#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 6.61 -0.13 1.61 0.15 -1.26 -5.03 113.70 115.65 1wg4 s SER 2 Ca 0.00 2.55 -0.07 0.00 0.70 0.00 0.00 55.95 59.13 1wg4 s SER 2 Cb 0.00 -2.64 0.05 0.00 -1.71 0.00 0.00 66.02 61.73 1wg4 s SER 2 CO 0.00 -0.63 0.31 -0.55 1.20 0.00 0.00 173.24 173.57 1wg4 s SER 3 N -0.76 -0.37 0.00 5.45 0.15 -1.26 -5.12 113.70 111.79 1wg4 s SER 3 Ca 0.53 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.85 1wg4 s SER 3 Cb -0.36 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 1wg4 s SER 3 CO 0.47 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.35 1wg4 n GLY 4 N 4.17 0.60 3.00 9.45 0.00 -1.26 -4.95 105.19 116.20 1wg4 n GLY 4 Ca -0.24 -2.09 -0.05 0.00 0.00 0.00 0.00 46.02 43.64 1wg4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg4 s SER 5 N -4.00 -0.77 0.02 1.61 0.01 -1.26 -5.07 113.70 104.24 1wg4 s SER 5 Ca 0.00 -1.22 -0.00 0.00 1.31 0.00 0.00 55.95 56.04 1wg4 s SER 5 Cb 0.00 1.53 0.00 0.00 0.21 0.00 0.00 66.02 67.76 1wg4 s SER 5 CO 0.00 -0.17 0.00 -0.24 0.41 0.00 0.00 173.24 173.24 1wg4 n SER 6 N 4.07 -9.19 0.00 2.44 2.88 -1.26 -5.02 113.62 107.54 1wg4 n SER 6 Ca 0.13 1.79 0.00 0.00 -1.33 0.00 0.00 58.87 59.46 1wg4 n SER 6 Cb 0.54 -5.05 0.00 0.00 -0.75 0.00 0.00 64.21 58.94 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 1.76 2.39 0.00 0.46 0.00 -1.26 -5.13 105.19 103.40 1wg4 n GLY 7 Ca -0.01 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 1.51 0.08 3.81 -0.02 0.00 -1.26 -4.94 105.19 104.38 1wg4 n GLY 8 Ca 0.00 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.25 3.23 -0.02 1.61 0.04 -1.26 -4.99 135.00 133.35 1wg4 s PRO 9 Ca 0.00 1.09 -0.30 0.00 0.04 0.00 0.00 61.00 61.83 1wg4 s PRO 9 Cb 0.00 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1wg4 s PRO 9 CO 0.00 -0.87 1.20 -1.25 0.04 0.00 0.00 177.00 176.12 1wg4 s PRO 10 N -4.44 4.37 -0.60 0.56 0.04 -1.26 -4.99 135.00 128.68 1wg4 s PRO 10 Ca 0.61 1.70 -0.18 0.00 0.04 0.00 0.00 61.00 63.18 1wg4 s PRO 10 Cb -0.15 -3.51 0.12 0.00 0.04 0.00 0.00 34.50 31.00 1wg4 s PRO 10 CO 0.43 -0.40 0.66 0.99 0.04 0.00 0.00 177.00 178.72 1wg4 s THR 11 N 1.93 4.98 -0.84 1.26 2.01 -1.26 -4.98 115.64 118.74 1wg4 s THR 11 Ca 0.57 -1.25 -0.03 0.00 0.31 0.00 0.00 61.69 61.29 1wg4 s THR 11 Cb -0.26 -4.45 0.21 0.00 0.01 0.00 0.00 72.50 68.01 1wg4 s THR 11 CO 0.24 -1.05 0.72 -0.13 -0.69 0.00 0.00 174.62 173.71 1wg4 s ARG 12 N 2.21 3.19 0.27 4.92 0.52 -1.26 -5.03 118.95 123.78 1wg4 s ARG 12 Ca 0.10 -3.06 0.01 0.00 -0.52 0.00 0.00 55.73 52.26 1wg4 s ARG 12 Cb -0.25 -3.97 -0.00 0.00 0.52 0.00 0.00 34.95 31.25 1wg4 s ARG 12 CO 0.04 -1.24 0.05 2.89 0.02 0.00 0.00 175.30 177.05 1wg4 n ARG 13 N 2.70 0.99 -1.49 3.54 -4.01 -1.26 -5.07 116.66 112.06 1wg4 n ARG 13 Ca 0.18 -2.11 -0.58 0.00 -1.04 0.00 0.00 57.85 54.30 1wg4 n ARG 13 Cb 0.38 0.86 -0.08 0.00 -3.04 0.00 0.00 32.46 30.58 1wg4 n ARG 13 CO 0.00 0.00 0.00 0.43 -3.04 0.00 0.00 177.63 175.02 1wg4 n SER 14 N -1.47 0.33 -3.92 2.89 7.64 -1.26 -4.80 113.62 113.02 1wg4 n SER 14 Ca -0.08 1.11 -0.43 0.00 1.01 0.00 0.00 58.87 60.48 1wg4 n SER 14 Cb 0.37 -0.86 0.01 0.00 -1.01 0.00 0.00 64.21 62.72 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 2.11 5.62 -3.15 6.43 8.00 -1.26 -4.79 116.55 129.51 1wg4 n ASP 15 Ca 0.22 -3.23 0.04 0.00 0.71 0.00 0.00 54.79 52.53 1wg4 n ASP 15 Cb 0.04 -1.40 -0.00 0.00 -0.02 0.00 0.00 41.12 39.74 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 -0.89 -1.62 0.42 1.24 0.08 -1.26 -4.98 117.98 110.97 1wg4 s PHE 16 Ca 0.36 1.00 0.03 0.00 0.12 0.00 0.00 56.93 58.45 1wg4 s PHE 16 Cb 0.08 0.30 -0.02 0.00 -0.57 0.00 0.00 43.02 42.80 1wg4 s PHE 16 CO 0.05 -0.94 0.11 -0.98 -0.10 0.00 0.00 175.22 173.36 1wg4 s ARG 17 N 2.85 1.97 -0.03 0.44 1.70 -1.26 0.44 118.95 125.05 1wg4 s ARG 17 Ca 0.13 -2.21 -0.01 0.00 -0.47 0.00 0.00 55.73 53.18 1wg4 s ARG 17 Cb -0.09 -0.74 0.03 0.00 -0.57 0.00 0.00 34.95 33.58 1wg4 s ARG 17 CO -0.25 -0.46 0.04 0.14 -1.08 0.00 0.00 175.30 173.69 1wg4 s VAL 18 N -3.16 -0.01 -0.07 4.99 -7.23 0.71 -4.68 120.40 110.94 1wg4 s VAL 18 Ca 0.21 0.28 -0.25 0.00 -1.81 0.00 0.00 61.98 60.41 1wg4 s VAL 18 Cb 0.02 -0.18 -0.03 0.00 0.56 0.00 0.00 36.38 36.76 1wg4 s VAL 18 CO 0.13 0.15 0.80 -0.76 -0.31 0.00 0.00 175.10 175.11 1wg4 s LEU 19 N 1.62 4.30 -0.08 1.32 2.01 0.16 -2.54 118.68 125.47 1wg4 s LEU 19 Ca -0.02 1.31 0.03 0.00 0.01 0.00 0.00 54.13 55.45 1wg4 s LEU 19 Cb -0.13 -3.24 -0.02 0.00 0.01 0.00 0.00 46.19 42.82 1wg4 s LEU 19 CO -0.03 -0.21 -0.16 -0.69 1.01 0.00 0.00 176.35 176.27 1wg4 s VAL 20 N 1.13 2.81 0.01 -1.59 1.01 0.15 -2.20 120.40 121.72 1wg4 s VAL 20 Ca 0.41 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 1wg4 s VAL 20 Cb -0.18 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 1wg4 s VAL 20 CO 0.19 0.56 0.07 -0.44 0.00 0.00 0.00 175.10 175.49 1wg4 s SER 21 N -0.15 0.11 0.00 3.32 0.01 -1.20 0.17 113.70 115.96 1wg4 s SER 21 Ca -0.02 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1wg4 s SER 21 Cb -0.14 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.26 1wg4 s SER 21 CO 0.04 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.95 1wg4 n GLY 22 N 1.51 0.61 3.93 3.44 0.00 0.44 -1.72 105.19 113.39 1wg4 n GLY 22 Ca -0.23 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.78 4.10 0.95 0.99 1.43 0.44 -3.65 118.68 122.16 1wg4 s LEU 23 Ca 0.00 0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 53.45 1wg4 s LEU 23 Cb 0.00 -3.31 0.16 0.00 0.03 0.00 0.00 46.19 43.07 1wg4 s LEU 23 CO 0.00 -0.19 1.16 -2.16 0.23 0.00 0.00 176.35 175.39 1wg4 s PRO 24 N -3.82 0.79 0.46 1.29 0.04 -1.26 -4.34 135.00 128.16 1wg4 s PRO 24 Ca 0.40 0.15 0.28 0.00 0.04 0.00 0.00 61.00 61.87 1wg4 s PRO 24 Cb -0.10 -1.81 0.87 0.00 0.04 0.00 0.00 34.50 33.50 1wg4 s PRO 24 CO 0.32 -2.41 1.80 -1.00 0.04 0.00 0.00 177.00 175.75 1wg4 h PRO 25 N -1.65 0.00 0.00 0.56 0.13 -1.98 -2.93 132.00 126.14 1wg4 h PRO 25 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 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 0.55 0.00 -0.76 0.43 -0.23 0.00 0.00 178.00 178.00 1wg4 n SER 26 N -2.98 0.75 -4.66 1.44 7.64 -1.26 -5.00 113.62 109.55 1wg4 n SER 26 Ca 0.02 -0.85 -0.40 0.00 1.01 0.00 0.00 58.87 58.65 1wg4 n SER 26 Cb 0.40 1.02 0.02 0.00 -1.01 0.00 0.00 64.21 64.64 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 1.37 0.14 2.66 0.23 0.00 -1.11 -4.24 105.19 104.25 1wg4 n GLY 27 Ca 0.03 0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.04 1.61 0.01 1.61 7.64 -1.26 -4.89 113.62 118.30 1wg4 n SER 28 Ca 0.09 -2.70 -0.17 0.00 1.01 0.00 0.00 58.87 57.10 1wg4 n SER 28 Cb 0.42 0.68 -0.14 0.00 -1.01 0.00 0.00 64.21 64.16 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 1.45 0.36 0.00 1.43 5.08 -1.95 -3.16 115.95 119.16 1wg4 h TRP 29 Ca -0.27 -0.26 0.00 0.00 1.08 0.00 0.00 58.89 59.44 1wg4 h TRP 29 Cb 0.96 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 27.10 1wg4 h TRP 29 CO 0.00 1.48 0.00 1.04 -1.28 0.00 0.00 178.44 179.68 1wg4 n GLN 30 N -3.36 0.00 -0.02 0.12 6.02 -1.26 0.17 117.38 119.04 1wg4 n GLN 30 Ca -0.24 0.79 -0.09 0.00 -0.01 0.00 0.00 57.00 57.45 1wg4 n GLN 30 Cb 1.05 -1.46 -0.03 0.00 1.02 0.00 0.00 30.24 30.82 1wg4 n GLN 30 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1wg4 h ASP 31 N 0.00 -0.31 -0.81 1.08 3.58 -1.94 -1.16 116.42 116.86 1wg4 h ASP 31 Ca 0.00 0.07 0.19 0.00 0.42 0.00 0.00 57.03 57.71 1wg4 h ASP 31 Cb 0.00 0.17 -0.14 0.00 1.72 0.00 0.00 39.33 41.08 1wg4 h ASP 31 CO 0.00 -0.13 0.03 0.25 -2.88 0.00 0.00 179.24 176.52 1wg4 h LEU 32 N -0.09 -0.33 0.02 2.28 6.46 -1.41 0.16 115.31 122.40 1wg4 h LEU 32 Ca 0.10 0.21 -0.00 0.00 -0.12 0.00 0.00 57.88 58.06 1wg4 h LEU 32 Cb 0.23 0.36 -0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1wg4 h LEU 32 CO -0.22 -0.20 -0.02 0.50 -0.62 0.00 0.00 178.44 177.88 1wg4 h LYS 33 N 0.11 -0.03 -1.17 1.25 3.64 0.29 0.62 116.57 121.27 1wg4 h LYS 33 Ca 0.45 0.00 0.44 0.00 -1.27 0.00 0.00 60.65 60.28 1wg4 h LYS 33 Cb 0.83 0.01 -0.16 0.00 -0.41 0.00 0.00 32.23 32.50 1wg4 h LYS 33 CO -0.70 -0.02 0.70 -3.47 -2.27 0.00 0.00 179.45 173.69 1wg4 n ASP 34 N -2.35 0.27 -0.04 4.20 -0.08 -0.67 0.25 116.55 118.13 1wg4 n ASP 34 Ca -0.00 1.49 -0.13 0.00 -1.51 0.00 0.00 54.79 54.64 1wg4 n ASP 34 Cb 0.02 -0.73 -0.07 0.00 2.34 0.00 0.00 41.12 42.68 1wg4 n ASP 34 CO 0.00 0.00 0.00 -0.74 0.12 0.00 0.00 177.20 176.58 1wg4 h HIS 35 N 0.00 0.27 -0.43 -0.67 2.76 0.23 -3.20 115.15 114.12 1wg4 h HIS 35 Ca 0.85 -0.07 -0.10 0.00 -2.20 0.00 0.00 60.37 58.85 1wg4 h HIS 35 Cb 2.49 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 31.38 1wg4 h HIS 35 CO -0.01 0.58 -0.13 0.52 -1.30 0.00 0.00 177.93 177.60 1wg4 h MET 36 N -0.11 0.84 -1.61 5.26 2.86 0.90 -2.86 114.93 120.21 1wg4 h MET 36 Ca 0.03 -0.34 0.47 0.00 -2.06 0.00 0.00 59.70 57.80 1wg4 h MET 36 Cb 0.51 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.07 1wg4 h MET 36 CO 0.02 0.97 1.33 0.54 1.06 0.00 0.00 176.91 180.83 1wg4 n ARG 37 N -4.27 0.01 -0.18 1.72 1.74 0.49 -0.95 116.66 115.22 1wg4 n ARG 37 Ca -0.01 1.04 0.17 0.00 -0.77 0.00 0.00 57.85 58.28 1wg4 n ARG 37 Cb 0.39 -2.48 0.31 0.00 -1.02 0.00 0.00 32.46 29.67 1wg4 n ARG 37 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1wg4 n GLU 38 N -3.64 -0.03 0.00 5.56 -0.58 -1.08 -0.77 120.64 120.10 1wg4 n GLU 38 Ca 0.36 0.78 0.00 0.00 -0.42 0.00 0.00 57.16 57.88 1wg4 n GLU 38 Cb 1.82 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 31.31 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 -2.66 0.00 -2.17 0.62 0.00 -0.12 -4.94 120.51 111.24 1wg4 n ALA 39 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1wg4 n ALA 39 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 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 -0.11 3.61 3.77 0.00 0.00 0.05 -4.92 105.19 107.59 1wg4 n GLY 40 Ca 0.00 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 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 6.55 -0.30 1.61 -1.08 -1.26 -4.68 116.67 118.97 1wg4 s ASP 41 Ca 0.00 0.65 -0.09 0.00 -0.52 0.00 0.00 52.55 52.59 1wg4 s ASP 41 Cb 0.00 -2.20 -0.01 0.00 -1.46 0.00 0.00 42.92 39.25 1wg4 s ASP 41 CO 0.00 0.18 0.14 -0.69 0.52 0.00 0.00 175.17 175.32 1wg4 s VAL 42 N -0.06 4.63 -0.13 1.11 1.01 -1.26 -3.80 120.40 121.89 1wg4 s VAL 42 Ca 0.19 -0.34 0.19 0.00 0.00 0.00 0.00 61.98 62.02 1wg4 s VAL 42 Cb -0.14 -3.32 -0.17 0.00 0.00 0.00 0.00 36.38 32.75 1wg4 s VAL 42 CO 0.07 0.12 0.67 0.00 0.00 0.00 0.00 175.10 175.96 1wg4 s TYR 44 N -3.07 1.21 -0.23 0.00 6.14 -1.23 -4.75 117.35 115.43 1wg4 s TYR 44 Ca -0.05 -0.28 -0.04 0.00 0.64 0.00 0.00 57.07 57.33 1wg4 s TYR 44 Cb 0.10 -0.81 0.12 0.00 0.42 0.00 0.00 41.96 41.78 1wg4 s TYR 44 CO 0.83 -0.08 0.41 0.00 0.64 0.00 0.00 175.55 177.35 1wg4 s ALA 45 N -0.05 -1.19 0.07 3.97 0.00 -1.26 -2.32 121.76 120.98 1wg4 s ALA 45 Ca 0.00 1.23 -0.07 0.00 0.00 0.00 0.00 51.96 53.13 1wg4 s ALA 45 Cb -0.08 -1.55 -0.01 0.00 0.00 0.00 0.00 23.12 21.48 1wg4 s ALA 45 CO 0.00 -1.04 0.14 0.34 0.00 0.00 0.00 175.76 175.20 1wg4 s ASP 46 N 2.60 0.18 0.00 0.00 2.15 -0.59 -5.00 116.67 116.02 1wg4 s ASP 46 Ca 0.07 -0.67 0.00 0.00 0.43 0.00 0.00 52.55 52.38 1wg4 s ASP 46 Cb -0.14 0.30 -0.00 0.00 -0.30 0.00 0.00 42.92 42.78 1wg4 s ASP 46 CO -0.15 -0.66 -0.01 0.54 -0.17 0.00 0.00 175.17 174.72 1wg4 s VAL 47 N -3.61 0.09 0.29 1.11 0.11 -1.26 -1.35 120.40 115.79 1wg4 s VAL 47 Ca 0.03 -0.11 0.08 0.00 -2.93 0.00 0.00 61.98 59.06 1wg4 s VAL 47 Cb 0.04 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.76 1wg4 s VAL 47 CO -0.09 -0.01 0.14 -1.10 -3.33 0.00 0.00 175.10 170.70 1wg4 s GLN 48 N -0.12 2.55 1.19 1.54 -0.21 -0.72 -4.96 119.66 118.93 1wg4 s GLN 48 Ca -0.01 -1.34 -0.20 0.00 0.02 0.00 0.00 55.36 53.83 1wg4 s GLN 48 Cb -0.01 -2.32 0.30 0.00 1.00 0.00 0.00 33.01 31.98 1wg4 s GLN 48 CO -0.00 0.26 0.80 0.36 -2.12 0.00 0.00 175.29 174.59 1wg4 n LYS 49 N -1.12 -3.93 0.00 2.91 2.85 -1.26 -2.70 118.16 114.90 1wg4 n LYS 49 Ca -0.05 -1.32 0.00 0.00 -1.05 0.00 0.00 58.31 55.89 1wg4 n LYS 49 Cb 0.59 -1.54 0.00 0.00 -0.65 0.00 0.00 35.03 33.43 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 -5.15 0.00 0.00 -5.58 -0.08 -1.26 -2.91 116.55 101.57 1wg4 n ASP 50 Ca 0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 1wg4 n ASP 50 Cb 0.51 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.97 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 3.78 0.27 0.00 -1.24 -4.68 105.19 103.32 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 2.45 0.16 1.61 -1.94 -1.10 0.17 119.30 120.64 1wg4 s MET 52 Ca 0.00 -1.53 -0.21 0.00 -1.71 0.00 0.00 55.69 52.23 1wg4 s MET 52 Cb 0.00 -2.24 0.06 0.00 2.01 0.00 0.00 34.83 34.66 1wg4 s MET 52 CO 0.00 0.04 0.56 0.20 -0.01 0.00 0.00 175.02 175.81 1wg4 s GLY 53 N -3.92 -0.50 -0.19 -0.03 0.00 0.45 -1.75 107.32 101.38 1wg4 s GLY 53 Ca 0.40 0.31 -0.11 0.00 0.00 0.00 0.00 44.72 45.32 1wg4 s GLY 53 CO 0.24 0.03 0.47 -0.29 0.00 0.00 0.00 173.10 173.56 1wg4 s MET 54 N -3.77 0.47 0.01 2.90 1.75 -0.46 -0.67 119.30 119.52 1wg4 s MET 54 Ca 0.02 0.87 0.00 0.00 -1.25 0.00 0.00 55.69 55.33 1wg4 s MET 54 Cb -0.01 0.03 -0.01 0.00 2.84 0.00 0.00 34.83 37.69 1wg4 s MET 54 CO -0.12 -0.15 -0.02 0.14 -0.65 0.00 0.00 175.02 174.22 1wg4 s VAL 55 N 1.35 0.14 -0.03 10.11 -7.23 -1.05 -1.54 120.40 122.16 1wg4 s VAL 55 Ca -0.09 -0.28 0.06 0.00 -1.81 0.00 0.00 61.98 59.86 1wg4 s VAL 55 Cb -0.07 -0.17 -0.02 0.00 0.56 0.00 0.00 36.38 36.68 1wg4 s VAL 55 CO -0.13 -0.09 -0.21 -1.61 -0.31 0.00 0.00 175.10 172.75 1wg4 s GLU 56 N -0.39 2.24 0.41 4.82 2.02 -0.98 -0.21 118.70 126.61 1wg4 s GLU 56 Ca -0.03 -0.85 0.08 0.00 0.02 0.00 0.00 54.97 54.18 1wg4 s GLU 56 Cb -0.03 -2.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.99 1wg4 s GLU 56 CO -0.00 0.58 0.25 0.71 0.02 0.00 0.00 175.26 176.82 1wg4 s TYR 57 N -0.68 2.66 -0.17 1.61 2.02 0.17 -2.49 117.35 120.47 1wg4 s TYR 57 Ca 0.11 -0.53 0.05 0.00 -0.37 0.00 0.00 57.07 56.33 1wg4 s TYR 57 Cb -0.10 -2.01 -0.22 0.00 -0.40 0.00 0.00 41.96 39.23 1wg4 s TYR 57 CO -0.00 0.09 0.14 1.28 -1.57 0.00 0.00 175.55 175.49 1wg4 n LEU 58 N -1.34 1.84 -4.72 -1.29 4.32 -1.25 -4.47 117.00 110.09 1wg4 n LEU 58 Ca 0.00 0.08 -0.35 0.00 -0.02 0.00 0.00 56.01 55.72 1wg4 n LEU 58 Cb 0.63 -0.45 -0.09 0.00 -1.62 0.00 0.00 43.42 41.89 1wg4 n LEU 58 CO 0.44 0.72 -0.28 -0.13 -1.22 0.00 0.00 177.39 176.93 1wg4 s ARG 59 N -2.54 3.14 0.08 3.23 1.81 -1.26 -4.88 118.95 118.53 1wg4 s ARG 59 Ca -0.21 -0.35 -0.32 0.00 -1.72 0.00 0.00 55.73 53.13 1wg4 s ARG 59 Cb 0.08 -2.90 -0.17 0.00 -0.45 0.00 0.00 34.95 31.51 1wg4 s ARG 59 CO 0.73 0.69 1.62 -0.22 -0.68 0.00 0.00 175.30 177.45 1wg4 h LYS 60 N 5.22 -0.81 -0.67 3.54 3.64 -1.93 -2.66 116.57 122.90 1wg4 h LYS 60 Ca -0.51 0.06 0.12 0.00 -1.27 0.00 0.00 60.65 59.05 1wg4 h LYS 60 Cb 1.20 0.18 -0.13 0.00 -0.41 0.00 0.00 32.23 33.08 1wg4 h LYS 60 CO 0.56 -0.54 -0.29 0.93 -2.27 0.00 0.00 179.45 177.84 1wg4 h GLU 61 N -0.84 -0.09 -1.09 1.90 5.08 -1.99 0.97 114.58 118.51 1wg4 h GLU 61 Ca -0.06 0.01 0.31 0.00 -1.00 0.00 0.00 59.36 58.61 1wg4 h GLU 61 Cb 0.68 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.84 1wg4 h GLU 61 CO 0.06 -0.06 0.69 -0.44 -1.00 0.00 0.00 179.01 178.26 1wg4 h ASP 62 N -0.10 0.43 0.20 1.42 3.32 -1.85 0.68 116.42 120.53 1wg4 h ASP 62 Ca 0.28 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 1wg4 h ASP 62 Cb 0.55 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1wg4 h ASP 62 CO -0.73 -0.00 -0.10 -0.03 -1.72 0.00 0.00 179.24 176.66 1wg4 h MET 63 N 0.33 -0.26 -0.99 3.56 4.05 0.13 -2.18 114.93 119.57 1wg4 h MET 63 Ca 0.67 0.02 0.16 0.00 -0.28 0.00 0.00 59.70 60.27 1wg4 h MET 63 Cb 1.74 0.06 -0.09 0.00 -0.80 0.00 0.00 31.60 32.50 1wg4 h MET 63 CO -0.39 -0.17 0.62 0.93 0.23 0.00 0.00 176.91 178.13 1wg4 h GLU 64 N -0.30 0.79 0.01 0.39 5.08 -0.81 0.70 114.58 120.43 1wg4 h GLU 64 Ca -0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1wg4 h GLU 64 Cb 0.21 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1wg4 h GLU 64 CO 0.05 0.52 -0.08 -0.92 -1.00 0.00 0.00 179.01 177.58 1wg4 h TYR 65 N 0.82 -0.23 -0.90 4.33 5.03 0.38 0.24 116.97 126.63 1wg4 h TYR 65 Ca 0.54 0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.95 1wg4 h TYR 65 Cb 0.77 0.10 -0.07 0.00 1.55 0.00 0.00 36.73 39.08 1wg4 h TYR 65 CO -0.00 -0.09 0.58 0.00 -1.32 0.00 0.00 178.16 177.33 1wg4 h ALA 66 N -1.38 1.65 -0.02 1.82 0.00 -1.05 0.68 119.26 120.95 1wg4 h ALA 66 Ca 0.00 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1wg4 h ALA 66 Cb 0.11 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1wg4 h ALA 66 CO -0.05 0.17 -0.45 -0.07 0.00 0.00 0.00 179.25 178.85 1wg4 h LEU 67 N 0.87 -1.38 0.12 0.00 3.38 -0.07 0.47 115.31 118.71 1wg4 h LEU 67 Ca 0.42 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.55 1wg4 h LEU 67 Cb 0.43 0.54 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1wg4 h LEU 67 CO -0.18 -0.47 -0.06 0.03 0.09 0.00 0.00 178.44 177.85 1wg4 h ARG 68 N -0.59 -0.15 -0.75 1.13 2.47 0.26 0.63 114.38 117.38 1wg4 h ARG 68 Ca 0.04 0.01 0.07 0.00 -1.26 0.00 0.00 59.98 58.84 1wg4 h ARG 68 Cb 0.67 0.03 -0.09 0.00 -1.65 0.00 0.00 29.97 28.93 1wg4 h ARG 68 CO -0.34 -0.10 -0.44 1.63 0.56 0.00 0.00 179.97 181.27 1wg4 n LYS 69 N -3.11 -0.33 0.25 0.04 4.01 0.23 -1.16 118.16 118.09 1wg4 n LYS 69 Ca -0.02 1.14 -0.10 0.00 -0.51 0.00 0.00 58.31 58.81 1wg4 n LYS 69 Cb 0.06 -1.67 -0.05 0.00 -0.51 0.00 0.00 35.03 32.86 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 -0.58 0.00 -0.35 3.38 -0.18 -3.47 115.31 114.12 1wg4 h LEU 70 Ca 0.12 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1wg4 h LEU 70 Cb 0.31 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1wg4 h LEU 70 CO -0.71 -0.26 0.00 -0.67 0.09 0.00 0.00 178.44 176.89 1wg4 n ASP 71 N -4.67 0.00 -2.34 -0.43 2.03 0.22 -3.68 116.55 107.68 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 0.27 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.65 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 1.21 -5.82 -4.11 1.67 -0.08 -1.20 -4.85 116.55 103.37 1wg4 n ASP 72 Ca 0.00 1.55 -0.14 0.00 -1.51 0.00 0.00 54.79 54.69 1wg4 n ASP 72 Cb 0.00 -4.93 -0.10 0.00 2.34 0.00 0.00 41.12 38.44 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 -0.58 0.13 -0.61 5.18 -4.23 -0.27 -4.96 115.64 110.30 1wg4 s THR 73 Ca -0.10 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.23 1wg4 s THR 73 Cb 0.01 -2.52 0.11 0.00 1.34 0.00 0.00 72.50 71.44 1wg4 s THR 73 CO 0.27 0.00 0.70 -0.75 -0.54 0.00 0.00 174.62 174.30 1wg4 s LYS 74 N -4.03 3.08 0.04 3.99 2.20 -1.26 -1.98 119.74 121.78 1wg4 s LYS 74 Ca 0.39 -1.45 -0.21 0.00 -0.36 0.00 0.00 55.97 54.34 1wg4 s LYS 74 Cb 0.06 -4.30 -0.06 0.00 -1.51 0.00 0.00 37.83 32.02 1wg4 s LYS 74 CO 0.15 -1.51 0.62 0.12 -0.36 0.00 0.00 175.35 174.36 1wg4 s PHE 75 N 2.42 3.75 -0.21 4.03 5.36 0.13 -4.88 117.98 128.58 1wg4 s PHE 75 Ca 0.11 1.29 -0.02 0.00 -0.96 0.00 0.00 56.93 57.35 1wg4 s PHE 75 Cb -0.24 -2.61 0.00 0.00 -0.34 0.00 0.00 43.02 39.84 1wg4 s PHE 75 CO 0.04 0.43 -0.09 0.50 -1.46 0.00 0.00 175.22 174.64 1wg4 s ARG 76 N -0.55 3.25 1.11 10.12 3.52 -1.26 -0.35 118.95 134.79 1wg4 s ARG 76 Ca 0.32 -0.69 -0.15 0.00 -0.13 0.00 0.00 55.73 55.07 1wg4 s ARG 76 Cb -0.19 -2.87 0.24 0.00 -1.56 0.00 0.00 34.95 30.57 1wg4 s ARG 76 CO 0.19 -0.20 1.09 -1.54 -0.81 0.00 0.00 175.30 174.03 1wg4 s SER 77 N 1.41 1.68 0.05 -2.12 1.04 0.42 -4.88 113.70 111.29 1wg4 s SER 77 Ca 0.05 0.97 0.21 0.00 0.48 0.00 0.00 55.95 57.66 1wg4 s SER 77 Cb -0.14 -1.48 0.87 0.00 0.10 0.00 0.00 66.02 65.37 1wg4 s SER 77 CO -0.06 -3.69 1.66 0.00 0.98 0.00 0.00 173.24 172.12 1wg4 n HIS 78 N -4.52 0.16 1.03 5.02 1.44 -1.26 -1.87 115.22 115.23 1wg4 n HIS 78 Ca 0.08 0.06 0.12 0.00 -2.01 0.00 0.00 57.72 55.97 1wg4 n HIS 78 Cb 0.58 -0.59 0.24 0.00 0.12 0.00 0.00 29.99 30.34 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 -1.64 0.12 0.00 -1.40 -0.58 -1.26 -4.93 120.64 110.94 1wg4 n GLU 79 Ca 0.05 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1wg4 n GLU 79 Cb 0.25 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 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 1.48 2.93 3.45 0.62 0.00 -0.78 -5.06 105.19 107.83 1wg4 n GLY 80 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.96 -0.04 -4.34 1.61 1.02 -1.26 -4.58 120.64 112.10 1wg4 n GLU 81 Ca 0.00 0.04 -0.22 0.00 -0.02 0.00 0.00 57.16 56.96 1wg4 n GLU 81 Cb 0.00 -1.88 -0.13 0.00 -0.02 0.00 0.00 31.44 29.41 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 -2.19 1.41 0.19 2.62 -4.23 -1.26 -0.43 115.64 111.75 1wg4 s THR 82 Ca 0.61 -1.29 -0.16 0.00 -1.18 0.00 0.00 61.69 59.67 1wg4 s THR 82 Cb -0.27 -1.29 0.02 0.00 1.34 0.00 0.00 72.50 72.31 1wg4 s THR 82 CO 0.63 -0.03 0.49 -0.44 -0.54 0.00 0.00 174.62 174.72 1wg4 s SER 83 N -1.54 -0.21 -0.28 3.99 0.01 0.52 -4.93 113.70 111.26 1wg4 s SER 83 Ca 0.03 -0.55 -0.08 0.00 1.31 0.00 0.00 55.95 56.66 1wg4 s SER 83 Cb -0.09 0.56 -0.01 0.00 0.21 0.00 0.00 66.02 66.68 1wg4 s SER 83 CO 0.03 -1.03 0.11 -0.31 0.41 0.00 0.00 173.24 172.44 1wg4 s TYR 84 N -3.89 3.14 -0.10 2.43 1.51 -1.24 0.18 117.35 119.37 1wg4 s TYR 84 Ca 0.11 -0.59 0.02 0.00 -1.01 0.00 0.00 57.07 55.59 1wg4 s TYR 84 Cb -0.00 -2.29 -0.02 0.00 -0.11 0.00 0.00 41.96 39.54 1wg4 s TYR 84 CO -0.02 -0.44 -0.15 0.96 -1.11 0.00 0.00 175.55 174.79 1wg4 s ILE 85 N 1.59 2.92 0.29 2.71 -4.36 -0.84 -4.39 121.20 119.12 1wg4 s ILE 85 Ca 0.05 -0.73 0.00 0.00 -0.26 0.00 0.00 60.65 59.71 1wg4 s ILE 85 Cb -0.16 -2.19 -0.04 0.00 1.25 0.00 0.00 42.46 41.32 1wg4 s ILE 85 CO 0.04 0.55 0.48 -0.13 0.24 0.00 0.00 174.94 176.13 1wg4 s ARG 86 N 0.01 3.50 -0.13 0.37 3.00 -0.70 -1.12 118.95 123.89 1wg4 s ARG 86 Ca -0.05 -0.36 -0.00 0.00 0.00 0.00 0.00 55.73 55.32 1wg4 s ARG 86 Cb -0.14 -2.74 0.02 0.00 0.00 0.00 0.00 34.95 32.09 1wg4 s ARG 86 CO 0.04 0.26 -0.11 0.08 0.00 0.00 0.00 175.30 175.58 1wg4 s VAL 87 N -2.13 1.27 0.06 3.52 1.01 -1.26 -3.25 120.40 119.61 1wg4 s VAL 87 Ca 0.39 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.75 1wg4 s VAL 87 Cb -0.10 -1.23 0.04 0.00 0.00 0.00 0.00 36.38 35.08 1wg4 s VAL 87 CO 0.33 0.41 0.42 -0.72 0.00 0.00 0.00 175.10 175.53 1wg4 s TYR 88 N 1.60 -0.26 0.93 5.22 1.13 -0.93 -4.58 117.35 120.45 1wg4 s TYR 88 Ca 0.05 0.18 -0.13 0.00 -1.41 0.00 0.00 57.07 55.75 1wg4 s TYR 88 Cb -0.13 0.23 0.15 0.00 -1.10 0.00 0.00 41.96 41.12 1wg4 s TYR 88 CO -0.09 -0.60 1.15 -1.25 -2.51 0.00 0.00 175.55 172.25 1wg4 s PRO 89 N -2.73 0.96 0.68 -3.49 0.04 -1.26 0.41 135.00 129.60 1wg4 s PRO 89 Ca -0.04 0.22 0.03 0.00 0.04 0.00 0.00 61.00 61.25 1wg4 s PRO 89 Cb -0.00 -1.82 0.12 0.00 0.04 0.00 0.00 34.50 32.83 1wg4 s PRO 89 CO -0.04 -2.31 0.93 -1.21 0.04 0.00 0.00 177.00 174.41 1wg4 s GLU 90 N -5.33 1.86 -0.08 4.56 0.41 -1.26 -4.76 118.70 114.11 1wg4 s GLU 90 Ca 0.65 -1.31 -0.00 0.00 -0.41 0.00 0.00 54.97 53.90 1wg4 s GLU 90 Cb -0.14 -2.44 0.02 0.00 -1.78 0.00 0.00 34.13 29.80 1wg4 s GLU 90 CO 0.53 -1.27 -0.05 0.50 -0.49 0.00 0.00 175.26 174.48 1wg4 s ARG 91 N -4.99 1.13 -0.15 1.61 6.06 -1.26 -5.12 118.95 116.23 1wg4 s ARG 91 Ca 0.65 -0.13 0.01 0.00 -2.50 0.00 0.00 55.73 53.76 1wg4 s ARG 91 Cb -0.05 -1.23 0.02 0.00 0.06 0.00 0.00 34.95 33.75 1wg4 s ARG 91 CO 0.43 -0.20 -0.17 -1.54 -2.50 0.00 0.00 175.30 171.31 1wg4 s SER 92 N 1.50 2.84 -0.12 -2.12 1.04 -1.26 -5.11 113.70 110.47 1wg4 s SER 92 Ca -0.01 -0.54 -0.08 0.00 0.48 0.00 0.00 55.95 55.80 1wg4 s SER 92 Cb -0.13 -1.29 0.04 0.00 0.10 0.00 0.00 66.02 64.74 1wg4 s SER 92 CO -0.04 -0.01 0.30 -0.44 0.98 0.00 0.00 173.24 174.03 1wg4 s SER 93 N 1.28 -0.33 0.00 7.02 0.01 -1.26 -5.14 113.70 115.27 1wg4 s SER 93 Ca 0.02 0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.91 1wg4 s SER 93 Cb -0.13 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1wg4 s SER 93 CO -0.09 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1wg4 n GLY 94 N 3.63 3.27 0.16 3.44 0.00 -1.26 -5.04 105.19 109.39 1wg4 n GLY 94 Ca -0.19 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 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 0.51 0.00 1.61 0.13 -2.03 -3.48 132.00 128.74 1wg4 h PRO 95 Ca 0.00 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1wg4 h PRO 95 Cb 0.00 0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.26 1wg4 h PRO 95 CO 0.00 1.13 0.00 0.45 -0.23 0.00 0.00 178.00 179.35 1wg4 n SER 96 N -4.15 -1.24 -4.80 1.44 2.88 -1.26 -5.13 113.62 101.36 1wg4 n SER 96 Ca -0.10 0.52 -0.39 0.00 -1.33 0.00 0.00 58.87 57.57 1wg4 n SER 96 Cb 0.69 1.43 -0.06 0.00 -0.75 0.00 0.00 64.21 65.52 1wg4 n SER 96 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wg4 s SER 97 N -2.00 7.17 0.00 -3.46 0.15 -1.26 -5.26 113.70 109.04 1wg4 s SER 97 Ca 0.00 1.39 0.00 0.00 0.70 0.00 0.00 55.95 58.04 1wg4 s SER 97 Cb 0.00 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 1wg4 s SER 97 CO 0.00 0.25 0.32 0.61 1.20 0.00 0.00 173.24 175.62