 0.06 0.00 -0.99 0.00 0.00 60.65 58.66 1wfy s ILE 17 Cb -0.12 -3.03 -0.04 0.00 2.95 0.00 0.00 42.46 42.22 1wfy s ILE 17 CO -0.04 0.06 -0.16 -0.89 -1.79 0.00 0.00 174.94 172.13 1wfy s THR 18 N -1.44 1.39 0.17 8.37 2.01 -1.26 -1.90 115.64 122.99 1wfy s THR 18 Ca 0.27 -1.63 -0.15 0.00 0.31 0.00 0.00 61.69 60.50 1wfy s THR 18 Cb -0.11 -1.47 0.02 0.00 0.01 0.00 0.00 72.50 70.94 1wfy s THR 18 CO 0.20 -0.31 0.44 0.72 -0.69 0.00 0.00 174.62 174.98 1wfy s PHE 19 N -1.81 -0.01 0.30 4.92 -0.12 -0.00 -4.57 117.98 116.70 1wfy s PHE 19 Ca 0.07 -0.34 0.06 0.00 -0.05 0.00 0.00 56.93 56.68 1wfy s PHE 19 Cb -0.07 0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 42.56 1wfy s PHE 19 CO 0.03 -0.83 0.40 -0.65 -0.05 0.00 0.00 175.22 174.12 1wfy s GLN 20 N -3.88 3.17 0.02 1.99 -0.21 -1.26 0.88 119.66 120.37 1wfy s GLN 20 Ca 0.10 -0.97 0.01 0.00 0.02 0.00 0.00 55.36 54.52 1wfy s GLN 20 Cb 0.01 -2.79 -0.02 0.00 1.00 0.00 0.00 33.01 31.21 1wfy s GLN 20 CO -0.04 0.20 -0.05 -1.17 -2.12 0.00 0.00 175.29 172.12 1wfy s LEU 21 N -4.07 2.19 -0.27 2.90 0.20 0.28 -2.19 118.68 117.72 1wfy s LEU 21 Ca 0.40 -0.41 -0.09 0.00 0.69 0.00 0.00 54.13 54.72 1wfy s LEU 21 Cb -0.09 -0.07 -0.04 0.00 -0.43 0.00 0.00 46.19 45.56 1wfy s LEU 21 CO 0.30 -0.18 0.14 -0.70 -0.29 0.00 0.00 176.35 175.61 1wfy s GLU 22 N -1.17 3.80 -1.21 1.98 2.12 0.23 -0.99 118.70 123.46 1wfy s GLU 22 Ca -0.09 -0.40 -0.10 0.00 0.36 0.00 0.00 54.97 54.73 1wfy s GLU 22 Cb -0.08 -3.51 0.20 0.00 0.26 0.00 0.00 34.13 31.01 1wfy s GLU 22 CO -0.00 -0.19 1.57 1.28 -0.54 0.00 0.00 175.26 177.38 1wfy n LEU 23 N 5.00 5.98 -4.53 2.70 4.77 -1.02 0.95 117.00 130.85 1wfy n LEU 23 Ca -0.15 -4.72 -0.42 0.00 -0.03 0.00 0.00 56.01 50.69 1wfy n LEU 23 Cb 0.52 -1.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.05 1wfy n LEU 23 CO 0.32 1.20 1.95 0.52 -1.33 0.00 0.00 177.39 180.05 1wfy n VAL 24 N 3.39 0.10 0.00 4.08 0.31 -1.00 -2.84 118.33 122.38 1wfy n VAL 24 Ca 0.35 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1wfy n VAL 24 Cb 0.38 -2.17 0.00 0.00 -0.91 0.00 0.00 33.84 31.15 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 6.16 0.01 0.15 2.92 0.00 -1.26 -4.61 105.19 108.55 1wfy n GLY 25 Ca 0.40 0.09 -0.00 0.00 0.00 0.00 0.00 46.02 46.51 1wfy n GLY 25 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1wfy h LEU 26 N 0.00 0.00 -2.35 0.99 8.10 -2.00 -3.48 115.31 116.56 1wfy h LEU 26 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1wfy h LEU 26 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1wfy h LEU 26 CO 0.00 0.55 0.00 -0.62 -4.11 0.00 0.00 178.44 174.26 1wfy n GLU 27 N -3.86 0.00 0.00 0.17 1.02 -1.13 -5.13 120.64 111.70 1wfy n GLU 27 Ca -0.01 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 1wfy n GLU 27 Cb 0.56 -0.78 0.00 0.00 -0.02 0.00 0.00 31.44 31.19 1wfy n GLU 27 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1wfy n ARG 28 N 0.09 0.00 -5.12 3.49 1.85 -1.26 -5.04 116.66 110.67 1wfy n ARG 28 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.54 1wfy n ARG 28 Cb 0.00 0.00 -0.17 0.00 -1.05 0.00 0.00 32.46 31.24 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 1.90 0.31 8.89 1.01 -1.26 -2.43 120.40 126.82 1wfy s VAL 29 Ca 0.00 -0.94 0.10 0.00 0.00 0.00 0.00 61.98 61.14 1wfy s VAL 29 Cb 0.00 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 1wfy s VAL 29 CO 0.00 0.53 -0.04 0.68 0.00 0.00 0.00 175.10 176.27 1wfy s VAL 30 N 0.27 2.84 0.01 2.92 -7.23 -0.16 -4.92 120.40 114.14 1wfy s VAL 30 Ca -0.15 -2.05 0.09 0.00 -1.81 0.00 0.00 61.98 58.06 1wfy s VAL 30 Cb -0.17 -2.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.05 1wfy s VAL 30 CO 0.07 -0.29 -0.26 -0.60 -0.31 0.00 0.00 175.10 173.71 1wfy s ARG 31 N -3.66 1.90 -0.05 4.82 3.52 -1.26 0.10 118.95 124.32 1wfy s ARG 31 Ca 0.33 -1.01 0.03 0.00 -0.13 0.00 0.00 55.73 54.95 1wfy s ARG 31 Cb -0.03 -1.96 0.00 0.00 -1.56 0.00 0.00 34.95 31.40 1wfy s ARG 31 CO 0.19 0.52 -0.14 0.42 -0.81 0.00 0.00 175.30 175.48 1wfy s ILE 32 N -0.71 1.21 -0.06 4.11 1.01 0.25 -4.96 121.20 122.06 1wfy s ILE 32 Ca 0.11 -0.56 0.05 0.00 0.00 0.00 0.00 60.65 60.24 1wfy s ILE 32 Cb -0.10 -1.07 -0.01 0.00 0.01 0.00 0.00 42.46 41.30 1wfy s ILE 32 CO 0.01 0.36 -0.22 -0.94 0.00 0.00 0.00 174.94 174.15 1wfy s SER 33 N 0.32 2.76 -0.25 3.58 1.04 -1.26 -0.82 113.70 119.06 1wfy s SER 33 Ca -0.08 -0.46 -0.34 0.00 0.48 0.00 0.00 55.95 55.55 1wfy s SER 33 Cb -0.13 -0.82 0.16 0.00 0.10 0.00 0.00 66.02 65.34 1wfy s SER 33 CO 0.03 0.20 1.31 0.00 0.98 0.00 0.00 173.24 175.76 1wfy s ALA 34 N -0.04 -2.12 0.64 5.32 0.00 -0.80 -5.03 121.76 119.73 1wfy s ALA 34 Ca -0.05 1.81 -0.17 0.00 0.00 0.00 0.00 51.96 53.54 1wfy s ALA 34 Cb -0.13 -0.77 -0.07 0.00 0.00 0.00 0.00 23.12 22.14 1wfy s ALA 34 CO 0.04 -0.43 0.46 0.36 0.00 0.00 0.00 175.76 176.19 1wfy n LYS 35 N 0.22 0.39 0.09 0.00 0.00 -1.26 -2.05 118.16 115.55 1wfy n LYS 35 Ca 0.01 0.16 -0.05 0.00 -0.00 0.00 0.00 58.31 58.43 1wfy n LYS 35 Cb 0.58 -1.70 -0.03 0.00 -0.00 0.00 0.00 35.03 33.88 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 -0.32 -0.89 -1.58 0.13 -1.87 -3.33 132.00 124.08 1wfy h PRO 36 Ca -0.45 0.02 0.15 0.00 -0.87 0.00 0.00 66.00 64.84 1wfy h PRO 36 Cb 1.38 0.07 -0.15 0.00 0.13 0.00 0.00 31.00 32.43 1wfy h PRO 36 CO 0.44 -0.20 -0.32 0.25 -0.23 0.00 0.00 178.00 177.94 1wfy n THR 37 N -5.00 -0.45 -1.10 1.56 -2.24 -1.26 -2.71 114.28 103.08 1wfy n THR 37 Ca -0.04 2.08 -0.37 0.00 -2.27 0.00 0.00 64.05 63.45 1wfy n THR 37 Cb 0.14 -2.77 0.03 0.00 -2.10 0.00 0.00 70.33 65.62 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 -5.34 0.01 -1.08 -0.78 4.81 -1.25 -4.57 118.16 109.96 1wfy n LYS 38 Ca 0.10 0.01 -0.18 0.00 -0.87 0.00 0.00 58.31 57.37 1wfy n LYS 38 Cb 0.37 -1.08 0.13 0.00 0.02 0.00 0.00 35.03 34.47 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 1.79 -0.98 0.07 1.64 5.12 -1.26 -2.49 116.66 120.55 1wfy n ARG 39 Ca 0.03 -1.21 -0.01 0.00 -1.93 0.00 0.00 57.85 54.72 1wfy n ARG 39 Cb 0.52 -0.85 -0.05 0.00 -1.16 0.00 0.00 32.46 30.92 1wfy n ARG 39 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1wfy h LEU 40 N 0.00 0.00 0.17 0.55 3.38 0.45 -2.71 115.31 117.16 1wfy h LEU 40 Ca -0.26 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.37 1wfy h LEU 40 Cb 0.72 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.48 1wfy h LEU 40 CO 0.18 0.65 -1.68 0.06 0.09 0.00 0.00 178.44 177.75 1wfy h GLN 41 N 0.00 0.36 0.00 1.13 3.07 -1.81 -2.48 115.11 115.38 1wfy h GLN 41 Ca -0.09 -0.62 -0.05 0.00 0.09 0.00 0.00 58.65 57.97 1wfy h GLN 41 Cb 1.58 0.23 -0.01 0.00 0.08 0.00 0.00 27.48 29.36 1wfy h GLN 41 CO 0.07 1.27 -0.26 0.93 0.09 0.00 0.00 178.83 180.93 1wfy h GLU 42 N 0.10 0.00 0.00 0.06 4.39 -1.86 1.35 114.58 118.63 1wfy h GLU 42 Ca -0.31 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.24 1wfy h GLU 42 Cb 2.08 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.71 1wfy h GLU 42 CO 0.18 0.26 -1.11 0.00 -1.16 0.00 0.00 179.01 177.18 1wfy h ALA 43 N 1.74 0.65 0.00 3.43 0.00 -1.57 -3.30 119.26 120.21 1wfy h ALA 43 Ca -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1wfy h ALA 43 Cb 0.78 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1wfy h ALA 43 CO 0.03 0.83 -1.34 1.28 0.00 0.00 0.00 179.25 180.05 1wfy n LEU 44 N -3.00 0.50 -0.10 0.00 7.99 -0.94 -4.28 117.00 117.17 1wfy n LEU 44 Ca -0.06 -0.03 -0.06 0.00 -0.01 0.00 0.00 56.01 55.85 1wfy n LEU 44 Cb 0.81 -0.05 0.00 0.00 -0.11 0.00 0.00 43.42 44.07 1wfy n LEU 44 CO 0.42 0.03 0.79 1.56 -1.51 0.00 0.00 177.39 178.68 1wfy h GLN 45 N 0.00 -0.02 0.00 3.23 4.20 0.17 1.60 115.11 124.29 1wfy h GLN 45 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1wfy h GLN 45 Cb 0.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1wfy h GLN 45 CO 0.00 -0.01 0.00 -0.35 -0.67 0.00 0.00 178.83 177.80 1wfy n PRO 46 N -5.29 0.50 -0.13 1.46 -0.04 -1.26 -1.32 135.00 128.92 1wfy n PRO 46 Ca 0.01 0.04 -0.21 0.00 -0.04 0.00 0.00 63.50 63.30 1wfy n PRO 46 Cb 0.20 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.05 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 -1.17 1.48 0.18 0.52 2.08 0.13 -3.65 119.36 118.94 1wfy n ILE 47 Ca 0.14 -0.51 0.05 0.00 0.56 0.00 0.00 62.75 62.99 1wfy n ILE 47 Cb 0.14 -1.54 0.31 0.00 -0.75 0.00 0.00 39.64 37.80 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 -0.28 0.00 -0.27 1.39 3.38 0.22 -0.26 115.31 119.49 1wfy h LEU 48 Ca -0.61 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.16 1wfy h LEU 48 Cb 1.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 1wfy h LEU 48 CO -0.18 0.39 -0.88 0.00 0.09 0.00 0.00 178.44 177.86 1wfy h ALA 49 N 1.61 0.49 -0.08 1.53 0.00 -1.39 1.54 119.26 122.96 1wfy h ALA 49 Ca -0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1wfy h ALA 49 Cb 0.94 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1wfy h ALA 49 CO 0.05 0.88 0.00 1.17 0.00 0.00 0.00 179.25 181.35 1wfy n LYS 50 N -3.70 1.80 0.00 0.00 3.00 -1.06 -3.52 118.16 114.69 1wfy n LYS 50 Ca -0.04 -1.18 0.00 0.00 -0.00 0.00 0.00 58.31 57.08 1wfy n LYS 50 Cb 0.80 -1.46 0.00 0.00 0.00 0.00 0.00 35.03 34.38 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 0.42 0.00 -2.00 5.64 8.25 -0.13 -4.98 115.22 122.42 1wfy n HIS 51 Ca 0.18 -0.18 -0.19 0.00 -0.26 0.00 0.00 57.72 57.26 1wfy n HIS 51 Cb 0.39 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.44 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 -0.18 0.61 0.00 -1.41 0.00 0.74 -4.96 105.19 100.00 1wfy n GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.63 0.00 -4.09 0.99 4.77 0.49 -4.53 117.00 112.01 1wfy n LEU 53 Ca -0.21 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.64 1wfy n LEU 53 Cb 0.65 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.69 1wfy n LEU 53 CO 0.28 -0.43 0.09 -0.94 -1.33 0.00 0.00 177.39 175.06 1wfy s SER 54 N -1.00 0.54 0.03 -1.43 1.04 -1.26 -4.51 113.70 107.10 1wfy s SER 54 Ca 0.00 -1.32 0.23 0.00 0.48 0.00 0.00 55.95 55.34 1wfy s SER 54 Cb 0.00 0.60 0.04 0.00 0.10 0.00 0.00 66.02 66.75 1wfy s SER 54 CO 0.00 -1.18 1.02 0.18 0.98 0.00 0.00 173.24 174.25 1wfy n LEU 55 N -0.47 0.64 -0.46 2.42 4.77 -1.26 -3.50 117.00 119.13 1wfy n LEU 55 Ca 0.01 -0.10 0.04 0.00 -0.03 0.00 0.00 56.01 55.93 1wfy n LEU 55 Cb 0.62 -0.09 0.10 0.00 -2.33 0.00 0.00 43.42 41.72 1wfy n LEU 55 CO 0.28 0.09 0.54 -0.67 -1.33 0.00 0.00 177.39 176.30 1wfy n ASP 56 N -1.85 2.45 -0.11 -1.43 -0.08 -1.26 -4.57 116.55 109.70 1wfy n ASP 56 Ca 0.02 -1.82 -0.21 0.00 -1.51 0.00 0.00 54.79 51.27 1wfy n ASP 56 Cb 0.41 -0.13 -0.08 0.00 2.34 0.00 0.00 41.12 43.66 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 0.36 0.48 -2.41 -0.67 1.13 -1.25 -5.02 117.38 109.99 1wfy n GLN 57 Ca 0.08 0.18 -0.24 0.00 -1.94 0.00 0.00 57.00 55.08 1wfy n GLN 57 Cb 0.34 -1.32 0.07 0.00 0.11 0.00 0.00 30.24 29.44 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 -2.40 2.37 -0.05 5.09 -7.23 -1.23 -3.88 120.40 113.06 1wfy s VAL 58 Ca -0.30 -0.46 -0.02 0.00 -1.81 0.00 0.00 61.98 59.40 1wfy s VAL 58 Cb 0.10 -2.91 0.04 0.00 0.56 0.00 0.00 36.38 34.17 1wfy s VAL 58 CO 0.41 0.00 0.09 -0.69 -0.31 0.00 0.00 175.10 174.61 1wfy s VAL 59 N -3.09 -0.13 -0.11 1.32 1.01 -1.21 -4.90 120.40 113.28 1wfy s VAL 59 Ca 0.61 0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.87 1wfy s VAL 59 Cb -0.09 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1wfy s VAL 59 CO 0.43 0.14 0.10 -0.22 0.00 0.00 0.00 175.10 175.54 1wfy s LEU 60 N 1.84 4.13 -0.30 3.92 1.98 -1.26 -2.05 118.68 126.94 1wfy s LEU 60 Ca -0.00 0.36 -0.15 0.00 -2.89 0.00 0.00 54.13 51.44 1wfy s LEU 60 Cb -0.12 -1.99 0.18 0.00 0.66 0.00 0.00 46.19 44.91 1wfy s LEU 60 CO -0.04 0.39 1.07 -1.38 -1.89 0.00 0.00 176.35 174.50 1wfy s HIS 61 N -0.91 -0.51 0.78 5.38 -3.43 -1.04 -1.10 115.29 114.47 1wfy s HIS 61 Ca 0.14 0.78 -0.16 0.00 -0.80 0.00 0.00 55.06 55.02 1wfy s HIS 61 Cb -0.12 0.27 -0.05 0.00 -1.43 0.00 0.00 32.58 31.24 1wfy s HIS 61 CO 0.03 -0.26 0.23 0.54 -2.00 0.00 0.00 174.74 173.28 1wfy n ARG 62 N 5.01 0.11 -2.31 -0.38 1.74 -1.26 -3.37 116.66 116.20 1wfy n ARG 62 Ca -0.08 0.07 -0.36 0.00 -0.77 0.00 0.00 57.85 56.71 1wfy n ARG 62 Cb 0.54 -1.62 -0.04 0.00 -1.02 0.00 0.00 32.46 30.32 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 -2.62 3.02 0.00 5.56 0.04 -1.26 -2.93 135.00 136.81 1wfy s PRO 63 Ca 0.59 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.28 1wfy s PRO 63 Cb -0.31 -4.83 0.00 0.00 0.04 0.00 0.00 34.50 29.40 1wfy s PRO 63 CO 0.64 -2.63 0.00 0.41 0.04 0.00 0.00 177.00 175.46 1wfy n GLY 64 N 6.32 3.53 3.47 0.56 0.00 -1.26 -5.12 105.19 112.69 1wfy n GLY 64 Ca 0.26 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 1wfy n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wfy s GLU 65 N 0.00 -1.05 0.00 1.61 0.41 -1.15 -5.02 118.70 113.50 1wfy s GLU 65 Ca 0.00 0.91 0.00 0.00 -0.41 0.00 0.00 54.97 55.47 1wfy s GLU 65 Cb 0.00 -1.53 0.00 0.00 -1.78 0.00 0.00 34.13 30.82 1wfy s GLU 65 CO 0.00 -3.83 0.00 1.17 -0.49 0.00 0.00 175.26 172.11 1wfy n LYS 66 N -5.00 0.00 -1.21 1.61 4.81 -1.26 -4.95 118.16 112.16 1wfy n LYS 66 Ca 0.03 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.16 1wfy n LYS 66 Cb 0.54 -0.24 0.10 0.00 0.02 0.00 0.00 35.03 35.45 1wfy n LYS 66 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 1wfy s GLN 67 N -0.53 2.02 0.32 1.64 -2.07 -1.26 -4.99 119.66 114.79 1wfy s GLN 67 Ca 0.00 1.15 -0.28 0.00 -1.82 0.00 0.00 55.36 54.41 1wfy s GLN 67 Cb 0.00 -1.87 -0.09 0.00 -1.09 0.00 0.00 33.01 29.96 1wfy s GLN 67 CO 0.00 -1.80 1.07 -1.25 -1.32 0.00 0.00 175.29 171.99 1wfy s PRO 68 N -4.89 4.50 1.15 9.60 0.04 -1.26 -4.90 135.00 139.24 1wfy s PRO 68 Ca 0.62 1.69 -0.18 0.00 0.04 0.00 0.00 61.00 63.16 1wfy s PRO 68 Cb -0.18 -2.98 0.27 0.00 0.04 0.00 0.00 34.50 31.65 1wfy s PRO 68 CO 0.56 0.11 1.14 0.00 0.04 0.00 0.00 177.00 178.86 1wfy s MET 69 N -1.78 -0.83 -0.02 4.56 0.23 -0.26 -5.00 119.30 116.20 1wfy s MET 69 Ca 0.49 -0.08 0.02 0.00 -1.03 0.00 0.00 55.69 55.09 1wfy s MET 69 Cb -0.28 -1.64 -0.03 0.00 -1.53 0.00 0.00 34.83 31.34 1wfy s MET 69 CO 0.36 -3.45 -0.06 0.34 -2.03 0.00 0.00 175.02 170.18 1wfy s ASP 70 N -4.02 4.68 0.00 -1.18 -1.08 -1.26 -4.81 116.67 108.99 1wfy s ASP 70 Ca 0.71 -0.10 0.26 0.00 -0.52 0.00 0.00 52.55 52.90 1wfy s ASP 70 Cb -0.09 -1.13 1.05 0.00 -1.46 0.00 0.00 42.92 41.29 1wfy s ASP 70 CO 0.56 0.30 1.73 0.18 0.52 0.00 0.00 175.17 178.46 1wfy n LEU 71 N 1.72 1.30 0.00 -1.34 4.77 -1.26 -3.59 117.00 118.61 1wfy n LEU 71 Ca -0.16 -0.48 0.13 0.00 -0.03 0.00 0.00 56.01 55.47 1wfy n LEU 71 Cb 0.53 -0.03 0.71 0.00 -2.33 0.00 0.00 43.42 42.29 1wfy n LEU 71 CO 0.30 0.24 0.94 -0.62 -1.33 0.00 0.00 177.39 176.92 1wfy n GLU 72 N 0.04 0.58 -3.82 3.23 1.02 -1.26 -1.21 120.64 119.22 1wfy n GLU 72 Ca 0.18 0.03 -0.29 0.00 -0.02 0.00 0.00 57.16 57.06 1wfy n GLU 72 Cb 0.30 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.19 1wfy n GLU 72 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1wfy s ASN 73 N -2.30 6.38 0.27 1.62 0.01 -1.24 -4.86 114.94 114.84 1wfy s ASN 73 Ca 0.31 0.33 -0.30 0.00 -0.71 0.00 0.00 52.86 52.50 1wfy s ASN 73 Cb 0.17 -1.98 -0.09 0.00 0.41 0.00 0.00 41.25 39.76 1wfy s ASN 73 CO 0.35 0.05 1.08 -2.16 -1.51 0.00 0.00 177.10 174.91 1wfy s PRO 74 N -3.00 4.67 0.64 -0.60 0.04 -1.26 -0.89 135.00 134.60 1wfy s PRO 74 Ca 0.37 1.77 0.29 0.00 0.04 0.00 0.00 61.00 63.47 1wfy s PRO 74 Cb -0.12 -3.20 1.57 0.00 0.04 0.00 0.00 34.50 32.79 1wfy s PRO 74 CO 0.28 0.25 1.91 -0.39 0.04 0.00 0.00 177.00 179.08 1wfy h VAL 75 N 3.11 0.11 -0.22 -0.36 -1.51 -1.27 0.26 116.25 116.36 1wfy h VAL 75 Ca -0.46 0.00 0.06 0.00 -1.23 0.00 0.00 66.70 65.07 1wfy h VAL 75 Cb 1.21 0.65 -0.01 0.00 -2.13 0.00 0.00 31.29 31.01 1wfy h VAL 75 CO 0.67 0.00 0.40 0.77 -1.23 0.00 0.00 177.57 178.18 1wfy h SER 76 N 0.00 0.00 0.21 4.19 4.64 -1.82 0.37 113.55 121.15 1wfy h SER 76 Ca 0.05 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.02 1wfy h SER 76 Cb 0.80 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.91 1wfy h SER 76 CO -0.00 0.00 -1.70 -1.28 -0.87 0.00 0.00 176.83 172.97 1wfy h SER 77 N 0.00 0.66 -0.60 4.97 0.87 -0.82 -3.31 113.55 115.32 1wfy h SER 77 Ca 0.10 -0.92 -0.37 0.00 -1.23 0.00 0.00 61.79 59.37 1wfy h SER 77 Cb 0.91 -0.21 -0.18 0.00 -0.44 0.00 0.00 62.40 62.47 1wfy h SER 77 CO -0.00 1.77 0.48 1.33 -0.53 0.00 0.00 176.83 179.88 1wfy n VAL 78 N -3.61 2.72 -2.90 2.23 0.24 0.12 -4.40 118.33 112.73 1wfy n VAL 78 Ca -0.23 -1.64 -0.25 0.00 -2.04 0.00 0.00 64.34 60.18 1wfy n VAL 78 Cb 1.08 -1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 32.37 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 4.37 0.09 2.33 0.00 -0.57 -4.55 120.51 122.02 1wfy n ALA 79 Ca 0.37 -4.45 0.00 0.00 0.00 0.00 0.00 53.44 49.36 1wfy n ALA 79 Cb 0.84 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.21 -1.69 -5.01 0.00 2.88 -1.26 -4.91 113.62 103.42 1wfy n SER 80 Ca 0.31 0.37 -0.21 0.00 -1.33 0.00 0.00 58.87 58.01 1wfy n SER 80 Cb 0.47 1.85 0.05 0.00 -0.75 0.00 0.00 64.21 65.83 1wfy n SER 80 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1wfy s GLN 81 N -2.00 2.27 -0.05 -1.46 1.11 -1.26 -5.03 119.66 113.24 1wfy s GLN 81 Ca 0.00 -1.73 -0.16 0.00 0.01 0.00 0.00 55.36 53.48 1wfy s GLN 81 Cb 0.00 -2.54 -0.05 0.00 -1.01 0.00 0.00 33.01 29.41 1wfy s GLN 81 CO 0.00 -0.85 0.42 0.99 0.01 0.00 0.00 175.29 175.86 1wfy s THR 82 N -2.70 5.09 0.37 -0.19 2.01 -1.26 -4.43 115.64 114.53 1wfy s THR 82 Ca 0.57 0.86 0.03 0.00 0.31 0.00 0.00 61.69 63.46 1wfy s THR 82 Cb -0.05 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 1wfy s THR 82 CO 0.36 0.49 0.55 -0.76 -0.69 0.00 0.00 174.62 174.57 1wfy s LEU 83 N -0.43 3.89 -0.14 4.42 1.43 -0.93 -4.15 118.68 122.78 1wfy s LEU 83 Ca 0.24 0.16 -0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1wfy s LEU 83 Cb -0.16 -3.04 0.03 0.00 0.03 0.00 0.00 46.19 43.05 1wfy s LEU 83 CO 0.12 -0.47 -0.10 -0.69 0.23 0.00 0.00 176.35 175.44 1wfy s VAL 84 N -2.33 1.29 -0.12 -1.59 1.01 -1.22 0.74 120.40 118.19 1wfy s VAL 84 Ca 0.44 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 1wfy s VAL 84 Cb -0.10 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1wfy s VAL 84 CO 0.35 0.37 0.07 -0.22 0.00 0.00 0.00 175.10 175.67 1wfy s LEU 85 N 1.59 3.95 -0.47 3.92 1.98 0.27 -2.48 118.68 127.45 1wfy s LEU 85 Ca 0.04 0.27 0.03 0.00 -2.89 0.00 0.00 54.13 51.58 1wfy s LEU 85 Cb -0.13 -1.95 0.13 0.00 0.66 0.00 0.00 46.19 44.90 1wfy s LEU 85 CO -0.09 0.35 0.24 -0.62 -1.89 0.00 0.00 176.35 174.34 1wfy s ASP 86 N -0.72 3.97 0.90 3.68 2.15 -0.87 -2.37 116.67 123.40 1wfy s ASP 86 Ca 0.12 -2.75 -0.12 0.00 0.43 0.00 0.00 52.55 50.24 1wfy s ASP 86 Cb -0.12 -1.30 0.10 0.00 -0.30 0.00 0.00 42.92 41.30 1wfy s ASP 86 CO 0.03 -0.26 0.95 0.35 -0.17 0.00 0.00 175.17 176.07 1wfy n THR 87 N 3.42 0.47 -2.17 1.71 -2.24 -1.26 -3.35 114.28 110.85 1wfy n THR 87 Ca 0.07 -0.10 -0.33 0.00 -2.27 0.00 0.00 64.05 61.42 1wfy n THR 87 Cb 0.34 -0.94 -0.00 0.00 -2.10 0.00 0.00 70.33 67.63 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 -4.22 3.47 -0.72 -0.78 0.04 -1.25 -4.90 135.00 126.64 1wfy s PRO 88 Ca 0.66 1.20 -0.06 0.00 0.04 0.00 0.00 61.00 62.84 1wfy s PRO 88 Cb -0.24 -2.05 -0.12 0.00 0.04 0.00 0.00 34.50 32.12 1wfy s PRO 88 CO 0.59 -0.68 2.63 -0.35 0.04 0.00 0.00 177.00 179.22 1wfy n PRO 89 N -1.79 2.25 0.00 0.56 -0.04 -1.26 -4.10 135.00 130.62 1wfy n PRO 89 Ca 0.09 -1.35 0.00 0.00 -0.04 0.00 0.00 63.50 62.20 1wfy n PRO 89 Cb 0.53 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 1wfy n PRO 89 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wfy n ASP 90 N 3.40 0.00 -4.64 3.54 8.00 -1.26 -5.13 116.55 120.45 1wfy n ASP 90 Ca 0.48 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.58 1wfy n ASP 90 Cb 0.39 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.42 1wfy n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wfy s ALA 91 N 0.00 3.58 -0.30 2.24 0.00 -1.26 -5.01 121.76 121.01 1wfy s ALA 91 Ca 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 51.96 51.43 1wfy s ALA 91 Cb 0.00 -2.96 0.15 0.00 0.00 0.00 0.00 23.12 20.30 1wfy s ALA 91 CO 0.00 -0.66 0.87 0.15 0.00 0.00 0.00 175.76 176.12 1wfy s LYS 92 N 2.14 0.42 -0.03 0.00 -0.14 -1.26 -5.17 119.74 115.69 1wfy s LYS 92 Ca 0.26 0.96 -0.22 0.00 -1.36 0.00 0.00 55.97 55.60 1wfy s LYS 92 Cb -0.16 0.48 0.05 0.00 -1.68 0.00 0.00 37.83 36.52 1wfy s LYS 92 CO 0.09 -0.13 0.49 1.41 -0.76 0.00 0.00 175.35 176.45 1wfy s MET 93 N 2.33 0.85 0.00 1.68 1.75 -1.26 -5.04 119.30 119.61 1wfy s MET 93 Ca -0.05 0.04 0.00 0.00 -1.25 0.00 0.00 55.69 54.43 1wfy s MET 93 Cb -0.07 0.39 0.00 0.00 2.84 0.00 0.00 34.83 37.99 1wfy s MET 93 CO -0.18 -0.25 0.00 0.45 -0.65 0.00 0.00 175.02 174.39 1wfy n SER 94 N 1.13 0.00 -4.75 1.11 2.88 -1.26 -5.05 113.62 107.67 1wfy n SER 94 Ca -0.20 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 56.94 1wfy n SER 94 Cb 0.56 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.05 1wfy n SER 94 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wfy n GLU 95 N 0.00 2.13 -3.26 -1.46 1.02 -1.26 -4.98 120.64 112.83 1wfy n GLU 95 Ca 0.00 0.76 -0.02 0.00 -0.02 0.00 0.00 57.16 57.88 1wfy n GLU 95 Cb 0.00 -2.61 0.02 0.00 -0.02 0.00 0.00 31.44 28.83 1wfy n GLU 95 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wfy n ALA 96 N -0.38 -2.05 -1.02 0.62 0.00 -1.26 -5.16 120.51 111.27 1wfy n ALA 96 Ca 0.06 -0.75 0.03 0.00 0.00 0.00 0.00 53.44 52.78 1wfy n ALA 96 Cb 0.42 0.40 -0.02 0.00 0.00 0.00 0.00 19.45 20.25 1wfy n ALA 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wfy n ARG 97 N -0.55 -2.61 0.09 0.00 5.12 -1.26 -5.03 116.66 112.43 1wfy n ARG 97 Ca -0.01 2.05 0.00 0.00 -1.93 0.00 0.00 57.85 57.95 1wfy n ARG 97 Cb 0.43 -2.63 0.00 0.00 -1.16 0.00 0.00 32.46 29.10 1wfy n ARG 97 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1wfy n SER 98 N -2.55 0.51 -3.60 0.55 7.64 -1.26 -5.15 113.62 109.77 1wfy n SER 98 Ca -0.02 0.29 -0.04 0.00 1.01 0.00 0.00 58.87 60.11 1wfy n SER 98 Cb 0.35 -0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.53 1wfy n SER 98 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfy s SER 99 N -5.53 -0.14 -0.40 6.43 0.15 -1.26 -5.10 113.70 107.87 1wfy s SER 99 Ca 0.00 -0.01 0.09 0.00 0.70 0.00 0.00 55.95 56.73 1wfy s SER 99 Cb 0.00 0.15 0.27 0.00 -1.71 0.00 0.00 66.02 64.73 1wfy s SER 99 CO 0.00 -0.25 0.58 0.61 1.20 0.00 0.00 173.24 175.38 1wfy n GLY 100 N -0.12 3.11 3.57 9.45 0.00 -1.26 -5.05 105.19 114.90 1wfy n GLY 100 Ca -0.00 -1.65 -0.35 0.00 0.00 0.00 0.00 46.02 44.02 1wfy n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfy s PRO 101 N -1.52 3.20 -0.17 1.61 0.04 -1.26 -4.84 135.00 132.06 1wfy s PRO 101 Ca 0.36 -1.29 -0.28 0.00 0.04 0.00 0.00 61.00 59.83 1wfy s PRO 101 Cb 0.21 -5.33 0.09 0.00 0.04 0.00 0.00 34.50 29.51 1wfy s PRO 101 CO -0.10 -2.99 0.84 0.45 0.04 0.00 0.00 177.00 175.24 1wfy s SER 102 N 5.72 -0.57 -0.12 6.66 0.15 -1.26 -5.12 113.70 119.17 1wfy s SER 102 Ca 0.60 0.83 -0.34 0.00 0.70 0.00 0.00 55.95 57.74 1wfy s SER 102 Cb -0.00 0.75 -0.11 0.00 -1.71 0.00 0.00 66.02 64.95 1wfy s SER 102 CO 0.05 -0.38 1.94 -1.20 1.20 0.00 0.00 173.24 174.85 1wfy n SER 103 N 1.50 3.37 0.00 5.45 7.64 -1.26 -5.30 113.62 125.01 1wfy n SER 103 Ca -0.14 0.86 0.00 0.00 1.01 0.00 0.00 58.87 60.60 1wfy n SER 103 Cb 0.57 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 1wfy n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64