#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 0.00 -2.65 3.04 0.00 -1.26 -5.11 120.51 114.52 1wm4 n ALA 2 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1wm4 n ALA 2 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 0.00 5.18 -0.06 0.00 2.01 -1.26 -5.04 115.64 116.46 1wm4 s THR 3 Ca 0.00 0.28 -0.02 0.00 0.31 0.00 0.00 61.69 62.26 1wm4 s THR 3 Cb 0.00 -3.62 0.03 0.00 0.01 0.00 0.00 72.50 68.93 1wm4 s THR 3 CO 0.00 0.27 0.06 -0.54 -0.69 0.00 0.00 174.62 173.72 1wm4 s LYS 4 N -1.99 -0.00 0.06 4.92 1.02 -1.26 -5.12 119.74 117.37 1wm4 s LYS 4 Ca 0.32 0.28 0.06 0.00 0.02 0.00 0.00 55.97 56.66 1wm4 s LYS 4 Cb -0.13 -0.75 -0.04 0.00 -0.52 0.00 0.00 37.83 36.39 1wm4 s LYS 4 CO 0.19 -0.38 -0.13 -1.50 -0.92 0.00 0.00 175.35 172.61 1wm4 s ILE 5 N 2.15 3.19 -1.20 2.17 2.07 -1.26 -2.48 121.20 125.85 1wm4 s ILE 5 Ca 0.04 -1.16 -0.05 0.00 -1.41 0.00 0.00 60.65 58.08 1wm4 s ILE 5 Cb -0.13 -2.42 0.21 0.00 0.13 0.00 0.00 42.46 40.25 1wm4 s ILE 5 CO -0.04 0.24 2.01 -0.67 -1.91 0.00 0.00 174.94 174.58 1wm4 n ASP 6 N 1.16 7.15 0.21 4.50 2.03 -1.18 -4.73 116.55 125.70 1wm4 n ASP 6 Ca -0.15 -3.34 0.16 0.00 0.52 0.00 0.00 54.79 51.98 1wm4 n ASP 6 Cb 0.52 -1.31 0.82 0.00 -0.72 0.00 0.00 41.12 40.44 1wm4 n ASP 6 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1wm4 h LYS 7 N 4.78 0.00 -0.54 -0.67 5.09 -1.96 -1.75 116.57 121.52 1wm4 h LYS 7 Ca 0.54 0.00 0.09 0.00 0.09 0.00 0.00 60.65 61.36 1wm4 h LYS 7 Cb 0.40 0.00 -0.07 0.00 0.10 0.00 0.00 32.23 32.66 1wm4 h LYS 7 CO 1.39 0.00 0.16 0.93 -2.09 0.00 0.00 179.45 179.85 1wm4 h GLU 8 N 0.00 0.31 0.18 0.07 5.08 -1.97 0.13 114.58 118.38 1wm4 h GLU 8 Ca 0.07 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1wm4 h GLU 8 Cb 0.39 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1wm4 h GLU 8 CO -0.00 0.21 -0.09 0.00 -1.00 0.00 0.00 179.01 178.13 1wm4 h ALA 9 N 1.39 -1.02 -0.55 3.43 0.00 -1.72 -1.71 119.26 119.08 1wm4 h ALA 9 Ca 0.27 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.20 1wm4 h ALA 9 Cb 0.34 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 1wm4 h ALA 9 CO -0.31 -1.01 -0.52 0.00 0.00 0.00 0.00 179.25 177.41 1wm4 h ARG 11 N -0.29 -0.28 -0.86 0.00 2.43 -0.76 2.12 114.38 116.74 1wm4 h ARG 11 Ca 0.12 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.44 1wm4 h ARG 11 Cb 0.56 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.11 1wm4 h ARG 11 CO -0.68 -0.19 0.56 0.00 -1.51 0.00 0.00 179.97 178.16 1wm4 h ALA 12 N 0.16 1.81 0.00 2.80 0.00 -0.32 0.51 119.26 124.21 1wm4 h ALA 12 Ca 0.11 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1wm4 h ALA 12 Cb 0.55 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wm4 h ALA 12 CO -0.69 -0.02 -0.34 0.00 0.00 0.00 0.00 179.25 178.19 1wm4 h ALA 13 N 1.60 0.82 0.15 0.00 0.00 0.18 -3.01 119.26 118.99 1wm4 h ALA 13 Ca 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1wm4 h ALA 13 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1wm4 h ALA 13 CO -0.18 0.00 -0.07 1.88 0.00 0.00 0.00 179.25 180.88 1wm4 h TYR 14 N 0.00 -0.18 0.00 0.00 -1.99 0.55 -3.13 116.97 112.22 1wm4 h TYR 14 Ca 0.00 -0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.67 1wm4 h TYR 14 Cb 0.96 0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.74 1wm4 h TYR 14 CO 0.00 0.27 -0.24 -0.91 -0.00 0.00 0.00 178.16 177.28 1wm4 h ASN 15 N -0.83 0.00 0.68 3.88 -0.26 -1.55 -3.19 115.58 114.31 1wm4 h ASN 15 Ca -0.02 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.69 1wm4 h ASN 15 Cb 0.54 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.79 1wm4 h ASN 15 CO 0.03 0.24 -0.44 0.25 -1.06 0.00 0.00 177.43 176.46 1wm4 h LEU 16 N 0.00 -1.11 -1.67 1.61 5.85 -1.53 -0.57 115.31 117.89 1wm4 h LEU 16 Ca -0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1wm4 h LEU 16 Cb 0.61 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1wm4 h LEU 16 CO 0.03 -0.66 0.40 -0.37 -0.34 0.00 0.00 178.44 177.50 1wm4 h VAL 17 N -1.05 0.00 -0.46 1.05 -1.51 -1.53 0.84 116.25 113.60 1wm4 h VAL 17 Ca -0.09 0.00 0.11 0.00 -1.23 0.00 0.00 66.70 65.49 1wm4 h VAL 17 Cb 0.84 0.56 -0.02 0.00 -2.13 0.00 0.00 31.29 30.54 1wm4 h VAL 17 CO 0.08 0.00 0.32 -0.09 -1.23 0.00 0.00 177.57 176.65 1wm4 h ARG 18 N 0.00 0.13 -7.34 5.19 2.43 -1.13 -3.40 114.38 110.26 1wm4 h ARG 18 Ca 0.00 -0.01 -0.51 0.00 -0.81 0.00 0.00 59.98 58.65 1wm4 h ARG 18 Cb 0.79 -0.03 0.10 0.00 -0.42 0.00 0.00 29.97 30.41 1wm4 h ARG 18 CO 0.00 0.09 0.37 0.34 -1.51 0.00 0.00 179.97 179.26 1wm4 s ASP 19 N -6.38 5.35 -0.32 -3.80 2.15 0.29 -4.82 116.67 109.14 1wm4 s ASP 19 Ca -0.06 1.60 -0.03 0.00 0.43 0.00 0.00 52.55 54.49 1wm4 s ASP 19 Cb 0.19 -2.47 -0.03 0.00 -0.30 0.00 0.00 42.92 40.31 1wm4 s ASP 19 CO 0.73 -1.46 1.40 0.47 -0.17 0.00 0.00 175.17 176.14 1wm4 n ASP 20 N -3.14 1.72 0.00 -0.34 8.00 -1.26 -3.98 116.55 117.55 1wm4 n ASP 20 Ca 0.07 -2.13 0.00 0.00 0.71 0.00 0.00 54.79 53.44 1wm4 n ASP 20 Cb 0.54 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 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 3.96 1.99 5.28 0.44 0.00 -1.26 -5.03 105.19 110.57 1wm4 n GLY 21 Ca 0.17 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 1.61 7.64 -1.26 -4.62 113.62 117.00 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 2.00 0.00 -2.91 -0.43 0.00 -1.26 -5.00 120.51 112.91 1wm4 n ALA 23 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1wm4 n ALA 23 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1wm4 n ALA 23 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1wm4 n VAL 24 N 5.86 -2.09 -0.36 0.00 0.24 -1.26 -4.29 118.33 116.43 1wm4 n VAL 24 Ca 0.00 0.02 0.27 0.00 -2.04 0.00 0.00 64.34 62.59 1wm4 n VAL 24 Cb 0.00 -1.89 0.53 0.00 -1.47 0.00 0.00 33.84 31.01 1wm4 n VAL 24 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 1wm4 h ILE 25 N 0.72 0.27 -3.63 1.34 2.10 -0.70 -3.42 117.51 114.20 1wm4 h ILE 25 Ca -0.37 -0.09 -0.07 0.00 1.08 0.00 0.00 64.86 65.41 1wm4 h ILE 25 Cb 0.84 -0.01 -0.12 0.00 -1.09 0.00 0.00 36.82 36.44 1wm4 h ILE 25 CO 0.18 0.05 -0.20 -1.66 -1.08 0.00 0.00 178.15 175.44 1wm4 s TRP 26 N -5.53 0.08 -0.01 2.19 1.48 -1.23 -3.82 118.94 112.10 1wm4 s TRP 26 Ca -0.09 -0.45 0.03 0.00 -1.06 0.00 0.00 56.10 54.53 1wm4 s TRP 26 Cb 0.30 0.11 -0.01 0.00 -1.16 0.00 0.00 33.47 32.71 1wm4 s TRP 26 CO 0.80 -0.71 -0.09 0.14 -4.06 0.00 0.00 176.95 173.03 1wm4 s VAL 27 N -3.88 0.69 -0.01 -0.66 -7.23 -1.25 -3.41 120.40 104.64 1wm4 s VAL 27 Ca 0.09 -0.36 0.04 0.00 -1.81 0.00 0.00 61.98 59.94 1wm4 s VAL 27 Cb 0.02 -0.58 -0.01 0.00 0.56 0.00 0.00 36.38 36.37 1wm4 s VAL 27 CO -0.06 0.20 -0.14 0.42 -0.31 0.00 0.00 175.10 175.20 1wm4 s THR 28 N -0.14 1.13 -0.05 5.32 -4.23 -1.21 -3.83 115.64 112.63 1wm4 s THR 28 Ca 0.02 -0.61 0.04 0.00 -1.18 0.00 0.00 61.69 59.96 1wm4 s THR 28 Cb -0.04 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.86 1wm4 s THR 28 CO -0.00 0.32 -0.16 0.72 -0.54 0.00 0.00 174.62 174.95 1wm4 s PHE 29 N -0.33 1.72 0.05 3.99 -0.71 -1.25 0.11 117.98 121.55 1wm4 s PHE 29 Ca 0.05 -0.56 0.03 0.00 -1.04 0.00 0.00 56.93 55.42 1wm4 s PHE 29 Cb -0.06 -1.18 -0.04 0.00 -1.21 0.00 0.00 43.02 40.53 1wm4 s PHE 29 CO -0.01 -0.22 -0.01 -0.98 -1.34 0.00 0.00 175.22 172.67 1wm4 s ARG 30 N 0.24 2.64 -0.82 1.99 1.70 -1.03 -4.00 118.95 119.66 1wm4 s ARG 30 Ca -0.08 -0.74 -0.27 0.00 -0.47 0.00 0.00 55.73 54.17 1wm4 s ARG 30 Cb -0.13 -2.59 -0.18 0.00 -0.57 0.00 0.00 34.95 31.48 1wm4 s ARG 30 CO 0.03 0.58 2.55 0.66 -1.08 0.00 0.00 175.30 178.04 1wm4 n TYR 31 N 0.98 0.83 -3.18 5.89 4.01 -1.26 -3.72 117.16 120.70 1wm4 n TYR 31 Ca -0.13 0.24 -0.45 0.00 -0.16 0.00 0.00 57.90 57.41 1wm4 n TYR 31 Cb 0.52 -2.32 -0.05 0.00 -0.31 0.00 0.00 39.34 37.18 1wm4 n TYR 31 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1wm4 s ASP 32 N 9.43 6.19 1.92 7.72 1.01 -0.63 -4.92 116.67 137.38 1wm4 s ASP 32 Ca 1.21 -1.35 0.00 0.00 0.71 0.00 0.00 52.55 53.12 1wm4 s ASP 32 Cb -0.81 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 40.85 1wm4 s ASP 32 CO 0.40 -0.97 0.00 0.61 0.21 0.00 0.00 175.17 175.42 1wm4 n GLY 33 N 5.24 4.21 1.27 0.21 0.00 -1.26 -1.47 105.19 113.38 1wm4 n GLY 33 Ca -0.10 0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 12.64 3.61 -3.27 4.61 0.00 -1.26 -4.95 120.51 131.89 1wm4 n ALA 34 Ca 0.00 -2.40 -0.13 0.00 0.00 0.00 0.00 53.44 50.91 1wm4 n ALA 34 Cb 0.00 -0.87 -0.13 0.00 0.00 0.00 0.00 19.45 18.45 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 -2.92 -0.01 -0.37 0.00 2.01 -0.55 -4.50 115.64 109.29 1wm4 s THR 35 Ca 0.47 0.05 -0.28 0.00 0.31 0.00 0.00 61.69 62.24 1wm4 s THR 35 Cb 0.38 -0.29 0.02 0.00 0.01 0.00 0.00 72.50 72.62 1wm4 s THR 35 CO 0.09 0.02 1.03 -0.63 -0.69 0.00 0.00 174.62 174.44 1wm4 s ILE 36 N 0.44 4.48 0.06 1.82 1.09 -1.03 -1.61 121.20 126.44 1wm4 s ILE 36 Ca -0.03 1.42 0.02 0.00 -1.10 0.00 0.00 60.65 60.97 1wm4 s ILE 36 Cb -0.04 -4.42 -0.03 0.00 -1.06 0.00 0.00 42.46 36.91 1wm4 s ILE 36 CO -0.02 -0.61 -0.08 0.68 -0.10 0.00 0.00 174.94 174.81 1wm4 s VAL 37 N 3.74 0.62 0.25 2.92 -7.23 -1.24 -3.10 120.40 116.36 1wm4 s VAL 37 Ca 0.43 -1.27 -0.15 0.00 -1.81 0.00 0.00 61.98 59.18 1wm4 s VAL 37 Cb -0.11 -0.86 -0.10 0.00 0.56 0.00 0.00 36.38 35.86 1wm4 s VAL 37 CO 0.20 -0.47 0.10 -2.65 -0.31 0.00 0.00 175.10 171.97 1wm4 n PRO 38 N 1.14 0.00 0.00 4.82 -0.02 -1.26 -2.47 135.00 137.21 1wm4 n PRO 38 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 1wm4 n PRO 38 Cb 0.56 -0.66 0.00 0.00 -0.02 0.00 0.00 33.50 33.38 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 1.50 0.00 3.30 -1.23 0.00 0.12 -4.47 105.19 104.41 1wm4 n GLY 39 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.30 -0.93 -2.89 1.61 8.00 -0.96 -4.97 116.55 115.12 1wm4 n ASP 40 Ca 0.00 -3.12 -0.11 0.00 0.71 0.00 0.00 54.79 52.27 1wm4 n ASP 40 Cb 0.06 1.97 0.01 0.00 -0.02 0.00 0.00 41.12 43.15 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 -3.19 2.22 -0.28 -1.24 1.03 -1.26 -3.30 119.66 113.63 1wm4 s GLN 41 Ca 0.37 -1.57 -0.19 0.00 0.04 0.00 0.00 55.36 54.01 1wm4 s GLN 41 Cb 0.01 0.58 0.11 0.00 0.03 0.00 0.00 33.01 33.74 1wm4 s GLN 41 CO 0.26 -1.01 0.84 0.20 -2.54 0.00 0.00 175.29 173.04 1wm4 s GLY 42 N -3.13 -0.34 0.00 2.60 0.00 -1.22 -4.81 107.32 100.41 1wm4 s GLY 42 Ca 0.20 2.64 0.18 0.00 0.00 0.00 0.00 44.72 47.73 1wm4 s GLY 42 CO 0.14 2.28 0.97 0.00 0.00 0.00 0.00 173.10 176.49 1wm4 n ALA 43 N 3.54 2.98 -3.73 3.20 0.00 -1.26 -0.06 120.51 125.18 1wm4 n ALA 43 Ca -0.17 -0.59 -0.09 0.00 0.00 0.00 0.00 53.44 52.59 1wm4 n ALA 43 Cb 0.57 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.41 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 -1.86 -0.01 0.09 0.00 1.01 -1.26 -4.48 116.67 110.16 1wm4 s ASP 44 Ca 0.17 -1.01 -0.15 0.00 0.71 0.00 0.00 52.55 52.27 1wm4 s ASP 44 Cb 0.15 0.79 -0.11 0.00 1.01 0.00 0.00 42.92 44.77 1wm4 s ASP 44 CO 0.37 -1.55 1.38 0.22 0.21 0.00 0.00 175.17 175.80 1wm4 h TYR 45 N 2.02 0.85 -1.31 4.23 5.03 -2.00 -3.09 116.97 122.71 1wm4 h TYR 45 Ca -0.28 -0.29 0.42 0.00 2.58 0.00 0.00 58.73 61.16 1wm4 h TYR 45 Cb 1.25 -0.17 -0.12 0.00 1.55 0.00 0.00 36.73 39.24 1wm4 h TYR 45 CO 1.08 1.05 0.85 1.96 -1.32 0.00 0.00 178.16 181.78 1wm4 h GLN 46 N 0.41 0.11 0.00 1.82 7.50 -2.01 1.90 115.11 124.85 1wm4 h GLN 46 Ca 0.02 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.16 1wm4 h GLN 46 Cb 0.96 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 28.46 1wm4 h GLN 46 CO 0.09 0.08 -0.04 1.25 -1.50 0.00 0.00 178.83 178.70 1wm4 h HIS 47 N 0.12 0.00 0.00 2.96 2.76 -1.90 -0.02 115.15 119.07 1wm4 h HIS 47 Ca 0.79 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.92 1wm4 h HIS 47 Cb 2.48 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 31.44 1wm4 h HIS 47 CO -0.00 0.04 -0.17 0.27 -1.30 0.00 0.00 177.93 176.77 1wm4 h PHE 48 N 0.00 0.00 0.07 5.26 -5.15 0.28 -2.30 116.94 115.11 1wm4 h PHE 48 Ca -0.00 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1wm4 h PHE 48 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.35 1wm4 h PHE 48 CO 0.00 0.17 -0.03 0.82 -2.00 0.00 0.00 178.31 177.26 1wm4 h ILE 49 N 0.00 0.99 0.00 0.88 2.04 -1.06 0.88 117.51 121.24 1wm4 h ILE 49 Ca -0.00 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.36 1wm4 h ILE 49 Cb 0.55 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1wm4 h ILE 49 CO 0.02 0.30 0.00 1.67 0.00 0.00 0.00 178.15 180.14 1wm4 n GLN 50 N -4.79 0.20 -0.09 2.37 0.00 -1.19 -1.71 117.38 112.17 1wm4 n GLN 50 Ca -0.07 0.11 -0.11 0.00 -0.00 0.00 0.00 57.00 56.93 1wm4 n GLN 50 Cb 0.28 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 28.93 1wm4 n GLN 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1wm4 n GLN 51 N -1.15 0.76 -1.60 3.69 1.13 -0.87 -4.98 117.38 114.37 1wm4 n GLN 51 Ca 0.05 0.08 -0.50 0.00 -1.94 0.00 0.00 57.00 54.69 1wm4 n GLN 51 Cb 0.05 -1.36 -0.05 0.00 0.11 0.00 0.00 30.24 28.99 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 0.16 -1.00 -1.86 0.00 -4.23 -1.26 -4.98 115.64 102.47 1wm4 s THR 53 Ca 0.78 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.29 1wm4 s THR 53 Cb -0.86 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 71.98 1wm4 s THR 53 CO 0.49 0.00 0.31 0.47 -0.54 0.00 0.00 174.62 175.35 1wm4 n ASP 54 N 5.44 0.05 -0.09 3.99 8.00 -1.26 -1.42 116.55 131.26 1wm4 n ASP 54 Ca -0.07 -0.67 0.06 0.00 0.71 0.00 0.00 54.79 54.82 1wm4 n ASP 54 Cb 0.50 -0.02 0.08 0.00 -0.02 0.00 0.00 41.12 41.66 1wm4 n ASP 54 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1wm4 n ASP 55 N -0.39 1.93 -4.11 -2.24 2.03 -1.26 -1.55 116.55 110.97 1wm4 n ASP 55 Ca 0.00 -2.59 -0.12 0.00 0.52 0.00 0.00 54.79 52.60 1wm4 n ASP 55 Cb 0.01 -0.27 -0.11 0.00 -0.72 0.00 0.00 41.12 40.04 1wm4 n ASP 55 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wm4 s VAL 56 N -1.95 0.63 -0.05 5.18 0.11 -0.51 -4.84 120.40 118.97 1wm4 s VAL 56 Ca 0.18 -1.45 0.02 0.00 -2.93 0.00 0.00 61.98 57.80 1wm4 s VAL 56 Cb 0.16 -1.08 0.01 0.00 -1.53 0.00 0.00 36.38 33.94 1wm4 s VAL 56 CO 0.02 -0.59 -0.09 0.00 -3.33 0.00 0.00 175.10 171.11 1wm4 s ARG 57 N -2.54 1.19 0.05 1.54 3.03 -1.26 -1.27 118.95 119.68 1wm4 s ARG 57 Ca -0.00 -0.28 -0.28 0.00 2.03 0.00 0.00 55.73 57.20 1wm4 s ARG 57 Cb -0.04 -1.07 0.10 0.00 -1.03 0.00 0.00 34.95 32.92 1wm4 s ARG 57 CO -0.02 0.02 1.18 -0.48 -1.13 0.00 0.00 175.30 174.87 1wm4 s LEU 58 N 0.59 -0.07 0.15 -1.89 0.05 -0.26 -4.59 118.68 112.67 1wm4 s LEU 58 Ca -0.10 -0.28 0.05 0.00 0.05 0.00 0.00 54.13 53.85 1wm4 s LEU 58 Cb -0.13 1.64 -0.04 0.00 -2.05 0.00 0.00 46.19 45.61 1wm4 s LEU 58 CO 0.02 -0.53 0.12 -0.36 -0.55 0.00 0.00 176.35 175.04 1wm4 s PHE 59 N -2.54 3.13 0.08 3.48 0.40 -1.26 0.14 117.98 121.42 1wm4 s PHE 59 Ca 0.17 -0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.51 1wm4 s PHE 59 Cb 0.02 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 1wm4 s PHE 59 CO -0.01 0.52 -0.07 0.00 0.70 0.00 0.00 175.22 176.36 1wm4 s ALA 60 N -1.68 0.86 -0.31 5.36 0.00 0.11 -3.97 121.76 122.12 1wm4 s ALA 60 Ca 0.30 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 51.10 1wm4 s ALA 60 Cb -0.10 0.12 0.14 0.00 0.00 0.00 0.00 23.12 23.28 1wm4 s ALA 60 CO 0.23 -0.17 0.33 0.12 0.00 0.00 0.00 175.76 176.28 1wm4 s PHE 61 N -2.93 -0.51 0.13 0.00 5.36 -1.25 0.24 117.98 119.02 1wm4 s PHE 61 Ca 0.05 -0.26 0.09 0.00 -0.96 0.00 0.00 56.93 55.85 1wm4 s PHE 61 Cb 0.01 -0.40 -0.04 0.00 -0.34 0.00 0.00 43.02 42.24 1wm4 s PHE 61 CO -0.03 -0.95 -0.16 0.54 -1.46 0.00 0.00 175.22 173.16 1wm4 s VAL 62 N 2.15 2.94 -0.51 3.12 0.11 -1.25 -3.88 120.40 123.08 1wm4 s VAL 62 Ca 0.11 -1.53 -0.28 0.00 -2.93 0.00 0.00 61.98 57.35 1wm4 s VAL 62 Cb -0.14 -2.38 0.03 0.00 -1.53 0.00 0.00 36.38 32.37 1wm4 s VAL 62 CO -0.25 0.05 1.14 -0.60 -3.33 0.00 0.00 175.10 172.11 1wm4 s ARG 63 N -2.30 3.63 0.41 1.54 3.52 -1.25 -4.01 118.95 120.50 1wm4 s ARG 63 Ca 0.20 0.41 -0.09 0.00 -0.13 0.00 0.00 55.73 56.12 1wm4 s ARG 63 Cb -0.10 -3.95 -0.06 0.00 -1.56 0.00 0.00 34.95 29.28 1wm4 s ARG 63 CO 0.11 -1.48 0.76 -0.06 -0.81 0.00 0.00 175.30 173.82 1wm4 s PHE 64 N 4.58 3.49 0.68 5.12 0.40 0.55 -4.79 117.98 128.00 1wm4 s PHE 64 Ca 0.45 0.98 -0.11 0.00 -0.60 0.00 0.00 56.93 57.65 1wm4 s PHE 64 Cb -0.07 -2.40 -0.00 0.00 0.51 0.00 0.00 43.02 41.05 1wm4 s PHE 64 CO 0.29 -0.13 1.06 0.95 0.70 0.00 0.00 175.22 178.09 1wm4 s THR 65 N -2.43 4.13 -0.55 0.64 -4.23 -1.26 0.33 115.64 112.27 1wm4 s THR 65 Ca 0.50 0.69 0.02 0.00 -1.18 0.00 0.00 61.69 61.72 1wm4 s THR 65 Cb -0.10 -3.56 0.43 0.00 1.34 0.00 0.00 72.50 70.60 1wm4 s THR 65 CO 0.34 -0.90 1.61 1.07 -0.54 0.00 0.00 174.62 176.19 1wm4 n THR 66 N -3.00 3.06 0.00 3.99 5.66 -1.26 -4.32 114.28 118.41 1wm4 n THR 66 Ca 0.07 -3.96 0.00 0.00 -3.05 0.00 0.00 64.05 57.11 1wm4 n THR 66 Cb 0.54 -1.19 0.00 0.00 -1.55 0.00 0.00 70.33 68.13 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 -0.70 2.12 2.46 1.09 0.00 -1.26 -4.52 105.19 104.38 1wm4 n GLY 67 Ca 0.51 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 46.11 1wm4 n GLY 67 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wm4 s ASP 68 N 0.00 1.96 0.93 1.61 1.47 -1.26 -5.12 116.67 116.26 1wm4 s ASP 68 Ca 0.00 -3.09 -0.15 0.00 1.18 0.00 0.00 52.55 50.50 1wm4 s ASP 68 Cb 0.00 -0.58 -0.04 0.00 -0.34 0.00 0.00 42.92 41.96 1wm4 s ASP 68 CO 0.00 -0.17 0.01 0.00 0.68 0.00 0.00 175.17 175.69 1wm4 n ALA 69 N 2.84 -3.44 -0.91 2.11 0.00 -1.26 -4.92 120.51 114.93 1wm4 n ALA 69 Ca 0.27 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1wm4 n ALA 69 Cb 0.45 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.14 -0.03 0.00 0.00 1.56 -1.26 -5.09 117.12 112.16 1wm4 n MET 70 Ca 0.04 -0.14 0.00 0.00 -0.27 0.00 0.00 57.70 57.33 1wm4 n MET 70 Cb 0.54 -0.54 0.00 0.00 2.15 0.00 0.00 33.22 35.36 1wm4 n MET 70 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1wm4 n SER 71 N -0.01 0.00 -4.27 6.12 7.64 -1.26 -5.02 113.62 116.83 1wm4 n SER 71 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1wm4 n SER 71 Cb 0.27 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.45 1wm4 n SER 71 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1wm4 s LYS 72 N 0.00 3.90 0.00 1.43 2.20 -1.26 -4.80 119.74 121.20 1wm4 s LYS 72 Ca 0.00 -3.22 0.00 0.00 -0.36 0.00 0.00 55.97 52.39 1wm4 s LYS 72 Cb 0.00 -4.37 0.00 0.00 -1.51 0.00 0.00 37.83 31.95 1wm4 s LYS 72 CO 0.00 -1.25 0.00 0.54 -0.36 0.00 0.00 175.35 174.28 1wm4 n ARG 73 N 2.62 0.00 -1.40 4.03 1.74 -1.26 -5.15 116.66 117.24 1wm4 n ARG 73 Ca 0.23 0.00 0.17 0.00 -0.77 0.00 0.00 57.85 57.48 1wm4 n ARG 73 Cb 0.39 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.75 1wm4 n ARG 73 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wm4 n SER 74 N 0.00 -7.91 -4.83 0.55 2.88 -1.26 -4.88 113.62 98.18 1wm4 n SER 74 Ca 0.00 1.09 -0.26 0.00 -1.33 0.00 0.00 58.87 58.37 1wm4 n SER 74 Cb 0.00 -4.60 -0.05 0.00 -0.75 0.00 0.00 64.21 58.81 1wm4 n SER 74 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1wm4 s LYS 75 N -3.61 3.00 -0.10 -1.46 -0.14 0.98 -4.79 119.74 113.62 1wm4 s LYS 75 Ca 0.00 -0.82 -0.01 0.00 -1.36 0.00 0.00 55.97 53.78 1wm4 s LYS 75 Cb 0.00 -2.71 0.03 0.00 -1.68 0.00 0.00 37.83 33.47 1wm4 s LYS 75 CO 0.00 0.49 -0.02 -0.06 -0.76 0.00 0.00 175.35 175.00 1wm4 s PHE 76 N -1.75 1.01 0.18 3.18 0.08 -1.26 -0.33 117.98 119.08 1wm4 s PHE 76 Ca 0.32 -0.46 -0.05 0.00 0.12 0.00 0.00 56.93 56.85 1wm4 s PHE 76 Cb -0.10 -0.98 -0.02 0.00 -0.57 0.00 0.00 43.02 41.34 1wm4 s PHE 76 CO 0.24 -0.43 0.22 0.00 -0.10 0.00 0.00 175.22 175.15 1wm4 s ALA 77 N 1.86 0.48 0.13 5.36 0.00 -1.26 0.33 121.76 128.66 1wm4 s ALA 77 Ca 0.04 -1.24 0.07 0.00 0.00 0.00 0.00 51.96 50.83 1wm4 s ALA 77 Cb -0.13 1.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 1wm4 s ALA 77 CO -0.07 -0.62 -0.06 -1.17 0.00 0.00 0.00 175.76 173.84 1wm4 s LEU 78 N -3.04 3.17 -0.06 0.00 2.96 -0.73 -3.78 118.68 117.20 1wm4 s LEU 78 Ca 0.25 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 1wm4 s LEU 78 Cb 0.05 -1.91 0.02 0.00 0.50 0.00 0.00 46.19 44.84 1wm4 s LEU 78 CO 0.05 0.15 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.50 1wm4 s ILE 79 N -1.42 0.96 -0.35 6.68 1.01 0.14 0.11 121.20 128.34 1wm4 s ILE 79 Ca 0.24 -0.37 -0.16 0.00 0.00 0.00 0.00 60.65 60.36 1wm4 s ILE 79 Cb -0.10 -0.90 -0.01 0.00 0.01 0.00 0.00 42.46 41.45 1wm4 s ILE 79 CO 0.16 0.32 0.42 -0.89 0.00 0.00 0.00 174.94 174.95 1wm4 s THR 80 N 0.77 5.11 -0.41 2.92 2.01 0.12 0.05 115.64 126.20 1wm4 s THR 80 Ca -0.13 0.15 -0.20 0.00 0.31 0.00 0.00 61.69 61.82 1wm4 s THR 80 Cb -0.15 -3.88 0.02 0.00 0.01 0.00 0.00 72.50 68.50 1wm4 s THR 80 CO 0.02 -0.14 0.58 0.86 -0.69 0.00 0.00 174.62 175.25 1wm4 s TRP 81 N 2.16 3.11 -0.68 4.92 -0.11 0.37 -2.11 118.94 126.59 1wm4 s TRP 81 Ca 0.14 -0.04 -0.11 0.00 1.22 0.00 0.00 56.10 57.31 1wm4 s TRP 81 Cb -0.16 -3.18 0.18 0.00 -1.50 0.00 0.00 33.47 28.81 1wm4 s TRP 81 CO 0.12 -0.76 0.58 0.42 -4.62 0.00 0.00 176.95 172.69 1wm4 s ILE 82 N 2.61 4.88 0.30 5.86 -1.09 -1.22 -1.10 121.20 131.44 1wm4 s ILE 82 Ca 0.20 -2.34 -0.29 0.00 -2.23 0.00 0.00 60.65 55.99 1wm4 s ILE 82 Cb -0.15 -4.09 -0.10 0.00 -1.58 0.00 0.00 42.46 36.54 1wm4 s ILE 82 CO 0.17 -0.93 1.42 -0.83 -1.23 0.00 0.00 174.94 173.53 1wm4 s GLY 83 N 2.09 2.65 -0.51 6.18 0.00 -0.40 -4.85 107.32 112.47 1wm4 s GLY 83 Ca 0.14 1.37 -0.07 0.00 0.00 0.00 0.00 44.72 46.16 1wm4 s GLY 83 CO -0.05 2.18 3.36 -2.21 0.00 0.00 0.00 173.10 176.38 1wm4 n GLU 84 N 1.47 2.49 0.00 2.90 4.07 -0.59 -3.49 120.64 127.48 1wm4 n GLU 84 Ca 0.04 -1.36 0.00 0.00 -0.06 0.00 0.00 57.16 55.78 1wm4 n GLU 84 Cb 0.40 -2.24 0.00 0.00 -0.06 0.00 0.00 31.44 29.54 1wm4 n GLU 84 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1wm4 n ASP 85 N 2.87 0.00 -4.73 4.31 -0.08 -1.26 -4.89 116.55 112.77 1wm4 n ASP 85 Ca 0.53 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 53.49 1wm4 n ASP 85 Cb 0.68 0.00 0.10 0.00 2.34 0.00 0.00 41.12 44.24 1wm4 n ASP 85 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1wm4 s VAL 86 N -1.00 2.63 0.00 5.18 1.01 -1.23 -5.04 120.40 121.95 1wm4 s VAL 86 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1wm4 s VAL 86 Cb 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1wm4 s VAL 86 CO 0.00 -0.21 0.00 -1.54 0.00 0.00 0.00 175.10 173.35 1wm4 n SER 87 N -3.17 0.00 0.14 3.32 3.41 -1.26 -4.94 113.62 111.13 1wm4 n SER 87 Ca 0.12 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.85 1wm4 n SER 87 Cb 0.52 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.63 1wm4 n SER 87 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1wm4 h GLY 88 N 0.00 0.00 -0.39 5.00 0.00 -2.01 -3.35 103.07 102.32 1wm4 h GLY 88 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.49 1wm4 h GLY 88 CO 0.00 0.00 -0.09 1.41 0.00 0.00 0.00 176.54 177.86 1wm4 h LEU 89 N 0.00 -0.51 -1.65 3.11 3.38 -2.01 0.84 115.31 118.47 1wm4 h LEU 89 Ca 0.00 0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1wm4 h LEU 89 Cb 0.92 0.39 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1wm4 h LEU 89 CO 0.00 -0.21 -0.19 0.06 0.09 0.00 0.00 178.44 178.19 1wm4 h GLN 90 N 0.05 0.00 0.18 1.13 3.07 -1.93 -0.84 115.11 116.77 1wm4 h GLN 90 Ca 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 59.11 1wm4 h GLN 90 Cb 0.62 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.17 1wm4 h GLN 90 CO -0.70 0.19 -0.14 -0.09 0.09 0.00 0.00 178.83 178.18 1wm4 h ARG 91 N 0.00 -0.30 -0.04 0.06 9.65 0.52 0.16 114.38 124.42 1wm4 h ARG 91 Ca -0.00 0.02 -0.14 0.00 -1.10 0.00 0.00 59.98 58.76 1wm4 h ARG 91 Cb 0.45 0.07 0.01 0.00 -1.39 0.00 0.00 29.97 29.11 1wm4 h ARG 91 CO 0.03 -0.20 -0.51 0.00 2.80 0.00 0.00 179.97 182.08 1wm4 h ALA 92 N -1.60 0.12 0.29 2.80 0.00 -1.57 -2.72 119.26 116.58 1wm4 h ALA 92 Ca -0.02 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1wm4 h ALA 92 Cb 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1wm4 h ALA 92 CO 0.01 0.32 -0.25 0.87 0.00 0.00 0.00 179.25 180.20 1wm4 h LYS 93 N -0.07 -0.50 -0.48 0.00 1.79 -1.22 -1.42 116.57 114.68 1wm4 h LYS 93 Ca -0.05 0.03 0.10 0.00 -2.18 0.00 0.00 60.65 58.55 1wm4 h LYS 93 Cb 1.20 0.11 -0.09 0.00 -1.58 0.00 0.00 32.23 31.88 1wm4 h LYS 93 CO 0.10 -0.33 -0.09 1.15 -1.08 0.00 0.00 179.45 179.20 1wm4 h THR 94 N -0.52 0.54 -0.27 -0.16 2.02 -1.10 -0.19 112.91 113.24 1wm4 h THR 94 Ca -0.04 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.17 1wm4 h THR 94 Cb 0.44 0.52 -0.07 0.00 -1.74 0.00 0.00 68.15 67.30 1wm4 h THR 94 CO -0.01 0.00 -0.49 1.23 0.37 0.00 0.00 175.52 176.62 1wm4 h GLY 95 N 0.02 -1.13 0.81 2.16 0.00 -1.27 1.83 103.07 105.49 1wm4 h GLY 95 Ca 0.23 0.71 -0.00 0.00 0.00 0.00 0.00 47.33 48.27 1wm4 h GLY 95 CO -0.47 -0.21 -0.04 -0.84 0.00 0.00 0.00 176.54 174.98 1wm4 h THR 96 N -0.42 1.03 -0.08 4.70 2.02 -0.75 -3.08 112.91 116.32 1wm4 h THR 96 Ca 0.05 -0.43 -0.24 0.00 0.77 0.00 0.00 66.41 66.56 1wm4 h THR 96 Cb 0.56 1.30 0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1wm4 h THR 96 CO -0.48 0.11 -0.90 -2.24 0.37 0.00 0.00 175.52 172.38 1wm4 h ASP 97 N -0.32 0.92 -0.30 4.18 2.03 -0.79 -3.01 116.42 119.13 1wm4 h ASP 97 Ca -0.01 -0.66 0.09 0.00 -0.73 0.00 0.00 57.03 55.71 1wm4 h ASP 97 Cb 0.27 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 38.48 1wm4 h ASP 97 CO 0.02 1.46 0.30 0.07 -1.03 0.00 0.00 179.24 180.06 1wm4 h LYS 98 N 0.47 0.00 0.01 4.15 5.09 0.28 0.66 116.57 127.22 1wm4 h LYS 98 Ca -0.09 0.00 -0.20 0.00 0.09 0.00 0.00 60.65 60.46 1wm4 h LYS 98 Cb 1.54 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.84 1wm4 h LYS 98 CO 0.18 0.00 -0.94 1.15 -2.09 0.00 0.00 179.45 177.75 1wm4 h THR 99 N 0.00 1.65 0.24 0.07 2.02 -1.43 -3.13 112.91 112.33 1wm4 h THR 99 Ca 0.14 -3.14 -0.01 0.00 0.77 0.00 0.00 66.41 64.17 1wm4 h THR 99 Cb 0.73 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.86 1wm4 h THR 99 CO -0.00 0.90 -0.12 -0.07 0.37 0.00 0.00 175.52 176.60 1wm4 h LEU 100 N 0.01 -0.28 -0.95 2.58 3.38 0.38 -1.60 115.31 118.83 1wm4 h LEU 100 Ca -0.02 0.01 0.27 0.00 0.09 0.00 0.00 57.88 58.24 1wm4 h LEU 100 Cb 1.65 0.07 -0.17 0.00 0.09 0.00 0.00 40.66 42.30 1wm4 h LEU 100 CO 0.12 -0.05 0.13 1.62 0.09 0.00 0.00 178.44 180.35 1wm4 h VAL 101 N -0.63 0.11 -0.59 1.22 3.04 -1.38 1.00 116.25 119.01 1wm4 h VAL 101 Ca -0.03 -0.02 -0.09 0.00 -1.01 0.00 0.00 66.70 65.54 1wm4 h VAL 101 Cb 0.25 0.04 -0.02 0.00 -2.01 0.00 0.00 31.29 29.55 1wm4 h VAL 101 CO 0.06 0.01 0.00 0.50 -1.01 0.00 0.00 177.57 177.13 1wm4 h LYS 102 N 0.06 1.03 0.12 4.17 3.64 -1.59 -3.12 116.57 120.88 1wm4 h LYS 102 Ca 0.60 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 1wm4 h LYS 102 Cb 1.28 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1wm4 h LYS 102 CO -0.83 1.01 -0.06 0.93 -2.27 0.00 0.00 179.45 178.23 1wm4 h GLU 103 N 0.94 -0.16 -1.89 1.90 5.08 0.20 -2.43 114.58 118.23 1wm4 h GLU 103 Ca 0.17 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1wm4 h GLU 103 Cb 0.54 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1wm4 h GLU 103 CO 0.03 -0.08 0.00 0.28 -1.00 0.00 0.00 179.01 178.24 1wm4 n VAL 104 N -5.15 1.65 -4.74 3.13 0.31 -0.43 -4.80 118.33 108.31 1wm4 n VAL 104 Ca -0.08 -0.39 -0.33 0.00 -0.01 0.00 0.00 64.34 63.53 1wm4 n VAL 104 Cb 0.11 -1.38 -0.13 0.00 -0.91 0.00 0.00 33.84 31.53 1wm4 n VAL 104 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1wm4 s VAL 105 N 0.22 3.32 0.00 2.52 0.11 -0.92 -4.90 120.40 120.76 1wm4 s VAL 105 Ca 0.00 -0.60 0.09 0.00 -2.93 0.00 0.00 61.98 58.53 1wm4 s VAL 105 Cb 0.00 -2.36 0.14 0.00 -1.53 0.00 0.00 36.38 32.64 1wm4 s VAL 105 CO 0.00 0.57 0.98 0.00 -3.33 0.00 0.00 175.10 173.32 1wm4 n GLN 106 N 2.70 0.00 0.00 1.54 6.02 -1.26 -4.87 117.38 121.51 1wm4 n GLN 106 Ca -0.18 -1.18 0.00 0.00 -0.01 0.00 0.00 57.00 55.63 1wm4 n GLN 106 Cb 0.53 -0.13 0.00 0.00 1.02 0.00 0.00 30.24 31.66 1wm4 n GLN 106 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1wm4 n ASN 107 N 0.17 1.15 -4.72 1.08 2.85 -1.26 -5.09 115.26 109.44 1wm4 n ASN 107 Ca -0.02 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.16 1wm4 n ASN 107 Cb 0.82 0.17 0.13 0.00 1.24 0.00 0.00 39.78 42.14 1wm4 n ASN 107 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 1wm4 s PHE 108 N -0.87 2.48 -0.02 1.20 -0.71 -1.26 -4.68 117.98 114.11 1wm4 s PHE 108 Ca 0.00 0.75 0.02 0.00 -1.04 0.00 0.00 56.93 56.66 1wm4 s PHE 108 Cb 0.00 -3.50 -0.03 0.00 -1.21 0.00 0.00 43.02 38.29 1wm4 s PHE 108 CO 0.00 -2.27 0.00 0.00 -1.34 0.00 0.00 175.22 171.61 1wm4 n ALA 109 N -3.66 1.94 -3.52 1.99 0.00 0.98 -4.91 120.51 113.33 1wm4 n ALA 109 Ca 0.08 -0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.23 1wm4 n ALA 109 Cb 0.60 0.24 -0.05 0.00 0.00 0.00 0.00 19.45 20.24 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 -2.05 0.97 0.17 0.00 2.20 -1.22 -5.04 119.74 114.77 1wm4 s LYS 110 Ca -0.02 0.10 0.05 0.00 -0.36 0.00 0.00 55.97 55.74 1wm4 s LYS 110 Cb 0.01 0.45 -0.04 0.00 -1.51 0.00 0.00 37.83 36.74 1wm4 s LYS 110 CO 0.09 -0.33 0.18 -1.21 -0.36 0.00 0.00 175.35 173.71 1wm4 s GLU 111 N -1.65 3.02 0.10 4.03 2.02 -1.26 -1.78 118.70 123.18 1wm4 s GLU 111 Ca -0.06 -0.83 0.03 0.00 0.02 0.00 0.00 54.97 54.13 1wm4 s GLU 111 Cb -0.00 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.48 1wm4 s GLU 111 CO 0.04 0.48 -0.09 -0.06 0.02 0.00 0.00 175.26 175.65 1wm4 s PHE 112 N -1.78 1.00 -0.46 1.61 0.40 0.31 -4.86 117.98 114.20 1wm4 s PHE 112 Ca 0.32 -0.72 -0.02 0.00 -0.60 0.00 0.00 56.93 55.91 1wm4 s PHE 112 Cb -0.10 -0.55 0.12 0.00 0.51 0.00 0.00 43.02 43.00 1wm4 s PHE 112 CO 0.25 -0.04 0.26 0.54 0.70 0.00 0.00 175.22 176.93 1wm4 s VAL 113 N -2.72 3.33 -0.07 -0.44 0.11 -1.26 0.13 120.40 119.47 1wm4 s VAL 113 Ca 0.07 -2.33 -0.05 0.00 -2.93 0.00 0.00 61.98 56.74 1wm4 s VAL 113 Cb -0.01 -3.26 -0.04 0.00 -1.53 0.00 0.00 36.38 31.54 1wm4 s VAL 113 CO -0.01 -0.74 0.15 -0.63 -3.33 0.00 0.00 175.10 170.54 1wm4 s ILE 114 N 0.80 5.43 0.00 7.04 -1.09 -0.90 -4.89 121.20 127.58 1wm4 s ILE 114 Ca 0.11 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.57 1wm4 s ILE 114 Cb -0.22 -3.43 0.00 0.00 -1.58 0.00 0.00 42.46 37.23 1wm4 s ILE 114 CO -0.04 0.50 0.75 -1.20 -1.23 0.00 0.00 174.94 173.72 1wm4 n SER 115 N 1.58 0.00 -4.01 3.58 7.64 -1.26 -3.41 113.62 117.73 1wm4 n SER 115 Ca -0.16 -1.53 -0.08 0.00 1.01 0.00 0.00 58.87 58.11 1wm4 n SER 115 Cb 0.54 -0.11 -0.10 0.00 -1.01 0.00 0.00 64.21 63.53 1wm4 n SER 115 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wm4 s ASP 116 N -0.53 0.33 0.21 6.43 2.15 -1.26 -4.96 116.67 119.04 1wm4 s ASP 116 Ca 0.00 -0.72 -0.02 0.00 0.43 0.00 0.00 52.55 52.24 1wm4 s ASP 116 Cb 0.00 0.17 0.18 0.00 -0.30 0.00 0.00 42.92 42.97 1wm4 s ASP 116 CO 0.00 -0.48 1.57 -0.09 -0.17 0.00 0.00 175.17 176.01 1wm4 h ARG 117 N 3.79 0.59 0.00 4.34 2.43 -1.98 -2.28 114.38 121.27 1wm4 h ARG 117 Ca -0.33 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 1wm4 h ARG 117 Cb 1.18 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1wm4 h ARG 117 CO 0.54 0.91 0.00 0.87 -1.51 0.00 0.00 179.97 180.77 1wm4 h LYS 118 N 0.49 0.00 0.00 0.20 6.56 -2.00 -2.48 116.57 119.33 1wm4 h LYS 118 Ca 0.04 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1wm4 h LYS 118 Cb 0.93 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.59 1wm4 h LYS 118 CO 0.08 0.00 -0.26 0.93 -2.06 0.00 0.00 179.45 178.15 1wm4 h GLU 119 N 0.00 0.00 -0.84 3.15 4.39 -1.83 -3.15 114.58 116.30 1wm4 h GLU 119 Ca 0.00 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.25 1wm4 h GLU 119 Cb 0.71 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 29.10 1wm4 h GLU 119 CO 0.00 0.00 0.47 -0.11 -1.16 0.00 0.00 179.01 178.21 1wm4 n LEU 120 N -2.35 6.17 0.00 1.33 0.00 -0.94 -4.60 117.00 116.61 1wm4 n LEU 120 Ca 0.04 -3.73 -0.16 0.00 0.00 0.00 0.00 56.01 52.16 1wm4 n LEU 120 Cb 0.45 -0.79 0.12 0.00 0.00 0.00 0.00 43.42 43.20 1wm4 n LEU 120 CO 0.33 1.16 0.40 -1.84 0.00 0.00 0.00 177.39 177.44 1wm4 n GLU 121 N -1.12 -1.49 0.01 1.96 0.00 -1.19 -5.00 120.64 113.80 1wm4 n GLU 121 Ca 0.54 -1.02 -0.21 0.00 0.00 0.00 0.00 57.16 56.47 1wm4 n GLU 121 Cb 1.43 -0.82 -0.14 0.00 0.00 0.00 0.00 31.44 31.92 1wm4 n GLU 121 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1wm4 h GLU 122 N 0.00 0.23 0.09 3.44 5.08 -1.93 -3.39 114.58 118.11 1wm4 h GLU 122 Ca -0.23 -0.40 -0.25 0.00 -1.00 0.00 0.00 59.36 57.48 1wm4 h GLU 122 Cb 0.66 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1wm4 h GLU 122 CO 0.15 1.19 -1.27 0.38 -1.00 0.00 0.00 179.01 178.47 1wm4 h ASP 123 N -0.40 0.31 -0.97 1.42 2.03 -1.96 -2.92 116.42 113.93 1wm4 h ASP 123 Ca -0.24 -0.83 0.21 0.00 -0.73 0.00 0.00 57.03 55.44 1wm4 h ASP 123 Cb 1.66 -0.10 -0.11 0.00 -0.83 0.00 0.00 39.33 39.94 1wm4 h ASP 123 CO 0.07 1.55 0.55 0.15 -1.03 0.00 0.00 179.24 180.53 1wm4 h PHE 124 N -0.43 0.95 0.00 4.15 3.57 -1.88 0.50 116.94 123.79 1wm4 h PHE 124 Ca -0.28 0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.12 1wm4 h PHE 124 Cb 1.65 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 40.10 1wm4 h PHE 124 CO 0.14 0.13 -0.65 0.82 -2.23 0.00 0.00 178.31 176.51 1wm4 h ILE 125 N 0.63 1.19 -0.23 1.41 1.08 -1.75 -3.14 117.51 116.70 1wm4 h ILE 125 Ca 0.58 -2.50 -0.05 0.00 -0.39 0.00 0.00 64.86 62.50 1wm4 h ILE 125 Cb 1.00 2.47 -0.01 0.00 -3.07 0.00 0.00 36.82 37.21 1wm4 h ILE 125 CO -0.43 0.64 -0.06 -0.09 -0.69 0.00 0.00 178.15 177.52 1wm4 h ARG 126 N 0.00 0.45 0.30 2.37 2.43 0.14 -2.75 114.38 117.32 1wm4 h ARG 126 Ca -0.01 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 1wm4 h ARG 126 Cb 1.41 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 1wm4 h ARG 126 CO 0.08 0.69 -0.14 1.03 -1.51 0.00 0.00 179.97 180.12 1wm4 h SER 127 N 0.18 -0.34 -1.55 -3.80 0.87 -1.21 0.56 113.55 108.27 1wm4 h SER 127 Ca 0.06 0.01 0.48 0.00 -1.23 0.00 0.00 61.79 61.11 1wm4 h SER 127 Cb 0.52 0.09 -0.10 0.00 -0.44 0.00 0.00 62.40 62.47 1wm4 h SER 127 CO 0.02 -0.22 1.06 1.05 -0.53 0.00 0.00 176.83 178.22 1wm4 h GLU 128 N -0.46 0.04 0.04 2.24 4.11 -1.65 2.54 114.58 121.45 1wm4 h GLU 128 Ca -0.04 -0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.16 1wm4 h GLU 128 Cb 0.31 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1wm4 h GLU 128 CO 0.07 0.03 -1.05 -0.07 0.07 0.00 0.00 179.01 178.06 1wm4 h LEU 129 N 0.04 0.19 -0.94 3.06 3.38 -1.22 -3.19 115.31 116.63 1wm4 h LEU 129 Ca 0.84 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 58.51 1wm4 h LEU 129 Cb 2.99 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 43.66 1wm4 h LEU 129 CO -0.23 1.11 -0.43 0.11 0.09 0.00 0.00 178.44 179.09 1wm4 h LYS 130 N 0.04 0.21 0.13 1.13 1.57 0.66 -3.25 116.57 117.07 1wm4 h LYS 130 Ca -0.06 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1wm4 h LYS 130 Cb 1.77 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.07 1wm4 h LYS 130 CO 0.15 0.60 -0.22 -0.22 -0.57 0.00 0.00 179.45 179.20 1wm4 h LYS 131 N 0.17 -0.36 0.00 3.15 3.11 -0.95 -3.44 116.57 118.24 1wm4 h LYS 131 Ca 0.01 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 1wm4 h LYS 131 Cb 0.83 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.14 1wm4 h LYS 131 CO 0.06 -0.24 0.00 0.00 -2.81 0.00 0.00 179.45 176.47 1wm4 n ALA 132 N -2.57 0.00 -2.23 5.00 0.00 -1.23 -3.96 120.51 115.52 1wm4 n ALA 132 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 1wm4 n ALA 132 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.40 -0.15 6.06 0.00 0.00 -1.26 -4.60 105.19 104.84 1wm4 n GLY 133 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1wm4 n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wm4 n GLY 134 N -1.02 0.47 2.20 -0.02 0.00 -1.25 -4.04 105.19 101.52 1wm4 n GLY 134 Ca -0.16 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1wm4 n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wm4 n ALA 135 N 5.52 0.41 -2.83 4.61 0.00 -1.26 -5.16 120.51 121.80 1wm4 n ALA 135 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wm4 n ALA 135 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1wm4 n ALA 135 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1wm4 n ASN 136 N -3.41 0.56 -2.10 0.00 6.94 -1.26 -4.93 115.26 111.07 1wm4 n ASN 136 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 54.58 54.39 1wm4 n ASN 136 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 1wm4 n ASN 136 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wm4 n TYR 137 N 0.00 -0.86 -1.74 -2.53 9.36 -1.26 -4.64 117.16 115.49 1wm4 n TYR 137 Ca 0.00 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.20 1wm4 n TYR 137 Cb 0.00 -3.25 -0.02 0.00 -0.63 0.00 0.00 39.34 35.44 1wm4 n TYR 137 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1wm4 n ASP 138 N -1.57 -0.22 -0.25 2.98 5.75 -1.26 -5.00 116.55 116.98 1wm4 n ASP 138 Ca -0.19 -0.92 -0.12 0.00 -0.01 0.00 0.00 54.79 53.55 1wm4 n ASP 138 Cb 0.62 0.07 -0.10 0.00 -1.03 0.00 0.00 41.12 40.68 1wm4 n ASP 138 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wm4 h ALA 139 N 0.00 -0.67 -2.20 2.12 0.00 -1.95 -3.37 119.26 113.20 1wm4 h ALA 139 Ca -0.13 0.05 -0.42 0.00 0.00 0.00 0.00 54.91 54.41 1wm4 h ALA 139 Cb 0.83 1.22 -0.34 0.00 0.00 0.00 0.00 17.79 19.50 1wm4 h ALA 139 CO -0.07 -0.98 -0.72 -0.65 0.00 0.00 0.00 179.25 176.83 1wm4 s GLN 140 N -5.47 0.50 0.00 0.00 -0.21 -1.26 -4.93 119.66 108.29 1wm4 s GLN 140 Ca -0.13 -0.76 0.00 0.00 0.02 0.00 0.00 55.36 54.50 1wm4 s GLN 140 Cb 0.09 -0.87 0.00 0.00 1.00 0.00 0.00 33.01 33.24 1wm4 s GLN 140 CO 0.59 -1.14 0.06 0.45 -2.12 0.00 0.00 175.29 173.13 1wm4 n SER 141 N 4.55 0.00 -0.54 5.90 2.88 -1.26 -5.23 113.62 119.92 1wm4 n SER 141 Ca 0.07 -1.00 0.14 0.00 -1.33 0.00 0.00 58.87 56.74 1wm4 n SER 141 Cb 0.43 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 64.37 1wm4 n SER 141 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19