#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 -1.35 -4.42 1.61 7.64 -1.26 -5.03 113.62 110.81 1wg4 n SER 2 Ca 0.00 0.21 -0.22 0.00 1.01 0.00 0.00 58.87 59.88 1wg4 n SER 2 Cb 0.00 -1.26 -0.10 0.00 -1.01 0.00 0.00 64.21 61.84 1wg4 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wg4 s SER 3 N -2.23 3.18 1.46 6.43 0.01 -1.26 -4.97 113.70 116.32 1wg4 s SER 3 Ca 0.61 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1wg4 s SER 3 Cb -0.21 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.79 1wg4 s SER 3 CO 0.64 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.86 1wg4 n GLY 4 N -0.48 1.44 3.64 3.44 0.00 -1.26 -4.65 105.19 107.32 1wg4 n GLY 4 Ca -0.07 0.12 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.00 -0.51 0.44 1.61 0.15 -1.26 -5.13 113.70 105.00 1wg4 s SER 5 Ca 0.00 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1wg4 s SER 5 Cb 0.00 1.17 0.00 0.00 -1.71 0.00 0.00 66.02 65.48 1wg4 s SER 5 CO 0.00 -0.13 0.00 -0.24 1.20 0.00 0.00 173.24 174.07 1wg4 n SER 6 N 3.56 -8.53 -3.31 5.45 2.88 -1.26 -5.08 113.62 107.32 1wg4 n SER 6 Ca -0.18 1.21 0.04 0.00 -1.33 0.00 0.00 58.87 58.61 1wg4 n SER 6 Cb 0.57 -4.55 -0.05 0.00 -0.75 0.00 0.00 64.21 59.43 1wg4 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wg4 s GLY 7 N -2.75 0.47 0.00 0.46 0.00 -1.26 -5.00 107.32 99.24 1wg4 s GLY 7 Ca 0.00 3.81 0.00 0.00 0.00 0.00 0.00 44.72 48.53 1wg4 s GLY 7 CO 0.00 3.21 0.00 0.61 0.00 0.00 0.00 173.10 176.92 1wg4 n GLY 8 N 4.01 0.52 3.80 0.20 0.00 -1.26 -5.09 105.19 107.37 1wg4 n GLY 8 Ca -0.10 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.14 1.73 -1.20 1.61 0.04 -1.26 -4.89 135.00 129.89 1wg4 s PRO 9 Ca 0.00 0.51 -0.10 0.00 0.04 0.00 0.00 61.00 61.46 1wg4 s PRO 9 Cb 0.00 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 1wg4 s PRO 9 CO 0.00 -1.84 2.40 -0.35 0.04 0.00 0.00 177.00 177.25 1wg4 n PRO 10 N -3.56 2.66 -1.38 0.56 -0.04 -1.26 -4.91 135.00 127.07 1wg4 n PRO 10 Ca 0.07 -1.86 -0.57 0.00 -0.04 0.00 0.00 63.50 61.09 1wg4 n PRO 10 Cb 0.57 -2.70 -0.09 0.00 -0.04 0.00 0.00 33.50 31.24 1wg4 n PRO 10 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wg4 n THR 11 N 4.26 0.00 -2.66 0.52 -2.24 -1.26 -4.80 114.28 108.10 1wg4 n THR 11 Ca 0.58 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 62.36 1wg4 n THR 11 Cb 0.22 -0.44 0.04 0.00 -2.10 0.00 0.00 70.33 68.05 1wg4 n THR 11 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wg4 n ARG 12 N 4.66 1.14 -0.03 -0.78 1.74 -1.26 -4.66 116.66 117.48 1wg4 n ARG 12 Ca 0.35 -2.96 -0.08 0.00 -0.77 0.00 0.00 57.85 54.39 1wg4 n ARG 12 Cb -0.05 -1.03 -0.14 0.00 -1.02 0.00 0.00 32.46 30.22 1wg4 n ARG 12 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1wg4 n ARG 13 N -0.20 0.64 0.00 5.56 1.85 -1.26 -4.85 116.66 118.40 1wg4 n ARG 13 Ca 0.08 0.23 0.00 0.00 -1.00 0.00 0.00 57.85 57.17 1wg4 n ARG 13 Cb 0.93 -1.74 0.00 0.00 -1.05 0.00 0.00 32.46 30.60 1wg4 n ARG 13 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1wg4 n SER 14 N -2.98 0.00 -3.34 2.89 7.64 -1.26 -5.05 113.62 111.52 1wg4 n SER 14 Ca -0.19 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.50 1wg4 n SER 14 Cb 1.06 0.19 0.06 0.00 -1.01 0.00 0.00 64.21 64.51 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 -2.30 -6.28 -3.38 6.43 2.03 -1.26 -4.94 116.55 106.85 1wg4 n ASP 15 Ca 0.00 -0.77 -0.14 0.00 0.52 0.00 0.00 54.79 54.40 1wg4 n ASP 15 Cb 0.00 -4.83 -0.09 0.00 -0.72 0.00 0.00 41.12 35.48 1wg4 n ASP 15 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1wg4 s PHE 16 N -3.41 -0.64 0.43 -0.67 0.08 -1.26 -5.08 117.98 107.44 1wg4 s PHE 16 Ca 0.45 0.11 0.03 0.00 0.12 0.00 0.00 56.93 57.65 1wg4 s PHE 16 Cb -0.08 -0.31 -0.03 0.00 -0.57 0.00 0.00 43.02 42.03 1wg4 s PHE 16 CO 0.77 -0.89 0.08 -0.98 -0.10 0.00 0.00 175.22 174.09 1wg4 s ARG 17 N 2.43 1.99 -0.03 0.44 1.70 -1.26 -1.19 118.95 123.02 1wg4 s ARG 17 Ca 0.10 -2.22 0.02 0.00 -0.47 0.00 0.00 55.73 53.16 1wg4 s ARG 17 Cb -0.14 -0.96 0.01 0.00 -0.57 0.00 0.00 34.95 33.29 1wg4 s ARG 17 CO -0.28 -0.39 -0.07 0.14 -1.08 0.00 0.00 175.30 173.61 1wg4 s VAL 18 N -3.09 0.68 -0.25 4.99 -7.23 0.08 -4.51 120.40 111.07 1wg4 s VAL 18 Ca 0.20 -0.27 -0.18 0.00 -1.81 0.00 0.00 61.98 59.92 1wg4 s VAL 18 Cb 0.03 -0.64 -0.03 0.00 0.56 0.00 0.00 36.38 36.31 1wg4 s VAL 18 CO 0.11 0.23 0.53 -0.76 -0.31 0.00 0.00 175.10 174.91 1wg4 s LEU 19 N 0.45 4.07 -0.08 1.32 1.43 0.50 -2.85 118.68 123.52 1wg4 s LEU 19 Ca -0.07 0.58 -0.05 0.00 -1.03 0.00 0.00 54.13 53.57 1wg4 s LEU 19 Cb -0.11 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 1wg4 s LEU 19 CO 0.01 -0.28 0.13 -0.69 0.23 0.00 0.00 176.35 175.74 1wg4 s VAL 20 N 2.20 5.27 -0.01 -1.59 1.01 -0.44 -1.98 120.40 124.86 1wg4 s VAL 20 Ca 0.23 0.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.09 1wg4 s VAL 20 Cb -0.16 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1wg4 s VAL 20 CO 0.09 0.54 0.29 -0.94 0.00 0.00 0.00 175.10 175.08 1wg4 s SER 21 N -1.26 -0.16 0.00 3.32 1.04 -1.08 -0.11 113.70 115.46 1wg4 s SER 21 Ca 0.18 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1wg4 s SER 21 Cb -0.12 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1wg4 s SER 21 CO 0.08 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1wg4 n GLY 22 N 1.26 0.71 3.92 7.32 0.00 0.55 -0.66 105.19 118.29 1wg4 n GLY 22 Ca -0.22 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.17 3.90 0.97 0.99 1.43 0.75 -3.75 118.68 121.80 1wg4 s LEU 23 Ca 0.00 0.70 -0.14 0.00 -1.03 0.00 0.00 54.13 53.65 1wg4 s LEU 23 Cb 0.00 -3.57 0.18 0.00 0.03 0.00 0.00 46.19 42.82 1wg4 s LEU 23 CO 0.00 -0.36 1.17 -2.16 0.23 0.00 0.00 176.35 175.23 1wg4 s PRO 24 N -4.21 0.60 0.47 1.29 0.04 -1.26 -4.35 135.00 127.59 1wg4 s PRO 24 Ca 0.44 0.09 0.27 0.00 0.04 0.00 0.00 61.00 61.83 1wg4 s PRO 24 Cb -0.10 -1.80 0.80 0.00 0.04 0.00 0.00 34.50 33.44 1wg4 s PRO 24 CO 0.37 -2.52 1.77 -1.00 0.04 0.00 0.00 177.00 175.66 1wg4 h PRO 25 N -1.73 0.00 0.00 0.56 0.13 -1.97 -2.98 132.00 126.01 1wg4 h PRO 25 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1wg4 h PRO 25 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1wg4 h PRO 25 CO 0.52 0.07 -0.93 0.43 -0.23 0.00 0.00 178.00 177.87 1wg4 n SER 26 N -3.15 0.83 -4.63 1.44 7.64 -1.26 -4.99 113.62 109.50 1wg4 n SER 26 Ca 0.02 -0.75 -0.50 0.00 1.01 0.00 0.00 58.87 58.64 1wg4 n SER 26 Cb 0.45 1.12 -0.05 0.00 -1.01 0.00 0.00 64.21 64.71 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 1.41 0.77 3.48 0.23 0.00 -1.13 -4.12 105.19 105.83 1wg4 n GLY 27 Ca 0.02 0.72 -0.27 0.00 0.00 0.00 0.00 46.02 46.49 1wg4 n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wg4 n SER 28 N 3.32 2.97 0.10 1.61 7.64 -1.26 -4.87 113.62 123.13 1wg4 n SER 28 Ca 0.19 -2.92 -0.23 0.00 1.01 0.00 0.00 58.87 56.92 1wg4 n SER 28 Cb 0.22 0.14 -0.15 0.00 -1.01 0.00 0.00 64.21 63.41 1wg4 n SER 28 CO 0.00 0.00 0.00 4.11 -3.01 0.00 0.00 175.04 176.14 1wg4 h TRP 29 N 0.94 0.80 0.00 1.43 5.08 -1.94 -3.05 115.95 119.21 1wg4 h TRP 29 Ca -0.36 -0.58 0.00 0.00 1.08 0.00 0.00 58.89 59.03 1wg4 h TRP 29 Cb 1.19 -0.03 0.00 0.00 -3.00 0.00 0.00 29.16 27.32 1wg4 h TRP 29 CO 0.00 1.61 0.00 1.04 -1.28 0.00 0.00 178.44 179.81 1wg4 n GLN 30 N -3.63 0.00 -0.33 0.12 6.02 -1.26 0.18 117.38 118.49 1wg4 n GLN 30 Ca -0.21 0.59 0.14 0.00 -0.01 0.00 0.00 57.00 57.51 1wg4 n GLN 30 Cb 1.09 -1.31 0.34 0.00 1.02 0.00 0.00 30.24 31.37 1wg4 n GLN 30 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1wg4 h ASP 31 N 0.00 0.60 0.20 1.08 5.19 -1.92 0.11 116.42 121.68 1wg4 h ASP 31 Ca 0.00 0.13 0.01 0.00 -0.62 0.00 0.00 57.03 56.55 1wg4 h ASP 31 Cb 0.00 0.04 -0.03 0.00 0.18 0.00 0.00 39.33 39.52 1wg4 h ASP 31 CO 0.00 0.13 -0.29 0.25 -3.12 0.00 0.00 179.24 176.21 1wg4 h LEU 32 N 0.58 -0.80 0.21 1.55 6.46 -1.21 -0.78 115.31 121.32 1wg4 h LEU 32 Ca 0.59 0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 58.43 1wg4 h LEU 32 Cb 1.06 0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 41.26 1wg4 h LEU 32 CO -0.46 -0.39 -0.31 0.50 -0.62 0.00 0.00 178.44 177.16 1wg4 h LYS 33 N -0.55 -0.53 -1.66 1.25 3.64 0.44 1.55 116.57 120.71 1wg4 h LYS 33 Ca 0.01 0.04 0.48 0.00 -1.27 0.00 0.00 60.65 59.91 1wg4 h LYS 33 Cb 0.54 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.42 1wg4 h LYS 33 CO -0.11 -0.35 1.31 -0.44 -2.27 0.00 0.00 179.45 177.58 1wg4 h ASP 34 N -0.55 0.00 0.00 4.20 3.32 -0.93 1.65 116.42 124.11 1wg4 h ASP 34 Ca -0.02 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1wg4 h ASP 34 Cb 0.50 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1wg4 h ASP 34 CO -0.09 0.00 -0.40 -0.74 -1.72 0.00 0.00 179.24 176.28 1wg4 h HIS 35 N 0.00 0.00 -0.99 4.55 2.76 0.75 -3.37 115.15 118.85 1wg4 h HIS 35 Ca 0.79 0.00 0.12 0.00 -2.20 0.00 0.00 60.37 59.08 1wg4 h HIS 35 Cb 3.39 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 32.27 1wg4 h HIS 35 CO 0.00 0.41 0.63 0.52 -1.30 0.00 0.00 177.93 178.18 1wg4 h MET 36 N -1.00 0.94 -0.85 5.26 2.86 0.68 0.06 114.93 122.89 1wg4 h MET 36 Ca -0.06 -0.06 0.25 0.00 -2.06 0.00 0.00 59.70 57.77 1wg4 h MET 36 Cb 0.56 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 1wg4 h MET 36 CO -0.04 0.62 1.03 0.00 1.06 0.00 0.00 176.91 179.58 1wg4 h ARG 37 N 0.97 0.00 -0.58 1.72 2.47 0.20 -1.32 114.38 117.84 1wg4 h ARG 37 Ca 0.49 0.00 0.24 0.00 -1.26 0.00 0.00 59.98 59.45 1wg4 h ARG 37 Cb 0.49 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.71 1wg4 h ARG 37 CO -0.25 0.00 0.30 0.39 0.56 0.00 0.00 179.97 180.97 1wg4 n GLU 38 N -3.32 -0.04 0.00 0.04 -0.58 0.01 -0.99 120.64 115.76 1wg4 n GLU 38 Ca 0.19 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.74 1wg4 n GLU 38 Cb 1.29 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.72 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 -2.62 0.00 -2.71 0.62 0.00 -0.50 -4.96 120.51 110.35 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 0.74 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.19 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 0.62 4.86 3.69 0.00 0.00 -0.16 -4.94 105.19 109.26 1wg4 n GLY 40 Ca 0.00 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 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 1.29 6.82 -0.41 1.61 2.15 -1.26 -4.56 116.67 122.31 1wg4 s ASP 41 Ca 0.00 0.99 -0.20 0.00 0.43 0.00 0.00 52.55 53.76 1wg4 s ASP 41 Cb 0.00 -2.37 0.02 0.00 -0.30 0.00 0.00 42.92 40.27 1wg4 s ASP 41 CO 0.00 -0.18 0.61 -0.69 -0.17 0.00 0.00 175.17 174.74 1wg4 s VAL 42 N 1.29 4.88 -0.11 1.11 1.01 -1.26 -3.75 120.40 123.57 1wg4 s VAL 42 Ca 0.32 0.21 0.15 0.00 0.00 0.00 0.00 61.98 62.66 1wg4 s VAL 42 Cb -0.16 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 31.99 1wg4 s VAL 42 CO 0.13 -0.47 1.03 0.00 0.00 0.00 0.00 175.10 175.79 1wg4 s TYR 44 N -2.90 1.31 -0.19 0.00 6.14 -1.26 -4.98 117.35 115.47 1wg4 s TYR 44 Ca -0.01 -0.40 -0.04 0.00 0.64 0.00 0.00 57.07 57.27 1wg4 s TYR 44 Cb 0.08 -0.93 0.09 0.00 0.42 0.00 0.00 41.96 41.62 1wg4 s TYR 44 CO 0.79 -0.17 0.25 0.00 0.64 0.00 0.00 175.55 177.06 1wg4 s ALA 45 N 0.31 -0.42 -0.08 3.97 0.00 -1.26 -1.76 121.76 122.52 1wg4 s ALA 45 Ca -0.07 0.48 -0.05 0.00 0.00 0.00 0.00 51.96 52.32 1wg4 s ALA 45 Cb -0.12 -1.29 0.03 0.00 0.00 0.00 0.00 23.12 21.75 1wg4 s ALA 45 CO 0.02 -1.08 0.20 0.34 0.00 0.00 0.00 175.76 175.23 1wg4 s ASP 46 N 2.37 -0.20 0.11 0.00 -1.08 -0.11 -4.92 116.67 112.84 1wg4 s ASP 46 Ca 0.06 0.40 0.03 0.00 -0.52 0.00 0.00 52.55 52.53 1wg4 s ASP 46 Cb -0.15 0.34 -0.04 0.00 -1.46 0.00 0.00 42.92 41.62 1wg4 s ASP 46 CO -0.12 -0.12 0.16 0.54 0.52 0.00 0.00 175.17 176.16 1wg4 s VAL 47 N 0.72 4.84 0.21 1.11 0.11 -1.26 0.30 120.40 126.42 1wg4 s VAL 47 Ca -0.05 -0.76 0.11 0.00 -2.93 0.00 0.00 61.98 58.35 1wg4 s VAL 47 Cb -0.07 -3.41 -0.04 0.00 -1.53 0.00 0.00 36.38 31.33 1wg4 s VAL 47 CO -0.04 0.02 -0.19 -1.10 -3.33 0.00 0.00 175.10 170.46 1wg4 s GLN 48 N -2.76 1.69 1.12 1.54 -0.21 0.53 -4.91 119.66 116.65 1wg4 s GLN 48 Ca 0.32 -1.50 -0.16 0.00 0.02 0.00 0.00 55.36 54.04 1wg4 s GLN 48 Cb -0.12 -1.91 0.25 0.00 1.00 0.00 0.00 33.01 32.23 1wg4 s GLN 48 CO 0.25 0.40 1.09 -1.59 -2.12 0.00 0.00 175.29 173.31 1wg4 s LYS 49 N -2.87 -0.59 0.00 2.91 -2.85 -1.26 -2.70 119.74 112.37 1wg4 s LYS 49 Ca 0.23 0.27 0.00 0.00 -1.00 0.00 0.00 55.97 55.47 1wg4 s LYS 49 Cb -0.08 -1.64 0.00 0.00 -2.06 0.00 0.00 37.83 34.05 1wg4 s LYS 49 CO 0.12 -3.36 0.00 -3.47 0.10 0.00 0.00 175.35 168.74 1wg4 n ASP 50 N -4.57 0.00 0.00 0.03 2.03 -1.26 -3.01 116.55 109.77 1wg4 n ASP 50 Ca 0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.39 1wg4 n ASP 50 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 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 3.44 0.27 0.00 -1.24 -4.68 105.19 102.97 1wg4 n GLY 51 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 1.59 0.19 1.61 -1.94 -1.10 0.21 119.30 119.86 1wg4 s MET 52 Ca 0.00 -1.68 -0.06 0.00 -1.71 0.00 0.00 55.69 52.23 1wg4 s MET 52 Cb 0.00 -1.71 -0.02 0.00 2.01 0.00 0.00 34.83 35.11 1wg4 s MET 52 CO 0.00 0.33 0.25 0.20 -0.01 0.00 0.00 175.02 175.79 1wg4 s GLY 53 N -3.26 0.81 -0.22 -0.03 0.00 0.85 0.20 107.32 105.66 1wg4 s GLY 53 Ca 0.27 -1.18 -0.05 0.00 0.00 0.00 0.00 44.72 43.75 1wg4 s GLY 53 CO 0.13 -1.02 0.42 -0.29 0.00 0.00 0.00 173.10 172.34 1wg4 s MET 54 N -4.04 0.35 0.06 2.90 1.75 0.15 -1.33 119.30 119.13 1wg4 s MET 54 Ca 0.25 0.86 0.05 0.00 -1.25 0.00 0.00 55.69 55.60 1wg4 s MET 54 Cb 0.04 0.06 -0.03 0.00 2.84 0.00 0.00 34.83 37.75 1wg4 s MET 54 CO 0.05 -0.41 -0.14 0.14 -0.65 0.00 0.00 175.02 174.01 1wg4 s VAL 55 N 2.61 1.09 0.37 10.11 -7.23 -1.13 -0.94 120.40 125.28 1wg4 s VAL 55 Ca 0.05 -1.15 0.08 0.00 -1.81 0.00 0.00 61.98 59.15 1wg4 s VAL 55 Cb -0.13 -1.02 -0.05 0.00 0.56 0.00 0.00 36.38 35.73 1wg4 s VAL 55 CO -0.14 -0.12 0.09 -1.61 -0.31 0.00 0.00 175.10 173.00 1wg4 s GLU 56 N -1.45 2.16 0.02 4.82 2.02 -0.72 -0.74 118.70 124.80 1wg4 s GLU 56 Ca -0.01 -1.79 0.00 0.00 0.02 0.00 0.00 54.97 53.20 1wg4 s GLU 56 Cb -0.09 -1.95 -0.02 0.00 0.10 0.00 0.00 34.13 32.17 1wg4 s GLU 56 CO 0.02 0.03 -0.03 0.71 0.02 0.00 0.00 175.26 176.00 1wg4 s TYR 57 N -2.55 0.28 -1.97 1.61 2.02 -0.33 -3.71 117.35 112.69 1wg4 s TYR 57 Ca 0.37 -0.42 0.11 0.00 -0.37 0.00 0.00 57.07 56.77 1wg4 s TYR 57 Cb 0.02 -0.19 0.33 0.00 -0.40 0.00 0.00 41.96 41.72 1wg4 s TYR 57 CO 0.21 -0.14 1.27 1.28 -1.57 0.00 0.00 175.55 176.60 1wg4 n LEU 58 N 1.88 2.04 -3.79 -1.29 4.77 -1.25 -4.47 117.00 114.90 1wg4 n LEU 58 Ca -0.21 -1.02 -0.13 0.00 -0.03 0.00 0.00 56.01 54.62 1wg4 n LEU 58 Cb 0.56 -0.26 -0.13 0.00 -2.33 0.00 0.00 43.42 41.26 1wg4 n LEU 58 CO 0.21 0.50 -0.21 -0.13 -1.33 0.00 0.00 177.39 176.44 1wg4 s ARG 59 N -1.51 0.14 0.07 3.23 1.81 -1.26 -4.96 118.95 116.48 1wg4 s ARG 59 Ca 0.25 0.29 -0.32 0.00 -1.72 0.00 0.00 55.73 54.23 1wg4 s ARG 59 Cb 0.13 -0.03 -0.18 0.00 -0.45 0.00 0.00 34.95 34.42 1wg4 s ARG 59 CO 0.17 -0.08 1.62 -0.22 -0.68 0.00 0.00 175.30 176.11 1wg4 h LYS 60 N 6.51 -0.76 -0.51 3.54 3.64 -1.92 -2.68 116.57 124.38 1wg4 h LYS 60 Ca -0.33 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.21 1wg4 h LYS 60 Cb 1.17 0.17 -0.10 0.00 -0.41 0.00 0.00 32.23 33.07 1wg4 h LYS 60 CO 0.42 -0.50 -0.17 0.93 -2.27 0.00 0.00 179.45 177.85 1wg4 h GLU 61 N -0.81 -0.05 -0.87 1.90 5.08 -1.99 0.16 114.58 118.01 1wg4 h GLU 61 Ca -0.08 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.50 1wg4 h GLU 61 Cb 0.61 0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.72 1wg4 h GLU 61 CO 0.13 -0.03 0.09 -0.44 -1.00 0.00 0.00 179.01 177.76 1wg4 h ASP 62 N -0.05 -0.27 0.33 1.42 3.32 -1.87 1.37 116.42 120.67 1wg4 h ASP 62 Ca 0.25 0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.51 1wg4 h ASP 62 Cb 0.43 0.36 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 1wg4 h ASP 62 CO -0.56 -0.22 -0.31 -0.03 -1.72 0.00 0.00 179.24 176.40 1wg4 h MET 63 N 0.11 -0.61 -0.72 3.56 4.05 -0.36 0.26 114.93 121.22 1wg4 h MET 63 Ca 0.51 0.04 0.06 0.00 -0.28 0.00 0.00 59.70 60.03 1wg4 h MET 63 Cb 1.00 0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 31.89 1wg4 h MET 63 CO -0.74 -0.41 0.43 0.93 0.23 0.00 0.00 176.91 177.35 1wg4 h GLU 64 N -0.64 0.77 0.01 0.39 5.08 -0.79 0.20 114.58 119.60 1wg4 h GLU 64 Ca -0.04 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1wg4 h GLU 64 Cb 0.55 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1wg4 h GLU 64 CO -0.03 0.51 -0.20 -0.92 -1.00 0.00 0.00 179.01 177.37 1wg4 h TYR 65 N 0.79 -0.58 -0.92 4.33 5.03 0.20 0.25 116.97 126.08 1wg4 h TYR 65 Ca 0.32 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.71 1wg4 h TYR 65 Cb 0.16 0.25 -0.06 0.00 1.55 0.00 0.00 36.73 38.63 1wg4 h TYR 65 CO -0.06 -0.21 0.59 0.00 -1.32 0.00 0.00 178.16 177.16 1wg4 h ALA 66 N -1.12 1.51 -0.04 1.82 0.00 -0.81 0.66 119.26 121.28 1wg4 h ALA 66 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1wg4 h ALA 66 Cb 0.27 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1wg4 h ALA 66 CO -0.13 0.36 -0.48 -0.07 0.00 0.00 0.00 179.25 178.93 1wg4 h LEU 67 N 1.04 -1.47 0.13 0.00 3.38 0.31 0.50 115.31 119.20 1wg4 h LEU 67 Ca 0.40 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.53 1wg4 h LEU 67 Cb 0.20 0.57 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1wg4 h LEU 67 CO -0.15 -0.48 -0.06 0.03 0.09 0.00 0.00 178.44 177.87 1wg4 h ARG 68 N -0.60 -0.16 -0.60 1.13 2.47 0.06 0.54 114.38 117.22 1wg4 h ARG 68 Ca 0.04 0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.83 1wg4 h ARG 68 Cb 0.68 0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 28.97 1wg4 h ARG 68 CO -0.36 -0.11 -0.36 1.63 0.56 0.00 0.00 179.97 181.33 1wg4 n LYS 69 N -3.05 -0.27 0.38 0.04 4.01 0.22 -0.79 118.16 118.71 1wg4 n LYS 69 Ca -0.02 1.07 -0.16 0.00 -0.51 0.00 0.00 58.31 58.69 1wg4 n LYS 69 Cb 0.07 -1.58 -0.08 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 -0.84 0.00 -0.35 3.38 -0.12 -3.46 115.31 113.92 1wg4 h LEU 70 Ca 0.10 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1wg4 h LEU 70 Cb 0.25 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1wg4 h LEU 70 CO -0.57 -0.49 0.00 -0.67 0.09 0.00 0.00 178.44 176.81 1wg4 n ASP 71 N -5.45 0.00 -2.28 -0.43 -0.08 0.19 -3.51 116.55 104.99 1wg4 n ASP 71 Ca -0.13 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 1wg4 n ASP 71 Cb 0.40 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.86 1wg4 n ASP 71 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1wg4 n ASP 72 N 0.68 -9.26 -3.68 1.67 2.03 -1.10 -4.89 116.55 102.00 1wg4 n ASP 72 Ca 0.00 1.78 -0.11 0.00 0.52 0.00 0.00 54.79 56.97 1wg4 n ASP 72 Cb 0.00 -5.03 -0.06 0.00 -0.72 0.00 0.00 41.12 35.31 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 -0.57 0.07 -0.76 5.18 -4.23 -0.96 -4.93 115.64 109.44 1wg4 s THR 73 Ca 0.00 -0.59 -0.26 0.00 -1.18 0.00 0.00 61.69 59.66 1wg4 s THR 73 Cb 0.00 -1.07 0.04 0.00 1.34 0.00 0.00 72.50 72.81 1wg4 s THR 73 CO 0.00 -0.33 1.26 -0.75 -0.54 0.00 0.00 174.62 174.27 1wg4 s LYS 74 N -3.14 3.22 -0.21 3.99 2.20 -1.26 -1.83 119.74 122.72 1wg4 s LYS 74 Ca -0.01 -0.40 -0.23 0.00 -0.36 0.00 0.00 55.97 54.97 1wg4 s LYS 74 Cb 0.01 -4.31 -0.02 0.00 -1.51 0.00 0.00 37.83 32.01 1wg4 s LYS 74 CO -0.07 -2.12 0.73 0.12 -0.36 0.00 0.00 175.35 173.65 1wg4 s PHE 75 N 5.47 3.36 -0.37 4.03 5.36 0.37 -4.81 117.98 131.40 1wg4 s PHE 75 Ca 0.35 1.05 -0.23 0.00 -0.96 0.00 0.00 56.93 57.14 1wg4 s PHE 75 Cb -0.08 -2.92 0.01 0.00 -0.34 0.00 0.00 43.02 39.68 1wg4 s PHE 75 CO 0.12 -0.27 0.75 0.50 -1.46 0.00 0.00 175.22 174.86 1wg4 s ARG 76 N 2.28 3.71 0.85 10.12 3.52 -1.26 -1.29 118.95 136.89 1wg4 s ARG 76 Ca 0.32 0.23 -0.11 0.00 -0.13 0.00 0.00 55.73 56.04 1wg4 s ARG 76 Cb -0.16 -3.82 0.10 0.00 -1.56 0.00 0.00 34.95 29.52 1wg4 s ARG 76 CO 0.10 -0.84 1.09 -1.54 -0.81 0.00 0.00 175.30 173.30 1wg4 s SER 77 N 1.84 3.84 0.48 -2.12 1.04 0.28 -4.86 113.70 114.21 1wg4 s SER 77 Ca 0.30 1.60 0.32 0.00 0.48 0.00 0.00 55.95 58.65 1wg4 s SER 77 Cb -0.13 -2.29 1.64 0.00 0.10 0.00 0.00 66.02 65.34 1wg4 s SER 77 CO 0.17 -2.42 1.99 1.12 0.98 0.00 0.00 173.24 175.07 1wg4 h HIS 78 N -1.40 0.00 -0.32 5.02 -0.00 -1.86 0.28 115.15 116.88 1wg4 h HIS 78 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 1wg4 h HIS 78 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.67 1wg4 h HIS 78 CO 0.48 0.00 0.00 0.39 -0.00 0.00 0.00 177.93 178.80 1wg4 n GLU 79 N -2.70 2.07 0.00 5.12 -0.58 -1.26 -4.92 120.64 118.37 1wg4 n GLU 79 Ca -0.01 -1.62 0.00 0.00 -0.42 0.00 0.00 57.16 55.11 1wg4 n GLU 79 Cb 0.12 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 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 1.28 2.35 3.56 0.62 0.00 1.00 -5.00 105.19 109.00 1wg4 n GLY 80 Ca 0.17 -0.41 -0.52 0.00 0.00 0.00 0.00 46.02 45.26 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 0.87 -4.15 1.61 1.02 -1.26 -4.18 120.64 114.56 1wg4 n GLU 81 Ca 0.00 0.31 -0.30 0.00 -0.02 0.00 0.00 57.16 57.15 1wg4 n GLU 81 Cb 0.00 -1.85 -0.08 0.00 -0.02 0.00 0.00 31.44 29.49 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 0.08 3.92 0.23 2.62 -4.23 -1.26 0.10 115.64 117.10 1wg4 s THR 82 Ca 0.81 -1.02 -0.17 0.00 -1.18 0.00 0.00 61.69 60.13 1wg4 s THR 82 Cb -0.98 -2.86 0.02 0.00 1.34 0.00 0.00 72.50 70.02 1wg4 s THR 82 CO 0.51 0.12 0.55 -0.44 -0.54 0.00 0.00 174.62 174.82 1wg4 s SER 83 N -2.28 -0.21 -0.23 3.99 0.01 -0.41 -4.94 113.70 109.64 1wg4 s SER 83 Ca 0.25 -0.64 -0.11 0.00 1.31 0.00 0.00 55.95 56.76 1wg4 s SER 83 Cb -0.12 0.61 -0.05 0.00 0.21 0.00 0.00 66.02 66.68 1wg4 s SER 83 CO 0.17 -1.14 0.17 -0.31 0.41 0.00 0.00 173.24 172.55 1wg4 s TYR 84 N -3.93 3.34 -0.07 2.43 2.02 -1.26 0.14 117.35 120.03 1wg4 s TYR 84 Ca 0.14 0.28 0.05 0.00 -0.37 0.00 0.00 57.07 57.17 1wg4 s TYR 84 Cb -0.02 -2.27 -0.00 0.00 -0.40 0.00 0.00 41.96 39.27 1wg4 s TYR 84 CO 0.03 0.11 -0.23 0.96 -1.57 0.00 0.00 175.55 174.85 1wg4 s ILE 85 N 0.92 1.90 0.19 2.71 -4.36 -0.76 -4.45 121.20 117.34 1wg4 s ILE 85 Ca 0.09 -0.96 -0.12 0.00 -0.26 0.00 0.00 60.65 59.40 1wg4 s ILE 85 Cb -0.13 -1.63 -0.07 0.00 1.25 0.00 0.00 42.46 41.88 1wg4 s ILE 85 CO 0.03 0.53 0.54 -0.13 0.24 0.00 0.00 174.94 176.15 1wg4 s ARG 86 N 0.09 3.87 -0.22 0.37 3.00 0.17 -2.27 118.95 123.95 1wg4 s ARG 86 Ca -0.09 0.36 0.02 0.00 0.00 0.00 0.00 55.73 56.01 1wg4 s ARG 86 Cb -0.15 -2.79 0.04 0.00 0.00 0.00 0.00 34.95 32.06 1wg4 s ARG 86 CO 0.05 0.40 -0.14 0.08 0.00 0.00 0.00 175.30 175.69 1wg4 s VAL 87 N -1.64 2.07 0.05 3.52 1.01 -1.26 -2.62 120.40 121.52 1wg4 s VAL 87 Ca 0.42 -1.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 1wg4 s VAL 87 Cb -0.13 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1wg4 s VAL 87 CO 0.20 0.20 0.03 -0.72 0.00 0.00 0.00 175.10 174.81 1wg4 s TYR 88 N 1.20 0.37 1.02 5.22 1.13 -0.84 -4.62 117.35 120.83 1wg4 s TYR 88 Ca -0.03 -0.81 -0.16 0.00 -1.41 0.00 0.00 57.07 54.67 1wg4 s TYR 88 Cb -0.17 -0.26 0.20 0.00 -1.10 0.00 0.00 41.96 40.63 1wg4 s TYR 88 CO -0.08 -0.37 1.19 -1.25 -2.51 0.00 0.00 175.55 172.52 1wg4 s PRO 89 N -3.29 0.23 0.06 -3.49 0.04 -1.26 0.19 135.00 127.48 1wg4 s PRO 89 Ca 0.01 -0.05 -0.04 0.00 0.04 0.00 0.00 61.00 60.96 1wg4 s PRO 89 Cb 0.03 -1.76 -0.05 0.00 0.04 0.00 0.00 34.50 32.76 1wg4 s PRO 89 CO -0.08 -2.75 0.28 -2.00 0.04 0.00 0.00 177.00 172.49 1wg4 s GLU 90 N -5.52 3.54 0.24 4.56 2.12 -1.26 -4.60 118.70 117.78 1wg4 s GLU 90 Ca 0.69 -0.21 -0.13 0.00 0.36 0.00 0.00 54.97 55.68 1wg4 s GLU 90 Cb -0.10 -3.00 -0.08 0.00 0.26 0.00 0.00 34.13 31.22 1wg4 s GLU 90 CO 0.54 0.58 0.63 -0.98 -0.54 0.00 0.00 175.26 175.49 1wg4 s ARG 91 N -2.27 3.96 -0.29 4.30 1.70 -1.26 -5.07 118.95 120.01 1wg4 s ARG 91 Ca 0.34 0.51 -0.07 0.00 -0.47 0.00 0.00 55.73 56.04 1wg4 s ARG 91 Cb -0.13 -2.67 0.14 0.00 -0.57 0.00 0.00 34.95 31.73 1wg4 s ARG 91 CO 0.22 0.31 0.61 0.45 -1.08 0.00 0.00 175.30 175.81 1wg4 s SER 92 N -2.11 -1.08 -0.16 -2.89 0.15 -1.26 -5.16 113.70 101.20 1wg4 s SER 92 Ca 0.47 1.31 -0.35 0.00 0.70 0.00 0.00 55.95 58.09 1wg4 s SER 92 Cb -0.12 2.15 0.15 0.00 -1.71 0.00 0.00 66.02 66.48 1wg4 s SER 92 CO 0.20 -0.23 1.42 -0.94 1.20 0.00 0.00 173.24 174.88 1wg4 s SER 93 N 2.85 -0.01 -0.15 5.45 1.04 -1.26 -5.19 113.70 116.44 1wg4 s SER 93 Ca 0.01 -0.01 -0.29 0.00 0.48 0.00 0.00 55.95 56.14 1wg4 s SER 93 Cb -0.13 0.02 0.09 0.00 0.10 0.00 0.00 66.02 66.10 1wg4 s SER 93 CO -0.19 -0.03 0.81 -0.83 0.98 0.00 0.00 173.24 173.99 1wg4 s GLY 94 N -2.68 -0.44 -1.17 7.32 0.00 -1.26 -5.07 107.32 104.02 1wg4 s GLY 94 Ca 0.14 1.80 -0.19 0.00 0.00 0.00 0.00 44.72 46.46 1wg4 s GLY 94 CO -0.05 1.22 1.96 -1.55 0.00 0.00 0.00 173.10 174.68 1wg4 n PRO 95 N 1.33 2.28 -0.01 2.90 -0.04 -1.26 -4.39 135.00 135.81 1wg4 n PRO 95 Ca -0.15 -2.53 -0.04 0.00 -0.04 0.00 0.00 63.50 60.74 1wg4 n PRO 95 Cb 0.57 -3.34 -0.01 0.00 -0.04 0.00 0.00 33.50 30.67 1wg4 n PRO 95 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wg4 n SER 96 N 8.99 1.35 -3.78 3.54 7.64 -1.26 -5.13 113.62 124.98 1wg4 n SER 96 Ca 0.49 0.21 -0.06 0.00 1.01 0.00 0.00 58.87 60.51 1wg4 n SER 96 Cb 0.43 -0.50 -0.02 0.00 -1.01 0.00 0.00 64.21 63.12 1wg4 n SER 96 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wg4 s SER 97 N -5.82 -0.25 0.00 6.43 1.04 -1.26 -5.35 113.70 108.48 1wg4 s SER 97 Ca -0.12 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.84 1wg4 s SER 97 Cb 0.02 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1wg4 s SER 97 CO 0.18 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.88