#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 -7.40 -4.06 1.61 2.88 -1.26 -5.07 113.62 100.32 1wg4 n SER 2 Ca 0.00 1.03 -0.10 0.00 -1.33 0.00 0.00 58.87 58.47 1wg4 n SER 2 Cb 0.00 -3.91 -0.11 0.00 -0.75 0.00 0.00 64.21 59.44 1wg4 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wg4 s SER 3 N -0.85 0.62 0.00 -3.46 0.15 -1.26 -5.08 113.70 103.81 1wg4 s SER 3 Ca 0.00 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 55.96 1wg4 s SER 3 Cb 0.00 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1wg4 s SER 3 CO 0.00 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.69 1wg4 n GLY 4 N 1.00 0.05 2.72 9.45 0.00 -1.26 -4.95 105.19 112.21 1wg4 n GLY 4 Ca -0.20 -1.68 -0.28 0.00 0.00 0.00 0.00 46.02 43.86 1wg4 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wg4 s SER 5 N -4.00 3.24 0.04 1.61 1.04 -1.26 -5.11 113.70 109.26 1wg4 s SER 5 Ca 0.00 -1.06 -0.28 0.00 0.48 0.00 0.00 55.95 55.09 1wg4 s SER 5 Cb 0.00 -0.64 0.09 0.00 0.10 0.00 0.00 66.02 65.58 1wg4 s SER 5 CO 0.00 -0.34 1.02 -0.55 0.98 0.00 0.00 173.24 174.35 1wg4 s SER 6 N 1.82 -0.21 0.63 7.02 0.15 -1.26 -5.17 113.70 116.69 1wg4 s SER 6 Ca 0.02 -0.19 -0.14 0.00 0.70 0.00 0.00 55.95 56.35 1wg4 s SER 6 Cb -0.17 0.36 -0.02 0.00 -1.71 0.00 0.00 66.02 64.48 1wg4 s SER 6 CO -0.15 -0.64 1.05 -0.83 1.20 0.00 0.00 173.24 173.87 1wg4 s GLY 7 N -2.73 1.91 0.00 9.45 0.00 -1.26 -5.04 107.32 109.65 1wg4 s GLY 7 Ca 0.10 0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.04 1wg4 s GLY 7 CO -0.03 0.52 0.00 0.61 0.00 0.00 0.00 173.10 174.20 1wg4 n GLY 8 N -1.55 3.85 3.81 0.20 0.00 -1.26 -5.16 105.19 105.07 1wg4 n GLY 8 Ca 0.08 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 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 3.24 3.48 0.62 1.61 0.04 -1.26 -5.03 135.00 137.68 1wg4 s PRO 9 Ca 0.00 1.20 -0.14 0.00 0.04 0.00 0.00 61.00 62.10 1wg4 s PRO 9 Cb 0.00 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 1wg4 s PRO 9 CO 0.00 -0.68 1.05 -1.25 0.04 0.00 0.00 177.00 176.16 1wg4 s PRO 10 N -3.94 3.26 0.26 0.56 0.04 -1.26 -4.87 135.00 129.06 1wg4 s PRO 10 Ca 0.64 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1wg4 s PRO 10 Cb -0.15 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1wg4 s PRO 10 CO 0.33 -0.85 0.00 -2.37 0.04 0.00 0.00 177.00 174.15 1wg4 n THR 11 N -2.33 0.00 -0.33 1.26 5.66 -1.26 -4.98 114.28 112.29 1wg4 n THR 11 Ca 0.08 0.21 0.00 0.00 -3.05 0.00 0.00 64.05 61.29 1wg4 n THR 11 Cb 0.53 -0.50 0.00 0.00 -1.55 0.00 0.00 70.33 68.81 1wg4 n THR 11 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1wg4 n ARG 12 N -3.19 3.22 -3.77 1.09 0.00 -1.26 -5.16 116.66 107.59 1wg4 n ARG 12 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.74 1wg4 n ARG 12 Cb 0.61 0.00 0.02 0.00 -0.00 0.00 0.00 32.46 33.09 1wg4 n ARG 12 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1wg4 n ARG 13 N 0.00 1.07 0.00 2.89 0.00 -1.26 -4.92 116.66 114.44 1wg4 n ARG 13 Ca 0.00 -2.28 0.00 0.00 -0.00 0.00 0.00 57.85 55.57 1wg4 n ARG 13 Cb 0.00 2.75 0.00 0.00 -0.00 0.00 0.00 32.46 35.21 1wg4 n ARG 13 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1wg4 n SER 14 N -1.54 0.00 0.00 2.89 7.64 -1.26 -5.09 113.62 116.26 1wg4 n SER 14 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1wg4 n SER 14 Cb 0.59 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 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 -2.12 0.00 -4.59 6.43 2.03 -1.26 -5.09 116.55 111.94 1wg4 n ASP 15 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1wg4 n ASP 15 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 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 0.00 2.65 0.38 -0.67 0.08 -1.26 -4.97 117.98 114.18 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 -4.47 -0.07 0.00 -0.57 0.00 0.00 43.02 37.92 1wg4 s PHE 16 CO 0.00 -1.52 0.04 -0.98 -0.10 0.00 0.00 175.22 172.65 1wg4 s ARG 17 N 4.80 1.83 -0.07 0.44 1.70 -1.26 0.29 118.95 126.68 1wg4 s ARG 17 Ca 0.47 -2.04 -0.01 0.00 -0.47 0.00 0.00 55.73 53.69 1wg4 s ARG 17 Cb -0.08 -1.25 0.03 0.00 -0.57 0.00 0.00 34.95 33.08 1wg4 s ARG 17 CO 0.29 -0.14 -0.03 0.14 -1.08 0.00 0.00 175.30 174.48 1wg4 s VAL 18 N -3.00 0.56 -0.11 4.99 -7.23 0.87 -4.46 120.40 112.02 1wg4 s VAL 18 Ca 0.34 -0.02 -0.28 0.00 -1.81 0.00 0.00 61.98 60.21 1wg4 s VAL 18 Cb 0.09 -0.65 -0.02 0.00 0.56 0.00 0.00 36.38 36.36 1wg4 s VAL 18 CO 0.16 0.28 0.91 -0.76 -0.31 0.00 0.00 175.10 175.38 1wg4 s LEU 19 N 1.68 4.25 -0.09 1.32 1.43 0.33 -2.54 118.68 125.06 1wg4 s LEU 19 Ca 0.01 1.40 0.00 0.00 -1.03 0.00 0.00 54.13 54.51 1wg4 s LEU 19 Cb -0.13 -3.40 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 1wg4 s LEU 19 CO -0.05 -0.37 -0.08 -0.69 0.23 0.00 0.00 176.35 175.39 1wg4 s VAL 20 N 1.79 3.57 0.02 -1.59 1.01 -0.33 -1.82 120.40 123.05 1wg4 s VAL 20 Ca 0.44 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 1wg4 s VAL 20 Cb -0.18 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 1wg4 s VAL 20 CO 0.17 0.57 0.06 -0.94 0.00 0.00 0.00 175.10 174.97 1wg4 s SER 21 N -0.39 0.17 0.00 3.32 1.04 -1.16 0.51 113.70 117.19 1wg4 s SER 21 Ca 0.05 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1wg4 s SER 21 Cb -0.12 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1wg4 s SER 21 CO 0.02 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.44 1wg4 n GLY 22 N 1.16 0.89 3.90 7.32 0.00 0.49 -1.40 105.19 117.55 1wg4 n GLY 22 Ca -0.21 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.70 3.85 0.94 0.99 1.43 0.97 -3.86 118.68 122.29 1wg4 s LEU 23 Ca 0.00 0.89 -0.13 0.00 -1.03 0.00 0.00 54.13 53.85 1wg4 s LEU 23 Cb 0.00 -3.77 0.16 0.00 0.03 0.00 0.00 46.19 42.61 1wg4 s LEU 23 CO 0.00 -0.39 1.16 -2.16 0.23 0.00 0.00 176.35 175.18 1wg4 s PRO 24 N -4.10 0.86 0.37 1.29 0.04 -1.26 -4.31 135.00 127.90 1wg4 s PRO 24 Ca 0.47 0.18 0.27 0.00 0.04 0.00 0.00 61.00 61.95 1wg4 s PRO 24 Cb -0.10 -1.82 0.88 0.00 0.04 0.00 0.00 34.50 33.50 1wg4 s PRO 24 CO 0.36 -2.37 1.78 -1.00 0.04 0.00 0.00 177.00 175.81 1wg4 h PRO 25 N -1.62 0.00 0.00 0.56 0.13 -1.98 -2.97 132.00 126.12 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 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1wg4 h PRO 25 CO 0.57 0.00 -1.13 0.43 -0.23 0.00 0.00 178.00 177.64 1wg4 n SER 26 N -2.70 1.14 -4.12 1.44 7.64 -1.26 -5.03 113.62 110.74 1wg4 n SER 26 Ca 0.03 -0.44 -0.39 0.00 1.01 0.00 0.00 58.87 59.07 1wg4 n SER 26 Cb 0.38 1.31 0.00 0.00 -1.01 0.00 0.00 64.21 64.89 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 1.49 -2.83 3.40 0.23 0.00 -1.13 -4.35 105.19 102.01 1wg4 n GLY 27 Ca 0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 1wg4 n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg4 s SER 28 N -0.96 1.91 -0.01 1.61 0.01 -1.26 -4.94 113.70 110.05 1wg4 s SER 28 Ca 0.56 -1.48 -0.11 0.00 1.31 0.00 0.00 55.95 56.23 1wg4 s SER 28 Cb -0.56 0.21 -0.32 0.00 0.21 0.00 0.00 66.02 65.56 1wg4 s SER 28 CO 0.62 -0.77 0.82 4.11 0.41 0.00 0.00 173.24 178.43 1wg4 h TRP 29 N 2.15 0.76 0.00 2.43 5.08 -1.94 -2.98 115.95 121.46 1wg4 h TRP 29 Ca -0.37 -0.56 0.00 0.00 1.08 0.00 0.00 58.89 59.04 1wg4 h TRP 29 Cb 1.25 -0.03 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 1wg4 h TRP 29 CO 0.81 1.59 0.00 0.94 -1.28 0.00 0.00 178.44 180.50 1wg4 n GLN 30 N -3.61 0.00 -0.34 0.12 7.27 -1.26 0.20 117.38 119.76 1wg4 n GLN 30 Ca -0.20 0.69 0.11 0.00 0.07 0.00 0.00 57.00 57.67 1wg4 n GLN 30 Cb 1.08 -1.45 0.29 0.00 2.41 0.00 0.00 30.24 32.58 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 0.76 0.03 1.69 3.32 -1.92 0.53 116.42 120.83 1wg4 h ASP 31 Ca 0.00 0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.16 1wg4 h ASP 31 Cb 0.00 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1wg4 h ASP 31 CO 0.00 0.30 -0.13 0.25 -1.72 0.00 0.00 179.24 177.94 1wg4 h LEU 32 N 0.78 -0.36 0.36 1.55 6.46 -1.19 -0.21 115.31 122.70 1wg4 h LEU 32 Ca 0.55 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 58.35 1wg4 h LEU 32 Cb 0.79 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.85 1wg4 h LEU 32 CO -0.36 -0.18 -0.41 0.50 -0.62 0.00 0.00 178.44 177.37 1wg4 h LYS 33 N -0.23 -0.75 -0.43 1.25 3.64 0.44 1.52 116.57 122.01 1wg4 h LYS 33 Ca 0.04 0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.59 1wg4 h LYS 33 Cb 0.27 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1wg4 h LYS 33 CO -0.11 -0.50 0.73 -0.44 -2.27 0.00 0.00 179.45 176.87 1wg4 h ASP 34 N -0.78 0.00 0.00 4.20 3.32 -0.93 1.74 116.42 123.97 1wg4 h ASP 34 Ca -0.05 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.87 1wg4 h ASP 34 Cb 0.69 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1wg4 h ASP 34 CO -0.07 0.00 -0.79 -0.74 -1.72 0.00 0.00 179.24 175.92 1wg4 h HIS 35 N 0.00 0.00 -0.71 4.55 2.76 0.12 -3.38 115.15 118.49 1wg4 h HIS 35 Ca 0.21 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.33 1wg4 h HIS 35 Cb 1.67 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.60 1wg4 h HIS 35 CO 0.00 1.14 0.26 0.52 -1.30 0.00 0.00 177.93 178.55 1wg4 h MET 36 N -1.00 1.07 -1.15 5.26 2.86 0.62 -2.36 114.93 120.23 1wg4 h MET 36 Ca -0.21 -0.21 0.33 0.00 -2.06 0.00 0.00 59.70 57.56 1wg4 h MET 36 Cb 1.08 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 32.52 1wg4 h MET 36 CO -0.12 0.90 1.18 0.00 1.06 0.00 0.00 176.91 179.93 1wg4 h ARG 37 N 1.02 0.00 -0.55 1.72 2.47 0.22 -1.05 114.38 118.22 1wg4 h ARG 37 Ca 0.23 0.00 0.22 0.00 -1.26 0.00 0.00 59.98 59.18 1wg4 h ARG 37 Cb 0.24 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 28.46 1wg4 h ARG 37 CO -0.02 0.00 0.27 0.39 0.56 0.00 0.00 179.97 181.17 1wg4 n GLU 38 N -3.43 -0.03 0.00 0.04 -0.58 -0.89 -0.90 120.64 114.84 1wg4 n GLU 38 Ca 0.26 0.76 0.00 0.00 -0.42 0.00 0.00 57.16 57.76 1wg4 n GLU 38 Cb 1.53 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 31.05 1wg4 n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wg4 n ALA 39 N -2.67 0.00 -2.45 0.62 0.00 -0.40 -4.95 120.51 110.67 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 0.21 4.13 3.69 0.00 0.00 -0.08 -4.93 105.19 108.20 1wg4 n GLY 40 Ca 0.00 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 7.03 -0.15 1.61 2.15 -1.26 -4.63 116.67 122.96 1wg4 s ASP 41 Ca 0.00 1.26 -0.24 0.00 0.43 0.00 0.00 52.55 54.00 1wg4 s ASP 41 Cb 0.00 -2.46 -0.02 0.00 -0.30 0.00 0.00 42.92 40.13 1wg4 s ASP 41 CO 0.00 -0.32 0.74 -0.69 -0.17 0.00 0.00 175.17 174.74 1wg4 s VAL 42 N 1.67 4.96 -0.20 1.11 1.01 -1.26 -3.62 120.40 124.08 1wg4 s VAL 42 Ca 0.40 1.46 0.21 0.00 0.00 0.00 0.00 61.98 64.05 1wg4 s VAL 42 Cb -0.17 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 1wg4 s VAL 42 CO 0.16 0.11 0.97 0.00 0.00 0.00 0.00 175.10 176.33 1wg4 s TYR 44 N -3.23 -0.49 -0.21 0.00 5.04 -1.11 -4.92 117.35 112.43 1wg4 s TYR 44 Ca -0.01 1.00 -0.06 0.00 -2.44 0.00 0.00 57.07 55.56 1wg4 s TYR 44 Cb 0.09 0.23 0.10 0.00 0.35 0.00 0.00 41.96 42.73 1wg4 s TYR 44 CO 0.80 -0.40 0.42 0.00 -1.34 0.00 0.00 175.55 175.03 1wg4 s ALA 45 N -0.59 -1.20 0.10 3.97 0.00 -1.26 -1.94 121.76 120.85 1wg4 s ALA 45 Ca -0.07 1.42 -0.10 0.00 0.00 0.00 0.00 51.96 53.22 1wg4 s ALA 45 Cb -0.03 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1wg4 s ALA 45 CO 0.04 -0.87 0.23 0.34 0.00 0.00 0.00 175.76 175.50 1wg4 s ASP 46 N 2.61 0.07 0.02 0.00 2.15 -0.93 -4.98 116.67 115.62 1wg4 s ASP 46 Ca 0.01 -0.64 0.02 0.00 0.43 0.00 0.00 52.55 52.38 1wg4 s ASP 46 Cb -0.13 0.37 -0.01 0.00 -0.30 0.00 0.00 42.92 42.85 1wg4 s ASP 46 CO -0.14 -0.76 -0.07 0.54 -0.17 0.00 0.00 175.17 174.57 1wg4 s VAL 47 N -3.87 0.52 0.41 1.11 0.11 -1.26 -2.17 120.40 115.25 1wg4 s VAL 47 Ca 0.06 -0.67 0.07 0.00 -2.93 0.00 0.00 61.98 58.51 1wg4 s VAL 47 Cb 0.04 -0.51 -0.08 0.00 -1.53 0.00 0.00 36.38 34.30 1wg4 s VAL 47 CO -0.10 -0.12 0.03 -1.10 -3.33 0.00 0.00 175.10 170.48 1wg4 s GLN 48 N -0.86 1.99 0.97 1.54 -0.21 0.71 -4.98 119.66 118.82 1wg4 s GLN 48 Ca -0.04 -2.07 -0.16 0.00 0.02 0.00 0.00 55.36 53.11 1wg4 s GLN 48 Cb -0.06 -1.68 0.24 0.00 1.00 0.00 0.00 33.01 32.51 1wg4 s GLN 48 CO 0.00 -0.05 0.86 0.36 -2.12 0.00 0.00 175.29 174.33 1wg4 n LYS 49 N -1.00 -2.71 0.00 2.91 -0.00 -1.26 -3.55 118.16 112.55 1wg4 n LYS 49 Ca -0.05 -1.37 0.00 0.00 -0.00 0.00 0.00 58.31 56.89 1wg4 n LYS 49 Cb 0.67 -1.29 0.00 0.00 -0.00 0.00 0.00 35.03 34.41 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 -4.48 0.00 0.00 -5.58 2.03 -1.26 -3.12 116.55 104.14 1wg4 n ASP 50 Ca 0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1wg4 n ASP 50 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 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 3.34 0.27 0.00 -1.25 -4.70 105.19 102.85 1wg4 n GLY 51 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 1.32 0.30 1.61 -1.94 -1.18 0.19 119.30 119.59 1wg4 s MET 52 Ca 0.00 -1.53 -0.12 0.00 -1.71 0.00 0.00 55.69 52.33 1wg4 s MET 52 Cb 0.00 -1.20 0.01 0.00 2.01 0.00 0.00 34.83 35.65 1wg4 s MET 52 CO 0.00 0.22 0.55 0.20 -0.01 0.00 0.00 175.02 175.98 1wg4 s GLY 53 N -3.11 0.67 -0.17 -0.03 0.00 0.18 -0.20 107.32 104.65 1wg4 s GLY 53 Ca 0.20 -0.95 -0.13 0.00 0.00 0.00 0.00 44.72 43.84 1wg4 s GLY 53 CO 0.07 -0.61 0.43 -0.29 0.00 0.00 0.00 173.10 172.70 1wg4 s MET 54 N -3.51 0.48 0.01 2.90 1.75 -0.92 -1.18 119.30 118.82 1wg4 s MET 54 Ca 0.22 0.67 0.01 0.00 -1.25 0.00 0.00 55.69 55.34 1wg4 s MET 54 Cb -0.02 0.16 -0.01 0.00 2.84 0.00 0.00 34.83 37.81 1wg4 s MET 54 CO 0.12 -0.09 -0.03 0.14 -0.65 0.00 0.00 175.02 174.50 1wg4 s VAL 55 N 0.61 0.24 -0.02 10.11 -7.23 -1.05 -2.18 120.40 120.87 1wg4 s VAL 55 Ca -0.03 -0.32 0.08 0.00 -1.81 0.00 0.00 61.98 59.89 1wg4 s VAL 55 Cb -0.05 -0.24 -0.02 0.00 0.56 0.00 0.00 36.38 36.63 1wg4 s VAL 55 CO -0.04 -0.06 -0.26 -1.61 -0.31 0.00 0.00 175.10 172.83 1wg4 s GLU 56 N -0.41 2.13 0.38 4.82 2.02 -0.82 -0.09 118.70 126.73 1wg4 s GLU 56 Ca -0.02 -0.92 0.08 0.00 0.02 0.00 0.00 54.97 54.13 1wg4 s GLU 56 Cb -0.03 -2.03 -0.05 0.00 0.10 0.00 0.00 34.13 32.12 1wg4 s GLU 56 CO -0.00 0.53 0.14 0.71 0.02 0.00 0.00 175.26 176.66 1wg4 s TYR 57 N -0.56 2.62 -0.12 1.61 2.02 0.15 0.97 117.35 124.04 1wg4 s TYR 57 Ca 0.09 -0.50 0.18 0.00 -0.37 0.00 0.00 57.07 56.46 1wg4 s TYR 57 Cb -0.10 -1.78 -0.21 0.00 -0.40 0.00 0.00 41.96 39.47 1wg4 s TYR 57 CO -0.01 0.29 0.54 1.28 -1.57 0.00 0.00 175.55 176.08 1wg4 n LEU 58 N -1.16 0.47 -4.53 -1.29 4.32 -1.24 -4.24 117.00 109.34 1wg4 n LEU 58 Ca -0.02 0.21 -0.33 0.00 -0.02 0.00 0.00 56.01 55.85 1wg4 n LEU 58 Cb 0.63 0.19 -0.12 0.00 -1.62 0.00 0.00 43.42 42.50 1wg4 n LEU 58 CO 0.44 0.23 -0.42 -0.13 -1.22 0.00 0.00 177.39 176.29 1wg4 s ARG 59 N -2.89 2.57 0.08 3.23 1.81 -1.26 -4.98 118.95 117.51 1wg4 s ARG 59 Ca -0.06 -0.66 -0.30 0.00 -1.72 0.00 0.00 55.73 52.99 1wg4 s ARG 59 Cb 0.09 -2.46 -0.17 0.00 -0.45 0.00 0.00 34.95 31.96 1wg4 s ARG 59 CO 0.83 0.63 1.66 -0.22 -0.68 0.00 0.00 175.30 177.53 1wg4 h LYS 60 N 5.17 -0.58 -0.69 3.54 3.64 -1.94 -2.87 116.57 122.84 1wg4 h LYS 60 Ca -0.48 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.06 1wg4 h LYS 60 Cb 1.16 0.13 -0.12 0.00 -0.41 0.00 0.00 32.23 32.99 1wg4 h LYS 60 CO 0.51 -0.39 -0.35 0.93 -2.27 0.00 0.00 179.45 177.88 1wg4 h GLU 61 N -0.60 -0.12 -0.97 1.90 5.08 -1.99 0.26 114.58 118.13 1wg4 h GLU 61 Ca -0.06 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.48 1wg4 h GLU 61 Cb 0.47 0.03 -0.17 0.00 0.50 0.00 0.00 28.75 29.57 1wg4 h GLU 61 CO 0.10 -0.08 -0.30 -0.44 -1.00 0.00 0.00 179.01 177.28 1wg4 h ASP 62 N -0.12 -1.12 0.14 1.42 3.32 -1.87 1.57 116.42 119.75 1wg4 h ASP 62 Ca 0.26 0.30 -0.00 0.00 0.02 0.00 0.00 57.03 57.61 1wg4 h ASP 62 Cb 0.56 0.66 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1wg4 h ASP 62 CO -0.76 -0.31 -0.24 -0.03 -1.72 0.00 0.00 179.24 176.18 1wg4 h MET 63 N -0.01 -0.40 -0.57 3.56 4.05 -0.40 0.17 114.93 121.34 1wg4 h MET 63 Ca 0.41 0.03 0.09 0.00 -0.28 0.00 0.00 59.70 59.95 1wg4 h MET 63 Cb 0.66 0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 31.48 1wg4 h MET 63 CO -0.99 -0.26 0.19 0.93 0.23 0.00 0.00 176.91 177.01 1wg4 h GLU 64 N -0.41 0.35 0.01 0.39 5.08 -0.62 0.50 114.58 119.88 1wg4 h GLU 64 Ca -0.02 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1wg4 h GLU 64 Cb 0.38 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1wg4 h GLU 64 CO -0.09 0.23 -0.23 -0.92 -1.00 0.00 0.00 179.01 177.00 1wg4 h TYR 65 N 0.36 -0.68 -0.91 4.33 5.03 0.25 0.28 116.97 125.63 1wg4 h TYR 65 Ca 0.29 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.69 1wg4 h TYR 65 Cb 0.36 0.29 -0.06 0.00 1.55 0.00 0.00 36.73 38.87 1wg4 h TYR 65 CO -0.18 -0.25 0.59 0.00 -1.32 0.00 0.00 178.16 177.00 1wg4 h ALA 66 N -1.06 1.52 -0.05 1.82 0.00 -0.42 0.66 119.26 121.73 1wg4 h ALA 66 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1wg4 h ALA 66 Cb 0.32 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 1wg4 h ALA 66 CO -0.15 0.34 -0.40 -0.07 0.00 0.00 0.00 179.25 178.97 1wg4 h LEU 67 N 1.02 -1.22 0.09 0.00 3.38 0.97 0.47 115.31 120.02 1wg4 h LEU 67 Ca 0.40 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.52 1wg4 h LEU 67 Cb 0.23 0.49 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1wg4 h LEU 67 CO -0.15 -0.43 -0.04 0.03 0.09 0.00 0.00 178.44 177.93 1wg4 h ARG 68 N -0.52 -0.12 -0.71 1.13 2.47 0.22 0.60 114.38 117.45 1wg4 h ARG 68 Ca 0.06 0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.85 1wg4 h ARG 68 Cb 0.63 0.03 -0.09 0.00 -1.65 0.00 0.00 29.97 28.89 1wg4 h ARG 68 CO -0.34 -0.08 -0.42 1.63 0.56 0.00 0.00 179.97 181.32 1wg4 n LYS 69 N -2.79 -0.31 0.28 0.04 4.01 0.22 -1.09 118.16 118.51 1wg4 n LYS 69 Ca -0.02 1.11 -0.11 0.00 -0.51 0.00 0.00 58.31 58.78 1wg4 n LYS 69 Cb 0.05 -1.63 -0.05 0.00 -0.51 0.00 0.00 35.03 32.88 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 -0.19 -3.47 115.31 114.07 1wg4 h LEU 70 Ca 0.11 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1wg4 h LEU 70 Cb 0.29 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1wg4 h LEU 70 CO -0.67 -0.33 0.00 -0.67 0.09 0.00 0.00 178.44 176.86 1wg4 n ASP 71 N -4.63 0.00 -2.26 -0.43 2.03 0.21 -3.54 116.55 107.93 1wg4 n ASP 71 Ca -0.09 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.18 1wg4 n ASP 71 Cb 0.29 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.66 1wg4 n ASP 71 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1wg4 n ASP 72 N 1.17 -1.48 -4.30 1.67 9.92 -1.19 -4.85 116.55 117.49 1wg4 n ASP 72 Ca 0.00 1.03 -0.17 0.00 -0.53 0.00 0.00 54.79 55.12 1wg4 n ASP 72 Cb 0.00 -4.13 -0.10 0.00 -0.64 0.00 0.00 41.12 36.25 1wg4 n ASP 72 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1wg4 s THR 73 N -0.48 0.60 -0.59 -3.53 -4.23 -0.29 -4.94 115.64 102.18 1wg4 s THR 73 Ca -0.19 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.14 1wg4 s THR 73 Cb 0.01 -2.64 0.12 0.00 1.34 0.00 0.00 72.50 71.33 1wg4 s THR 73 CO 0.52 0.00 0.65 -0.75 -0.54 0.00 0.00 174.62 174.50 1wg4 s LYS 74 N -3.99 3.05 -0.03 3.99 2.20 -1.26 -1.63 119.74 122.07 1wg4 s LYS 74 Ca 0.37 -1.48 -0.21 0.00 -0.36 0.00 0.00 55.97 54.30 1wg4 s LYS 74 Cb 0.08 -4.29 -0.05 0.00 -1.51 0.00 0.00 37.83 32.05 1wg4 s LYS 74 CO 0.14 -1.48 0.61 0.12 -0.36 0.00 0.00 175.35 174.38 1wg4 s PHE 75 N 2.30 3.64 -0.26 4.03 5.36 0.98 -4.87 117.98 129.16 1wg4 s PHE 75 Ca 0.09 1.18 -0.04 0.00 -0.96 0.00 0.00 56.93 57.21 1wg4 s PHE 75 Cb -0.25 -2.65 0.02 0.00 -0.34 0.00 0.00 43.02 39.79 1wg4 s PHE 75 CO 0.05 0.27 -0.00 0.50 -1.46 0.00 0.00 175.22 174.57 1wg4 s ARG 76 N 0.12 2.99 1.16 10.12 3.52 -1.26 -0.70 118.95 134.90 1wg4 s ARG 76 Ca 0.32 -0.90 -0.17 0.00 -0.13 0.00 0.00 55.73 54.86 1wg4 s ARG 76 Cb -0.18 -3.14 0.27 0.00 -1.56 0.00 0.00 34.95 30.33 1wg4 s ARG 76 CO 0.17 -0.40 1.07 -1.54 -0.81 0.00 0.00 175.30 173.79 1wg4 s SER 77 N 1.41 1.23 0.00 -2.12 1.04 0.13 -4.88 113.70 110.51 1wg4 s SER 77 Ca 0.02 0.93 0.21 0.00 0.48 0.00 0.00 55.95 57.59 1wg4 s SER 77 Cb -0.17 -1.40 0.95 0.00 0.10 0.00 0.00 66.02 65.51 1wg4 s SER 77 CO -0.02 -3.96 1.67 0.00 0.98 0.00 0.00 173.24 171.91 1wg4 n HIS 78 N -4.70 0.00 1.22 5.02 1.44 -1.26 -1.89 115.22 115.05 1wg4 n HIS 78 Ca 0.09 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.93 1wg4 n HIS 78 Cb 0.58 -0.43 0.35 0.00 0.12 0.00 0.00 29.99 30.61 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 -1.43 0.79 0.00 -1.40 -0.58 -1.26 -4.92 120.64 111.84 1wg4 n GLU 79 Ca 0.07 -0.48 0.00 0.00 -0.42 0.00 0.00 57.16 56.33 1wg4 n GLU 79 Cb 0.22 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 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 3.13 3.51 0.62 0.00 -0.79 -5.04 105.19 107.97 1wg4 n GLY 80 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.68 0.08 -4.22 1.61 1.02 -1.26 -4.62 120.64 112.57 1wg4 n GLU 81 Ca 0.00 0.08 -0.17 0.00 -0.02 0.00 0.00 57.16 57.05 1wg4 n GLU 81 Cb 0.00 -2.01 -0.13 0.00 -0.02 0.00 0.00 31.44 29.29 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 -2.12 0.87 0.22 2.62 -4.23 -1.26 -0.69 115.64 111.04 1wg4 s THR 82 Ca 0.65 -0.97 -0.13 0.00 -1.18 0.00 0.00 61.69 60.06 1wg4 s THR 82 Cb -0.29 -0.82 0.00 0.00 1.34 0.00 0.00 72.50 72.73 1wg4 s THR 82 CO 0.59 -0.12 0.45 -0.44 -0.54 0.00 0.00 174.62 174.56 1wg4 s SER 83 N -1.21 -0.11 -0.30 3.99 0.01 0.12 -4.98 113.70 111.22 1wg4 s SER 83 Ca -0.02 -0.80 -0.10 0.00 1.31 0.00 0.00 55.95 56.34 1wg4 s SER 83 Cb -0.08 0.55 -0.02 0.00 0.21 0.00 0.00 66.02 66.68 1wg4 s SER 83 CO 0.01 -1.07 0.16 -0.31 0.41 0.00 0.00 173.24 172.44 1wg4 s TYR 84 N -3.97 3.18 -0.11 2.43 1.51 -1.26 -0.01 117.35 119.12 1wg4 s TYR 84 Ca 0.18 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 1wg4 s TYR 84 Cb 0.00 -2.36 -0.02 0.00 -0.11 0.00 0.00 41.96 39.48 1wg4 s TYR 84 CO 0.04 -0.38 -0.13 0.96 -1.11 0.00 0.00 175.55 174.93 1wg4 s ILE 85 N 1.65 3.09 0.31 2.71 -4.36 -0.65 -4.54 121.20 119.41 1wg4 s ILE 85 Ca 0.05 -0.67 -0.06 0.00 -0.26 0.00 0.00 60.65 59.71 1wg4 s ILE 85 Cb -0.17 -2.27 -0.06 0.00 1.25 0.00 0.00 42.46 41.21 1wg4 s ILE 85 CO 0.07 0.54 0.60 -0.13 0.24 0.00 0.00 174.94 176.26 1wg4 s ARG 86 N 0.01 3.68 -0.21 0.37 3.00 -0.49 -1.14 118.95 124.16 1wg4 s ARG 86 Ca -0.04 0.12 0.01 0.00 0.00 0.00 0.00 55.73 55.83 1wg4 s ARG 86 Cb -0.14 -2.59 0.05 0.00 0.00 0.00 0.00 34.95 32.26 1wg4 s ARG 86 CO 0.04 0.17 -0.11 0.08 0.00 0.00 0.00 175.30 175.48 1wg4 s VAL 87 N -2.12 1.78 0.04 3.52 1.01 -1.26 -3.00 120.40 120.38 1wg4 s VAL 87 Ca 0.46 -1.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 1wg4 s VAL 87 Cb -0.11 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1wg4 s VAL 87 CO 0.29 0.13 -0.03 -0.72 0.00 0.00 0.00 175.10 174.77 1wg4 s TYR 88 N 1.32 0.48 0.85 5.22 1.13 -0.75 -4.57 117.35 121.02 1wg4 s TYR 88 Ca -0.03 -0.91 -0.12 0.00 -1.41 0.00 0.00 57.07 54.60 1wg4 s TYR 88 Cb -0.17 -0.35 0.10 0.00 -1.10 0.00 0.00 41.96 40.45 1wg4 s TYR 88 CO -0.08 -0.31 1.12 -1.25 -2.51 0.00 0.00 175.55 172.52 1wg4 s PRO 89 N -3.22 1.65 -0.43 -3.49 0.04 -1.26 0.12 135.00 128.41 1wg4 s PRO 89 Ca 0.01 0.48 -0.25 0.00 0.04 0.00 0.00 61.00 61.27 1wg4 s PRO 89 Cb 0.03 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.71 1wg4 s PRO 89 CO -0.07 -1.89 0.91 -2.00 0.04 0.00 0.00 177.00 173.99 1wg4 s GLU 90 N -5.21 3.64 0.29 4.56 -6.30 -1.26 -4.66 118.70 109.76 1wg4 s GLU 90 Ca 0.62 0.29 0.10 0.00 -2.50 0.00 0.00 54.97 53.49 1wg4 s GLU 90 Cb -0.15 -3.88 -0.05 0.00 0.00 0.00 0.00 34.13 30.05 1wg4 s GLU 90 CO 0.54 -1.11 -0.09 1.03 0.02 0.00 0.00 175.26 175.65 1wg4 s ARG 91 N 3.62 1.96 -0.12 4.30 1.81 -1.26 -4.93 118.95 124.34 1wg4 s ARG 91 Ca 0.37 -1.67 -0.05 0.00 -1.72 0.00 0.00 55.73 52.65 1wg4 s ARG 91 Cb -0.11 -1.91 0.02 0.00 -0.45 0.00 0.00 34.95 32.50 1wg4 s ARG 91 CO 0.23 0.28 0.10 0.43 -0.68 0.00 0.00 175.30 175.67 1wg4 n SER 92 N -0.79 -4.58 -2.68 0.23 7.64 -1.26 -5.03 113.62 107.15 1wg4 n SER 92 Ca -0.05 1.12 -0.03 0.00 1.01 0.00 0.00 58.87 60.92 1wg4 n SER 92 Cb 0.60 -3.58 0.03 0.00 -1.01 0.00 0.00 64.21 60.26 1wg4 n SER 92 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wg4 n SER 93 N 1.82 -1.75 -4.35 6.43 2.88 -1.26 -5.17 113.62 112.22 1wg4 n SER 93 Ca -0.18 -1.27 -0.18 0.00 -1.33 0.00 0.00 58.87 55.91 1wg4 n SER 93 Cb 0.33 0.89 0.08 0.00 -0.75 0.00 0.00 64.21 64.76 1wg4 n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg4 n GLY 94 N 2.60 1.25 3.73 0.46 0.00 -1.26 -5.06 105.19 106.90 1wg4 n GLY 94 Ca 0.12 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 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 -4.52 4.54 0.25 1.61 0.04 -1.26 -4.84 135.00 130.82 1wg4 s PRO 95 Ca 0.55 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 63.02 1wg4 s PRO 95 Cb -0.04 -3.29 -0.11 0.00 0.04 0.00 0.00 34.50 31.10 1wg4 s PRO 95 CO 0.36 -0.02 1.55 -1.12 0.04 0.00 0.00 177.00 177.81 1wg4 s SER 96 N 0.21 6.50 0.00 6.66 0.01 -1.26 -3.62 113.70 122.20 1wg4 s SER 96 Ca 0.52 2.79 0.00 0.00 1.31 0.00 0.00 55.95 60.57 1wg4 s SER 96 Cb -0.29 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.31 1wg4 s SER 96 CO 0.34 -0.84 0.00 -0.24 0.41 0.00 0.00 173.24 172.91 1wg4 n SER 97 N 2.72 0.00 0.00 2.44 2.88 -1.26 -5.04 113.62 115.37 1wg4 n SER 97 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1wg4 n SER 97 Cb 0.38 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1wg4 n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42