#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf5 n SER 2 N 0.00 -7.01 -1.18 1.61 7.64 -1.26 -5.02 113.62 108.39 1wf5 n SER 2 Ca 0.00 0.95 0.07 0.00 1.01 0.00 0.00 58.87 60.90 1wf5 n SER 2 Cb 0.00 -3.94 -0.04 0.00 -1.01 0.00 0.00 64.21 59.22 1wf5 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wf5 n SER 3 N -3.99 -6.37 0.00 6.43 7.64 -1.26 -5.09 113.62 110.98 1wf5 n SER 3 Ca -0.04 1.30 0.00 0.00 1.01 0.00 0.00 58.87 61.14 1wf5 n SER 3 Cb 0.56 -3.84 0.00 0.00 -1.01 0.00 0.00 64.21 59.92 1wf5 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wf5 n GLY 4 N -3.16 3.88 3.15 0.23 0.00 -1.26 -5.16 105.19 102.87 1wf5 n GLY 4 Ca -0.04 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.75 1wf5 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wf5 s SER 5 N 1.55 -0.15 -0.15 1.61 0.15 -1.26 -5.15 113.70 110.30 1wf5 s SER 5 Ca 0.00 0.03 -0.04 0.00 0.70 0.00 0.00 55.95 56.64 1wf5 s SER 5 Cb 0.00 1.10 0.07 0.00 -1.71 0.00 0.00 66.02 65.48 1wf5 s SER 5 CO 0.00 -0.03 0.19 -0.55 1.20 0.00 0.00 173.24 174.05 1wf5 s SER 6 N 2.98 1.15 0.00 5.45 0.15 -1.26 -5.07 113.70 117.11 1wf5 s SER 6 Ca 0.25 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.91 1wf5 s SER 6 Cb -0.02 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1wf5 s SER 6 CO -0.20 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.56 1wf5 n GLY 7 N 5.32 0.89 0.08 9.45 0.00 -1.26 -5.03 105.19 114.64 1wf5 n GLY 7 Ca -0.05 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 1wf5 n GLY 7 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1wf5 h ARG 8 N 0.00 0.00 0.00 1.61 1.12 -2.03 -3.49 114.38 111.59 1wf5 h ARG 8 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1wf5 h ARG 8 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 1wf5 h ARG 8 CO 0.00 0.52 0.00 0.45 -3.11 0.00 0.00 179.97 177.83 1wf5 n SER 9 N -4.57 -2.47 0.18 -3.80 2.88 -1.26 -5.06 113.62 99.52 1wf5 n SER 9 Ca -0.16 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 1wf5 n SER 9 Cb 0.41 2.48 0.00 0.00 -0.75 0.00 0.00 64.21 66.36 1wf5 n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wf5 n ALA 10 N -3.07 1.09 -0.78 -1.46 0.00 -1.26 -5.17 120.51 109.87 1wf5 n ALA 10 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1wf5 n ALA 10 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1wf5 n ALA 10 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1wf5 n HIS 11 N -3.34 -2.00 -3.25 0.00 -0.00 -1.26 -4.92 115.22 100.46 1wf5 n HIS 11 Ca 0.00 0.25 -0.13 0.00 0.46 0.00 0.00 57.72 58.30 1wf5 n HIS 11 Cb 0.00 -0.29 0.03 0.00 -0.12 0.00 0.00 29.99 29.61 1wf5 n HIS 11 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1wf5 n LEU 12 N 0.00 0.00 -4.64 0.27 4.32 -1.26 -5.00 117.00 110.69 1wf5 n LEU 12 Ca 0.00 -1.55 -0.63 0.00 -0.02 0.00 0.00 56.01 53.81 1wf5 n LEU 12 Cb 0.09 -0.18 -0.09 0.00 -1.62 0.00 0.00 43.42 41.62 1wf5 n LEU 12 CO 0.00 -0.57 0.92 0.54 -1.22 0.00 0.00 177.39 177.06 1wf5 n ARG 13 N -1.60 0.11 -5.08 3.23 1.74 -1.26 -4.93 116.66 108.88 1wf5 n ARG 13 Ca 0.06 0.04 -0.32 0.00 -0.77 0.00 0.00 57.85 56.86 1wf5 n ARG 13 Cb 0.36 -1.56 -0.15 0.00 -1.02 0.00 0.00 32.46 30.09 1wf5 n ARG 13 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1wf5 s VAL 14 N 1.72 2.47 -0.91 1.55 0.11 -1.26 -5.05 120.40 119.02 1wf5 s VAL 14 Ca 0.98 -0.91 -0.24 0.00 -2.93 0.00 0.00 61.98 58.88 1wf5 s VAL 14 Cb -1.36 -1.95 -0.02 0.00 -1.53 0.00 0.00 36.38 31.52 1wf5 s VAL 14 CO 0.70 0.56 1.78 -0.13 -3.33 0.00 0.00 175.10 174.68 1wf5 s ARG 15 N -0.12 2.87 0.42 1.54 0.52 -1.25 -4.01 118.95 118.91 1wf5 s ARG 15 Ca -0.03 -0.47 0.07 0.00 -0.52 0.00 0.00 55.73 54.78 1wf5 s ARG 15 Cb -0.14 -5.08 -0.05 0.00 0.52 0.00 0.00 34.95 30.20 1wf5 s ARG 15 CO 0.04 -2.98 0.16 1.14 0.02 0.00 0.00 175.30 173.68 1wf5 s GLN 16 N 6.41 2.20 0.47 3.54 -2.07 -0.15 -4.96 119.66 125.09 1wf5 s GLN 16 Ca 0.62 -1.90 -0.23 0.00 -1.82 0.00 0.00 55.36 52.03 1wf5 s GLN 16 Cb -0.05 -1.93 -0.07 0.00 -1.09 0.00 0.00 33.01 29.86 1wf5 s GLN 16 CO -0.02 -0.13 1.23 -0.51 -1.32 0.00 0.00 175.29 174.53 1wf5 s LEU 17 N -3.90 4.01 0.00 2.60 1.43 -1.26 -3.77 118.68 117.79 1wf5 s LEU 17 Ca 0.39 2.45 0.00 0.00 -1.03 0.00 0.00 54.13 55.94 1wf5 s LEU 17 Cb 0.04 -4.19 0.00 0.00 0.03 0.00 0.00 46.19 42.07 1wf5 s LEU 17 CO 0.21 -1.04 0.00 -0.81 0.23 0.00 0.00 176.35 174.94 1wf5 n PRO 18 N -0.50 -0.02 -4.35 1.29 -0.04 -1.26 -4.30 135.00 125.83 1wf5 n PRO 18 Ca 0.07 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.29 1wf5 n PRO 18 Cb 0.47 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.81 1wf5 n PRO 18 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1wf5 s HIS 19 N -0.68 1.98 0.91 0.54 3.76 -1.15 -4.65 115.29 116.01 1wf5 s HIS 19 Ca 0.00 -0.42 -0.11 0.00 -0.15 0.00 0.00 55.06 54.38 1wf5 s HIS 19 Cb 0.00 -1.02 0.14 0.00 1.11 0.00 0.00 32.58 32.82 1wf5 s HIS 19 CO 0.00 0.34 1.11 0.00 -0.85 0.00 0.00 174.74 175.34 1wf5 s ALA 20 N -1.63 1.38 0.03 -1.40 0.00 -1.25 -4.41 121.76 114.49 1wf5 s ALA 20 Ca 0.14 0.31 -0.30 0.00 0.00 0.00 0.00 51.96 52.11 1wf5 s ALA 20 Cb -0.08 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 1wf5 s ALA 20 CO 0.07 -2.62 1.18 -1.25 0.00 0.00 0.00 175.76 173.13 1wf5 s PRO 21 N -4.73 4.43 0.56 0.00 0.04 -1.26 -4.61 135.00 129.43 1wf5 s PRO 21 Ca 0.65 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1wf5 s PRO 21 Cb -0.21 -3.40 0.03 0.00 0.04 0.00 0.00 34.50 30.96 1wf5 s PRO 21 CO 0.58 -0.27 0.79 -1.21 0.04 0.00 0.00 177.00 176.93 1wf5 s GLU 22 N 1.27 2.56 -1.42 4.56 0.41 -1.24 -4.39 118.70 120.44 1wf5 s GLU 22 Ca 0.57 -0.70 -0.03 0.00 -0.41 0.00 0.00 54.97 54.41 1wf5 s GLU 22 Cb -0.28 -2.46 0.00 0.00 -1.78 0.00 0.00 34.13 29.61 1wf5 s GLU 22 CO 0.28 -0.72 0.33 0.72 -0.49 0.00 0.00 175.26 175.37 1wf5 n HIS 23 N -2.38 -1.54 -2.31 1.61 8.25 -1.26 0.28 115.22 117.88 1wf5 n HIS 23 Ca 0.07 0.66 -0.37 0.00 -0.26 0.00 0.00 57.72 57.82 1wf5 n HIS 23 Cb 0.60 -3.41 -0.03 0.00 1.12 0.00 0.00 29.99 28.26 1wf5 n HIS 23 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1wf5 s PRO 24 N -6.80 3.00 -0.04 -0.41 0.04 -1.26 -3.99 135.00 125.53 1wf5 s PRO 24 Ca 0.05 -0.26 -0.08 0.00 0.04 0.00 0.00 61.00 60.75 1wf5 s PRO 24 Cb -0.02 -4.74 -0.05 0.00 0.04 0.00 0.00 34.50 29.73 1wf5 s PRO 24 CO 0.92 -2.60 0.23 0.14 0.04 0.00 0.00 177.00 175.74 1wf5 s VAL 25 N 7.41 5.35 -0.24 -0.36 -7.23 -0.16 -4.56 120.40 120.61 1wf5 s VAL 25 Ca 0.54 0.26 -0.03 0.00 -1.81 0.00 0.00 61.98 60.94 1wf5 s VAL 25 Cb -0.07 -3.52 0.08 0.00 0.56 0.00 0.00 36.38 33.43 1wf5 s VAL 25 CO 0.06 0.49 0.09 0.00 -0.31 0.00 0.00 175.10 175.43 1wf5 s ALA 26 N -1.17 0.87 0.16 1.32 0.00 -1.26 -1.48 121.76 120.20 1wf5 s ALA 26 Ca 0.22 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.32 1wf5 s ALA 26 Cb -0.13 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 1wf5 s ALA 26 CO 0.11 -1.42 -0.17 0.95 0.00 0.00 0.00 175.76 175.23 1wf5 s THR 27 N 1.94 1.68 0.81 0.00 -4.23 0.08 -4.73 115.64 111.19 1wf5 s THR 27 Ca 0.05 -1.88 -0.12 0.00 -1.18 0.00 0.00 61.69 58.56 1wf5 s THR 27 Cb -0.17 -1.77 0.08 0.00 1.34 0.00 0.00 72.50 71.98 1wf5 s THR 27 CO -0.21 -0.36 1.14 -0.76 -0.54 0.00 0.00 174.62 173.89 1wf5 s LEU 28 N -2.64 2.47 -0.34 4.79 1.43 -1.26 0.28 118.68 123.40 1wf5 s LEU 28 Ca 0.14 0.99 -0.14 0.00 -1.03 0.00 0.00 54.13 54.09 1wf5 s LEU 28 Cb -0.05 -3.52 -0.01 0.00 0.03 0.00 0.00 46.19 42.63 1wf5 s LEU 28 CO 0.06 -1.97 0.32 -0.55 0.23 0.00 0.00 176.35 174.43 1wf5 s SER 29 N -4.27 6.13 0.00 2.29 0.15 0.14 -4.43 113.70 113.71 1wf5 s SER 29 Ca 0.61 -0.32 0.04 0.00 0.70 0.00 0.00 55.95 56.99 1wf5 s SER 29 Cb -0.13 -2.17 0.16 0.00 -1.71 0.00 0.00 66.02 62.17 1wf5 s SER 29 CO 0.52 -0.31 1.12 0.35 1.20 0.00 0.00 173.24 176.12 1wf5 n THR 30 N 5.19 0.14 0.00 6.45 -2.24 -1.26 -3.64 114.28 118.92 1wf5 n THR 30 Ca -0.10 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1wf5 n THR 30 Cb 0.49 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1wf5 n THR 30 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1wf5 n VAL 31 N -0.21 0.00 -3.95 2.28 0.24 -1.26 -5.04 118.33 110.39 1wf5 n VAL 31 Ca 0.04 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.99 1wf5 n VAL 31 Cb 0.09 -0.88 -0.08 0.00 -1.47 0.00 0.00 33.84 31.50 1wf5 n VAL 31 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1wf5 s GLU 32 N -1.93 3.63 0.43 7.34 -6.30 -1.24 -5.09 118.70 115.53 1wf5 s GLU 32 Ca 0.00 -0.24 -0.22 0.00 -2.50 0.00 0.00 54.97 52.01 1wf5 s GLU 32 Cb 0.00 -3.18 -0.10 0.00 0.00 0.00 0.00 34.13 30.85 1wf5 s GLU 32 CO 0.00 0.57 0.99 1.03 0.02 0.00 0.00 175.26 177.86 1wf5 s ARG 33 N -0.44 4.16 -1.52 4.30 1.81 -1.26 -3.73 118.95 122.27 1wf5 s ARG 33 Ca 0.11 1.27 -0.03 0.00 -1.72 0.00 0.00 55.73 55.35 1wf5 s ARG 33 Cb -0.12 -2.29 0.03 0.00 -0.45 0.00 0.00 34.95 32.12 1wf5 s ARG 33 CO 0.02 -0.11 0.29 0.54 -0.68 0.00 0.00 175.30 175.36 1wf5 n ARG 34 N -0.48 -2.18 -3.77 3.54 1.74 -1.26 -4.79 116.66 109.47 1wf5 n ARG 34 Ca 0.07 0.26 -0.13 0.00 -0.77 0.00 0.00 57.85 57.27 1wf5 n ARG 34 Cb 0.52 -4.20 -0.14 0.00 -1.02 0.00 0.00 32.46 27.62 1wf5 n ARG 34 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wf5 s ALA 35 N -4.04 -0.33 0.13 7.54 0.00 -1.24 -1.67 121.76 122.16 1wf5 s ALA 35 Ca 0.12 0.64 0.07 0.00 0.00 0.00 0.00 51.96 52.79 1wf5 s ALA 35 Cb -0.06 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1wf5 s ALA 35 CO 0.95 -0.14 -0.08 0.42 0.00 0.00 0.00 175.76 176.90 1wf5 s ILE 36 N 0.87 3.39 -0.21 0.00 1.01 -0.19 0.28 121.20 126.34 1wf5 s ILE 36 Ca -0.07 -1.36 -0.01 0.00 0.00 0.00 0.00 60.65 59.21 1wf5 s ILE 36 Cb -0.08 -2.62 0.01 0.00 0.01 0.00 0.00 42.46 39.78 1wf5 s ILE 36 CO -0.04 0.04 -0.11 0.20 0.00 0.00 0.00 174.94 175.02 1wf5 s ASN 37 N -2.43 3.83 -0.07 3.58 0.01 0.80 -1.32 114.94 119.34 1wf5 s ASN 37 Ca 0.23 -0.66 0.02 0.00 -0.71 0.00 0.00 52.86 51.74 1wf5 s ASN 37 Cb -0.10 -1.61 -0.02 0.00 0.41 0.00 0.00 41.25 39.92 1wf5 s ASN 37 CO 0.15 -0.05 -0.12 -0.22 -1.51 0.00 0.00 177.10 175.35 1wf5 s LEU 38 N 1.35 2.83 -0.06 0.60 2.96 0.20 -0.75 118.68 125.82 1wf5 s LEU 38 Ca 0.04 -0.18 -0.02 0.00 -0.22 0.00 0.00 54.13 53.74 1wf5 s LEU 38 Cb -0.15 -1.60 0.04 0.00 0.50 0.00 0.00 46.19 44.99 1wf5 s LEU 38 CO -0.08 0.31 0.11 0.42 -1.32 0.00 0.00 176.35 175.80 1wf5 s THR 39 N -0.51 -0.12 0.45 3.68 -4.23 -0.55 -0.71 115.64 113.64 1wf5 s THR 39 Ca 0.07 0.28 0.03 0.00 -1.18 0.00 0.00 61.69 60.89 1wf5 s THR 39 Cb -0.12 -0.21 -0.02 0.00 1.34 0.00 0.00 72.50 73.49 1wf5 s THR 39 CO 0.02 0.12 0.08 -1.66 -0.54 0.00 0.00 174.62 172.63 1wf5 s TRP 40 N 1.64 1.84 0.18 3.99 -2.14 0.44 -0.99 118.94 123.90 1wf5 s TRP 40 Ca -0.03 -1.14 0.04 0.00 2.66 0.00 0.00 56.10 57.63 1wf5 s TRP 40 Cb -0.12 -1.35 -0.03 0.00 -3.10 0.00 0.00 33.47 28.87 1wf5 s TRP 40 CO -0.05 -0.08 0.25 0.99 -2.66 0.00 0.00 176.95 175.41 1wf5 s THR 41 N -3.07 5.01 -0.41 0.66 2.01 0.14 -4.71 115.64 115.27 1wf5 s THR 41 Ca 0.18 -0.92 -0.29 0.00 0.31 0.00 0.00 61.69 60.96 1wf5 s THR 41 Cb 0.02 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.93 1wf5 s THR 41 CO 0.10 -0.17 1.25 -0.75 -0.69 0.00 0.00 174.62 174.36 1wf5 s LYS 42 N -3.43 3.75 1.04 4.92 2.36 -1.26 -3.68 119.74 123.44 1wf5 s LYS 42 Ca 0.33 0.86 -0.16 0.00 -2.55 0.00 0.00 55.97 54.45 1wf5 s LYS 42 Cb -0.10 -3.92 0.22 0.00 -1.05 0.00 0.00 37.83 32.98 1wf5 s LYS 42 CO 0.27 -1.34 1.20 -1.25 1.55 0.00 0.00 175.35 175.78 1wf5 s PRO 43 N 4.47 0.06 -0.09 4.03 0.04 -1.26 -4.97 135.00 137.28 1wf5 s PRO 43 Ca 0.53 -0.12 -0.28 0.00 0.04 0.00 0.00 61.00 61.17 1wf5 s PRO 43 Cb -0.11 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 1wf5 s PRO 43 CO 0.29 -2.85 0.91 0.12 0.04 0.00 0.00 177.00 175.51 1wf5 s PHE 44 N -3.42 3.54 0.17 0.56 2.19 -1.26 -4.92 117.98 114.85 1wf5 s PHE 44 Ca 0.70 1.49 -0.25 0.00 0.33 0.00 0.00 56.93 59.21 1wf5 s PHE 44 Cb -0.08 -3.07 -0.08 0.00 -1.31 0.00 0.00 43.02 38.48 1wf5 s PHE 44 CO 0.54 -0.12 0.77 0.16 1.83 0.00 0.00 175.22 178.40 1wf5 s ASP 45 N 1.04 7.35 -0.54 6.13 -4.77 -1.26 -2.93 116.67 121.70 1wf5 s ASP 45 Ca 0.45 1.62 -0.07 0.00 -3.30 0.00 0.00 52.55 51.26 1wf5 s ASP 45 Cb -0.18 -2.49 -0.19 0.00 -1.09 0.00 0.00 42.92 38.96 1wf5 s ASP 45 CO 0.19 0.19 3.23 0.61 0.70 0.00 0.00 175.17 180.09 1wf5 n GLY 46 N 1.48 3.30 2.50 2.12 0.00 -1.25 -4.45 105.19 108.90 1wf5 n GLY 46 Ca -0.05 -1.23 -0.19 0.00 0.00 0.00 0.00 46.02 44.55 1wf5 n GLY 46 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wf5 n ASN 47 N 2.93 -5.36 -4.02 1.61 3.02 -1.26 -0.98 115.26 111.20 1wf5 n ASN 47 Ca 0.52 0.34 -0.18 0.00 -0.03 0.00 0.00 54.58 55.24 1wf5 n ASN 47 Cb 0.64 -4.50 -0.14 0.00 -0.61 0.00 0.00 39.78 35.16 1wf5 n ASN 47 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1wf5 s SER 48 N -2.62 1.00 -0.20 6.41 0.15 -1.26 -4.72 113.70 112.46 1wf5 s SER 48 Ca 0.00 -0.22 -0.29 0.00 0.70 0.00 0.00 55.95 56.14 1wf5 s SER 48 Cb 0.00 -0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.21 1wf5 s SER 48 CO 0.00 0.06 1.29 -2.16 1.20 0.00 0.00 173.24 173.64 1wf5 s PRO 49 N -0.42 4.13 0.48 5.44 0.04 -1.26 -4.80 135.00 138.62 1wf5 s PRO 49 Ca 0.02 1.57 -0.20 0.00 0.04 0.00 0.00 61.00 62.43 1wf5 s PRO 49 Cb -0.04 -3.81 -0.13 0.00 0.04 0.00 0.00 34.50 30.56 1wf5 s PRO 49 CO -0.00 -0.84 0.20 1.28 0.04 0.00 0.00 177.00 177.68 1wf5 n LEU 50 N 6.96 -1.78 -0.01 -3.56 4.77 -1.26 -4.34 117.00 117.77 1wf5 n LEU 50 Ca 0.14 0.76 -0.05 0.00 -0.03 0.00 0.00 56.01 56.83 1wf5 n LEU 50 Cb 0.45 -0.98 -0.02 0.00 -2.33 0.00 0.00 43.42 40.55 1wf5 n LEU 50 CO 0.58 -3.90 -0.35 -0.38 -1.33 0.00 0.00 177.39 172.01 1wf5 n ILE 51 N -1.32 1.25 -3.85 -0.08 5.41 0.32 -4.82 119.36 116.28 1wf5 n ILE 51 Ca 0.10 0.24 -0.07 0.00 1.00 0.00 0.00 62.75 64.02 1wf5 n ILE 51 Cb 0.44 -1.87 -0.01 0.00 -0.71 0.00 0.00 39.64 37.50 1wf5 n ILE 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wf5 s ARG 52 N -2.35 1.89 -0.05 0.38 1.70 0.34 -4.08 118.95 116.78 1wf5 s ARG 52 Ca -0.12 -1.10 0.01 0.00 -0.47 0.00 0.00 55.73 54.05 1wf5 s ARG 52 Cb 0.02 0.61 0.02 0.00 -0.57 0.00 0.00 34.95 35.03 1wf5 s ARG 52 CO 0.18 -0.87 -0.07 0.71 -1.08 0.00 0.00 175.30 174.16 1wf5 s TYR 53 N -3.50 0.96 -0.64 5.89 1.51 -1.24 -0.29 117.35 120.05 1wf5 s TYR 53 Ca 0.12 -0.31 -0.21 0.00 -1.01 0.00 0.00 57.07 55.66 1wf5 s TYR 53 Cb -0.06 -0.79 0.09 0.00 -0.11 0.00 0.00 41.96 41.09 1wf5 s TYR 53 CO 0.08 -0.22 0.86 0.42 -1.11 0.00 0.00 175.55 175.59 1wf5 s ILE 54 N 0.84 4.54 -0.36 2.71 1.01 -1.22 -3.78 121.20 124.95 1wf5 s ILE 54 Ca -0.12 -0.67 -0.23 0.00 0.00 0.00 0.00 60.65 59.63 1wf5 s ILE 54 Cb -0.15 -4.61 0.01 0.00 0.01 0.00 0.00 42.46 37.72 1wf5 s ILE 54 CO 0.01 -1.33 0.77 -0.22 0.00 0.00 0.00 174.94 174.18 1wf5 s LEU 55 N 3.44 4.13 -0.11 2.97 1.98 -0.31 -2.90 118.68 127.89 1wf5 s LEU 55 Ca 0.18 0.37 -0.01 0.00 -2.89 0.00 0.00 54.13 51.78 1wf5 s LEU 55 Cb -0.19 -3.01 -0.03 0.00 0.66 0.00 0.00 46.19 43.62 1wf5 s LEU 55 CO 0.08 -0.71 -0.06 -1.61 -1.89 0.00 0.00 176.35 172.16 1wf5 s GLU 56 N 3.05 3.16 0.08 1.98 2.02 -0.56 -0.33 118.70 128.10 1wf5 s GLU 56 Ca 0.31 -0.53 0.06 0.00 0.02 0.00 0.00 54.97 54.82 1wf5 s GLU 56 Cb -0.13 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.33 1wf5 s GLU 56 CO 0.16 0.48 -0.09 1.41 0.02 0.00 0.00 175.26 177.24 1wf5 s MET 57 N -0.29 2.26 -0.49 1.61 -2.45 0.67 -0.21 119.30 120.40 1wf5 s MET 57 Ca 0.04 -0.93 0.03 0.00 -1.25 0.00 0.00 55.69 53.58 1wf5 s MET 57 Cb -0.13 -2.37 0.14 0.00 1.25 0.00 0.00 34.83 33.73 1wf5 s MET 57 CO 0.02 0.53 0.27 0.45 1.05 0.00 0.00 175.02 177.35 1wf5 s SER 58 N -1.99 3.93 0.00 1.11 0.15 -1.14 -0.33 113.70 115.43 1wf5 s SER 58 Ca 0.20 -2.87 0.00 0.00 0.70 0.00 0.00 55.95 53.98 1wf5 s SER 58 Cb -0.11 -1.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.91 1wf5 s SER 58 CO 0.12 -0.24 0.00 1.21 1.20 0.00 0.00 173.24 175.54 1wf5 n GLU 59 N 3.25 1.83 -1.68 5.44 2.13 -1.26 -2.54 120.64 127.80 1wf5 n GLU 59 Ca 0.09 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.51 1wf5 n GLU 59 Cb 0.34 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.02 1wf5 n GLU 59 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1wf5 s ASN 60 N -1.96 5.11 -0.70 4.31 0.01 -1.21 -2.18 114.94 118.33 1wf5 s ASN 60 Ca 0.00 1.37 0.00 0.00 -0.71 0.00 0.00 52.86 53.52 1wf5 s ASN 60 Cb 0.00 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.15 1wf5 s ASN 60 CO 0.00 -2.31 0.00 0.59 -1.51 0.00 0.00 177.10 173.87 1wf5 n ASN 61 N 13.18 -2.30 -4.83 -1.22 4.13 -1.26 -4.88 115.26 118.08 1wf5 n ASN 61 Ca 0.31 0.25 -0.35 0.00 1.68 0.00 0.00 54.58 56.47 1wf5 n ASN 61 Cb 0.50 -2.18 -0.06 0.00 -1.54 0.00 0.00 39.78 36.49 1wf5 n ASN 61 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wf5 s ALA 62 N -1.98 3.41 0.39 5.41 0.00 -0.92 -5.05 121.76 123.01 1wf5 s ALA 62 Ca 0.00 0.08 -0.25 0.00 0.00 0.00 0.00 51.96 51.79 1wf5 s ALA 62 Cb 0.00 -2.76 -0.09 0.00 0.00 0.00 0.00 23.12 20.27 1wf5 s ALA 62 CO 0.00 0.35 1.06 -1.25 0.00 0.00 0.00 175.76 175.92 1wf5 s PRO 63 N -2.32 4.21 -0.54 0.00 0.04 -1.26 -4.09 135.00 131.04 1wf5 s PRO 63 Ca 0.46 1.55 -0.39 0.00 0.04 0.00 0.00 61.00 62.66 1wf5 s PRO 63 Cb -0.14 -2.62 -0.17 0.00 0.04 0.00 0.00 34.50 31.61 1wf5 s PRO 63 CO 0.20 -0.11 2.25 0.91 0.04 0.00 0.00 177.00 180.30 1wf5 n TRP 64 N 0.08 1.19 -4.42 0.56 7.02 -1.26 -4.67 117.44 115.94 1wf5 n TRP 64 Ca 0.04 0.55 -0.34 0.00 -1.02 0.00 0.00 57.50 56.73 1wf5 n TRP 64 Cb 0.49 -2.38 -0.11 0.00 -2.42 0.00 0.00 31.31 26.88 1wf5 n TRP 64 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1wf5 s THR 65 N 7.07 3.96 -0.56 -0.99 -1.32 0.55 -4.85 115.64 119.51 1wf5 s THR 65 Ca 1.19 -0.35 -0.26 0.00 -1.21 0.00 0.00 61.69 61.06 1wf5 s THR 65 Cb -1.24 -2.71 -0.04 0.00 -1.51 0.00 0.00 72.50 67.01 1wf5 s THR 65 CO 0.57 0.53 2.03 -0.69 -2.21 0.00 0.00 174.62 174.85 1wf5 s VAL 66 N -0.04 3.25 -0.12 5.08 1.01 -1.26 -0.24 120.40 128.07 1wf5 s VAL 66 Ca 0.02 0.15 -0.14 0.00 0.00 0.00 0.00 61.98 62.01 1wf5 s VAL 66 Cb -0.13 -3.64 -0.12 0.00 0.00 0.00 0.00 36.38 32.49 1wf5 s VAL 66 CO 0.02 -0.61 0.33 -0.07 0.00 0.00 0.00 175.10 174.78 1wf5 h LEU 67 N 17.28 0.00 -7.83 3.92 3.38 -1.03 -3.44 115.31 127.59 1wf5 h LEU 67 Ca -0.26 -0.45 -0.66 0.00 0.09 0.00 0.00 57.88 56.60 1wf5 h LEU 67 Cb 1.20 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.57 1wf5 h LEU 67 CO 1.19 0.77 -0.79 -0.22 0.09 0.00 0.00 178.44 179.48 1wf5 s LEU 68 N -8.36 3.46 -0.00 1.67 0.20 -0.87 -5.01 118.68 109.77 1wf5 s LEU 68 Ca -0.10 -1.44 -0.00 0.00 0.69 0.00 0.00 54.13 53.28 1wf5 s LEU 68 Cb -0.01 -1.52 -0.00 0.00 -0.43 0.00 0.00 46.19 44.23 1wf5 s LEU 68 CO 0.33 -0.21 0.07 0.00 -0.29 0.00 0.00 176.35 176.25 1wf5 h ALA 69 N 7.78 -0.07 -1.43 5.97 0.00 -1.85 -0.80 119.26 128.86 1wf5 h ALA 69 Ca -0.18 -0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.17 1wf5 h ALA 69 Cb 1.04 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.74 1wf5 h ALA 69 CO 0.46 -0.07 0.94 -1.12 0.00 0.00 0.00 179.25 179.47 1wf5 s SER 70 N -2.94 6.17 0.15 0.00 0.01 -1.26 -4.13 113.70 111.70 1wf5 s SER 70 Ca -0.00 -0.55 0.08 0.00 1.31 0.00 0.00 55.95 56.79 1wf5 s SER 70 Cb 0.00 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 1wf5 s SER 70 CO 0.00 -1.74 -0.11 -0.69 0.41 0.00 0.00 173.24 171.10 1wf5 s VAL 71 N 5.35 3.16 0.15 3.43 1.01 -1.25 -4.95 120.40 127.30 1wf5 s VAL 71 Ca 0.32 -1.54 -0.31 0.00 0.00 0.00 0.00 61.98 60.46 1wf5 s VAL 71 Cb -0.10 -2.52 -0.08 0.00 0.00 0.00 0.00 36.38 33.67 1wf5 s VAL 71 CO 0.14 -0.02 1.38 -1.81 0.00 0.00 0.00 175.10 174.79 1wf5 s ASP 72 N -2.55 6.82 0.36 3.32 1.11 -1.26 -3.60 116.67 120.87 1wf5 s ASP 72 Ca 0.23 2.39 0.19 0.00 0.18 0.00 0.00 52.55 55.53 1wf5 s ASP 72 Cb -0.10 -2.60 0.50 0.00 1.07 0.00 0.00 42.92 41.80 1wf5 s ASP 72 CO 0.14 -0.63 1.65 1.55 1.18 0.00 0.00 175.17 179.06 1wf5 h PRO 73 N 6.22 0.00 -0.61 8.23 0.13 -1.88 -2.69 132.00 141.40 1wf5 h PRO 73 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1wf5 h PRO 73 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1wf5 h PRO 73 CO 0.83 0.38 0.00 1.63 -0.23 0.00 0.00 178.00 180.61 1wf5 n LYS 74 N -3.37 2.89 -4.32 0.86 5.02 -1.26 -4.87 118.16 113.11 1wf5 n LYS 74 Ca 0.01 -1.99 -0.34 0.00 -2.02 0.00 0.00 58.31 53.97 1wf5 n LYS 74 Cb 0.57 -1.70 -0.09 0.00 -0.02 0.00 0.00 35.03 33.80 1wf5 n LYS 74 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wf5 s ALA 75 N -1.74 3.33 -0.01 7.82 0.00 -1.02 -4.98 121.76 125.16 1wf5 s ALA 75 Ca 0.36 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1wf5 s ALA 75 Cb 0.23 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.87 1wf5 s ALA 75 CO 0.17 0.61 0.38 0.25 0.00 0.00 0.00 175.76 177.18 1wf5 n THR 76 N 1.90 0.00 -3.93 0.00 -2.24 -1.26 -4.93 114.28 103.82 1wf5 n THR 76 Ca -0.17 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.01 1wf5 n THR 76 Cb 0.53 1.00 -0.11 0.00 -2.10 0.00 0.00 70.33 69.66 1wf5 n THR 76 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wf5 s SER 77 N -0.24 0.13 0.05 3.42 1.04 -1.25 0.17 113.70 117.01 1wf5 s SER 77 Ca 0.00 -0.34 -0.03 0.00 0.48 0.00 0.00 55.95 56.06 1wf5 s SER 77 Cb 0.00 0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.24 1wf5 s SER 77 CO 0.00 -0.31 0.03 0.54 0.98 0.00 0.00 173.24 174.48 1wf5 s VAL 78 N -1.33 0.17 -0.12 5.02 0.11 0.11 -4.96 120.40 119.39 1wf5 s VAL 78 Ca -0.14 -1.42 0.00 0.00 -2.93 0.00 0.00 61.98 57.49 1wf5 s VAL 78 Cb -0.08 -1.15 -0.02 0.00 -1.53 0.00 0.00 36.38 33.60 1wf5 s VAL 78 CO 0.00 -0.78 -0.13 -0.89 -3.33 0.00 0.00 175.10 169.97 1wf5 s THR 79 N -3.22 3.06 -0.47 5.04 2.01 -1.26 -0.63 115.64 120.18 1wf5 s THR 79 Ca 0.00 -0.66 -0.10 0.00 0.31 0.00 0.00 61.69 61.24 1wf5 s THR 79 Cb 0.03 -2.28 0.11 0.00 0.01 0.00 0.00 72.50 70.37 1wf5 s THR 79 CO -0.07 0.53 0.34 -0.69 -0.69 0.00 0.00 174.62 174.04 1wf5 s VAL 80 N 0.27 4.27 0.28 3.82 1.01 -0.43 -4.90 120.40 124.73 1wf5 s VAL 80 Ca -0.09 -1.71 0.06 0.00 0.00 0.00 0.00 61.98 60.23 1wf5 s VAL 80 Cb -0.16 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1wf5 s VAL 80 CO 0.05 -0.74 0.39 -0.54 0.00 0.00 0.00 175.10 174.27 1wf5 s LYS 81 N 1.39 3.27 -0.33 2.72 1.02 -1.26 -1.02 119.74 125.52 1wf5 s LYS 81 Ca 0.05 -0.89 -0.01 0.00 0.02 0.00 0.00 55.97 55.14 1wf5 s LYS 81 Cb -0.26 -2.84 -0.01 0.00 -0.52 0.00 0.00 37.83 34.20 1wf5 s LYS 81 CO -0.00 0.28 0.29 0.41 -0.92 0.00 0.00 175.35 175.40 1wf5 n GLY 82 N -1.49 0.26 3.75 -3.33 0.00 -0.67 -4.98 105.19 98.73 1wf5 n GLY 82 Ca -0.05 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 1wf5 n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wf5 s LEU 83 N -3.59 3.59 0.15 0.99 1.43 -1.24 -5.09 118.68 114.92 1wf5 s LEU 83 Ca 0.09 -0.32 -0.21 0.00 -1.03 0.00 0.00 54.13 52.67 1wf5 s LEU 83 Cb -0.01 -2.17 -0.08 0.00 0.03 0.00 0.00 46.19 43.96 1wf5 s LEU 83 CO 0.22 0.03 0.67 -0.69 0.23 0.00 0.00 176.35 176.81 1wf5 s VAL 84 N -1.97 4.58 0.34 -1.59 1.01 -1.26 -4.87 120.40 116.63 1wf5 s VAL 84 Ca 0.31 1.37 -0.27 0.00 0.00 0.00 0.00 61.98 63.39 1wf5 s VAL 84 Cb -0.09 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 1wf5 s VAL 84 CO 0.22 0.44 1.07 -2.16 0.00 0.00 0.00 175.10 174.67 1wf5 s PRO 85 N -1.40 4.42 -1.22 2.72 0.04 -1.26 -3.58 135.00 134.71 1wf5 s PRO 85 Ca 0.35 1.65 -0.00 0.00 0.04 0.00 0.00 61.00 63.04 1wf5 s PRO 85 Cb -0.20 -2.88 -0.00 0.00 0.04 0.00 0.00 34.50 31.47 1wf5 s PRO 85 CO 0.22 0.05 0.93 0.00 0.04 0.00 0.00 177.00 178.24 1wf5 n ALA 86 N 0.58 -2.02 -3.16 8.56 0.00 -1.06 -4.86 120.51 118.55 1wf5 n ALA 86 Ca 0.02 -0.08 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 1wf5 n ALA 86 Cb 0.47 -2.32 -0.11 0.00 0.00 0.00 0.00 19.45 17.49 1wf5 n ALA 86 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wf5 s ARG 87 N -5.49 0.35 0.37 0.00 0.52 -1.24 -4.91 118.95 108.56 1wf5 s ARG 87 Ca 0.00 0.29 -0.23 0.00 -0.52 0.00 0.00 55.73 55.28 1wf5 s ARG 87 Cb -0.00 0.17 -0.10 0.00 0.52 0.00 0.00 34.95 35.53 1wf5 s ARG 87 CO 0.75 -0.05 0.93 -1.12 0.02 0.00 0.00 175.30 175.82 1wf5 s SER 88 N -0.05 7.11 -0.08 0.23 0.01 -1.26 -0.02 113.70 119.64 1wf5 s SER 88 Ca -0.02 1.72 -0.04 0.00 1.31 0.00 0.00 55.95 58.93 1wf5 s SER 88 Cb -0.02 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.70 1wf5 s SER 88 CO 0.01 -0.21 0.18 -0.31 0.41 0.00 0.00 173.24 173.31 1wf5 s TYR 89 N -1.91 -0.22 0.42 2.43 2.02 0.49 -3.32 117.35 117.27 1wf5 s TYR 89 Ca 0.56 0.58 0.07 0.00 -0.37 0.00 0.00 57.07 57.91 1wf5 s TYR 89 Cb -0.13 -0.03 -0.03 0.00 -0.40 0.00 0.00 41.96 41.36 1wf5 s TYR 89 CO 0.18 -0.18 0.30 -0.65 -1.57 0.00 0.00 175.55 173.63 1wf5 s GLN 90 N 1.13 2.40 -0.13 -0.62 -0.21 -1.05 -1.77 119.66 119.40 1wf5 s GLN 90 Ca -0.09 -1.68 -0.17 0.00 0.02 0.00 0.00 55.36 53.45 1wf5 s GLN 90 Cb -0.10 -2.21 0.04 0.00 1.00 0.00 0.00 33.01 31.74 1wf5 s GLN 90 CO -0.06 -0.18 0.45 -0.06 -2.12 0.00 0.00 175.29 173.32 1wf5 s PHE 91 N -2.53 -0.45 -0.30 0.91 0.08 -1.26 -2.87 117.98 111.56 1wf5 s PHE 91 Ca 0.45 1.02 -0.03 0.00 0.12 0.00 0.00 56.93 58.49 1wf5 s PHE 91 Cb -0.00 0.18 0.19 0.00 -0.57 0.00 0.00 43.02 42.82 1wf5 s PHE 91 CO 0.26 -0.31 0.79 -0.98 -0.10 0.00 0.00 175.22 174.87 1wf5 s ARG 92 N -0.24 0.39 0.22 0.44 1.70 0.71 -2.86 118.95 119.30 1wf5 s ARG 92 Ca -0.04 0.48 0.07 0.00 -0.47 0.00 0.00 55.73 55.76 1wf5 s ARG 92 Cb -0.03 0.24 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 1wf5 s ARG 92 CO 0.02 -0.63 0.14 -0.48 -1.08 0.00 0.00 175.30 173.27 1wf5 s LEU 93 N 2.89 3.68 0.42 -1.89 2.34 -1.26 -1.49 118.68 123.37 1wf5 s LEU 93 Ca 0.15 -0.28 0.04 0.00 0.06 0.00 0.00 54.13 54.10 1wf5 s LEU 93 Cb -0.09 -2.25 -0.04 0.00 -0.56 0.00 0.00 46.19 43.25 1wf5 s LEU 93 CO -0.22 0.01 0.05 0.00 -1.06 0.00 0.00 176.35 175.13 1wf5 s ALA 95 N -3.02 3.54 -0.14 0.00 0.00 -1.24 -3.41 121.76 117.49 1wf5 s ALA 95 Ca 0.24 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1wf5 s ALA 95 Cb 0.06 -2.27 0.02 0.00 0.00 0.00 0.00 23.12 20.92 1wf5 s ALA 95 CO 0.12 -0.21 -0.17 0.08 0.00 0.00 0.00 175.76 175.59 1wf5 s VAL 96 N 1.08 1.74 0.31 0.00 1.01 0.60 -0.08 120.40 125.07 1wf5 s VAL 96 Ca 0.07 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.32 1wf5 s VAL 96 Cb -0.14 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 1wf5 s VAL 96 CO 0.04 0.49 0.13 -0.46 0.00 0.00 0.00 175.10 175.31 1wf5 n ASN 97 N 4.44 0.84 -0.03 3.32 6.94 0.35 -0.51 115.26 130.61 1wf5 n ASN 97 Ca -0.19 -2.69 -0.10 0.00 -0.02 0.00 0.00 54.58 51.59 1wf5 n ASN 97 Cb 0.51 0.89 -0.03 0.00 -2.36 0.00 0.00 39.78 38.79 1wf5 n ASN 97 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1wf5 h ASP 98 N 1.32 -0.94 -0.95 0.53 3.58 -1.92 0.13 116.42 118.17 1wf5 h ASP 98 Ca -0.23 0.15 0.29 0.00 0.42 0.00 0.00 57.03 57.65 1wf5 h ASP 98 Cb 0.94 0.42 -0.15 0.00 1.72 0.00 0.00 39.33 42.26 1wf5 h ASP 98 CO 0.37 -0.33 0.39 -0.37 -2.88 0.00 0.00 179.24 176.42 1wf5 h VAL 99 N -0.33 0.27 0.00 2.25 -1.51 -1.93 -3.47 116.25 111.53 1wf5 h VAL 99 Ca 0.12 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.51 1wf5 h VAL 99 Cb 0.52 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 29.69 1wf5 h VAL 99 CO -0.39 0.04 0.00 0.61 -1.23 0.00 0.00 177.57 176.61 1wf5 n GLY 100 N -1.34 -0.14 3.58 5.19 0.00 0.45 -4.97 105.19 107.97 1wf5 n GLY 100 Ca 0.27 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 1wf5 n GLY 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wf5 s LYS 101 N -2.00 2.12 0.00 1.61 2.20 -1.26 0.13 119.74 122.54 1wf5 s LYS 101 Ca 0.00 -1.07 0.00 0.00 -0.36 0.00 0.00 55.97 54.54 1wf5 s LYS 101 Cb 0.00 -2.28 0.00 0.00 -1.51 0.00 0.00 37.83 34.04 1wf5 s LYS 101 CO 0.00 0.49 0.00 0.41 -0.36 0.00 0.00 175.35 175.89 1wf5 n GLY 102 N 0.54 0.38 3.27 5.54 0.00 0.89 -4.78 105.19 111.03 1wf5 n GLY 102 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 1wf5 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wf5 s GLN 103 N 2.90 1.13 0.15 1.61 0.00 -1.26 -4.91 119.66 119.28 1wf5 s GLN 103 Ca 0.00 -1.51 -0.12 0.00 -0.00 0.00 0.00 55.36 53.73 1wf5 s GLN 103 Cb 0.00 -0.57 -0.07 0.00 0.00 0.00 0.00 33.01 32.38 1wf5 s GLN 103 CO 0.00 0.01 0.51 -0.06 0.00 0.00 0.00 175.29 175.74 1wf5 s PHE 104 N -3.40 3.55 0.65 9.60 0.40 -1.26 -3.68 117.98 123.85 1wf5 s PHE 104 Ca 0.20 0.93 -0.14 0.00 -0.60 0.00 0.00 56.93 57.31 1wf5 s PHE 104 Cb 0.04 -2.27 -0.00 0.00 0.51 0.00 0.00 43.02 41.29 1wf5 s PHE 104 CO 0.03 0.41 1.09 -1.54 0.70 0.00 0.00 175.22 175.91 1wf5 s SER 105 N -1.92 5.25 1.05 1.36 1.04 -0.40 -4.89 113.70 115.19 1wf5 s SER 105 Ca 0.39 1.91 -0.15 0.00 0.48 0.00 0.00 55.95 58.58 1wf5 s SER 105 Cb -0.14 -2.54 0.11 0.00 0.10 0.00 0.00 66.02 63.55 1wf5 s SER 105 CO 0.20 -1.53 0.34 2.29 0.98 0.00 0.00 173.24 175.51 1wf5 n LYS 106 N -2.47 -1.17 -2.22 4.02 -0.00 -1.26 -4.59 118.16 110.46 1wf5 n LYS 106 Ca 0.10 -0.31 -0.43 0.00 -0.00 0.00 0.00 58.31 57.67 1wf5 n LYS 106 Cb 0.52 -1.85 -0.02 0.00 -0.00 0.00 0.00 35.03 33.67 1wf5 n LYS 106 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1wf5 s ASP 107 N -2.02 6.13 0.64 -5.58 -4.77 -1.26 -4.67 116.67 105.13 1wf5 s ASP 107 Ca 0.58 0.92 -0.17 0.00 -3.30 0.00 0.00 52.55 50.58 1wf5 s ASP 107 Cb -0.17 -2.54 -0.04 0.00 -1.09 0.00 0.00 42.92 39.08 1wf5 s ASP 107 CO 0.66 -1.59 0.89 0.35 0.70 0.00 0.00 175.17 176.18 1wf5 n THR 108 N 7.18 3.35 -1.62 2.11 -2.24 -1.14 -4.71 114.28 117.21 1wf5 n THR 108 Ca 0.18 -0.47 -0.64 0.00 -2.27 0.00 0.00 64.05 60.86 1wf5 n THR 108 Cb 0.48 -1.06 -0.09 0.00 -2.10 0.00 0.00 70.33 67.55 1wf5 n THR 108 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1wf5 n GLU 109 N -1.12 0.00 -1.40 -0.78 2.13 -1.26 -4.56 120.64 113.65 1wf5 n GLU 109 Ca 0.13 0.00 -0.60 0.00 0.66 0.00 0.00 57.16 57.36 1wf5 n GLU 109 Cb 0.48 -1.41 -0.10 0.00 0.27 0.00 0.00 31.44 30.68 1wf5 n GLU 109 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1wf5 n ARG 110 N 3.89 0.00 -3.45 5.31 0.63 -1.26 -4.77 116.66 117.01 1wf5 n ARG 110 Ca 0.30 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.85 1wf5 n ARG 110 Cb -0.06 -1.40 -0.08 0.00 0.45 0.00 0.00 32.46 31.37 1wf5 n ARG 110 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1wf5 s VAL 111 N 4.21 5.24 -0.11 5.15 1.01 -0.73 -4.93 120.40 130.25 1wf5 s VAL 111 Ca 1.05 0.60 -0.03 0.00 0.00 0.00 0.00 61.98 63.60 1wf5 s VAL 111 Cb -1.40 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 31.26 1wf5 s VAL 111 CO 0.69 0.28 0.02 -0.94 0.00 0.00 0.00 175.10 175.15 1wf5 s SER 112 N 1.00 5.33 0.41 3.32 1.04 -1.26 0.19 113.70 123.73 1wf5 s SER 112 Ca 0.17 0.13 -0.22 0.00 0.48 0.00 0.00 55.95 56.51 1wf5 s SER 112 Cb -0.14 -1.62 -0.10 0.00 0.10 0.00 0.00 66.02 64.25 1wf5 s SER 112 CO 0.07 0.33 0.96 -0.76 0.98 0.00 0.00 173.24 174.83 1wf5 s LEU 113 N -0.60 4.03 -0.11 2.42 2.01 0.97 -4.92 118.68 122.48 1wf5 s LEU 113 Ca 0.10 1.77 -0.30 0.00 0.01 0.00 0.00 54.13 55.71 1wf5 s LEU 113 Cb -0.12 -4.41 -0.02 0.00 0.01 0.00 0.00 46.19 41.65 1wf5 s LEU 113 CO 0.02 -0.35 1.25 -2.16 1.01 0.00 0.00 176.35 176.12 1wf5 s PRO 114 N -2.91 4.29 -0.44 1.29 0.04 -1.26 -2.57 135.00 133.45 1wf5 s PRO 114 Ca 0.60 1.69 -0.27 0.00 0.04 0.00 0.00 61.00 63.06 1wf5 s PRO 114 Cb -0.13 -3.66 -0.05 0.00 0.04 0.00 0.00 34.50 30.70 1wf5 s PRO 114 CO 0.17 -0.58 2.20 -2.00 0.04 0.00 0.00 177.00 176.82 1wf5 s GLU 115 N 2.86 2.56 0.60 4.56 -6.30 -1.26 -3.79 118.70 117.93 1wf5 s GLU 115 Ca 0.56 1.40 -0.18 0.00 -2.50 0.00 0.00 54.97 54.25 1wf5 s GLU 115 Cb -0.24 -4.46 -0.13 0.00 0.00 0.00 0.00 34.13 29.31 1wf5 s GLU 115 CO 0.19 -2.77 -0.02 -1.13 0.02 0.00 0.00 175.26 171.56 1wf5 n SER 116 N 13.79 -3.20 -4.23 -1.70 3.41 -1.26 -4.94 113.62 115.48 1wf5 n SER 116 Ca 0.31 0.61 -0.28 0.00 -0.26 0.00 0.00 58.87 59.24 1wf5 n SER 116 Cb 0.51 -0.94 -0.16 0.00 -0.26 0.00 0.00 64.21 63.37 1wf5 n SER 116 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wf5 s GLY 117 N -1.08 1.10 -1.20 5.00 0.00 -1.26 -5.03 107.32 104.84 1wf5 s GLY 117 Ca 0.58 -0.93 -0.09 0.00 0.00 0.00 0.00 44.72 44.28 1wf5 s GLY 117 CO 0.65 -0.70 2.42 -1.55 0.00 0.00 0.00 173.10 173.92 1wf5 n PRO 118 N 2.70 2.69 -2.88 2.90 -0.04 -1.26 -4.59 135.00 134.52 1wf5 n PRO 118 Ca -0.16 -1.84 -0.01 0.00 -0.04 0.00 0.00 63.50 61.46 1wf5 n PRO 118 Cb 0.52 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 1wf5 n PRO 118 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wf5 n SER 119 N 4.35 -7.58 -4.67 3.54 2.88 -1.26 -4.88 113.62 106.01 1wf5 n SER 119 Ca 0.58 1.09 -0.43 0.00 -1.33 0.00 0.00 58.87 58.78 1wf5 n SER 119 Cb 0.21 -4.16 -0.03 0.00 -0.75 0.00 0.00 64.21 59.48 1wf5 n SER 119 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wf5 s SER 120 N -1.46 7.12 0.00 -3.46 1.04 -1.26 -5.33 113.70 110.34 1wf5 s SER 120 Ca 0.01 1.39 0.00 0.00 0.48 0.00 0.00 55.95 57.83 1wf5 s SER 120 Cb -0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1wf5 s SER 120 CO 0.55 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.82