#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 0.00 -4.82 1.61 7.64 -1.26 -4.75 113.62 112.05 1wf5 n SER 2 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 1wf5 n SER 2 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1wf5 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wf5 s SER 3 N -0.73 7.05 0.00 6.43 1.04 -1.26 -4.82 113.70 121.41 1wf5 s SER 3 Ca 0.00 1.35 0.00 0.00 0.48 0.00 0.00 55.95 57.78 1wf5 s SER 3 Cb 0.00 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1wf5 s SER 3 CO 0.00 0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1wf5 n GLY 4 N 1.00 0.68 0.97 7.32 0.00 -1.26 -5.15 105.19 108.75 1wf5 n GLY 4 Ca -0.05 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.50 1wf5 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wf5 n SER 5 N 0.00 -5.51 -4.83 1.61 2.88 -1.26 -4.97 113.62 101.54 1wf5 n SER 5 Ca 0.00 0.85 -0.21 0.00 -1.33 0.00 0.00 58.87 58.17 1wf5 n SER 5 Cb 0.00 -3.24 -0.04 0.00 -0.75 0.00 0.00 64.21 60.18 1wf5 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wf5 s SER 6 N -6.34 5.23 0.00 -3.46 1.04 -1.26 -5.01 113.70 103.91 1wf5 s SER 6 Ca 0.00 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1wf5 s SER 6 Cb 0.00 -0.99 0.00 0.00 0.10 0.00 0.00 66.02 65.13 1wf5 s SER 6 CO 0.00 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1wf5 n GLY 7 N -1.32 -0.01 3.20 7.32 0.00 -1.26 -5.18 105.19 107.94 1wf5 n GLY 7 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1wf5 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wf5 s ARG 8 N 0.00 0.96 0.17 1.61 1.81 -1.26 -5.14 118.95 117.10 1wf5 s ARG 8 Ca 0.00 -1.44 -0.30 0.00 -1.72 0.00 0.00 55.73 52.27 1wf5 s ARG 8 Cb 0.00 -0.15 -0.07 0.00 -0.45 0.00 0.00 34.95 34.28 1wf5 s ARG 8 CO 0.00 -0.11 0.95 -1.12 -0.68 0.00 0.00 175.30 174.34 1wf5 s SER 9 N -3.10 7.56 -0.40 0.23 0.01 -1.26 -4.99 113.70 111.75 1wf5 s SER 9 Ca 0.19 1.86 -0.29 0.00 1.31 0.00 0.00 55.95 59.02 1wf5 s SER 9 Cb 0.06 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.71 1wf5 s SER 9 CO -0.00 0.04 1.25 0.00 0.41 0.00 0.00 173.24 174.94 1wf5 s ALA 10 N -0.55 3.20 -0.53 1.44 0.00 -1.26 -4.91 121.76 119.16 1wf5 s ALA 10 Ca 0.44 -0.21 0.07 0.00 0.00 0.00 0.00 51.96 52.26 1wf5 s ALA 10 Cb -0.24 -3.86 0.31 0.00 0.00 0.00 0.00 23.12 19.33 1wf5 s ALA 10 CO 0.31 -2.12 0.81 1.58 0.00 0.00 0.00 175.76 176.34 1wf5 n HIS 11 N 8.01 2.65 -2.87 0.00 -0.00 -1.26 -4.94 115.22 116.81 1wf5 n HIS 11 Ca 0.14 -3.95 -0.07 0.00 -0.00 0.00 0.00 57.72 53.84 1wf5 n HIS 11 Cb 0.48 -0.47 0.01 0.00 -0.00 0.00 0.00 29.99 30.00 1wf5 n HIS 11 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1wf5 n LEU 12 N 0.28 -7.86 -1.61 0.27 7.94 -1.26 -4.78 117.00 109.97 1wf5 n LEU 12 Ca 0.28 0.49 0.00 0.00 -1.11 0.00 0.00 56.01 55.67 1wf5 n LEU 12 Cb 0.47 -3.40 0.00 0.00 0.53 0.00 0.00 43.42 41.02 1wf5 n LEU 12 CO 0.31 -2.26 -0.45 0.54 -1.11 0.00 0.00 177.39 174.41 1wf5 n ARG 13 N -0.42 -4.61 -3.04 1.96 1.74 -1.26 -4.85 116.66 106.17 1wf5 n ARG 13 Ca 0.11 3.43 -0.40 0.00 -0.77 0.00 0.00 57.85 60.22 1wf5 n ARG 13 Cb 0.46 -3.84 -0.05 0.00 -1.02 0.00 0.00 32.46 28.01 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 -3.24 5.02 -0.88 1.55 0.11 -1.26 -5.00 120.40 116.70 1wf5 s VAL 14 Ca 0.00 1.41 -0.22 0.00 -2.93 0.00 0.00 61.98 60.24 1wf5 s VAL 14 Cb 0.00 -4.03 0.07 0.00 -1.53 0.00 0.00 36.38 30.89 1wf5 s VAL 14 CO 0.00 0.19 1.24 -0.13 -3.33 0.00 0.00 175.10 173.07 1wf5 s ARG 15 N 1.21 3.43 0.27 1.54 0.52 -1.26 -4.54 118.95 120.13 1wf5 s ARG 15 Ca 0.36 -1.10 -0.05 0.00 -0.52 0.00 0.00 55.73 54.42 1wf5 s ARG 15 Cb -0.17 -4.81 -0.05 0.00 0.52 0.00 0.00 34.95 30.43 1wf5 s ARG 15 CO 0.15 -2.00 0.54 -1.14 0.02 0.00 0.00 175.30 172.87 1wf5 s GLN 16 N 4.28 3.65 0.18 3.54 2.00 -1.26 -4.95 119.66 127.11 1wf5 s GLN 16 Ca 0.36 0.03 -0.28 0.00 -2.00 0.00 0.00 55.36 53.47 1wf5 s GLN 16 Cb -0.06 -2.66 -0.08 0.00 0.80 0.00 0.00 33.01 31.01 1wf5 s GLN 16 CO -0.02 0.25 0.88 -0.51 -0.50 0.00 0.00 175.29 175.38 1wf5 s LEU 17 N -3.40 4.59 0.12 3.68 1.43 -1.26 -3.65 118.68 120.19 1wf5 s LEU 17 Ca 0.44 1.79 -0.30 0.00 -1.03 0.00 0.00 54.13 55.02 1wf5 s LEU 17 Cb -0.11 -3.47 -0.06 0.00 0.03 0.00 0.00 46.19 42.57 1wf5 s LEU 17 CO 0.28 0.13 1.14 -2.16 0.23 0.00 0.00 176.35 175.97 1wf5 s PRO 18 N -0.89 4.52 0.94 1.29 0.04 -1.26 -4.18 135.00 135.46 1wf5 s PRO 18 Ca 0.40 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 63.06 1wf5 s PRO 18 Cb -0.24 -3.32 0.16 0.00 0.04 0.00 0.00 34.50 31.14 1wf5 s PRO 18 CO 0.29 -0.08 1.09 -3.38 0.04 0.00 0.00 177.00 174.96 1wf5 s HIS 19 N 0.40 1.94 0.94 0.56 -3.43 -1.15 -3.80 115.29 110.76 1wf5 s HIS 19 Ca 0.54 1.44 -0.11 0.00 -0.80 0.00 0.00 55.06 56.13 1wf5 s HIS 19 Cb -0.29 -3.19 0.15 0.00 -1.43 0.00 0.00 32.58 27.83 1wf5 s HIS 19 CO 0.32 -2.74 1.09 0.00 -2.00 0.00 0.00 174.74 171.41 1wf5 s ALA 20 N -2.75 1.22 0.55 -1.38 0.00 -1.24 -4.41 121.76 113.75 1wf5 s ALA 20 Ca 0.65 0.13 -0.17 0.00 0.00 0.00 0.00 51.96 52.57 1wf5 s ALA 20 Cb -0.21 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 1wf5 s ALA 20 CO 0.59 -2.68 1.04 -1.25 0.00 0.00 0.00 175.76 173.46 1wf5 s PRO 21 N -4.77 3.55 0.54 0.00 0.04 -1.26 -4.63 135.00 128.48 1wf5 s PRO 21 Ca 0.65 1.24 0.05 0.00 0.04 0.00 0.00 61.00 62.98 1wf5 s PRO 21 Cb -0.20 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.31 1wf5 s PRO 21 CO 0.59 -0.62 0.37 -1.21 0.04 0.00 0.00 177.00 176.16 1wf5 s GLU 22 N -3.76 2.25 -1.45 4.56 2.02 -1.24 -4.52 118.70 116.56 1wf5 s GLU 22 Ca 0.65 -2.06 -0.07 0.00 0.02 0.00 0.00 54.97 53.51 1wf5 s GLU 22 Cb -0.16 -2.05 0.01 0.00 0.10 0.00 0.00 34.13 32.04 1wf5 s GLU 22 CO 0.30 -0.60 0.22 1.58 0.02 0.00 0.00 175.26 176.78 1wf5 n HIS 23 N -1.72 -1.37 -2.32 1.61 -0.00 -1.26 0.18 115.22 110.33 1wf5 n HIS 23 Ca -0.03 0.53 -0.35 0.00 0.46 0.00 0.00 57.72 58.33 1wf5 n HIS 23 Cb 0.64 -2.98 -0.03 0.00 -0.12 0.00 0.00 29.99 27.50 1wf5 n HIS 23 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1wf5 s PRO 24 N -7.21 3.20 -0.12 1.57 0.04 -1.26 -3.74 135.00 127.48 1wf5 s PRO 24 Ca 0.10 -1.33 -0.12 0.00 0.04 0.00 0.00 61.00 59.69 1wf5 s PRO 24 Cb -0.05 -5.34 -0.05 0.00 0.04 0.00 0.00 34.50 29.10 1wf5 s PRO 24 CO 0.97 -3.02 0.27 0.08 0.04 0.00 0.00 177.00 175.34 1wf5 s VAL 25 N 7.57 5.30 -0.20 -0.36 1.01 0.12 -4.14 120.40 129.70 1wf5 s VAL 25 Ca 0.60 0.51 -0.05 0.00 0.00 0.00 0.00 61.98 63.04 1wf5 s VAL 25 Cb 0.00 -3.58 0.07 0.00 0.00 0.00 0.00 36.38 32.87 1wf5 s VAL 25 CO 0.06 0.49 0.10 0.00 0.00 0.00 0.00 175.10 175.74 1wf5 s ALA 26 N -0.21 0.50 0.27 5.51 0.00 -1.26 -0.82 121.76 125.75 1wf5 s ALA 26 Ca 0.17 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.67 1wf5 s ALA 26 Cb -0.13 -1.13 -0.06 0.00 0.00 0.00 0.00 23.12 21.80 1wf5 s ALA 26 CO 0.05 -1.30 -0.07 0.95 0.00 0.00 0.00 175.76 175.39 1wf5 s THR 27 N 2.12 1.69 1.06 0.00 -4.23 -1.00 -4.44 115.64 110.84 1wf5 s THR 27 Ca 0.04 -2.14 -0.12 0.00 -1.18 0.00 0.00 61.69 58.28 1wf5 s THR 27 Cb -0.16 -2.40 0.21 0.00 1.34 0.00 0.00 72.50 71.49 1wf5 s THR 27 CO -0.16 -0.33 0.97 0.18 -0.54 0.00 0.00 174.62 174.73 1wf5 n LEU 28 N -0.56 0.42 -4.51 4.79 4.77 -1.26 0.86 117.00 121.51 1wf5 n LEU 28 Ca -0.06 0.09 -0.43 0.00 -0.03 0.00 0.00 56.01 55.59 1wf5 n LEU 28 Cb 0.63 -1.32 -0.08 0.00 -2.33 0.00 0.00 43.42 40.32 1wf5 n LEU 28 CO 0.39 -2.86 0.23 -0.44 -1.33 0.00 0.00 177.39 173.37 1wf5 s SER 29 N -2.44 6.26 -0.01 -1.43 0.01 0.06 -3.87 113.70 112.29 1wf5 s SER 29 Ca 0.67 -0.42 0.05 0.00 1.31 0.00 0.00 55.95 57.55 1wf5 s SER 29 Cb -0.24 -2.27 0.15 0.00 0.21 0.00 0.00 66.02 63.88 1wf5 s SER 29 CO 0.63 -0.63 1.06 0.35 0.41 0.00 0.00 173.24 175.06 1wf5 n THR 30 N 5.58 0.28 0.00 1.44 -2.24 -1.26 -3.86 114.28 114.22 1wf5 n THR 30 Ca -0.05 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1wf5 n THR 30 Cb 0.48 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 0.00 0.00 -4.05 2.28 0.24 -1.26 -5.05 118.33 110.50 1wf5 n VAL 31 Ca 0.06 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.01 1wf5 n VAL 31 Cb 0.19 -1.07 -0.10 0.00 -1.47 0.00 0.00 33.84 31.39 1wf5 n VAL 31 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1wf5 s GLU 32 N -1.97 3.88 0.30 7.34 0.41 -1.25 -5.08 118.70 122.32 1wf5 s GLU 32 Ca 0.00 -0.35 -0.29 0.00 -0.41 0.00 0.00 54.97 53.92 1wf5 s GLU 32 Cb 0.00 -3.17 -0.10 0.00 -1.78 0.00 0.00 34.13 29.09 1wf5 s GLU 32 CO 0.00 0.32 1.11 1.03 -0.49 0.00 0.00 175.26 177.23 1wf5 s ARG 33 N 0.23 4.57 -1.64 1.61 1.81 -1.26 -2.93 118.95 121.33 1wf5 s ARG 33 Ca 0.04 1.81 0.00 0.00 -1.72 0.00 0.00 55.73 55.85 1wf5 s ARG 33 Cb -0.12 -3.11 0.00 0.00 -0.45 0.00 0.00 34.95 31.26 1wf5 s ARG 33 CO 0.01 0.15 0.00 0.54 -0.68 0.00 0.00 175.30 175.31 1wf5 n ARG 34 N 1.03 -1.51 -4.52 3.54 1.74 -1.26 -4.73 116.66 110.95 1wf5 n ARG 34 Ca -0.00 0.93 -0.24 0.00 -0.77 0.00 0.00 57.85 57.76 1wf5 n ARG 34 Cb 0.45 -5.47 -0.11 0.00 -1.02 0.00 0.00 32.46 26.31 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 -2.94 2.71 -0.00 7.54 0.00 -1.15 -2.73 121.76 125.19 1wf5 s ALA 35 Ca 0.00 -2.16 -0.00 0.00 0.00 0.00 0.00 51.96 49.80 1wf5 s ALA 35 Cb 0.00 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.53 1wf5 s ALA 35 CO 0.00 -0.21 0.01 0.42 0.00 0.00 0.00 175.76 175.98 1wf5 s ILE 36 N -3.02 -0.00 -0.51 0.00 1.01 -0.61 -0.76 121.20 117.32 1wf5 s ILE 36 Ca 0.35 0.00 -0.20 0.00 0.00 0.00 0.00 60.65 60.80 1wf5 s ILE 36 Cb 0.09 -0.02 0.05 0.00 0.01 0.00 0.00 42.46 42.58 1wf5 s ILE 36 CO 0.16 0.00 0.70 0.21 0.00 0.00 0.00 174.94 176.01 1wf5 s ASN 37 N 0.02 6.26 -0.20 3.58 3.84 0.25 -1.43 114.94 127.26 1wf5 s ASN 37 Ca -0.00 -0.70 -0.15 0.00 0.21 0.00 0.00 52.86 52.21 1wf5 s ASN 37 Cb -0.00 -2.33 -0.04 0.00 -0.55 0.00 0.00 41.25 38.33 1wf5 s ASN 37 CO -0.00 -0.95 0.37 -0.22 -2.79 0.00 0.00 177.10 173.51 1wf5 s LEU 38 N 2.94 4.16 -0.03 3.21 1.98 0.18 -2.38 118.68 128.75 1wf5 s LEU 38 Ca 0.20 0.47 -0.01 0.00 -2.89 0.00 0.00 54.13 51.90 1wf5 s LEU 38 Cb -0.17 -2.46 0.03 0.00 0.66 0.00 0.00 46.19 44.25 1wf5 s LEU 38 CO 0.15 -0.05 0.05 0.42 -1.89 0.00 0.00 176.35 175.02 1wf5 s THR 39 N 1.23 -0.09 0.42 3.68 -4.23 -0.00 0.24 115.64 116.89 1wf5 s THR 39 Ca 0.18 0.35 0.04 0.00 -1.18 0.00 0.00 61.69 61.08 1wf5 s THR 39 Cb -0.14 -0.12 -0.02 0.00 1.34 0.00 0.00 72.50 73.55 1wf5 s THR 39 CO 0.07 0.15 0.15 -1.66 -0.54 0.00 0.00 174.62 172.79 1wf5 s TRP 40 N 1.75 1.78 0.22 3.99 -2.14 0.12 0.14 118.94 124.80 1wf5 s TRP 40 Ca -0.00 -1.36 0.06 0.00 2.66 0.00 0.00 56.10 57.45 1wf5 s TRP 40 Cb -0.12 -1.12 -0.03 0.00 -3.10 0.00 0.00 33.47 29.09 1wf5 s TRP 40 CO -0.03 -0.38 0.26 0.99 -2.66 0.00 0.00 176.95 175.13 1wf5 s THR 41 N -3.19 4.83 -0.35 0.66 2.01 0.46 -4.70 115.64 115.37 1wf5 s THR 41 Ca 0.23 -1.14 -0.29 0.00 0.31 0.00 0.00 61.69 60.80 1wf5 s THR 41 Cb 0.01 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 68.95 1wf5 s THR 41 CO 0.16 -0.28 1.28 -0.75 -0.69 0.00 0.00 174.62 174.34 1wf5 s LYS 42 N -3.72 3.82 0.46 4.92 2.36 -1.26 -3.59 119.74 122.73 1wf5 s LYS 42 Ca 0.33 1.06 -0.21 0.00 -2.55 0.00 0.00 55.97 54.60 1wf5 s LYS 42 Cb -0.09 -3.90 -0.09 0.00 -1.05 0.00 0.00 37.83 32.70 1wf5 s LYS 42 CO 0.27 -1.24 1.04 -1.25 1.55 0.00 0.00 175.35 175.71 1wf5 s PRO 43 N 4.34 3.91 0.12 4.03 0.04 -1.26 -4.89 135.00 141.30 1wf5 s PRO 43 Ca 0.55 1.41 -0.31 0.00 0.04 0.00 0.00 61.00 62.69 1wf5 s PRO 43 Cb -0.14 -2.22 -0.09 0.00 0.04 0.00 0.00 34.50 32.09 1wf5 s PRO 43 CO 0.26 -0.35 1.50 0.12 0.04 0.00 0.00 177.00 178.57 1wf5 s PHE 44 N -1.89 3.05 0.00 0.56 2.19 -1.26 -4.87 117.98 115.76 1wf5 s PHE 44 Ca 0.65 0.73 -0.30 0.00 0.33 0.00 0.00 56.93 58.34 1wf5 s PHE 44 Cb -0.18 -3.82 -0.03 0.00 -1.31 0.00 0.00 43.02 37.68 1wf5 s PHE 44 CO 0.22 -3.00 0.98 0.16 1.83 0.00 0.00 175.22 175.41 1wf5 s ASP 45 N 1.31 7.37 0.41 6.13 -4.77 -1.26 -2.91 116.67 122.94 1wf5 s ASP 45 Ca 0.68 1.67 0.15 0.00 -3.30 0.00 0.00 52.55 51.75 1wf5 s ASP 45 Cb -0.40 -2.57 1.02 0.00 -1.09 0.00 0.00 42.92 39.88 1wf5 s ASP 45 CO 0.31 -0.26 1.87 1.23 0.70 0.00 0.00 175.17 179.02 1wf5 h GLY 46 N 6.79 0.91 0.00 2.12 0.00 -1.72 -3.43 103.07 107.73 1wf5 h GLY 46 Ca -0.41 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1wf5 h GLY 46 CO 0.75 0.03 0.00 -2.01 0.00 0.00 0.00 176.54 175.31 1wf5 n ASN 47 N -4.52 0.00 -4.93 0.19 2.85 -1.26 -4.07 115.26 103.52 1wf5 n ASN 47 Ca 0.18 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.39 1wf5 n ASN 47 Cb 0.61 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.61 1wf5 n ASN 47 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1wf5 s SER 48 N 0.00 6.34 0.39 1.20 0.01 -1.26 -5.03 113.70 115.35 1wf5 s SER 48 Ca 0.00 0.46 -0.24 0.00 1.31 0.00 0.00 55.95 57.48 1wf5 s SER 48 Cb 0.00 -2.04 -0.09 0.00 0.21 0.00 0.00 66.02 64.11 1wf5 s SER 48 CO 0.00 -0.21 1.06 -2.16 0.41 0.00 0.00 173.24 172.34 1wf5 s PRO 49 N -3.95 4.20 0.51 12.44 0.04 -1.26 -4.80 135.00 142.17 1wf5 s PRO 49 Ca 0.40 1.54 -0.23 0.00 0.04 0.00 0.00 61.00 62.76 1wf5 s PRO 49 Cb -0.10 -2.59 -0.07 0.00 0.04 0.00 0.00 34.50 31.78 1wf5 s PRO 49 CO 0.33 -0.12 1.22 1.28 0.04 0.00 0.00 177.00 179.75 1wf5 n LEU 50 N 0.03 4.40 -0.10 -3.56 4.77 -1.26 -4.18 117.00 117.10 1wf5 n LEU 50 Ca 0.04 0.99 -0.21 0.00 -0.03 0.00 0.00 56.01 56.81 1wf5 n LEU 50 Cb 0.49 -1.49 -0.07 0.00 -2.33 0.00 0.00 43.42 40.02 1wf5 n LEU 50 CO 0.46 -0.94 -1.14 -0.38 -1.33 0.00 0.00 177.39 174.05 1wf5 n ILE 51 N -0.86 1.20 -3.82 -0.08 5.41 0.38 -4.82 119.36 116.77 1wf5 n ILE 51 Ca 0.10 -0.24 -0.09 0.00 1.00 0.00 0.00 62.75 63.52 1wf5 n ILE 51 Cb 0.43 -1.83 0.02 0.00 -0.71 0.00 0.00 39.64 37.55 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 -2.42 2.25 -0.02 0.38 1.70 -0.82 -4.39 118.95 115.63 1wf5 s ARG 52 Ca -0.29 -1.50 0.02 0.00 -0.47 0.00 0.00 55.73 53.50 1wf5 s ARG 52 Cb 0.10 0.62 0.00 0.00 -0.57 0.00 0.00 34.95 35.10 1wf5 s ARG 52 CO 0.37 -1.05 -0.08 0.71 -1.08 0.00 0.00 175.30 174.17 1wf5 s TYR 53 N -2.23 0.79 -0.41 5.89 2.02 -1.10 -2.47 117.35 119.84 1wf5 s TYR 53 Ca 0.17 -0.17 -0.03 0.00 -0.37 0.00 0.00 57.07 56.66 1wf5 s TYR 53 Cb -0.05 -0.55 0.11 0.00 -0.40 0.00 0.00 41.96 41.07 1wf5 s TYR 53 CO 0.12 -0.06 0.20 0.42 -1.57 0.00 0.00 175.55 174.66 1wf5 s ILE 54 N 0.09 3.36 -0.31 2.71 1.01 -1.24 -3.04 121.20 123.78 1wf5 s ILE 54 Ca -0.01 -1.99 -0.22 0.00 0.00 0.00 0.00 60.65 58.43 1wf5 s ILE 54 Cb -0.06 -3.27 -0.00 0.00 0.01 0.00 0.00 42.46 39.13 1wf5 s ILE 54 CO 0.00 -0.66 0.70 -0.22 0.00 0.00 0.00 174.94 174.76 1wf5 s LEU 55 N 1.17 4.13 -0.28 2.97 2.96 -0.34 -2.74 118.68 126.55 1wf5 s LEU 55 Ca 0.07 0.51 -0.08 0.00 -0.22 0.00 0.00 54.13 54.41 1wf5 s LEU 55 Cb -0.23 -2.93 -0.02 0.00 0.50 0.00 0.00 46.19 43.51 1wf5 s LEU 55 CO -0.04 -0.55 0.11 -1.61 -1.32 0.00 0.00 176.35 172.94 1wf5 s GLU 56 N 2.78 3.52 -0.08 1.98 8.01 -0.56 -1.14 118.70 133.22 1wf5 s GLU 56 Ca 0.28 -0.58 -0.05 0.00 0.01 0.00 0.00 54.97 54.64 1wf5 s GLU 56 Cb -0.14 -3.45 -0.04 0.00 -4.31 0.00 0.00 34.13 26.19 1wf5 s GLU 56 CO 0.12 -0.29 0.13 1.41 0.01 0.00 0.00 175.26 176.64 1wf5 s MET 57 N 1.62 3.34 -0.26 1.61 -2.45 -0.72 -2.08 119.30 120.37 1wf5 s MET 57 Ca 0.05 -0.24 0.01 0.00 -1.25 0.00 0.00 55.69 54.26 1wf5 s MET 57 Cb -0.16 -3.09 0.07 0.00 1.25 0.00 0.00 34.83 32.90 1wf5 s MET 57 CO 0.05 0.73 -0.03 0.45 1.05 0.00 0.00 175.02 177.28 1wf5 s SER 58 N -1.29 4.08 0.26 1.11 0.15 0.18 -0.16 113.70 118.03 1wf5 s SER 58 Ca 0.18 -1.40 0.00 0.00 0.70 0.00 0.00 55.95 55.44 1wf5 s SER 58 Cb -0.12 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.93 1wf5 s SER 58 CO 0.08 -0.27 0.00 1.21 1.20 0.00 0.00 173.24 175.46 1wf5 n GLU 59 N 4.60 0.45 -1.54 5.44 2.13 -1.26 -1.58 120.64 128.88 1wf5 n GLU 59 Ca -0.09 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.38 1wf5 n GLU 59 Cb 0.43 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.08 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 -0.78 1.83 -1.26 4.31 3.02 -1.22 -0.63 115.26 120.54 1wf5 n ASN 60 Ca 0.00 -0.44 -0.15 0.00 -0.03 0.00 0.00 54.58 53.96 1wf5 n ASN 60 Cb 0.00 -1.45 -0.07 0.00 -0.61 0.00 0.00 39.78 37.66 1wf5 n ASN 60 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1wf5 n ASN 61 N 14.94 -4.97 -4.81 6.41 5.15 -1.26 -4.92 115.26 125.79 1wf5 n ASN 61 Ca 0.44 0.38 -0.34 0.00 -0.60 0.00 0.00 54.58 54.46 1wf5 n ASN 61 Cb 0.44 -4.15 -0.07 0.00 -0.53 0.00 0.00 39.78 35.47 1wf5 n ASN 61 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wf5 s ALA 62 N -2.27 3.09 0.36 5.20 0.00 0.19 -5.03 121.76 123.30 1wf5 s ALA 62 Ca 0.00 0.40 -0.26 0.00 0.00 0.00 0.00 51.96 52.10 1wf5 s ALA 62 Cb 0.00 -3.13 -0.09 0.00 0.00 0.00 0.00 23.12 19.90 1wf5 s ALA 62 CO 0.00 0.15 1.06 -1.25 0.00 0.00 0.00 175.76 175.72 1wf5 s PRO 63 N -2.97 4.33 -0.44 0.00 0.04 -1.26 -4.00 135.00 130.69 1wf5 s PRO 63 Ca 0.59 1.61 -0.41 0.00 0.04 0.00 0.00 61.00 62.84 1wf5 s PRO 63 Cb -0.11 -2.77 -0.16 0.00 0.04 0.00 0.00 34.50 31.51 1wf5 s PRO 63 CO 0.15 -0.02 2.13 0.91 0.04 0.00 0.00 177.00 180.22 1wf5 n TRP 64 N 0.37 1.37 -3.82 0.56 7.02 -1.26 -4.65 117.44 117.03 1wf5 n TRP 64 Ca 0.03 0.59 -0.36 0.00 -1.02 0.00 0.00 57.50 56.73 1wf5 n TRP 64 Cb 0.48 -2.38 -0.13 0.00 -2.42 0.00 0.00 31.31 26.85 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 6.34 3.58 -0.57 -0.99 -1.32 0.78 -4.88 115.64 118.58 1wf5 s THR 65 Ca 1.15 -0.94 -0.27 0.00 -1.21 0.00 0.00 61.69 60.42 1wf5 s THR 65 Cb -1.25 -2.90 -0.10 0.00 -1.51 0.00 0.00 72.50 66.74 1wf5 s THR 65 CO 0.60 0.03 2.46 0.52 -2.21 0.00 0.00 174.62 176.02 1wf5 n VAL 66 N 4.78 -0.05 -0.01 5.08 0.31 -1.26 -1.75 118.33 125.43 1wf5 n VAL 66 Ca -0.14 -0.64 -0.00 0.00 -0.01 0.00 0.00 64.34 63.55 1wf5 n VAL 66 Cb 0.46 -2.36 -0.00 0.00 -0.91 0.00 0.00 33.84 31.03 1wf5 n VAL 66 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1wf5 h LEU 67 N 17.97 -0.03 -8.26 7.52 3.38 -1.48 -3.44 115.31 130.98 1wf5 h LEU 67 Ca -0.21 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.06 1wf5 h LEU 67 Cb 1.28 0.01 -0.27 0.00 0.09 0.00 0.00 40.66 41.76 1wf5 h LEU 67 CO 1.19 0.18 -0.58 -0.22 0.09 0.00 0.00 178.44 179.10 1wf5 s LEU 68 N -5.90 4.44 -0.18 1.67 0.20 -1.15 -4.95 118.68 112.82 1wf5 s LEU 68 Ca -0.00 -1.08 -0.25 0.00 0.69 0.00 0.00 54.13 53.48 1wf5 s LEU 68 Cb 0.00 -1.92 -0.22 0.00 -0.43 0.00 0.00 46.19 43.62 1wf5 s LEU 68 CO 0.01 -0.34 0.46 0.00 -0.29 0.00 0.00 176.35 176.19 1wf5 h ALA 69 N 8.29 0.15 -1.93 5.97 0.00 -1.85 -0.88 119.26 129.00 1wf5 h ALA 69 Ca -0.24 -0.90 -0.71 0.00 0.00 0.00 0.00 54.91 53.06 1wf5 h ALA 69 Cb 1.09 0.42 -0.20 0.00 0.00 0.00 0.00 17.79 19.09 1wf5 h ALA 69 CO 0.62 0.40 0.07 0.45 0.00 0.00 0.00 179.25 180.79 1wf5 s SER 70 N -6.58 6.18 0.15 0.00 0.15 -1.26 -4.09 113.70 108.25 1wf5 s SER 70 Ca -0.24 -1.48 0.09 0.00 0.70 0.00 0.00 55.95 55.02 1wf5 s SER 70 Cb 0.02 -2.29 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 1wf5 s SER 70 CO 0.64 -1.08 -0.21 -0.69 1.20 0.00 0.00 173.24 173.10 1wf5 s VAL 71 N 2.53 1.96 0.22 4.45 1.01 -1.17 -4.92 120.40 124.48 1wf5 s VAL 71 Ca 0.10 -1.82 -0.30 0.00 0.00 0.00 0.00 61.98 59.96 1wf5 s VAL 71 Cb -0.25 -1.84 -0.09 0.00 0.00 0.00 0.00 36.38 34.20 1wf5 s VAL 71 CO 0.06 -0.15 1.30 -1.81 0.00 0.00 0.00 175.10 174.50 1wf5 s ASP 72 N -2.38 6.89 0.26 3.32 1.11 -1.26 -2.69 116.67 121.92 1wf5 s ASP 72 Ca 0.14 2.44 0.12 0.00 0.18 0.00 0.00 52.55 55.43 1wf5 s ASP 72 Cb -0.08 -2.62 0.27 0.00 1.07 0.00 0.00 42.92 41.57 1wf5 s ASP 72 CO 0.07 -0.51 1.55 1.55 1.18 0.00 0.00 175.17 179.00 1wf5 h PRO 73 N 5.05 0.00 -0.11 8.23 0.13 -1.88 -2.68 132.00 140.74 1wf5 h PRO 73 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1wf5 h PRO 73 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wf5 h PRO 73 CO 0.75 0.63 0.00 1.63 -0.23 0.00 0.00 178.00 180.78 1wf5 n LYS 74 N -3.55 1.34 -4.01 0.86 5.02 -1.26 -4.74 118.16 111.81 1wf5 n LYS 74 Ca -0.00 -0.52 -0.35 0.00 -2.02 0.00 0.00 58.31 55.42 1wf5 n LYS 74 Cb 0.68 -1.23 -0.11 0.00 -0.02 0.00 0.00 35.03 34.35 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 -1.85 3.25 -1.64 7.82 0.00 -1.01 -4.95 121.76 123.37 1wf5 s ALA 75 Ca 0.20 -0.88 0.14 0.00 0.00 0.00 0.00 51.96 51.42 1wf5 s ALA 75 Cb 0.10 -1.90 0.08 0.00 0.00 0.00 0.00 23.12 21.41 1wf5 s ALA 75 CO 0.16 -0.03 0.90 0.25 0.00 0.00 0.00 175.76 177.04 1wf5 n THR 76 N 3.98 0.00 -4.09 0.00 -2.24 -1.26 -4.88 114.28 105.79 1wf5 n THR 76 Ca -0.17 -0.47 -0.09 0.00 -2.27 0.00 0.00 64.05 61.06 1wf5 n THR 76 Cb 0.52 1.26 -0.09 0.00 -2.10 0.00 0.00 70.33 69.92 1wf5 n THR 76 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1wf5 s SER 77 N -1.30 0.27 0.04 3.42 0.15 -1.26 0.13 113.70 115.15 1wf5 s SER 77 Ca 0.15 -1.10 -0.26 0.00 0.70 0.00 0.00 55.95 55.45 1wf5 s SER 77 Cb 0.12 0.31 0.06 0.00 -1.71 0.00 0.00 66.02 64.80 1wf5 s SER 77 CO 0.22 -0.74 0.61 0.54 1.20 0.00 0.00 173.24 175.06 1wf5 s VAL 78 N -4.01 0.01 -0.30 4.45 0.11 0.14 -4.97 120.40 115.83 1wf5 s VAL 78 Ca 0.20 -0.08 -0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1wf5 s VAL 78 Cb 0.07 -0.99 0.06 0.00 -1.53 0.00 0.00 36.38 33.99 1wf5 s VAL 78 CO -0.01 -0.04 -0.01 -0.89 -3.33 0.00 0.00 175.10 170.82 1wf5 s THR 79 N -2.32 2.74 0.35 5.04 2.01 -1.26 0.52 115.64 122.71 1wf5 s THR 79 Ca -0.06 -1.58 -0.25 0.00 0.31 0.00 0.00 61.69 60.11 1wf5 s THR 79 Cb -0.01 -2.64 -0.10 0.00 0.01 0.00 0.00 72.50 69.76 1wf5 s THR 79 CO -0.00 -0.17 0.97 -0.69 -0.69 0.00 0.00 174.62 174.03 1wf5 s VAL 80 N 1.18 4.14 0.21 3.82 1.01 -0.51 -4.87 120.40 125.37 1wf5 s VAL 80 Ca -0.04 1.70 0.01 0.00 0.00 0.00 0.00 61.98 63.65 1wf5 s VAL 80 Cb -0.20 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 1wf5 s VAL 80 CO -0.03 0.07 0.05 -0.54 0.00 0.00 0.00 175.10 174.65 1wf5 s LYS 81 N -2.25 1.24 -0.71 2.72 1.02 -1.26 -1.58 119.74 118.91 1wf5 s LYS 81 Ca 0.53 -1.63 -0.01 0.00 0.02 0.00 0.00 55.97 54.88 1wf5 s LYS 81 Cb -0.18 -0.21 -0.01 0.00 -0.52 0.00 0.00 37.83 36.91 1wf5 s LYS 81 CO 0.23 -0.22 0.67 0.41 -0.92 0.00 0.00 175.35 175.52 1wf5 n GLY 82 N -0.33 -1.15 3.61 -3.33 0.00 -1.16 -4.97 105.19 97.85 1wf5 n GLY 82 Ca -0.03 0.43 -0.27 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.98 2.86 -0.14 0.99 1.43 -1.10 -5.08 118.68 113.65 1wf5 s LEU 83 Ca 0.04 -1.27 -0.15 0.00 -1.03 0.00 0.00 54.13 51.72 1wf5 s LEU 83 Cb -0.01 -1.00 -0.05 0.00 0.03 0.00 0.00 46.19 45.17 1wf5 s LEU 83 CO 0.69 -0.37 0.34 -0.69 0.23 0.00 0.00 176.35 176.55 1wf5 s VAL 84 N -2.66 5.27 0.43 -1.59 1.01 -1.26 -4.94 120.40 116.67 1wf5 s VAL 84 Ca 0.35 0.65 -0.23 0.00 0.00 0.00 0.00 61.98 62.75 1wf5 s VAL 84 Cb 0.07 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 32.69 1wf5 s VAL 84 CO 0.18 0.39 1.05 -2.16 0.00 0.00 0.00 175.10 174.56 1wf5 s PRO 85 N 0.40 4.02 -0.90 2.72 0.04 -1.26 -3.85 135.00 136.17 1wf5 s PRO 85 Ca 0.19 1.46 -0.01 0.00 0.04 0.00 0.00 61.00 62.68 1wf5 s PRO 85 Cb -0.14 -2.37 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 1wf5 s PRO 85 CO 0.06 -0.26 0.76 0.00 0.04 0.00 0.00 177.00 177.60 1wf5 n ALA 86 N -0.41 -1.72 -3.50 8.56 0.00 -0.48 -4.74 120.51 118.23 1wf5 n ALA 86 Ca 0.07 -0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.36 1wf5 n ALA 86 Cb 0.51 -2.78 -0.07 0.00 0.00 0.00 0.00 19.45 17.10 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 -4.77 0.83 0.51 0.00 0.52 -1.24 -4.95 118.95 109.84 1wf5 s ARG 87 Ca 0.11 0.58 -0.17 0.00 -0.52 0.00 0.00 55.73 55.73 1wf5 s ARG 87 Cb -0.01 0.39 -0.08 0.00 0.52 0.00 0.00 34.95 35.77 1wf5 s ARG 87 CO 0.57 -0.17 0.98 -1.12 0.02 0.00 0.00 175.30 175.58 1wf5 s SER 88 N -0.29 6.65 -0.07 0.23 0.01 -1.26 -0.73 113.70 118.24 1wf5 s SER 88 Ca -0.05 1.57 -0.06 0.00 1.31 0.00 0.00 55.95 58.72 1wf5 s SER 88 Cb -0.03 -2.51 0.02 0.00 0.21 0.00 0.00 66.02 63.71 1wf5 s SER 88 CO 0.04 -0.56 0.18 -0.31 0.41 0.00 0.00 173.24 173.00 1wf5 s TYR 89 N -2.58 -0.20 -0.08 2.43 2.02 0.45 -3.41 117.35 115.97 1wf5 s TYR 89 Ca 0.59 0.49 0.02 0.00 -0.37 0.00 0.00 57.07 57.80 1wf5 s TYR 89 Cb -0.10 0.07 0.01 0.00 -0.40 0.00 0.00 41.96 41.54 1wf5 s TYR 89 CO 0.30 -0.10 -0.13 -0.65 -1.57 0.00 0.00 175.55 173.40 1wf5 s GLN 90 N 0.13 1.88 0.13 -0.62 -0.21 -0.62 -1.96 119.66 118.40 1wf5 s GLN 90 Ca -0.00 -0.45 0.07 0.00 0.02 0.00 0.00 55.36 54.99 1wf5 s GLN 90 Cb -0.02 -1.60 -0.04 0.00 1.00 0.00 0.00 33.01 32.35 1wf5 s GLN 90 CO 0.00 -0.03 -0.05 -0.06 -2.12 0.00 0.00 175.29 173.03 1wf5 s PHE 91 N 0.87 2.81 -0.30 0.91 0.08 -1.26 0.51 117.98 121.60 1wf5 s PHE 91 Ca -0.10 -0.13 -0.10 0.00 0.12 0.00 0.00 56.93 56.71 1wf5 s PHE 91 Cb -0.15 -1.42 0.18 0.00 -0.57 0.00 0.00 43.02 41.06 1wf5 s PHE 91 CO 0.01 0.47 1.00 -0.98 -0.10 0.00 0.00 175.22 175.63 1wf5 s ARG 92 N -2.52 0.20 0.31 0.44 1.70 -0.88 -2.30 118.95 115.89 1wf5 s ARG 92 Ca 0.24 0.27 0.07 0.00 -0.47 0.00 0.00 55.73 55.84 1wf5 s ARG 92 Cb -0.10 0.14 -0.02 0.00 -0.57 0.00 0.00 34.95 34.39 1wf5 s ARG 92 CO 0.16 -0.31 0.32 -0.48 -1.08 0.00 0.00 175.30 173.92 1wf5 s LEU 93 N 2.94 3.79 0.41 -1.89 2.34 -1.26 -1.49 118.68 123.52 1wf5 s LEU 93 Ca 0.14 -0.33 0.04 0.00 0.06 0.00 0.00 54.13 54.04 1wf5 s LEU 93 Cb -0.06 -2.42 -0.04 0.00 -0.56 0.00 0.00 46.19 43.11 1wf5 s LEU 93 CO -0.18 -0.29 0.07 0.00 -1.06 0.00 0.00 176.35 174.89 1wf5 s ALA 95 N -3.11 3.21 -0.08 0.00 0.00 -1.24 -3.72 121.76 116.82 1wf5 s ALA 95 Ca 0.25 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.18 1wf5 s ALA 95 Cb 0.05 -2.06 -0.00 0.00 0.00 0.00 0.00 23.12 21.11 1wf5 s ALA 95 CO 0.13 -0.38 -0.22 0.08 0.00 0.00 0.00 175.76 175.37 1wf5 s VAL 96 N 1.41 1.91 0.21 0.00 1.01 -1.03 -1.62 120.40 122.29 1wf5 s VAL 96 Ca 0.05 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.13 1wf5 s VAL 96 Cb -0.15 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 1wf5 s VAL 96 CO 0.04 0.53 0.16 -0.46 0.00 0.00 0.00 175.10 175.37 1wf5 n ASN 97 N 3.43 -0.22 -0.12 3.32 6.94 0.27 -0.47 115.26 128.41 1wf5 n ASN 97 Ca -0.19 -2.32 -0.14 0.00 -0.02 0.00 0.00 54.58 51.92 1wf5 n ASN 97 Cb 0.53 0.96 -0.10 0.00 -2.36 0.00 0.00 39.78 38.81 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 1.20 -1.82 -0.95 0.53 3.58 -1.92 0.15 116.42 117.18 1wf5 h ASP 98 Ca -0.15 0.24 0.19 0.00 0.42 0.00 0.00 57.03 57.73 1wf5 h ASP 98 Cb 0.72 0.74 -0.18 0.00 1.72 0.00 0.00 39.33 42.33 1wf5 h ASP 98 CO 0.22 -0.41 -0.23 -0.37 -2.88 0.00 0.00 179.24 175.56 1wf5 h VAL 99 N -0.42 0.05 0.00 2.25 -1.51 -1.92 -3.47 116.25 111.23 1wf5 h VAL 99 Ca 0.07 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.54 1wf5 h VAL 99 Cb 0.61 0.05 0.00 0.00 -2.13 0.00 0.00 31.29 29.81 1wf5 h VAL 99 CO -0.58 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.37 1wf5 n GLY 100 N -1.60 -0.35 3.53 5.19 0.00 0.52 -5.05 105.19 107.43 1wf5 n GLY 100 Ca 0.15 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 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 2.17 0.00 1.61 2.20 -1.26 0.97 119.74 123.43 1wf5 s LYS 101 Ca 0.00 -0.95 0.00 0.00 -0.36 0.00 0.00 55.97 54.66 1wf5 s LYS 101 Cb 0.00 -2.29 0.00 0.00 -1.51 0.00 0.00 37.83 34.03 1wf5 s LYS 101 CO 0.00 0.54 0.00 0.41 -0.36 0.00 0.00 175.35 175.94 1wf5 n GLY 102 N 1.22 0.28 3.26 5.54 0.00 -0.64 -4.85 105.19 110.00 1wf5 n GLY 102 Ca -0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 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 1.96 1.17 0.47 1.61 -2.07 -1.25 -4.96 119.66 116.59 1wf5 s GLN 103 Ca 0.00 -1.58 0.03 0.00 -1.82 0.00 0.00 55.36 51.99 1wf5 s GLN 103 Cb 0.00 -0.35 0.01 0.00 -1.09 0.00 0.00 33.01 31.58 1wf5 s GLN 103 CO 0.00 -0.13 0.67 -0.06 -1.32 0.00 0.00 175.29 174.45 1wf5 s PHE 104 N -3.61 3.01 0.50 9.60 0.40 -1.26 -3.61 117.98 123.01 1wf5 s PHE 104 Ca 0.26 -0.01 -0.04 0.00 -0.60 0.00 0.00 56.93 56.53 1wf5 s PHE 104 Cb 0.06 -2.46 -0.02 0.00 0.51 0.00 0.00 43.02 41.12 1wf5 s PHE 104 CO 0.05 -0.53 0.79 -1.54 0.70 0.00 0.00 175.22 174.70 1wf5 s SER 105 N -4.31 6.01 0.81 1.36 1.04 -0.70 -4.71 113.70 113.20 1wf5 s SER 105 Ca 0.52 0.76 -0.12 0.00 0.48 0.00 0.00 55.95 57.59 1wf5 s SER 105 Cb -0.10 -1.99 0.09 0.00 0.10 0.00 0.00 66.02 64.12 1wf5 s SER 105 CO 0.36 -0.72 1.16 -0.54 0.98 0.00 0.00 173.24 174.48 1wf5 s LYS 106 N -4.77 1.70 -0.24 4.02 -0.14 -1.26 -4.70 119.74 114.36 1wf5 s LYS 106 Ca 0.49 1.56 -0.28 0.00 -1.36 0.00 0.00 55.97 56.38 1wf5 s LYS 106 Cb -0.10 -1.80 -0.05 0.00 -1.68 0.00 0.00 37.83 34.19 1wf5 s LYS 106 CO 0.44 -2.12 2.24 -0.40 -0.76 0.00 0.00 175.35 174.74 1wf5 n ASP 107 N -3.49 3.18 -4.46 2.83 5.68 -1.26 -4.72 116.55 114.30 1wf5 n ASP 107 Ca 0.12 0.17 -0.35 0.00 -0.50 0.00 0.00 54.79 54.23 1wf5 n ASP 107 Cb 0.52 -1.55 0.09 0.00 -1.14 0.00 0.00 41.12 39.04 1wf5 n ASP 107 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1wf5 n THR 108 N 7.76 1.24 -1.31 2.12 -2.24 -0.97 -4.63 114.28 116.24 1wf5 n THR 108 Ca 0.31 -0.32 -0.61 0.00 -2.27 0.00 0.00 64.05 61.16 1wf5 n THR 108 Cb 0.44 -0.72 -0.12 0.00 -2.10 0.00 0.00 70.33 67.83 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 -1.14 0.00 -1.24 -0.78 2.13 -1.26 -4.48 120.64 113.87 1wf5 n GLU 109 Ca 0.09 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.61 1wf5 n GLU 109 Cb 0.51 -1.48 -0.14 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 6.89 0.00 -3.29 5.31 0.63 -1.26 -4.69 116.66 120.25 1wf5 n ARG 110 Ca 0.51 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 57.05 1wf5 n ARG 110 Cb -0.04 -1.13 -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 0.54 -2.51 0.00 0.00 177.63 175.66 1wf5 s VAL 111 N 5.48 5.05 -0.01 5.15 0.11 -0.83 -4.89 120.40 130.46 1wf5 s VAL 111 Ca 1.11 1.07 0.07 0.00 -2.93 0.00 0.00 61.98 61.31 1wf5 s VAL 111 Cb -0.95 -3.86 -0.02 0.00 -1.53 0.00 0.00 36.38 30.02 1wf5 s VAL 111 CO 0.42 0.40 -0.22 -0.55 -3.33 0.00 0.00 175.10 171.81 1wf5 s SER 112 N 0.06 3.40 0.42 3.54 0.15 -1.26 0.17 113.70 120.18 1wf5 s SER 112 Ca 0.28 -0.42 -0.06 0.00 0.70 0.00 0.00 55.95 56.44 1wf5 s SER 112 Cb -0.17 -0.48 -0.05 0.00 -1.71 0.00 0.00 66.02 63.61 1wf5 s SER 112 CO 0.14 0.31 0.73 -0.22 1.20 0.00 0.00 173.24 175.39 1wf5 s LEU 113 N -0.86 3.78 0.38 3.45 2.96 0.09 -4.84 118.68 123.65 1wf5 s LEU 113 Ca 0.11 0.93 -0.25 0.00 -0.22 0.00 0.00 54.13 54.70 1wf5 s LEU 113 Cb -0.10 -3.83 -0.09 0.00 0.50 0.00 0.00 46.19 42.66 1wf5 s LEU 113 CO 0.01 -0.44 1.06 -2.16 -1.32 0.00 0.00 176.35 173.49 1wf5 s PRO 114 N -4.24 4.23 0.28 0.98 0.04 -1.26 -2.05 135.00 132.98 1wf5 s PRO 114 Ca 0.48 1.56 -0.01 0.00 0.04 0.00 0.00 61.00 63.06 1wf5 s PRO 114 Cb -0.10 -2.64 0.47 0.00 0.04 0.00 0.00 34.50 32.27 1wf5 s PRO 114 CO 0.38 -0.09 1.90 1.49 0.04 0.00 0.00 177.00 180.71 1wf5 h GLU 115 N 2.69 1.08 -3.62 4.56 4.22 -1.93 -1.27 114.58 120.31 1wf5 h GLU 115 Ca -0.48 -0.06 0.17 0.00 0.08 0.00 0.00 59.36 59.06 1wf5 h GLU 115 Cb 1.21 -0.24 -0.09 0.00 0.50 0.00 0.00 28.75 30.13 1wf5 h GLU 115 CO 0.63 0.71 -1.10 0.45 -2.18 0.00 0.00 179.01 177.52 1wf5 n SER 116 N -4.49 -7.97 0.00 1.04 2.88 -1.26 -4.44 113.62 99.39 1wf5 n SER 116 Ca 0.14 1.64 0.00 0.00 -1.33 0.00 0.00 58.87 59.33 1wf5 n SER 116 Cb 0.18 -5.01 0.00 0.00 -0.75 0.00 0.00 64.21 58.63 1wf5 n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wf5 n GLY 117 N -3.47 4.55 0.00 0.46 0.00 -1.26 -5.03 105.19 100.44 1wf5 n GLY 117 Ca -0.05 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1wf5 n GLY 117 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wf5 n PRO 118 N -1.69 0.02 -3.14 1.61 -0.04 -1.26 -5.10 135.00 125.40 1wf5 n PRO 118 Ca 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 1wf5 n PRO 118 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1wf5 n PRO 118 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wf5 s SER 119 N -1.25 -0.46 -0.87 3.54 0.15 -1.26 -5.08 113.70 108.47 1wf5 s SER 119 Ca 0.00 0.05 -0.25 0.00 0.70 0.00 0.00 55.95 56.45 1wf5 s SER 119 Cb 0.00 1.28 -0.10 0.00 -1.71 0.00 0.00 66.02 65.49 1wf5 s SER 119 CO 0.00 -0.08 2.16 -0.94 1.20 0.00 0.00 173.24 175.58 1wf5 s SER 120 N 2.93 4.49 0.00 5.45 1.04 -1.26 -5.37 113.70 120.98 1wf5 s SER 120 Ca 0.27 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1wf5 s SER 120 Cb -0.02 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1wf5 s SER 120 CO -0.23 -3.37 0.00 0.61 0.98 0.00 0.00 173.24 171.23