#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 1.58 0.01 1.61 0.15 -1.26 -4.92 113.70 110.87 1wg4 s SER 2 Ca 0.00 -2.06 0.00 0.00 0.70 0.00 0.00 55.95 54.59 1wg4 s SER 2 Cb 0.00 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1wg4 s SER 2 CO 0.00 -0.24 0.00 -0.24 1.20 0.00 0.00 173.24 173.96 1wg4 n SER 3 N 3.83 -0.07 0.00 5.45 2.88 -1.26 -5.06 113.62 119.39 1wg4 n SER 3 Ca 0.16 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 1wg4 n SER 3 Cb 0.44 0.49 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 1wg4 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg4 n GLY 4 N -1.01 -1.53 3.10 0.46 0.00 -1.26 -5.17 105.19 99.78 1wg4 n GLY 4 Ca 0.00 0.59 -0.20 0.00 0.00 0.00 0.00 46.02 46.42 1wg4 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wg4 s SER 5 N 0.00 1.44 0.12 1.61 0.15 -1.26 -5.10 113.70 110.66 1wg4 s SER 5 Ca 0.00 -0.34 -0.35 0.00 0.70 0.00 0.00 55.95 55.96 1wg4 s SER 5 Cb 0.00 -0.12 -0.17 0.00 -1.71 0.00 0.00 66.02 64.03 1wg4 s SER 5 CO 0.00 0.07 1.16 -0.24 1.20 0.00 0.00 173.24 175.43 1wg4 n SER 6 N 2.31 1.06 0.00 5.45 2.88 -1.26 -4.90 113.62 119.16 1wg4 n SER 6 Ca -0.16 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1wg4 n SER 6 Cb 0.55 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 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 2.09 4.27 7.00 0.46 0.00 -1.26 -5.01 105.19 112.74 1wg4 n GLY 7 Ca 0.17 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 1.63 3.81 -0.02 0.00 -1.26 -4.71 105.19 104.64 1wg4 n GLY 8 Ca 0.00 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 2.18 0.60 1.61 0.04 -1.26 -5.03 135.00 133.13 1wg4 s PRO 9 Ca 0.00 0.68 -0.15 0.00 0.04 0.00 0.00 61.00 61.56 1wg4 s PRO 9 Cb 0.00 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 1wg4 s PRO 9 CO 0.00 -1.56 1.05 -1.25 0.04 0.00 0.00 177.00 175.28 1wg4 s PRO 10 N -5.14 3.35 1.01 0.56 0.04 -1.26 -5.00 135.00 128.56 1wg4 s PRO 10 Ca 0.60 1.15 -0.17 0.00 0.04 0.00 0.00 61.00 62.62 1wg4 s PRO 10 Cb -0.14 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 1wg4 s PRO 10 CO 0.54 -0.78 -0.21 -2.37 0.04 0.00 0.00 177.00 174.22 1wg4 n THR 11 N -2.10 0.00 -3.24 1.26 5.66 -1.26 -5.02 114.28 109.58 1wg4 n THR 11 Ca 0.08 -0.26 0.04 0.00 -3.05 0.00 0.00 64.05 60.86 1wg4 n THR 11 Cb 0.53 -0.41 -0.03 0.00 -1.55 0.00 0.00 70.33 68.87 1wg4 n THR 11 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1wg4 s ARG 12 N -3.03 0.15 0.30 1.09 3.00 -1.26 -5.18 118.95 114.01 1wg4 s ARG 12 Ca 0.50 0.34 0.02 0.00 -1.00 0.00 0.00 55.73 55.59 1wg4 s ARG 12 Cb -0.14 0.20 -0.05 0.00 0.00 0.00 0.00 34.95 34.96 1wg4 s ARG 12 CO 0.70 -0.09 0.09 -0.98 0.00 0.00 0.00 175.30 175.02 1wg4 s ARG 13 N 2.47 1.55 0.00 5.12 3.03 -1.26 -5.03 118.95 124.82 1wg4 s ARG 13 Ca -0.02 -1.86 0.00 0.00 2.03 0.00 0.00 55.73 55.88 1wg4 s ARG 13 Cb -0.05 -0.50 0.00 0.00 -1.03 0.00 0.00 34.95 33.37 1wg4 s ARG 13 CO -0.15 -0.28 0.00 0.43 -1.13 0.00 0.00 175.30 174.18 1wg4 n SER 14 N -0.64 0.00 0.00 -2.89 7.64 -1.26 -5.03 113.62 111.44 1wg4 n SER 14 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1wg4 n SER 14 Cb 0.66 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 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 -4.41 6.43 2.03 -1.26 -5.10 116.55 114.24 1wg4 n ASP 15 Ca 0.00 0.00 -0.52 0.00 0.52 0.00 0.00 54.79 54.79 1wg4 n ASP 15 Cb 0.00 0.21 -0.08 0.00 -0.72 0.00 0.00 41.12 40.53 1wg4 n ASP 15 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1wg4 n PHE 16 N -1.96 1.53 -4.45 -0.67 3.72 -1.26 -4.88 117.46 109.50 1wg4 n PHE 16 Ca 0.00 0.35 -0.24 0.00 -0.05 0.00 0.00 57.45 57.51 1wg4 n PHE 16 Cb 0.00 -2.50 -0.08 0.00 -0.94 0.00 0.00 39.48 35.96 1wg4 n PHE 16 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1wg4 s ARG 17 N 6.18 1.86 -0.10 -1.08 1.70 -1.26 -1.16 118.95 125.09 1wg4 s ARG 17 Ca 1.11 -2.12 -0.01 0.00 -0.47 0.00 0.00 55.73 54.24 1wg4 s ARG 17 Cb -0.95 -0.37 0.03 0.00 -0.57 0.00 0.00 34.95 33.09 1wg4 s ARG 17 CO 0.52 -0.51 -0.02 0.14 -1.08 0.00 0.00 175.30 174.34 1wg4 s VAL 18 N -3.30 0.62 -0.10 4.99 -7.23 0.68 -4.68 120.40 111.39 1wg4 s VAL 18 Ca 0.28 -0.12 -0.27 0.00 -1.81 0.00 0.00 61.98 60.06 1wg4 s VAL 18 Cb 0.03 -0.78 -0.02 0.00 0.56 0.00 0.00 36.38 36.16 1wg4 s VAL 18 CO 0.17 0.23 0.89 -0.76 -0.31 0.00 0.00 175.10 175.32 1wg4 s LEU 19 N 1.86 4.26 -0.04 1.32 1.43 0.51 -2.79 118.68 125.24 1wg4 s LEU 19 Ca 0.04 1.37 0.06 0.00 -1.03 0.00 0.00 54.13 54.57 1wg4 s LEU 19 Cb -0.13 -3.36 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 1wg4 s LEU 19 CO -0.07 -0.34 -0.20 -0.69 0.23 0.00 0.00 176.35 175.28 1wg4 s VAL 20 N 1.67 2.53 -0.11 -1.59 1.01 -0.25 -1.22 120.40 122.42 1wg4 s VAL 20 Ca 0.44 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 1wg4 s VAL 20 Cb -0.18 -1.94 0.05 0.00 0.00 0.00 0.00 36.38 34.31 1wg4 s VAL 20 CO 0.18 0.58 0.26 -0.94 0.00 0.00 0.00 175.10 175.18 1wg4 s SER 21 N -0.65 -0.11 0.00 3.32 1.04 -1.19 0.74 113.70 116.84 1wg4 s SER 21 Ca 0.10 0.55 0.00 0.00 0.48 0.00 0.00 55.95 57.09 1wg4 s SER 21 Cb -0.10 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1wg4 s SER 21 CO -0.00 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1wg4 n GLY 22 N 4.52 0.09 3.14 7.32 0.00 0.62 -2.90 105.19 117.99 1wg4 n GLY 22 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.60 -4.77 0.99 7.99 0.22 -4.53 117.00 112.30 1wg4 n LEU 23 Ca 0.00 0.42 -0.29 0.00 -0.01 0.00 0.00 56.01 56.12 1wg4 n LEU 23 Cb 0.00 -0.83 0.18 0.00 -0.11 0.00 0.00 43.42 42.66 1wg4 n LEU 23 CO 0.00 -5.32 0.73 -2.16 -1.51 0.00 0.00 177.39 169.13 1wg4 s PRO 24 N -1.61 0.36 0.40 3.23 0.04 -1.26 -4.37 135.00 131.79 1wg4 s PRO 24 Ca 0.49 -0.00 0.27 0.00 0.04 0.00 0.00 61.00 61.80 1wg4 s PRO 24 Cb -0.33 -1.77 0.88 0.00 0.04 0.00 0.00 34.50 33.31 1wg4 s PRO 24 CO 0.74 -2.67 1.78 -1.00 0.04 0.00 0.00 177.00 175.89 1wg4 h PRO 25 N -1.83 0.00 0.00 0.56 0.13 -1.92 -3.00 132.00 125.94 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 0.48 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.68 1wg4 n SER 26 N -2.79 1.86 -4.44 1.44 7.64 -1.26 -5.06 113.62 111.00 1wg4 n SER 26 Ca 0.03 -1.89 -0.32 0.00 1.01 0.00 0.00 58.87 57.69 1wg4 n SER 26 Cb 0.38 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.72 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 -0.44 -1.80 3.04 0.23 0.00 -1.13 -4.39 105.19 100.69 1wg4 n GLY 27 Ca 0.00 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.11 0.04 0.08 1.61 0.01 -1.26 -4.95 113.70 107.12 1wg4 s SER 28 Ca 0.59 -0.16 -0.22 0.00 1.31 0.00 0.00 55.95 57.46 1wg4 s SER 28 Cb -0.20 0.18 -0.13 0.00 0.21 0.00 0.00 66.02 66.08 1wg4 s SER 28 CO 0.66 -0.26 1.65 4.11 0.41 0.00 0.00 173.24 179.80 1wg4 h TRP 29 N 4.85 0.11 0.00 2.43 5.08 -1.91 0.17 115.95 126.69 1wg4 h TRP 29 Ca -0.29 -0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.67 1wg4 h TRP 29 Cb 1.20 -0.04 0.00 0.00 -3.00 0.00 0.00 29.16 27.32 1wg4 h TRP 29 CO 0.56 0.19 0.00 0.94 -1.28 0.00 0.00 178.44 178.84 1wg4 n GLN 30 N -4.97 0.00 -0.17 0.12 7.27 -1.26 0.18 117.38 118.55 1wg4 n GLN 30 Ca -0.06 0.82 -0.02 0.00 0.07 0.00 0.00 57.00 57.81 1wg4 n GLN 30 Cb 0.09 -1.38 0.08 0.00 2.41 0.00 0.00 30.24 31.43 1wg4 n GLN 30 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 1wg4 h ASP 31 N 0.00 -0.00 -0.52 1.69 5.19 -1.93 -0.72 116.42 120.13 1wg4 h ASP 31 Ca 0.00 0.09 0.10 0.00 -0.62 0.00 0.00 57.03 56.60 1wg4 h ASP 31 Cb 0.00 0.13 -0.11 0.00 0.18 0.00 0.00 39.33 39.54 1wg4 h ASP 31 CO 0.00 0.02 -0.30 0.25 -3.12 0.00 0.00 179.24 176.09 1wg4 h LEU 32 N 0.24 -1.04 0.54 1.55 6.46 0.74 -1.19 115.31 122.61 1wg4 h LEU 32 Ca 0.27 0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 58.22 1wg4 h LEU 32 Cb 0.37 0.52 -0.02 0.00 -0.73 0.00 0.00 40.66 40.80 1wg4 h LEU 32 CO -0.35 -0.30 -0.50 0.50 -0.62 0.00 0.00 178.44 177.17 1wg4 h LYS 33 N -0.17 -0.99 -1.41 1.25 3.64 0.31 0.16 116.57 119.35 1wg4 h LYS 33 Ca 0.22 0.07 0.44 0.00 -1.27 0.00 0.00 60.65 60.11 1wg4 h LYS 33 Cb 0.53 0.23 -0.09 0.00 -0.41 0.00 0.00 32.23 32.48 1wg4 h LYS 33 CO -0.62 -0.66 0.97 -0.25 -2.27 0.00 0.00 179.45 176.62 1wg4 n ASP 34 N -5.52 0.09 -0.07 4.20 8.00 -0.40 0.19 116.55 123.05 1wg4 n ASP 34 Ca -0.12 1.02 -0.10 0.00 0.71 0.00 0.00 54.79 56.29 1wg4 n ASP 34 Cb 0.47 -0.50 -0.09 0.00 -0.02 0.00 0.00 41.12 40.97 1wg4 n ASP 34 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 1wg4 h HIS 35 N 0.00 0.00 -0.98 1.24 2.76 0.07 -3.34 115.15 114.89 1wg4 h HIS 35 Ca 0.77 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 59.02 1wg4 h HIS 35 Cb 2.79 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 31.68 1wg4 h HIS 35 CO -0.00 0.74 0.63 0.52 -1.30 0.00 0.00 177.93 178.51 1wg4 h MET 36 N -1.00 1.06 -1.48 5.26 2.86 0.48 -1.09 114.93 121.03 1wg4 h MET 36 Ca -0.02 -0.06 0.43 0.00 -2.06 0.00 0.00 59.70 57.98 1wg4 h MET 36 Cb 0.74 -0.24 -0.06 0.00 0.06 0.00 0.00 31.60 32.10 1wg4 h MET 36 CO -0.01 0.70 1.30 0.00 1.06 0.00 0.00 176.91 179.97 1wg4 h ARG 37 N 1.10 0.00 -0.55 1.72 3.08 0.14 -0.66 114.38 119.21 1wg4 h ARG 37 Ca 0.44 0.00 0.22 0.00 0.07 0.00 0.00 59.98 60.72 1wg4 h ARG 37 Cb 0.26 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.21 1wg4 h ARG 37 CO -0.20 0.00 0.27 0.39 -1.07 0.00 0.00 179.97 179.36 1wg4 n GLU 38 N -3.59 -0.03 0.00 0.04 -0.58 -0.41 -0.58 120.64 115.48 1wg4 n GLU 38 Ca 0.33 0.76 0.00 0.00 -0.42 0.00 0.00 57.16 57.83 1wg4 n GLU 38 Cb 1.75 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 31.27 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 -2.67 -0.04 -2.45 0.62 0.00 -0.25 -4.96 120.51 110.75 1wg4 n ALA 39 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1wg4 n ALA 39 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 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 0.30 4.11 3.65 0.00 0.00 0.25 -4.92 105.19 108.60 1wg4 n GLY 40 Ca 0.00 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 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 1.55 6.62 -0.18 1.61 -1.08 -1.26 -4.58 116.67 119.35 1wg4 s ASP 41 Ca 0.00 0.75 -0.22 0.00 -0.52 0.00 0.00 52.55 52.57 1wg4 s ASP 41 Cb 0.00 -2.33 -0.02 0.00 -1.46 0.00 0.00 42.92 39.11 1wg4 s ASP 41 CO 0.00 -0.25 0.66 -0.69 0.52 0.00 0.00 175.17 175.41 1wg4 s VAL 42 N 1.90 5.01 -0.08 1.11 1.01 -1.26 -3.68 120.40 124.40 1wg4 s VAL 42 Ca 0.27 1.26 0.14 0.00 0.00 0.00 0.00 61.98 63.65 1wg4 s VAL 42 Cb -0.16 -3.97 -0.22 0.00 0.00 0.00 0.00 36.38 32.03 1wg4 s VAL 42 CO 0.10 0.12 0.62 0.00 0.00 0.00 0.00 175.10 175.93 1wg4 s TYR 44 N -2.66 0.24 -0.20 0.00 6.14 -1.18 -4.89 117.35 114.80 1wg4 s TYR 44 Ca -0.05 -0.03 -0.07 0.00 0.64 0.00 0.00 57.07 57.56 1wg4 s TYR 44 Cb 0.08 -0.21 0.09 0.00 0.42 0.00 0.00 41.96 42.34 1wg4 s TYR 44 CO 0.82 -0.04 0.43 0.00 0.64 0.00 0.00 175.55 177.41 1wg4 s ALA 45 N 0.22 -1.18 0.27 3.97 0.00 -1.26 -1.77 121.76 122.02 1wg4 s ALA 45 Ca -0.02 1.54 -0.14 0.00 0.00 0.00 0.00 51.96 53.35 1wg4 s ALA 45 Cb -0.04 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.78 1wg4 s ALA 45 CO -0.01 -0.71 0.54 0.34 0.00 0.00 0.00 175.76 175.92 1wg4 s ASP 46 N 2.49 -0.04 0.00 0.00 -1.08 -0.88 -4.82 116.67 112.35 1wg4 s ASP 46 Ca -0.03 -0.93 0.00 0.00 -0.52 0.00 0.00 52.55 51.08 1wg4 s ASP 46 Cb -0.12 0.63 -0.00 0.00 -1.46 0.00 0.00 42.92 41.98 1wg4 s ASP 46 CO -0.13 -1.23 -0.00 0.54 0.52 0.00 0.00 175.17 174.87 1wg4 s VAL 47 N -3.82 0.02 0.21 1.11 0.11 -1.26 -2.01 120.40 114.76 1wg4 s VAL 47 Ca 0.21 -0.12 0.07 0.00 -2.93 0.00 0.00 61.98 59.20 1wg4 s VAL 47 Cb -0.02 -0.05 -0.04 0.00 -1.53 0.00 0.00 36.38 34.75 1wg4 s VAL 47 CO 0.10 -0.06 0.13 -1.10 -3.33 0.00 0.00 175.10 170.84 1wg4 s GLN 48 N -0.19 2.79 1.13 1.54 -0.21 0.42 -4.94 119.66 120.20 1wg4 s GLN 48 Ca -0.02 -1.03 -0.18 0.00 0.02 0.00 0.00 55.36 54.15 1wg4 s GLN 48 Cb -0.01 -2.53 0.16 0.00 1.00 0.00 0.00 33.01 31.63 1wg4 s GLN 48 CO -0.00 0.43 0.21 0.36 -2.12 0.00 0.00 175.29 174.18 1wg4 n LYS 49 N -0.72 -2.16 0.00 2.91 0.00 -1.26 -1.61 118.16 115.31 1wg4 n LYS 49 Ca -0.08 -0.63 0.00 0.00 -0.00 0.00 0.00 58.31 57.60 1wg4 n LYS 49 Cb 0.56 -1.68 0.00 0.00 -0.00 0.00 0.00 35.03 33.91 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 -2.14 0.00 0.00 -5.58 2.03 -1.26 -2.94 116.55 106.66 1wg4 n ASP 50 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 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 3.78 0.27 0.00 -1.14 -4.80 105.19 103.29 1wg4 n GLY 51 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 2.85 0.05 1.61 -1.94 -0.64 0.23 119.30 121.46 1wg4 s MET 52 Ca 0.00 -0.83 -0.05 0.00 -1.71 0.00 0.00 55.69 53.10 1wg4 s MET 52 Cb 0.00 -2.65 -0.02 0.00 2.01 0.00 0.00 34.83 34.18 1wg4 s MET 52 CO 0.00 0.51 0.08 0.20 -0.01 0.00 0.00 175.02 175.80 1wg4 s GLY 53 N -2.85 0.22 -0.17 -0.03 0.00 0.23 0.16 107.32 104.87 1wg4 s GLY 53 Ca 0.30 -0.69 -0.07 0.00 0.00 0.00 0.00 44.72 44.27 1wg4 s GLY 53 CO 0.22 -0.82 0.37 -0.29 0.00 0.00 0.00 173.10 172.58 1wg4 s MET 54 N -3.01 0.28 -0.02 2.90 1.75 -0.85 -1.10 119.30 119.25 1wg4 s MET 54 Ca -0.01 0.91 0.03 0.00 -1.25 0.00 0.00 55.69 55.36 1wg4 s MET 54 Cb 0.01 0.17 -0.00 0.00 2.84 0.00 0.00 34.83 37.85 1wg4 s MET 54 CO -0.06 -0.24 -0.09 0.14 -0.65 0.00 0.00 175.02 174.11 1wg4 s VAL 55 N 2.35 0.78 -0.12 10.11 -7.23 -1.12 -2.07 120.40 123.10 1wg4 s VAL 55 Ca -0.02 -0.38 0.01 0.00 -1.81 0.00 0.00 61.98 59.77 1wg4 s VAL 55 Cb -0.11 -0.68 -0.01 0.00 0.56 0.00 0.00 36.38 36.13 1wg4 s VAL 55 CO -0.11 0.24 -0.15 -1.61 -0.31 0.00 0.00 175.10 173.15 1wg4 s GLU 56 N 0.05 3.31 0.27 4.82 2.02 -0.73 -0.23 118.70 128.21 1wg4 s GLU 56 Ca -0.01 -0.73 0.04 0.00 0.02 0.00 0.00 54.97 54.30 1wg4 s GLU 56 Cb -0.07 -2.56 -0.03 0.00 0.10 0.00 0.00 34.13 31.57 1wg4 s GLU 56 CO 0.00 0.20 0.41 0.71 0.02 0.00 0.00 175.26 176.59 1wg4 s TYR 57 N 0.37 3.45 -0.26 1.61 2.02 -0.30 -1.50 117.35 122.73 1wg4 s TYR 57 Ca -0.12 0.05 0.23 0.00 -0.37 0.00 0.00 57.07 56.85 1wg4 s TYR 57 Cb -0.16 -1.66 0.02 0.00 -0.40 0.00 0.00 41.96 39.76 1wg4 s TYR 57 CO 0.06 0.35 1.06 1.28 -1.57 0.00 0.00 175.55 176.73 1wg4 n LEU 58 N -1.50 0.84 -4.32 -1.29 4.77 -1.24 -4.42 117.00 109.83 1wg4 n LEU 58 Ca -0.08 0.32 -0.32 0.00 -0.03 0.00 0.00 56.01 55.90 1wg4 n LEU 58 Cb 0.57 -0.07 -0.16 0.00 -2.33 0.00 0.00 43.42 41.44 1wg4 n LEU 58 CO 0.46 -0.18 -0.54 -0.13 -1.33 0.00 0.00 177.39 175.67 1wg4 s ARG 59 N -3.35 2.43 0.11 3.23 1.81 -1.26 -4.89 118.95 117.01 1wg4 s ARG 59 Ca -0.00 -0.87 -0.26 0.00 -1.72 0.00 0.00 55.73 52.88 1wg4 s ARG 59 Cb 0.10 -2.18 -0.10 0.00 -0.45 0.00 0.00 34.95 32.32 1wg4 s ARG 59 CO 0.79 0.48 1.67 -0.22 -0.68 0.00 0.00 175.30 177.33 1wg4 h LYS 60 N 5.76 -0.35 -0.56 3.54 3.64 -1.92 -2.59 116.57 124.09 1wg4 h LYS 60 Ca -0.38 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.12 1wg4 h LYS 60 Cb 1.15 0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 32.94 1wg4 h LYS 60 CO 0.48 -0.23 -0.35 0.93 -2.27 0.00 0.00 179.45 178.00 1wg4 h GLU 61 N -0.36 -0.18 -0.94 1.90 5.08 -1.99 0.22 114.58 118.31 1wg4 h GLU 61 Ca 0.02 0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.60 1wg4 h GLU 61 Cb 0.37 0.04 -0.18 0.00 0.50 0.00 0.00 28.75 29.49 1wg4 h GLU 61 CO -0.09 -0.12 -0.16 -0.44 -1.00 0.00 0.00 179.01 177.20 1wg4 h ASP 62 N -0.19 -0.75 0.04 1.42 3.32 -1.82 1.48 116.42 119.92 1wg4 h ASP 62 Ca 0.21 0.28 -0.00 0.00 0.02 0.00 0.00 57.03 57.54 1wg4 h ASP 62 Cb 0.55 0.55 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 1wg4 h ASP 62 CO -0.66 -0.31 -0.07 -0.03 -1.72 0.00 0.00 179.24 176.45 1wg4 h MET 63 N 0.01 -0.12 -0.71 3.56 4.05 -0.38 0.20 114.93 121.55 1wg4 h MET 63 Ca 0.48 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 60.01 1wg4 h MET 63 Cb 0.81 0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 31.57 1wg4 h MET 63 CO -0.94 -0.08 0.33 0.93 0.23 0.00 0.00 176.91 177.38 1wg4 h GLU 64 N -0.12 0.53 0.01 0.39 5.08 -0.81 0.44 114.58 120.11 1wg4 h GLU 64 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1wg4 h GLU 64 Cb 0.11 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1wg4 h GLU 64 CO -0.03 0.35 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.30 1wg4 h TYR 65 N 0.55 -0.34 -0.85 4.33 5.03 0.23 0.24 116.97 126.16 1wg4 h TYR 65 Ca 0.36 0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.76 1wg4 h TYR 65 Cb 0.42 0.15 -0.06 0.00 1.55 0.00 0.00 36.73 38.79 1wg4 h TYR 65 CO -0.12 -0.13 0.55 0.00 -1.32 0.00 0.00 178.16 177.14 1wg4 h ALA 66 N -1.30 1.63 0.09 1.82 0.00 -0.38 0.64 119.26 121.76 1wg4 h ALA 66 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1wg4 h ALA 66 Cb 0.16 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1wg4 h ALA 66 CO -0.07 0.22 -0.54 -0.07 0.00 0.00 0.00 179.25 178.79 1wg4 h LEU 67 N 0.88 -1.62 0.19 0.00 3.38 0.71 0.49 115.31 119.33 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 0.32 0.60 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1wg4 h LEU 67 CO -0.15 -0.55 -0.09 0.03 0.09 0.00 0.00 178.44 177.77 1wg4 h ARG 68 N -0.74 -0.25 -0.64 1.13 3.08 0.05 0.64 114.38 117.65 1wg4 h ARG 68 Ca -0.00 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.12 1wg4 h ARG 68 Cb 0.75 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.79 1wg4 h ARG 68 CO -0.31 -0.17 -0.38 1.63 -1.07 0.00 0.00 179.97 179.67 1wg4 n LYS 69 N -3.48 -0.28 0.24 0.04 4.01 0.22 -1.47 118.16 117.43 1wg4 n LYS 69 Ca -0.03 1.12 -0.10 0.00 -0.51 0.00 0.00 58.31 58.79 1wg4 n LYS 69 Cb 0.10 -1.64 -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 -0.53 -0.06 -0.35 3.38 -0.13 -3.47 115.31 114.15 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 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1wg4 h LEU 70 CO -0.60 -0.29 -0.02 -0.67 0.09 0.00 0.00 178.44 176.95 1wg4 n ASP 71 N -4.17 -0.10 -2.19 -0.43 2.03 0.22 -3.75 116.55 108.16 1wg4 n ASP 71 Ca -0.08 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.21 1wg4 n ASP 71 Cb 0.25 -0.03 -0.02 0.00 -0.72 0.00 0.00 41.12 40.60 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 1.37 -3.81 -4.20 1.67 2.03 -1.20 -4.84 116.55 107.57 1wg4 n ASP 72 Ca -0.00 1.20 -0.12 0.00 0.52 0.00 0.00 54.79 56.39 1wg4 n ASP 72 Cb 0.01 -4.22 -0.10 0.00 -0.72 0.00 0.00 41.12 36.08 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 -0.48 0.02 -0.65 5.18 -4.23 -0.53 -4.95 115.64 110.00 1wg4 s THR 73 Ca -0.12 -1.99 -0.19 0.00 -1.18 0.00 0.00 61.69 58.21 1wg4 s THR 73 Cb 0.01 -2.45 0.11 0.00 1.34 0.00 0.00 72.50 71.51 1wg4 s THR 73 CO 0.34 -0.05 0.77 -0.75 -0.54 0.00 0.00 174.62 174.39 1wg4 s LYS 74 N -4.15 3.15 -0.01 3.99 2.20 -1.26 -1.84 119.74 121.82 1wg4 s LYS 74 Ca 0.37 -1.41 -0.24 0.00 -0.36 0.00 0.00 55.97 54.33 1wg4 s LYS 74 Cb 0.07 -4.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.00 1wg4 s LYS 74 CO 0.11 -1.57 0.72 0.12 -0.36 0.00 0.00 175.35 174.37 1wg4 s PHE 75 N 2.61 3.65 -0.33 4.03 5.36 -0.12 -4.88 117.98 128.30 1wg4 s PHE 75 Ca 0.15 1.34 -0.07 0.00 -0.96 0.00 0.00 56.93 57.40 1wg4 s PHE 75 Cb -0.21 -2.79 0.03 0.00 -0.34 0.00 0.00 43.02 39.71 1wg4 s PHE 75 CO 0.04 0.19 0.10 0.50 -1.46 0.00 0.00 175.22 174.59 1wg4 s ARG 76 N 0.35 2.73 0.66 10.12 3.52 -1.26 -1.68 118.95 133.39 1wg4 s ARG 76 Ca 0.38 -1.10 -0.11 0.00 -0.13 0.00 0.00 55.73 54.76 1wg4 s ARG 76 Cb -0.19 -3.44 0.17 0.00 -1.56 0.00 0.00 34.95 29.92 1wg4 s ARG 76 CO 0.20 -0.61 0.55 -1.13 -0.81 0.00 0.00 175.30 173.50 1wg4 n SER 77 N 4.83 -1.82 0.05 -2.12 3.41 -1.00 -4.85 113.62 112.12 1wg4 n SER 77 Ca -0.13 -0.78 0.13 0.00 -0.26 0.00 0.00 58.87 57.83 1wg4 n SER 77 Cb 0.45 -0.52 0.47 0.00 -0.26 0.00 0.00 64.21 64.35 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 -3.85 0.49 1.12 7.33 1.44 -1.26 -2.76 115.22 117.73 1wg4 n HIS 78 Ca 0.08 0.14 0.13 0.00 -2.01 0.00 0.00 57.72 56.06 1wg4 n HIS 78 Cb 0.31 -0.71 0.27 0.00 0.12 0.00 0.00 29.99 29.98 1wg4 n HIS 78 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1wg4 n GLU 79 N -1.91 2.08 0.00 -1.40 -0.58 -1.26 -4.93 120.64 112.64 1wg4 n GLU 79 Ca 0.06 -1.58 0.00 0.00 -0.42 0.00 0.00 57.16 55.22 1wg4 n GLU 79 Cb 0.39 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 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 1.29 2.61 3.59 0.62 0.00 -1.11 -4.98 105.19 107.21 1wg4 n GLY 80 Ca 0.16 -0.10 -0.54 0.00 0.00 0.00 0.00 46.02 45.55 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 1.22 -3.90 1.61 1.02 -1.26 -4.46 120.64 114.87 1wg4 n GLU 81 Ca 0.00 0.41 -0.28 0.00 -0.02 0.00 0.00 57.16 57.27 1wg4 n GLU 81 Cb 0.00 -2.29 -0.03 0.00 -0.02 0.00 0.00 31.44 29.09 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 5.18 5.33 0.17 2.62 -4.23 -1.26 -2.39 115.64 121.06 1wg4 s THR 82 Ca 1.03 -0.51 -0.17 0.00 -1.18 0.00 0.00 61.69 60.86 1wg4 s THR 82 Cb -0.96 -3.69 0.03 0.00 1.34 0.00 0.00 72.50 69.22 1wg4 s THR 82 CO 0.58 0.00 0.48 -0.44 -0.54 0.00 0.00 174.62 174.69 1wg4 s SER 83 N -2.90 -0.25 -0.42 3.99 0.01 -0.68 -4.98 113.70 108.48 1wg4 s SER 83 Ca 0.35 -0.42 -0.17 0.00 1.31 0.00 0.00 55.95 57.01 1wg4 s SER 83 Cb -0.12 0.54 0.02 0.00 0.21 0.00 0.00 66.02 66.67 1wg4 s SER 83 CO 0.28 -0.98 0.45 -0.31 0.41 0.00 0.00 173.24 173.10 1wg4 s TYR 84 N -3.85 3.16 -0.16 2.43 2.02 -1.26 -0.95 117.35 118.75 1wg4 s TYR 84 Ca 0.07 -0.32 -0.04 0.00 -0.37 0.00 0.00 57.07 56.42 1wg4 s TYR 84 Cb 0.00 -2.92 -0.03 0.00 -0.40 0.00 0.00 41.96 38.61 1wg4 s TYR 84 CO -0.06 -0.70 -0.03 0.96 -1.57 0.00 0.00 175.55 174.15 1wg4 s ILE 85 N 2.19 3.93 0.22 2.71 -4.36 -0.76 -4.61 121.20 120.52 1wg4 s ILE 85 Ca 0.13 -0.34 -0.09 0.00 -0.26 0.00 0.00 60.65 60.08 1wg4 s ILE 85 Cb -0.17 -2.72 -0.07 0.00 1.25 0.00 0.00 42.46 40.75 1wg4 s ILE 85 CO 0.14 0.49 0.54 -0.13 0.24 0.00 0.00 174.94 176.22 1wg4 s ARG 86 N 0.36 3.80 -0.20 0.37 1.81 -1.14 -1.46 118.95 122.48 1wg4 s ARG 86 Ca -0.04 0.26 -0.01 0.00 -1.72 0.00 0.00 55.73 54.22 1wg4 s ARG 86 Cb -0.14 -2.66 0.01 0.00 -0.45 0.00 0.00 34.95 31.71 1wg4 s ARG 86 CO 0.03 0.33 -0.13 0.08 -0.68 0.00 0.00 175.30 174.93 1wg4 s VAL 87 N -1.80 2.60 0.07 3.52 1.01 -1.26 -3.20 120.40 121.34 1wg4 s VAL 87 Ca 0.47 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 1wg4 s VAL 87 Cb -0.11 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 1wg4 s VAL 87 CO 0.21 0.45 0.18 -0.72 0.00 0.00 0.00 175.10 175.22 1wg4 s TYR 88 N 1.35 0.13 0.42 5.22 1.13 -0.36 -4.60 117.35 120.64 1wg4 s TYR 88 Ca 0.04 -0.50 -0.07 0.00 -1.41 0.00 0.00 57.07 55.13 1wg4 s TYR 88 Cb -0.14 -0.06 0.10 0.00 -1.10 0.00 0.00 41.96 40.76 1wg4 s TYR 88 CO -0.09 -0.50 0.46 -0.35 -2.51 0.00 0.00 175.55 172.56 1wg4 n PRO 89 N 0.19 -1.14 -2.64 -3.49 -0.04 -1.26 0.19 135.00 126.81 1wg4 n PRO 89 Ca -0.16 -0.72 -0.30 0.00 -0.04 0.00 0.00 63.50 62.28 1wg4 n PRO 89 Cb 0.61 -0.57 -0.01 0.00 -0.04 0.00 0.00 33.50 33.50 1wg4 n PRO 89 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wg4 n GLU 90 N -2.41 3.52 -2.98 0.54 0.28 -1.26 -4.48 120.64 113.85 1wg4 n GLU 90 Ca 0.06 -4.58 -0.01 0.00 -0.16 0.00 0.00 57.16 52.47 1wg4 n GLU 90 Cb 0.22 -2.27 -0.01 0.00 1.43 0.00 0.00 31.44 30.81 1wg4 n GLU 90 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1wg4 n ARG 91 N -0.34 -1.81 -3.90 3.44 0.63 -1.26 -5.03 116.66 108.39 1wg4 n ARG 91 Ca 0.38 1.70 -0.10 0.00 -0.92 0.00 0.00 57.85 58.91 1wg4 n ARG 91 Cb 0.46 -2.58 -0.10 0.00 0.45 0.00 0.00 32.46 30.69 1wg4 n ARG 91 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1wg4 s SER 92 N -0.94 0.09 0.05 6.15 1.04 -1.26 -5.17 113.70 113.65 1wg4 s SER 92 Ca -0.03 -0.31 -0.27 0.00 0.48 0.00 0.00 55.95 55.82 1wg4 s SER 92 Cb 0.00 0.19 0.09 0.00 0.10 0.00 0.00 66.02 66.40 1wg4 s SER 92 CO 0.30 -0.38 0.77 -0.44 0.98 0.00 0.00 173.24 174.46 1wg4 s SER 93 N -1.52 -0.46 0.00 7.02 0.01 -1.26 -5.16 113.70 112.32 1wg4 s SER 93 Ca -0.13 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1wg4 s SER 93 Cb -0.07 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.63 1wg4 s SER 93 CO 0.00 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.52 1wg4 n GLY 94 N -0.17 1.84 3.76 3.44 0.00 -1.26 -5.01 105.19 107.80 1wg4 n GLY 94 Ca -0.13 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.71 1wg4 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wg4 s PRO 95 N -3.49 4.51 -0.12 1.61 0.04 -1.26 -5.04 135.00 131.25 1wg4 s PRO 95 Ca 0.00 1.69 -0.01 0.00 0.04 0.00 0.00 61.00 62.72 1wg4 s PRO 95 Cb 0.00 -2.99 -0.03 0.00 0.04 0.00 0.00 34.50 31.52 1wg4 s PRO 95 CO 0.00 0.12 -0.07 -1.54 0.04 0.00 0.00 177.00 175.55 1wg4 s SER 96 N -1.11 4.55 -0.31 6.66 1.04 -1.26 -5.06 113.70 118.21 1wg4 s SER 96 Ca 0.48 -0.14 -0.08 0.00 0.48 0.00 0.00 55.95 56.70 1wg4 s SER 96 Cb -0.28 -1.50 0.19 0.00 0.10 0.00 0.00 66.02 64.52 1wg4 s SER 96 CO 0.36 0.24 0.96 -0.55 0.98 0.00 0.00 173.24 175.24 1wg4 s SER 97 N -0.09 -0.62 0.00 7.02 0.15 -1.26 -5.28 113.70 113.62 1wg4 s SER 97 Ca 0.01 0.00 0.01 0.00 0.70 0.00 0.00 55.95 56.67 1wg4 s SER 97 Cb -0.13 1.27 0.07 0.00 -1.71 0.00 0.00 66.02 65.52 1wg4 s SER 97 CO 0.03 -0.11 0.56 0.61 1.20 0.00 0.00 173.24 175.53