#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 -3.82 1.61 2.88 -1.26 -5.17 113.62 107.86 1wf5 n SER 2 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1wf5 n SER 2 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 1wf5 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wf5 s SER 3 N 0.00 0.03 0.59 -3.46 0.01 -1.26 -5.16 113.70 104.45 1wf5 s SER 3 Ca 0.00 0.02 0.09 0.00 1.31 0.00 0.00 55.95 57.37 1wf5 s SER 3 Cb 0.00 -0.03 0.09 0.00 0.21 0.00 0.00 66.02 66.29 1wf5 s SER 3 CO 0.00 -0.06 0.77 -0.83 0.41 0.00 0.00 173.24 173.53 1wf5 s GLY 4 N 0.50 1.78 -0.02 3.44 0.00 -1.26 -5.13 107.32 106.63 1wf5 s GLY 4 Ca -0.04 -2.08 0.02 0.00 0.00 0.00 0.00 44.72 42.62 1wf5 s GLY 4 CO -0.01 -1.74 -0.08 -0.45 0.00 0.00 0.00 173.10 170.82 1wf5 s SER 5 N -4.66 1.06 -0.09 1.64 0.15 -1.26 -5.13 113.70 105.42 1wf5 s SER 5 Ca 0.59 -0.16 -0.03 0.00 0.70 0.00 0.00 55.95 57.04 1wf5 s SER 5 Cb -0.05 -0.30 0.05 0.00 -1.71 0.00 0.00 66.02 64.01 1wf5 s SER 5 CO 0.37 0.05 0.17 -0.55 1.20 0.00 0.00 173.24 174.48 1wf5 s SER 6 N 0.25 0.69 0.42 5.45 0.15 -1.26 -5.15 113.70 114.25 1wf5 s SER 6 Ca -0.04 0.35 0.05 0.00 0.70 0.00 0.00 55.95 57.01 1wf5 s SER 6 Cb -0.08 0.31 -0.05 0.00 -1.71 0.00 0.00 66.02 64.48 1wf5 s SER 6 CO 0.00 -0.24 0.03 -0.83 1.20 0.00 0.00 173.24 173.40 1wf5 s GLY 7 N 2.26 2.57 0.35 9.45 0.00 -1.26 -5.16 107.32 115.53 1wf5 s GLY 7 Ca 0.02 -1.67 0.09 0.00 0.00 0.00 0.00 44.72 43.17 1wf5 s GLY 7 CO -0.06 -2.05 -0.07 -1.60 0.00 0.00 0.00 173.10 169.32 1wf5 s ARG 8 N -3.79 1.83 -0.06 2.90 3.52 -1.26 -5.12 118.95 116.97 1wf5 s ARG 8 Ca 0.27 -1.96 -0.20 0.00 -0.13 0.00 0.00 55.73 53.70 1wf5 s ARG 8 Cb 0.07 -1.66 -0.04 0.00 -1.56 0.00 0.00 34.95 31.76 1wf5 s ARG 8 CO 0.13 0.10 0.57 -1.12 -0.81 0.00 0.00 175.30 174.17 1wf5 s SER 9 N -3.62 6.87 0.10 -2.12 0.01 -1.26 -5.06 113.70 108.62 1wf5 s SER 9 Ca 0.33 1.03 -0.13 0.00 1.31 0.00 0.00 55.95 58.50 1wf5 s SER 9 Cb 0.04 -2.34 0.02 0.00 0.21 0.00 0.00 66.02 63.94 1wf5 s SER 9 CO 0.17 0.01 0.30 0.00 0.41 0.00 0.00 173.24 174.13 1wf5 s ALA 10 N 0.35 -0.60 -0.11 1.44 0.00 -1.26 -5.08 121.76 116.49 1wf5 s ALA 10 Ca 0.31 -0.26 -0.04 0.00 0.00 0.00 0.00 51.96 51.96 1wf5 s ALA 10 Cb -0.17 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 1wf5 s ALA 10 CO 0.15 -0.55 0.03 1.25 0.00 0.00 0.00 175.76 176.64 1wf5 h HIS 11 N 2.67 0.00 -3.94 0.00 -0.00 -2.08 -3.46 115.15 108.34 1wf5 h HIS 11 Ca -0.34 0.00 -0.53 0.00 -0.00 0.00 0.00 60.37 59.51 1wf5 h HIS 11 Cb 1.22 0.00 0.09 0.00 -0.00 0.00 0.00 27.41 28.72 1wf5 h HIS 11 CO 0.39 0.10 0.64 -0.51 -0.00 0.00 0.00 177.93 178.54 1wf5 s LEU 12 N -8.46 4.24 0.82 0.26 2.01 -1.26 -4.96 118.68 111.33 1wf5 s LEU 12 Ca -0.04 2.72 -0.13 0.00 0.01 0.00 0.00 54.13 56.68 1wf5 s LEU 12 Cb 0.00 -3.86 0.07 0.00 0.01 0.00 0.00 46.19 42.42 1wf5 s LEU 12 CO 0.09 -0.85 1.05 0.54 1.01 0.00 0.00 176.35 178.19 1wf5 n ARG 13 N 0.20 0.11 -4.20 1.70 3.00 -1.26 -5.00 116.66 111.21 1wf5 n ARG 13 Ca 0.03 0.11 -0.35 0.00 -0.01 0.00 0.00 57.85 57.63 1wf5 n ARG 13 Cb 0.43 -2.31 -0.09 0.00 0.00 0.00 0.00 32.46 30.48 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 -2.16 4.56 -0.81 1.55 0.11 -1.26 -5.05 120.40 117.34 1wf5 s VAL 14 Ca 0.71 -0.14 -0.19 0.00 -2.93 0.00 0.00 61.98 59.43 1wf5 s VAL 14 Cb -0.29 -2.98 0.13 0.00 -1.53 0.00 0.00 36.38 31.71 1wf5 s VAL 14 CO 0.54 0.55 0.98 -0.13 -3.33 0.00 0.00 175.10 173.71 1wf5 s ARG 15 N -0.37 3.42 0.46 1.54 0.52 -1.26 -4.55 118.95 118.71 1wf5 s ARG 15 Ca 0.08 -1.60 0.00 0.00 -0.52 0.00 0.00 55.73 53.69 1wf5 s ARG 15 Cb -0.12 -4.63 -0.00 0.00 0.52 0.00 0.00 34.95 30.72 1wf5 s ARG 15 CO 0.02 -1.69 0.68 -0.65 0.02 0.00 0.00 175.30 173.69 1wf5 s GLN 16 N 2.64 3.04 0.08 3.54 1.11 -1.26 -5.00 119.66 123.81 1wf5 s GLN 16 Ca 0.25 -0.48 -0.14 0.00 0.01 0.00 0.00 55.36 55.01 1wf5 s GLN 16 Cb -0.11 -2.55 -0.06 0.00 -1.01 0.00 0.00 33.01 29.28 1wf5 s GLN 16 CO -0.03 -0.30 0.47 -0.51 0.01 0.00 0.00 175.29 174.92 1wf5 s LEU 17 N -4.58 4.40 0.01 2.90 1.43 -1.26 -4.11 118.68 117.48 1wf5 s LEU 17 Ca 0.49 0.98 -0.30 0.00 -1.03 0.00 0.00 54.13 54.27 1wf5 s LEU 17 Cb -0.10 -2.95 -0.05 0.00 0.03 0.00 0.00 46.19 43.12 1wf5 s LEU 17 CO 0.38 0.20 1.19 -2.16 0.23 0.00 0.00 176.35 176.20 1wf5 s PRO 18 N -1.60 4.41 0.94 1.29 0.04 -1.26 -3.96 135.00 134.86 1wf5 s PRO 18 Ca 0.31 1.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 1wf5 s PRO 18 Cb -0.16 -3.44 0.16 0.00 0.04 0.00 0.00 34.50 31.10 1wf5 s PRO 18 CO 0.17 -0.32 1.09 -1.01 0.04 0.00 0.00 177.00 176.98 1wf5 s HIS 19 N 1.51 1.98 0.98 0.56 3.76 -1.21 -3.70 115.29 119.17 1wf5 s HIS 19 Ca 0.57 1.40 -0.12 0.00 -0.15 0.00 0.00 55.06 56.77 1wf5 s HIS 19 Cb -0.27 -3.18 0.18 0.00 1.11 0.00 0.00 32.58 30.42 1wf5 s HIS 19 CO 0.26 -2.73 1.09 0.00 -0.85 0.00 0.00 174.74 172.51 1wf5 s ALA 20 N -2.77 0.91 0.49 -1.40 0.00 -1.25 -4.39 121.76 113.36 1wf5 s ALA 20 Ca 0.65 0.08 -0.20 0.00 0.00 0.00 0.00 51.96 52.49 1wf5 s ALA 20 Cb -0.20 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.56 1wf5 s ALA 20 CO 0.59 -2.91 1.04 -1.25 0.00 0.00 0.00 175.76 173.22 1wf5 s PRO 21 N -4.72 3.80 0.55 0.00 0.04 -1.26 -4.60 135.00 128.81 1wf5 s PRO 21 Ca 0.66 1.36 0.09 0.00 0.04 0.00 0.00 61.00 63.14 1wf5 s PRO 21 Cb -0.21 -2.09 0.07 0.00 0.04 0.00 0.00 34.50 32.30 1wf5 s PRO 21 CO 0.59 -0.43 0.68 -1.21 0.04 0.00 0.00 177.00 176.67 1wf5 s GLU 22 N -3.24 2.33 -1.17 4.56 0.41 -1.18 -4.61 118.70 115.80 1wf5 s GLU 22 Ca 0.67 -1.70 -0.16 0.00 -0.41 0.00 0.00 54.97 53.37 1wf5 s GLU 22 Cb -0.16 -2.52 0.02 0.00 -1.78 0.00 0.00 34.13 29.69 1wf5 s GLU 22 CO 0.20 -0.75 0.30 1.58 -0.49 0.00 0.00 175.26 176.10 1wf5 n HIS 23 N -2.09 -1.11 -2.30 1.61 -0.00 -1.26 0.47 115.22 110.53 1wf5 n HIS 23 Ca 0.11 0.27 -0.36 0.00 0.46 0.00 0.00 57.72 58.20 1wf5 n HIS 23 Cb 0.62 -2.35 -0.03 0.00 -0.12 0.00 0.00 29.99 28.11 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 -4.27 2.40 -3.80 1.57 -0.04 -1.26 -3.83 135.00 125.78 1wf5 n PRO 24 Ca -0.18 -2.86 -0.33 0.00 -0.04 0.00 0.00 63.50 60.09 1wf5 n PRO 24 Cb 0.53 -3.60 -0.05 0.00 -0.04 0.00 0.00 33.50 30.34 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 7.52 5.31 -0.05 0.52 1.01 0.41 -4.41 120.40 130.71 1wf5 s VAL 25 Ca 0.61 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 1wf5 s VAL 25 Cb 0.02 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.84 1wf5 s VAL 25 CO 0.11 0.22 0.10 0.00 0.00 0.00 0.00 175.10 175.53 1wf5 s ALA 26 N -1.44 -0.02 -0.05 5.51 0.00 -1.26 -0.83 121.76 123.66 1wf5 s ALA 26 Ca 0.33 0.43 -0.06 0.00 0.00 0.00 0.00 51.96 52.65 1wf5 s ALA 26 Cb -0.13 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.45 1wf5 s ALA 26 CO 0.21 -0.35 0.17 0.95 0.00 0.00 0.00 175.76 176.74 1wf5 s THR 27 N 1.73 0.01 1.04 0.00 -4.23 0.56 -4.71 115.64 110.05 1wf5 s THR 27 Ca -0.02 -0.11 -0.19 0.00 -1.18 0.00 0.00 61.69 60.19 1wf5 s THR 27 Cb -0.12 -0.28 0.04 0.00 1.34 0.00 0.00 72.50 73.48 1wf5 s THR 27 CO -0.04 -0.06 -0.33 -0.11 -0.54 0.00 0.00 174.62 173.53 1wf5 n LEU 28 N 2.73 -2.28 -0.01 4.79 7.94 -1.26 0.20 117.00 129.12 1wf5 n LEU 28 Ca -0.14 -0.15 0.10 0.00 -1.11 0.00 0.00 56.01 54.70 1wf5 n LEU 28 Cb 0.58 -0.77 -0.15 0.00 0.53 0.00 0.00 43.42 43.61 1wf5 n LEU 28 CO 0.21 -2.91 -0.62 -0.24 -1.11 0.00 0.00 177.39 172.72 1wf5 n SER 29 N -0.04 0.49 -1.89 1.96 2.88 -0.77 -3.76 113.62 112.50 1wf5 n SER 29 Ca 0.01 -0.17 -0.06 0.00 -1.33 0.00 0.00 58.87 57.32 1wf5 n SER 29 Cb 0.57 1.76 -0.01 0.00 -0.75 0.00 0.00 64.21 65.77 1wf5 n SER 29 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1wf5 n THR 30 N -2.07 -0.16 0.13 2.46 -2.24 -1.26 -4.43 114.28 106.71 1wf5 n THR 30 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1wf5 n THR 30 Cb 0.49 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 1wf5 n THR 30 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1wf5 n VAL 31 N -2.24 0.00 -2.83 2.28 0.31 -1.26 -5.09 118.33 109.49 1wf5 n VAL 31 Ca -0.07 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.86 1wf5 n VAL 31 Cb 0.39 -0.47 -0.06 0.00 -0.91 0.00 0.00 33.84 32.80 1wf5 n VAL 31 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1wf5 s GLU 32 N -2.00 4.71 0.15 5.55 0.41 -1.26 -4.98 118.70 121.28 1wf5 s GLU 32 Ca 0.00 1.35 -0.33 0.00 -0.41 0.00 0.00 54.97 55.57 1wf5 s GLU 32 Cb 0.00 -3.31 -0.13 0.00 -1.78 0.00 0.00 34.13 28.91 1wf5 s GLU 32 CO 0.00 0.44 1.66 0.54 -0.49 0.00 0.00 175.26 177.40 1wf5 n ARG 33 N 1.96 2.37 -4.06 1.61 5.12 -1.26 -2.34 116.66 120.06 1wf5 n ARG 33 Ca -0.02 0.86 -0.37 0.00 -1.93 0.00 0.00 57.85 56.38 1wf5 n ARG 33 Cb 0.48 -2.66 -0.02 0.00 -1.16 0.00 0.00 32.46 29.11 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 3.96 -0.50 -4.51 5.56 3.00 -1.26 -4.29 116.66 118.61 1wf5 n ARG 34 Ca 0.17 0.01 -0.21 0.00 -0.01 0.00 0.00 57.85 57.81 1wf5 n ARG 34 Cb 0.31 -2.36 -0.15 0.00 0.00 0.00 0.00 32.46 30.27 1wf5 n ARG 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wf5 s ALA 35 N -3.88 1.07 0.05 7.54 0.00 -0.99 -1.23 121.76 124.32 1wf5 s ALA 35 Ca 0.30 -0.60 0.08 0.00 0.00 0.00 0.00 51.96 51.73 1wf5 s ALA 35 Cb -0.17 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1wf5 s ALA 35 CO 0.86 0.25 -0.21 0.42 0.00 0.00 0.00 175.76 177.08 1wf5 s ILE 36 N -0.43 2.59 -0.33 0.00 1.01 -0.86 -1.84 121.20 121.35 1wf5 s ILE 36 Ca 0.04 -1.27 -0.10 0.00 0.00 0.00 0.00 60.65 59.31 1wf5 s ILE 36 Cb -0.06 -2.08 -0.00 0.00 0.01 0.00 0.00 42.46 40.34 1wf5 s ILE 36 CO -0.00 0.33 0.18 0.20 0.00 0.00 0.00 174.94 175.64 1wf5 s ASN 37 N -1.43 5.66 -0.02 3.58 0.01 0.54 -1.14 114.94 122.14 1wf5 s ASN 37 Ca 0.14 -0.60 -0.03 0.00 -0.71 0.00 0.00 52.86 51.66 1wf5 s ASN 37 Cb -0.10 -2.03 -0.04 0.00 0.41 0.00 0.00 41.25 39.49 1wf5 s ASN 37 CO 0.05 -0.24 0.18 -0.22 -1.51 0.00 0.00 177.10 175.35 1wf5 s LEU 38 N 1.62 4.36 -0.16 0.60 2.96 0.16 -0.32 118.68 127.90 1wf5 s LEU 38 Ca 0.04 0.35 -0.07 0.00 -0.22 0.00 0.00 54.13 54.24 1wf5 s LEU 38 Cb -0.17 -2.57 0.07 0.00 0.50 0.00 0.00 46.19 44.02 1wf5 s LEU 38 CO 0.07 0.27 0.35 0.42 -1.32 0.00 0.00 176.35 176.14 1wf5 s THR 39 N -1.30 -0.35 0.33 3.68 -4.23 -0.01 -1.77 115.64 111.99 1wf5 s THR 39 Ca 0.26 0.18 0.03 0.00 -1.18 0.00 0.00 61.69 60.99 1wf5 s THR 39 Cb -0.13 -0.55 -0.04 0.00 1.34 0.00 0.00 72.50 73.13 1wf5 s THR 39 CO 0.17 0.08 0.13 -1.66 -0.54 0.00 0.00 174.62 172.80 1wf5 s TRP 40 N 2.09 1.69 0.17 3.99 -2.14 0.19 -0.44 118.94 124.48 1wf5 s TRP 40 Ca -0.04 -1.27 0.04 0.00 2.66 0.00 0.00 56.10 57.49 1wf5 s TRP 40 Cb -0.11 -0.99 -0.04 0.00 -3.10 0.00 0.00 33.47 29.23 1wf5 s TRP 40 CO -0.11 -0.37 0.24 0.99 -2.66 0.00 0.00 176.95 175.04 1wf5 s THR 41 N -3.49 4.99 -0.39 0.66 2.01 0.18 -4.68 115.64 114.93 1wf5 s THR 41 Ca 0.33 -0.90 -0.29 0.00 0.31 0.00 0.00 61.69 61.14 1wf5 s THR 41 Cb 0.05 -3.59 0.02 0.00 0.01 0.00 0.00 72.50 68.99 1wf5 s THR 41 CO 0.16 -0.15 1.14 -0.75 -0.69 0.00 0.00 174.62 174.33 1wf5 s LYS 42 N -3.33 3.89 1.03 4.92 2.36 -1.26 -3.12 119.74 124.22 1wf5 s LYS 42 Ca 0.33 0.87 -0.16 0.00 -2.55 0.00 0.00 55.97 54.47 1wf5 s LYS 42 Cb -0.10 -3.83 0.21 0.00 -1.05 0.00 0.00 37.83 33.05 1wf5 s LYS 42 CO 0.27 -1.15 1.19 -1.25 1.55 0.00 0.00 175.35 175.96 1wf5 s PRO 43 N 4.09 0.18 -0.08 4.03 0.04 -1.26 -4.91 135.00 137.09 1wf5 s PRO 43 Ca 0.48 -0.07 -0.24 0.00 0.04 0.00 0.00 61.00 61.20 1wf5 s PRO 43 Cb -0.11 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 1wf5 s PRO 43 CO 0.24 -2.78 0.75 0.12 0.04 0.00 0.00 177.00 175.37 1wf5 s PHE 44 N -3.40 3.56 0.10 0.56 2.19 -1.26 -4.97 117.98 114.76 1wf5 s PHE 44 Ca 0.70 1.30 -0.30 0.00 0.33 0.00 0.00 56.93 58.96 1wf5 s PHE 44 Cb -0.09 -2.88 -0.06 0.00 -1.31 0.00 0.00 43.02 38.68 1wf5 s PHE 44 CO 0.54 0.02 1.01 0.16 1.83 0.00 0.00 175.22 178.78 1wf5 s ASP 45 N 0.89 7.41 0.46 6.13 -4.77 -1.26 -3.30 116.67 122.23 1wf5 s ASP 45 Ca 0.39 1.84 0.26 0.00 -3.30 0.00 0.00 52.55 51.75 1wf5 s ASP 45 Cb -0.18 -2.59 1.30 0.00 -1.09 0.00 0.00 42.92 40.36 1wf5 s ASP 45 CO 0.18 -0.15 1.79 1.23 0.70 0.00 0.00 175.17 178.92 1wf5 h GLY 46 N 5.75 0.71 0.00 2.12 0.00 -1.71 -3.42 103.07 106.52 1wf5 h GLY 46 Ca -0.43 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1wf5 h GLY 46 CO 0.73 -0.09 0.00 0.70 0.00 0.00 0.00 176.54 177.88 1wf5 n ASN 47 N -4.45 0.00 -4.94 0.19 3.02 -1.26 -4.15 115.26 103.66 1wf5 n ASN 47 Ca 0.25 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.56 1wf5 n ASN 47 Cb 1.03 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 40.19 1wf5 n ASN 47 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1wf5 s SER 48 N 0.00 6.24 -0.03 6.41 0.15 -1.26 -5.04 113.70 120.16 1wf5 s SER 48 Ca 0.00 0.45 -0.30 0.00 0.70 0.00 0.00 55.95 56.80 1wf5 s SER 48 Cb 0.00 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.30 1wf5 s SER 48 CO 0.00 -0.36 1.21 -2.16 1.20 0.00 0.00 173.24 173.13 1wf5 s PRO 49 N -4.36 4.37 1.00 5.44 0.04 -1.26 -4.81 135.00 135.41 1wf5 s PRO 49 Ca 0.41 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 62.99 1wf5 s PRO 49 Cb -0.10 -3.52 -0.13 0.00 0.04 0.00 0.00 34.50 30.79 1wf5 s PRO 49 CO 0.37 -0.41 -0.72 1.28 0.04 0.00 0.00 177.00 177.55 1wf5 n LEU 50 N 4.95 -5.46 0.02 -3.56 4.77 -1.26 -4.20 117.00 112.25 1wf5 n LEU 50 Ca 0.11 0.19 -0.02 0.00 -0.03 0.00 0.00 56.01 56.25 1wf5 n LEU 50 Cb 0.46 -0.79 -0.01 0.00 -2.33 0.00 0.00 43.42 40.75 1wf5 n LEU 50 CO 0.55 -5.75 -0.15 -0.38 -1.33 0.00 0.00 177.39 170.34 1wf5 n ILE 51 N -2.63 1.25 -3.72 -0.08 2.08 0.38 -4.78 119.36 111.86 1wf5 n ILE 51 Ca -0.01 0.34 -0.08 0.00 0.56 0.00 0.00 62.75 63.55 1wf5 n ILE 51 Cb 0.56 -1.74 0.02 0.00 -0.75 0.00 0.00 39.64 37.73 1wf5 n ILE 51 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 1wf5 n ARG 52 N -3.67 0.91 -4.06 0.38 1.85 0.23 -4.09 116.66 108.21 1wf5 n ARG 52 Ca -0.03 -1.97 -0.15 0.00 -1.00 0.00 0.00 57.85 54.70 1wf5 n ARG 52 Cb 0.11 2.36 -0.15 0.00 -1.05 0.00 0.00 32.46 33.73 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 -3.20 0.35 -0.53 2.89 1.51 -1.19 -0.33 117.35 116.86 1wf5 s TYR 53 Ca 0.15 -0.06 -0.13 0.00 -1.01 0.00 0.00 57.07 56.02 1wf5 s TYR 53 Cb -0.04 -0.27 0.13 0.00 -0.11 0.00 0.00 41.96 41.68 1wf5 s TYR 53 CO 0.11 -0.03 0.45 0.42 -1.11 0.00 0.00 175.55 175.39 1wf5 s ILE 54 N 0.11 4.77 -0.31 2.71 1.01 -1.23 -3.60 121.20 124.67 1wf5 s ILE 54 Ca -0.01 -1.72 -0.22 0.00 0.00 0.00 0.00 60.65 58.71 1wf5 s ILE 54 Cb -0.04 -4.09 -0.00 0.00 0.01 0.00 0.00 42.46 38.34 1wf5 s ILE 54 CO -0.00 -0.84 0.70 -0.22 0.00 0.00 0.00 174.94 174.58 1wf5 s LEU 55 N 1.37 4.12 -0.16 2.97 0.20 -0.64 -2.80 118.68 123.74 1wf5 s LEU 55 Ca 0.05 0.53 -0.03 0.00 0.69 0.00 0.00 54.13 55.37 1wf5 s LEU 55 Cb -0.27 -2.93 -0.02 0.00 -0.43 0.00 0.00 46.19 42.54 1wf5 s LEU 55 CO 0.00 -0.54 -0.05 -1.61 -0.29 0.00 0.00 176.35 173.86 1wf5 s GLU 56 N 2.76 3.59 0.03 1.98 2.02 -0.56 -2.15 118.70 126.37 1wf5 s GLU 56 Ca 0.28 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 54.72 1wf5 s GLU 56 Cb -0.15 -2.87 -0.04 0.00 0.10 0.00 0.00 34.13 31.17 1wf5 s GLU 56 CO 0.12 0.19 0.10 1.41 0.02 0.00 0.00 175.26 177.10 1wf5 s MET 57 N 0.48 3.06 -0.27 1.61 -2.45 -1.06 -1.46 119.30 119.21 1wf5 s MET 57 Ca -0.05 -0.54 0.02 0.00 -1.25 0.00 0.00 55.69 53.88 1wf5 s MET 57 Cb -0.15 -2.85 0.07 0.00 1.25 0.00 0.00 34.83 33.16 1wf5 s MET 57 CO 0.03 0.62 -0.05 0.45 1.05 0.00 0.00 175.02 177.12 1wf5 s SER 58 N -2.01 4.31 -0.77 1.11 0.15 -0.31 -1.80 113.70 114.38 1wf5 s SER 58 Ca 0.26 -1.50 -0.26 0.00 0.70 0.00 0.00 55.95 55.15 1wf5 s SER 58 Cb -0.12 -1.41 0.01 0.00 -1.71 0.00 0.00 66.02 62.78 1wf5 s SER 58 CO 0.18 -0.26 1.58 -0.70 1.20 0.00 0.00 173.24 175.24 1wf5 s GLU 59 N 1.18 3.00 2.05 5.44 2.12 -1.26 -0.96 118.70 130.27 1wf5 s GLU 59 Ca -0.03 -0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.17 1wf5 s GLU 59 Cb -0.19 -4.56 0.00 0.00 0.26 0.00 0.00 34.13 29.63 1wf5 s GLU 59 CO -0.07 -2.51 0.00 0.09 -0.54 0.00 0.00 175.26 172.23 1wf5 n ASN 60 N 10.97 0.00 -1.52 -1.70 3.02 -0.88 0.63 115.26 125.78 1wf5 n ASN 60 Ca 0.18 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.60 1wf5 n ASN 60 Cb 0.50 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.81 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 3.77 3.75 -4.88 6.41 4.13 -1.26 -4.96 115.26 122.21 1wf5 n ASN 61 Ca 0.00 -3.79 -0.32 0.00 1.68 0.00 0.00 54.58 52.14 1wf5 n ASN 61 Cb 0.00 -0.60 -0.05 0.00 -1.54 0.00 0.00 39.78 37.59 1wf5 n ASN 61 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wf5 s ALA 62 N -3.42 3.72 0.39 5.41 0.00 0.21 -5.07 121.76 123.00 1wf5 s ALA 62 Ca 0.49 -0.45 -0.24 0.00 0.00 0.00 0.00 51.96 51.76 1wf5 s ALA 62 Cb 0.42 -2.24 -0.09 0.00 0.00 0.00 0.00 23.12 21.22 1wf5 s ALA 62 CO 0.00 0.61 1.06 -1.25 0.00 0.00 0.00 175.76 176.18 1wf5 s PRO 63 N -2.48 4.19 -0.50 0.00 0.04 -1.26 -4.09 135.00 130.90 1wf5 s PRO 63 Ca 0.40 1.54 -0.40 0.00 0.04 0.00 0.00 61.00 62.58 1wf5 s PRO 63 Cb -0.12 -2.59 -0.17 0.00 0.04 0.00 0.00 34.50 31.66 1wf5 s PRO 63 CO 0.22 -0.12 2.21 0.91 0.04 0.00 0.00 177.00 180.26 1wf5 n TRP 64 N 0.01 1.24 -3.78 0.56 7.02 -1.26 -4.74 117.44 116.49 1wf5 n TRP 64 Ca 0.05 0.58 -0.37 0.00 -1.02 0.00 0.00 57.50 56.73 1wf5 n TRP 64 Cb 0.49 -2.38 -0.13 0.00 -2.42 0.00 0.00 31.31 26.88 1wf5 n TRP 64 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1wf5 s THR 65 N 6.80 3.94 -0.60 -0.99 -1.32 -0.75 -4.91 115.64 117.82 1wf5 s THR 65 Ca 1.18 -0.56 -0.28 0.00 -1.21 0.00 0.00 61.69 60.82 1wf5 s THR 65 Cb -1.26 -2.96 -0.11 0.00 -1.51 0.00 0.00 72.50 66.66 1wf5 s THR 65 CO 0.59 0.18 2.47 0.52 -2.21 0.00 0.00 174.62 176.17 1wf5 n VAL 66 N 4.87 -0.04 -0.07 5.08 0.31 -1.26 -2.57 118.33 124.63 1wf5 n VAL 66 Ca -0.15 -0.59 -0.07 0.00 -0.01 0.00 0.00 64.34 63.52 1wf5 n VAL 66 Cb 0.49 -2.22 -0.04 0.00 -0.91 0.00 0.00 33.84 31.17 1wf5 n VAL 66 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1wf5 h LEU 67 N 17.45 0.00 -8.10 7.52 5.85 -1.80 -3.45 115.31 132.79 1wf5 h LEU 67 Ca -0.20 -0.14 -0.69 0.00 0.84 0.00 0.00 57.88 57.70 1wf5 h LEU 67 Cb 1.28 0.00 -0.31 0.00 0.37 0.00 0.00 40.66 42.00 1wf5 h LEU 67 CO 1.20 0.85 -0.67 -0.76 -0.34 0.00 0.00 178.44 178.73 1wf5 s LEU 68 N -8.22 4.05 -0.16 2.25 1.43 -1.04 -4.96 118.68 112.04 1wf5 s LEU 68 Ca -0.15 -1.22 -0.14 0.00 -1.03 0.00 0.00 54.13 51.59 1wf5 s LEU 68 Cb 0.02 -1.77 -0.11 0.00 0.03 0.00 0.00 46.19 44.37 1wf5 s LEU 68 CO 0.27 -0.28 0.10 0.00 0.23 0.00 0.00 176.35 176.67 1wf5 h ALA 69 N 8.08 0.08 -1.67 4.21 0.00 -1.86 -1.70 119.26 126.40 1wf5 h ALA 69 Ca -0.22 -0.64 -0.63 0.00 0.00 0.00 0.00 54.91 53.42 1wf5 h ALA 69 Cb 1.07 0.43 -0.15 0.00 0.00 0.00 0.00 17.79 19.14 1wf5 h ALA 69 CO 0.56 0.42 0.53 0.45 0.00 0.00 0.00 179.25 181.20 1wf5 s SER 70 N -6.12 6.18 0.08 0.00 0.15 -1.26 -4.30 113.70 108.42 1wf5 s SER 70 Ca -0.17 -0.99 0.09 0.00 0.70 0.00 0.00 55.95 55.58 1wf5 s SER 70 Cb 0.02 -2.41 -0.03 0.00 -1.71 0.00 0.00 66.02 61.89 1wf5 s SER 70 CO 0.36 -1.43 -0.24 -0.69 1.20 0.00 0.00 173.24 172.44 1wf5 s VAL 71 N 4.01 1.98 0.22 4.45 1.01 -1.24 -4.96 120.40 125.87 1wf5 s VAL 71 Ca 0.22 -1.48 -0.30 0.00 0.00 0.00 0.00 61.98 60.42 1wf5 s VAL 71 Cb -0.17 -1.73 -0.09 0.00 0.00 0.00 0.00 36.38 34.39 1wf5 s VAL 71 CO 0.10 0.17 1.30 -1.81 0.00 0.00 0.00 175.10 174.86 1wf5 s ASP 72 N -1.59 6.89 0.30 3.32 1.01 -1.26 -3.14 116.67 122.20 1wf5 s ASP 72 Ca 0.10 2.44 0.15 0.00 0.71 0.00 0.00 52.55 55.95 1wf5 s ASP 72 Cb -0.10 -2.62 0.36 0.00 1.01 0.00 0.00 42.92 41.57 1wf5 s ASP 72 CO 0.04 -0.51 1.58 1.55 0.21 0.00 0.00 175.17 178.03 1wf5 h PRO 73 N 5.04 0.00 -0.01 8.23 0.13 -1.90 -2.64 132.00 140.86 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 0.54 0.00 1.63 -0.23 0.00 0.00 178.00 180.69 1wf5 n LYS 74 N -3.49 1.33 -3.50 0.86 5.02 -1.26 -4.79 118.16 112.33 1wf5 n LYS 74 Ca 0.00 -0.47 -0.37 0.00 -2.02 0.00 0.00 58.31 55.45 1wf5 n LYS 74 Cb 0.64 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 34.10 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 -2.00 3.60 -0.41 7.82 0.00 -0.99 -4.94 121.76 124.84 1wf5 s ALA 75 Ca 0.43 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 52.06 1wf5 s ALA 75 Cb 0.21 -2.43 0.04 0.00 0.00 0.00 0.00 23.12 20.95 1wf5 s ALA 75 CO 0.35 0.17 0.72 0.25 0.00 0.00 0.00 175.76 177.26 1wf5 n THR 76 N 3.18 0.24 -3.87 0.00 -2.24 -1.26 -4.89 114.28 105.44 1wf5 n THR 76 Ca -0.12 -0.62 -0.11 0.00 -2.27 0.00 0.00 64.05 60.93 1wf5 n THR 76 Cb 0.52 0.94 -0.10 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 -0.46 0.02 0.05 3.42 1.04 -1.26 0.54 113.70 117.05 1wf5 s SER 77 Ca 0.05 -0.21 -0.08 0.00 0.48 0.00 0.00 55.95 56.19 1wf5 s SER 77 Cb 0.03 0.21 -0.00 0.00 0.10 0.00 0.00 66.02 66.36 1wf5 s SER 77 CO 0.05 -0.39 0.16 0.54 0.98 0.00 0.00 173.24 174.58 1wf5 s VAL 78 N -1.45 0.12 -0.24 5.02 0.11 -0.73 -4.98 120.40 118.26 1wf5 s VAL 78 Ca -0.14 -1.03 0.01 0.00 -2.93 0.00 0.00 61.98 57.90 1wf5 s VAL 78 Cb -0.07 -1.01 0.06 0.00 -1.53 0.00 0.00 36.38 33.82 1wf5 s VAL 78 CO 0.01 -0.57 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.25 1wf5 s THR 79 N -2.88 1.75 0.45 5.04 2.01 -1.26 0.36 115.64 121.11 1wf5 s THR 79 Ca -0.03 -1.33 -0.20 0.00 0.31 0.00 0.00 61.69 60.44 1wf5 s THR 79 Cb 0.00 -1.94 -0.10 0.00 0.01 0.00 0.00 72.50 70.47 1wf5 s THR 79 CO -0.06 -0.05 0.97 -0.69 -0.69 0.00 0.00 174.62 174.11 1wf5 s VAL 80 N 1.30 4.30 -0.04 3.82 1.01 -0.30 -4.88 120.40 125.62 1wf5 s VAL 80 Ca -0.06 1.40 -0.06 0.00 0.00 0.00 0.00 61.98 63.25 1wf5 s VAL 80 Cb -0.19 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.62 1wf5 s VAL 80 CO -0.06 -0.35 0.15 -0.54 0.00 0.00 0.00 175.10 174.30 1wf5 s LYS 81 N -3.29 0.29 0.00 2.72 1.02 -1.26 -2.04 119.74 117.18 1wf5 s LYS 81 Ca 0.63 0.00 0.00 0.00 0.02 0.00 0.00 55.97 56.62 1wf5 s LYS 81 Cb -0.10 0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.33 1wf5 s LYS 81 CO 0.16 -0.05 0.00 0.41 -0.92 0.00 0.00 175.35 174.95 1wf5 n GLY 82 N 2.46 1.27 3.37 -3.33 0.00 -0.99 -5.01 105.19 102.96 1wf5 n GLY 82 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 1wf5 n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wf5 n LEU 83 N 0.00 0.00 -4.27 0.99 4.32 -0.37 -5.08 117.00 112.60 1wf5 n LEU 83 Ca 0.00 -1.26 -0.27 0.00 -0.02 0.00 0.00 56.01 54.46 1wf5 n LEU 83 Cb 0.00 -0.89 -0.14 0.00 -1.62 0.00 0.00 43.42 40.76 1wf5 n LEU 83 CO 0.00 -1.38 -0.53 -0.69 -1.22 0.00 0.00 177.39 173.56 1wf5 s VAL 84 N -3.50 1.77 0.38 4.08 1.01 -1.26 -4.72 120.40 118.16 1wf5 s VAL 84 Ca 0.66 -1.19 -0.25 0.00 0.00 0.00 0.00 61.98 61.20 1wf5 s VAL 84 Cb -0.02 -1.52 -0.09 0.00 0.00 0.00 0.00 36.38 34.75 1wf5 s VAL 84 CO 0.47 0.29 1.06 -2.16 0.00 0.00 0.00 175.10 174.75 1wf5 s PRO 85 N -1.08 4.24 -0.92 2.72 0.04 -1.26 -3.72 135.00 135.02 1wf5 s PRO 85 Ca 0.08 1.56 -0.00 0.00 0.04 0.00 0.00 61.00 62.69 1wf5 s PRO 85 Cb -0.09 -2.65 -0.00 0.00 0.04 0.00 0.00 34.50 31.80 1wf5 s PRO 85 CO 0.01 -0.09 0.77 0.00 0.04 0.00 0.00 177.00 177.73 1wf5 n ALA 86 N 0.13 -1.56 -3.39 8.56 0.00 0.83 -4.80 120.51 120.28 1wf5 n ALA 86 Ca 0.04 -0.04 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1wf5 n ALA 86 Cb 0.49 -2.00 -0.09 0.00 0.00 0.00 0.00 19.45 17.85 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 -5.04 0.65 0.31 0.00 0.52 -1.19 -4.94 118.95 109.26 1wf5 s ARG 87 Ca 0.00 0.54 -0.20 0.00 -0.52 0.00 0.00 55.73 55.54 1wf5 s ARG 87 Cb -0.00 0.31 -0.09 0.00 0.52 0.00 0.00 34.95 35.69 1wf5 s ARG 87 CO 0.56 -0.11 0.82 -1.12 0.02 0.00 0.00 175.30 175.47 1wf5 s SER 88 N -0.10 7.04 -0.08 0.23 0.01 -1.26 -0.66 113.70 118.88 1wf5 s SER 88 Ca -0.03 1.54 -0.04 0.00 1.31 0.00 0.00 55.95 58.74 1wf5 s SER 88 Cb -0.03 -2.47 0.04 0.00 0.21 0.00 0.00 66.02 63.77 1wf5 s SER 88 CO 0.02 -0.12 0.18 -0.31 0.41 0.00 0.00 173.24 173.42 1wf5 s TYR 89 N -1.78 -0.23 0.22 2.43 2.02 0.08 -2.07 117.35 118.02 1wf5 s TYR 89 Ca 0.51 0.60 0.07 0.00 -0.37 0.00 0.00 57.07 57.89 1wf5 s TYR 89 Cb -0.14 -0.04 -0.04 0.00 -0.40 0.00 0.00 41.96 41.34 1wf5 s TYR 89 CO 0.19 -0.20 0.09 -0.65 -1.57 0.00 0.00 175.55 173.41 1wf5 s GLN 90 N 1.26 2.64 -0.03 -0.62 -0.21 -0.13 -2.22 119.66 120.35 1wf5 s GLN 90 Ca -0.09 -1.11 -0.04 0.00 0.02 0.00 0.00 55.36 54.14 1wf5 s GLN 90 Cb -0.11 -2.44 0.01 0.00 1.00 0.00 0.00 33.01 31.47 1wf5 s GLN 90 CO -0.07 0.42 0.10 -0.06 -2.12 0.00 0.00 175.29 173.57 1wf5 s PHE 91 N -1.99 -0.05 -0.30 0.91 0.08 -1.26 -1.16 117.98 114.21 1wf5 s PHE 91 Ca 0.31 0.13 -0.04 0.00 0.12 0.00 0.00 56.93 57.44 1wf5 s PHE 91 Cb -0.08 0.00 0.19 0.00 -0.57 0.00 0.00 43.02 42.55 1wf5 s PHE 91 CO 0.22 -0.12 0.73 -0.98 -0.10 0.00 0.00 175.22 174.97 1wf5 s ARG 92 N -0.39 0.45 0.27 0.44 1.70 -0.54 -2.42 118.95 118.46 1wf5 s ARG 92 Ca -0.05 0.77 0.08 0.00 -0.47 0.00 0.00 55.73 56.06 1wf5 s ARG 92 Cb -0.03 0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 34.73 1wf5 s ARG 92 CO 0.00 -0.53 0.17 -0.48 -1.08 0.00 0.00 175.30 173.39 1wf5 s LEU 93 N 2.89 3.66 0.44 -1.89 2.34 -1.26 -1.50 118.68 123.36 1wf5 s LEU 93 Ca 0.14 -0.37 0.04 0.00 0.06 0.00 0.00 54.13 54.00 1wf5 s LEU 93 Cb -0.13 -2.20 -0.04 0.00 -0.56 0.00 0.00 46.19 43.26 1wf5 s LEU 93 CO -0.19 -0.08 0.03 0.00 -1.06 0.00 0.00 176.35 175.05 1wf5 s ALA 95 N -2.94 3.11 -0.06 0.00 0.00 -1.15 -3.53 121.76 117.19 1wf5 s ALA 95 Ca 0.21 -1.09 0.06 0.00 0.00 0.00 0.00 51.96 51.14 1wf5 s ALA 95 Cb 0.05 -1.98 -0.01 0.00 0.00 0.00 0.00 23.12 21.18 1wf5 s ALA 95 CO 0.11 -0.39 -0.25 0.08 0.00 0.00 0.00 175.76 175.31 1wf5 s VAL 96 N 1.44 2.02 0.08 0.00 1.01 0.55 0.20 120.40 125.70 1wf5 s VAL 96 Ca 0.05 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1wf5 s VAL 96 Cb -0.15 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.51 1wf5 s VAL 96 CO 0.02 0.56 0.04 -0.46 0.00 0.00 0.00 175.10 175.27 1wf5 n ASN 97 N 3.00 0.62 0.28 3.32 6.94 -0.47 0.14 115.26 129.08 1wf5 n ASN 97 Ca -0.18 -1.44 0.14 0.00 -0.02 0.00 0.00 54.58 53.09 1wf5 n ASN 97 Cb 0.52 0.25 0.80 0.00 -2.36 0.00 0.00 39.78 38.99 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 0.35 0.00 0.53 0.53 3.58 -1.87 -2.88 116.42 116.67 1wf5 h ASP 98 Ca -0.06 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.37 1wf5 h ASP 98 Cb 0.24 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.30 1wf5 h ASP 98 CO 0.09 0.08 -0.25 0.58 -2.88 0.00 0.00 179.24 176.86 1wf5 h VAL 99 N 0.00 0.02 0.00 2.25 2.07 -1.92 -3.50 116.25 115.17 1wf5 h VAL 99 Ca -0.00 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1wf5 h VAL 99 Cb 0.27 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1wf5 h VAL 99 CO 0.01 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.22 1wf5 n GLY 100 N -0.03 -1.19 3.63 2.17 0.00 -1.09 -5.07 105.19 103.61 1wf5 n GLY 100 Ca -0.09 -0.83 -0.41 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 -0.21 4.07 0.00 1.61 2.20 -1.26 -1.37 119.74 124.79 1wf5 s LYS 101 Ca 0.00 0.66 0.00 0.00 -0.36 0.00 0.00 55.97 56.27 1wf5 s LYS 101 Cb 0.00 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 1wf5 s LYS 101 CO 0.00 -0.53 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 1wf5 n GLY 102 N 4.07 -1.93 3.12 5.54 0.00 0.53 -4.95 105.19 111.57 1wf5 n GLY 102 Ca 0.03 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 1wf5 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wf5 s GLN 103 N 0.00 0.63 0.52 1.61 -2.07 -1.24 -4.86 119.66 114.25 1wf5 s GLN 103 Ca 0.00 -0.93 -0.08 0.00 -1.82 0.00 0.00 55.36 52.53 1wf5 s GLN 103 Cb 0.00 0.24 -0.04 0.00 -1.09 0.00 0.00 33.01 32.12 1wf5 s GLN 103 CO 0.00 -0.15 0.87 -0.06 -1.32 0.00 0.00 175.29 174.62 1wf5 s PHE 104 N -3.20 3.57 0.58 9.60 0.40 -1.26 -2.95 117.98 124.73 1wf5 s PHE 104 Ca 0.00 1.00 -0.05 0.00 -0.60 0.00 0.00 56.93 57.28 1wf5 s PHE 104 Cb 0.02 -2.46 0.01 0.00 0.51 0.00 0.00 43.02 41.10 1wf5 s PHE 104 CO -0.07 -0.39 0.88 -1.54 0.70 0.00 0.00 175.22 174.80 1wf5 s SER 105 N -3.99 5.58 0.90 1.36 1.04 0.08 -4.79 113.70 113.88 1wf5 s SER 105 Ca 0.50 0.64 -0.11 0.00 0.48 0.00 0.00 55.95 57.47 1wf5 s SER 105 Cb -0.10 -1.65 0.11 0.00 0.10 0.00 0.00 66.02 64.48 1wf5 s SER 105 CO 0.46 -1.04 1.00 0.29 0.98 0.00 0.00 173.24 174.93 1wf5 n LYS 106 N -2.54 -0.30 -1.81 4.02 4.76 -1.26 -4.67 118.16 116.37 1wf5 n LYS 106 Ca 0.04 -0.02 -0.43 0.00 -2.87 0.00 0.00 58.31 55.04 1wf5 n LYS 106 Cb 0.58 -2.28 -0.03 0.00 -1.84 0.00 0.00 35.03 31.46 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 -2.40 5.64 0.68 4.39 1.47 -1.26 -4.72 116.67 120.47 1wf5 s ASP 107 Ca 0.66 1.53 -0.17 0.00 1.18 0.00 0.00 52.55 55.76 1wf5 s ASP 107 Cb -0.24 -2.52 -0.04 0.00 -0.34 0.00 0.00 42.92 39.78 1wf5 s ASP 107 CO 0.58 -1.87 0.66 0.35 0.68 0.00 0.00 175.17 175.57 1wf5 n THR 108 N 7.59 2.29 -1.53 2.11 -2.24 -1.02 -4.70 114.28 116.78 1wf5 n THR 108 Ca 0.26 -0.42 -0.57 0.00 -2.27 0.00 0.00 64.05 61.05 1wf5 n THR 108 Cb 0.46 -0.85 -0.09 0.00 -2.10 0.00 0.00 70.33 67.76 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 -0.89 0.74 -1.09 -0.78 2.13 -1.26 -4.56 120.64 114.93 1wf5 n GLU 109 Ca 0.11 0.24 -0.32 0.00 0.66 0.00 0.00 57.16 57.85 1wf5 n GLU 109 Cb 0.49 -2.01 -0.11 0.00 0.27 0.00 0.00 31.44 30.09 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 6.61 0.00 -2.97 5.31 0.63 -1.26 -4.75 116.66 120.24 1wf5 n ARG 110 Ca 0.38 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.88 1wf5 n ARG 110 Cb 0.10 -1.11 -0.05 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 6.40 4.62 0.01 5.15 1.01 -0.94 -4.89 120.40 131.75 1wf5 s VAL 111 Ca 0.99 0.27 -0.12 0.00 0.00 0.00 0.00 61.98 63.12 1wf5 s VAL 111 Cb -0.96 -4.36 -0.05 0.00 0.00 0.00 0.00 36.38 31.01 1wf5 s VAL 111 CO 0.38 -0.82 0.37 -0.55 0.00 0.00 0.00 175.10 174.48 1wf5 s SER 112 N 2.36 6.70 0.03 3.32 0.15 -1.26 -0.74 113.70 124.25 1wf5 s SER 112 Ca 0.28 0.84 -0.14 0.00 0.70 0.00 0.00 55.95 57.62 1wf5 s SER 112 Cb -0.13 -2.20 -0.06 0.00 -1.71 0.00 0.00 66.02 61.92 1wf5 s SER 112 CO 0.20 0.29 0.43 -0.22 1.20 0.00 0.00 173.24 175.15 1wf5 s LEU 113 N -1.32 4.46 0.54 3.45 2.96 0.16 -4.91 118.68 124.01 1wf5 s LEU 113 Ca 0.25 0.98 -0.18 0.00 -0.22 0.00 0.00 54.13 54.96 1wf5 s LEU 113 Cb -0.15 -2.71 -0.06 0.00 0.50 0.00 0.00 46.19 43.77 1wf5 s LEU 113 CO 0.14 0.29 1.04 -2.16 -1.32 0.00 0.00 176.35 174.34 1wf5 s PRO 114 N -1.25 3.58 0.03 0.98 0.04 -1.26 -0.12 135.00 137.00 1wf5 s PRO 114 Ca 0.26 1.25 -0.30 0.00 0.04 0.00 0.00 61.00 62.25 1wf5 s PRO 114 Cb -0.16 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 1wf5 s PRO 114 CO 0.15 -0.60 1.23 -2.00 0.04 0.00 0.00 177.00 175.82 1wf5 s GLU 115 N -3.71 4.39 -0.00 4.56 2.12 -1.26 -2.86 118.70 121.94 1wf5 s GLU 115 Ca 0.65 1.79 -0.00 0.00 0.36 0.00 0.00 54.97 57.76 1wf5 s GLU 115 Cb -0.16 -3.42 -0.00 0.00 0.26 0.00 0.00 34.13 30.81 1wf5 s GLU 115 CO 0.29 -0.35 -0.01 0.43 -0.54 0.00 0.00 175.26 175.08 1wf5 n SER 116 N 4.40 0.08 -4.83 -1.70 7.64 -1.26 -4.94 113.62 113.01 1wf5 n SER 116 Ca 0.10 0.01 -0.22 0.00 1.01 0.00 0.00 58.87 59.78 1wf5 n SER 116 Cb 0.46 -0.27 -0.04 0.00 -1.01 0.00 0.00 64.21 63.35 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 -3.08 1.56 -1.15 0.23 0.00 -1.26 -5.00 107.32 98.62 1wf5 s GLY 117 Ca -0.01 -1.52 -0.13 0.00 0.00 0.00 0.00 44.72 43.06 1wf5 s GLY 117 CO 0.01 -1.51 2.25 -1.55 0.00 0.00 0.00 173.10 172.30 1wf5 n PRO 118 N -1.26 2.42 0.37 2.90 -0.04 -1.26 -4.63 135.00 133.51 1wf5 n PRO 118 Ca -0.05 -2.01 -0.16 0.00 -0.04 0.00 0.00 63.50 61.24 1wf5 n PRO 118 Cb 0.59 -2.87 -0.08 0.00 -0.04 0.00 0.00 33.50 31.10 1wf5 n PRO 118 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wf5 h SER 119 N 6.44 -0.82 -3.61 3.54 0.87 -1.96 -3.39 113.55 114.63 1wf5 h SER 119 Ca 0.57 0.01 -0.61 0.00 -1.23 0.00 0.00 61.79 60.53 1wf5 h SER 119 Cb 0.46 0.21 -0.11 0.00 -0.44 0.00 0.00 62.40 62.52 1wf5 h SER 119 CO 1.78 -0.46 0.53 -0.44 -0.53 0.00 0.00 176.83 177.71 1wf5 s SER 120 N -4.43 6.46 0.00 6.23 0.01 -1.26 -5.26 113.70 115.44 1wf5 s SER 120 Ca -0.15 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.12 1wf5 s SER 120 Cb 0.02 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.81 1wf5 s SER 120 CO 0.47 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.69