#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg4 s SER 2 N 0.00 3.75 -0.20 1.61 0.01 -1.26 -5.05 113.70 112.56 1wg4 s SER 2 Ca 0.00 1.61 -0.02 0.00 1.31 0.00 0.00 55.95 58.85 1wg4 s SER 2 Cb 0.00 -2.29 0.06 0.00 0.21 0.00 0.00 66.02 64.00 1wg4 s SER 2 CO 0.00 -2.48 0.02 -0.94 0.41 0.00 0.00 173.24 170.25 1wg4 s SER 3 N -3.38 3.08 -0.37 2.44 1.04 -1.26 -5.00 113.70 110.25 1wg4 s SER 3 Ca 0.63 -0.88 0.01 0.00 0.48 0.00 0.00 55.95 56.19 1wg4 s SER 3 Cb -0.18 -0.71 0.28 0.00 0.10 0.00 0.00 66.02 65.52 1wg4 s SER 3 CO 0.57 -0.29 1.20 0.61 0.98 0.00 0.00 173.24 176.30 1wg4 n GLY 4 N 4.98 -1.13 1.56 7.32 0.00 -1.26 -5.04 105.19 111.62 1wg4 n GLY 4 Ca -0.09 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1wg4 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wg4 n SER 5 N 1.21 0.37 -4.67 1.61 2.88 -1.26 -5.05 113.62 108.71 1wg4 n SER 5 Ca 0.02 0.31 -0.47 0.00 -1.33 0.00 0.00 58.87 57.40 1wg4 n SER 5 Cb 0.70 0.07 -0.04 0.00 -0.75 0.00 0.00 64.21 64.19 1wg4 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wg4 n SER 6 N -3.43 3.21 0.00 -3.46 7.64 -1.26 -4.36 113.62 111.95 1wg4 n SER 6 Ca 0.00 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.92 1wg4 n SER 6 Cb 0.02 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 61.82 1wg4 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg4 n GLY 7 N 3.81 -1.47 1.44 0.23 0.00 -1.26 -5.16 105.19 102.79 1wg4 n GLY 7 Ca 0.19 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 -4.35 3.80 -0.02 0.00 -1.26 -4.95 105.19 98.40 1wg4 n GLY 8 Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 -4.30 1.74 -0.01 1.61 0.04 -1.26 -4.99 135.00 127.83 1wg4 s PRO 9 Ca 0.00 0.51 -0.30 0.00 0.04 0.00 0.00 61.00 61.25 1wg4 s PRO 9 Cb 0.00 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1wg4 s PRO 9 CO 0.00 -1.83 1.20 -1.25 0.04 0.00 0.00 177.00 175.16 1wg4 s PRO 10 N -5.20 4.39 -0.02 0.56 0.04 -1.26 -5.03 135.00 128.48 1wg4 s PRO 10 Ca 0.62 1.71 -0.01 0.00 0.04 0.00 0.00 61.00 63.36 1wg4 s PRO 10 Cb -0.15 -3.48 -0.04 0.00 0.04 0.00 0.00 34.50 30.88 1wg4 s PRO 10 CO 0.54 -0.36 0.06 0.99 0.04 0.00 0.00 177.00 178.27 1wg4 s THR 11 N 1.75 4.64 -0.55 1.26 2.01 -1.26 -5.07 115.64 118.41 1wg4 s THR 11 Ca 0.57 -0.37 0.04 0.00 0.31 0.00 0.00 61.69 62.24 1wg4 s THR 11 Cb -0.27 -3.08 0.15 0.00 0.01 0.00 0.00 72.50 69.31 1wg4 s THR 11 CO 0.25 0.41 0.33 -0.13 -0.69 0.00 0.00 174.62 174.79 1wg4 s ARG 12 N -1.54 1.91 0.57 4.92 0.52 -1.26 -4.92 118.95 119.15 1wg4 s ARG 12 Ca 0.20 -2.68 0.38 0.00 -0.52 0.00 0.00 55.73 53.11 1wg4 s ARG 12 Cb -0.12 -3.01 2.00 0.00 0.52 0.00 0.00 34.95 34.34 1wg4 s ARG 12 CO 0.11 -1.20 2.16 0.00 0.02 0.00 0.00 175.30 176.39 1wg4 h ARG 13 N 6.14 0.00 0.00 3.54 3.08 -2.00 -3.40 114.38 121.75 1wg4 h ARG 13 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1wg4 h ARG 13 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1wg4 h ARG 13 CO 0.63 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.96 1wg4 n SER 14 N -2.87 0.00 0.00 7.04 7.64 -1.26 -5.11 113.62 119.06 1wg4 n SER 14 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1wg4 n SER 14 Cb 0.09 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1wg4 n SER 14 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1wg4 n ASP 15 N 0.00 0.00 -4.58 6.43 -0.08 -1.26 -5.10 116.55 111.96 1wg4 n ASP 15 Ca 0.00 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.85 1wg4 n ASP 15 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 1wg4 n ASP 15 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1wg4 s PHE 16 N 0.00 2.86 0.34 -0.67 0.08 -1.26 -4.99 117.98 114.34 1wg4 s PHE 16 Ca 0.00 0.56 0.05 0.00 0.12 0.00 0.00 56.93 57.66 1wg4 s PHE 16 Cb 0.00 -4.22 -0.03 0.00 -0.57 0.00 0.00 43.02 38.20 1wg4 s PHE 16 CO 0.00 -1.19 0.20 -0.98 -0.10 0.00 0.00 175.22 173.14 1wg4 s ARG 17 N 4.13 1.72 -0.06 0.44 1.70 -1.26 -0.46 118.95 125.16 1wg4 s ARG 17 Ca 0.43 -2.01 -0.00 0.00 -0.47 0.00 0.00 55.73 53.68 1wg4 s ARG 17 Cb -0.08 -0.04 0.03 0.00 -0.57 0.00 0.00 34.95 34.28 1wg4 s ARG 17 CO 0.29 -0.53 -0.02 0.14 -1.08 0.00 0.00 175.30 174.10 1wg4 s VAL 18 N -3.47 0.45 -0.23 4.99 -7.23 0.69 -4.65 120.40 110.94 1wg4 s VAL 18 Ca 0.35 0.02 -0.23 0.00 -1.81 0.00 0.00 61.98 60.30 1wg4 s VAL 18 Cb 0.03 -0.55 -0.01 0.00 0.56 0.00 0.00 36.38 36.41 1wg4 s VAL 18 CO 0.20 0.25 0.77 -0.76 -0.31 0.00 0.00 175.10 175.25 1wg4 s LEU 19 N 1.54 4.09 -0.09 1.32 1.43 0.50 -2.61 118.68 124.86 1wg4 s LEU 19 Ca -0.01 0.97 -0.02 0.00 -1.03 0.00 0.00 54.13 54.04 1wg4 s LEU 19 Cb -0.13 -3.10 -0.03 0.00 0.03 0.00 0.00 46.19 42.96 1wg4 s LEU 19 CO -0.03 -0.45 -0.02 -0.69 0.23 0.00 0.00 176.35 175.39 1wg4 s VAL 20 N 2.61 4.13 -0.13 -1.59 1.01 -0.92 -1.95 120.40 123.56 1wg4 s VAL 20 Ca 0.33 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.94 1wg4 s VAL 20 Cb -0.15 -2.74 0.05 0.00 0.00 0.00 0.00 36.38 33.54 1wg4 s VAL 20 CO 0.08 0.59 0.31 -0.94 0.00 0.00 0.00 175.10 175.14 1wg4 s SER 21 N -0.67 -0.28 0.00 3.32 1.04 -1.21 -0.04 113.70 115.86 1wg4 s SER 21 Ca 0.10 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.20 1wg4 s SER 21 Cb -0.12 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1wg4 s SER 21 CO 0.02 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.67 1wg4 n GLY 22 N 4.40 0.28 3.17 7.32 0.00 0.61 -2.74 105.19 118.23 1wg4 n GLY 22 Ca -0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 1wg4 n GLY 22 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wg4 n LEU 23 N 0.00 -4.19 -4.77 0.99 7.99 0.10 -4.54 117.00 112.57 1wg4 n LEU 23 Ca 0.00 0.46 -0.29 0.00 -0.01 0.00 0.00 56.01 56.17 1wg4 n LEU 23 Cb 0.00 -0.85 0.18 0.00 -0.11 0.00 0.00 43.42 42.65 1wg4 n LEU 23 CO 0.00 -5.13 0.74 -2.16 -1.51 0.00 0.00 177.39 169.32 1wg4 s PRO 24 N -1.56 0.26 0.45 3.23 0.04 -1.26 -4.44 135.00 131.72 1wg4 s PRO 24 Ca 0.51 -0.04 0.28 0.00 0.04 0.00 0.00 61.00 61.79 1wg4 s PRO 24 Cb -0.36 -1.77 0.88 0.00 0.04 0.00 0.00 34.50 33.29 1wg4 s PRO 24 CO 0.72 -2.73 1.79 -1.00 0.04 0.00 0.00 177.00 175.82 1wg4 h PRO 25 N -1.88 0.00 0.00 0.56 0.13 -1.92 -3.02 132.00 125.88 1wg4 h PRO 25 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wg4 h PRO 25 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1wg4 h PRO 25 CO 0.46 0.00 -0.00 0.43 -0.23 0.00 0.00 178.00 178.65 1wg4 n SER 26 N -2.95 1.99 -4.53 1.44 7.64 -1.26 -5.06 113.62 110.89 1wg4 n SER 26 Ca 0.03 -2.19 -0.31 0.00 1.01 0.00 0.00 58.87 57.41 1wg4 n SER 26 Cb 0.40 -0.09 0.18 0.00 -1.01 0.00 0.00 64.21 63.69 1wg4 n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg4 n GLY 27 N -0.67 -1.34 3.06 0.23 0.00 -1.14 -4.34 105.19 100.98 1wg4 n GLY 27 Ca 0.03 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.36 0.08 0.17 1.61 0.01 -1.26 -4.95 113.70 107.01 1wg4 s SER 28 Ca 0.64 -0.26 -0.10 0.00 1.31 0.00 0.00 55.95 57.54 1wg4 s SER 28 Cb -0.22 0.17 0.07 0.00 0.21 0.00 0.00 66.02 66.25 1wg4 s SER 28 CO 0.63 -0.32 1.66 4.11 0.41 0.00 0.00 173.24 179.73 1wg4 h TRP 29 N 4.54 1.08 0.00 2.43 5.08 -1.92 0.66 115.95 127.83 1wg4 h TRP 29 Ca -0.31 -0.16 0.00 0.00 1.08 0.00 0.00 58.89 59.51 1wg4 h TRP 29 Cb 1.20 -0.29 -0.01 0.00 -3.00 0.00 0.00 29.16 27.06 1wg4 h TRP 29 CO 0.60 0.94 -0.07 0.37 -1.28 0.00 0.00 178.44 179.00 1wg4 h GLN 30 N 0.91 -0.08 -0.69 0.12 4.15 -1.95 0.91 115.11 118.48 1wg4 h GLN 30 Ca 0.18 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.69 1wg4 h GLN 30 Cb 0.45 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.10 1wg4 h GLN 30 CO 0.02 -0.06 0.35 0.22 -1.93 0.00 0.00 178.83 177.43 1wg4 h ASP 31 N -0.09 0.48 -0.50 -0.69 1.82 -1.93 -0.82 116.42 114.69 1wg4 h ASP 31 Ca 0.00 0.05 0.10 0.00 -0.39 0.00 0.00 57.03 56.79 1wg4 h ASP 31 Cb 0.09 -0.03 -0.09 0.00 0.68 0.00 0.00 39.33 39.98 1wg4 h ASP 31 CO -0.04 0.29 -0.08 0.25 -1.61 0.00 0.00 179.24 178.04 1wg4 h LEU 32 N 0.62 -0.37 0.76 2.28 6.46 -0.26 -1.12 115.31 123.67 1wg4 h LEU 32 Ca 0.33 0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 58.20 1wg4 h LEU 32 Cb 0.31 0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1wg4 h LEU 32 CO -0.24 -0.13 -0.48 0.50 -0.62 0.00 0.00 178.44 177.47 1wg4 h LYS 33 N 0.04 -1.12 -1.84 1.25 3.64 0.22 0.32 116.57 119.08 1wg4 h LYS 33 Ca 0.24 0.08 0.53 0.00 -1.27 0.00 0.00 60.65 60.23 1wg4 h LYS 33 Cb 0.37 0.25 -0.07 0.00 -0.41 0.00 0.00 32.23 32.37 1wg4 h LYS 33 CO -0.48 -0.75 1.39 0.22 -2.27 0.00 0.00 179.45 177.57 1wg4 h ASP 34 N -1.16 0.00 0.00 4.20 1.82 -0.54 0.97 116.42 121.71 1wg4 h ASP 34 Ca -0.10 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 1wg4 h ASP 34 Cb 0.93 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.94 1wg4 h ASP 34 CO 0.09 0.00 -0.07 -0.74 -1.61 0.00 0.00 179.24 176.91 1wg4 h HIS 35 N 0.00 0.00 -1.02 0.28 2.76 0.08 -3.36 115.15 113.88 1wg4 h HIS 35 Ca 0.88 0.00 0.29 0.00 -2.20 0.00 0.00 60.37 59.34 1wg4 h HIS 35 Cb 3.64 0.00 -0.13 0.00 1.55 0.00 0.00 27.41 32.47 1wg4 h HIS 35 CO 0.00 0.00 0.61 0.52 -1.30 0.00 0.00 177.93 177.76 1wg4 h MET 36 N -0.54 0.42 -0.79 5.26 2.86 0.25 0.55 114.93 122.94 1wg4 h MET 36 Ca 0.00 -0.02 0.23 0.00 -2.06 0.00 0.00 59.70 57.84 1wg4 h MET 36 Cb 0.07 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 1wg4 h MET 36 CO 0.00 0.27 0.99 0.00 1.06 0.00 0.00 176.91 179.23 1wg4 h ARG 37 N 0.43 0.00 -0.59 1.72 2.47 0.66 -1.39 114.38 117.67 1wg4 h ARG 37 Ca 0.69 0.00 0.24 0.00 -1.26 0.00 0.00 59.98 59.65 1wg4 h ARG 37 Cb 1.52 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 29.73 1wg4 h ARG 37 CO -0.51 0.00 0.29 0.39 0.56 0.00 0.00 179.97 180.71 1wg4 n GLU 38 N -3.31 -0.04 0.00 0.04 4.71 0.19 -0.60 120.64 121.64 1wg4 n GLU 38 Ca 0.17 0.82 0.00 0.00 -0.01 0.00 0.00 57.16 58.14 1wg4 n GLU 38 Cb 1.24 -1.45 0.00 0.00 -1.01 0.00 0.00 31.44 30.21 1wg4 n GLU 38 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wg4 n ALA 39 N -2.63 -0.06 -2.26 0.62 0.00 -0.53 -4.96 120.51 110.69 1wg4 n ALA 39 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1wg4 n ALA 39 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 0.10 3.73 3.65 0.00 0.00 0.24 -4.92 105.19 108.00 1wg4 n GLY 40 Ca 0.00 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 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 1.46 6.16 -0.24 1.61 -1.08 -1.26 -4.63 116.67 118.68 1wg4 s ASP 41 Ca 0.00 0.17 -0.18 0.00 -0.52 0.00 0.00 52.55 52.02 1wg4 s ASP 41 Cb 0.00 -2.13 -0.03 0.00 -1.46 0.00 0.00 42.92 39.30 1wg4 s ASP 41 CO 0.00 0.02 0.50 -0.69 0.52 0.00 0.00 175.17 175.53 1wg4 s VAL 42 N 1.20 5.09 -0.04 1.11 1.01 -1.26 -3.71 120.40 123.80 1wg4 s VAL 42 Ca 0.10 0.88 0.13 0.00 0.00 0.00 0.00 61.98 63.08 1wg4 s VAL 42 Cb -0.14 -3.82 -0.21 0.00 0.00 0.00 0.00 36.38 32.21 1wg4 s VAL 42 CO 0.06 0.12 0.78 0.00 0.00 0.00 0.00 175.10 176.06 1wg4 s TYR 44 N -2.66 0.79 -0.19 0.00 6.14 -1.21 -4.98 117.35 115.24 1wg4 s TYR 44 Ca -0.03 -0.20 -0.09 0.00 0.64 0.00 0.00 57.07 57.39 1wg4 s TYR 44 Cb 0.08 -0.61 0.07 0.00 0.42 0.00 0.00 41.96 41.93 1wg4 s TYR 44 CO 0.82 -0.12 0.43 0.00 0.64 0.00 0.00 175.55 177.33 1wg4 s ALA 45 N 0.39 -1.13 0.32 3.97 0.00 -1.26 -2.08 121.76 121.97 1wg4 s ALA 45 Ca -0.05 1.58 -0.18 0.00 0.00 0.00 0.00 51.96 53.30 1wg4 s ALA 45 Cb -0.10 -1.09 0.03 0.00 0.00 0.00 0.00 23.12 21.97 1wg4 s ALA 45 CO 0.00 -0.43 0.72 0.34 0.00 0.00 0.00 175.76 176.39 1wg4 s ASP 46 N 1.81 -0.13 -0.02 0.00 2.15 -1.12 -4.88 116.67 114.47 1wg4 s ASP 46 Ca -0.07 -0.84 -0.02 0.00 0.43 0.00 0.00 52.55 52.05 1wg4 s ASP 46 Cb -0.09 0.76 0.01 0.00 -0.30 0.00 0.00 42.92 43.30 1wg4 s ASP 46 CO -0.13 -1.45 0.06 0.54 -0.17 0.00 0.00 175.17 174.01 1wg4 s VAL 47 N -3.35 -0.00 0.30 1.11 0.11 -1.26 -2.65 120.40 114.65 1wg4 s VAL 47 Ca 0.14 0.01 0.07 0.00 -2.93 0.00 0.00 61.98 59.27 1wg4 s VAL 47 Cb -0.05 -0.09 -0.03 0.00 -1.53 0.00 0.00 36.38 34.67 1wg4 s VAL 47 CO 0.09 0.01 0.26 -1.10 -3.33 0.00 0.00 175.10 171.03 1wg4 s GLN 48 N 0.11 2.86 1.26 1.54 -0.21 0.35 -4.92 119.66 120.64 1wg4 s GLN 48 Ca -0.01 -1.15 -0.18 0.00 0.02 0.00 0.00 55.36 54.04 1wg4 s GLN 48 Cb -0.01 -2.55 0.28 0.00 1.00 0.00 0.00 33.01 31.73 1wg4 s GLN 48 CO -0.00 0.24 0.71 0.36 -2.12 0.00 0.00 175.29 174.47 1wg4 n LYS 49 N -1.31 -3.16 0.00 2.91 2.85 -1.26 -2.21 118.16 115.98 1wg4 n LYS 49 Ca -0.05 -0.92 0.00 0.00 -1.05 0.00 0.00 58.31 56.30 1wg4 n LYS 49 Cb 0.59 -1.92 0.00 0.00 -0.65 0.00 0.00 35.03 33.05 1wg4 n LYS 49 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1wg4 n ASP 50 N -4.27 0.00 0.00 -5.58 2.03 -1.26 -2.90 116.55 104.57 1wg4 n ASP 50 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1wg4 n ASP 50 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 1wg4 n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wg4 n GLY 51 N 0.00 0.00 3.73 0.27 0.00 -1.19 -4.82 105.19 103.19 1wg4 n GLY 51 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 2.42 0.23 1.61 -1.94 -0.94 0.22 119.30 120.90 1wg4 s MET 52 Ca 0.00 -1.48 -0.20 0.00 -1.71 0.00 0.00 55.69 52.30 1wg4 s MET 52 Cb 0.00 -2.22 0.03 0.00 2.01 0.00 0.00 34.83 34.65 1wg4 s MET 52 CO 0.00 0.17 0.63 0.20 -0.01 0.00 0.00 175.02 176.01 1wg4 s GLY 53 N -3.83 -0.15 -0.23 -0.03 0.00 0.94 0.13 107.32 104.15 1wg4 s GLY 53 Ca 0.37 -0.17 -0.09 0.00 0.00 0.00 0.00 44.72 44.83 1wg4 s GLY 53 CO 0.23 -0.12 0.50 -0.29 0.00 0.00 0.00 173.10 173.42 1wg4 s MET 54 N -3.88 0.42 -0.04 2.90 1.75 -1.09 -2.17 119.30 117.20 1wg4 s MET 54 Ca 0.09 1.14 0.03 0.00 -1.25 0.00 0.00 55.69 55.71 1wg4 s MET 54 Cb -0.03 0.44 0.00 0.00 2.84 0.00 0.00 34.83 38.08 1wg4 s MET 54 CO 0.01 -0.22 -0.13 0.14 -0.65 0.00 0.00 175.02 174.17 1wg4 s VAL 55 N 2.52 1.11 -0.15 10.11 -7.23 -1.07 -2.79 120.40 122.88 1wg4 s VAL 55 Ca -0.04 -0.53 -0.01 0.00 -1.81 0.00 0.00 61.98 59.58 1wg4 s VAL 55 Cb -0.11 -0.97 -0.01 0.00 0.56 0.00 0.00 36.38 35.84 1wg4 s VAL 55 CO -0.15 0.33 -0.10 -1.61 -0.31 0.00 0.00 175.10 173.26 1wg4 s GLU 56 N 0.16 3.42 0.19 4.82 2.02 -0.88 -0.22 118.70 128.21 1wg4 s GLU 56 Ca -0.04 -0.65 -0.01 0.00 0.02 0.00 0.00 54.97 54.28 1wg4 s GLU 56 Cb -0.11 -2.75 -0.04 0.00 0.10 0.00 0.00 34.13 31.33 1wg4 s GLU 56 CO 0.01 0.12 0.39 0.71 0.02 0.00 0.00 175.26 176.51 1wg4 s TYR 57 N 0.61 3.48 -0.05 1.61 2.02 0.39 -2.17 117.35 123.25 1wg4 s TYR 57 Ca -0.06 0.38 0.13 0.00 -0.37 0.00 0.00 57.07 57.15 1wg4 s TYR 57 Cb -0.15 -1.88 -0.12 0.00 -0.40 0.00 0.00 41.96 39.41 1wg4 s TYR 57 CO 0.03 0.38 1.07 -0.07 -1.57 0.00 0.00 175.55 175.39 1wg4 h LEU 58 N 2.13 0.00 -9.08 -1.29 3.38 -1.82 -3.40 115.31 105.23 1wg4 h LEU 58 Ca -0.48 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 56.81 1wg4 h LEU 58 Cb 1.19 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.75 1wg4 h LEU 58 CO 0.69 0.75 -0.69 -0.13 0.09 0.00 0.00 178.44 179.15 1wg4 s ARG 59 N -2.81 2.87 0.08 1.13 1.81 -1.26 -5.00 118.95 115.76 1wg4 s ARG 59 Ca -0.00 -0.54 -0.31 0.00 -1.72 0.00 0.00 55.73 53.16 1wg4 s ARG 59 Cb 0.09 -2.64 -0.16 0.00 -0.45 0.00 0.00 34.95 31.78 1wg4 s ARG 59 CO 0.80 0.62 1.63 -0.22 -0.68 0.00 0.00 175.30 177.45 1wg4 h LYS 60 N 5.41 -0.72 -0.71 3.54 3.64 -1.93 -2.79 116.57 123.02 1wg4 h LYS 60 Ca -0.47 0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.08 1wg4 h LYS 60 Cb 1.18 0.16 -0.13 0.00 -0.41 0.00 0.00 32.23 33.03 1wg4 h LYS 60 CO 0.54 -0.48 -0.36 1.49 -2.27 0.00 0.00 179.45 178.37 1wg4 h GLU 61 N -0.75 -0.12 -0.91 1.90 4.81 -1.99 0.41 114.58 117.94 1wg4 h GLU 61 Ca -0.06 0.01 0.20 0.00 -0.13 0.00 0.00 59.36 59.39 1wg4 h GLU 61 Cb 0.61 0.03 -0.17 0.00 0.63 0.00 0.00 28.75 29.85 1wg4 h GLU 61 CO 0.06 -0.08 -0.12 -0.44 -0.73 0.00 0.00 179.01 177.70 1wg4 h ASP 62 N -0.12 -0.67 0.07 1.04 5.19 -1.85 1.45 116.42 121.53 1wg4 h ASP 62 Ca 0.26 0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.93 1wg4 h ASP 62 Cb 0.56 0.51 -0.01 0.00 0.18 0.00 0.00 39.33 40.57 1wg4 h ASP 62 CO -0.77 -0.30 -0.14 -0.03 -3.12 0.00 0.00 179.24 174.89 1wg4 h MET 63 N 0.02 -0.22 -0.68 3.56 4.05 0.00 0.23 114.93 121.90 1wg4 h MET 63 Ca 0.48 0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.99 1wg4 h MET 63 Cb 0.83 0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 31.61 1wg4 h MET 63 CO -0.89 -0.15 0.34 0.93 0.23 0.00 0.00 176.91 177.37 1wg4 h GLU 64 N -0.23 0.58 0.02 0.39 5.08 -0.81 0.39 114.58 120.00 1wg4 h GLU 64 Ca -0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1wg4 h GLU 64 Cb 0.22 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1wg4 h GLU 64 CO -0.05 0.38 -0.16 -0.92 -1.00 0.00 0.00 179.01 177.26 1wg4 h TYR 65 N 0.60 -0.48 -0.87 4.33 5.03 0.23 0.26 116.97 126.07 1wg4 h TYR 65 Ca 0.32 0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.72 1wg4 h TYR 65 Cb 0.31 0.21 -0.06 0.00 1.55 0.00 0.00 36.73 38.74 1wg4 h TYR 65 CO -0.11 -0.18 0.56 0.00 -1.32 0.00 0.00 178.16 177.12 1wg4 h ALA 66 N -1.21 1.57 0.04 1.82 0.00 -0.36 0.66 119.26 121.78 1wg4 h ALA 66 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1wg4 h ALA 66 Cb 0.23 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1wg4 h ALA 66 CO -0.10 0.29 -0.50 -0.07 0.00 0.00 0.00 179.25 178.88 1wg4 h LEU 67 N 0.95 -1.51 0.16 0.00 3.38 0.63 0.49 115.31 119.41 1wg4 h LEU 67 Ca 0.38 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.51 1wg4 h LEU 67 Cb 0.24 0.57 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1wg4 h LEU 67 CO -0.14 -0.52 -0.08 0.03 0.09 0.00 0.00 178.44 177.82 1wg4 h ARG 68 N -0.67 -0.21 -0.64 1.13 2.47 0.08 0.63 114.38 117.17 1wg4 h ARG 68 Ca 0.02 0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.81 1wg4 h ARG 68 Cb 0.72 0.05 -0.08 0.00 -1.65 0.00 0.00 29.97 29.01 1wg4 h ARG 68 CO -0.32 -0.14 -0.38 1.63 0.56 0.00 0.00 179.97 181.32 1wg4 n LYS 69 N -3.27 -0.28 0.28 0.04 4.01 0.22 -1.31 118.16 117.85 1wg4 n LYS 69 Ca -0.03 1.10 -0.11 0.00 -0.51 0.00 0.00 58.31 58.76 1wg4 n LYS 69 Cb 0.08 -1.62 -0.05 0.00 -0.51 0.00 0.00 35.03 32.93 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 -0.62 0.00 -0.35 3.38 -0.14 -3.46 115.31 114.11 1wg4 h LEU 70 Ca 0.10 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1wg4 h LEU 70 Cb 0.26 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1wg4 h LEU 70 CO -0.60 -0.34 0.00 -0.67 0.09 0.00 0.00 178.44 176.92 1wg4 n ASP 71 N -4.52 0.00 -1.73 -0.43 2.03 0.22 -3.60 116.55 108.52 1wg4 n ASP 71 Ca -0.09 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.21 1wg4 n ASP 71 Cb 0.29 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.68 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 0.92 -2.42 -4.17 1.67 -0.08 -1.18 -4.85 116.55 106.44 1wg4 n ASP 72 Ca 0.00 0.51 -0.11 0.00 -1.51 0.00 0.00 54.79 53.68 1wg4 n ASP 72 Cb 0.00 -2.44 -0.10 0.00 2.34 0.00 0.00 41.12 40.92 1wg4 n ASP 72 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1wg4 s THR 73 N -0.22 0.05 -0.61 5.18 -4.23 -0.38 -4.93 115.64 110.50 1wg4 s THR 73 Ca -0.07 -1.95 -0.18 0.00 -1.18 0.00 0.00 61.69 58.31 1wg4 s THR 73 Cb 0.00 -2.28 0.12 0.00 1.34 0.00 0.00 72.50 71.68 1wg4 s THR 73 CO 0.18 -0.22 0.69 -0.75 -0.54 0.00 0.00 174.62 173.99 1wg4 s LYS 74 N -4.11 3.09 -0.25 3.99 2.20 -1.26 -1.52 119.74 121.89 1wg4 s LYS 74 Ca 0.32 -1.47 -0.22 0.00 -0.36 0.00 0.00 55.97 54.24 1wg4 s LYS 74 Cb 0.07 -4.31 -0.01 0.00 -1.51 0.00 0.00 37.83 32.07 1wg4 s LYS 74 CO 0.07 -1.51 0.73 0.12 -0.36 0.00 0.00 175.35 174.41 1wg4 s PHE 75 N 2.38 3.29 -0.43 4.03 5.36 -0.60 -4.86 117.98 127.15 1wg4 s PHE 75 Ca 0.11 0.98 -0.17 0.00 -0.96 0.00 0.00 56.93 56.88 1wg4 s PHE 75 Cb -0.24 -2.95 0.02 0.00 -0.34 0.00 0.00 43.02 39.52 1wg4 s PHE 75 CO 0.04 -0.37 0.45 0.50 -1.46 0.00 0.00 175.22 174.38 1wg4 s ARG 76 N 2.68 3.10 0.42 10.12 3.52 -1.26 -2.50 118.95 135.03 1wg4 s ARG 76 Ca 0.31 -0.77 -0.07 0.00 -0.13 0.00 0.00 55.73 55.07 1wg4 s ARG 76 Cb -0.15 -3.98 0.11 0.00 -1.56 0.00 0.00 34.95 29.37 1wg4 s ARG 76 CO 0.08 -0.88 0.32 -1.13 -0.81 0.00 0.00 175.30 172.88 1wg4 n SER 77 N 5.63 -1.91 0.01 -2.12 3.41 -0.27 -4.86 113.62 113.51 1wg4 n SER 77 Ca -0.07 -0.53 0.14 0.00 -0.26 0.00 0.00 58.87 58.15 1wg4 n SER 77 Cb 0.47 -0.32 0.53 0.00 -0.26 0.00 0.00 64.21 64.63 1wg4 n SER 77 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wg4 n HIS 78 N -3.52 0.13 0.81 7.33 -0.00 -1.26 -2.80 115.22 115.90 1wg4 n HIS 78 Ca 0.05 0.04 0.12 0.00 -0.00 0.00 0.00 57.72 57.92 1wg4 n HIS 78 Cb 0.19 -0.52 0.25 0.00 -0.00 0.00 0.00 29.99 29.91 1wg4 n HIS 78 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1wg4 n GLU 79 N -1.61 2.22 0.00 -1.40 -0.58 -1.26 -4.93 120.64 113.07 1wg4 n GLU 79 Ca 0.06 -1.81 0.00 0.00 -0.42 0.00 0.00 57.16 54.99 1wg4 n GLU 79 Cb 0.35 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 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 1.36 2.50 3.61 0.62 0.00 -1.12 -4.99 105.19 107.17 1wg4 n GLY 80 Ca 0.17 -0.14 -0.49 0.00 0.00 0.00 0.00 46.02 45.57 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 1.46 -4.39 1.61 1.02 -1.26 -4.46 120.64 114.63 1wg4 n GLU 81 Ca 0.00 0.52 -0.27 0.00 -0.02 0.00 0.00 57.16 57.39 1wg4 n GLU 81 Cb 0.00 -2.14 -0.11 0.00 -0.02 0.00 0.00 31.44 29.17 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 0.23 2.54 0.13 2.62 -4.23 -1.26 -1.12 115.64 114.56 1wg4 s THR 82 Ca 0.77 -1.90 -0.15 0.00 -1.18 0.00 0.00 61.69 59.24 1wg4 s THR 82 Cb -0.82 -2.22 0.03 0.00 1.34 0.00 0.00 72.50 70.83 1wg4 s THR 82 CO 0.48 -0.08 0.38 -0.44 -0.54 0.00 0.00 174.62 174.42 1wg4 s SER 83 N -2.61 -0.18 -0.52 3.99 0.01 -1.04 -4.96 113.70 108.40 1wg4 s SER 83 Ca 0.21 -0.41 -0.21 0.00 1.31 0.00 0.00 55.95 56.84 1wg4 s SER 83 Cb -0.08 0.47 0.05 0.00 0.21 0.00 0.00 66.02 66.66 1wg4 s SER 83 CO 0.11 -0.86 0.75 -0.31 0.41 0.00 0.00 173.24 173.33 1wg4 s TYR 84 N -3.83 2.95 -0.17 2.43 1.51 -1.26 -1.56 117.35 117.43 1wg4 s TYR 84 Ca 0.05 -0.29 -0.06 0.00 -1.01 0.00 0.00 57.07 55.76 1wg4 s TYR 84 Cb 0.02 -3.72 -0.04 0.00 -0.11 0.00 0.00 41.96 38.12 1wg4 s TYR 84 CO -0.10 -1.13 0.02 0.96 -1.11 0.00 0.00 175.55 174.19 1wg4 s ILE 85 N 3.15 4.43 0.34 2.71 -4.36 -0.57 -4.65 121.20 122.24 1wg4 s ILE 85 Ca 0.22 -0.16 -0.05 0.00 -0.26 0.00 0.00 60.65 60.39 1wg4 s ILE 85 Cb -0.16 -2.98 -0.05 0.00 1.25 0.00 0.00 42.46 40.52 1wg4 s ILE 85 CO 0.15 0.47 0.62 -0.13 0.24 0.00 0.00 174.94 176.29 1wg4 s ARG 86 N 0.42 3.64 -0.16 0.37 1.81 -1.11 -1.25 118.95 122.66 1wg4 s ARG 86 Ca 0.00 0.08 0.01 0.00 -1.72 0.00 0.00 55.73 54.10 1wg4 s ARG 86 Cb -0.13 -2.57 0.02 0.00 -0.45 0.00 0.00 34.95 31.82 1wg4 s ARG 86 CO 0.01 0.12 -0.16 0.08 -0.68 0.00 0.00 175.30 174.67 1wg4 s VAL 87 N -2.23 1.75 0.06 3.52 1.01 -1.26 -3.32 120.40 119.94 1wg4 s VAL 87 Ca 0.45 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 1wg4 s VAL 87 Cb -0.10 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1wg4 s VAL 87 CO 0.32 0.46 0.26 -0.72 0.00 0.00 0.00 175.10 175.42 1wg4 s TYR 88 N 1.41 -0.01 1.07 5.22 1.13 -0.83 -4.61 117.35 120.73 1wg4 s TYR 88 Ca 0.04 -0.25 -0.17 0.00 -1.41 0.00 0.00 57.07 55.29 1wg4 s TYR 88 Cb -0.13 0.04 0.23 0.00 -1.10 0.00 0.00 41.96 41.00 1wg4 s TYR 88 CO -0.11 -0.52 1.21 -1.25 -2.51 0.00 0.00 175.55 172.38 1wg4 s PRO 89 N -3.03 -0.15 -0.05 -3.49 0.04 -1.26 0.19 135.00 127.25 1wg4 s PRO 89 Ca -0.02 -0.20 -0.29 0.00 0.04 0.00 0.00 61.00 60.53 1wg4 s PRO 89 Cb 0.01 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.79 1wg4 s PRO 89 CO -0.06 -2.98 0.97 -2.00 0.04 0.00 0.00 177.00 172.97 1wg4 s GLU 90 N -5.63 4.49 -0.09 4.56 -6.30 -1.26 -4.62 118.70 109.85 1wg4 s GLU 90 Ca 0.72 1.36 -0.02 0.00 -2.50 0.00 0.00 54.97 54.53 1wg4 s GLU 90 Cb -0.07 -3.49 -0.03 0.00 0.00 0.00 0.00 34.13 30.53 1wg4 s GLU 90 CO 0.54 -0.15 0.01 0.50 0.02 0.00 0.00 175.26 176.18 1wg4 s ARG 91 N 1.41 3.01 -0.30 4.30 3.52 -1.26 -4.76 118.95 124.87 1wg4 s ARG 91 Ca 0.49 -0.39 -0.09 0.00 -0.13 0.00 0.00 55.73 55.61 1wg4 s ARG 91 Cb -0.20 -2.82 0.01 0.00 -1.56 0.00 0.00 34.95 30.39 1wg4 s ARG 91 CO 0.23 0.71 0.33 0.45 -0.81 0.00 0.00 175.30 176.21 1wg4 n SER 92 N 2.13 -6.45 -4.71 -2.12 2.88 -1.26 -4.94 113.62 99.15 1wg4 n SER 92 Ca -0.19 0.58 -0.42 0.00 -1.33 0.00 0.00 58.87 57.51 1wg4 n SER 92 Cb 0.54 -4.27 -0.03 0.00 -0.75 0.00 0.00 64.21 59.70 1wg4 n SER 92 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wg4 s SER 93 N -1.94 7.10 0.69 -3.46 0.01 -1.26 -4.99 113.70 109.85 1wg4 s SER 93 Ca 0.14 2.00 -0.17 0.00 1.31 0.00 0.00 55.95 59.23 1wg4 s SER 93 Cb -0.04 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.62 1wg4 s SER 93 CO 0.58 -0.45 1.21 0.61 0.41 0.00 0.00 173.24 175.59 1wg4 n GLY 94 N 3.17 0.25 3.27 3.44 0.00 -1.26 -5.01 105.19 109.05 1wg4 n GLY 94 Ca 0.09 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 1wg4 n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wg4 n PRO 95 N -2.18 -2.03 -3.31 1.61 -0.04 -1.26 -5.08 135.00 122.70 1wg4 n PRO 95 Ca 0.15 -1.69 -0.11 0.00 -0.04 0.00 0.00 63.50 61.81 1wg4 n PRO 95 Cb 0.49 -1.34 -0.06 0.00 -0.04 0.00 0.00 33.50 32.55 1wg4 n PRO 95 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wg4 s SER 96 N -4.73 0.43 -0.08 3.54 0.01 -1.26 -5.13 113.70 106.48 1wg4 s SER 96 Ca 0.65 -0.91 0.04 0.00 1.31 0.00 0.00 55.95 57.04 1wg4 s SER 96 Cb -0.04 1.01 0.00 0.00 0.21 0.00 0.00 66.02 67.20 1wg4 s SER 96 CO 0.48 -0.29 -0.20 -0.55 0.41 0.00 0.00 173.24 173.08 1wg4 s SER 97 N 2.01 2.65 0.00 2.44 0.15 -1.26 -5.36 113.70 114.34 1wg4 s SER 97 Ca 0.13 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.32 1wg4 s SER 97 Cb -0.12 -1.10 0.00 0.00 -1.71 0.00 0.00 66.02 63.09 1wg4 s SER 97 CO -0.17 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.02