#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg4 n SER 2 N 0.00 -3.02 -4.47 1.61 7.64 -1.26 -4.86 113.62 109.26 1wg4 n SER 2 Ca 0.00 1.36 -0.43 0.00 1.01 0.00 0.00 58.87 60.81 1wg4 n SER 2 Cb 0.00 -5.16 -0.04 0.00 -1.01 0.00 0.00 64.21 58.00 1wg4 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wg4 s SER 3 N -0.96 6.18 0.30 6.43 0.15 -1.26 -5.02 113.70 119.52 1wg4 s SER 3 Ca -0.19 -0.95 -0.00 0.00 0.70 0.00 0.00 55.95 55.51 1wg4 s SER 3 Cb 0.01 -2.44 -0.04 0.00 -1.71 0.00 0.00 66.02 61.85 1wg4 s SER 3 CO 0.77 -1.49 0.50 -0.83 1.20 0.00 0.00 173.24 173.39 1wg4 s GLY 4 N 3.70 1.52 -0.30 9.45 0.00 -1.26 -5.09 107.32 115.34 1wg4 s GLY 4 Ca 0.24 -0.85 -0.13 0.00 0.00 0.00 0.00 44.72 43.98 1wg4 s GLY 4 CO 0.10 -0.79 1.06 -0.45 0.00 0.00 0.00 173.10 173.02 1wg4 s SER 5 N -3.69 -0.44 0.22 1.64 0.15 -1.26 -5.08 113.70 105.24 1wg4 s SER 5 Ca 0.40 0.26 -0.32 0.00 0.70 0.00 0.00 55.95 56.99 1wg4 s SER 5 Cb -0.10 1.36 -0.14 0.00 -1.71 0.00 0.00 66.02 65.43 1wg4 s SER 5 CO 0.33 -0.08 1.44 -0.24 1.20 0.00 0.00 173.24 175.89 1wg4 n SER 6 N 5.45 2.78 0.00 5.45 2.88 -1.26 -3.78 113.62 125.15 1wg4 n SER 6 Ca -0.06 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 1wg4 n SER 6 Cb 0.54 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 1wg4 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg4 n GLY 7 N 2.40 1.22 0.00 0.46 0.00 -1.26 -4.90 105.19 103.11 1wg4 n GLY 7 Ca 0.13 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1wg4 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wg4 n GLY 8 N 0.00 -0.77 3.80 -0.02 0.00 -1.25 -5.15 105.19 101.81 1wg4 n GLY 8 Ca 0.00 0.54 -0.33 0.00 0.00 0.00 0.00 46.02 46.23 1wg4 n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wg4 s PRO 9 N 0.57 3.55 0.67 1.61 0.04 -1.26 -4.83 135.00 135.35 1wg4 s PRO 9 Ca 0.00 1.24 -0.12 0.00 0.04 0.00 0.00 61.00 62.16 1wg4 s PRO 9 Cb 0.00 -2.06 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 1wg4 s PRO 9 CO 0.00 -0.63 1.06 -1.25 0.04 0.00 0.00 177.00 176.22 1wg4 s PRO 10 N -3.77 3.02 0.43 0.56 0.04 -1.26 -4.96 135.00 129.06 1wg4 s PRO 10 Ca 0.65 0.99 -0.22 0.00 0.04 0.00 0.00 61.00 62.46 1wg4 s PRO 10 Cb -0.16 -2.00 -0.13 0.00 0.04 0.00 0.00 34.50 32.26 1wg4 s PRO 10 CO 0.30 -1.03 0.47 -2.37 0.04 0.00 0.00 177.00 174.41 1wg4 n THR 11 N -2.92 1.61 -3.33 1.26 5.66 -1.26 -4.97 114.28 110.33 1wg4 n THR 11 Ca 0.08 -0.50 -0.21 0.00 -3.05 0.00 0.00 64.05 60.37 1wg4 n THR 11 Cb 0.53 -0.46 -0.08 0.00 -1.55 0.00 0.00 70.33 68.77 1wg4 n THR 11 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1wg4 s ARG 12 N -1.52 0.73 0.19 1.09 1.81 -1.26 -4.96 118.95 115.03 1wg4 s ARG 12 Ca 0.63 -1.31 0.13 0.00 -1.72 0.00 0.00 55.73 53.47 1wg4 s ARG 12 Cb -0.60 -0.96 -0.05 0.00 -0.45 0.00 0.00 34.95 32.89 1wg4 s ARG 12 CO 0.59 -1.26 1.27 0.00 -0.68 0.00 0.00 175.30 175.21 1wg4 h ARG 13 N 6.48 0.00 0.00 3.54 3.08 -1.98 -3.47 114.38 122.03 1wg4 h ARG 13 Ca 0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 1wg4 h ARG 13 Cb 1.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 1wg4 h ARG 13 CO 0.24 0.59 -0.03 0.43 -1.07 0.00 0.00 179.97 180.12 1wg4 n SER 14 N -3.19 0.17 -3.18 7.04 7.64 -1.26 -5.11 113.62 115.73 1wg4 n SER 14 Ca -0.01 -1.16 -0.23 0.00 1.01 0.00 0.00 58.87 58.48 1wg4 n SER 14 Cb 0.82 0.11 -0.06 0.00 -1.01 0.00 0.00 64.21 64.07 1wg4 n SER 14 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1wg4 n ASP 15 N -2.71 0.20 -3.26 6.43 8.00 -1.26 -5.04 116.55 118.91 1wg4 n ASP 15 Ca 0.00 -2.76 -0.04 0.00 0.71 0.00 0.00 54.79 52.70 1wg4 n ASP 15 Cb 0.04 -0.57 -0.04 0.00 -0.02 0.00 0.00 41.12 40.53 1wg4 n ASP 15 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1wg4 s PHE 16 N -1.34 -1.24 0.14 1.24 0.08 -1.26 -5.04 117.98 110.57 1wg4 s PHE 16 Ca 0.36 0.92 0.01 0.00 0.12 0.00 0.00 56.93 58.33 1wg4 s PHE 16 Cb 0.20 0.14 -0.04 0.00 -0.57 0.00 0.00 43.02 42.75 1wg4 s PHE 16 CO -0.11 -0.90 0.01 -0.98 -0.10 0.00 0.00 175.22 173.14 1wg4 s ARG 17 N 2.66 0.98 -0.05 0.44 1.70 -1.26 -0.63 118.95 122.80 1wg4 s ARG 17 Ca 0.13 -1.46 0.05 0.00 -0.47 0.00 0.00 55.73 53.98 1wg4 s ARG 17 Cb -0.13 -0.05 -0.01 0.00 -0.57 0.00 0.00 34.95 34.19 1wg4 s ARG 17 CO -0.23 -0.16 -0.21 0.14 -1.08 0.00 0.00 175.30 173.75 1wg4 s VAL 18 N -3.81 1.77 -0.36 4.99 -7.23 0.18 -4.52 120.40 111.43 1wg4 s VAL 18 Ca 0.22 -0.91 -0.18 0.00 -1.81 0.00 0.00 61.98 59.30 1wg4 s VAL 18 Cb 0.07 -1.50 -0.00 0.00 0.56 0.00 0.00 36.38 35.50 1wg4 s VAL 18 CO 0.01 0.50 0.49 -0.76 -0.31 0.00 0.00 175.10 175.03 1wg4 s LEU 19 N -0.09 4.41 -0.10 1.32 2.01 0.87 -2.51 118.68 124.59 1wg4 s LEU 19 Ca -0.03 -0.13 -0.14 0.00 0.01 0.00 0.00 54.13 53.84 1wg4 s LEU 19 Cb -0.13 -2.53 -0.05 0.00 0.01 0.00 0.00 46.19 43.49 1wg4 s LEU 19 CO 0.03 -0.48 0.35 -0.69 1.01 0.00 0.00 176.35 176.57 1wg4 s VAL 20 N 2.33 5.22 0.00 -1.59 1.01 0.15 -2.96 120.40 124.56 1wg4 s VAL 20 Ca 0.17 0.68 0.01 0.00 0.00 0.00 0.00 61.98 62.84 1wg4 s VAL 20 Cb -0.16 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1wg4 s VAL 20 CO 0.13 0.46 -0.02 -0.94 0.00 0.00 0.00 175.10 174.73 1wg4 s SER 21 N -0.11 0.23 0.00 3.32 1.04 -1.13 0.18 113.70 117.23 1wg4 s SER 21 Ca 0.20 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1wg4 s SER 21 Cb -0.14 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1wg4 s SER 21 CO 0.08 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.87 1wg4 n GLY 22 N 2.76 1.38 3.86 7.32 0.00 0.52 -1.15 105.19 119.89 1wg4 n GLY 22 Ca -0.14 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 1wg4 n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wg4 s LEU 23 N -0.08 3.55 0.95 0.99 1.43 0.50 -3.99 118.68 122.03 1wg4 s LEU 23 Ca 0.00 1.37 -0.13 0.00 -1.03 0.00 0.00 54.13 54.33 1wg4 s LEU 23 Cb 0.00 -4.33 0.16 0.00 0.03 0.00 0.00 46.19 42.05 1wg4 s LEU 23 CO 0.00 -0.63 1.15 -2.16 0.23 0.00 0.00 176.35 174.94 1wg4 s PRO 24 N -4.42 0.85 0.39 1.29 0.04 -1.26 -4.25 135.00 127.63 1wg4 s PRO 24 Ca 0.55 0.18 0.27 0.00 0.04 0.00 0.00 61.00 62.04 1wg4 s PRO 24 Cb -0.10 -1.81 0.88 0.00 0.04 0.00 0.00 34.50 33.50 1wg4 s PRO 24 CO 0.39 -2.38 1.78 -1.00 0.04 0.00 0.00 177.00 175.84 1wg4 h PRO 25 N -1.63 0.00 0.00 0.56 0.13 -1.95 -3.08 132.00 126.03 1wg4 h PRO 25 Ca -0.49 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1wg4 h PRO 25 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1wg4 h PRO 25 CO 0.57 0.00 -1.68 0.45 -0.23 0.00 0.00 178.00 177.11 1wg4 n SER 26 N -2.75 1.71 -3.94 1.44 2.88 -1.26 -5.02 113.62 106.68 1wg4 n SER 26 Ca 0.03 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.15 1wg4 n SER 26 Cb 0.38 1.60 -0.02 0.00 -0.75 0.00 0.00 64.21 65.42 1wg4 n SER 26 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg4 n GLY 27 N 1.72 -1.90 3.50 0.46 0.00 -1.17 -4.35 105.19 103.45 1wg4 n GLY 27 Ca -0.04 0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1wg4 n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg4 s SER 28 N -0.90 2.72 -0.08 1.61 0.01 -1.26 -4.91 113.70 110.89 1wg4 s SER 28 Ca 0.56 -1.42 -0.26 0.00 1.31 0.00 0.00 55.95 56.14 1wg4 s SER 28 Cb -0.75 -0.05 -0.25 0.00 0.21 0.00 0.00 66.02 65.19 1wg4 s SER 28 CO 0.53 -0.63 0.95 4.11 0.41 0.00 0.00 173.24 178.62 1wg4 h TRP 29 N 2.00 0.15 -0.43 2.43 5.08 -1.93 -2.27 115.95 120.98 1wg4 h TRP 29 Ca -0.41 -0.09 0.05 0.00 1.08 0.00 0.00 58.89 59.52 1wg4 h TRP 29 Cb 1.25 -0.01 -0.08 0.00 -3.00 0.00 0.00 29.16 27.32 1wg4 h TRP 29 CO 0.73 0.94 -0.49 0.37 -1.28 0.00 0.00 178.44 178.70 1wg4 h GLN 30 N -0.67 -0.29 -0.59 0.12 -0.00 -1.97 1.55 115.11 113.27 1wg4 h GLN 30 Ca -0.02 0.02 0.05 0.00 -0.00 0.00 0.00 58.65 58.69 1wg4 h GLN 30 Cb 0.99 0.07 -0.05 0.00 0.00 0.00 0.00 27.48 28.49 1wg4 h GLN 30 CO 0.03 -0.19 0.32 -0.44 0.00 0.00 0.00 178.83 178.55 1wg4 h ASP 31 N -0.30 0.47 -0.08 -0.69 3.32 -1.94 -0.58 116.42 116.62 1wg4 h ASP 31 Ca 0.07 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.19 1wg4 h ASP 31 Cb 0.50 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 1wg4 h ASP 31 CO -0.56 0.32 -0.18 0.25 -1.72 0.00 0.00 179.24 177.34 1wg4 h LEU 32 N 0.61 -0.56 0.15 1.55 6.46 -0.26 -1.48 115.31 121.78 1wg4 h LEU 32 Ca 0.26 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 58.11 1wg4 h LEU 32 Cb 0.15 0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.30 1wg4 h LEU 32 CO -0.16 -0.24 -0.34 0.50 -0.62 0.00 0.00 178.44 177.58 1wg4 h LYS 33 N -0.26 -0.52 -1.69 1.25 3.64 0.28 1.54 116.57 120.82 1wg4 h LYS 33 Ca 0.08 0.04 0.49 0.00 -1.27 0.00 0.00 60.65 59.99 1wg4 h LYS 33 Cb 0.37 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.24 1wg4 h LYS 33 CO -0.23 -0.34 1.32 -0.44 -2.27 0.00 0.00 179.45 177.49 1wg4 h ASP 34 N -0.54 0.00 0.00 4.20 3.32 -0.87 1.74 116.42 124.27 1wg4 h ASP 34 Ca -0.02 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 1wg4 h ASP 34 Cb 0.51 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1wg4 h ASP 34 CO -0.14 0.00 -0.55 -0.74 -1.72 0.00 0.00 179.24 176.08 1wg4 h HIS 35 N 0.00 0.00 -0.94 4.55 2.76 0.47 -3.37 115.15 118.62 1wg4 h HIS 35 Ca 0.80 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 59.05 1wg4 h HIS 35 Cb 3.43 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 32.32 1wg4 h HIS 35 CO 0.00 0.73 0.59 0.52 -1.30 0.00 0.00 177.93 178.47 1wg4 h MET 36 N -1.00 1.01 -1.56 5.26 2.86 0.77 -1.11 114.93 121.17 1wg4 h MET 36 Ca -0.12 -0.06 0.45 0.00 -2.06 0.00 0.00 59.70 57.91 1wg4 h MET 36 Cb 0.80 -0.23 -0.06 0.00 0.06 0.00 0.00 31.60 32.17 1wg4 h MET 36 CO -0.07 0.67 1.34 0.00 1.06 0.00 0.00 176.91 179.90 1wg4 h ARG 37 N 1.04 0.00 -0.69 1.72 2.47 0.21 0.14 114.38 119.28 1wg4 h ARG 37 Ca 0.42 0.00 0.28 0.00 -1.26 0.00 0.00 59.98 59.42 1wg4 h ARG 37 Cb 0.24 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.45 1wg4 h ARG 37 CO -0.20 0.00 0.38 0.39 0.56 0.00 0.00 179.97 181.10 1wg4 n GLU 38 N -3.63 -0.04 0.00 0.04 -0.58 -0.42 -0.15 120.64 115.86 1wg4 n GLU 38 Ca 0.35 0.89 0.00 0.00 -0.42 0.00 0.00 57.16 57.99 1wg4 n GLU 38 Cb 1.80 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 31.05 1wg4 n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wg4 n ALA 39 N -2.52 -0.26 -2.00 0.62 0.00 0.04 -4.96 120.51 111.43 1wg4 n ALA 39 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1wg4 n ALA 39 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.32 1wg4 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wg4 n GLY 40 N -0.50 1.76 3.70 0.00 0.00 0.79 -4.95 105.19 105.99 1wg4 n GLY 40 Ca 0.00 0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 1wg4 n GLY 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wg4 s ASP 41 N 1.95 5.92 -0.21 1.61 -1.08 -1.26 -4.71 116.67 118.89 1wg4 s ASP 41 Ca 0.00 0.18 -0.06 0.00 -0.52 0.00 0.00 52.55 52.15 1wg4 s ASP 41 Cb 0.00 -2.01 -0.02 0.00 -1.46 0.00 0.00 42.92 39.42 1wg4 s ASP 41 CO 0.00 0.20 0.02 -0.69 0.52 0.00 0.00 175.17 175.22 1wg4 s VAL 42 N 0.22 4.01 -0.16 1.11 1.01 -1.26 -3.91 120.40 121.41 1wg4 s VAL 42 Ca 0.06 -0.29 0.16 0.00 0.00 0.00 0.00 61.98 61.92 1wg4 s VAL 42 Cb -0.12 -2.83 -0.23 0.00 0.00 0.00 0.00 36.38 33.20 1wg4 s VAL 42 CO -0.00 0.41 0.09 0.00 0.00 0.00 0.00 175.10 175.59 1wg4 s TYR 44 N -2.51 2.51 -0.24 0.00 6.14 -1.24 -4.98 117.35 117.03 1wg4 s TYR 44 Ca -0.09 -0.71 -0.04 0.00 0.64 0.00 0.00 57.07 56.87 1wg4 s TYR 44 Cb 0.06 -1.64 0.13 0.00 0.42 0.00 0.00 41.96 40.93 1wg4 s TYR 44 CO 0.73 -0.21 0.41 0.00 0.64 0.00 0.00 175.55 177.13 1wg4 s ALA 45 N -0.10 -1.24 0.01 3.97 0.00 -1.26 -2.09 121.76 121.06 1wg4 s ALA 45 Ca -0.05 1.16 -0.04 0.00 0.00 0.00 0.00 51.96 53.03 1wg4 s ALA 45 Cb -0.14 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.33 1wg4 s ALA 45 CO 0.04 -1.15 0.06 -0.51 0.00 0.00 0.00 175.76 174.20 1wg4 s ASP 46 N 2.60 0.13 -0.01 0.00 1.11 -0.28 -4.95 116.67 115.27 1wg4 s ASP 46 Ca 0.10 -0.36 -0.01 0.00 0.18 0.00 0.00 52.55 52.46 1wg4 s ASP 46 Cb -0.15 0.16 0.00 0.00 1.07 0.00 0.00 42.92 44.00 1wg4 s ASP 46 CO -0.16 -0.34 0.04 -0.69 1.18 0.00 0.00 175.17 175.20 1wg4 s VAL 47 N -1.47 0.01 0.41 -1.27 1.01 -1.26 -0.57 120.40 117.26 1wg4 s VAL 47 Ca -0.15 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 61.83 1wg4 s VAL 47 Cb -0.09 -0.08 -0.07 0.00 0.00 0.00 0.00 36.38 36.14 1wg4 s VAL 47 CO 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 175.10 175.11 1wg4 s GLN 48 N -0.10 2.02 0.22 2.72 -2.07 0.42 -4.97 119.66 117.91 1wg4 s GLN 48 Ca -0.01 -2.05 -0.04 0.00 -1.82 0.00 0.00 55.36 51.44 1wg4 s GLN 48 Cb -0.01 -1.72 0.06 0.00 -1.09 0.00 0.00 33.01 30.25 1wg4 s GLN 48 CO 0.00 -0.07 0.15 0.36 -1.32 0.00 0.00 175.29 174.41 1wg4 n LYS 49 N -1.04 -2.20 0.00 9.60 0.00 -1.26 -3.41 118.16 119.85 1wg4 n LYS 49 Ca -0.04 -0.24 0.00 0.00 -0.00 0.00 0.00 58.31 58.03 1wg4 n LYS 49 Cb 0.66 -0.29 0.00 0.00 -0.00 0.00 0.00 35.03 35.40 1wg4 n LYS 49 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1wg4 n ASP 50 N -3.41 0.00 0.00 -5.58 -0.08 -1.26 -3.06 116.55 103.16 1wg4 n ASP 50 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1wg4 n ASP 50 Cb 0.09 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.55 1wg4 n ASP 50 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wg4 n GLY 51 N 0.00 0.00 3.26 0.27 0.00 -1.25 -4.68 105.19 102.79 1wg4 n GLY 51 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1wg4 n GLY 51 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wg4 s MET 52 N 0.00 1.84 0.22 1.61 -1.94 -1.17 0.20 119.30 120.05 1wg4 s MET 52 Ca 0.00 -0.84 0.03 0.00 -1.71 0.00 0.00 55.69 53.17 1wg4 s MET 52 Cb 0.00 -1.80 -0.05 0.00 2.01 0.00 0.00 34.83 34.99 1wg4 s MET 52 CO 0.00 0.49 0.01 0.20 -0.01 0.00 0.00 175.02 175.71 1wg4 s GLY 53 N -0.59 1.47 -0.17 -0.03 0.00 0.47 -0.43 107.32 108.05 1wg4 s GLY 53 Ca 0.09 -1.72 -0.09 0.00 0.00 0.00 0.00 44.72 42.99 1wg4 s GLY 53 CO -0.01 -1.62 0.40 -0.29 0.00 0.00 0.00 173.10 171.59 1wg4 s MET 54 N -3.89 0.39 0.02 2.90 1.75 0.26 0.32 119.30 121.05 1wg4 s MET 54 Ca 0.28 0.76 0.01 0.00 -1.25 0.00 0.00 55.69 55.49 1wg4 s MET 54 Cb 0.06 -0.01 -0.01 0.00 2.84 0.00 0.00 34.83 37.70 1wg4 s MET 54 CO 0.08 -0.15 -0.04 0.14 -0.65 0.00 0.00 175.02 174.39 1wg4 s VAL 55 N 1.31 0.27 0.08 10.11 -7.23 -1.05 -1.12 120.40 122.77 1wg4 s VAL 55 Ca -0.09 -0.68 0.10 0.00 -1.81 0.00 0.00 61.98 59.50 1wg4 s VAL 55 Cb -0.08 -0.33 -0.03 0.00 0.56 0.00 0.00 36.38 36.49 1wg4 s VAL 55 CO -0.12 -0.27 -0.25 -1.61 -0.31 0.00 0.00 175.10 172.54 1wg4 s GLU 56 N -1.00 1.71 0.21 4.82 2.02 -0.89 -0.64 118.70 124.92 1wg4 s GLU 56 Ca -0.08 -1.17 0.10 0.00 0.02 0.00 0.00 54.97 53.84 1wg4 s GLU 56 Cb -0.07 -1.99 -0.04 0.00 0.10 0.00 0.00 34.13 32.13 1wg4 s GLU 56 CO -0.00 0.49 -0.21 0.71 0.02 0.00 0.00 175.26 176.28 1wg4 s TYR 57 N -0.92 2.11 -0.97 1.61 2.02 0.20 -2.89 117.35 118.50 1wg4 s TYR 57 Ca 0.13 -0.40 0.12 0.00 -0.37 0.00 0.00 57.07 56.55 1wg4 s TYR 57 Cb -0.10 -1.01 0.54 0.00 -0.40 0.00 0.00 41.96 40.99 1wg4 s TYR 57 CO 0.04 0.49 1.39 1.28 -1.57 0.00 0.00 175.55 177.18 1wg4 n LEU 58 N 0.02 3.86 -3.77 -1.29 7.99 -1.25 -4.46 117.00 118.10 1wg4 n LEU 58 Ca -0.11 -1.95 -0.13 0.00 -0.01 0.00 0.00 56.01 53.82 1wg4 n LEU 58 Cb 0.58 -0.54 -0.12 0.00 -0.11 0.00 0.00 43.42 43.23 1wg4 n LEU 58 CO 0.32 0.58 -0.08 -0.13 -1.51 0.00 0.00 177.39 176.57 1wg4 s ARG 59 N -1.94 0.29 0.02 3.23 1.81 -1.26 -5.06 118.95 116.05 1wg4 s ARG 59 Ca 0.38 0.42 -0.28 0.00 -1.72 0.00 0.00 55.73 54.53 1wg4 s ARG 59 Cb 0.26 0.08 -0.16 0.00 -0.45 0.00 0.00 34.95 34.68 1wg4 s ARG 59 CO 0.15 -0.07 1.24 -0.22 -0.68 0.00 0.00 175.30 175.72 1wg4 h LYS 60 N 6.11 -0.78 -0.71 3.54 3.64 -1.95 -2.70 116.57 123.71 1wg4 h LYS 60 Ca -0.30 0.05 0.16 0.00 -1.27 0.00 0.00 60.65 59.29 1wg4 h LYS 60 Cb 1.18 0.18 -0.12 0.00 -0.41 0.00 0.00 32.23 33.07 1wg4 h LYS 60 CO 0.35 -0.47 0.07 0.93 -2.27 0.00 0.00 179.45 178.06 1wg4 h GLU 61 N -1.06 0.16 -0.80 1.90 5.08 -1.99 0.37 114.58 118.24 1wg4 h GLU 61 Ca -0.08 -0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.44 1wg4 h GLU 61 Cb 0.67 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.78 1wg4 h GLU 61 CO 0.14 0.11 0.29 0.22 -1.00 0.00 0.00 179.01 178.77 1wg4 h ASP 62 N 0.17 0.21 0.70 1.42 1.82 -1.91 1.02 116.42 119.85 1wg4 h ASP 62 Ca 0.39 0.14 -0.03 0.00 -0.39 0.00 0.00 57.03 57.14 1wg4 h ASP 62 Cb 0.67 0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.81 1wg4 h ASP 62 CO -0.57 0.03 -0.44 -0.03 -1.61 0.00 0.00 179.24 176.62 1wg4 h MET 63 N 0.38 -1.04 -0.78 0.28 4.05 0.06 -1.17 114.93 116.71 1wg4 h MET 63 Ca 0.46 0.07 0.03 0.00 -0.28 0.00 0.00 59.70 59.98 1wg4 h MET 63 Cb 0.79 0.24 -0.05 0.00 -0.80 0.00 0.00 31.60 31.78 1wg4 h MET 63 CO -0.48 -0.69 0.50 0.93 0.23 0.00 0.00 176.91 177.40 1wg4 h GLU 64 N -1.08 0.95 0.02 0.39 5.08 -0.70 0.66 114.58 119.90 1wg4 h GLU 64 Ca -0.09 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1wg4 h GLU 64 Cb 0.87 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1wg4 h GLU 64 CO 0.08 0.63 -0.16 -0.92 -1.00 0.00 0.00 179.01 177.64 1wg4 h TYR 65 N 0.98 -0.46 -0.98 4.33 5.03 0.13 0.23 116.97 126.23 1wg4 h TYR 65 Ca 0.31 0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.73 1wg4 h TYR 65 Cb -0.01 0.20 -0.08 0.00 1.55 0.00 0.00 36.73 38.39 1wg4 h TYR 65 CO -0.03 -0.17 0.62 0.00 -1.32 0.00 0.00 178.16 177.25 1wg4 h ALA 66 N -1.21 1.43 -0.07 1.82 0.00 -1.14 0.69 119.26 120.78 1wg4 h ALA 66 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1wg4 h ALA 66 Cb 0.22 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1wg4 h ALA 66 CO -0.10 0.28 -0.52 -0.07 0.00 0.00 0.00 179.25 178.85 1wg4 h LEU 67 N 1.03 -1.61 0.10 0.00 3.38 -0.07 0.53 115.31 118.67 1wg4 h LEU 67 Ca 0.46 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.62 1wg4 h LEU 67 Cb 0.36 0.63 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1wg4 h LEU 67 CO -0.23 -0.49 -0.05 0.03 0.09 0.00 0.00 178.44 177.78 1wg4 h ARG 68 N -0.61 -0.13 -0.47 1.13 2.47 0.13 0.61 114.38 117.50 1wg4 h ARG 68 Ca 0.03 0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.80 1wg4 h ARG 68 Cb 0.69 0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.99 1wg4 h ARG 68 CO -0.39 -0.09 -0.28 1.63 0.56 0.00 0.00 179.97 181.40 1wg4 n LYS 69 N -2.75 -0.21 0.34 0.04 4.01 0.24 -1.16 118.16 118.67 1wg4 n LYS 69 Ca -0.02 0.98 -0.13 0.00 -0.51 0.00 0.00 58.31 58.63 1wg4 n LYS 69 Cb 0.06 -1.45 -0.06 0.00 -0.51 0.00 0.00 35.03 33.06 1wg4 n LYS 69 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1wg4 h LEU 70 N 0.00 -0.74 0.00 -0.35 3.38 -0.05 -3.46 115.31 114.08 1wg4 h LEU 70 Ca 0.08 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1wg4 h LEU 70 Cb 0.19 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1wg4 h LEU 70 CO -0.44 -0.47 0.00 -0.67 0.09 0.00 0.00 178.44 176.94 1wg4 n ASP 71 N -4.66 0.00 -2.17 -0.43 2.03 0.21 -3.59 116.55 107.94 1wg4 n ASP 71 Ca -0.11 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.17 1wg4 n ASP 71 Cb 0.34 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.72 1wg4 n ASP 71 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1wg4 n ASP 72 N 1.17 -1.43 -4.28 1.67 2.03 -1.17 -4.85 116.55 109.69 1wg4 n ASP 72 Ca 0.00 0.90 -0.15 0.00 0.52 0.00 0.00 54.79 56.06 1wg4 n ASP 72 Cb 0.00 -3.75 -0.10 0.00 -0.72 0.00 0.00 41.12 36.55 1wg4 n ASP 72 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1wg4 s THR 73 N -0.42 0.53 -0.61 5.18 -4.23 0.14 -4.92 115.64 111.31 1wg4 s THR 73 Ca -0.17 -1.99 -0.17 0.00 -1.18 0.00 0.00 61.69 58.17 1wg4 s THR 73 Cb 0.01 -2.44 0.12 0.00 1.34 0.00 0.00 72.50 71.53 1wg4 s THR 73 CO 0.47 -0.17 0.65 -0.75 -0.54 0.00 0.00 174.62 174.28 1wg4 s LYS 74 N -4.01 3.09 -0.05 3.99 2.20 -1.26 -0.22 119.74 123.49 1wg4 s LYS 74 Ca 0.33 -1.58 -0.21 0.00 -0.36 0.00 0.00 55.97 54.15 1wg4 s LYS 74 Cb 0.07 -4.32 -0.05 0.00 -1.51 0.00 0.00 37.83 32.03 1wg4 s LYS 74 CO 0.10 -1.45 0.59 0.12 -0.36 0.00 0.00 175.35 174.35 1wg4 s PHE 75 N 2.07 3.61 -0.32 4.03 5.36 0.15 -4.85 117.98 128.02 1wg4 s PHE 75 Ca 0.10 1.13 -0.11 0.00 -0.96 0.00 0.00 56.93 57.08 1wg4 s PHE 75 Cb -0.24 -2.64 -0.01 0.00 -0.34 0.00 0.00 43.02 39.78 1wg4 s PHE 75 CO 0.03 0.23 0.19 0.50 -1.46 0.00 0.00 175.22 174.72 1wg4 s ARG 76 N 0.29 3.41 1.02 10.12 3.52 -1.26 -0.39 118.95 135.65 1wg4 s ARG 76 Ca 0.31 -0.68 -0.12 0.00 -0.13 0.00 0.00 55.73 55.11 1wg4 s ARG 76 Cb -0.17 -3.67 0.20 0.00 -1.56 0.00 0.00 34.95 29.75 1wg4 s ARG 76 CO 0.16 -0.43 1.08 -1.54 -0.81 0.00 0.00 175.30 173.76 1wg4 s SER 77 N 1.66 2.36 0.12 -2.12 1.04 0.52 -4.85 113.70 112.43 1wg4 s SER 77 Ca 0.05 1.36 0.17 0.00 0.48 0.00 0.00 55.95 58.01 1wg4 s SER 77 Cb -0.17 -2.05 0.73 0.00 0.10 0.00 0.00 66.02 64.63 1wg4 s SER 77 CO 0.08 -3.32 1.52 1.57 0.98 0.00 0.00 173.24 174.07 1wg4 n HIS 78 N -4.32 0.36 0.45 5.02 -0.00 -1.26 -0.89 115.22 114.57 1wg4 n HIS 78 Ca 0.05 0.15 0.11 0.00 0.46 0.00 0.00 57.72 58.49 1wg4 n HIS 78 Cb 0.56 -0.74 0.26 0.00 -0.12 0.00 0.00 29.99 29.95 1wg4 n HIS 78 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1wg4 n GLU 79 N -1.83 2.35 0.00 1.57 -0.58 -1.26 -4.93 120.64 115.95 1wg4 n GLU 79 Ca 0.02 -2.05 0.00 0.00 -0.42 0.00 0.00 57.16 54.71 1wg4 n GLU 79 Cb 0.16 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 1wg4 n GLU 79 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wg4 n GLY 80 N 1.43 2.26 3.68 0.62 0.00 -0.07 -4.98 105.19 108.13 1wg4 n GLY 80 Ca 0.19 -0.32 -0.55 0.00 0.00 0.00 0.00 46.02 45.34 1wg4 n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wg4 n GLU 81 N 0.00 1.27 -3.88 1.61 1.02 -1.26 -4.30 120.64 115.10 1wg4 n GLU 81 Ca 0.00 0.46 -0.25 0.00 -0.02 0.00 0.00 57.16 57.35 1wg4 n GLU 81 Cb 0.00 -2.15 -0.03 0.00 -0.02 0.00 0.00 31.44 29.24 1wg4 n GLU 81 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1wg4 s THR 82 N 2.84 5.28 0.13 2.62 -4.23 -1.26 -0.36 115.64 120.67 1wg4 s THR 82 Ca 0.94 -0.66 -0.18 0.00 -1.18 0.00 0.00 61.69 60.61 1wg4 s THR 82 Cb -1.00 -3.76 0.05 0.00 1.34 0.00 0.00 72.50 69.12 1wg4 s THR 82 CO 0.60 -0.17 0.46 -0.44 -0.54 0.00 0.00 174.62 174.53 1wg4 s SER 83 N -3.37 -0.34 -0.38 3.99 0.01 0.47 -4.96 113.70 109.12 1wg4 s SER 83 Ca 0.35 -0.20 -0.20 0.00 1.31 0.00 0.00 55.95 57.22 1wg4 s SER 83 Cb -0.11 0.51 0.01 0.00 0.21 0.00 0.00 66.02 66.64 1wg4 s SER 83 CO 0.29 -0.87 0.59 -0.47 0.41 0.00 0.00 173.24 173.19 1wg4 s TYR 84 N -3.69 3.14 -0.14 2.43 5.04 -1.26 0.29 117.35 123.16 1wg4 s TYR 84 Ca 0.02 0.16 -0.03 0.00 -2.44 0.00 0.00 57.07 54.77 1wg4 s TYR 84 Cb 0.01 -3.12 -0.03 0.00 0.35 0.00 0.00 41.96 39.17 1wg4 s TYR 84 CO -0.12 -0.67 -0.02 0.96 -1.34 0.00 0.00 175.55 174.37 1wg4 s ILE 85 N 2.62 4.08 0.17 3.14 -4.36 0.70 -4.45 121.20 123.11 1wg4 s ILE 85 Ca 0.22 -0.30 0.00 0.00 -0.26 0.00 0.00 60.65 60.31 1wg4 s ILE 85 Cb -0.15 -2.77 -0.04 0.00 1.25 0.00 0.00 42.46 40.75 1wg4 s ILE 85 CO 0.15 0.52 0.34 -0.13 0.24 0.00 0.00 174.94 176.07 1wg4 s ARG 86 N 0.01 3.49 -0.12 0.37 1.81 -0.30 0.26 118.95 124.47 1wg4 s ARG 86 Ca 0.02 -0.41 0.01 0.00 -1.72 0.00 0.00 55.73 53.62 1wg4 s ARG 86 Cb -0.13 -2.89 0.02 0.00 -0.45 0.00 0.00 34.95 31.49 1wg4 s ARG 86 CO 0.02 0.45 -0.15 0.08 -0.68 0.00 0.00 175.30 175.03 1wg4 s VAL 87 N -1.80 1.52 0.07 3.52 1.01 -1.26 -2.83 120.40 120.64 1wg4 s VAL 87 Ca 0.37 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 1wg4 s VAL 87 Cb -0.11 -1.41 0.04 0.00 0.00 0.00 0.00 36.38 34.90 1wg4 s VAL 87 CO 0.29 0.45 0.40 -0.72 0.00 0.00 0.00 175.10 175.52 1wg4 s TYR 88 N 1.18 -0.24 1.01 5.22 1.13 -1.15 -4.56 117.35 119.93 1wg4 s TYR 88 Ca -0.02 0.10 -0.15 0.00 -1.41 0.00 0.00 57.07 55.59 1wg4 s TYR 88 Cb -0.14 0.23 0.20 0.00 -1.10 0.00 0.00 41.96 41.14 1wg4 s TYR 88 CO -0.05 -0.61 1.18 -1.25 -2.51 0.00 0.00 175.55 172.31 1wg4 s PRO 89 N -2.93 0.34 0.23 -3.49 0.04 -1.26 -0.09 135.00 127.84 1wg4 s PRO 89 Ca -0.02 -0.02 -0.02 0.00 0.04 0.00 0.00 61.00 60.98 1wg4 s PRO 89 Cb 0.00 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.72 1wg4 s PRO 89 CO -0.06 -2.68 0.45 -2.00 0.04 0.00 0.00 177.00 172.75 1wg4 s GLU 90 N -5.50 3.56 -0.07 4.56 -6.30 -1.26 -4.72 118.70 108.98 1wg4 s GLU 90 Ca 0.69 -0.22 0.05 0.00 -2.50 0.00 0.00 54.97 52.98 1wg4 s GLU 90 Cb -0.10 -2.77 -0.01 0.00 0.00 0.00 0.00 34.13 31.24 1wg4 s GLU 90 CO 0.54 0.33 -0.22 -0.98 0.02 0.00 0.00 175.26 174.95 1wg4 s ARG 91 N -3.41 2.66 0.08 4.30 1.70 -1.26 -5.10 118.95 117.92 1wg4 s ARG 91 Ca 0.40 -0.85 -0.25 0.00 -0.47 0.00 0.00 55.73 54.56 1wg4 s ARG 91 Cb -0.11 -2.26 0.09 0.00 -0.57 0.00 0.00 34.95 32.10 1wg4 s ARG 91 CO 0.29 0.39 1.17 0.45 -1.08 0.00 0.00 175.30 176.52 1wg4 s SER 92 N -0.18 0.01 0.15 -2.89 0.15 -1.26 -5.19 113.70 104.49 1wg4 s SER 92 Ca -0.02 -0.43 -0.25 0.00 0.70 0.00 0.00 55.95 55.95 1wg4 s SER 92 Cb -0.14 0.32 0.06 0.00 -1.71 0.00 0.00 66.02 64.55 1wg4 s SER 92 CO 0.04 -0.63 0.86 -0.55 1.20 0.00 0.00 173.24 174.15 1wg4 s SER 93 N -3.61 -0.27 0.00 5.45 0.15 -1.26 -5.16 113.70 109.00 1wg4 s SER 93 Ca 0.26 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1wg4 s SER 93 Cb -0.01 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1wg4 s SER 93 CO 0.02 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.11 1wg4 n GLY 94 N -0.42 1.09 0.09 9.45 0.00 -1.26 -5.06 105.19 109.07 1wg4 n GLY 94 Ca -0.07 0.51 -0.14 0.00 0.00 0.00 0.00 46.02 46.32 1wg4 n GLY 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg4 h PRO 95 N 0.00 0.12 -5.00 1.61 0.13 -2.11 -3.49 132.00 123.26 1wg4 h PRO 95 Ca 0.00 -0.12 0.01 0.00 -0.87 0.00 0.00 66.00 65.02 1wg4 h PRO 95 Cb 0.00 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 31.08 1wg4 h PRO 95 CO 0.00 0.84 -1.25 0.43 -0.23 0.00 0.00 178.00 177.79 1wg4 n SER 96 N -4.59 -3.40 -4.18 1.44 7.64 -1.26 -5.05 113.62 104.21 1wg4 n SER 96 Ca -0.09 1.45 -0.15 0.00 1.01 0.00 0.00 58.87 61.09 1wg4 n SER 96 Cb 0.44 -4.81 -0.11 0.00 -1.01 0.00 0.00 64.21 58.72 1wg4 n SER 96 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wg4 s SER 97 N -0.57 1.49 0.00 6.43 0.15 -1.26 -5.35 113.70 114.59 1wg4 s SER 97 Ca -0.18 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.67 1wg4 s SER 97 Cb 0.01 0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1wg4 s SER 97 CO 0.49 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.29