#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wm4 n ALA 2 N 0.00 -0.78 -3.49 3.04 0.00 -1.26 -5.06 120.51 112.97 1wm4 n ALA 2 Ca 0.00 0.19 -0.16 0.00 0.00 0.00 0.00 53.44 53.46 1wm4 n ALA 2 Cb 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 19.45 19.03 1wm4 n ALA 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wm4 s THR 3 N -3.34 0.01 -0.10 0.00 2.01 -1.26 -5.06 115.64 107.90 1wm4 s THR 3 Ca 0.00 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.92 1wm4 s THR 3 Cb 0.00 -0.92 0.03 0.00 0.01 0.00 0.00 72.50 71.62 1wm4 s THR 3 CO 0.00 -0.04 -0.01 -0.75 -0.69 0.00 0.00 174.62 173.13 1wm4 s LYS 4 N -0.84 0.80 -0.07 4.92 2.47 -1.26 -5.09 119.74 120.67 1wm4 s LYS 4 Ca -0.09 -0.05 0.01 0.00 -1.56 0.00 0.00 55.97 54.28 1wm4 s LYS 4 Cb -0.02 -1.28 -0.03 0.00 -1.46 0.00 0.00 37.83 35.04 1wm4 s LYS 4 CO 0.07 -0.35 -0.07 -1.50 0.16 0.00 0.00 175.35 173.66 1wm4 s ILE 5 N 1.90 3.68 -1.07 5.43 2.07 -1.26 -1.94 121.20 130.01 1wm4 s ILE 5 Ca 0.04 -0.49 -0.02 0.00 -1.41 0.00 0.00 60.65 58.77 1wm4 s ILE 5 Cb -0.13 -2.50 0.30 0.00 0.13 0.00 0.00 42.46 40.26 1wm4 s ILE 5 CO -0.06 0.60 1.76 -0.90 -1.91 0.00 0.00 174.94 174.42 1wm4 n ASP 6 N 2.26 7.08 0.25 4.50 5.68 -1.25 -4.78 116.55 130.29 1wm4 n ASP 6 Ca -0.18 -3.57 0.08 0.00 -0.50 0.00 0.00 54.79 50.62 1wm4 n ASP 6 Cb 0.53 -1.22 0.28 0.00 -1.14 0.00 0.00 41.12 39.57 1wm4 n ASP 6 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1wm4 h LYS 7 N 4.62 0.00 -0.33 0.11 6.56 -1.96 0.24 116.57 125.81 1wm4 h LYS 7 Ca 0.44 0.00 0.07 0.00 -1.06 0.00 0.00 60.65 60.10 1wm4 h LYS 7 Cb 0.41 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 32.01 1wm4 h LYS 7 CO 1.25 0.00 -0.11 1.49 -2.06 0.00 0.00 179.45 180.02 1wm4 h GLU 8 N 0.00 -0.04 0.32 3.15 4.81 -1.97 0.64 114.58 121.49 1wm4 h GLU 8 Ca 0.07 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1wm4 h GLU 8 Cb 1.77 0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.16 1wm4 h GLU 8 CO -0.00 -0.02 -0.15 0.00 -0.73 0.00 0.00 179.01 178.10 1wm4 h ALA 9 N 1.27 -0.92 -0.05 2.92 0.00 -0.93 0.13 119.26 121.67 1wm4 h ALA 9 Ca 0.16 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1wm4 h ALA 9 Cb 0.29 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1wm4 h ALA 9 CO -0.36 -0.89 -0.11 0.00 0.00 0.00 0.00 179.25 177.89 1wm4 h ARG 11 N -0.09 -0.15 0.23 0.00 2.43 0.20 1.97 114.38 118.97 1wm4 h ARG 11 Ca 0.01 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1wm4 h ARG 11 Cb 0.12 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1wm4 h ARG 11 CO -0.10 -0.10 -0.15 0.00 -1.51 0.00 0.00 179.97 178.11 1wm4 h ALA 12 N 1.00 -0.37 0.00 2.80 0.00 0.11 -1.72 119.26 121.08 1wm4 h ALA 12 Ca 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1wm4 h ALA 12 Cb 0.56 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1wm4 h ALA 12 CO -0.71 -0.72 0.00 0.00 0.00 0.00 0.00 179.25 177.82 1wm4 h ALA 13 N 0.37 1.00 -0.01 0.00 0.00 0.38 -1.61 119.26 119.39 1wm4 h ALA 13 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1wm4 h ALA 13 Cb 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wm4 h ALA 13 CO 0.01 0.00 -0.01 1.88 0.00 0.00 0.00 179.25 181.13 1wm4 h TYR 14 N 0.00 0.02 0.00 0.00 -1.99 0.40 -3.14 116.97 112.25 1wm4 h TYR 14 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1wm4 h TYR 14 Cb 0.40 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.13 1wm4 h TYR 14 CO 0.00 0.55 -0.13 -0.91 -0.00 0.00 0.00 178.16 177.66 1wm4 h ASN 15 N -0.51 0.00 -0.01 3.88 -0.26 -1.30 -3.32 115.58 114.06 1wm4 h ASN 15 Ca 0.00 -0.04 -0.00 0.00 -0.56 0.00 0.00 56.30 55.70 1wm4 h ASN 15 Cb 0.54 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.80 1wm4 h ASN 15 CO 0.00 0.02 -0.00 0.25 -1.06 0.00 0.00 177.43 176.64 1wm4 h LEU 16 N 0.00 0.02 0.00 1.61 5.85 -1.28 -1.94 115.31 119.57 1wm4 h LEU 16 Ca 0.00 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1wm4 h LEU 16 Cb 0.78 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1wm4 h LEU 16 CO 0.00 0.34 0.01 1.33 -0.34 0.00 0.00 178.44 179.78 1wm4 n VAL 17 N -4.92 0.43 1.18 1.05 0.24 -1.19 -0.71 118.33 114.41 1wm4 n VAL 17 Ca -0.08 0.12 0.14 0.00 -2.04 0.00 0.00 64.34 62.48 1wm4 n VAL 17 Cb 0.18 -1.12 0.68 0.00 -1.47 0.00 0.00 33.84 32.11 1wm4 n VAL 17 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1wm4 n ARG 18 N -1.08 0.20 -3.23 7.34 1.85 -0.73 -4.79 116.66 116.22 1wm4 n ARG 18 Ca 0.00 0.01 -0.26 0.00 -1.00 0.00 0.00 57.85 56.60 1wm4 n ARG 18 Cb 0.01 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 29.90 1wm4 n ARG 18 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1wm4 s ASP 19 N -2.80 6.34 0.00 2.89 2.15 0.11 -4.90 116.67 120.46 1wm4 s ASP 19 Ca 0.21 0.63 0.00 0.00 0.43 0.00 0.00 52.55 53.82 1wm4 s ASP 19 Cb 0.19 -2.11 0.00 0.00 -0.30 0.00 0.00 42.92 40.70 1wm4 s ASP 19 CO 0.49 -0.31 0.43 0.47 -0.17 0.00 0.00 175.17 176.08 1wm4 n ASP 20 N -1.57 1.16 0.00 -0.34 8.00 -1.26 -4.27 116.55 118.26 1wm4 n ASP 20 Ca -0.03 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.30 1wm4 n ASP 20 Cb 0.55 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 1wm4 n ASP 20 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wm4 n GLY 21 N 1.70 -1.87 5.00 0.44 0.00 -1.26 -5.03 105.19 104.17 1wm4 n GLY 21 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.74 1wm4 n GLY 21 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wm4 n SER 22 N 0.00 0.00 -0.90 1.61 7.64 -1.26 -4.31 113.62 116.40 1wm4 n SER 22 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wm4 n SER 22 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wm4 n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wm4 n ALA 23 N 0.00 -0.11 -2.65 -0.43 0.00 -1.26 -4.99 120.51 111.06 1wm4 n ALA 23 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1wm4 n ALA 23 Cb 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 19.45 19.06 1wm4 n ALA 23 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1wm4 n VAL 24 N -0.90 0.00 -0.33 0.00 3.14 -1.22 -4.89 118.33 114.13 1wm4 n VAL 24 Ca 0.00 -0.58 0.31 0.00 -2.96 0.00 0.00 64.34 61.11 1wm4 n VAL 24 Cb 0.40 0.66 0.56 0.00 -1.06 0.00 0.00 33.84 34.39 1wm4 n VAL 24 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wm4 n ILE 25 N -0.28 -0.34 -3.84 1.55 3.06 0.37 -4.56 119.36 115.31 1wm4 n ILE 25 Ca -0.24 1.79 -0.10 0.00 -2.50 0.00 0.00 62.75 61.71 1wm4 n ILE 25 Cb 0.66 -2.92 -0.06 0.00 0.54 0.00 0.00 39.64 37.86 1wm4 n ILE 25 CO 0.00 0.00 0.00 -1.66 -2.50 0.00 0.00 176.55 172.39 1wm4 s TRP 26 N -5.31 0.14 -0.02 9.51 1.48 -1.18 -3.88 118.94 119.69 1wm4 s TRP 26 Ca -0.08 -0.51 -0.00 0.00 -1.06 0.00 0.00 56.10 54.45 1wm4 s TRP 26 Cb 0.30 0.11 0.02 0.00 -1.16 0.00 0.00 33.47 32.74 1wm4 s TRP 26 CO 0.72 -0.75 0.03 0.14 -4.06 0.00 0.00 176.95 173.03 1wm4 s VAL 27 N -3.91 -0.03 -0.04 -0.66 -7.23 -1.25 0.80 120.40 108.07 1wm4 s VAL 27 Ca 0.12 0.12 0.07 0.00 -1.81 0.00 0.00 61.98 60.48 1wm4 s VAL 27 Cb 0.02 -0.07 -0.02 0.00 0.56 0.00 0.00 36.38 36.88 1wm4 s VAL 27 CO -0.04 0.05 -0.25 0.42 -0.31 0.00 0.00 175.10 174.98 1wm4 s THR 28 N 0.63 2.12 0.26 5.32 -4.23 -1.21 -4.07 115.64 114.46 1wm4 s THR 28 Ca -0.05 -1.06 0.11 0.00 -1.18 0.00 0.00 61.69 59.51 1wm4 s THR 28 Cb -0.07 -1.75 -0.05 0.00 1.34 0.00 0.00 72.50 71.96 1wm4 s THR 28 CO -0.02 0.57 -0.19 0.72 -0.54 0.00 0.00 174.62 175.16 1wm4 s PHE 29 N -0.36 2.19 0.01 3.99 -0.71 -1.26 0.08 117.98 121.93 1wm4 s PHE 29 Ca 0.02 -0.37 -0.01 0.00 -1.04 0.00 0.00 56.93 55.53 1wm4 s PHE 29 Cb -0.12 -0.96 -0.01 0.00 -1.21 0.00 0.00 43.02 40.71 1wm4 s PHE 29 CO 0.02 0.64 -0.00 -0.98 -1.34 0.00 0.00 175.22 173.56 1wm4 s ARG 30 N -3.47 0.23 -0.48 1.99 1.70 -1.14 -4.09 118.95 113.69 1wm4 s ARG 30 Ca 0.28 -0.39 -0.26 0.00 -0.47 0.00 0.00 55.73 54.89 1wm4 s ARG 30 Cb -0.04 0.09 -0.07 0.00 -0.57 0.00 0.00 34.95 34.35 1wm4 s ARG 30 CO 0.13 -0.04 2.39 0.71 -1.08 0.00 0.00 175.30 177.41 1wm4 s TYR 31 N -0.99 1.08 -0.67 5.89 1.51 -1.26 -3.59 117.35 119.32 1wm4 s TYR 31 Ca -0.11 1.51 -0.16 0.00 -1.01 0.00 0.00 57.07 57.30 1wm4 s TYR 31 Cb -0.07 -3.61 0.15 0.00 -0.11 0.00 0.00 41.96 38.33 1wm4 s TYR 31 CO -0.00 -2.61 0.68 -0.51 -1.11 0.00 0.00 175.55 172.00 1wm4 s ASP 32 N 11.95 6.41 0.00 2.29 1.01 -1.14 -4.80 116.67 132.40 1wm4 s ASP 32 Ca 0.97 -2.02 0.00 0.00 0.71 0.00 0.00 52.55 52.21 1wm4 s ASP 32 Cb -0.18 -2.25 0.00 0.00 1.01 0.00 0.00 42.92 41.51 1wm4 s ASP 32 CO 0.26 -0.84 0.00 0.61 0.21 0.00 0.00 175.17 175.41 1wm4 n GLY 33 N 4.86 0.00 0.13 0.21 0.00 -1.26 -2.53 105.19 106.60 1wm4 n GLY 33 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1wm4 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wm4 n ALA 34 N -0.26 0.00 -2.86 4.61 0.00 -1.26 -5.14 120.51 115.59 1wm4 n ALA 34 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1wm4 n ALA 34 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1wm4 n ALA 34 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wm4 s THR 35 N -0.75 0.47 -0.81 0.00 2.01 -1.05 -4.62 115.64 110.89 1wm4 s THR 35 Ca 0.00 -1.07 -0.26 0.00 0.31 0.00 0.00 61.69 60.67 1wm4 s THR 35 Cb 0.00 -0.58 0.03 0.00 0.01 0.00 0.00 72.50 71.96 1wm4 s THR 35 CO 0.00 -0.42 1.40 -0.63 -0.69 0.00 0.00 174.62 174.29 1wm4 s ILE 36 N -1.45 3.73 0.10 1.82 1.09 -0.82 -2.87 121.20 122.80 1wm4 s ILE 36 Ca -0.10 0.05 0.10 0.00 -1.10 0.00 0.00 60.65 59.60 1wm4 s ILE 36 Cb -0.10 -4.83 -0.04 0.00 -1.06 0.00 0.00 42.46 36.43 1wm4 s ILE 36 CO 0.00 -1.76 -0.27 0.68 -0.10 0.00 0.00 174.94 173.49 1wm4 s VAL 37 N 6.01 2.21 -0.50 2.92 -7.23 -1.24 -3.76 120.40 118.81 1wm4 s VAL 37 Ca 0.42 -1.64 -0.45 0.00 -1.81 0.00 0.00 61.98 58.50 1wm4 s VAL 37 Cb -0.06 -1.94 -0.19 0.00 0.56 0.00 0.00 36.38 34.75 1wm4 s VAL 37 CO 0.08 0.18 1.93 -2.65 -0.31 0.00 0.00 175.10 174.33 1wm4 n PRO 38 N 1.19 0.01 0.01 4.82 -0.02 -1.26 -2.88 135.00 136.87 1wm4 n PRO 38 Ca -0.18 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.29 1wm4 n PRO 38 Cb 0.53 -1.51 -0.10 0.00 -0.02 0.00 0.00 33.50 32.40 1wm4 n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wm4 n GLY 39 N 6.13 -1.14 2.94 -1.23 0.00 0.11 -4.88 105.19 107.13 1wm4 n GLY 39 Ca 0.46 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 46.16 1wm4 n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wm4 n ASP 40 N -2.85 -0.91 -3.76 1.61 8.00 -0.99 -5.05 116.55 112.61 1wm4 n ASP 40 Ca -0.13 -2.84 -0.24 0.00 0.71 0.00 0.00 54.79 52.29 1wm4 n ASP 40 Cb 0.89 1.86 -0.08 0.00 -0.02 0.00 0.00 41.12 43.77 1wm4 n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wm4 s GLN 41 N -2.98 1.89 -0.15 -1.24 0.00 -1.26 -3.35 119.66 112.57 1wm4 s GLN 41 Ca 0.31 -2.14 -0.02 0.00 -0.00 0.00 0.00 55.36 53.51 1wm4 s GLN 41 Cb 0.01 -0.20 0.05 0.00 0.00 0.00 0.00 33.01 32.86 1wm4 s GLN 41 CO 0.22 -0.58 0.00 0.20 0.00 0.00 0.00 175.29 175.14 1wm4 s GLY 42 N -3.52 0.68 -0.03 2.60 0.00 0.24 -4.78 107.32 102.51 1wm4 s GLY 42 Ca 0.30 -0.54 0.01 0.00 0.00 0.00 0.00 44.72 44.49 1wm4 s GLY 42 CO 0.20 1.22 -0.01 0.00 0.00 0.00 0.00 173.10 174.52 1wm4 n ALA 43 N 5.04 1.94 -2.63 3.20 0.00 -1.26 0.14 120.51 126.94 1wm4 n ALA 43 Ca -0.09 -0.14 -0.24 0.00 0.00 0.00 0.00 53.44 52.97 1wm4 n ALA 43 Cb 0.48 0.30 -0.15 0.00 0.00 0.00 0.00 19.45 20.08 1wm4 n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wm4 s ASP 44 N -3.70 1.87 0.20 0.00 1.11 -1.26 -4.72 116.67 110.17 1wm4 s ASP 44 Ca -0.02 -0.29 0.16 0.00 0.18 0.00 0.00 52.55 52.57 1wm4 s ASP 44 Cb 0.01 -0.29 0.80 0.00 1.07 0.00 0.00 42.92 44.51 1wm4 s ASP 44 CO 0.08 0.18 1.49 0.00 1.18 0.00 0.00 175.17 178.10 1wm4 n TYR 45 N 2.81 0.50 0.05 4.23 4.19 -1.26 -1.28 117.16 126.40 1wm4 n TYR 45 Ca -0.15 0.24 -0.10 0.00 3.31 0.00 0.00 57.90 61.19 1wm4 n TYR 45 Cb 0.54 -0.89 -0.13 0.00 0.49 0.00 0.00 39.34 39.35 1wm4 n TYR 45 CO 0.00 0.00 0.00 1.96 0.91 0.00 0.00 176.86 179.73 1wm4 h GLN 46 N 0.00 0.08 -0.63 2.98 1.08 -2.00 -3.29 115.11 113.33 1wm4 h GLN 46 Ca 0.00 -0.14 -0.04 0.00 -1.45 0.00 0.00 58.65 57.01 1wm4 h GLN 46 Cb 0.09 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 1wm4 h GLN 46 CO 0.00 0.94 0.22 0.45 -0.95 0.00 0.00 178.83 179.49 1wm4 h HIS 47 N 0.02 0.99 -0.99 2.96 3.86 -1.60 -2.15 115.15 118.25 1wm4 h HIS 47 Ca -0.14 -0.09 0.06 0.00 -1.16 0.00 0.00 60.37 59.05 1wm4 h HIS 47 Cb 1.90 -0.29 -0.07 0.00 1.06 0.00 0.00 27.41 30.01 1wm4 h HIS 47 CO 0.02 0.80 0.64 0.27 0.86 0.00 0.00 177.93 180.52 1wm4 h PHE 48 N 0.90 1.18 -0.19 2.45 -5.15 -1.65 0.55 116.94 115.04 1wm4 h PHE 48 Ca 0.21 0.03 -0.06 0.00 -0.20 0.00 0.00 57.97 57.95 1wm4 h PHE 48 Cb 0.25 -0.39 -0.01 0.00 0.22 0.00 0.00 35.95 36.02 1wm4 h PHE 48 CO 0.02 0.62 -0.14 0.82 -2.00 0.00 0.00 178.31 177.63 1wm4 h ILE 49 N 1.17 1.20 0.00 0.88 1.08 -1.46 -1.85 117.51 118.53 1wm4 h ILE 49 Ca 0.42 -0.87 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 1wm4 h ILE 49 Cb 0.15 1.21 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1wm4 h ILE 49 CO -0.17 0.28 -0.67 0.06 -0.69 0.00 0.00 178.15 176.95 1wm4 h GLN 50 N 0.28 0.00 0.00 2.37 -0.00 -0.97 -3.39 115.11 113.40 1wm4 h GLN 50 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.71 1wm4 h GLN 50 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.90 1wm4 h GLN 50 CO 0.02 0.00 0.00 1.04 -0.00 0.00 0.00 178.83 179.89 1wm4 n GLN 51 N -2.68 0.00 -0.40 0.06 1.13 0.09 -4.17 117.38 111.41 1wm4 n GLN 51 Ca 0.02 0.35 -0.31 0.00 -1.94 0.00 0.00 57.00 55.12 1wm4 n GLN 51 Cb 0.52 -0.98 -0.08 0.00 0.11 0.00 0.00 30.24 29.82 1wm4 n GLN 51 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wm4 s THR 53 N 6.17 2.02 0.19 0.00 -4.23 -1.26 -4.92 115.64 113.62 1wm4 s THR 53 Ca 0.47 -0.06 -0.12 0.00 -1.18 0.00 0.00 61.69 60.79 1wm4 s THR 53 Cb 0.10 -2.96 0.09 0.00 1.34 0.00 0.00 72.50 71.08 1wm4 s THR 53 CO 0.22 0.00 1.83 -0.78 -0.54 0.00 0.00 174.62 175.35 1wm4 h ASP 54 N -1.41 0.59 0.00 3.99 3.58 -1.95 -1.75 116.42 119.47 1wm4 h ASP 54 Ca -0.44 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.01 1wm4 h ASP 54 Cb 1.26 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.18 1wm4 h ASP 54 CO 0.44 0.41 0.00 -0.67 -2.88 0.00 0.00 179.24 176.54 1wm4 n ASP 55 N -4.74 4.10 -3.78 2.28 -0.08 -1.26 -2.35 116.55 110.72 1wm4 n ASP 55 Ca 0.05 -2.13 -0.13 0.00 -1.51 0.00 0.00 54.79 51.07 1wm4 n ASP 55 Cb 0.07 -0.82 -0.10 0.00 2.34 0.00 0.00 41.12 42.62 1wm4 n ASP 55 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1wm4 s VAL 56 N 0.12 0.04 -0.06 5.18 1.01 -0.66 -4.97 120.40 121.06 1wm4 s VAL 56 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1wm4 s VAL 56 Cb 0.00 -0.52 0.03 0.00 0.00 0.00 0.00 36.38 35.89 1wm4 s VAL 56 CO 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 175.10 174.91 1wm4 s ARG 57 N -0.79 0.65 0.07 2.72 1.04 -1.26 -1.40 118.95 119.98 1wm4 s ARG 57 Ca -0.09 0.05 -0.21 0.00 -1.04 0.00 0.00 55.73 54.44 1wm4 s ARG 57 Cb -0.04 -0.91 0.07 0.00 -2.04 0.00 0.00 34.95 32.03 1wm4 s ARG 57 CO 0.02 -0.24 0.96 1.47 -0.04 0.00 0.00 175.30 177.48 1wm4 n LEU 58 N 4.80 0.00 -4.58 -1.89 -0.00 0.12 -4.86 117.00 110.60 1wm4 n LEU 58 Ca -0.13 -0.78 -0.28 0.00 -0.00 0.00 0.00 56.01 54.82 1wm4 n LEU 58 Cb 0.50 1.95 -0.09 0.00 -0.00 0.00 0.00 43.42 45.78 1wm4 n LEU 58 CO 0.15 -0.26 -0.41 -0.36 -0.00 0.00 0.00 177.39 176.50 1wm4 s PHE 59 N -2.47 2.70 0.11 1.47 0.40 -1.26 0.29 117.98 119.22 1wm4 s PHE 59 Ca 0.22 -0.19 0.03 0.00 -0.60 0.00 0.00 56.93 56.40 1wm4 s PHE 59 Cb -0.02 -1.36 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 1wm4 s PHE 59 CO 0.02 0.47 -0.09 0.00 0.70 0.00 0.00 175.22 176.32 1wm4 s ALA 60 N -1.46 1.12 -0.29 5.36 0.00 0.49 -4.02 121.76 122.97 1wm4 s ALA 60 Ca 0.23 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.90 1wm4 s ALA 60 Cb -0.10 0.08 0.15 0.00 0.00 0.00 0.00 23.12 23.25 1wm4 s ALA 60 CO 0.15 -0.12 0.35 0.12 0.00 0.00 0.00 175.76 176.26 1wm4 s PHE 61 N -3.03 -0.73 0.18 0.00 5.36 -1.26 -0.33 117.98 118.18 1wm4 s PHE 61 Ca 0.10 0.07 0.11 0.00 -0.96 0.00 0.00 56.93 56.25 1wm4 s PHE 61 Cb 0.01 -0.31 -0.04 0.00 -0.34 0.00 0.00 43.02 42.33 1wm4 s PHE 61 CO -0.02 -0.95 -0.24 0.54 -1.46 0.00 0.00 175.22 173.09 1wm4 s VAL 62 N 2.45 2.35 -0.15 3.12 0.11 -1.24 -3.92 120.40 123.12 1wm4 s VAL 62 Ca 0.10 -1.97 -0.21 0.00 -2.93 0.00 0.00 61.98 56.97 1wm4 s VAL 62 Cb -0.13 -2.11 -0.03 0.00 -1.53 0.00 0.00 36.38 32.58 1wm4 s VAL 62 CO -0.31 -0.08 0.61 -0.60 -3.33 0.00 0.00 175.10 171.39 1wm4 s ARG 63 N -2.55 4.29 0.22 1.54 3.52 -1.25 -4.02 118.95 120.69 1wm4 s ARG 63 Ca 0.19 0.64 0.07 0.00 -0.13 0.00 0.00 55.73 56.50 1wm4 s ARG 63 Cb -0.08 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 1wm4 s ARG 63 CO 0.09 -0.10 0.11 -0.06 -0.81 0.00 0.00 175.30 174.54 1wm4 s PHE 64 N 1.42 3.00 0.15 5.12 0.08 -0.66 -4.95 117.98 122.13 1wm4 s PHE 64 Ca 0.30 -0.11 -0.11 0.00 0.12 0.00 0.00 56.93 57.13 1wm4 s PHE 64 Cb -0.16 -1.39 -0.07 0.00 -0.57 0.00 0.00 43.02 40.83 1wm4 s PHE 64 CO 0.12 0.54 0.50 0.99 -0.10 0.00 0.00 175.22 177.27 1wm4 s THR 65 N -1.99 4.96 -0.90 0.64 2.01 -1.26 -1.18 115.64 117.92 1wm4 s THR 65 Ca 0.31 0.58 -0.01 0.00 0.31 0.00 0.00 61.69 62.88 1wm4 s THR 65 Cb -0.08 -3.67 0.24 0.00 0.01 0.00 0.00 72.50 68.99 1wm4 s THR 65 CO 0.22 0.16 0.90 1.07 -0.69 0.00 0.00 174.62 176.28 1wm4 n THR 66 N 0.53 3.35 0.00 -0.82 5.66 -1.26 -4.83 114.28 116.90 1wm4 n THR 66 Ca -0.04 -5.26 0.00 0.00 -3.05 0.00 0.00 64.05 55.69 1wm4 n THR 66 Cb 0.52 -2.31 0.00 0.00 -1.55 0.00 0.00 70.33 66.99 1wm4 n THR 66 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wm4 n GLY 67 N 1.98 -0.76 3.56 1.09 0.00 -1.26 -4.83 105.19 104.97 1wm4 n GLY 67 Ca 0.24 -1.19 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 1wm4 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wm4 s ASP 68 N -0.51 6.33 0.00 1.61 1.11 -1.26 -4.67 116.67 119.27 1wm4 s ASP 68 Ca 0.00 -1.21 0.00 0.00 0.18 0.00 0.00 52.55 51.52 1wm4 s ASP 68 Cb 0.00 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.42 1wm4 s ASP 68 CO 0.00 -1.67 0.00 0.00 1.18 0.00 0.00 175.17 174.68 1wm4 n ALA 69 N 9.40 0.00 -0.74 5.23 0.00 -1.26 -5.02 120.51 128.12 1wm4 n ALA 69 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1wm4 n ALA 69 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1wm4 n ALA 69 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1wm4 n MET 70 N -0.16 0.00 -3.05 0.00 0.00 -1.26 -4.76 117.12 107.89 1wm4 n MET 70 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.70 57.53 1wm4 n MET 70 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 33.22 33.24 1wm4 n MET 70 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1wm4 n SER 71 N 1.23 -7.23 0.02 6.12 7.64 -1.26 -4.88 113.62 115.26 1wm4 n SER 71 Ca 0.00 0.35 0.13 0.00 1.01 0.00 0.00 58.87 60.35 1wm4 n SER 71 Cb 0.00 -4.27 0.33 0.00 -1.01 0.00 0.00 64.21 59.27 1wm4 n SER 71 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1wm4 n LYS 72 N -0.23 0.08 -3.18 1.43 2.85 -1.26 -4.67 118.16 113.17 1wm4 n LYS 72 Ca 0.06 0.03 0.02 0.00 -1.05 0.00 0.00 58.31 57.37 1wm4 n LYS 72 Cb 0.52 -1.56 -0.01 0.00 -0.65 0.00 0.00 35.03 33.33 1wm4 n LYS 72 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1wm4 s ARG 73 N -3.04 0.65 0.88 -1.58 0.52 -1.26 -5.15 118.95 109.95 1wm4 s ARG 73 Ca 0.11 0.21 -0.11 0.00 -0.52 0.00 0.00 55.73 55.42 1wm4 s ARG 73 Cb 0.17 0.15 0.17 0.00 0.52 0.00 0.00 34.95 35.96 1wm4 s ARG 73 CO 0.66 -1.10 0.39 0.45 0.02 0.00 0.00 175.30 175.72 1wm4 n SER 74 N 5.04 -2.87 -4.50 0.23 2.88 -1.26 -4.86 113.62 108.28 1wm4 n SER 74 Ca 0.07 -0.40 -0.34 0.00 -1.33 0.00 0.00 58.87 56.87 1wm4 n SER 74 Cb 0.55 -0.66 -0.12 0.00 -0.75 0.00 0.00 64.21 63.23 1wm4 n SER 74 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1wm4 s LYS 75 N -3.33 3.68 -0.19 -1.46 -2.85 -0.32 -4.94 119.74 110.33 1wm4 s LYS 75 Ca 0.30 -0.51 -0.04 0.00 -1.00 0.00 0.00 55.97 54.72 1wm4 s LYS 75 Cb -0.05 -2.95 -0.02 0.00 -2.06 0.00 0.00 37.83 32.75 1wm4 s LYS 75 CO 0.25 0.22 -0.02 -0.06 0.10 0.00 0.00 175.35 175.85 1wm4 s PHE 76 N 0.42 3.01 0.18 1.78 0.40 -1.26 -1.66 117.98 120.85 1wm4 s PHE 76 Ca -0.03 -0.51 -0.06 0.00 -0.60 0.00 0.00 56.93 55.74 1wm4 s PHE 76 Cb -0.14 -2.05 -0.02 0.00 0.51 0.00 0.00 43.02 41.31 1wm4 s PHE 76 CO 0.03 -0.25 0.23 0.00 0.70 0.00 0.00 175.22 175.93 1wm4 s ALA 77 N 0.92 0.48 0.21 5.36 0.00 -1.26 0.33 121.76 127.81 1wm4 s ALA 77 Ca 0.00 -1.24 0.11 0.00 0.00 0.00 0.00 51.96 50.83 1wm4 s ALA 77 Cb -0.14 1.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.98 1wm4 s ALA 77 CO 0.02 -0.63 -0.21 -1.17 0.00 0.00 0.00 175.76 173.76 1wm4 s LEU 78 N -3.05 2.48 -0.02 0.00 0.20 -1.01 -3.64 118.68 113.65 1wm4 s LEU 78 Ca 0.26 -0.92 0.01 0.00 0.69 0.00 0.00 54.13 54.17 1wm4 s LEU 78 Cb 0.05 -1.05 0.01 0.00 -0.43 0.00 0.00 46.19 44.77 1wm4 s LEU 78 CO 0.05 0.05 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.50 1wm4 s ILE 79 N -2.05 0.36 -0.24 6.68 1.01 0.55 0.28 121.20 127.79 1wm4 s ILE 79 Ca 0.22 -0.13 -0.15 0.00 0.00 0.00 0.00 60.65 60.60 1wm4 s ILE 79 Cb -0.06 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 1wm4 s ILE 79 CO 0.10 0.14 0.35 -0.89 0.00 0.00 0.00 174.94 174.64 1wm4 s THR 80 N 0.33 5.21 -0.38 2.92 2.01 -0.11 -0.38 115.64 125.25 1wm4 s THR 80 Ca -0.03 0.56 -0.14 0.00 0.31 0.00 0.00 61.69 62.39 1wm4 s THR 80 Cb -0.07 -3.68 0.01 0.00 0.01 0.00 0.00 72.50 68.77 1wm4 s THR 80 CO -0.00 0.22 0.26 0.86 -0.69 0.00 0.00 174.62 175.27 1wm4 s TRP 81 N 1.61 3.23 -0.60 4.92 -0.11 0.85 -1.31 118.94 127.55 1wm4 s TRP 81 Ca 0.15 -0.53 -0.05 0.00 1.22 0.00 0.00 56.10 56.89 1wm4 s TRP 81 Cb -0.15 -2.52 0.15 0.00 -1.50 0.00 0.00 33.47 29.45 1wm4 s TRP 81 CO 0.08 -0.53 0.43 0.42 -4.62 0.00 0.00 176.95 172.73 1wm4 s ILE 82 N 1.67 3.88 0.79 5.86 -1.09 -1.10 0.15 121.20 131.37 1wm4 s ILE 82 Ca 0.05 -2.66 -0.15 0.00 -2.23 0.00 0.00 60.65 55.67 1wm4 s ILE 82 Cb -0.18 -3.54 0.02 0.00 -1.58 0.00 0.00 42.46 37.18 1wm4 s ILE 82 CO 0.09 -0.85 0.79 0.61 -1.23 0.00 0.00 174.94 174.36 1wm4 n GLY 83 N 3.85 -0.95 0.07 6.18 0.00 -0.49 -4.69 105.19 109.16 1wm4 n GLY 83 Ca 0.05 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.72 1wm4 n GLY 83 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wm4 n GLU 84 N -1.87 0.45 -1.42 1.61 4.07 -0.99 -4.05 120.64 118.44 1wm4 n GLU 84 Ca 0.11 0.05 -0.33 0.00 -0.06 0.00 0.00 57.16 56.94 1wm4 n GLU 84 Cb 0.51 -1.71 0.08 0.00 -0.06 0.00 0.00 31.44 30.25 1wm4 n GLU 84 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1wm4 n ASP 85 N -2.32 7.16 -4.79 4.31 9.92 -1.24 -4.97 116.55 124.62 1wm4 n ASP 85 Ca 0.01 -3.78 -0.24 0.00 -0.53 0.00 0.00 54.79 50.25 1wm4 n ASP 85 Cb 0.50 -0.88 -0.05 0.00 -0.64 0.00 0.00 41.12 40.04 1wm4 n ASP 85 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1wm4 s VAL 86 N -4.74 4.38 0.50 2.53 -7.23 -1.26 -4.89 120.40 109.69 1wm4 s VAL 86 Ca 0.63 -1.27 -0.08 0.00 -1.81 0.00 0.00 61.98 59.45 1wm4 s VAL 86 Cb 0.49 -3.29 0.12 0.00 0.56 0.00 0.00 36.38 34.26 1wm4 s VAL 86 CO 0.00 -0.22 0.62 -0.24 -0.31 0.00 0.00 175.10 174.95 1wm4 n SER 87 N -0.69 -0.28 0.15 4.85 2.88 -1.26 -4.96 113.62 114.31 1wm4 n SER 87 Ca -0.08 -1.15 0.12 0.00 -1.33 0.00 0.00 58.87 56.43 1wm4 n SER 87 Cb 0.56 -0.49 0.16 0.00 -0.75 0.00 0.00 64.21 63.70 1wm4 n SER 87 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1wm4 h GLY 88 N -1.00 0.00 -0.34 0.46 0.00 -2.01 -3.34 103.07 96.84 1wm4 h GLY 88 Ca -0.21 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.25 1wm4 h GLY 88 CO 0.14 0.00 -0.20 1.41 0.00 0.00 0.00 176.54 177.89 1wm4 h LEU 89 N 0.00 -0.74 -1.79 3.11 4.07 -2.02 1.07 115.31 119.01 1wm4 h LEU 89 Ca 0.00 0.20 -0.00 0.00 0.08 0.00 0.00 57.88 58.16 1wm4 h LEU 89 Cb 0.92 0.45 -0.01 0.00 1.08 0.00 0.00 40.66 43.10 1wm4 h LEU 89 CO 0.00 -0.24 0.09 1.56 -1.08 0.00 0.00 178.44 178.77 1wm4 h GLN 90 N -0.04 0.23 -0.06 1.13 1.08 -1.97 -2.07 115.11 113.40 1wm4 h GLN 90 Ca 0.30 -0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.49 1wm4 h GLN 90 Cb 0.50 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 1wm4 h GLN 90 CO -0.68 0.17 -0.16 -0.09 -0.95 0.00 0.00 178.83 177.12 1wm4 h ARG 91 N 0.23 -0.15 -0.36 1.46 9.65 0.10 2.04 114.38 127.35 1wm4 h ARG 91 Ca 0.06 0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 58.87 1wm4 h ARG 91 Cb 0.01 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 1wm4 h ARG 91 CO -0.01 -0.10 -0.12 0.00 2.80 0.00 0.00 179.97 182.53 1wm4 h ALA 92 N -1.05 1.11 0.00 2.80 0.00 -1.44 -2.66 119.26 118.02 1wm4 h ALA 92 Ca 0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1wm4 h ALA 92 Cb 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1wm4 h ALA 92 CO -0.14 0.56 -0.00 0.87 0.00 0.00 0.00 179.25 180.53 1wm4 h LYS 93 N 0.58 -0.00 0.00 0.00 1.57 -0.73 -3.11 116.57 114.88 1wm4 h LYS 93 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1wm4 h LYS 93 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1wm4 h LYS 93 CO 0.03 -0.00 0.53 2.41 -0.57 0.00 0.00 179.45 181.85 1wm4 n THR 94 N -2.02 0.30 -0.02 -0.16 -1.04 0.69 -1.13 114.28 110.90 1wm4 n THR 94 Ca -0.00 0.72 -0.00 0.00 -2.04 0.00 0.00 64.05 62.73 1wm4 n THR 94 Cb 0.00 -1.72 -0.00 0.00 -1.82 0.00 0.00 70.33 66.79 1wm4 n THR 94 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1wm4 h GLY 95 N 0.00 -0.01 1.22 3.41 0.00 -1.46 -3.14 103.07 103.08 1wm4 h GLY 95 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1wm4 h GLY 95 CO 0.00 -0.00 -0.43 0.00 0.00 0.00 0.00 176.54 176.11 1wm4 h THR 96 N -0.52 1.28 -0.77 4.70 1.03 -1.22 -3.11 112.91 114.29 1wm4 h THR 96 Ca -0.00 -1.61 0.00 0.00 -0.01 0.00 0.00 66.41 64.79 1wm4 h THR 96 Cb 0.01 1.48 -0.04 0.00 -1.07 0.00 0.00 68.15 68.53 1wm4 h THR 96 CO 0.00 0.53 0.49 -0.78 -0.01 0.00 0.00 175.52 175.75 1wm4 h ASP 97 N 0.68 0.92 -0.09 0.00 1.82 -1.32 -1.35 116.42 117.08 1wm4 h ASP 97 Ca 0.05 -0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.60 1wm4 h ASP 97 Cb 1.01 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.78 1wm4 h ASP 97 CO 0.10 0.69 -0.02 0.07 -1.61 0.00 0.00 179.24 178.47 1wm4 h LYS 98 N 1.06 0.29 0.00 0.28 2.10 -1.53 0.49 116.57 119.25 1wm4 h LYS 98 Ca 0.28 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.87 1wm4 h LYS 98 Cb -0.07 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.21 1wm4 h LYS 98 CO -0.06 0.34 -0.06 1.15 -2.00 0.00 0.00 179.45 178.83 1wm4 h THR 99 N 0.29 0.32 0.00 0.07 2.02 -1.19 -0.69 112.91 113.73 1wm4 h THR 99 Ca 0.07 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 1wm4 h THR 99 Cb 0.24 1.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1wm4 h THR 99 CO 0.01 0.06 -0.15 -0.07 0.37 0.00 0.00 175.52 175.74 1wm4 h LEU 100 N 0.00 0.00 -1.64 2.58 3.38 -0.67 -3.02 115.31 115.94 1wm4 h LEU 100 Ca -0.00 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1wm4 h LEU 100 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1wm4 h LEU 100 CO 0.01 0.88 0.00 1.62 0.09 0.00 0.00 178.44 181.04 1wm4 h VAL 101 N -1.00 0.00 0.20 1.22 3.04 -1.27 -2.23 116.25 116.21 1wm4 h VAL 101 Ca -0.03 -0.17 -0.32 0.00 -1.01 0.00 0.00 66.70 65.17 1wm4 h VAL 101 Cb 0.69 0.94 0.02 0.00 -2.01 0.00 0.00 31.29 30.94 1wm4 h VAL 101 CO -0.02 0.00 -1.49 0.50 -1.01 0.00 0.00 177.57 175.55 1wm4 h LYS 102 N 0.00 0.43 0.00 4.17 3.64 -1.20 -3.31 116.57 120.30 1wm4 h LYS 102 Ca 0.00 -0.73 -0.06 0.00 -1.27 0.00 0.00 60.65 58.59 1wm4 h LYS 102 Cb 0.20 0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1wm4 h LYS 102 CO 0.00 1.35 -0.28 1.49 -2.27 0.00 0.00 179.45 179.74 1wm4 h GLU 103 N 0.01 0.00 -0.98 1.90 4.22 -1.35 -3.22 114.58 115.15 1wm4 h GLU 103 Ca -0.28 0.00 -0.59 0.00 0.08 0.00 0.00 59.36 58.57 1wm4 h GLU 103 Cb 2.03 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.98 1wm4 h GLU 103 CO 0.20 0.28 0.73 1.55 -2.18 0.00 0.00 179.01 179.59 1wm4 n VAL 104 N -3.22 3.39 -4.12 0.32 3.14 -0.87 -4.89 118.33 112.08 1wm4 n VAL 104 Ca 0.02 -2.43 -0.22 0.00 -2.96 0.00 0.00 64.34 58.75 1wm4 n VAL 104 Cb 0.60 -0.79 -0.17 0.00 -1.06 0.00 0.00 33.84 32.42 1wm4 n VAL 104 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1wm4 s VAL 105 N -4.02 0.65 0.00 1.55 0.11 -1.22 -4.93 120.40 112.53 1wm4 s VAL 105 Ca 0.60 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.51 1wm4 s VAL 105 Cb 0.49 -0.68 0.00 0.00 -1.53 0.00 0.00 36.38 34.66 1wm4 s VAL 105 CO 0.05 0.27 0.00 0.00 -3.33 0.00 0.00 175.10 172.09 1wm4 n GLN 106 N 4.32 0.78 -0.27 1.54 6.02 -1.26 -4.76 117.38 123.75 1wm4 n GLN 106 Ca -0.20 0.00 0.29 0.00 -0.01 0.00 0.00 57.00 57.08 1wm4 n GLN 106 Cb 0.51 -0.64 0.66 0.00 1.02 0.00 0.00 30.24 31.79 1wm4 n GLN 106 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1wm4 h ASN 107 N 0.00 0.15 -4.31 1.08 -0.73 -1.98 -3.40 115.58 106.39 1wm4 h ASN 107 Ca 0.00 0.02 -0.50 0.00 1.87 0.00 0.00 56.30 57.69 1wm4 h ASN 107 Cb 0.28 0.00 0.11 0.00 0.27 0.00 0.00 38.32 38.98 1wm4 h ASN 107 CO 0.00 0.04 0.35 0.72 -0.37 0.00 0.00 177.43 178.16 1wm4 s PHE 108 N -5.13 2.94 -0.20 0.67 -0.71 -1.26 -4.75 117.98 109.53 1wm4 s PHE 108 Ca -0.06 1.32 0.14 0.00 -1.04 0.00 0.00 56.93 57.29 1wm4 s PHE 108 Cb 0.23 -2.99 -0.22 0.00 -1.21 0.00 0.00 43.02 38.82 1wm4 s PHE 108 CO 0.79 -1.52 0.01 0.00 -1.34 0.00 0.00 175.22 173.16 1wm4 n ALA 109 N -3.30 1.52 -3.58 1.99 0.00 1.00 -4.93 120.51 113.21 1wm4 n ALA 109 Ca 0.07 -1.22 -0.14 0.00 0.00 0.00 0.00 53.44 52.15 1wm4 n ALA 109 Cb 0.55 -0.14 -0.06 0.00 0.00 0.00 0.00 19.45 19.79 1wm4 n ALA 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1wm4 s LYS 110 N -2.47 0.84 0.20 0.00 2.20 -1.18 -5.04 119.74 114.29 1wm4 s LYS 110 Ca -0.14 0.54 0.05 0.00 -0.36 0.00 0.00 55.97 56.06 1wm4 s LYS 110 Cb 0.06 0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 36.75 1wm4 s LYS 110 CO 0.74 -0.19 0.18 -1.83 -0.36 0.00 0.00 175.35 173.89 1wm4 s GLU 111 N -0.46 2.99 0.09 4.03 4.04 -1.26 -2.40 118.70 125.73 1wm4 s GLU 111 Ca -0.04 -0.90 0.03 0.00 0.04 0.00 0.00 54.97 54.10 1wm4 s GLU 111 Cb -0.02 -2.66 -0.04 0.00 0.02 0.00 0.00 34.13 31.43 1wm4 s GLU 111 CO 0.03 0.46 -0.09 -0.06 -1.84 0.00 0.00 175.26 173.76 1wm4 s PHE 112 N -1.89 0.98 -0.05 4.83 0.08 0.14 -4.87 117.98 117.21 1wm4 s PHE 112 Ca 0.32 -0.70 0.04 0.00 0.12 0.00 0.00 56.93 56.72 1wm4 s PHE 112 Cb -0.09 -0.54 -0.02 0.00 -0.57 0.00 0.00 43.02 41.79 1wm4 s PHE 112 CO 0.25 -0.04 -0.17 0.08 -0.10 0.00 0.00 175.22 175.24 1wm4 s VAL 113 N -2.59 2.83 0.03 -0.44 1.01 -1.26 -0.93 120.40 119.04 1wm4 s VAL 113 Ca 0.05 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1wm4 s VAL 113 Cb -0.02 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1wm4 s VAL 113 CO -0.01 0.58 -0.05 -0.63 0.00 0.00 0.00 175.10 174.99 1wm4 s ILE 114 N -0.60 0.29 0.00 2.22 1.01 -0.42 -4.83 121.20 118.87 1wm4 s ILE 114 Ca 0.09 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1wm4 s ILE 114 Cb -0.11 -0.40 0.00 0.00 0.01 0.00 0.00 42.46 41.96 1wm4 s ILE 114 CO 0.01 -0.45 0.51 -1.20 0.00 0.00 0.00 174.94 173.81 1wm4 n SER 115 N 1.55 0.00 -3.85 3.58 7.64 -1.26 -2.69 113.62 118.58 1wm4 n SER 115 Ca -0.23 -1.05 -0.10 0.00 1.01 0.00 0.00 58.87 58.49 1wm4 n SER 115 Cb 0.55 -0.01 -0.08 0.00 -1.01 0.00 0.00 64.21 63.66 1wm4 n SER 115 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1wm4 s ASP 116 N -0.05 0.06 0.20 6.43 1.01 -1.26 -4.80 116.67 118.25 1wm4 s ASP 116 Ca 0.00 -0.43 0.04 0.00 0.71 0.00 0.00 52.55 52.87 1wm4 s ASP 116 Cb 0.00 0.30 0.12 0.00 1.01 0.00 0.00 42.92 44.34 1wm4 s ASP 116 CO 0.00 -0.59 1.46 -0.09 0.21 0.00 0.00 175.17 176.16 1wm4 h ARG 117 N 3.32 0.19 0.00 8.23 2.43 -1.98 -2.87 114.38 123.70 1wm4 h ARG 117 Ca -0.32 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1wm4 h ARG 117 Cb 1.19 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1wm4 h ARG 117 CO 0.50 0.86 0.06 1.63 -1.51 0.00 0.00 179.97 181.50 1wm4 n LYS 118 N -3.74 0.13 0.00 0.20 4.76 -1.26 0.47 118.16 118.72 1wm4 n LYS 118 Ca -0.03 0.63 0.13 0.00 -2.87 0.00 0.00 58.31 56.17 1wm4 n LYS 118 Cb 0.72 -1.99 0.47 0.00 -1.84 0.00 0.00 35.03 32.39 1wm4 n LYS 118 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1wm4 n GLU 119 N -2.23 0.80 -0.64 1.97 1.02 -1.08 -3.90 120.64 116.58 1wm4 n GLU 119 Ca -0.01 -0.41 -0.08 0.00 -0.02 0.00 0.00 57.16 56.64 1wm4 n GLU 119 Cb 0.09 -1.49 0.14 0.00 -0.02 0.00 0.00 31.44 30.16 1wm4 n GLU 119 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1wm4 n LEU 120 N -0.74 4.67 -4.84 -4.62 4.32 0.18 -4.63 117.00 111.32 1wm4 n LEU 120 Ca 0.13 -2.43 -0.36 0.00 -0.02 0.00 0.00 56.01 53.33 1wm4 n LEU 120 Cb 0.32 -0.67 -0.06 0.00 -1.62 0.00 0.00 43.42 41.40 1wm4 n LEU 120 CO 0.25 0.70 0.20 -1.61 -1.22 0.00 0.00 177.39 175.71 1wm4 s GLU 121 N -1.92 3.97 0.05 3.23 0.41 -1.25 -4.99 118.70 118.20 1wm4 s GLU 121 Ca 0.32 0.47 -0.27 0.00 -0.41 0.00 0.00 54.97 55.08 1wm4 s GLU 121 Cb 0.26 -3.01 -0.17 0.00 -1.78 0.00 0.00 34.13 29.43 1wm4 s GLU 121 CO 0.07 0.54 1.54 0.93 -0.49 0.00 0.00 175.26 177.85 1wm4 h GLU 122 N 3.84 -0.34 0.00 1.61 3.07 -1.96 -1.04 114.58 119.75 1wm4 h GLU 122 Ca -0.49 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 1wm4 h GLU 122 Cb 1.20 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1wm4 h GLU 122 CO 0.65 -0.14 0.00 -0.40 -1.40 0.00 0.00 179.01 177.73 1wm4 n ASP 123 N -5.19 0.56 -0.06 1.42 5.68 -1.26 0.70 116.55 118.40 1wm4 n ASP 123 Ca -0.10 0.76 -0.19 0.00 -0.50 0.00 0.00 54.79 54.77 1wm4 n ASP 123 Cb 0.20 -0.83 -0.13 0.00 -1.14 0.00 0.00 41.12 39.22 1wm4 n ASP 123 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1wm4 h PHE 124 N 0.00 0.12 0.00 2.11 3.57 -1.66 -3.13 116.94 117.96 1wm4 h PHE 124 Ca 0.00 -0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.35 1wm4 h PHE 124 Cb 0.01 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1wm4 h PHE 124 CO 0.00 1.34 -0.28 0.82 -2.23 0.00 0.00 178.31 177.96 1wm4 h ILE 125 N -0.81 0.55 0.28 1.41 1.08 -0.46 -2.89 117.51 116.67 1wm4 h ILE 125 Ca -0.21 -1.45 -0.01 0.00 -0.39 0.00 0.00 64.86 62.79 1wm4 h ILE 125 Cb 1.32 2.01 0.00 0.00 -3.07 0.00 0.00 36.82 37.09 1wm4 h ILE 125 CO -0.06 0.27 -0.13 -0.09 -0.69 0.00 0.00 178.15 177.44 1wm4 h ARG 126 N 0.00 -0.36 0.00 2.37 2.43 0.15 0.44 114.38 119.41 1wm4 h ARG 126 Ca -0.00 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1wm4 h ARG 126 Cb 0.99 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1wm4 h ARG 126 CO 0.04 -0.01 -0.01 0.77 -1.51 0.00 0.00 179.97 179.24 1wm4 h SER 127 N -0.79 0.00 0.20 -3.80 0.02 -1.59 0.48 113.55 108.08 1wm4 h SER 127 Ca -0.04 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.56 1wm4 h SER 127 Cb 0.51 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.06 1wm4 h SER 127 CO 0.06 0.01 -1.74 -0.33 -1.14 0.00 0.00 176.83 173.69 1wm4 h GLU 128 N 0.00 0.40 0.01 3.45 3.07 -1.27 -3.33 114.58 116.90 1wm4 h GLU 128 Ca -0.00 -0.68 -0.25 0.00 -0.50 0.00 0.00 59.36 57.93 1wm4 h GLU 128 Cb 0.15 0.25 0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1wm4 h GLU 128 CO 0.00 1.32 -1.02 -0.07 -1.40 0.00 0.00 179.01 177.84 1wm4 h LEU 129 N 0.11 0.72 0.00 1.33 3.38 0.62 -2.39 115.31 119.08 1wm4 h LEU 129 Ca -0.34 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.04 1wm4 h LEU 129 Cb 2.10 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.63 1wm4 h LEU 129 CO 0.18 1.39 0.09 1.17 0.09 0.00 0.00 178.44 181.36 1wm4 n LYS 130 N -3.79 0.00 -2.41 1.13 0.00 0.16 -4.84 118.16 108.42 1wm4 n LYS 130 Ca -0.09 0.30 -0.03 0.00 0.00 0.00 0.00 58.31 58.49 1wm4 n LYS 130 Cb 0.87 -1.59 -0.02 0.00 0.00 0.00 0.00 35.03 34.29 1wm4 n LYS 130 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1wm4 n LYS 131 N -1.27 -4.67 0.00 1.64 4.81 -0.90 -5.02 118.16 112.76 1wm4 n LYS 131 Ca 0.00 3.47 0.00 0.00 -0.87 0.00 0.00 58.31 60.91 1wm4 n LYS 131 Cb 0.09 -4.70 0.00 0.00 0.02 0.00 0.00 35.03 30.44 1wm4 n LYS 131 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wm4 n ALA 132 N 1.68 1.26 -0.86 3.14 0.00 -1.26 -5.03 120.51 119.44 1wm4 n ALA 132 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.89 1wm4 n ALA 132 Cb 0.33 0.01 0.09 0.00 0.00 0.00 0.00 19.45 19.88 1wm4 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wm4 n GLY 133 N 0.82 -3.01 3.22 0.00 0.00 -1.26 -5.01 105.19 99.96 1wm4 n GLY 133 Ca 0.00 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 1wm4 n GLY 133 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wm4 s GLY 134 N -1.58 1.31 0.00 -0.02 0.00 -1.26 -5.06 107.32 100.71 1wm4 s GLY 134 Ca 0.49 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 43.58 1wm4 s GLY 134 CO 0.72 -1.46 0.62 0.00 0.00 0.00 0.00 173.10 172.98 1wm4 n ALA 135 N -0.25 2.29 -0.28 3.20 0.00 -1.26 -5.04 120.51 119.17 1wm4 n ALA 135 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1wm4 n ALA 135 Cb 0.65 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1wm4 n ALA 135 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wm4 n ASN 136 N 0.00 0.00 0.00 0.00 5.03 -1.26 -4.64 115.26 114.39 1wm4 n ASN 136 Ca -0.11 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.34 1wm4 n ASN 136 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.28 1wm4 n ASN 136 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1wm4 n TYR 137 N 0.00 0.00 0.00 3.10 9.36 -1.26 -4.08 117.16 124.28 1wm4 n TYR 137 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1wm4 n TYR 137 Cb 0.00 -1.37 0.00 0.00 -0.63 0.00 0.00 39.34 37.34 1wm4 n TYR 137 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1wm4 n ASP 138 N 0.26 0.00 -3.27 2.98 2.03 -1.26 -5.08 116.55 112.21 1wm4 n ASP 138 Ca 0.00 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.11 1wm4 n ASP 138 Cb 0.22 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.55 1wm4 n ASP 138 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wm4 s ALA 139 N -1.00 0.22 0.00 -1.67 0.00 -1.26 -5.06 121.76 112.99 1wm4 s ALA 139 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.32 1wm4 s ALA 139 Cb 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.19 1wm4 s ALA 139 CO 0.00 -2.08 0.00 1.04 0.00 0.00 0.00 175.76 174.72 1wm4 n GLN 140 N 3.32 0.00 0.00 0.00 6.02 -1.26 -3.53 117.38 121.93 1wm4 n GLN 140 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 1wm4 n GLN 140 Cb 0.48 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.74 1wm4 n GLN 140 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1wm4 n SER 141 N 5.05 0.00 -0.54 1.08 3.41 -1.26 -4.36 113.62 117.00 1wm4 n SER 141 Ca 0.00 -0.33 0.14 0.00 -0.26 0.00 0.00 58.87 58.42 1wm4 n SER 141 Cb 0.00 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.42 1wm4 n SER 141 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26