#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 -0.99 -3.55 1.61 3.41 -1.26 -5.16 113.62 107.68 1wf5 n SER 2 Ca 0.00 0.53 -0.10 0.00 -0.26 0.00 0.00 58.87 59.04 1wf5 n SER 2 Cb 0.00 1.25 -0.02 0.00 -0.26 0.00 0.00 64.21 65.18 1wf5 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wf5 s SER 3 N -2.00 -0.46 0.00 4.04 0.01 -1.26 -5.18 113.70 108.85 1wf5 s SER 3 Ca 0.00 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.08 1wf5 s SER 3 Cb 0.00 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.85 1wf5 s SER 3 CO 0.00 -1.06 0.00 0.61 0.41 0.00 0.00 173.24 173.20 1wf5 n GLY 4 N -0.40 2.27 3.64 3.44 0.00 -1.26 -5.19 105.19 107.70 1wf5 n GLY 4 Ca -0.13 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 1wf5 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf5 s SER 5 N 0.00 -0.36 -0.28 1.61 0.01 -1.26 -5.18 113.70 108.24 1wf5 s SER 5 Ca 0.00 -0.27 -0.30 0.00 1.31 0.00 0.00 55.95 56.69 1wf5 s SER 5 Cb 0.00 0.58 0.19 0.00 0.21 0.00 0.00 66.02 67.00 1wf5 s SER 5 CO 0.00 -1.01 1.34 -0.44 0.41 0.00 0.00 173.24 173.54 1wf5 s SER 6 N -2.79 -0.05 0.00 2.44 0.01 -1.26 -5.19 113.70 106.85 1wf5 s SER 6 Ca 0.07 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.38 1wf5 s SER 6 Cb -0.03 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.25 1wf5 s SER 6 CO -0.03 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1wf5 n GLY 7 N 0.47 4.98 3.54 3.44 0.00 -1.26 -5.18 105.19 111.18 1wf5 n GLY 7 Ca -0.00 -1.67 -0.26 0.00 0.00 0.00 0.00 46.02 44.10 1wf5 n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wf5 s ARG 8 N -0.42 1.81 0.26 1.61 3.03 -1.26 -5.05 118.95 118.93 1wf5 s ARG 8 Ca 0.00 -1.94 0.00 0.00 2.03 0.00 0.00 55.73 55.82 1wf5 s ARG 8 Cb 0.00 -1.63 0.00 0.00 -1.03 0.00 0.00 34.95 32.29 1wf5 s ARG 8 CO 0.00 0.11 0.00 0.43 -1.13 0.00 0.00 175.30 174.71 1wf5 n SER 9 N -0.79 -1.07 -1.28 -2.89 7.64 -1.26 -5.16 113.62 108.81 1wf5 n SER 9 Ca -0.05 0.46 0.16 0.00 1.01 0.00 0.00 58.87 60.45 1wf5 n SER 9 Cb 0.64 1.15 -0.05 0.00 -1.01 0.00 0.00 64.21 64.94 1wf5 n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wf5 n ALA 10 N -3.22 -3.51 0.18 -0.43 0.00 -1.26 -5.01 120.51 107.26 1wf5 n ALA 10 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1wf5 n ALA 10 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 -3.84 -4.21 -0.09 0.00 -0.00 -1.26 -5.01 115.22 100.81 1wf5 n HIS 11 Ca -0.02 1.27 -0.09 0.00 0.46 0.00 0.00 57.72 59.34 1wf5 n HIS 11 Cb 0.65 3.26 -0.03 0.00 -0.12 0.00 0.00 29.99 33.75 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 -3.27 1.91 -4.51 0.27 4.77 -1.26 -4.99 117.00 109.91 1wf5 n LEU 12 Ca 0.00 0.40 -0.31 0.00 -0.03 0.00 0.00 56.01 56.07 1wf5 n LEU 12 Cb 0.00 -0.78 -0.12 0.00 -2.33 0.00 0.00 43.42 40.20 1wf5 n LEU 12 CO 0.00 -0.29 -0.45 -0.13 -1.33 0.00 0.00 177.39 175.19 1wf5 s ARG 13 N -2.74 2.30 -0.12 3.23 3.00 -1.26 -5.10 118.95 118.26 1wf5 s ARG 13 Ca -0.26 -0.85 -0.23 0.00 0.00 0.00 0.00 55.73 54.39 1wf5 s ARG 13 Cb 0.04 -2.33 -0.03 0.00 0.00 0.00 0.00 34.95 32.63 1wf5 s ARG 13 CO 0.38 0.57 0.71 0.54 0.00 0.00 0.00 175.30 177.50 1wf5 s VAL 14 N -0.94 5.01 -0.85 3.52 0.11 -1.26 -4.79 120.40 121.20 1wf5 s VAL 14 Ca 0.15 1.41 -0.22 0.00 -2.93 0.00 0.00 61.98 60.39 1wf5 s VAL 14 Cb -0.11 -4.03 0.07 0.00 -1.53 0.00 0.00 36.38 30.79 1wf5 s VAL 14 CO 0.06 0.17 1.20 -0.13 -3.33 0.00 0.00 175.10 173.07 1wf5 s ARG 15 N 1.39 3.40 0.53 1.54 0.52 -1.26 -4.47 118.95 120.59 1wf5 s ARG 15 Ca 0.35 -1.06 -0.01 0.00 -0.52 0.00 0.00 55.73 54.49 1wf5 s ARG 15 Cb -0.17 -4.73 0.02 0.00 0.52 0.00 0.00 34.95 30.59 1wf5 s ARG 15 CO 0.15 -1.98 0.77 -0.65 0.02 0.00 0.00 175.30 173.61 1wf5 s GLN 16 N 4.25 2.76 0.02 3.54 1.11 -0.48 -4.93 119.66 125.94 1wf5 s GLN 16 Ca 0.34 -0.54 -0.14 0.00 0.01 0.00 0.00 55.36 55.04 1wf5 s GLN 16 Cb -0.07 -2.46 -0.06 0.00 -1.01 0.00 0.00 33.01 29.41 1wf5 s GLN 16 CO -0.00 -0.58 0.41 -0.51 0.01 0.00 0.00 175.29 174.62 1wf5 s LEU 17 N -4.75 4.45 0.82 2.90 1.43 -1.26 -3.74 118.68 118.54 1wf5 s LEU 17 Ca 0.54 0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 54.47 1wf5 s LEU 17 Cb -0.10 -2.67 0.08 0.00 0.03 0.00 0.00 46.19 43.53 1wf5 s LEU 17 CO 0.39 0.30 1.10 -2.16 0.23 0.00 0.00 176.35 176.21 1wf5 s PRO 18 N -1.23 1.92 0.24 1.29 0.04 -1.26 -4.18 135.00 131.82 1wf5 s PRO 18 Ca 0.26 0.58 0.07 0.00 0.04 0.00 0.00 61.00 61.94 1wf5 s PRO 18 Cb -0.16 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1wf5 s PRO 18 CO 0.14 -1.72 0.20 -1.01 0.04 0.00 0.00 177.00 174.65 1wf5 s HIS 19 N -3.18 3.13 0.96 0.56 3.76 -1.02 -3.59 115.29 115.91 1wf5 s HIS 19 Ca 0.61 -0.10 -0.11 0.00 -0.15 0.00 0.00 55.06 55.31 1wf5 s HIS 19 Cb -0.14 -1.42 0.17 0.00 1.11 0.00 0.00 32.58 32.29 1wf5 s HIS 19 CO 0.54 0.52 1.09 0.00 -0.85 0.00 0.00 174.74 176.04 1wf5 s ALA 20 N -2.09 1.09 0.56 -1.40 0.00 -1.19 -4.33 121.76 114.40 1wf5 s ALA 20 Ca 0.33 0.11 -0.17 0.00 0.00 0.00 0.00 51.96 52.23 1wf5 s ALA 20 Cb -0.08 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 1wf5 s ALA 20 CO 0.25 -2.78 1.04 -1.25 0.00 0.00 0.00 175.76 173.03 1wf5 s PRO 21 N -4.74 3.51 0.51 0.00 0.04 -1.26 -4.64 135.00 128.42 1wf5 s PRO 21 Ca 0.65 1.22 0.07 0.00 0.04 0.00 0.00 61.00 62.98 1wf5 s PRO 21 Cb -0.21 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.31 1wf5 s PRO 21 CO 0.59 -0.66 0.49 -1.21 0.04 0.00 0.00 177.00 176.26 1wf5 s GLU 22 N -3.86 2.35 -0.87 4.56 2.02 -1.25 -4.54 118.70 117.11 1wf5 s GLU 22 Ca 0.64 -1.78 -0.15 0.00 0.02 0.00 0.00 54.97 53.69 1wf5 s GLU 22 Cb -0.15 -2.32 0.02 0.00 0.10 0.00 0.00 34.13 31.78 1wf5 s GLU 22 CO 0.32 -0.56 0.29 -2.39 0.02 0.00 0.00 175.26 172.94 1wf5 n HIS 23 N -1.82 -0.86 -2.32 1.61 1.44 -1.26 -2.07 115.22 109.93 1wf5 n HIS 23 Ca 0.04 0.16 -0.35 0.00 -2.01 0.00 0.00 57.72 55.55 1wf5 n HIS 23 Cb 0.63 -1.80 -0.03 0.00 0.12 0.00 0.00 29.99 28.90 1wf5 n HIS 23 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1wf5 s PRO 24 N -6.37 3.22 0.01 -1.40 0.04 -1.26 -4.22 135.00 125.02 1wf5 s PRO 24 Ca 0.21 -1.45 -0.08 0.00 0.04 0.00 0.00 61.00 59.72 1wf5 s PRO 24 Cb -0.12 -5.37 -0.05 0.00 0.04 0.00 0.00 34.50 29.01 1wf5 s PRO 24 CO 0.64 -3.07 0.30 0.08 0.04 0.00 0.00 177.00 175.00 1wf5 s VAL 25 N 7.58 5.25 -0.22 -0.36 1.01 -0.00 -4.42 120.40 129.24 1wf5 s VAL 25 Ca 0.61 0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.86 1wf5 s VAL 25 Cb 0.01 -3.58 0.07 0.00 0.00 0.00 0.00 36.38 32.88 1wf5 s VAL 25 CO 0.08 0.40 0.07 0.00 0.00 0.00 0.00 175.10 175.65 1wf5 s ALA 26 N -1.27 0.91 0.02 5.51 0.00 -1.26 -0.72 121.76 124.95 1wf5 s ALA 26 Ca 0.27 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.40 1wf5 s ALA 26 Cb -0.14 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 1wf5 s ALA 26 CO 0.15 -1.34 0.02 0.95 0.00 0.00 0.00 175.76 175.54 1wf5 s THR 27 N 1.92 4.25 1.28 0.00 -4.23 -0.60 -4.85 115.64 113.41 1wf5 s THR 27 Ca 0.03 -0.64 -0.19 0.00 -1.18 0.00 0.00 61.69 59.71 1wf5 s THR 27 Cb -0.17 -2.93 0.30 0.00 1.34 0.00 0.00 72.50 71.04 1wf5 s THR 27 CO -0.16 0.32 0.68 0.18 -0.54 0.00 0.00 174.62 175.10 1wf5 n LEU 28 N 1.17 -0.94 -3.23 4.79 4.77 -1.26 0.23 117.00 122.53 1wf5 n LEU 28 Ca -0.13 -0.60 -0.27 0.00 -0.03 0.00 0.00 56.01 54.98 1wf5 n LEU 28 Cb 0.52 -0.96 -0.06 0.00 -2.33 0.00 0.00 43.42 40.59 1wf5 n LEU 28 CO 0.36 -3.97 0.09 -0.24 -1.33 0.00 0.00 177.39 172.29 1wf5 n SER 29 N -4.11 3.85 -0.62 -1.43 2.88 -0.16 -3.68 113.62 110.34 1wf5 n SER 29 Ca 0.09 -3.50 0.48 0.00 -1.33 0.00 0.00 58.87 54.61 1wf5 n SER 29 Cb 0.52 -0.63 0.74 0.00 -0.75 0.00 0.00 64.21 64.09 1wf5 n SER 29 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1wf5 n THR 30 N 0.44 0.00 -0.01 2.46 -2.24 -1.26 0.20 114.28 113.87 1wf5 n THR 30 Ca 0.30 1.39 -0.11 0.00 -2.27 0.00 0.00 64.05 63.36 1wf5 n THR 30 Cb 0.41 -2.34 -0.09 0.00 -2.10 0.00 0.00 70.33 66.22 1wf5 n THR 30 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1wf5 h VAL 31 N 0.00 1.19 -3.74 2.28 -1.51 -1.96 -3.43 116.25 109.08 1wf5 h VAL 31 Ca 0.85 -1.53 -0.63 0.00 -1.23 0.00 0.00 66.70 64.16 1wf5 h VAL 31 Cb 3.51 2.09 -0.15 0.00 -2.13 0.00 0.00 31.29 34.61 1wf5 h VAL 31 CO -0.01 0.34 -0.42 -1.61 -1.23 0.00 0.00 177.57 174.65 1wf5 s GLU 32 N -3.01 4.02 0.07 5.19 0.41 0.53 -5.05 118.70 120.85 1wf5 s GLU 32 Ca -0.14 -0.17 -0.31 0.00 -0.41 0.00 0.00 54.97 53.94 1wf5 s GLU 32 Cb -0.01 -3.62 -0.07 0.00 -1.78 0.00 0.00 34.13 28.66 1wf5 s GLU 32 CO 0.54 -0.13 1.32 1.03 -0.49 0.00 0.00 175.26 177.53 1wf5 s ARG 33 N 1.62 4.36 -0.63 1.61 1.81 -1.25 -2.84 118.95 123.62 1wf5 s ARG 33 Ca 0.10 1.93 -0.04 0.00 -1.72 0.00 0.00 55.73 56.01 1wf5 s ARG 33 Cb -0.15 -3.35 0.00 0.00 -0.45 0.00 0.00 34.95 31.01 1wf5 s ARG 33 CO 0.09 -0.40 0.52 0.54 -0.68 0.00 0.00 175.30 175.38 1wf5 n ARG 34 N 4.21 -3.55 -4.13 3.54 1.74 -1.26 -4.81 116.66 112.41 1wf5 n ARG 34 Ca 0.11 0.39 -0.09 0.00 -0.77 0.00 0.00 57.85 57.49 1wf5 n ARG 34 Cb 0.44 -4.08 -0.10 0.00 -1.02 0.00 0.00 32.46 27.70 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 -3.12 0.72 -0.02 7.54 0.00 -1.13 -2.50 121.76 123.25 1wf5 s ALA 35 Ca 0.26 -1.28 -0.00 0.00 0.00 0.00 0.00 51.96 50.93 1wf5 s ALA 35 Cb -0.11 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.30 1wf5 s ALA 35 CO 0.32 -0.33 0.03 0.42 0.00 0.00 0.00 175.76 176.20 1wf5 s ILE 36 N -3.82 -0.05 -0.54 0.00 1.01 -0.70 -0.99 121.20 116.12 1wf5 s ILE 36 Ca 0.10 0.17 -0.23 0.00 0.00 0.00 0.00 60.65 60.69 1wf5 s ILE 36 Cb 0.07 -0.07 0.05 0.00 0.01 0.00 0.00 42.46 42.52 1wf5 s ILE 36 CO -0.07 0.07 0.85 0.20 0.00 0.00 0.00 174.94 175.98 1wf5 s ASN 37 N 0.84 6.30 -0.02 3.58 0.01 0.62 -1.23 114.94 125.03 1wf5 s ASN 37 Ca -0.07 -0.54 -0.24 0.00 -0.71 0.00 0.00 52.86 51.30 1wf5 s ASN 37 Cb -0.10 -2.39 -0.04 0.00 0.41 0.00 0.00 41.25 39.12 1wf5 s ASN 37 CO -0.02 -1.13 0.73 -0.22 -1.51 0.00 0.00 177.10 174.94 1wf5 s LEU 38 N 3.55 4.37 -0.03 0.60 1.98 0.55 -1.56 118.68 128.14 1wf5 s LEU 38 Ca 0.25 1.29 0.00 0.00 -2.89 0.00 0.00 54.13 52.79 1wf5 s LEU 38 Cb -0.15 -3.14 0.03 0.00 0.66 0.00 0.00 46.19 43.59 1wf5 s LEU 38 CO 0.17 -0.06 0.00 0.42 -1.89 0.00 0.00 176.35 174.99 1wf5 s THR 39 N 0.46 0.18 0.30 3.68 -4.23 0.10 -0.46 115.64 115.67 1wf5 s THR 39 Ca 0.38 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 1wf5 s THR 39 Cb -0.19 -0.29 -0.02 0.00 1.34 0.00 0.00 72.50 73.35 1wf5 s THR 39 CO 0.20 0.15 0.33 -1.66 -0.54 0.00 0.00 174.62 173.11 1wf5 s TRP 40 N 1.11 1.24 0.17 3.99 -2.14 0.10 -0.82 118.94 122.60 1wf5 s TRP 40 Ca -0.08 -1.38 0.04 0.00 2.66 0.00 0.00 56.10 57.34 1wf5 s TRP 40 Cb -0.13 -0.37 -0.04 0.00 -3.10 0.00 0.00 33.47 29.83 1wf5 s TRP 40 CO -0.02 -0.92 0.20 0.99 -2.66 0.00 0.00 176.95 174.54 1wf5 s THR 41 N -3.53 4.78 -0.40 0.66 2.01 -0.88 -4.66 115.64 113.63 1wf5 s THR 41 Ca 0.35 -0.99 -0.29 0.00 0.31 0.00 0.00 61.69 61.07 1wf5 s THR 41 Cb 0.02 -3.47 0.02 0.00 0.01 0.00 0.00 72.50 69.08 1wf5 s THR 41 CO 0.20 -0.14 1.15 -0.75 -0.69 0.00 0.00 174.62 174.38 1wf5 s LYS 42 N -3.27 3.87 1.03 4.92 2.36 -1.26 -3.83 119.74 123.55 1wf5 s LYS 42 Ca 0.32 0.85 -0.16 0.00 -2.55 0.00 0.00 55.97 54.43 1wf5 s LYS 42 Cb -0.10 -3.85 0.21 0.00 -1.05 0.00 0.00 37.83 33.05 1wf5 s LYS 42 CO 0.25 -1.18 1.20 -1.25 1.55 0.00 0.00 175.35 175.92 1wf5 s PRO 43 N 4.15 0.12 -0.09 4.03 0.04 -1.26 -4.97 135.00 137.03 1wf5 s PRO 43 Ca 0.49 -0.10 -0.24 0.00 0.04 0.00 0.00 61.00 61.19 1wf5 s PRO 43 Cb -0.10 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 1wf5 s PRO 43 CO 0.25 -2.81 0.75 0.12 0.04 0.00 0.00 177.00 175.34 1wf5 s PHE 44 N -3.41 3.54 0.37 0.56 2.19 -1.26 -4.92 117.98 115.05 1wf5 s PHE 44 Ca 0.70 1.27 -0.12 0.00 0.33 0.00 0.00 56.93 59.11 1wf5 s PHE 44 Cb -0.09 -2.87 -0.07 0.00 -1.31 0.00 0.00 43.02 38.68 1wf5 s PHE 44 CO 0.54 0.00 0.75 0.16 1.83 0.00 0.00 175.22 178.50 1wf5 s ASP 45 N 0.91 6.59 -1.42 6.13 1.47 -1.26 -2.44 116.67 126.65 1wf5 s ASP 45 Ca 0.38 1.16 -0.13 0.00 1.18 0.00 0.00 52.55 55.14 1wf5 s ASP 45 Cb -0.18 -2.33 0.07 0.00 -0.34 0.00 0.00 42.92 40.14 1wf5 s ASP 45 CO 0.17 -0.33 2.17 0.61 0.68 0.00 0.00 175.17 178.47 1wf5 n GLY 46 N -0.99 4.50 5.00 2.12 0.00 -1.25 -4.62 105.19 109.96 1wf5 n GLY 46 Ca 0.03 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1wf5 n GLY 46 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wf5 n ASN 47 N 5.51 0.00 -4.84 1.61 2.85 -1.26 -1.38 115.26 117.75 1wf5 n ASN 47 Ca 0.50 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 54.62 1wf5 n ASN 47 Cb 0.38 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.34 1wf5 n ASN 47 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1wf5 s SER 48 N 0.00 6.85 0.04 1.20 0.15 -1.26 -5.04 113.70 115.64 1wf5 s SER 48 Ca 0.00 1.19 -0.30 0.00 0.70 0.00 0.00 55.95 57.54 1wf5 s SER 48 Cb 0.00 -2.33 -0.05 0.00 -1.71 0.00 0.00 66.02 61.93 1wf5 s SER 48 CO 0.00 -0.00 1.17 -2.16 1.20 0.00 0.00 173.24 173.45 1wf5 s PRO 49 N -2.28 4.44 0.51 5.44 0.04 -1.26 -4.68 135.00 137.20 1wf5 s PRO 49 Ca 0.44 1.72 -0.18 0.00 0.04 0.00 0.00 61.00 63.01 1wf5 s PRO 49 Cb -0.14 -3.39 -0.13 0.00 0.04 0.00 0.00 34.50 30.88 1wf5 s PRO 49 CO 0.20 -0.26 0.09 1.28 0.04 0.00 0.00 177.00 178.35 1wf5 n LEU 50 N 4.11 -2.25 -0.11 -3.56 7.99 -1.26 -4.63 117.00 117.28 1wf5 n LEU 50 Ca 0.09 0.70 -0.21 0.00 -0.01 0.00 0.00 56.01 56.58 1wf5 n LEU 50 Cb 0.47 -0.95 -0.09 0.00 -0.11 0.00 0.00 43.42 42.74 1wf5 n LEU 50 CO 0.55 -4.20 -0.83 -0.38 -1.51 0.00 0.00 177.39 171.02 1wf5 n ILE 51 N -1.50 1.51 -3.47 -0.08 5.41 0.29 -4.72 119.36 116.80 1wf5 n ILE 51 Ca 0.09 -0.10 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 1wf5 n ILE 51 Cb 0.46 -2.07 0.00 0.00 -0.71 0.00 0.00 39.64 37.33 1wf5 n ILE 51 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 1wf5 n ARG 52 N -4.40 0.34 -3.96 0.38 1.85 -0.94 -4.01 116.66 105.92 1wf5 n ARG 52 Ca -0.34 -0.88 -0.14 0.00 -1.00 0.00 0.00 57.85 55.48 1wf5 n ARG 52 Cb 0.68 0.99 -0.15 0.00 -1.05 0.00 0.00 32.46 32.93 1wf5 n ARG 52 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1wf5 s TYR 53 N -5.64 0.19 -0.51 2.89 1.51 -1.17 -1.64 117.35 112.98 1wf5 s TYR 53 Ca 0.08 -0.02 -0.10 0.00 -1.01 0.00 0.00 57.07 56.01 1wf5 s TYR 53 Cb -0.01 -0.16 0.13 0.00 -0.11 0.00 0.00 41.96 41.80 1wf5 s TYR 53 CO 0.06 -0.03 0.40 0.42 -1.11 0.00 0.00 175.55 175.29 1wf5 s ILE 54 N 0.18 4.45 -0.32 2.71 1.01 -1.24 -3.77 121.20 124.22 1wf5 s ILE 54 Ca -0.01 -1.82 -0.22 0.00 0.00 0.00 0.00 60.65 58.60 1wf5 s ILE 54 Cb -0.03 -3.90 -0.00 0.00 0.01 0.00 0.00 42.46 38.53 1wf5 s ILE 54 CO -0.01 -0.81 0.71 -0.22 0.00 0.00 0.00 174.94 174.61 1wf5 s LEU 55 N 1.29 4.14 -0.08 2.97 0.20 -0.88 -3.08 118.68 123.24 1wf5 s LEU 55 Ca 0.06 0.46 0.02 0.00 0.69 0.00 0.00 54.13 55.36 1wf5 s LEU 55 Cb -0.26 -2.94 -0.02 0.00 -0.43 0.00 0.00 46.19 42.54 1wf5 s LEU 55 CO -0.01 -0.58 -0.12 -1.61 -0.29 0.00 0.00 176.35 173.74 1wf5 s GLU 56 N 2.83 2.85 0.06 1.98 2.02 -0.60 -1.79 118.70 126.04 1wf5 s GLU 56 Ca 0.29 -0.66 0.05 0.00 0.02 0.00 0.00 54.97 54.66 1wf5 s GLU 56 Cb -0.14 -2.51 -0.04 0.00 0.10 0.00 0.00 34.13 31.54 1wf5 s GLU 56 CO 0.13 0.49 -0.05 1.41 0.02 0.00 0.00 175.26 177.26 1wf5 s MET 57 N -0.37 2.45 -0.48 1.61 -2.45 -0.46 -1.57 119.30 118.04 1wf5 s MET 57 Ca 0.04 -0.83 0.03 0.00 -1.25 0.00 0.00 55.69 53.68 1wf5 s MET 57 Cb -0.12 -2.47 0.14 0.00 1.25 0.00 0.00 34.83 33.62 1wf5 s MET 57 CO 0.02 0.56 0.26 0.45 1.05 0.00 0.00 175.02 177.37 1wf5 s SER 58 N -1.90 3.85 0.90 1.11 0.15 0.78 -0.03 113.70 118.56 1wf5 s SER 58 Ca 0.21 -2.83 0.00 0.00 0.70 0.00 0.00 55.95 54.03 1wf5 s SER 58 Cb -0.11 -1.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.97 1wf5 s SER 58 CO 0.12 -0.24 0.00 1.21 1.20 0.00 0.00 173.24 175.53 1wf5 n GLU 59 N 3.30 -1.43 -1.37 5.44 2.13 -1.25 -3.35 120.64 124.12 1wf5 n GLU 59 Ca 0.09 0.00 -0.51 0.00 0.66 0.00 0.00 57.16 57.40 1wf5 n GLU 59 Cb 0.34 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.93 1wf5 n GLU 59 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1wf5 n ASN 60 N -2.69 0.78 -2.38 4.31 3.02 -1.25 0.16 115.26 117.21 1wf5 n ASN 60 Ca 0.00 0.43 -0.02 0.00 -0.03 0.00 0.00 54.58 54.96 1wf5 n ASN 60 Cb 0.00 -0.97 -0.00 0.00 -0.61 0.00 0.00 39.78 38.20 1wf5 n ASN 60 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1wf5 n ASN 61 N 9.13 -1.35 -4.85 6.41 4.13 -1.26 -4.86 115.26 122.61 1wf5 n ASN 61 Ca 0.57 0.42 -0.34 0.00 1.68 0.00 0.00 54.58 56.91 1wf5 n ASN 61 Cb 0.03 -1.30 -0.06 0.00 -1.54 0.00 0.00 39.78 36.91 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 -2.01 3.55 0.30 5.41 0.00 0.41 -5.05 121.76 124.36 1wf5 s ALA 62 Ca 0.00 -0.16 -0.28 0.00 0.00 0.00 0.00 51.96 51.51 1wf5 s ALA 62 Cb 0.00 -2.51 -0.09 0.00 0.00 0.00 0.00 23.12 20.51 1wf5 s ALA 62 CO 0.00 0.46 1.08 -1.25 0.00 0.00 0.00 175.76 176.05 1wf5 s PRO 63 N -2.35 4.55 -0.39 0.00 0.04 -1.26 -3.93 135.00 131.66 1wf5 s PRO 63 Ca 0.43 1.72 -0.43 0.00 0.04 0.00 0.00 61.00 62.75 1wf5 s PRO 63 Cb -0.13 -3.06 -0.18 0.00 0.04 0.00 0.00 34.50 31.18 1wf5 s PRO 63 CO 0.20 0.16 1.70 0.91 0.04 0.00 0.00 177.00 180.01 1wf5 n TRP 64 N 0.94 1.89 -4.84 0.56 7.02 -1.25 -4.64 117.44 117.12 1wf5 n TRP 64 Ca 0.00 0.81 -0.33 0.00 -1.02 0.00 0.00 57.50 56.97 1wf5 n TRP 64 Cb 0.46 -2.35 -0.15 0.00 -2.42 0.00 0.00 31.31 26.84 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 3.46 2.68 -0.57 -0.99 -1.32 0.96 -4.85 115.64 115.01 1wf5 s THR 65 Ca 1.02 -0.79 -0.26 0.00 -1.21 0.00 0.00 61.69 60.45 1wf5 s THR 65 Cb -1.27 -2.10 -0.03 0.00 -1.51 0.00 0.00 72.50 67.58 1wf5 s THR 65 CO 0.73 0.53 1.98 -0.69 -2.21 0.00 0.00 174.62 174.96 1wf5 s VAL 66 N 0.47 3.28 -0.13 5.08 1.01 -1.26 -1.35 120.40 127.49 1wf5 s VAL 66 Ca -0.12 0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 1wf5 s VAL 66 Cb -0.16 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1wf5 s VAL 66 CO 0.05 -0.69 0.01 0.25 0.00 0.00 0.00 175.10 174.73 1wf5 h LEU 67 N 16.99 0.00 -8.10 3.92 5.85 -1.73 -3.44 115.31 128.80 1wf5 h LEU 67 Ca -0.26 -0.12 -0.69 0.00 0.84 0.00 0.00 57.88 57.65 1wf5 h LEU 67 Cb 1.19 0.00 -0.31 0.00 0.37 0.00 0.00 40.66 41.90 1wf5 h LEU 67 CO 1.20 0.72 -0.66 -0.76 -0.34 0.00 0.00 178.44 178.59 1wf5 s LEU 68 N -8.34 4.06 -0.10 2.25 1.43 -1.16 -4.97 118.68 111.86 1wf5 s LEU 68 Ca -0.10 -1.22 -0.04 0.00 -1.03 0.00 0.00 54.13 51.74 1wf5 s LEU 68 Cb 0.01 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 1wf5 s LEU 68 CO 0.19 -0.29 -0.08 0.00 0.23 0.00 0.00 176.35 176.41 1wf5 h ALA 69 N 8.08 0.00 -1.43 4.21 0.00 -1.86 -2.33 119.26 125.93 1wf5 h ALA 69 Ca -0.22 -0.25 -0.56 0.00 0.00 0.00 0.00 54.91 53.89 1wf5 h ALA 69 Cb 1.07 0.22 -0.10 0.00 0.00 0.00 0.00 17.79 18.98 1wf5 h ALA 69 CO 0.56 0.22 0.94 0.45 0.00 0.00 0.00 179.25 181.42 1wf5 s SER 70 N -5.20 6.16 0.08 0.00 0.15 -1.26 -4.25 113.70 109.38 1wf5 s SER 70 Ca -0.06 -0.57 0.08 0.00 0.70 0.00 0.00 55.95 56.09 1wf5 s SER 70 Cb 0.01 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.76 1wf5 s SER 70 CO 0.09 -1.74 -0.21 -0.69 1.20 0.00 0.00 173.24 171.89 1wf5 s VAL 71 N 5.34 1.68 0.26 4.45 1.01 -1.25 -4.97 120.40 126.93 1wf5 s VAL 71 Ca 0.32 -1.38 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 1wf5 s VAL 71 Cb -0.10 -1.50 -0.09 0.00 0.00 0.00 0.00 36.38 34.69 1wf5 s VAL 71 CO 0.14 0.05 1.27 -1.81 0.00 0.00 0.00 175.10 174.75 1wf5 s ASP 72 N -1.58 6.93 0.16 3.32 1.11 -1.26 -3.06 116.67 122.29 1wf5 s ASP 72 Ca 0.07 2.48 -0.00 0.00 0.18 0.00 0.00 52.55 55.27 1wf5 s ASP 72 Cb -0.09 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.27 1wf5 s ASP 72 CO 0.03 -0.45 1.38 1.55 1.18 0.00 0.00 175.17 178.86 1wf5 h PRO 73 N 4.32 0.32 0.00 8.23 0.13 -1.85 -2.80 132.00 140.35 1wf5 h PRO 73 Ca -0.47 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.35 1wf5 h PRO 73 Cb 1.22 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1wf5 h PRO 73 CO 0.71 0.99 0.00 1.63 -0.23 0.00 0.00 178.00 181.10 1wf5 n LYS 74 N -3.75 0.70 -3.11 0.86 4.76 -1.26 -4.75 118.16 111.61 1wf5 n LYS 74 Ca -0.05 0.01 -0.39 0.00 -2.87 0.00 0.00 58.31 55.01 1wf5 n LYS 74 Cb 0.77 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 32.41 1wf5 n LYS 74 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wf5 s ALA 75 N -2.26 3.41 0.00 7.82 0.00 -1.06 -4.93 121.76 124.75 1wf5 s ALA 75 Ca 0.37 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1wf5 s ALA 75 Cb 0.20 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.46 1wf5 s ALA 75 CO 0.39 0.05 0.88 0.25 0.00 0.00 0.00 175.76 177.32 1wf5 n THR 76 N 3.14 0.76 -3.75 0.00 -2.24 -1.26 -4.91 114.28 106.02 1wf5 n THR 76 Ca -0.04 -0.85 -0.13 0.00 -2.27 0.00 0.00 64.05 60.76 1wf5 n THR 76 Cb 0.51 0.63 -0.09 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.76 -0.28 0.03 3.42 1.04 -1.26 0.00 113.70 115.89 1wf5 s SER 77 Ca 0.00 0.36 -0.12 0.00 0.48 0.00 0.00 55.95 56.67 1wf5 s SER 77 Cb 0.00 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.62 1wf5 s SER 77 CO 0.00 -0.33 0.25 0.54 0.98 0.00 0.00 173.24 174.68 1wf5 s VAL 78 N -0.74 0.09 -0.23 5.02 0.11 0.40 -4.97 120.40 120.07 1wf5 s VAL 78 Ca -0.08 -0.73 0.01 0.00 -2.93 0.00 0.00 61.98 58.25 1wf5 s VAL 78 Cb -0.04 -0.85 0.04 0.00 -1.53 0.00 0.00 36.38 34.00 1wf5 s VAL 78 CO 0.03 -0.40 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.38 1wf5 s THR 79 N -2.31 2.28 0.31 5.04 2.01 -1.26 0.20 115.64 121.92 1wf5 s THR 79 Ca -0.07 -1.30 -0.15 0.00 0.31 0.00 0.00 61.69 60.47 1wf5 s THR 79 Cb -0.02 -2.19 -0.09 0.00 0.01 0.00 0.00 72.50 70.21 1wf5 s THR 79 CO -0.02 0.19 0.73 -0.69 -0.69 0.00 0.00 174.62 174.14 1wf5 s VAL 80 N 1.20 4.67 0.06 3.82 1.01 -0.37 -4.88 120.40 125.91 1wf5 s VAL 80 Ca -0.03 0.98 -0.06 0.00 0.00 0.00 0.00 61.98 62.88 1wf5 s VAL 80 Cb -0.17 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1wf5 s VAL 80 CO -0.07 -0.14 0.10 -0.54 0.00 0.00 0.00 175.10 174.45 1wf5 s LYS 81 N -2.86 0.71 0.00 2.72 1.02 -1.26 -1.72 119.74 118.35 1wf5 s LYS 81 Ca 0.53 -0.99 0.00 0.00 0.02 0.00 0.00 55.97 55.53 1wf5 s LYS 81 Cb -0.11 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.48 1wf5 s LYS 81 CO 0.18 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.83 1wf5 n GLY 82 N 0.19 0.76 3.88 -3.33 0.00 -1.04 -5.01 105.19 100.64 1wf5 n GLY 82 Ca -0.16 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 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 0.00 3.31 -0.09 0.99 1.02 -1.09 -5.05 118.68 117.76 1wf5 s LEU 83 Ca 0.00 1.30 -0.13 0.00 0.02 0.00 0.00 54.13 55.32 1wf5 s LEU 83 Cb 0.00 -4.32 -0.05 0.00 0.02 0.00 0.00 46.19 41.84 1wf5 s LEU 83 CO 0.00 -0.82 0.33 -0.69 0.02 0.00 0.00 176.35 175.19 1wf5 s VAL 84 N -3.09 5.22 0.35 -1.59 1.01 -1.26 -4.81 120.40 116.23 1wf5 s VAL 84 Ca 0.53 0.64 -0.26 0.00 0.00 0.00 0.00 61.98 62.89 1wf5 s VAL 84 Cb -0.11 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 1wf5 s VAL 84 CO 0.52 0.50 1.07 -2.16 0.00 0.00 0.00 175.10 175.02 1wf5 s PRO 85 N -0.39 4.35 -0.58 2.72 0.04 -1.26 -3.70 135.00 136.18 1wf5 s PRO 85 Ca 0.20 1.62 -0.01 0.00 0.04 0.00 0.00 61.00 62.85 1wf5 s PRO 85 Cb -0.14 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.60 1wf5 s PRO 85 CO 0.08 0.00 0.50 0.00 0.04 0.00 0.00 177.00 177.62 1wf5 n ALA 86 N 0.44 -0.85 -3.40 8.56 0.00 0.11 -4.74 120.51 120.62 1wf5 n ALA 86 Ca 0.03 0.04 -0.16 0.00 0.00 0.00 0.00 53.44 53.34 1wf5 n ALA 86 Cb 0.48 -1.84 -0.07 0.00 0.00 0.00 0.00 19.45 18.02 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 -4.93 0.89 0.34 0.00 0.52 -1.16 -4.92 118.95 109.68 1wf5 s ARG 87 Ca 0.08 0.08 -0.15 0.00 -0.52 0.00 0.00 55.73 55.22 1wf5 s ARG 87 Cb -0.04 0.41 -0.09 0.00 0.52 0.00 0.00 34.95 35.75 1wf5 s ARG 87 CO 0.34 -0.26 0.76 -1.12 0.02 0.00 0.00 175.30 175.04 1wf5 s SER 88 N -1.22 6.78 -0.12 0.23 0.01 -1.26 -0.07 113.70 118.05 1wf5 s SER 88 Ca -0.12 1.32 -0.04 0.00 1.31 0.00 0.00 55.95 58.42 1wf5 s SER 88 Cb -0.02 -2.39 0.06 0.00 0.21 0.00 0.00 66.02 63.88 1wf5 s SER 88 CO 0.07 -0.23 0.22 -0.31 0.41 0.00 0.00 173.24 173.41 1wf5 s TYR 89 N -2.02 -0.33 -0.17 2.43 2.02 0.30 -3.83 117.35 115.74 1wf5 s TYR 89 Ca 0.55 0.82 -0.04 0.00 -0.37 0.00 0.00 57.07 58.03 1wf5 s TYR 89 Cb -0.10 -0.13 -0.03 0.00 -0.40 0.00 0.00 41.96 41.31 1wf5 s TYR 89 CO 0.17 -0.33 -0.03 -0.65 -1.57 0.00 0.00 175.55 173.14 1wf5 s GLN 90 N 2.37 3.64 0.14 -0.62 -0.21 -1.21 -3.24 119.66 120.53 1wf5 s GLN 90 Ca 0.02 -0.53 0.07 0.00 0.02 0.00 0.00 55.36 54.95 1wf5 s GLN 90 Cb -0.12 -2.95 -0.04 0.00 1.00 0.00 0.00 33.01 30.90 1wf5 s GLN 90 CO -0.08 0.17 -0.05 -0.06 -2.12 0.00 0.00 175.29 173.16 1wf5 s PHE 91 N 0.55 2.79 -0.30 0.91 0.08 -1.26 -0.16 117.98 120.60 1wf5 s PHE 91 Ca -0.03 -0.14 -0.10 0.00 0.12 0.00 0.00 56.93 56.78 1wf5 s PHE 91 Cb -0.14 -1.40 0.18 0.00 -0.57 0.00 0.00 43.02 41.08 1wf5 s PHE 91 CO 0.03 0.48 0.91 -0.98 -0.10 0.00 0.00 175.22 175.55 1wf5 s ARG 92 N -2.59 0.32 0.29 0.44 1.70 -0.61 -1.84 118.95 116.65 1wf5 s ARG 92 Ca 0.25 0.59 0.08 0.00 -0.47 0.00 0.00 55.73 56.18 1wf5 s ARG 92 Cb -0.10 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.57 1wf5 s ARG 92 CO 0.16 -0.31 0.11 -0.48 -1.08 0.00 0.00 175.30 173.71 1wf5 s LEU 93 N 2.86 3.42 0.41 -1.89 2.34 -1.26 -1.55 118.68 123.02 1wf5 s LEU 93 Ca 0.05 -0.55 0.03 0.00 0.06 0.00 0.00 54.13 53.72 1wf5 s LEU 93 Cb -0.11 -1.94 -0.04 0.00 -0.56 0.00 0.00 46.19 43.54 1wf5 s LEU 93 CO -0.15 -0.12 0.06 0.00 -1.06 0.00 0.00 176.35 175.09 1wf5 s ALA 95 N -3.08 3.28 -0.10 0.00 0.00 -1.19 -3.65 121.76 117.01 1wf5 s ALA 95 Ca 0.24 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1wf5 s ALA 95 Cb 0.05 -2.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 1wf5 s ALA 95 CO 0.12 -0.40 -0.16 0.08 0.00 0.00 0.00 175.76 175.41 1wf5 s VAL 96 N 1.45 2.83 0.15 0.00 1.01 -0.65 -0.20 120.40 124.99 1wf5 s VAL 96 Ca 0.06 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 1wf5 s VAL 96 Cb -0.15 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1wf5 s VAL 96 CO 0.05 0.55 0.05 0.54 0.00 0.00 0.00 175.10 176.29 1wf5 s ASN 97 N 0.07 0.48 0.30 3.32 4.22 -0.93 0.10 114.94 122.50 1wf5 s ASN 97 Ca -0.07 -1.22 -0.00 0.00 -2.14 0.00 0.00 52.86 49.43 1wf5 s ASN 97 Cb -0.15 0.27 0.68 0.00 1.28 0.00 0.00 41.25 43.33 1wf5 s ASN 97 CO 0.05 -0.71 1.52 -0.67 -2.04 0.00 0.00 177.10 175.25 1wf5 n ASP 98 N -0.15 -0.16 0.08 3.54 -0.08 -1.26 0.45 116.55 118.97 1wf5 n ASP 98 Ca -0.05 1.65 -0.15 0.00 -1.51 0.00 0.00 54.79 54.74 1wf5 n ASP 98 Cb 0.64 -0.58 -0.09 0.00 2.34 0.00 0.00 41.12 43.43 1wf5 n ASP 98 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1wf5 h VAL 99 N 0.00 0.00 0.00 5.18 2.07 -1.91 -3.48 116.25 118.10 1wf5 h VAL 99 Ca 0.56 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.08 1wf5 h VAL 99 Cb 1.11 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1wf5 h VAL 99 CO -0.93 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.27 1wf5 n GLY 100 N -1.43 -1.59 3.77 2.17 0.00 0.17 -5.07 105.19 103.21 1wf5 n GLY 100 Ca -0.07 -1.13 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.53 3.78 0.00 1.61 2.20 -1.26 -2.18 119.74 122.36 1wf5 s LYS 101 Ca 0.00 1.75 0.00 0.00 -0.36 0.00 0.00 55.97 57.36 1wf5 s LYS 101 Cb 0.00 -2.41 0.00 0.00 -1.51 0.00 0.00 37.83 33.91 1wf5 s LYS 101 CO 0.00 -0.53 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 1wf5 n GLY 102 N 0.43 0.23 3.21 5.54 0.00 0.72 -4.76 105.19 110.56 1wf5 n GLY 102 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 1wf5 n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wf5 s GLN 103 N 1.93 0.95 -0.06 1.61 -0.21 -1.24 -4.91 119.66 117.74 1wf5 s GLN 103 Ca 0.00 -1.27 -0.04 0.00 0.02 0.00 0.00 55.36 54.07 1wf5 s GLN 103 Cb 0.00 -0.64 -0.04 0.00 1.00 0.00 0.00 33.01 33.33 1wf5 s GLN 103 CO 0.00 0.10 0.15 -0.06 -2.12 0.00 0.00 175.29 173.36 1wf5 s PHE 104 N -2.65 3.54 0.46 0.91 0.40 -1.26 -3.16 117.98 116.21 1wf5 s PHE 104 Ca 0.10 0.41 -0.21 0.00 -0.60 0.00 0.00 56.93 56.63 1wf5 s PHE 104 Cb -0.02 -1.87 -0.09 0.00 0.51 0.00 0.00 43.02 41.56 1wf5 s PHE 104 CO 0.01 0.67 1.03 -1.54 0.70 0.00 0.00 175.22 176.09 1wf5 s SER 105 N -1.52 6.50 0.99 1.36 1.04 -0.59 -4.83 113.70 116.65 1wf5 s SER 105 Ca 0.21 1.93 -0.14 0.00 0.48 0.00 0.00 55.95 58.43 1wf5 s SER 105 Cb -0.12 -2.56 0.06 0.00 0.10 0.00 0.00 66.02 63.50 1wf5 s SER 105 CO 0.12 -0.67 0.39 0.29 0.98 0.00 0.00 173.24 174.35 1wf5 n LYS 106 N -0.72 -0.61 -2.03 4.02 4.76 -1.26 -4.58 118.16 117.73 1wf5 n LYS 106 Ca 0.08 -0.14 -0.43 0.00 -2.87 0.00 0.00 58.31 54.95 1wf5 n LYS 106 Cb 0.52 -1.87 -0.03 0.00 -1.84 0.00 0.00 35.03 31.82 1wf5 n LYS 106 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1wf5 s ASP 107 N -2.03 6.34 0.43 4.39 1.11 -1.26 -4.67 116.67 120.97 1wf5 s ASP 107 Ca 0.58 1.78 -0.23 0.00 0.18 0.00 0.00 52.55 54.86 1wf5 s ASP 107 Cb -0.20 -2.53 -0.11 0.00 1.07 0.00 0.00 42.92 41.15 1wf5 s ASP 107 CO 0.67 -1.26 0.75 0.35 1.18 0.00 0.00 175.17 176.85 1wf5 n THR 108 N 6.35 2.16 -1.41 -1.27 -2.24 -0.77 -4.70 114.28 112.40 1wf5 n THR 108 Ca 0.20 -0.50 -0.55 0.00 -2.27 0.00 0.00 64.05 60.92 1wf5 n THR 108 Cb 0.45 -0.81 -0.08 0.00 -2.10 0.00 0.00 70.33 67.79 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 0.32 0.00 -1.35 -0.78 2.13 -1.26 -4.39 120.64 115.30 1wf5 n GLU 109 Ca 0.11 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.61 1wf5 n GLU 109 Cb 0.40 -1.35 -0.16 0.00 0.27 0.00 0.00 31.44 30.60 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 1.93 0.00 -3.04 5.31 0.63 -1.26 -4.81 116.66 115.42 1wf5 n ARG 110 Ca 0.21 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.73 1wf5 n ARG 110 Cb 0.04 -1.21 -0.06 0.00 0.45 0.00 0.00 32.46 31.68 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 5.60 4.93 -0.12 5.15 1.01 -1.20 -4.93 120.40 130.83 1wf5 s VAL 111 Ca 1.22 1.22 -0.04 0.00 0.00 0.00 0.00 61.98 64.38 1wf5 s VAL 111 Cb -1.02 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 31.32 1wf5 s VAL 111 CO 0.47 -0.04 0.02 -0.44 0.00 0.00 0.00 175.10 175.10 1wf5 s SER 112 N 1.47 5.33 0.02 3.32 0.01 -1.26 0.11 113.70 122.69 1wf5 s SER 112 Ca 0.29 0.11 -0.15 0.00 1.31 0.00 0.00 55.95 57.51 1wf5 s SER 112 Cb -0.15 -1.67 -0.06 0.00 0.21 0.00 0.00 66.02 64.35 1wf5 s SER 112 CO 0.09 0.30 0.43 -0.22 0.41 0.00 0.00 173.24 174.25 1wf5 s LEU 113 N -0.43 4.46 0.47 2.44 2.96 0.90 -4.93 118.68 124.55 1wf5 s LEU 113 Ca 0.08 0.98 -0.21 0.00 -0.22 0.00 0.00 54.13 54.76 1wf5 s LEU 113 Cb -0.12 -2.69 -0.09 0.00 0.50 0.00 0.00 46.19 43.80 1wf5 s LEU 113 CO 0.02 0.30 1.04 -2.16 -1.32 0.00 0.00 176.35 174.23 1wf5 s PRO 114 N -1.21 3.88 0.14 0.98 0.04 -1.26 0.04 135.00 137.62 1wf5 s PRO 114 Ca 0.26 1.40 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 1wf5 s PRO 114 Cb -0.17 -2.19 -0.08 0.00 0.04 0.00 0.00 34.50 32.10 1wf5 s PRO 114 CO 0.15 -0.37 1.25 -2.00 0.04 0.00 0.00 177.00 176.07 1wf5 s GLU 115 N -3.07 4.43 -0.12 4.56 2.12 -1.26 -2.75 118.70 122.61 1wf5 s GLU 115 Ca 0.65 1.91 -0.07 0.00 0.36 0.00 0.00 54.97 57.83 1wf5 s GLU 115 Cb -0.18 -3.26 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 1wf5 s GLU 115 CO 0.22 -0.22 -0.13 1.03 -0.54 0.00 0.00 175.26 175.62 1wf5 h SER 116 N 5.91 0.00 -4.11 -1.70 0.87 -1.94 -3.47 113.55 109.11 1wf5 h SER 116 Ca -0.43 0.00 0.26 0.00 -1.23 0.00 0.00 61.79 60.39 1wf5 h SER 116 Cb 1.21 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.97 1wf5 h SER 116 CO 0.79 0.66 0.84 -0.83 -0.53 0.00 0.00 176.83 177.76 1wf5 s GLY 117 N -3.99 -0.25 0.39 5.77 0.00 -1.26 -5.16 107.32 102.83 1wf5 s GLY 117 Ca -0.11 1.76 -0.24 0.00 0.00 0.00 0.00 44.72 46.13 1wf5 s GLY 117 CO 0.16 0.61 1.06 2.56 0.00 0.00 0.00 173.10 177.48 1wf5 s PRO 118 N -2.20 4.18 -0.15 2.90 0.04 -1.26 -5.00 135.00 133.51 1wf5 s PRO 118 Ca 0.09 1.54 -0.11 0.00 0.04 0.00 0.00 61.00 62.56 1wf5 s PRO 118 Cb -0.01 -2.58 -0.05 0.00 0.04 0.00 0.00 34.50 31.90 1wf5 s PRO 118 CO -0.04 -0.13 -0.16 0.45 0.04 0.00 0.00 177.00 177.16 1wf5 n SER 119 N 0.00 1.83 -4.60 6.66 2.88 -1.26 -4.85 113.62 114.28 1wf5 n SER 119 Ca 0.05 0.58 -0.40 0.00 -1.33 0.00 0.00 58.87 57.77 1wf5 n SER 119 Cb 0.49 -0.87 -0.08 0.00 -0.75 0.00 0.00 64.21 63.01 1wf5 n SER 119 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wf5 s SER 120 N -5.89 6.41 0.00 -3.46 0.01 -1.26 -5.34 113.70 104.17 1wf5 s SER 120 Ca -0.18 0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.48 1wf5 s SER 120 Cb 0.03 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1wf5 s SER 120 CO 0.28 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.20