#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 -0.55 -4.55 1.61 3.41 -1.26 -5.14 113.62 107.15 1wf5 n SER 2 Ca 0.00 0.44 -0.42 0.00 -0.26 0.00 0.00 58.87 58.63 1wf5 n SER 2 Cb 0.00 0.84 0.01 0.00 -0.26 0.00 0.00 64.21 64.80 1wf5 n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wf5 n SER 3 N -2.84 0.41 -4.06 4.04 2.88 -1.26 -5.00 113.62 107.80 1wf5 n SER 3 Ca 0.00 0.99 -0.10 0.00 -1.33 0.00 0.00 58.87 58.42 1wf5 n SER 3 Cb 0.00 -1.26 -0.11 0.00 -0.75 0.00 0.00 64.21 62.09 1wf5 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wf5 s GLY 4 N -0.84 0.45 0.16 0.46 0.00 -1.26 -5.17 107.32 101.13 1wf5 s GLY 4 Ca 0.64 -0.86 -0.13 0.00 0.00 0.00 0.00 44.72 44.37 1wf5 s GLY 4 CO 0.57 -0.94 0.36 -0.45 0.00 0.00 0.00 173.10 172.64 1wf5 s SER 5 N -1.96 -0.08 0.28 1.64 0.15 -1.26 -5.09 113.70 107.38 1wf5 s SER 5 Ca -0.06 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 55.95 1wf5 s SER 5 Cb -0.05 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1wf5 s SER 5 CO -0.02 -0.91 0.00 -0.24 1.20 0.00 0.00 173.24 173.26 1wf5 n SER 6 N -0.23 -0.05 0.00 5.45 2.88 -1.26 -5.15 113.62 115.25 1wf5 n SER 6 Ca -0.10 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1wf5 n SER 6 Cb 0.63 0.35 0.00 0.00 -0.75 0.00 0.00 64.21 64.44 1wf5 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wf5 n GLY 7 N 1.71 2.21 2.05 0.46 0.00 -1.26 -5.11 105.19 105.25 1wf5 n GLY 7 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1wf5 n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1wf5 n ARG 8 N 0.00 0.00 -1.60 1.61 0.00 -1.26 -5.16 116.66 110.25 1wf5 n ARG 8 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1wf5 n ARG 8 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1wf5 n ARG 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1wf5 n SER 9 N -3.25 -8.54 -3.22 6.15 2.88 -1.26 -5.04 113.62 101.34 1wf5 n SER 9 Ca 0.00 1.21 -0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1wf5 n SER 9 Cb 0.00 -4.59 -0.03 0.00 -0.75 0.00 0.00 64.21 58.84 1wf5 n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wf5 s ALA 10 N -2.83 -1.90 -0.30 -1.46 0.00 -1.26 -5.13 121.76 108.87 1wf5 s ALA 10 Ca 0.00 1.58 -0.18 0.00 0.00 0.00 0.00 51.96 53.36 1wf5 s ALA 10 Cb 0.00 -2.01 0.19 0.00 0.00 0.00 0.00 23.12 21.30 1wf5 s ALA 10 CO 0.00 -1.30 1.25 -1.58 0.00 0.00 0.00 175.76 174.13 1wf5 s HIS 11 N 2.77 -0.15 0.30 0.00 2.46 -1.26 -5.15 115.29 114.26 1wf5 s HIS 11 Ca 0.18 0.26 0.00 0.00 0.47 0.00 0.00 55.06 55.97 1wf5 s HIS 11 Cb -0.15 0.09 0.00 0.00 -0.13 0.00 0.00 32.58 32.39 1wf5 s HIS 11 CO -0.19 -0.07 0.00 -0.11 -2.47 0.00 0.00 174.74 171.89 1wf5 n LEU 12 N 4.29 -0.56 -4.34 8.88 7.94 -1.26 -4.83 117.00 127.13 1wf5 n LEU 12 Ca -0.09 1.28 -0.37 0.00 -1.11 0.00 0.00 56.01 55.72 1wf5 n LEU 12 Cb 0.55 -3.08 0.05 0.00 0.53 0.00 0.00 43.42 41.48 1wf5 n LEU 12 CO -0.03 -2.14 -0.34 0.54 -1.11 0.00 0.00 177.39 174.32 1wf5 n ARG 13 N -3.60 0.15 -3.28 1.96 3.00 -1.26 -4.91 116.66 108.72 1wf5 n ARG 13 Ca -0.02 0.07 -0.39 0.00 -0.01 0.00 0.00 57.85 57.51 1wf5 n ARG 13 Cb 0.45 -1.51 -0.07 0.00 0.00 0.00 0.00 32.46 31.33 1wf5 n ARG 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1wf5 s VAL 14 N -1.98 5.13 -0.86 1.55 0.11 -1.26 -5.01 120.40 118.08 1wf5 s VAL 14 Ca 0.59 0.92 -0.24 0.00 -2.93 0.00 0.00 61.98 60.31 1wf5 s VAL 14 Cb -0.34 -3.82 0.05 0.00 -1.53 0.00 0.00 36.38 30.74 1wf5 s VAL 14 CO 0.65 0.21 1.30 -0.13 -3.33 0.00 0.00 175.10 173.79 1wf5 s ARG 15 N 1.44 3.38 0.31 1.54 0.52 -1.26 -4.54 118.95 120.34 1wf5 s ARG 15 Ca 0.24 -0.81 -0.05 0.00 -0.52 0.00 0.00 55.73 54.58 1wf5 s ARG 15 Cb -0.15 -4.73 -0.05 0.00 0.52 0.00 0.00 34.95 30.54 1wf5 s ARG 15 CO 0.09 -2.10 0.58 -1.14 0.02 0.00 0.00 175.30 172.75 1wf5 s GLN 16 N 4.93 3.62 0.01 3.54 2.00 -0.59 -5.01 119.66 128.16 1wf5 s GLN 16 Ca 0.38 0.01 -0.16 0.00 -2.00 0.00 0.00 55.36 53.59 1wf5 s GLN 16 Cb -0.06 -2.62 -0.06 0.00 0.80 0.00 0.00 33.01 31.07 1wf5 s GLN 16 CO 0.02 0.18 0.45 -0.51 -0.50 0.00 0.00 175.29 174.92 1wf5 s LEU 17 N -3.68 4.47 -0.22 3.68 1.43 -1.26 -4.51 118.68 118.59 1wf5 s LEU 17 Ca 0.44 1.02 -0.29 0.00 -1.03 0.00 0.00 54.13 54.27 1wf5 s LEU 17 Cb -0.11 -2.66 -0.01 0.00 0.03 0.00 0.00 46.19 43.44 1wf5 s LEU 17 CO 0.31 0.29 1.31 -2.16 0.23 0.00 0.00 176.35 176.33 1wf5 s PRO 18 N -0.97 4.08 1.08 1.29 0.04 -0.94 -4.63 135.00 134.95 1wf5 s PRO 18 Ca 0.25 1.50 -0.12 0.00 0.04 0.00 0.00 61.00 62.67 1wf5 s PRO 18 Cb -0.17 -3.83 0.24 0.00 0.04 0.00 0.00 34.50 30.77 1wf5 s PRO 18 CO 0.14 -0.91 1.06 -3.38 0.04 0.00 0.00 177.00 173.95 1wf5 s HIS 19 N 3.97 1.57 0.93 0.56 -3.43 -1.21 -3.57 115.29 114.11 1wf5 s HIS 19 Ca 0.57 1.28 -0.11 0.00 -0.80 0.00 0.00 55.06 56.00 1wf5 s HIS 19 Cb -0.20 -3.16 0.15 0.00 -1.43 0.00 0.00 32.58 27.94 1wf5 s HIS 19 CO 0.19 -3.45 1.11 0.00 -2.00 0.00 0.00 174.74 170.59 1wf5 s ALA 20 N -2.59 1.26 0.59 -1.38 0.00 -1.24 -4.38 121.76 114.03 1wf5 s ALA 20 Ca 0.67 0.31 -0.15 0.00 0.00 0.00 0.00 51.96 52.79 1wf5 s ALA 20 Cb -0.23 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1wf5 s ALA 20 CO 0.62 -2.73 1.05 -1.25 0.00 0.00 0.00 175.76 173.45 1wf5 s PRO 21 N -4.70 3.36 0.49 0.00 0.04 -1.26 -4.63 135.00 128.30 1wf5 s PRO 21 Ca 0.66 1.15 0.05 0.00 0.04 0.00 0.00 61.00 62.90 1wf5 s PRO 21 Cb -0.21 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.33 1wf5 s PRO 21 CO 0.59 -0.77 0.40 0.39 0.04 0.00 0.00 177.00 177.64 1wf5 n GLU 22 N -2.07 0.76 -4.10 4.56 1.02 -1.23 -4.51 120.64 115.07 1wf5 n GLU 22 Ca 0.08 -3.01 -0.34 0.00 -0.02 0.00 0.00 57.16 53.87 1wf5 n GLU 22 Cb 0.53 0.27 -0.05 0.00 -0.02 0.00 0.00 31.44 32.17 1wf5 n GLU 22 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1wf5 n HIS 23 N -1.69 -1.16 -1.81 -0.32 -0.00 -1.26 0.10 115.22 109.08 1wf5 n HIS 23 Ca -0.00 0.33 -0.40 0.00 0.46 0.00 0.00 57.72 58.12 1wf5 n HIS 23 Cb 0.55 -2.49 -0.03 0.00 -0.12 0.00 0.00 29.99 27.91 1wf5 n HIS 23 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1wf5 n PRO 24 N -4.40 2.26 -3.70 1.57 -0.04 -1.26 -3.68 135.00 125.75 1wf5 n PRO 24 Ca -0.21 -2.49 -0.37 0.00 -0.04 0.00 0.00 63.50 60.38 1wf5 n PRO 24 Cb 0.57 -3.31 -0.06 0.00 -0.04 0.00 0.00 33.50 30.66 1wf5 n PRO 24 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1wf5 s VAL 25 N 5.60 5.29 -0.15 0.52 1.01 0.85 -4.34 120.40 129.18 1wf5 s VAL 25 Ca 0.56 0.50 -0.01 0.00 0.00 0.00 0.00 61.98 63.03 1wf5 s VAL 25 Cb 0.09 -3.55 0.04 0.00 0.00 0.00 0.00 36.38 32.96 1wf5 s VAL 25 CO 0.06 0.59 -0.02 0.00 0.00 0.00 0.00 175.10 175.73 1wf5 s ALA 26 N -0.98 1.15 0.13 5.51 0.00 -1.26 -0.27 121.76 126.05 1wf5 s ALA 26 Ca 0.19 -0.60 0.09 0.00 0.00 0.00 0.00 51.96 51.65 1wf5 s ALA 26 Cb -0.14 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 1wf5 s ALA 26 CO 0.08 -0.77 -0.23 0.95 0.00 0.00 0.00 175.76 175.79 1wf5 s THR 27 N 1.78 1.97 1.29 0.00 -4.23 -0.66 -4.85 115.64 110.95 1wf5 s THR 27 Ca 0.02 -1.73 -0.17 0.00 -1.18 0.00 0.00 61.69 58.63 1wf5 s THR 27 Cb -0.15 -1.80 0.33 0.00 1.34 0.00 0.00 72.50 72.22 1wf5 s THR 27 CO -0.07 -0.06 0.97 -0.76 -0.54 0.00 0.00 174.62 174.16 1wf5 s LEU 28 N -2.17 -0.11 -0.59 4.79 1.43 -1.26 0.22 118.68 120.98 1wf5 s LEU 28 Ca 0.12 1.28 -0.11 0.00 -1.03 0.00 0.00 54.13 54.39 1wf5 s LEU 28 Cb -0.09 -2.96 0.15 0.00 0.03 0.00 0.00 46.19 43.32 1wf5 s LEU 28 CO 0.06 -4.83 0.49 -0.55 0.23 0.00 0.00 176.35 171.75 1wf5 s SER 29 N -2.63 6.02 -0.68 2.29 0.15 0.99 -3.89 113.70 115.95 1wf5 s SER 29 Ca 0.69 -2.17 -0.05 0.00 0.70 0.00 0.00 55.95 55.12 1wf5 s SER 29 Cb -0.21 -2.09 -0.06 0.00 -1.71 0.00 0.00 66.02 61.94 1wf5 s SER 29 CO 0.63 -0.67 2.04 0.35 1.20 0.00 0.00 173.24 176.78 1wf5 n THR 30 N 4.62 2.10 0.00 6.45 -2.24 -1.26 -2.42 114.28 121.53 1wf5 n THR 30 Ca -0.03 -1.22 0.00 0.00 -2.27 0.00 0.00 64.05 60.53 1wf5 n THR 30 Cb 0.42 -2.02 0.00 0.00 -2.10 0.00 0.00 70.33 66.63 1wf5 n THR 30 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1wf5 n VAL 31 N 3.97 0.00 -3.62 2.28 3.14 -1.26 -5.11 118.33 117.73 1wf5 n VAL 31 Ca 0.37 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.38 1wf5 n VAL 31 Cb 0.19 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.87 1wf5 n VAL 31 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1wf5 s GLU 32 N -1.92 4.06 0.24 1.45 -6.30 -1.01 -5.06 118.70 110.15 1wf5 s GLU 32 Ca 0.00 -0.23 -0.30 0.00 -2.50 0.00 0.00 54.97 51.95 1wf5 s GLU 32 Cb 0.00 -3.56 -0.09 0.00 0.00 0.00 0.00 34.13 30.48 1wf5 s GLU 32 CO 0.00 -0.00 1.20 1.03 0.02 0.00 0.00 175.26 177.51 1wf5 s ARG 33 N 1.24 4.50 -1.18 4.30 1.81 -1.26 -3.21 118.95 125.14 1wf5 s ARG 33 Ca 0.09 1.93 -0.04 0.00 -1.72 0.00 0.00 55.73 56.00 1wf5 s ARG 33 Cb -0.14 -3.19 0.00 0.00 -0.45 0.00 0.00 34.95 31.17 1wf5 s ARG 33 CO 0.06 -0.03 1.01 0.54 -0.68 0.00 0.00 175.30 176.20 1wf5 n ARG 34 N 1.83 -6.73 -3.79 3.54 1.74 -1.26 -4.83 116.66 107.16 1wf5 n ARG 34 Ca 0.02 0.79 -0.13 0.00 -0.77 0.00 0.00 57.85 57.76 1wf5 n ARG 34 Cb 0.44 -5.65 -0.12 0.00 -1.02 0.00 0.00 32.46 26.11 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 -3.32 -0.54 -0.04 7.54 0.00 -1.20 -2.73 121.76 121.48 1wf5 s ALA 35 Ca 0.23 0.65 0.07 0.00 0.00 0.00 0.00 51.96 52.90 1wf5 s ALA 35 Cb -0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 1wf5 s ALA 35 CO 0.68 -0.11 -0.24 0.42 0.00 0.00 0.00 175.76 176.51 1wf5 s ILE 36 N 0.21 1.92 -0.48 0.00 1.01 -1.02 -0.01 121.20 122.84 1wf5 s ILE 36 Ca -0.01 -1.02 -0.19 0.00 0.00 0.00 0.00 60.65 59.43 1wf5 s ILE 36 Cb -0.02 -1.61 0.04 0.00 0.01 0.00 0.00 42.46 40.88 1wf5 s ILE 36 CO -0.00 0.54 0.61 0.20 0.00 0.00 0.00 174.94 176.29 1wf5 s ASN 37 N -0.33 6.25 -0.01 3.58 0.01 0.58 -1.51 114.94 123.51 1wf5 s ASN 37 Ca 0.02 -0.72 -0.23 0.00 -0.71 0.00 0.00 52.86 51.22 1wf5 s ASN 37 Cb -0.11 -2.29 -0.05 0.00 0.41 0.00 0.00 41.25 39.21 1wf5 s ASN 37 CO 0.01 -0.83 0.67 -0.22 -1.51 0.00 0.00 177.10 175.23 1wf5 s LEU 38 N 2.64 4.39 -0.03 0.60 1.98 0.41 -1.65 118.68 127.03 1wf5 s LEU 38 Ca 0.17 1.24 0.01 0.00 -2.89 0.00 0.00 54.13 52.66 1wf5 s LEU 38 Cb -0.17 -3.05 0.02 0.00 0.66 0.00 0.00 46.19 43.65 1wf5 s LEU 38 CO 0.14 0.01 -0.02 0.42 -1.89 0.00 0.00 176.35 175.01 1wf5 s THR 39 N 0.15 0.32 0.28 3.68 -4.23 0.63 -0.52 115.64 115.96 1wf5 s THR 39 Ca 0.35 -0.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.88 1wf5 s THR 39 Cb -0.19 -0.38 -0.03 0.00 1.34 0.00 0.00 72.50 73.24 1wf5 s THR 39 CO 0.19 0.17 0.24 -1.66 -0.54 0.00 0.00 174.62 173.02 1wf5 s TRP 40 N 0.89 1.45 0.21 3.99 -2.14 0.77 -0.10 118.94 124.01 1wf5 s TRP 40 Ca -0.10 -1.51 0.04 0.00 2.66 0.00 0.00 56.10 57.19 1wf5 s TRP 40 Cb -0.13 -0.59 -0.03 0.00 -3.10 0.00 0.00 33.47 29.61 1wf5 s TRP 40 CO -0.01 -0.80 0.32 0.99 -2.66 0.00 0.00 176.95 174.79 1wf5 s THR 41 N -3.70 5.20 -0.36 0.66 2.01 0.28 -4.72 115.64 115.01 1wf5 s THR 41 Ca 0.39 -0.94 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 1wf5 s THR 41 Cb 0.04 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.78 1wf5 s THR 41 CO 0.21 -0.26 1.28 -0.75 -0.69 0.00 0.00 174.62 174.41 1wf5 s LYS 42 N -3.73 3.82 0.73 4.92 2.36 -1.26 -3.48 119.74 123.10 1wf5 s LYS 42 Ca 0.34 1.05 -0.11 0.00 -2.55 0.00 0.00 55.97 54.70 1wf5 s LYS 42 Cb -0.10 -3.90 0.03 0.00 -1.05 0.00 0.00 37.83 32.81 1wf5 s LYS 42 CO 0.28 -1.24 1.07 -1.25 1.55 0.00 0.00 175.35 175.76 1wf5 s PRO 43 N 4.33 2.69 -0.43 4.03 0.04 -1.26 -4.89 135.00 139.52 1wf5 s PRO 43 Ca 0.55 0.86 -0.27 0.00 0.04 0.00 0.00 61.00 62.18 1wf5 s PRO 43 Cb -0.14 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1wf5 s PRO 43 CO 0.26 -1.25 2.10 0.12 0.04 0.00 0.00 177.00 178.27 1wf5 s PHE 44 N -3.08 1.40 0.08 0.56 5.36 -1.26 -4.86 117.98 116.18 1wf5 s PHE 44 Ca 0.59 0.96 -0.15 0.00 -0.96 0.00 0.00 56.93 57.37 1wf5 s PHE 44 Cb -0.14 -3.90 -0.03 0.00 -0.34 0.00 0.00 43.02 38.61 1wf5 s PHE 44 CO 0.55 -2.89 1.06 -0.40 -1.46 0.00 0.00 175.22 172.08 1wf5 n ASP 45 N 13.02 -0.51 0.00 6.13 5.75 -1.26 -3.30 116.55 136.38 1wf5 n ASP 45 Ca 0.28 1.18 0.00 0.00 -0.01 0.00 0.00 54.79 56.24 1wf5 n ASP 45 Cb 0.50 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 1wf5 n ASP 45 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wf5 n GLY 46 N -1.12 0.67 5.00 6.12 0.00 -1.26 -2.20 105.19 112.40 1wf5 n GLY 46 Ca 0.01 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 0.00 -4.88 1.61 4.13 -1.26 -1.54 115.26 113.31 1wf5 n ASN 47 Ca 0.00 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.94 1wf5 n ASN 47 Cb 0.00 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.19 1wf5 n ASN 47 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1wf5 s SER 48 N 0.00 6.59 0.54 6.41 0.01 -1.26 -5.00 113.70 121.00 1wf5 s SER 48 Ca 0.00 0.86 -0.18 0.00 1.31 0.00 0.00 55.95 57.94 1wf5 s SER 48 Cb 0.00 -2.20 -0.06 0.00 0.21 0.00 0.00 66.02 63.97 1wf5 s SER 48 CO 0.00 -0.06 1.04 -2.16 0.41 0.00 0.00 173.24 172.47 1wf5 s PRO 49 N -2.83 3.56 1.00 12.44 0.04 -1.26 -4.71 135.00 143.23 1wf5 s PRO 49 Ca 0.46 1.25 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 1wf5 s PRO 49 Cb -0.11 -2.07 0.19 0.00 0.04 0.00 0.00 34.50 32.55 1wf5 s PRO 49 CO 0.22 -0.62 1.10 -0.51 0.04 0.00 0.00 177.00 177.23 1wf5 s LEU 50 N -4.05 1.59 0.08 -3.56 1.43 -1.26 -3.84 118.68 109.06 1wf5 s LEU 50 Ca 0.65 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.90 1wf5 s LEU 50 Cb -0.16 -3.34 0.00 0.00 0.03 0.00 0.00 46.19 42.73 1wf5 s LEU 50 CO 0.30 -3.12 0.00 -0.38 0.23 0.00 0.00 176.35 173.37 1wf5 n ILE 51 N -4.17 0.51 -3.87 -0.59 5.41 0.21 -4.78 119.36 112.09 1wf5 n ILE 51 Ca 0.05 0.17 -0.09 0.00 1.00 0.00 0.00 62.75 63.88 1wf5 n ILE 51 Cb 0.57 -1.30 -0.00 0.00 -0.71 0.00 0.00 39.64 38.20 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 -2.00 2.03 0.08 0.38 1.70 -0.76 -4.34 118.95 116.04 1wf5 s ARG 52 Ca 0.00 -1.35 0.05 0.00 -0.47 0.00 0.00 55.73 53.97 1wf5 s ARG 52 Cb 0.00 0.59 -0.03 0.00 -0.57 0.00 0.00 34.95 34.94 1wf5 s ARG 52 CO 0.00 -0.93 -0.15 0.71 -1.08 0.00 0.00 175.30 173.86 1wf5 s TYR 53 N -2.95 1.28 -0.39 5.89 1.51 -1.15 -1.28 117.35 120.27 1wf5 s TYR 53 Ca 0.17 -0.48 0.02 0.00 -1.01 0.00 0.00 57.07 55.77 1wf5 s TYR 53 Cb -0.04 -0.71 0.11 0.00 -0.11 0.00 0.00 41.96 41.20 1wf5 s TYR 53 CO 0.11 0.08 0.13 0.42 -1.11 0.00 0.00 175.55 175.18 1wf5 s ILE 54 N -1.46 2.61 -0.45 2.71 1.01 -1.23 -3.41 121.20 120.98 1wf5 s ILE 54 Ca 0.01 -2.44 -0.22 0.00 0.00 0.00 0.00 60.65 58.00 1wf5 s ILE 54 Cb -0.09 -2.87 0.03 0.00 0.01 0.00 0.00 42.46 39.54 1wf5 s ILE 54 CO 0.02 -0.66 0.71 -0.22 0.00 0.00 0.00 174.94 174.79 1wf5 s LEU 55 N 0.75 4.43 -0.19 2.97 1.98 -0.69 -2.84 118.68 125.09 1wf5 s LEU 55 Ca 0.11 -0.31 -0.08 0.00 -2.89 0.00 0.00 54.13 50.96 1wf5 s LEU 55 Cb -0.21 -2.79 -0.04 0.00 0.66 0.00 0.00 46.19 43.81 1wf5 s LEU 55 CO -0.06 -0.86 0.09 -1.61 -1.89 0.00 0.00 176.35 172.02 1wf5 s GLU 56 N 3.02 4.06 -0.03 1.98 2.02 -0.57 -2.37 118.70 126.82 1wf5 s GLU 56 Ca 0.25 -0.29 -0.03 0.00 0.02 0.00 0.00 54.97 54.92 1wf5 s GLU 56 Cb -0.14 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 1wf5 s GLU 56 CO 0.20 0.29 0.15 1.41 0.02 0.00 0.00 175.26 177.32 1wf5 s MET 57 N 0.35 3.34 -0.32 1.61 -2.45 -1.03 -2.03 119.30 118.78 1wf5 s MET 57 Ca 0.05 -0.33 0.02 0.00 -1.25 0.00 0.00 55.69 54.18 1wf5 s MET 57 Cb -0.12 -3.05 0.09 0.00 1.25 0.00 0.00 34.83 33.01 1wf5 s MET 57 CO -0.01 0.69 0.05 0.45 1.05 0.00 0.00 175.02 177.25 1wf5 s SER 58 N -1.70 4.40 0.71 1.11 0.15 -0.27 -1.58 113.70 116.51 1wf5 s SER 58 Ca 0.24 -1.85 0.00 0.00 0.70 0.00 0.00 55.95 55.04 1wf5 s SER 58 Cb -0.12 -1.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.88 1wf5 s SER 58 CO 0.15 -0.37 0.00 1.21 1.20 0.00 0.00 173.24 175.42 1wf5 n GLU 59 N 4.51 -0.54 -1.54 5.44 2.13 -1.26 -1.23 120.64 128.16 1wf5 n GLU 59 Ca -0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 1wf5 n GLU 59 Cb 0.42 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.06 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 -2.13 1.55 -2.16 4.31 3.02 -1.22 -0.47 115.26 118.15 1wf5 n ASN 60 Ca 0.00 -0.65 -0.20 0.00 -0.03 0.00 0.00 54.58 53.70 1wf5 n ASN 60 Cb 0.00 -1.41 -0.03 0.00 -0.61 0.00 0.00 39.78 37.72 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 14.95 -5.58 -4.86 6.41 5.15 -1.26 -4.95 115.26 125.12 1wf5 n ASN 61 Ca 0.47 0.15 -0.33 0.00 -0.60 0.00 0.00 54.58 54.27 1wf5 n ASN 61 Cb 0.40 -4.73 -0.06 0.00 -0.53 0.00 0.00 39.78 34.86 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 -2.91 3.56 0.39 5.20 0.00 0.37 -5.06 121.76 123.31 1wf5 s ALA 62 Ca 0.00 -0.21 -0.25 0.00 0.00 0.00 0.00 51.96 51.50 1wf5 s ALA 62 Cb 0.00 -2.48 -0.09 0.00 0.00 0.00 0.00 23.12 20.55 1wf5 s ALA 62 CO 0.00 0.48 1.06 -1.25 0.00 0.00 0.00 175.76 176.05 1wf5 s PRO 63 N -2.52 4.20 -0.34 0.00 0.04 -1.26 -4.02 135.00 131.10 1wf5 s PRO 63 Ca 0.44 1.55 -0.39 0.00 0.04 0.00 0.00 61.00 62.65 1wf5 s PRO 63 Cb -0.12 -2.61 -0.15 0.00 0.04 0.00 0.00 34.50 31.66 1wf5 s PRO 63 CO 0.20 -0.12 1.97 0.91 0.04 0.00 0.00 177.00 180.00 1wf5 n TRP 64 N 0.05 1.77 -3.95 0.56 7.02 -1.26 -4.70 117.44 116.93 1wf5 n TRP 64 Ca 0.04 0.48 -0.35 0.00 -1.02 0.00 0.00 57.50 56.65 1wf5 n TRP 64 Cb 0.49 -2.46 -0.14 0.00 -2.42 0.00 0.00 31.31 26.78 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 5.29 3.01 -0.57 -0.99 -1.32 -0.62 -4.92 115.64 115.53 1wf5 s THR 65 Ca 1.06 -0.83 -0.28 0.00 -1.21 0.00 0.00 61.69 60.42 1wf5 s THR 65 Cb -1.06 -2.46 -0.10 0.00 -1.51 0.00 0.00 72.50 67.37 1wf5 s THR 65 CO 0.60 0.29 2.45 0.52 -2.21 0.00 0.00 174.62 176.27 1wf5 n VAL 66 N 4.72 -0.03 -0.04 5.08 0.31 -1.26 -2.46 118.33 124.64 1wf5 n VAL 66 Ca -0.17 -0.59 -0.02 0.00 -0.01 0.00 0.00 64.34 63.55 1wf5 n VAL 66 Cb 0.49 -2.24 -0.01 0.00 -0.91 0.00 0.00 33.84 31.16 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 17.37 0.00 -8.25 7.52 3.38 -1.84 -3.45 115.31 130.04 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 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.76 1wf5 h LEU 67 CO 1.19 0.44 -0.58 -0.76 0.09 0.00 0.00 178.44 178.82 1wf5 s LEU 68 N -6.99 4.40 -0.14 1.67 1.43 -1.07 -4.95 118.68 113.03 1wf5 s LEU 68 Ca -0.06 -1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 51.83 1wf5 s LEU 68 Cb 0.01 -1.91 -0.08 0.00 0.03 0.00 0.00 46.19 44.24 1wf5 s LEU 68 CO 0.10 -0.34 0.06 0.00 0.23 0.00 0.00 176.35 176.40 1wf5 h ALA 69 N 8.28 0.05 -1.72 4.21 0.00 -1.87 -1.83 119.26 126.38 1wf5 h ALA 69 Ca -0.24 -0.52 -0.65 0.00 0.00 0.00 0.00 54.91 53.50 1wf5 h ALA 69 Cb 1.09 0.37 -0.16 0.00 0.00 0.00 0.00 17.79 19.09 1wf5 h ALA 69 CO 0.62 0.36 0.44 0.45 0.00 0.00 0.00 179.25 181.11 1wf5 s SER 70 N -5.97 6.18 0.10 0.00 0.15 -1.26 -4.10 113.70 108.79 1wf5 s SER 70 Ca -0.14 -1.10 0.09 0.00 0.70 0.00 0.00 55.95 55.50 1wf5 s SER 70 Cb 0.02 -2.39 -0.03 0.00 -1.71 0.00 0.00 66.02 61.90 1wf5 s SER 70 CO 0.29 -1.36 -0.24 -0.69 1.20 0.00 0.00 173.24 172.44 1wf5 s VAL 71 N 3.73 1.98 0.12 4.45 1.01 -1.22 -4.94 120.40 125.53 1wf5 s VAL 71 Ca 0.19 -1.56 -0.31 0.00 0.00 0.00 0.00 61.98 60.31 1wf5 s VAL 71 Cb -0.19 -1.76 -0.08 0.00 0.00 0.00 0.00 36.38 34.36 1wf5 s VAL 71 CO 0.09 0.10 1.39 -1.81 0.00 0.00 0.00 175.10 174.86 1wf5 s ASP 72 N -1.77 6.83 0.41 3.32 1.11 -1.26 -2.95 116.67 122.36 1wf5 s ASP 72 Ca 0.10 2.33 0.23 0.00 0.18 0.00 0.00 52.55 55.39 1wf5 s ASP 72 Cb -0.10 -2.59 0.66 0.00 1.07 0.00 0.00 42.92 41.96 1wf5 s ASP 72 CO 0.04 -0.65 1.71 1.55 1.18 0.00 0.00 175.17 179.01 1wf5 h PRO 73 N 6.72 0.00 -0.00 8.23 0.13 -1.90 -2.57 132.00 142.60 1wf5 h PRO 73 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 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 0.86 0.23 -0.12 1.63 -0.23 0.00 0.00 178.00 180.37 1wf5 n LYS 74 N -3.26 0.19 -3.42 0.86 5.02 -1.26 -4.79 118.16 111.50 1wf5 n LYS 74 Ca 0.01 -0.04 -0.38 0.00 -2.02 0.00 0.00 58.31 55.88 1wf5 n LYS 74 Cb 0.51 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.96 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 -2.84 3.66 -0.23 7.82 0.00 -0.97 -4.96 121.76 124.24 1wf5 s ALA 75 Ca 0.18 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.03 1wf5 s ALA 75 Cb 0.19 -2.48 0.02 0.00 0.00 0.00 0.00 23.12 20.86 1wf5 s ALA 75 CO 0.54 0.46 0.64 0.25 0.00 0.00 0.00 175.76 177.65 1wf5 n THR 76 N 1.69 0.17 -3.87 0.00 -2.24 -1.26 -4.91 114.28 103.86 1wf5 n THR 76 Ca -0.12 -0.59 -0.11 0.00 -2.27 0.00 0.00 64.05 60.96 1wf5 n THR 76 Cb 0.52 0.95 -0.11 0.00 -2.10 0.00 0.00 70.33 69.59 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 -0.30 -0.01 0.04 3.42 1.04 -1.26 -0.17 113.70 116.47 1wf5 s SER 77 Ca 0.03 -0.09 -0.03 0.00 0.48 0.00 0.00 55.95 56.34 1wf5 s SER 77 Cb 0.02 0.23 -0.02 0.00 0.10 0.00 0.00 66.02 66.34 1wf5 s SER 77 CO 0.02 -0.27 0.03 0.54 0.98 0.00 0.00 173.24 174.54 1wf5 s VAL 78 N -0.97 0.16 -0.19 5.02 0.11 0.32 -4.95 120.40 119.91 1wf5 s VAL 78 Ca -0.11 -1.36 -0.01 0.00 -2.93 0.00 0.00 61.98 57.58 1wf5 s VAL 78 Cb -0.06 -1.08 0.01 0.00 -1.53 0.00 0.00 36.38 33.72 1wf5 s VAL 78 CO 0.01 -0.75 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.01 1wf5 s THR 79 N -3.05 2.63 -0.48 5.04 2.01 -1.26 0.16 115.64 120.69 1wf5 s THR 79 Ca -0.01 -0.75 -0.20 0.00 0.31 0.00 0.00 61.69 61.04 1wf5 s THR 79 Cb 0.02 -2.15 0.04 0.00 0.01 0.00 0.00 72.50 70.42 1wf5 s THR 79 CO -0.07 0.49 0.66 -0.69 -0.69 0.00 0.00 174.62 174.33 1wf5 s VAL 80 N 1.29 4.80 0.21 3.82 1.01 -0.57 -4.91 120.40 126.06 1wf5 s VAL 80 Ca 0.04 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1wf5 s VAL 80 Cb -0.14 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 1wf5 s VAL 80 CO -0.08 -0.73 0.37 -0.54 0.00 0.00 0.00 175.10 174.13 1wf5 s LYS 81 N 2.85 3.48 -0.21 2.72 1.02 -1.26 -2.43 119.74 125.91 1wf5 s LYS 81 Ca 0.20 -0.51 -0.04 0.00 0.02 0.00 0.00 55.97 55.64 1wf5 s LYS 81 Cb -0.16 -2.87 0.01 0.00 -0.52 0.00 0.00 37.83 34.29 1wf5 s LYS 81 CO 0.16 0.41 0.25 0.41 -0.92 0.00 0.00 175.35 175.66 1wf5 n GLY 82 N -0.92 -0.85 3.35 -3.33 0.00 -1.10 -5.02 105.19 97.32 1wf5 n GLY 82 Ca -0.06 0.31 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.00 2.30 -0.08 0.99 1.43 -1.24 -5.08 118.68 115.00 1wf5 s LEU 83 Ca 0.07 -1.20 -0.18 0.00 -1.03 0.00 0.00 54.13 51.79 1wf5 s LEU 83 Cb -0.02 -0.38 -0.05 0.00 0.03 0.00 0.00 46.19 45.77 1wf5 s LEU 83 CO 0.30 -0.45 0.47 -0.69 0.23 0.00 0.00 176.35 176.21 1wf5 s VAL 84 N -3.29 5.12 0.34 -1.59 1.01 -1.26 -4.91 120.40 115.82 1wf5 s VAL 84 Ca 0.28 0.96 -0.27 0.00 0.00 0.00 0.00 61.98 62.95 1wf5 s VAL 84 Cb 0.05 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.53 1wf5 s VAL 84 CO 0.09 0.39 1.07 -2.16 0.00 0.00 0.00 175.10 174.49 1wf5 s PRO 85 N 0.18 4.42 -0.88 2.72 0.04 -1.26 -3.58 135.00 136.64 1wf5 s PRO 85 Ca 0.26 1.65 -0.02 0.00 0.04 0.00 0.00 61.00 62.93 1wf5 s PRO 85 Cb -0.16 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.50 1wf5 s PRO 85 CO 0.12 0.06 0.75 0.00 0.04 0.00 0.00 177.00 177.96 1wf5 n ALA 86 N 0.60 -1.23 -3.18 8.56 0.00 -0.91 -4.74 120.51 119.61 1wf5 n ALA 86 Ca 0.02 0.08 -0.13 0.00 0.00 0.00 0.00 53.44 53.41 1wf5 n ALA 86 Cb 0.47 -2.62 -0.10 0.00 0.00 0.00 0.00 19.45 17.20 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 -5.30 0.52 0.36 0.00 0.52 -1.23 -4.93 118.95 108.89 1wf5 s ARG 87 Ca 0.15 -0.08 -0.24 0.00 -0.52 0.00 0.00 55.73 55.04 1wf5 s ARG 87 Cb -0.07 0.23 -0.10 0.00 0.52 0.00 0.00 34.95 35.53 1wf5 s ARG 87 CO 0.51 -0.12 0.93 -1.12 0.02 0.00 0.00 175.30 175.52 1wf5 s SER 88 N -0.92 7.17 -0.08 0.23 0.01 -1.26 -1.16 113.70 117.69 1wf5 s SER 88 Ca -0.10 1.75 -0.03 0.00 1.31 0.00 0.00 55.95 58.88 1wf5 s SER 88 Cb -0.05 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 63.67 1wf5 s SER 88 CO 0.02 -0.18 0.17 -0.31 0.41 0.00 0.00 173.24 173.36 1wf5 s TYR 89 N -1.83 -0.21 0.13 2.43 2.02 0.46 -3.36 117.35 116.98 1wf5 s TYR 89 Ca 0.54 0.58 0.06 0.00 -0.37 0.00 0.00 57.07 57.88 1wf5 s TYR 89 Cb -0.15 -0.07 -0.04 0.00 -0.40 0.00 0.00 41.96 41.31 1wf5 s TYR 89 CO 0.19 -0.20 -0.02 -0.65 -1.57 0.00 0.00 175.55 173.31 1wf5 s GLN 90 N 1.31 2.40 0.03 -0.62 -0.21 -0.36 -2.78 119.66 119.43 1wf5 s GLN 90 Ca -0.08 -0.99 0.03 0.00 0.02 0.00 0.00 55.36 54.34 1wf5 s GLN 90 Cb -0.11 -2.42 -0.02 0.00 1.00 0.00 0.00 33.01 31.46 1wf5 s GLN 90 CO -0.07 0.50 -0.09 -0.06 -2.12 0.00 0.00 175.29 173.45 1wf5 s PHE 91 N -1.46 0.80 -0.30 0.91 0.08 -1.26 -1.12 117.98 115.64 1wf5 s PHE 91 Ca 0.25 -0.33 -0.07 0.00 0.12 0.00 0.00 56.93 56.91 1wf5 s PHE 91 Cb -0.11 -0.49 0.18 0.00 -0.57 0.00 0.00 43.02 42.04 1wf5 s PHE 91 CO 0.17 -0.02 0.84 -0.98 -0.10 0.00 0.00 175.22 175.14 1wf5 s ARG 92 N -1.00 0.36 0.11 0.44 1.70 -0.86 -2.16 118.95 117.54 1wf5 s ARG 92 Ca -0.02 0.57 0.07 0.00 -0.47 0.00 0.00 55.73 55.88 1wf5 s ARG 92 Cb -0.07 0.31 -0.04 0.00 -0.57 0.00 0.00 34.95 34.58 1wf5 s ARG 92 CO 0.00 -0.45 -0.11 -0.48 -1.08 0.00 0.00 175.30 173.19 1wf5 s LEU 93 N 2.91 3.00 0.49 -1.89 2.34 -1.26 -1.51 118.68 122.76 1wf5 s LEU 93 Ca 0.11 -0.41 0.05 0.00 0.06 0.00 0.00 54.13 53.94 1wf5 s LEU 93 Cb -0.11 -1.80 -0.01 0.00 -0.56 0.00 0.00 46.19 43.71 1wf5 s LEU 93 CO -0.17 0.17 0.19 0.00 -1.06 0.00 0.00 176.35 175.48 1wf5 s ALA 95 N -2.74 3.25 -0.10 0.00 0.00 -1.23 -3.47 121.76 117.47 1wf5 s ALA 95 Ca 0.28 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.43 1wf5 s ALA 95 Cb 0.01 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.27 1wf5 s ALA 95 CO 0.16 0.04 -0.22 0.08 0.00 0.00 0.00 175.76 175.82 1wf5 s VAL 96 N 0.64 1.93 0.29 0.00 1.01 -0.40 -0.80 120.40 123.07 1wf5 s VAL 96 Ca 0.02 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1wf5 s VAL 96 Cb -0.13 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1wf5 s VAL 96 CO 0.02 0.53 0.15 0.54 0.00 0.00 0.00 175.10 176.34 1wf5 s ASN 97 N 0.39 1.43 0.27 3.32 4.22 0.16 0.67 114.94 125.39 1wf5 s ASN 97 Ca -0.18 -1.53 -0.04 0.00 -2.14 0.00 0.00 52.86 48.96 1wf5 s ASN 97 Cb -0.18 0.36 0.54 0.00 1.28 0.00 0.00 41.25 43.26 1wf5 s ASN 97 CO 0.08 -0.87 1.62 -2.24 -2.04 0.00 0.00 177.10 173.65 1wf5 h ASP 98 N 2.25 -0.35 -0.11 3.54 2.03 -1.87 0.34 116.42 122.25 1wf5 h ASP 98 Ca -0.34 0.22 0.05 0.00 -0.73 0.00 0.00 57.03 56.22 1wf5 h ASP 98 Cb 1.25 0.37 -0.06 0.00 -0.83 0.00 0.00 39.33 40.06 1wf5 h ASP 98 CO 0.53 -0.22 -0.27 0.58 -1.03 0.00 0.00 179.24 178.83 1wf5 h VAL 99 N 0.10 0.37 0.00 4.15 2.07 -1.88 -3.48 116.25 117.58 1wf5 h VAL 99 Ca 0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.99 1wf5 h VAL 99 Cb 0.88 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1wf5 h VAL 99 CO -0.73 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.47 1wf5 n GLY 100 N -1.38 -0.51 3.56 2.17 0.00 0.12 -5.09 105.19 104.06 1wf5 n GLY 100 Ca -0.03 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.41 3.54 0.00 1.61 2.20 -1.26 0.40 119.74 124.81 1wf5 s LYS 101 Ca 0.00 -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 55.14 1wf5 s LYS 101 Cb 0.00 -2.92 0.00 0.00 -1.51 0.00 0.00 37.83 33.40 1wf5 s LYS 101 CO 0.00 0.37 0.00 0.41 -0.36 0.00 0.00 175.35 175.77 1wf5 n GLY 102 N 3.17 1.80 3.26 5.54 0.00 0.02 -4.96 105.19 114.02 1wf5 n GLY 102 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 0.02 1.29 0.10 1.61 0.00 -1.26 -4.94 119.66 116.48 1wf5 s GLN 103 Ca 0.00 -1.68 -0.02 0.00 -0.00 0.00 0.00 55.36 53.66 1wf5 s GLN 103 Cb 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 33.01 32.95 1wf5 s GLN 103 CO 0.00 -0.33 0.29 -0.06 0.00 0.00 0.00 175.29 175.19 1wf5 s PHE 104 N -3.93 3.50 0.83 9.60 0.40 -1.26 -3.54 117.98 123.58 1wf5 s PHE 104 Ca 0.37 0.38 -0.11 0.00 -0.60 0.00 0.00 56.93 56.97 1wf5 s PHE 104 Cb 0.07 -1.86 0.09 0.00 0.51 0.00 0.00 43.02 41.83 1wf5 s PHE 104 CO 0.12 0.52 1.09 -1.54 0.70 0.00 0.00 175.22 176.11 1wf5 s SER 105 N -2.52 4.03 0.95 1.36 1.04 -0.96 -4.84 113.70 112.76 1wf5 s SER 105 Ca 0.38 1.57 -0.11 0.00 0.48 0.00 0.00 55.95 58.28 1wf5 s SER 105 Cb -0.13 -2.28 0.16 0.00 0.10 0.00 0.00 66.02 63.87 1wf5 s SER 105 CO 0.27 -2.30 1.07 0.29 0.98 0.00 0.00 173.24 173.55 1wf5 n LYS 106 N -3.67 -0.67 -1.89 4.02 4.76 -1.26 -4.67 118.16 114.78 1wf5 n LYS 106 Ca 0.08 -0.13 -0.43 0.00 -2.87 0.00 0.00 58.31 54.95 1wf5 n LYS 106 Cb 0.55 -2.31 -0.03 0.00 -1.84 0.00 0.00 35.03 31.39 1wf5 n LYS 106 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1wf5 s ASP 107 N -2.56 5.75 0.40 4.39 1.47 -1.26 -4.69 116.67 120.18 1wf5 s ASP 107 Ca 0.66 1.45 -0.23 0.00 1.18 0.00 0.00 52.55 55.61 1wf5 s ASP 107 Cb -0.23 -2.52 -0.12 0.00 -0.34 0.00 0.00 42.92 39.71 1wf5 s ASP 107 CO 0.60 -1.79 0.68 0.35 0.68 0.00 0.00 175.17 175.68 1wf5 n THR 108 N 7.51 1.97 -1.41 2.11 -2.24 -0.92 -4.69 114.28 116.62 1wf5 n THR 108 Ca 0.25 -0.50 -0.55 0.00 -2.27 0.00 0.00 64.05 60.97 1wf5 n THR 108 Cb 0.46 -0.69 -0.08 0.00 -2.10 0.00 0.00 70.33 67.93 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 0.50 0.00 -1.42 -0.78 2.13 -1.26 -4.43 120.64 115.38 1wf5 n GLU 109 Ca 0.11 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.55 1wf5 n GLU 109 Cb 0.38 -1.36 -0.14 0.00 0.27 0.00 0.00 31.44 30.59 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 -3.37 5.31 0.63 -1.26 -4.84 116.66 115.07 1wf5 n ARG 110 Ca 0.21 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.76 1wf5 n ARG 110 Cb 0.04 -1.40 -0.06 0.00 0.45 0.00 0.00 32.46 31.49 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 8.19 5.19 -0.01 5.15 1.01 -1.12 -4.94 120.40 133.88 1wf5 s VAL 111 Ca 1.29 0.88 0.08 0.00 0.00 0.00 0.00 61.98 64.22 1wf5 s VAL 111 Cb -1.18 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 31.41 1wf5 s VAL 111 CO 0.47 0.36 -0.25 -0.44 0.00 0.00 0.00 175.10 175.24 1wf5 s SER 112 N 0.45 2.94 0.42 3.32 0.01 -1.26 0.17 113.70 119.75 1wf5 s SER 112 Ca 0.24 -0.47 -0.09 0.00 1.31 0.00 0.00 55.95 56.94 1wf5 s SER 112 Cb -0.15 -0.32 -0.06 0.00 0.21 0.00 0.00 66.02 65.71 1wf5 s SER 112 CO 0.09 0.29 0.76 -0.22 0.41 0.00 0.00 173.24 174.58 1wf5 s LEU 113 N -0.70 3.78 0.31 2.44 2.96 -0.31 -4.93 118.68 122.23 1wf5 s LEU 113 Ca 0.10 1.05 -0.28 0.00 -0.22 0.00 0.00 54.13 54.78 1wf5 s LEU 113 Cb -0.10 -3.95 -0.09 0.00 0.50 0.00 0.00 46.19 42.55 1wf5 s LEU 113 CO -0.00 -0.44 1.07 -2.16 -1.32 0.00 0.00 176.35 173.49 1wf5 s PRO 114 N -4.10 4.51 0.38 0.98 0.04 -1.26 -2.14 135.00 133.41 1wf5 s PRO 114 Ca 0.50 1.69 -0.27 0.00 0.04 0.00 0.00 61.00 62.96 1wf5 s PRO 114 Cb -0.10 -3.00 -0.09 0.00 0.04 0.00 0.00 34.50 31.35 1wf5 s PRO 114 CO 0.35 0.13 1.30 -2.00 0.04 0.00 0.00 177.00 176.81 1wf5 s GLU 115 N -1.75 4.09 -0.17 4.56 2.12 -1.26 -2.71 118.70 123.57 1wf5 s GLU 115 Ca 0.48 2.15 0.01 0.00 0.36 0.00 0.00 54.97 57.97 1wf5 s GLU 115 Cb -0.28 -2.85 0.03 0.00 0.26 0.00 0.00 34.13 31.29 1wf5 s GLU 115 CO 0.36 -0.39 -0.11 -1.54 -0.54 0.00 0.00 175.26 173.04 1wf5 s SER 116 N -0.68 3.05 0.00 -1.70 1.04 -1.26 -4.88 113.70 109.26 1wf5 s SER 116 Ca 0.54 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1wf5 s SER 116 Cb -0.38 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 64.56 1wf5 s SER 116 CO 0.49 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.21 1wf5 n GLY 117 N 4.74 -1.45 3.81 7.32 0.00 -1.26 -4.94 105.19 113.40 1wf5 n GLY 117 Ca -0.15 -1.69 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 1wf5 n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wf5 s PRO 118 N 0.00 3.49 -0.10 1.61 0.04 -1.26 -4.95 135.00 133.83 1wf5 s PRO 118 Ca 0.00 1.21 -0.29 0.00 0.04 0.00 0.00 61.00 61.96 1wf5 s PRO 118 Cb 0.00 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 1wf5 s PRO 118 CO 0.00 -0.67 1.82 -1.12 0.04 0.00 0.00 177.00 177.07 1wf5 s SER 119 N -2.64 6.34 -0.23 6.66 0.01 -1.26 -4.97 113.70 117.61 1wf5 s SER 119 Ca 0.64 2.12 -0.04 0.00 1.31 0.00 0.00 55.95 59.98 1wf5 s SER 119 Cb -0.15 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.54 1wf5 s SER 119 CO 0.33 -1.22 -0.02 -0.55 0.41 0.00 0.00 173.24 172.18 1wf5 s SER 120 N 4.67 4.45 0.00 2.44 0.15 -1.26 -5.24 113.70 118.92 1wf5 s SER 120 Ca 0.81 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.07 1wf5 s SER 120 Cb -0.33 -1.77 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 1wf5 s SER 120 CO 0.34 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.35