#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf5 n SER 2 N 0.00 -7.39 -3.58 1.61 3.41 -1.26 -5.07 113.62 101.35 1wf5 n SER 2 Ca 0.00 1.31 0.02 0.00 -0.26 0.00 0.00 58.87 59.94 1wf5 n SER 2 Cb 0.00 -4.73 -0.01 0.00 -0.26 0.00 0.00 64.21 59.21 1wf5 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wf5 s SER 3 N -7.10 -0.00 0.00 4.04 0.15 -1.26 -5.17 113.70 104.36 1wf5 s SER 3 Ca 0.00 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1wf5 s SER 3 Cb 0.00 0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1wf5 s SER 3 CO 0.00 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1wf5 n GLY 4 N -0.36 -1.88 0.11 9.45 0.00 -1.26 -5.01 105.19 106.24 1wf5 n GLY 4 Ca -0.06 -1.18 -0.19 0.00 0.00 0.00 0.00 46.02 44.59 1wf5 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wf5 n SER 5 N 0.00 1.88 -1.21 1.61 3.41 -1.26 -5.10 113.62 112.95 1wf5 n SER 5 Ca 0.00 0.43 0.15 0.00 -0.26 0.00 0.00 58.87 59.19 1wf5 n SER 5 Cb 0.00 -0.89 -0.08 0.00 -0.26 0.00 0.00 64.21 62.98 1wf5 n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wf5 n SER 6 N -4.43 -6.62 -4.69 4.04 7.64 -1.26 -4.74 113.62 103.56 1wf5 n SER 6 Ca -0.31 1.21 -0.42 0.00 1.01 0.00 0.00 58.87 60.35 1wf5 n SER 6 Cb 0.64 -4.16 -0.03 0.00 -1.01 0.00 0.00 64.21 59.65 1wf5 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wf5 s GLY 7 N -6.75 1.90 -0.08 0.23 0.00 -1.26 -5.01 107.32 96.36 1wf5 s GLY 7 Ca 0.00 0.92 -0.06 0.00 0.00 0.00 0.00 44.72 45.58 1wf5 s GLY 7 CO 0.00 2.46 0.20 1.09 0.00 0.00 0.00 173.10 176.85 1wf5 s ARG 8 N 2.13 0.21 -0.16 2.90 1.04 -1.26 -5.15 118.95 118.66 1wf5 s ARG 8 Ca 0.64 0.32 -0.13 0.00 -1.04 0.00 0.00 55.73 55.51 1wf5 s ARG 8 Cb -0.32 0.05 0.04 0.00 -2.04 0.00 0.00 34.95 32.68 1wf5 s ARG 8 CO 0.27 -0.06 0.41 -1.12 -0.04 0.00 0.00 175.30 174.76 1wf5 s SER 9 N 0.37 -0.44 -0.22 -2.89 0.01 -1.26 -5.14 113.70 104.13 1wf5 s SER 9 Ca -0.02 0.83 -0.09 0.00 1.31 0.00 0.00 55.95 57.98 1wf5 s SER 9 Cb -0.04 0.82 -0.04 0.00 0.21 0.00 0.00 66.02 66.97 1wf5 s SER 9 CO -0.02 -0.15 0.12 0.00 0.41 0.00 0.00 173.24 173.60 1wf5 s ALA 10 N 0.40 3.48 0.10 1.44 0.00 -1.26 -4.94 121.76 120.99 1wf5 s ALA 10 Ca -0.02 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1wf5 s ALA 10 Cb -0.04 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1wf5 s ALA 10 CO -0.02 -0.12 0.00 1.58 0.00 0.00 0.00 175.76 177.21 1wf5 n HIS 11 N 4.14 -0.27 -3.36 0.00 -0.00 -1.26 -4.91 115.22 109.56 1wf5 n HIS 11 Ca -0.16 0.05 -0.43 0.00 0.46 0.00 0.00 57.72 57.65 1wf5 n HIS 11 Cb 0.52 0.07 -0.01 0.00 -0.12 0.00 0.00 29.99 30.45 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 -3.33 5.34 -1.24 0.27 4.32 -1.26 -4.97 117.00 116.13 1wf5 n LEU 12 Ca 0.00 -5.09 0.09 0.00 -0.02 0.00 0.00 56.01 51.00 1wf5 n LEU 12 Cb 0.00 -1.36 -0.05 0.00 -1.62 0.00 0.00 43.42 40.39 1wf5 n LEU 12 CO 0.00 1.45 -0.49 0.54 -1.22 0.00 0.00 177.39 177.67 1wf5 n ARG 13 N 2.39 -3.01 -4.11 3.23 1.74 -1.26 -4.92 116.66 110.72 1wf5 n ARG 13 Ca 0.24 2.42 -0.34 0.00 -0.77 0.00 0.00 57.85 59.40 1wf5 n ARG 13 Cb 0.38 -3.28 -0.07 0.00 -1.02 0.00 0.00 32.46 28.47 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 -4.48 4.80 -0.93 1.55 0.11 -1.26 -4.93 120.40 115.25 1wf5 s VAL 14 Ca 0.00 -0.28 -0.12 0.00 -2.93 0.00 0.00 61.98 58.65 1wf5 s VAL 14 Cb 0.00 -3.15 0.24 0.00 -1.53 0.00 0.00 36.38 31.93 1wf5 s VAL 14 CO 0.00 0.43 0.90 -0.13 -3.33 0.00 0.00 175.10 172.97 1wf5 s ARG 15 N -1.49 3.82 0.25 1.54 0.52 -1.26 -4.45 118.95 117.88 1wf5 s ARG 15 Ca 0.20 -2.71 -0.08 0.00 -0.52 0.00 0.00 55.73 52.62 1wf5 s ARG 15 Cb -0.12 -4.49 -0.06 0.00 0.52 0.00 0.00 34.95 30.80 1wf5 s ARG 15 CO 0.11 -1.29 0.54 -1.14 0.02 0.00 0.00 175.30 173.54 1wf5 s GLN 16 N -0.26 3.73 0.40 3.54 2.00 -1.26 -4.94 119.66 122.87 1wf5 s GLN 16 Ca 0.23 0.17 -0.24 0.00 -2.00 0.00 0.00 55.36 53.52 1wf5 s GLN 16 Cb -0.10 -2.66 -0.09 0.00 0.80 0.00 0.00 33.01 30.97 1wf5 s GLN 16 CO -0.09 0.29 1.04 -0.51 -0.50 0.00 0.00 175.29 175.53 1wf5 s LEU 17 N -3.06 4.12 0.91 3.68 1.43 -1.26 -3.85 118.68 120.66 1wf5 s LEU 17 Ca 0.46 2.02 -0.12 0.00 -1.03 0.00 0.00 54.13 55.46 1wf5 s LEU 17 Cb -0.11 -4.21 0.14 0.00 0.03 0.00 0.00 46.19 42.04 1wf5 s LEU 17 CO 0.24 -0.50 1.14 -2.16 0.23 0.00 0.00 176.35 175.31 1wf5 s PRO 18 N -2.54 1.12 0.17 1.29 0.04 -1.26 -3.95 135.00 129.87 1wf5 s PRO 18 Ca 0.58 0.28 0.03 0.00 0.04 0.00 0.00 61.00 61.93 1wf5 s PRO 18 Cb -0.21 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 1wf5 s PRO 18 CO 0.27 -2.21 0.30 -1.01 0.04 0.00 0.00 177.00 174.39 1wf5 s HIS 19 N -3.28 3.46 0.92 0.56 3.76 -1.16 -4.10 115.29 115.45 1wf5 s HIS 19 Ca 0.64 0.07 -0.11 0.00 -0.15 0.00 0.00 55.06 55.51 1wf5 s HIS 19 Cb -0.15 -1.63 0.14 0.00 1.11 0.00 0.00 32.58 32.06 1wf5 s HIS 19 CO 0.53 0.50 1.10 0.00 -0.85 0.00 0.00 174.74 176.02 1wf5 s ALA 20 N -1.81 1.35 -0.17 -1.40 0.00 -1.25 -4.34 121.76 114.14 1wf5 s ALA 20 Ca 0.34 0.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.27 1wf5 s ALA 20 Cb -0.10 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 1wf5 s ALA 20 CO 0.28 -2.63 1.28 -1.25 0.00 0.00 0.00 175.76 173.45 1wf5 s PRO 21 N -4.74 4.21 0.86 0.00 0.04 -1.26 -4.55 135.00 129.55 1wf5 s PRO 21 Ca 0.65 1.65 -0.12 0.00 0.04 0.00 0.00 61.00 63.22 1wf5 s PRO 21 Cb -0.21 -3.78 0.13 0.00 0.04 0.00 0.00 34.50 30.68 1wf5 s PRO 21 CO 0.58 -0.74 1.21 -1.21 0.04 0.00 0.00 177.00 176.88 1wf5 s GLU 22 N 3.57 1.41 -1.44 4.56 8.01 -1.22 -4.20 118.70 129.39 1wf5 s GLU 22 Ca 0.55 -0.23 -0.08 0.00 0.01 0.00 0.00 54.97 55.23 1wf5 s GLU 22 Cb -0.22 -1.96 0.01 0.00 -4.31 0.00 0.00 34.13 27.66 1wf5 s GLU 22 CO 0.16 -1.90 0.25 1.58 0.01 0.00 0.00 175.26 175.36 1wf5 n HIS 23 N -3.43 -1.39 -2.30 1.61 -0.00 -1.26 0.15 115.22 108.59 1wf5 n HIS 23 Ca 0.11 0.52 -0.38 0.00 0.46 0.00 0.00 57.72 58.44 1wf5 n HIS 23 Cb 0.60 -3.01 -0.03 0.00 -0.12 0.00 0.00 29.99 27.43 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 -7.18 2.96 0.07 1.57 0.04 -1.26 -3.78 135.00 127.43 1wf5 s PRO 24 Ca 0.12 -0.11 0.03 0.00 0.04 0.00 0.00 61.00 61.08 1wf5 s PRO 24 Cb -0.06 -4.58 -0.04 0.00 0.04 0.00 0.00 34.50 29.86 1wf5 s PRO 24 CO 0.97 -2.55 0.08 0.14 0.04 0.00 0.00 177.00 175.68 1wf5 s VAL 25 N 7.42 4.56 -0.25 -0.36 -7.23 -0.08 -4.60 120.40 119.86 1wf5 s VAL 25 Ca 0.53 -0.73 -0.02 0.00 -1.81 0.00 0.00 61.98 59.95 1wf5 s VAL 25 Cb -0.08 -3.19 0.12 0.00 0.56 0.00 0.00 36.38 33.79 1wf5 s VAL 25 CO 0.10 0.15 0.27 0.00 -0.31 0.00 0.00 175.10 175.31 1wf5 s ALA 26 N -1.37 -0.44 0.35 1.32 0.00 -1.26 -1.85 121.76 118.51 1wf5 s ALA 26 Ca 0.29 0.02 0.09 0.00 0.00 0.00 0.00 51.96 52.36 1wf5 s ALA 26 Cb -0.12 -1.60 -0.07 0.00 0.00 0.00 0.00 23.12 21.33 1wf5 s ALA 26 CO 0.21 -1.47 -0.08 0.95 0.00 0.00 0.00 175.76 175.38 1wf5 s THR 27 N 2.36 2.17 0.90 0.00 -4.23 0.13 -4.70 115.64 112.27 1wf5 s THR 27 Ca 0.09 -2.17 -0.13 0.00 -1.18 0.00 0.00 61.69 58.30 1wf5 s THR 27 Cb -0.15 -2.70 0.14 0.00 1.34 0.00 0.00 72.50 71.13 1wf5 s THR 27 CO -0.23 -0.17 1.17 -0.76 -0.54 0.00 0.00 174.62 174.09 1wf5 s LEU 28 N -3.62 2.19 -0.30 4.79 1.43 -1.26 0.22 118.68 122.12 1wf5 s LEU 28 Ca 0.33 0.79 -0.10 0.00 -1.03 0.00 0.00 54.13 54.12 1wf5 s LEU 28 Cb 0.04 -3.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.15 1wf5 s LEU 28 CO 0.17 -2.47 0.15 -0.44 0.23 0.00 0.00 176.35 173.99 1wf5 s SER 29 N -4.31 5.59 -0.33 2.29 0.01 0.37 -4.11 113.70 113.21 1wf5 s SER 29 Ca 0.65 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.51 1wf5 s SER 29 Cb -0.12 -2.02 0.30 0.00 0.21 0.00 0.00 66.02 64.40 1wf5 s SER 29 CO 0.52 -0.16 1.82 0.35 0.41 0.00 0.00 173.24 176.18 1wf5 n THR 30 N 4.99 2.65 0.00 1.44 -2.24 -1.26 -4.01 114.28 115.85 1wf5 n THR 30 Ca -0.14 -1.55 0.00 0.00 -2.27 0.00 0.00 64.05 60.09 1wf5 n THR 30 Cb 0.50 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 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 -0.09 0.00 -3.32 2.28 0.24 -1.26 -5.08 118.33 111.10 1wf5 n VAL 31 Ca 0.35 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.23 1wf5 n VAL 31 Cb 0.82 -0.02 -0.09 0.00 -1.47 0.00 0.00 33.84 33.09 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 -1.48 3.47 0.25 7.34 8.01 -1.26 -5.03 118.70 130.00 1wf5 s GLU 32 Ca 0.00 -0.41 -0.31 0.00 0.01 0.00 0.00 54.97 54.26 1wf5 s GLU 32 Cb 0.00 -3.85 -0.13 0.00 -4.31 0.00 0.00 34.13 25.84 1wf5 s GLU 32 CO 0.00 -0.65 1.47 0.54 0.01 0.00 0.00 175.26 176.63 1wf5 n ARG 33 N 5.58 2.24 -3.86 1.61 5.12 -1.26 -1.82 116.66 124.27 1wf5 n ARG 33 Ca -0.07 0.80 -0.25 0.00 -1.93 0.00 0.00 57.85 56.40 1wf5 n ARG 33 Cb 0.49 -2.50 0.01 0.00 -1.16 0.00 0.00 32.46 29.30 1wf5 n ARG 33 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1wf5 n ARG 34 N 2.15 -4.21 -4.32 5.56 5.12 -1.26 -4.63 116.66 115.07 1wf5 n ARG 34 Ca 0.11 0.51 -0.18 0.00 -1.93 0.00 0.00 57.85 56.36 1wf5 n ARG 34 Cb 0.33 -4.94 -0.15 0.00 -1.16 0.00 0.00 32.46 26.54 1wf5 n ARG 34 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wf5 s ALA 35 N -3.73 0.68 0.00 7.54 0.00 -0.75 -2.11 121.76 123.39 1wf5 s ALA 35 Ca 0.12 -0.36 0.08 0.00 0.00 0.00 0.00 51.96 51.81 1wf5 s ALA 35 Cb -0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 1wf5 s ALA 35 CO 0.85 0.16 -0.26 0.42 0.00 0.00 0.00 175.76 176.94 1wf5 s ILE 36 N -0.21 2.12 -0.18 0.00 1.01 -0.80 0.14 121.20 123.28 1wf5 s ILE 36 Ca 0.03 -1.20 -0.08 0.00 0.00 0.00 0.00 60.65 59.40 1wf5 s ILE 36 Cb -0.03 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1wf5 s ILE 36 CO -0.00 0.50 0.08 0.20 0.00 0.00 0.00 174.94 175.72 1wf5 s ASN 37 N -0.85 5.83 -0.05 3.58 0.01 0.59 -1.31 114.94 122.74 1wf5 s ASN 37 Ca 0.11 0.14 0.05 0.00 -0.71 0.00 0.00 52.86 52.45 1wf5 s ASN 37 Cb -0.10 -2.00 -0.00 0.00 0.41 0.00 0.00 41.25 39.55 1wf5 s ASN 37 CO 0.00 0.19 -0.19 -0.22 -1.51 0.00 0.00 177.10 175.37 1wf5 s LEU 38 N 0.31 1.96 -0.06 0.60 2.96 0.65 0.20 118.68 125.28 1wf5 s LEU 38 Ca 0.05 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 1wf5 s LEU 38 Cb -0.12 -1.08 0.04 0.00 0.50 0.00 0.00 46.19 45.53 1wf5 s LEU 38 CO -0.00 0.18 0.14 0.42 -1.32 0.00 0.00 176.35 175.76 1wf5 s THR 39 N -0.00 -0.10 0.45 3.68 -4.23 -0.77 -0.13 115.64 114.53 1wf5 s THR 39 Ca -0.04 0.23 0.03 0.00 -1.18 0.00 0.00 61.69 60.73 1wf5 s THR 39 Cb -0.12 -0.24 -0.02 0.00 1.34 0.00 0.00 72.50 73.46 1wf5 s THR 39 CO 0.03 0.10 0.08 -1.66 -0.54 0.00 0.00 174.62 172.63 1wf5 s TRP 40 N 1.46 1.82 0.19 3.99 -2.14 0.47 -0.90 118.94 123.83 1wf5 s TRP 40 Ca -0.06 -1.17 0.04 0.00 2.66 0.00 0.00 56.10 57.58 1wf5 s TRP 40 Cb -0.12 -1.33 -0.03 0.00 -3.10 0.00 0.00 33.47 28.89 1wf5 s TRP 40 CO -0.06 -0.11 0.26 0.99 -2.66 0.00 0.00 176.95 175.38 1wf5 s THR 41 N -3.08 5.02 -0.40 0.66 2.01 0.38 -4.71 115.64 115.53 1wf5 s THR 41 Ca 0.17 -0.94 -0.29 0.00 0.31 0.00 0.00 61.69 60.94 1wf5 s THR 41 Cb 0.02 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.91 1wf5 s THR 41 CO 0.10 -0.19 1.20 -0.75 -0.69 0.00 0.00 174.62 174.29 1wf5 s LYS 42 N -3.49 3.81 1.05 4.92 2.36 -1.26 -3.38 119.74 123.76 1wf5 s LYS 42 Ca 0.33 0.87 -0.17 0.00 -2.55 0.00 0.00 55.97 54.46 1wf5 s LYS 42 Cb -0.10 -3.88 0.22 0.00 -1.05 0.00 0.00 37.83 33.02 1wf5 s LYS 42 CO 0.27 -1.25 1.21 -1.25 1.55 0.00 0.00 175.35 175.87 1wf5 s PRO 43 N 4.30 -0.02 -0.14 4.03 0.04 -1.26 -4.94 135.00 137.00 1wf5 s PRO 43 Ca 0.51 -0.15 -0.22 0.00 0.04 0.00 0.00 61.00 61.18 1wf5 s PRO 43 Cb -0.11 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 1wf5 s PRO 43 CO 0.26 -2.90 0.67 0.12 0.04 0.00 0.00 177.00 175.19 1wf5 s PHE 44 N -3.43 3.46 0.07 0.56 2.19 -1.26 -4.91 117.98 114.66 1wf5 s PHE 44 Ca 0.71 1.08 -0.30 0.00 0.33 0.00 0.00 56.93 58.75 1wf5 s PHE 44 Cb -0.08 -2.81 -0.05 0.00 -1.31 0.00 0.00 43.02 38.77 1wf5 s PHE 44 CO 0.54 -0.06 1.07 0.16 1.83 0.00 0.00 175.22 178.76 1wf5 s ASP 45 N 1.00 7.27 0.25 6.13 -4.77 -1.26 -2.97 116.67 122.32 1wf5 s ASP 45 Ca 0.33 1.87 -0.03 0.00 -3.30 0.00 0.00 52.55 51.42 1wf5 s ASP 45 Cb -0.16 -2.58 0.49 0.00 -1.09 0.00 0.00 42.92 39.57 1wf5 s ASP 45 CO 0.13 -0.30 1.75 1.23 0.70 0.00 0.00 175.17 178.69 1wf5 h GLY 46 N 6.34 1.27 0.00 2.12 0.00 -1.69 -3.44 103.07 107.68 1wf5 h GLY 46 Ca -0.42 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1wf5 h GLY 46 CO 0.76 -0.04 0.00 -2.01 0.00 0.00 0.00 176.54 175.25 1wf5 n ASN 47 N -4.91 0.00 -4.94 0.19 5.15 -1.26 -4.37 115.26 105.12 1wf5 n ASN 47 Ca 0.15 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.90 1wf5 n ASN 47 Cb 0.41 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.65 1wf5 n ASN 47 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1wf5 s SER 48 N -0.77 6.19 0.46 1.20 0.15 -1.26 -5.04 113.70 114.63 1wf5 s SER 48 Ca 0.00 0.46 -0.21 0.00 0.70 0.00 0.00 55.95 56.89 1wf5 s SER 48 Cb 0.00 -1.94 -0.09 0.00 -1.71 0.00 0.00 66.02 62.28 1wf5 s SER 48 CO 0.00 -0.41 1.04 -2.16 1.20 0.00 0.00 173.24 172.91 1wf5 s PRO 49 N -4.41 3.89 0.31 5.44 0.04 -1.26 -4.83 135.00 134.18 1wf5 s PRO 49 Ca 0.42 1.40 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 1wf5 s PRO 49 Cb -0.10 -2.21 -0.10 0.00 0.04 0.00 0.00 34.50 32.13 1wf5 s PRO 49 CO 0.37 -0.36 1.39 -0.51 0.04 0.00 0.00 177.00 177.93 1wf5 s LEU 50 N -3.27 4.39 -0.24 -3.56 1.43 -1.26 -4.17 118.68 112.00 1wf5 s LEU 50 Ca 0.65 2.75 -0.13 0.00 -1.03 0.00 0.00 54.13 56.37 1wf5 s LEU 50 Cb -0.18 -3.64 -0.16 0.00 0.03 0.00 0.00 46.19 42.23 1wf5 s LEU 50 CO 0.22 -0.65 -0.10 -0.38 0.23 0.00 0.00 176.35 175.67 1wf5 n ILE 51 N 1.27 1.55 -3.40 -0.59 5.41 0.53 -4.68 119.36 119.45 1wf5 n ILE 51 Ca 0.02 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.43 1wf5 n ILE 51 Cb 0.41 -1.83 0.00 0.00 -0.71 0.00 0.00 39.64 37.50 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 -4.05 0.00 -3.74 0.38 1.85 -0.10 -4.09 116.66 106.91 1wf5 n ARG 52 Ca -0.45 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.28 1wf5 n ARG 52 Cb 0.87 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 32.15 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 -4.66 -0.32 -0.60 2.89 1.51 -1.24 -1.20 117.35 113.73 1wf5 s TYR 53 Ca 0.00 0.76 -0.20 0.00 -1.01 0.00 0.00 57.07 56.62 1wf5 s TYR 53 Cb 0.00 0.07 0.09 0.00 -0.11 0.00 0.00 41.96 42.01 1wf5 s TYR 53 CO 0.00 -0.21 0.77 0.42 -1.11 0.00 0.00 175.55 175.43 1wf5 s ILE 54 N 0.94 4.68 -0.29 2.71 1.01 -1.18 -3.94 121.20 125.13 1wf5 s ILE 54 Ca -0.07 -0.78 -0.20 0.00 0.00 0.00 0.00 60.65 59.61 1wf5 s ILE 54 Cb -0.08 -4.53 -0.01 0.00 0.01 0.00 0.00 42.46 37.85 1wf5 s ILE 54 CO -0.06 -1.20 0.61 -0.22 0.00 0.00 0.00 174.94 174.07 1wf5 s LEU 55 N 3.07 4.13 -0.08 2.97 1.98 -0.95 -3.02 118.68 126.77 1wf5 s LEU 55 Ca 0.15 0.46 0.00 0.00 -2.89 0.00 0.00 54.13 51.85 1wf5 s LEU 55 Cb -0.22 -2.79 -0.03 0.00 0.66 0.00 0.00 46.19 43.82 1wf5 s LEU 55 CO 0.08 -0.43 -0.07 -1.61 -1.89 0.00 0.00 176.35 172.43 1wf5 s GLU 56 N 2.53 2.91 0.04 1.98 2.02 -0.56 -1.57 118.70 126.05 1wf5 s GLU 56 Ca 0.24 -0.56 0.07 0.00 0.02 0.00 0.00 54.97 54.75 1wf5 s GLU 56 Cb -0.15 -2.63 -0.03 0.00 0.10 0.00 0.00 34.13 31.41 1wf5 s GLU 56 CO 0.11 0.58 -0.17 1.41 0.02 0.00 0.00 175.26 177.20 1wf5 s MET 57 N -0.57 2.09 -0.18 1.61 -2.45 -0.92 -1.59 119.30 117.29 1wf5 s MET 57 Ca 0.09 -0.98 0.01 0.00 -1.25 0.00 0.00 55.69 53.56 1wf5 s MET 57 Cb -0.12 -2.20 0.03 0.00 1.25 0.00 0.00 34.83 33.79 1wf5 s MET 57 CO 0.02 0.54 -0.16 0.45 1.05 0.00 0.00 175.02 176.92 1wf5 s SER 58 N -1.47 3.11 -0.71 1.11 0.15 -0.76 -2.17 113.70 112.95 1wf5 s SER 58 Ca 0.15 -0.68 -0.13 0.00 0.70 0.00 0.00 55.95 55.99 1wf5 s SER 58 Cb -0.11 -1.35 0.18 0.00 -1.71 0.00 0.00 66.02 63.04 1wf5 s SER 58 CO 0.06 -0.05 0.64 -0.70 1.20 0.00 0.00 173.24 174.39 1wf5 s GLU 59 N 1.36 3.28 0.06 5.44 2.12 -1.26 -1.16 118.70 128.54 1wf5 s GLU 59 Ca 0.03 -2.23 0.00 0.00 0.36 0.00 0.00 54.97 53.13 1wf5 s GLU 59 Cb -0.14 -4.30 0.00 0.00 0.26 0.00 0.00 34.13 29.95 1wf5 s GLU 59 CO -0.11 -1.28 0.00 0.09 -0.54 0.00 0.00 175.26 173.42 1wf5 n ASN 60 N 4.32 -7.42 -3.01 -1.70 3.02 -1.21 -3.61 115.26 105.66 1wf5 n ASN 60 Ca 0.05 1.59 -0.15 0.00 -0.03 0.00 0.00 54.58 56.04 1wf5 n ASN 60 Cb 0.44 -4.42 -0.04 0.00 -0.61 0.00 0.00 39.78 35.15 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 1.89 -0.11 -4.78 6.41 3.02 -1.26 -4.82 115.26 115.60 1wf5 n ASN 61 Ca 0.00 -0.51 -0.31 0.00 -0.03 0.00 0.00 54.58 53.73 1wf5 n ASN 61 Cb 0.00 -0.64 -0.06 0.00 -0.61 0.00 0.00 39.78 38.47 1wf5 n ASN 61 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wf5 s ALA 62 N -2.83 3.59 0.21 5.41 0.00 -1.24 -5.09 121.76 121.82 1wf5 s ALA 62 Ca 0.15 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 1wf5 s ALA 62 Cb -0.09 -1.49 -0.08 0.00 0.00 0.00 0.00 23.12 21.46 1wf5 s ALA 62 CO 0.41 0.74 1.11 -1.25 0.00 0.00 0.00 175.76 176.76 1wf5 s PRO 63 N -2.22 4.60 -0.56 0.00 0.04 -1.26 -4.53 135.00 131.08 1wf5 s PRO 63 Ca 0.28 1.76 -0.38 0.00 0.04 0.00 0.00 61.00 62.69 1wf5 s PRO 63 Cb -0.12 -3.25 -0.17 0.00 0.04 0.00 0.00 34.50 31.00 1wf5 s PRO 63 CO 0.20 0.10 2.28 0.91 0.04 0.00 0.00 177.00 180.53 1wf5 n TRP 64 N 2.05 1.17 -3.68 0.56 5.03 -1.26 -4.74 117.44 116.56 1wf5 n TRP 64 Ca 0.02 0.53 -0.38 0.00 3.03 0.00 0.00 57.50 60.70 1wf5 n TRP 64 Cb 0.46 -2.39 -0.12 0.00 -1.03 0.00 0.00 31.31 28.23 1wf5 n TRP 64 CO 0.00 0.00 0.00 -0.08 -0.03 0.00 0.00 177.69 177.58 1wf5 s THR 65 N 7.23 4.64 -0.57 -0.99 -1.32 -0.92 -4.88 115.64 118.82 1wf5 s THR 65 Ca 1.19 -0.19 -0.27 0.00 -1.21 0.00 0.00 61.69 61.21 1wf5 s THR 65 Cb -1.22 -3.25 -0.09 0.00 -1.51 0.00 0.00 72.50 66.42 1wf5 s THR 65 CO 0.56 0.22 2.46 0.52 -2.21 0.00 0.00 174.62 176.17 1wf5 n VAL 66 N 4.98 -0.08 -0.06 5.08 0.31 -1.26 -2.16 118.33 125.14 1wf5 n VAL 66 Ca -0.15 -0.68 -0.03 0.00 -0.01 0.00 0.00 64.34 63.47 1wf5 n VAL 66 Cb 0.51 -2.46 -0.02 0.00 -0.91 0.00 0.00 33.84 30.96 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 18.59 0.00 -8.15 7.52 3.38 -1.65 -3.44 115.31 131.55 1wf5 h LEU 67 Ca -0.21 -0.06 -0.69 0.00 0.09 0.00 0.00 57.88 57.00 1wf5 h LEU 67 Cb 1.27 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.73 1wf5 h LEU 67 CO 1.19 0.64 -0.62 -0.76 0.09 0.00 0.00 178.44 178.99 1wf5 s LEU 68 N -8.40 4.29 -0.11 1.67 1.43 -1.05 -4.95 118.68 111.56 1wf5 s LEU 68 Ca -0.07 -1.21 -0.19 0.00 -1.03 0.00 0.00 54.13 51.64 1wf5 s LEU 68 Cb 0.01 -1.84 -0.27 0.00 0.03 0.00 0.00 46.19 44.12 1wf5 s LEU 68 CO 0.13 -0.33 0.59 0.00 0.23 0.00 0.00 176.35 176.98 1wf5 h ALA 69 N 8.18 0.13 -2.13 4.21 0.00 -1.86 -2.53 119.26 125.25 1wf5 h ALA 69 Ca -0.22 -0.98 -0.75 0.00 0.00 0.00 0.00 54.91 52.95 1wf5 h ALA 69 Cb 1.08 0.40 -0.23 0.00 0.00 0.00 0.00 17.79 19.03 1wf5 h ALA 69 CO 0.60 0.67 -0.12 0.45 0.00 0.00 0.00 179.25 180.84 1wf5 s SER 70 N -6.93 6.25 0.14 0.00 0.15 -1.26 -4.52 113.70 107.53 1wf5 s SER 70 Ca -0.20 -1.83 0.10 0.00 0.70 0.00 0.00 55.95 54.73 1wf5 s SER 70 Cb 0.03 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 62.08 1wf5 s SER 70 CO 0.75 -0.87 -0.22 -0.69 1.20 0.00 0.00 173.24 173.41 1wf5 s VAL 71 N 1.64 2.57 0.15 4.45 1.01 -1.25 -4.98 120.40 123.99 1wf5 s VAL 71 Ca 0.06 -1.72 -0.31 0.00 0.00 0.00 0.00 61.98 60.02 1wf5 s VAL 71 Cb -0.27 -2.19 -0.08 0.00 0.00 0.00 0.00 36.38 33.84 1wf5 s VAL 71 CO 0.02 0.03 1.34 -1.81 0.00 0.00 0.00 175.10 174.68 1wf5 s ASP 72 N -2.29 6.87 0.46 3.32 1.11 -1.26 -3.66 116.67 121.22 1wf5 s ASP 72 Ca 0.18 2.34 0.26 0.00 0.18 0.00 0.00 52.55 55.50 1wf5 s ASP 72 Cb -0.10 -2.60 0.77 0.00 1.07 0.00 0.00 42.92 42.07 1wf5 s ASP 72 CO 0.09 -0.59 1.76 1.55 1.18 0.00 0.00 175.17 179.17 1wf5 h PRO 73 N 6.19 0.00 -0.37 8.23 0.13 -1.84 -2.55 132.00 141.79 1wf5 h PRO 73 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1wf5 h PRO 73 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1wf5 h PRO 73 CO 0.82 0.10 0.00 1.63 -0.23 0.00 0.00 178.00 180.32 1wf5 n LYS 74 N -3.17 2.26 -3.68 0.86 5.02 -1.26 -4.87 118.16 113.33 1wf5 n LYS 74 Ca 0.02 -1.92 -0.37 0.00 -2.02 0.00 0.00 58.31 54.02 1wf5 n LYS 74 Cb 0.46 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 33.93 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 -1.52 3.73 -0.48 7.82 0.00 -0.96 -4.96 121.76 125.39 1wf5 s ALA 75 Ca 0.37 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.88 1wf5 s ALA 75 Cb 0.21 -2.21 0.02 0.00 0.00 0.00 0.00 23.12 21.14 1wf5 s ALA 75 CO 0.29 0.38 0.53 0.25 0.00 0.00 0.00 175.76 177.21 1wf5 n THR 76 N 2.58 0.00 -4.02 0.00 -2.24 -1.26 -4.90 114.28 104.43 1wf5 n THR 76 Ca -0.16 -0.48 -0.09 0.00 -2.27 0.00 0.00 64.05 61.06 1wf5 n THR 76 Cb 0.53 1.07 -0.11 0.00 -2.10 0.00 0.00 70.33 69.73 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 -0.63 0.37 0.08 3.42 1.04 -1.26 0.18 113.70 116.90 1wf5 s SER 77 Ca 0.04 -0.66 -0.13 0.00 0.48 0.00 0.00 55.95 55.68 1wf5 s SER 77 Cb 0.04 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.30 1wf5 s SER 77 CO 0.08 -0.39 0.31 0.54 0.98 0.00 0.00 173.24 174.76 1wf5 s VAL 78 N -2.24 0.09 -0.06 5.02 0.11 0.81 -4.96 120.40 119.17 1wf5 s VAL 78 Ca -0.08 -0.76 0.06 0.00 -2.93 0.00 0.00 61.98 58.27 1wf5 s VAL 78 Cb -0.04 -1.09 -0.01 0.00 -1.53 0.00 0.00 36.38 33.70 1wf5 s VAL 78 CO -0.04 -0.42 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.19 1wf5 s THR 79 N -3.18 2.23 -0.43 5.04 2.01 -1.26 -0.25 115.64 119.81 1wf5 s THR 79 Ca -0.01 -1.00 -0.08 0.00 0.31 0.00 0.00 61.69 60.91 1wf5 s THR 79 Cb 0.01 -1.82 0.10 0.00 0.01 0.00 0.00 72.50 70.79 1wf5 s THR 79 CO -0.07 0.57 0.26 -0.69 -0.69 0.00 0.00 174.62 174.00 1wf5 s VAL 80 N -0.22 3.97 0.21 3.82 1.01 -0.43 -4.92 120.40 123.84 1wf5 s VAL 80 Ca -0.02 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.33 1wf5 s VAL 80 Cb -0.13 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1wf5 s VAL 80 CO 0.03 -0.60 0.38 -0.54 0.00 0.00 0.00 175.10 174.38 1wf5 s LYS 81 N 1.34 3.50 -0.13 2.72 1.02 -1.26 -1.91 119.74 125.03 1wf5 s LYS 81 Ca 0.04 -0.41 -0.02 0.00 0.02 0.00 0.00 55.97 55.61 1wf5 s LYS 81 Cb -0.24 -2.85 0.00 0.00 -0.52 0.00 0.00 37.83 34.23 1wf5 s LYS 81 CO -0.00 0.40 0.14 0.41 -0.92 0.00 0.00 175.35 175.38 1wf5 n GLY 82 N -0.77 -0.65 3.40 -3.33 0.00 -0.90 -5.00 105.19 97.94 1wf5 n GLY 82 Ca -0.05 0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.93 2.34 -0.04 0.99 1.43 -1.22 -5.08 118.68 115.18 1wf5 s LEU 83 Ca 0.02 -1.23 -0.15 0.00 -1.03 0.00 0.00 54.13 51.74 1wf5 s LEU 83 Cb -0.01 -0.48 -0.05 0.00 0.03 0.00 0.00 46.19 45.68 1wf5 s LEU 83 CO 0.16 -0.45 0.39 -0.69 0.23 0.00 0.00 176.35 176.00 1wf5 s VAL 84 N -3.19 5.11 0.44 -1.59 1.01 -1.26 -4.90 120.40 116.02 1wf5 s VAL 84 Ca 0.30 0.79 -0.22 0.00 0.00 0.00 0.00 61.98 62.86 1wf5 s VAL 84 Cb 0.05 -3.70 -0.09 0.00 0.00 0.00 0.00 36.38 32.64 1wf5 s VAL 84 CO 0.12 0.52 1.05 -2.16 0.00 0.00 0.00 175.10 174.62 1wf5 s PRO 85 N -0.60 3.98 -1.18 2.72 0.04 -1.26 -3.76 135.00 134.93 1wf5 s PRO 85 Ca 0.23 1.44 -0.02 0.00 0.04 0.00 0.00 61.00 62.69 1wf5 s PRO 85 Cb -0.16 -2.31 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 1wf5 s PRO 85 CO 0.11 -0.29 0.95 0.00 0.04 0.00 0.00 177.00 177.81 1wf5 n ALA 86 N -0.53 -2.12 -3.34 8.56 0.00 0.35 -4.61 120.51 118.82 1wf5 n ALA 86 Ca 0.07 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 1wf5 n ALA 86 Cb 0.51 -3.09 -0.09 0.00 0.00 0.00 0.00 19.45 16.78 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 -5.24 0.66 0.35 0.00 0.52 -1.05 -4.91 118.95 109.30 1wf5 s ARG 87 Ca 0.10 0.30 -0.24 0.00 -0.52 0.00 0.00 55.73 55.36 1wf5 s ARG 87 Cb -0.02 0.31 -0.10 0.00 0.52 0.00 0.00 34.95 35.66 1wf5 s ARG 87 CO 0.74 -0.15 0.94 -1.54 0.02 0.00 0.00 175.30 175.32 1wf5 s SER 88 N -0.51 7.21 -0.09 0.23 1.04 -1.26 -0.04 113.70 120.27 1wf5 s SER 88 Ca -0.06 1.79 -0.04 0.00 0.48 0.00 0.00 55.95 58.11 1wf5 s SER 88 Cb -0.03 -2.57 0.05 0.00 0.10 0.00 0.00 66.02 63.57 1wf5 s SER 88 CO 0.03 -0.16 0.20 -0.31 0.98 0.00 0.00 173.24 173.99 1wf5 s TYR 89 N -1.79 -0.27 0.19 5.02 2.02 0.39 -3.33 117.35 119.58 1wf5 s TYR 89 Ca 0.54 0.71 0.07 0.00 -0.37 0.00 0.00 57.07 58.01 1wf5 s TYR 89 Cb -0.16 -0.08 -0.04 0.00 -0.40 0.00 0.00 41.96 41.29 1wf5 s TYR 89 CO 0.20 -0.25 0.09 -0.65 -1.57 0.00 0.00 175.55 173.37 1wf5 s GLN 90 N 1.74 2.69 -0.05 -0.62 -0.21 -0.31 -2.84 119.66 120.06 1wf5 s GLN 90 Ca -0.04 -1.03 -0.03 0.00 0.02 0.00 0.00 55.36 54.28 1wf5 s GLN 90 Cb -0.11 -2.49 0.02 0.00 1.00 0.00 0.00 33.01 31.43 1wf5 s GLN 90 CO -0.07 0.45 0.11 -0.06 -2.12 0.00 0.00 175.29 173.60 1wf5 s PHE 91 N -1.87 -0.12 -0.29 0.91 0.08 -1.26 -1.84 117.98 113.60 1wf5 s PHE 91 Ca 0.30 0.34 -0.07 0.00 0.12 0.00 0.00 56.93 57.62 1wf5 s PHE 91 Cb -0.09 -0.04 0.14 0.00 -0.57 0.00 0.00 43.02 42.47 1wf5 s PHE 91 CO 0.22 -0.10 0.60 -0.98 -0.10 0.00 0.00 175.22 174.86 1wf5 s ARG 92 N 0.60 0.54 0.28 0.44 1.70 -0.62 -3.25 118.95 118.63 1wf5 s ARG 92 Ca -0.04 1.25 0.11 0.00 -0.47 0.00 0.00 55.73 56.57 1wf5 s ARG 92 Cb -0.06 0.67 -0.05 0.00 -0.57 0.00 0.00 34.95 34.94 1wf5 s ARG 92 CO -0.03 -0.34 -0.12 -0.48 -1.08 0.00 0.00 175.30 173.25 1wf5 s LEU 93 N 2.84 2.83 0.28 -1.89 2.34 -1.26 -1.50 118.68 122.32 1wf5 s LEU 93 Ca 0.03 -0.89 0.06 0.00 0.06 0.00 0.00 54.13 53.39 1wf5 s LEU 93 Cb -0.13 -1.34 -0.06 0.00 -0.56 0.00 0.00 46.19 44.10 1wf5 s LEU 93 CO -0.19 0.02 -0.04 0.00 -1.06 0.00 0.00 176.35 175.08 1wf5 s ALA 95 N -3.07 3.48 -0.09 0.00 0.00 -1.21 -3.13 121.76 117.75 1wf5 s ALA 95 Ca 0.30 -0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.07 1wf5 s ALA 95 Cb 0.04 -2.77 0.01 0.00 0.00 0.00 0.00 23.12 20.41 1wf5 s ALA 95 CO 0.12 -0.19 -0.13 0.08 0.00 0.00 0.00 175.76 175.63 1wf5 s VAL 96 N 1.06 1.30 0.21 0.00 1.01 -0.34 -0.57 120.40 123.07 1wf5 s VAL 96 Ca 0.27 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1wf5 s VAL 96 Cb -0.16 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 1wf5 s VAL 96 CO 0.11 0.40 0.11 -0.46 0.00 0.00 0.00 175.10 175.26 1wf5 n ASN 97 N 4.04 0.53 -0.01 3.32 0.23 0.37 -0.35 115.26 123.39 1wf5 n ASN 97 Ca -0.20 -2.20 -0.13 0.00 -0.53 0.00 0.00 54.58 51.52 1wf5 n ASN 97 Cb 0.51 0.70 -0.07 0.00 -2.08 0.00 0.00 39.78 38.85 1wf5 n ASN 97 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 1wf5 h ASP 98 N 0.99 -1.40 -0.85 0.53 3.58 -1.93 -0.37 116.42 116.97 1wf5 h ASP 98 Ca -0.16 0.18 0.16 0.00 0.42 0.00 0.00 57.03 57.64 1wf5 h ASP 98 Cb 0.67 0.57 -0.16 0.00 1.72 0.00 0.00 39.33 42.12 1wf5 h ASP 98 CO 0.24 -0.44 -0.24 -0.37 -2.88 0.00 0.00 179.24 175.55 1wf5 h VAL 99 N -0.51 0.13 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 0.64 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 29.93 1wf5 h VAL 99 CO -0.41 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.54 1wf5 n GLY 100 N -1.53 -0.55 3.41 5.19 0.00 -0.15 -5.05 105.19 106.50 1wf5 n GLY 100 Ca 0.12 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.77 1.92 0.00 1.61 2.20 -1.26 0.14 119.74 122.58 1wf5 s LYS 101 Ca 0.00 -1.06 0.00 0.00 -0.36 0.00 0.00 55.97 54.55 1wf5 s LYS 101 Cb 0.00 -2.08 0.00 0.00 -1.51 0.00 0.00 37.83 34.24 1wf5 s LYS 101 CO 0.00 0.52 0.00 0.41 -0.36 0.00 0.00 175.35 175.92 1wf5 n GLY 102 N 1.61 0.62 3.42 5.54 0.00 0.27 -4.81 105.19 111.84 1wf5 n GLY 102 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 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 1.69 1.59 0.41 1.61 0.00 -1.26 -4.93 119.66 118.77 1wf5 s GLN 103 Ca 0.00 -1.87 0.06 0.00 -0.00 0.00 0.00 55.36 53.55 1wf5 s GLN 103 Cb 0.00 -0.78 0.01 0.00 0.00 0.00 0.00 33.01 32.23 1wf5 s GLN 103 CO 0.00 -0.18 0.58 -0.06 0.00 0.00 0.00 175.29 175.63 1wf5 s PHE 104 N -3.35 2.96 0.27 9.60 0.40 -1.26 -3.30 117.98 123.29 1wf5 s PHE 104 Ca 0.36 -0.22 -0.04 0.00 -0.60 0.00 0.00 56.93 56.42 1wf5 s PHE 104 Cb 0.08 -2.30 -0.05 0.00 0.51 0.00 0.00 43.02 41.26 1wf5 s PHE 104 CO 0.14 -0.34 0.52 -1.54 0.70 0.00 0.00 175.22 174.71 1wf5 s SER 105 N -4.29 6.44 0.95 1.36 1.04 -0.72 -4.73 113.70 113.76 1wf5 s SER 105 Ca 0.51 0.67 -0.13 0.00 0.48 0.00 0.00 55.95 57.49 1wf5 s SER 105 Cb -0.10 -2.12 0.04 0.00 0.10 0.00 0.00 66.02 63.94 1wf5 s SER 105 CO 0.34 -0.16 0.43 0.29 0.98 0.00 0.00 173.24 175.12 1wf5 n LYS 106 N -0.83 -0.32 -2.17 4.02 4.76 -1.26 -4.64 118.16 117.72 1wf5 n LYS 106 Ca -0.02 -0.05 -0.43 0.00 -2.87 0.00 0.00 58.31 54.94 1wf5 n LYS 106 Cb 0.54 -1.87 -0.02 0.00 -1.84 0.00 0.00 35.03 31.83 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 -2.04 6.22 0.66 4.39 1.47 -1.26 -4.76 116.67 121.35 1wf5 s ASP 107 Ca 0.57 1.24 -0.17 0.00 1.18 0.00 0.00 52.55 55.37 1wf5 s ASP 107 Cb -0.21 -2.53 -0.06 0.00 -0.34 0.00 0.00 42.92 39.78 1wf5 s ASP 107 CO 0.67 -1.45 0.57 0.35 0.68 0.00 0.00 175.17 175.98 1wf5 n THR 108 N 6.96 2.15 -1.72 2.11 -2.24 -1.20 -4.69 114.28 115.64 1wf5 n THR 108 Ca 0.19 -0.44 -0.65 0.00 -2.27 0.00 0.00 64.05 60.88 1wf5 n THR 108 Cb 0.47 -0.76 -0.09 0.00 -2.10 0.00 0.00 70.33 67.85 1wf5 n THR 108 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wf5 n GLU 109 N -0.52 0.26 -1.11 -0.78 1.02 -1.26 -4.45 120.64 113.80 1wf5 n GLU 109 Ca 0.11 0.10 -0.27 0.00 -0.02 0.00 0.00 57.16 57.08 1wf5 n GLU 109 Cb 0.49 -1.64 -0.13 0.00 -0.02 0.00 0.00 31.44 30.14 1wf5 n GLU 109 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1wf5 n ARG 110 N 4.09 0.00 -3.05 3.49 0.63 -1.26 -4.79 116.66 115.76 1wf5 n ARG 110 Ca 0.29 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.80 1wf5 n ARG 110 Cb -0.01 -1.01 -0.06 0.00 0.45 0.00 0.00 32.46 31.84 1wf5 n ARG 110 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1wf5 s VAL 111 N 4.84 4.86 -0.04 5.15 1.01 -1.13 -4.91 120.40 130.16 1wf5 s VAL 111 Ca 1.00 0.89 0.02 0.00 0.00 0.00 0.00 61.98 63.89 1wf5 s VAL 111 Cb -0.85 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 31.41 1wf5 s VAL 111 CO 0.38 -0.25 -0.07 -0.94 0.00 0.00 0.00 175.10 174.22 1wf5 s SER 112 N 1.70 4.62 0.16 3.32 1.04 -1.26 0.15 113.70 123.42 1wf5 s SER 112 Ca 0.28 -0.07 -0.12 0.00 0.48 0.00 0.00 55.95 56.52 1wf5 s SER 112 Cb -0.14 -1.13 -0.07 0.00 0.10 0.00 0.00 66.02 64.78 1wf5 s SER 112 CO 0.13 0.34 0.52 -0.22 0.98 0.00 0.00 173.24 174.99 1wf5 s LEU 113 N -1.01 4.28 0.30 2.42 2.96 0.94 -4.90 118.68 123.68 1wf5 s LEU 113 Ca 0.14 0.96 -0.28 0.00 -0.22 0.00 0.00 54.13 54.73 1wf5 s LEU 113 Cb -0.11 -3.36 -0.09 0.00 0.50 0.00 0.00 46.19 43.13 1wf5 s LEU 113 CO 0.03 0.05 1.08 -2.16 -1.32 0.00 0.00 176.35 174.04 1wf5 s PRO 114 N -2.26 4.56 0.56 0.98 0.04 -1.26 0.13 135.00 137.76 1wf5 s PRO 114 Ca 0.40 1.72 0.31 0.00 0.04 0.00 0.00 61.00 63.48 1wf5 s PRO 114 Cb -0.13 -3.07 1.46 0.00 0.04 0.00 0.00 34.50 32.80 1wf5 s PRO 114 CO 0.20 0.16 1.84 1.49 0.04 0.00 0.00 177.00 180.73 1wf5 h GLU 115 N 3.58 0.00 -3.72 4.56 4.22 -1.91 -2.70 114.58 118.60 1wf5 h GLU 115 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.97 1wf5 h GLU 115 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1wf5 h GLU 115 CO 0.66 0.00 -0.90 0.43 -2.18 0.00 0.00 179.01 177.02 1wf5 n SER 116 N -3.96 -8.68 -3.66 1.04 7.64 -1.26 -4.59 113.62 100.14 1wf5 n SER 116 Ca 0.16 1.24 -0.10 0.00 1.01 0.00 0.00 58.87 61.18 1wf5 n SER 116 Cb 0.94 -4.73 -0.05 0.00 -1.01 0.00 0.00 64.21 59.36 1wf5 n SER 116 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wf5 s GLY 117 N -3.00 -0.21 0.08 0.23 0.00 -1.26 -5.06 107.32 98.09 1wf5 s GLY 117 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 44.72 44.30 1wf5 s GLY 117 CO 0.00 -0.34 1.16 2.56 0.00 0.00 0.00 173.10 176.48 1wf5 s PRO 118 N -3.82 4.48 -0.08 2.90 0.04 -1.26 -5.03 135.00 132.23 1wf5 s PRO 118 Ca 0.04 1.72 -0.03 0.00 0.04 0.00 0.00 61.00 62.77 1wf5 s PRO 118 Cb 0.02 -3.34 0.04 0.00 0.04 0.00 0.00 34.50 31.26 1wf5 s PRO 118 CO -0.10 -0.17 0.17 0.45 0.04 0.00 0.00 177.00 177.39 1wf5 s SER 119 N 0.82 0.17 -0.90 6.66 0.15 -1.26 -5.09 113.70 114.26 1wf5 s SER 119 Ca 0.56 0.36 -0.24 0.00 0.70 0.00 0.00 55.95 57.33 1wf5 s SER 119 Cb -0.29 0.28 -0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1wf5 s SER 119 CO 0.30 -0.19 1.68 -0.55 1.20 0.00 0.00 173.24 175.69 1wf5 s SER 120 N 1.63 5.76 0.00 5.45 0.15 -1.26 -5.34 113.70 120.09 1wf5 s SER 120 Ca -0.05 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.78 1wf5 s SER 120 Cb -0.12 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1wf5 s SER 120 CO -0.06 -2.15 0.00 0.61 1.20 0.00 0.00 173.24 172.83