#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wm4 s ALA 2 N 0.00 3.03 0.28 3.04 0.00 -1.26 -4.85 121.76 122.00 1wm4 s ALA 2 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1wm4 s ALA 2 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1wm4 s ALA 2 CO 0.00 -0.49 0.00 2.41 0.00 0.00 0.00 175.76 177.68 1wm4 n THR 3 N -2.07 -2.34 -4.20 0.00 -1.04 -1.26 -5.00 114.28 98.36 1wm4 n THR 3 Ca 0.07 0.98 -0.21 0.00 -2.04 0.00 0.00 64.05 62.85 1wm4 n THR 3 Cb 0.54 -1.45 -0.16 0.00 -1.82 0.00 0.00 70.33 67.43 1wm4 n THR 3 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1wm4 s LYS 4 N -4.77 0.94 -0.12 -2.82 -0.14 -1.23 -5.03 119.74 106.57 1wm4 s LYS 4 Ca 0.00 -0.14 -0.03 0.00 -1.36 0.00 0.00 55.97 54.44 1wm4 s LYS 4 Cb 0.00 -0.92 -0.03 0.00 -1.68 0.00 0.00 37.83 35.20 1wm4 s LYS 4 CO 0.00 -0.07 -0.01 -1.50 -0.76 0.00 0.00 175.35 173.01 1wm4 s ILE 5 N 0.91 4.18 -0.75 2.17 1.10 -1.26 -1.00 121.20 126.55 1wm4 s ILE 5 Ca -0.11 -0.28 -0.02 0.00 -0.51 0.00 0.00 60.65 59.73 1wm4 s ILE 5 Cb -0.14 -2.80 0.30 0.00 0.15 0.00 0.00 42.46 39.97 1wm4 s ILE 5 CO 0.00 0.55 2.17 0.47 -2.11 0.00 0.00 174.94 176.02 1wm4 n ASP 6 N 2.80 7.34 -0.12 4.50 8.00 -1.21 -4.73 116.55 133.13 1wm4 n ASP 6 Ca -0.18 -3.71 0.23 0.00 0.71 0.00 0.00 54.79 51.85 1wm4 n ASP 6 Cb 0.53 -1.09 0.37 0.00 -0.02 0.00 0.00 41.12 40.91 1wm4 n ASP 6 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1wm4 h LYS 7 N 2.90 0.00 -1.02 -1.24 1.79 -1.94 0.43 116.57 117.48 1wm4 h LYS 7 Ca 0.54 0.00 0.27 0.00 -2.18 0.00 0.00 60.65 59.28 1wm4 h LYS 7 Cb 0.22 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 30.75 1wm4 h LYS 7 CO 1.34 0.00 0.61 0.93 -1.08 0.00 0.00 179.45 181.25 1wm4 h GLU 8 N 0.00 0.46 0.19 3.15 3.07 -1.98 0.23 114.58 119.70 1wm4 h GLU 8 Ca 0.40 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.23 1wm4 h GLU 8 Cb 2.73 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 30.54 1wm4 h GLU 8 CO -0.00 0.31 -0.09 0.00 -1.40 0.00 0.00 179.01 177.82 1wm4 h ALA 9 N 1.74 -0.25 0.01 3.43 0.00 -0.55 -2.33 119.26 121.31 1wm4 h ALA 9 Ca 0.67 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1wm4 h ALA 9 Cb 1.42 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 1wm4 h ALA 9 CO -0.48 -0.26 -0.03 0.00 0.00 0.00 0.00 179.25 178.48 1wm4 h ARG 11 N -0.05 -0.22 -0.19 0.00 2.43 -0.76 1.93 114.38 117.53 1wm4 h ARG 11 Ca -0.00 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1wm4 h ARG 11 Cb 0.04 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.58 1wm4 h ARG 11 CO -0.01 -0.14 -0.21 0.00 -1.51 0.00 0.00 179.97 178.09 1wm4 h ALA 12 N 0.50 -0.12 0.00 2.80 0.00 -1.14 0.44 119.26 121.74 1wm4 h ALA 12 Ca 0.16 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1wm4 h ALA 12 Cb 0.55 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1wm4 h ALA 12 CO -0.72 -0.65 0.00 0.00 0.00 0.00 0.00 179.25 177.88 1wm4 h ALA 13 N 0.80 1.00 0.20 0.00 0.00 0.45 0.11 119.26 121.83 1wm4 h ALA 13 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1wm4 h ALA 13 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1wm4 h ALA 13 CO -0.33 0.00 -0.10 -0.92 0.00 0.00 0.00 179.25 177.90 1wm4 h TYR 14 N 0.00 -0.25 0.00 0.00 5.03 0.75 -3.14 116.97 119.36 1wm4 h TYR 14 Ca 0.00 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.30 1wm4 h TYR 14 Cb 0.23 0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.59 1wm4 h TYR 14 CO 0.00 0.10 0.00 -0.91 -1.32 0.00 0.00 178.16 176.03 1wm4 h ASN 15 N -0.96 0.00 -0.50 -2.11 -0.26 -1.05 -3.20 115.58 107.51 1wm4 h ASN 15 Ca -0.03 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.60 1wm4 h ASN 15 Cb 0.46 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.70 1wm4 h ASN 15 CO 0.05 0.00 -0.11 0.25 -1.06 0.00 0.00 177.43 176.56 1wm4 h LEU 16 N 0.00 0.98 0.00 1.61 5.85 -0.84 -1.73 115.31 121.18 1wm4 h LEU 16 Ca 0.00 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1wm4 h LEU 16 Cb 0.79 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1wm4 h LEU 16 CO 0.00 1.09 0.00 1.33 -0.34 0.00 0.00 178.44 180.52 1wm4 n VAL 17 N -4.15 0.41 0.96 1.05 0.24 -1.19 -2.81 118.33 112.85 1wm4 n VAL 17 Ca 0.02 0.10 0.03 0.00 -2.04 0.00 0.00 64.34 62.45 1wm4 n VAL 17 Cb 0.40 -0.83 0.20 0.00 -1.47 0.00 0.00 33.84 32.14 1wm4 n VAL 17 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1wm4 n ARG 18 N -1.23 0.48 0.00 7.34 0.63 -0.65 -4.55 116.66 118.68 1wm4 n ARG 18 Ca 0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 1wm4 n ARG 18 Cb 0.12 -1.22 0.00 0.00 0.45 0.00 0.00 32.46 31.81 1wm4 n ARG 18 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1wm4 n ASP 19 N -0.72 0.00 -2.47 6.15 2.03 -1.12 -4.96 116.55 115.45 1wm4 n ASP 19 Ca 0.05 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 55.02 1wm4 n ASP 19 Cb 0.02 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.47 1wm4 n ASP 19 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1wm4 n ASP 20 N 0.00 6.80 -2.33 1.67 8.00 -1.26 -4.85 116.55 124.59 1wm4 n ASP 20 Ca 0.00 -3.79 -0.08 0.00 0.71 0.00 0.00 54.79 51.63 1wm4 n ASP 20 Cb 0.00 -0.83 0.04 0.00 -0.02 0.00 0.00 41.12 40.31 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 -0.71 -0.07 0.42 0.44 0.00 -1.26 -4.95 105.19 99.05 1wm4 n GLY 21 Ca 0.54 0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.61 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 -2.25 2.45 0.00 1.61 7.64 -1.26 -5.00 113.62 116.81 1wm4 n SER 22 Ca -0.09 -1.87 0.00 0.00 1.01 0.00 0.00 58.87 57.92 1wm4 n SER 22 Cb 0.57 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 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 0.24 0.00 -3.01 -0.43 0.00 -1.26 -5.11 120.51 110.94 1wm4 n ALA 23 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.14 1wm4 n ALA 23 Cb 0.34 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.66 1wm4 n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wm4 s VAL 24 N 3.88 4.39 0.33 0.00 0.11 -1.26 -4.85 120.40 122.99 1wm4 s VAL 24 Ca 0.00 -0.22 0.10 0.00 -2.93 0.00 0.00 61.98 58.94 1wm4 s VAL 24 Cb 0.00 -3.09 0.32 0.00 -1.53 0.00 0.00 36.38 32.07 1wm4 s VAL 24 CO 0.00 0.28 1.73 -0.29 -3.33 0.00 0.00 175.10 173.49 1wm4 h ILE 25 N 5.57 0.52 -2.43 7.04 2.10 -0.99 -3.43 117.51 125.89 1wm4 h ILE 25 Ca -0.37 -0.19 -0.08 0.00 1.08 0.00 0.00 64.86 65.30 1wm4 h ILE 25 Cb 1.17 -0.08 -0.19 0.00 -1.09 0.00 0.00 36.82 36.63 1wm4 h ILE 25 CO 0.58 0.10 0.02 -1.66 -1.08 0.00 0.00 178.15 176.12 1wm4 s TRP 26 N -5.75 -0.48 0.15 2.19 1.48 -1.23 -3.98 118.94 111.32 1wm4 s TRP 26 Ca -0.11 0.77 0.09 0.00 -1.06 0.00 0.00 56.10 55.79 1wm4 s TRP 26 Cb 0.27 0.30 -0.04 0.00 -1.16 0.00 0.00 33.47 32.84 1wm4 s TRP 26 CO 0.80 -0.55 -0.15 0.14 -4.06 0.00 0.00 176.95 173.13 1wm4 s VAL 27 N -1.41 2.91 -0.03 -0.66 -7.23 -1.25 -2.50 120.40 110.23 1wm4 s VAL 27 Ca -0.11 -1.64 0.03 0.00 -1.81 0.00 0.00 61.98 58.45 1wm4 s VAL 27 Cb -0.02 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.53 1wm4 s VAL 27 CO 0.07 -0.02 -0.12 0.42 -0.31 0.00 0.00 175.10 175.14 1wm4 s THR 28 N -1.45 1.04 -0.16 5.32 -4.23 -0.82 -3.67 115.64 111.67 1wm4 s THR 28 Ca 0.21 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 1wm4 s THR 28 Cb -0.09 -0.91 0.03 0.00 1.34 0.00 0.00 72.50 72.86 1wm4 s THR 28 CO 0.12 0.31 -0.14 0.72 -0.54 0.00 0.00 174.62 175.09 1wm4 s PHE 29 N 0.14 2.25 0.02 3.99 -0.71 -1.26 0.30 117.98 122.71 1wm4 s PHE 29 Ca -0.03 -1.31 -0.01 0.00 -1.04 0.00 0.00 56.93 54.53 1wm4 s PHE 29 Cb -0.10 -1.63 -0.04 0.00 -1.21 0.00 0.00 43.02 40.05 1wm4 s PHE 29 CO 0.01 -0.69 0.19 -0.98 -1.34 0.00 0.00 175.22 172.41 1wm4 s ARG 30 N 1.46 3.41 -0.77 1.99 1.70 -0.99 -4.41 118.95 121.34 1wm4 s ARG 30 Ca 0.04 -0.39 -0.27 0.00 -0.47 0.00 0.00 55.73 54.64 1wm4 s ARG 30 Cb -0.13 -3.05 -0.16 0.00 -0.57 0.00 0.00 34.95 31.03 1wm4 s ARG 30 CO -0.10 0.64 2.54 0.66 -1.08 0.00 0.00 175.30 177.96 1wm4 n TYR 31 N 0.67 0.93 -3.17 5.89 4.01 -1.26 -3.68 117.16 120.56 1wm4 n TYR 31 Ca -0.08 0.23 -0.45 0.00 -0.16 0.00 0.00 57.90 57.44 1wm4 n TYR 31 Cb 0.52 -2.40 -0.05 0.00 -0.31 0.00 0.00 39.34 37.10 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 10.01 6.19 1.85 7.72 1.11 -0.75 -4.91 116.67 137.89 1wm4 s ASP 32 Ca 1.17 -1.36 0.00 0.00 0.18 0.00 0.00 52.55 52.54 1wm4 s ASP 32 Cb -0.72 -2.28 0.00 0.00 1.07 0.00 0.00 42.92 40.99 1wm4 s ASP 32 CO 0.38 -1.00 0.00 0.61 1.18 0.00 0.00 175.17 176.33 1wm4 n GLY 33 N 5.25 3.98 1.24 0.21 0.00 -1.26 -1.61 105.19 113.00 1wm4 n GLY 33 Ca -0.10 0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 12.31 3.56 -3.57 4.61 0.00 -1.26 -4.94 120.51 131.23 1wm4 n ALA 34 Ca 0.00 -2.40 -0.14 0.00 0.00 0.00 0.00 53.44 50.91 1wm4 n ALA 34 Cb 0.00 -0.86 -0.14 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 -0.04 -0.34 0.00 2.01 -0.63 -3.48 115.64 110.24 1wm4 s THR 35 Ca 0.46 0.15 -0.29 0.00 0.31 0.00 0.00 61.69 62.32 1wm4 s THR 35 Cb 0.38 -0.19 0.02 0.00 0.01 0.00 0.00 72.50 72.71 1wm4 s THR 35 CO 0.09 0.06 1.14 -0.63 -0.69 0.00 0.00 174.62 174.59 1wm4 s ILE 36 N 0.90 4.38 0.06 1.82 1.09 -0.17 -1.81 121.20 127.45 1wm4 s ILE 36 Ca -0.07 1.55 0.02 0.00 -1.10 0.00 0.00 60.65 61.06 1wm4 s ILE 36 Cb -0.09 -4.40 -0.03 0.00 -1.06 0.00 0.00 42.46 36.88 1wm4 s ILE 36 CO -0.04 -0.57 -0.08 0.68 -0.10 0.00 0.00 174.94 174.82 1wm4 s VAL 37 N 3.95 0.61 0.36 2.92 -7.23 -1.24 -3.33 120.40 116.44 1wm4 s VAL 37 Ca 0.48 -1.26 -0.13 0.00 -1.81 0.00 0.00 61.98 59.26 1wm4 s VAL 37 Cb -0.12 -0.84 -0.11 0.00 0.56 0.00 0.00 36.38 35.87 1wm4 s VAL 37 CO 0.20 -0.46 -0.08 -2.65 -0.31 0.00 0.00 175.10 171.79 1wm4 n PRO 38 N 1.16 0.00 0.00 4.82 -0.02 -1.26 -2.33 135.00 137.37 1wm4 n PRO 38 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 1wm4 n PRO 38 Cb 0.56 -0.73 0.00 0.00 -0.02 0.00 0.00 33.50 33.31 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 1.82 0.00 2.98 -1.23 0.00 0.86 -4.42 105.19 105.20 1wm4 n GLY 39 Ca 0.06 0.00 -0.16 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 -2.07 -0.86 -0.70 1.61 8.00 -0.90 -4.98 116.55 116.65 1wm4 n ASP 40 Ca 0.00 -2.91 0.00 0.00 0.71 0.00 0.00 54.79 52.59 1wm4 n ASP 40 Cb 0.09 1.81 0.00 0.00 -0.02 0.00 0.00 41.12 43.00 1wm4 n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wm4 n GLN 41 N -0.56 0.00 -3.64 -1.24 0.00 -1.26 -1.94 117.38 108.74 1wm4 n GLN 41 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 57.00 56.98 1wm4 n GLN 41 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.72 1wm4 n GLN 41 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1wm4 s GLY 42 N -0.70 -0.19 0.00 2.61 0.00 -1.04 -4.85 107.32 103.15 1wm4 s GLY 42 Ca 0.00 2.79 0.15 0.00 0.00 0.00 0.00 44.72 47.66 1wm4 s GLY 42 CO 0.00 2.22 0.80 0.00 0.00 0.00 0.00 173.10 176.12 1wm4 n ALA 43 N 3.16 3.28 -3.68 3.20 0.00 -1.26 -0.41 120.51 124.80 1wm4 n ALA 43 Ca -0.16 -0.51 -0.09 0.00 0.00 0.00 0.00 53.44 52.68 1wm4 n ALA 43 Cb 0.57 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1wm4 n ALA 43 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1wm4 s ASP 44 N -1.94 0.03 0.02 0.00 1.47 -1.26 -4.61 116.67 110.38 1wm4 s ASP 44 Ca 0.12 -1.04 -0.20 0.00 1.18 0.00 0.00 52.55 52.61 1wm4 s ASP 44 Cb 0.12 0.79 -0.20 0.00 -0.34 0.00 0.00 42.92 43.29 1wm4 s ASP 44 CO 0.43 -1.53 1.19 0.22 0.68 0.00 0.00 175.17 176.15 1wm4 h TYR 45 N 2.03 0.57 -1.16 2.11 3.20 -2.00 -3.20 116.97 118.51 1wm4 h TYR 45 Ca -0.28 -0.26 0.40 0.00 3.14 0.00 0.00 58.73 61.73 1wm4 h TYR 45 Cb 1.25 -0.08 -0.15 0.00 1.54 0.00 0.00 36.73 39.29 1wm4 h TYR 45 CO 1.10 1.03 0.71 1.96 -1.64 0.00 0.00 178.16 181.31 1wm4 h GLN 46 N -0.05 0.12 -0.60 1.82 1.08 -2.02 0.71 115.11 116.18 1wm4 h GLN 46 Ca -0.03 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1wm4 h GLN 46 Cb 1.09 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.47 1wm4 h GLN 46 CO 0.09 0.08 0.36 1.25 -0.95 0.00 0.00 178.83 179.65 1wm4 h HIS 47 N 0.12 0.80 -1.03 2.96 2.76 -1.95 -1.33 115.15 117.48 1wm4 h HIS 47 Ca 0.80 -0.00 0.27 0.00 -2.20 0.00 0.00 60.37 59.24 1wm4 h HIS 47 Cb 2.27 -0.26 -0.07 0.00 1.55 0.00 0.00 27.41 30.90 1wm4 h HIS 47 CO -0.01 0.55 0.70 0.27 -1.30 0.00 0.00 177.93 178.14 1wm4 h PHE 48 N 0.81 0.41 -0.44 5.26 -5.15 0.31 0.45 116.94 118.60 1wm4 h PHE 48 Ca 0.21 0.01 -0.04 0.00 -0.20 0.00 0.00 57.97 57.96 1wm4 h PHE 48 Cb -0.01 -0.12 -0.02 0.00 0.22 0.00 0.00 35.95 36.02 1wm4 h PHE 48 CO -0.02 0.05 0.12 0.82 -2.00 0.00 0.00 178.31 177.28 1wm4 h ILE 49 N 0.26 1.23 0.00 0.88 2.04 -1.21 0.63 117.51 121.33 1wm4 h ILE 49 Ca 0.55 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1wm4 h ILE 49 Cb 1.65 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1wm4 h ILE 49 CO -0.18 0.28 -0.39 1.67 0.00 0.00 0.00 178.15 179.53 1wm4 n GLN 50 N -4.54 0.21 0.00 2.37 0.00 0.14 -3.37 117.38 112.20 1wm4 n GLN 50 Ca 0.00 0.10 0.11 0.00 -0.00 0.00 0.00 57.00 57.21 1wm4 n GLN 50 Cb 0.20 -1.67 0.09 0.00 0.00 0.00 0.00 30.24 28.86 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 -1.99 0.72 -2.70 3.69 1.13 0.14 -4.42 117.38 113.95 1wm4 n GLN 51 Ca 0.05 -0.55 -0.25 0.00 -1.94 0.00 0.00 57.00 54.31 1wm4 n GLN 51 Cb 0.41 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.26 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 -4.73 3.98 -1.74 0.00 -4.23 -1.26 -4.79 115.64 102.87 1wm4 s THR 53 Ca 0.46 0.91 0.00 0.00 -1.18 0.00 0.00 61.69 61.88 1wm4 s THR 53 Cb 0.36 -3.46 0.00 0.00 1.34 0.00 0.00 72.50 70.75 1wm4 s THR 53 CO -0.14 -0.58 0.51 -0.90 -0.54 0.00 0.00 174.62 172.97 1wm4 n ASP 54 N -2.03 0.15 -0.83 3.99 5.68 -1.26 -2.60 116.55 119.65 1wm4 n ASP 54 Ca 0.08 -1.18 0.12 0.00 -0.50 0.00 0.00 54.79 53.32 1wm4 n ASP 54 Cb 0.53 -0.08 0.19 0.00 -1.14 0.00 0.00 41.12 40.63 1wm4 n ASP 54 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1wm4 n ASP 55 N -0.32 2.62 -3.47 -1.12 2.03 -1.26 -0.15 116.55 114.88 1wm4 n ASP 55 Ca 0.00 -1.86 -0.13 0.00 0.52 0.00 0.00 54.79 53.31 1wm4 n ASP 55 Cb 0.04 0.02 -0.05 0.00 -0.72 0.00 0.00 41.12 40.41 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 -2.02 0.00 -0.01 5.18 0.11 -1.07 -3.69 120.40 118.90 1wm4 s VAL 56 Ca 0.30 -1.58 0.00 0.00 -2.93 0.00 0.00 61.98 57.77 1wm4 s VAL 56 Cb 0.20 -2.54 0.01 0.00 -1.53 0.00 0.00 36.38 32.52 1wm4 s VAL 56 CO 0.32 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.09 1wm4 s ARG 57 N -3.32 0.12 0.13 1.54 1.70 -1.26 -0.98 118.95 116.87 1wm4 s ARG 57 Ca 0.29 0.05 -0.25 0.00 -0.47 0.00 0.00 55.73 55.35 1wm4 s ARG 57 Cb 0.00 -0.24 0.08 0.00 -0.57 0.00 0.00 34.95 34.22 1wm4 s ARG 57 CO 0.17 -0.07 1.04 -0.48 -1.08 0.00 0.00 175.30 174.88 1wm4 s LEU 58 N 0.53 -0.11 0.13 -1.89 0.05 -0.04 -4.80 118.68 112.55 1wm4 s LEU 58 Ca -0.05 -0.43 0.04 0.00 0.05 0.00 0.00 54.13 53.74 1wm4 s LEU 58 Cb -0.07 2.00 -0.04 0.00 -2.05 0.00 0.00 46.19 46.03 1wm4 s LEU 58 CO -0.01 -0.82 0.11 -0.36 -0.55 0.00 0.00 176.35 174.72 1wm4 s PHE 59 N -2.85 3.18 0.11 3.48 0.08 -1.26 0.20 117.98 120.91 1wm4 s PHE 59 Ca 0.15 0.03 0.05 0.00 0.12 0.00 0.00 56.93 57.28 1wm4 s PHE 59 Cb -0.01 -1.56 -0.04 0.00 -0.57 0.00 0.00 43.02 40.84 1wm4 s PHE 59 CO 0.02 0.52 -0.14 0.00 -0.10 0.00 0.00 175.22 175.53 1wm4 s ALA 60 N -1.59 1.37 -0.21 5.36 0.00 0.57 -4.18 121.76 123.09 1wm4 s ALA 60 Ca 0.30 -1.21 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 1wm4 s ALA 60 Cb -0.11 -0.07 0.07 0.00 0.00 0.00 0.00 23.12 23.01 1wm4 s ALA 60 CO 0.23 0.10 0.07 -0.06 0.00 0.00 0.00 175.76 176.10 1wm4 s PHE 61 N -1.96 0.73 0.01 0.00 0.08 -1.24 -1.38 117.98 114.22 1wm4 s PHE 61 Ca 0.06 -0.77 0.03 0.00 0.12 0.00 0.00 56.93 56.37 1wm4 s PHE 61 Cb -0.06 -0.97 -0.01 0.00 -0.57 0.00 0.00 43.02 41.41 1wm4 s PHE 61 CO 0.02 -0.63 -0.10 0.54 -0.10 0.00 0.00 175.22 174.95 1wm4 s VAL 62 N 1.96 0.75 -0.33 -0.44 0.11 -1.26 -3.74 120.40 117.45 1wm4 s VAL 62 Ca 0.02 -0.65 -0.26 0.00 -2.93 0.00 0.00 61.98 58.15 1wm4 s VAL 62 Cb -0.17 -0.68 0.01 0.00 -1.53 0.00 0.00 36.38 34.01 1wm4 s VAL 62 CO -0.14 0.04 0.95 -0.60 -3.33 0.00 0.00 175.10 172.02 1wm4 s ARG 63 N -0.69 3.96 0.28 1.54 3.52 -1.26 -4.10 118.95 122.21 1wm4 s ARG 63 Ca 0.00 0.78 -0.03 0.00 -0.13 0.00 0.00 55.73 56.35 1wm4 s ARG 63 Cb -0.06 -3.76 -0.05 0.00 -1.56 0.00 0.00 34.95 29.53 1wm4 s ARG 63 CO 0.00 -0.86 0.51 -0.06 -0.81 0.00 0.00 175.30 174.09 1wm4 s PHE 64 N 3.41 3.48 0.44 5.12 0.08 -0.44 -4.86 117.98 125.21 1wm4 s PHE 64 Ca 0.39 0.51 -0.21 0.00 0.12 0.00 0.00 56.93 57.74 1wm4 s PHE 64 Cb -0.13 -2.00 -0.10 0.00 -0.57 0.00 0.00 43.02 40.22 1wm4 s PHE 64 CO 0.16 0.21 0.99 0.99 -0.10 0.00 0.00 175.22 177.47 1wm4 s THR 65 N -2.08 4.08 -1.23 0.64 2.01 -1.26 0.17 115.64 117.96 1wm4 s THR 65 Ca 0.42 1.35 0.12 0.00 0.31 0.00 0.00 61.69 63.89 1wm4 s THR 65 Cb -0.11 -3.58 0.25 0.00 0.01 0.00 0.00 72.50 69.08 1wm4 s THR 65 CO 0.31 -0.22 1.14 1.07 -0.69 0.00 0.00 174.62 176.23 1wm4 n THR 66 N -0.61 0.63 0.00 -0.82 5.66 -1.26 -4.53 114.28 113.35 1wm4 n THR 66 Ca 0.07 -0.82 0.00 0.00 -3.05 0.00 0.00 64.05 60.26 1wm4 n THR 66 Cb 0.53 0.78 0.00 0.00 -1.55 0.00 0.00 70.33 70.08 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 0.66 4.10 2.79 1.09 0.00 -1.26 -5.00 105.19 107.56 1wm4 n GLY 67 Ca 0.11 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1wm4 n GLY 67 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wm4 n ASP 68 N 0.00 3.88 0.00 1.61 5.75 -1.26 -4.11 116.55 122.43 1wm4 n ASP 68 Ca 0.00 -2.84 0.00 0.00 -0.01 0.00 0.00 54.79 51.94 1wm4 n ASP 68 Cb 0.00 -1.65 0.00 0.00 -1.03 0.00 0.00 41.12 38.44 1wm4 n ASP 68 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wm4 n ALA 69 N 6.28 0.38 -0.01 2.12 0.00 -1.26 -4.99 120.51 123.04 1wm4 n ALA 69 Ca 0.52 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.79 1wm4 n ALA 69 Cb 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.74 1wm4 n ALA 69 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1wm4 h MET 70 N 0.00 0.43 0.00 0.00 2.86 -1.99 -3.45 114.93 112.78 1wm4 h MET 70 Ca 0.00 -0.43 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1wm4 h MET 70 Cb 0.00 0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1wm4 h MET 70 CO 0.00 1.08 0.00 0.43 1.06 0.00 0.00 176.91 179.48 1wm4 n SER 71 N -4.23 -1.74 -0.28 1.22 7.64 -1.26 -4.68 113.62 110.29 1wm4 n SER 71 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1wm4 n SER 71 Cb 0.65 -2.19 0.00 0.00 -1.01 0.00 0.00 64.21 61.65 1wm4 n SER 71 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wm4 n LYS 72 N -0.46 0.65 0.11 1.43 5.02 -1.26 -3.90 118.16 119.75 1wm4 n LYS 72 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1wm4 n LYS 72 Cb 0.14 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 1wm4 n LYS 72 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1wm4 n ARG 73 N -0.12 0.00 -0.27 1.97 0.63 -1.26 -5.16 116.66 112.45 1wm4 n ARG 73 Ca 0.00 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.96 1wm4 n ARG 73 Cb 0.09 -0.05 -0.02 0.00 0.45 0.00 0.00 32.46 32.94 1wm4 n ARG 73 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1wm4 n SER 74 N -3.27 -1.50 -4.79 6.15 2.88 -1.25 -4.95 113.62 106.89 1wm4 n SER 74 Ca 0.00 0.25 -0.30 0.00 -1.33 0.00 0.00 58.87 57.49 1wm4 n SER 74 Cb 0.00 -0.92 -0.06 0.00 -0.75 0.00 0.00 64.21 62.48 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 -3.00 2.93 -0.11 -1.46 1.02 0.44 -4.75 119.74 114.81 1wm4 s LYS 75 Ca 0.00 -0.69 -0.01 0.00 0.02 0.00 0.00 55.97 55.29 1wm4 s LYS 75 Cb 0.00 -2.75 0.03 0.00 -0.52 0.00 0.00 37.83 34.60 1wm4 s LYS 75 CO 0.00 0.56 -0.02 -0.06 -0.92 0.00 0.00 175.35 174.92 1wm4 s PHE 76 N -1.44 1.02 0.14 3.18 0.08 -1.26 -1.33 117.98 118.38 1wm4 s PHE 76 Ca 0.30 -0.51 -0.05 0.00 0.12 0.00 0.00 56.93 56.79 1wm4 s PHE 76 Cb -0.12 -0.99 -0.02 0.00 -0.57 0.00 0.00 43.02 41.32 1wm4 s PHE 76 CO 0.23 -0.45 0.17 0.00 -0.10 0.00 0.00 175.22 175.06 1wm4 s ALA 77 N 1.86 0.43 0.02 5.36 0.00 -1.26 0.34 121.76 128.52 1wm4 s ALA 77 Ca 0.04 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 50.85 1wm4 s ALA 77 Cb -0.13 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 1wm4 s ALA 77 CO -0.07 -0.56 -0.02 -1.17 0.00 0.00 0.00 175.76 173.94 1wm4 s LEU 78 N -3.01 3.41 0.00 0.00 2.96 -0.89 -4.02 118.68 117.14 1wm4 s LEU 78 Ca 0.20 -0.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.07 1wm4 s LEU 78 Cb 0.05 -2.00 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 1wm4 s LEU 78 CO 0.01 0.26 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.55 1wm4 s ILE 79 N -1.11 0.91 -0.18 6.68 1.01 -0.48 0.86 121.20 128.90 1wm4 s ILE 79 Ca 0.20 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 60.23 1wm4 s ILE 79 Cb -0.11 -0.78 -0.01 0.00 0.01 0.00 0.00 42.46 41.56 1wm4 s ILE 79 CO 0.11 0.18 -0.08 -0.89 0.00 0.00 0.00 174.94 174.26 1wm4 s THR 80 N -0.41 3.28 -0.37 2.92 2.01 -0.41 -0.31 115.64 122.34 1wm4 s THR 80 Ca 0.03 -0.55 -0.16 0.00 0.31 0.00 0.00 61.69 61.32 1wm4 s THR 80 Cb -0.05 -2.44 0.00 0.00 0.01 0.00 0.00 72.50 70.02 1wm4 s THR 80 CO -0.00 0.47 0.40 0.86 -0.69 0.00 0.00 174.62 175.66 1wm4 s TRP 81 N 0.92 3.19 -0.58 4.92 -0.11 0.52 -1.68 118.94 126.13 1wm4 s TRP 81 Ca -0.01 -0.14 -0.04 0.00 1.22 0.00 0.00 56.10 57.12 1wm4 s TRP 81 Cb -0.15 -2.76 0.15 0.00 -1.50 0.00 0.00 33.47 29.21 1wm4 s TRP 81 CO 0.00 -0.54 0.41 0.42 -4.62 0.00 0.00 176.95 172.62 1wm4 s ILE 82 N 2.08 3.81 0.76 5.86 -1.09 -1.20 -0.86 121.20 130.56 1wm4 s ILE 82 Ca 0.12 -2.64 -0.11 0.00 -2.23 0.00 0.00 60.65 55.79 1wm4 s ILE 82 Cb -0.17 -3.50 0.05 0.00 -1.58 0.00 0.00 42.46 37.27 1wm4 s ILE 82 CO 0.12 -0.84 1.08 -0.83 -1.23 0.00 0.00 174.94 173.24 1wm4 s GLY 83 N 1.20 1.64 -0.83 6.18 0.00 -0.16 -4.67 107.32 110.69 1wm4 s GLY 83 Ca 0.14 -0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.81 1wm4 s GLY 83 CO -0.04 0.31 1.18 1.18 0.00 0.00 0.00 173.10 175.74 1wm4 n GLU 84 N -3.34 3.73 0.00 2.90 1.02 0.79 -4.59 120.64 121.15 1wm4 n GLU 84 Ca 0.07 -4.67 0.00 0.00 -0.02 0.00 0.00 57.16 52.54 1wm4 n GLU 84 Cb 0.55 -2.37 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 1wm4 n GLU 84 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1wm4 n ASP 85 N 0.69 0.00 -4.11 1.62 -0.08 -1.22 -4.86 116.55 108.59 1wm4 n ASP 85 Ca 0.31 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 53.23 1wm4 n ASP 85 Cb 0.36 0.16 0.04 0.00 2.34 0.00 0.00 41.12 44.02 1wm4 n ASP 85 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1wm4 n VAL 86 N -1.79 0.10 -0.45 5.18 3.14 -1.24 -4.88 118.33 118.39 1wm4 n VAL 86 Ca 0.00 -0.47 -0.29 0.00 -2.96 0.00 0.00 64.34 60.62 1wm4 n VAL 86 Cb 0.00 -0.09 0.27 0.00 -1.06 0.00 0.00 33.84 32.96 1wm4 n VAL 86 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1wm4 s SER 87 N -1.11 -0.02 0.29 6.55 1.04 -1.26 -4.92 113.70 114.27 1wm4 s SER 87 Ca 0.46 1.22 0.21 0.00 0.48 0.00 0.00 55.95 58.33 1wm4 s SER 87 Cb -0.26 -1.85 0.13 0.00 0.10 0.00 0.00 66.02 64.14 1wm4 s SER 87 CO 0.77 -4.78 1.31 1.23 0.98 0.00 0.00 173.24 172.75 1wm4 h GLY 88 N -3.02 0.00 -0.01 7.32 0.00 -2.01 -3.39 103.07 101.96 1wm4 h GLY 88 Ca -0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1wm4 h GLY 88 CO 0.41 0.00 -0.01 -2.00 0.00 0.00 0.00 176.54 174.94 1wm4 h LEU 89 N 0.00 -0.04 -1.55 3.11 5.85 -2.02 0.45 115.31 121.11 1wm4 h LEU 89 Ca -0.02 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.80 1wm4 h LEU 89 Cb 1.13 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1wm4 h LEU 89 CO 0.02 -0.01 0.61 1.56 -0.34 0.00 0.00 178.44 180.28 1wm4 h GLN 90 N -0.01 0.00 -0.68 1.25 1.08 -1.97 0.83 115.11 115.61 1wm4 h GLN 90 Ca 0.00 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.27 1wm4 h GLN 90 Cb 0.01 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.38 1wm4 h GLN 90 CO -0.01 0.00 0.36 -0.09 -0.95 0.00 0.00 178.83 178.13 1wm4 h ARG 91 N 0.00 0.62 -0.04 1.46 2.43 -0.27 1.64 114.38 120.21 1wm4 h ARG 91 Ca 0.15 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 59.07 1wm4 h ARG 91 Cb 1.37 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1wm4 h ARG 91 CO -0.00 0.41 -0.85 0.00 -1.51 0.00 0.00 179.97 178.02 1wm4 h ALA 92 N 1.38 0.45 -0.01 2.80 0.00 -0.77 -3.13 119.26 119.99 1wm4 h ALA 92 Ca 0.32 -0.66 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1wm4 h ALA 92 Cb 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1wm4 h ALA 92 CO -0.22 0.79 -0.14 0.87 0.00 0.00 0.00 179.25 180.55 1wm4 h LYS 93 N 0.26 0.12 -0.49 0.00 1.79 -1.27 -3.19 116.57 113.80 1wm4 h LYS 93 Ca -0.06 -0.11 0.06 0.00 -2.18 0.00 0.00 60.65 58.36 1wm4 h LYS 93 Cb 1.46 0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 32.05 1wm4 h LYS 93 CO 0.15 0.82 -0.55 1.15 -1.08 0.00 0.00 179.45 179.95 1wm4 h THR 94 N -0.55 0.01 -0.52 -0.16 2.02 0.23 1.13 112.91 115.07 1wm4 h THR 94 Ca -0.01 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.22 1wm4 h THR 94 Cb 0.86 0.01 -0.09 0.00 -1.74 0.00 0.00 68.15 67.20 1wm4 h THR 94 CO 0.03 0.00 -0.57 1.23 0.37 0.00 0.00 175.52 176.58 1wm4 h GLY 95 N -0.34 -0.98 0.84 2.16 0.00 -1.64 1.10 103.07 104.21 1wm4 h GLY 95 Ca 0.10 0.74 -0.01 0.00 0.00 0.00 0.00 47.33 48.16 1wm4 h GLY 95 CO -0.64 -0.08 -0.06 -0.91 0.00 0.00 0.00 176.54 174.84 1wm4 h THR 96 N -0.32 0.97 -0.46 4.70 1.35 -1.24 -3.02 112.91 114.87 1wm4 h THR 96 Ca 0.09 -0.35 0.03 0.00 -0.55 0.00 0.00 66.41 65.63 1wm4 h THR 96 Cb 0.56 1.19 -0.03 0.00 -1.73 0.00 0.00 68.15 68.13 1wm4 h THR 96 CO -0.66 0.08 0.26 0.44 -0.25 0.00 0.00 175.52 175.39 1wm4 h ASP 97 N -0.33 0.41 -0.89 5.36 5.19 0.20 0.17 116.42 126.52 1wm4 h ASP 97 Ca -0.02 0.01 0.25 0.00 -0.62 0.00 0.00 57.03 56.65 1wm4 h ASP 97 Cb 0.26 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 39.66 1wm4 h ASP 97 CO 0.03 0.29 0.63 0.07 -3.12 0.00 0.00 179.24 177.14 1wm4 h LYS 98 N 0.52 0.09 -0.81 3.56 2.10 0.13 0.90 116.57 123.05 1wm4 h LYS 98 Ca 0.19 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.82 1wm4 h LYS 98 Cb 0.04 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 31.32 1wm4 h LYS 98 CO -0.10 0.06 0.45 1.15 -2.00 0.00 0.00 179.45 179.01 1wm4 h THR 99 N 0.09 1.24 -0.26 0.07 2.02 -0.83 -0.92 112.91 114.31 1wm4 h THR 99 Ca 0.44 -0.58 0.05 0.00 0.77 0.00 0.00 66.41 67.09 1wm4 h THR 99 Cb 1.59 0.14 -0.08 0.00 -1.74 0.00 0.00 68.15 68.06 1wm4 h THR 99 CO -0.05 0.26 -0.47 -0.07 0.37 0.00 0.00 175.52 175.57 1wm4 h LEU 100 N 1.12 -1.51 -0.12 2.58 3.38 0.92 1.16 115.31 122.84 1wm4 h LEU 100 Ca 0.29 0.21 0.03 0.00 0.09 0.00 0.00 57.88 58.49 1wm4 h LEU 100 Cb 0.02 0.63 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1wm4 h LEU 100 CO -0.05 -0.42 -0.08 0.58 0.09 0.00 0.00 178.44 178.57 1wm4 h VAL 101 N -0.44 0.76 0.00 1.22 2.07 -1.44 0.72 116.25 119.15 1wm4 h VAL 101 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1wm4 h VAL 101 Cb 0.62 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1wm4 h VAL 101 CO -0.49 0.00 0.00 1.17 0.02 0.00 0.00 177.57 178.27 1wm4 n LYS 102 N -5.22 0.25 -0.13 1.57 4.81 0.09 -2.08 118.16 117.45 1wm4 n LYS 102 Ca -0.04 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.17 1wm4 n LYS 102 Cb 0.14 -1.15 -0.11 0.00 0.02 0.00 0.00 35.03 33.93 1wm4 n LYS 102 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1wm4 n GLU 103 N -0.65 0.62 -3.10 1.64 2.13 0.38 -4.70 120.64 116.97 1wm4 n GLU 103 Ca 0.02 0.20 -0.26 0.00 0.66 0.00 0.00 57.16 57.78 1wm4 n GLU 103 Cb 0.01 -1.51 -0.05 0.00 0.27 0.00 0.00 31.44 30.16 1wm4 n GLU 103 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1wm4 n VAL 104 N -3.71 2.40 -3.81 6.31 0.31 -0.88 -5.02 118.33 113.92 1wm4 n VAL 104 Ca -0.50 -5.32 -0.26 0.00 -0.01 0.00 0.00 64.34 58.25 1wm4 n VAL 104 Cb 0.94 -1.48 -0.17 0.00 -0.91 0.00 0.00 33.84 32.23 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 -3.62 0.72 0.00 2.52 0.11 -1.17 -4.94 120.40 114.01 1wm4 s VAL 105 Ca 0.45 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 1wm4 s VAL 105 Cb 0.25 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 34.12 1wm4 s VAL 105 CO -0.10 0.07 0.00 0.00 -3.33 0.00 0.00 175.10 171.74 1wm4 n GLN 106 N 5.01 1.02 -0.00 1.54 0.00 -1.26 -4.72 117.38 118.97 1wm4 n GLN 106 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.90 1wm4 n GLN 106 Cb 0.48 -0.87 0.00 0.00 0.00 0.00 0.00 30.24 29.85 1wm4 n GLN 106 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1wm4 n ASN 107 N -2.02 0.15 -3.87 2.61 4.13 -1.26 -4.55 115.26 110.44 1wm4 n ASN 107 Ca 0.00 -0.28 -0.13 0.00 1.68 0.00 0.00 54.58 55.85 1wm4 n ASN 107 Cb 0.37 -0.03 -0.14 0.00 -1.54 0.00 0.00 39.78 38.44 1wm4 n ASN 107 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1wm4 s PHE 108 N 1.15 0.07 0.09 3.10 -0.71 -1.26 -4.67 117.98 115.75 1wm4 s PHE 108 Ca 0.00 -0.00 -0.05 0.00 -1.04 0.00 0.00 56.93 55.83 1wm4 s PHE 108 Cb 0.00 -0.06 -0.24 0.00 -1.21 0.00 0.00 43.02 41.51 1wm4 s PHE 108 CO 0.00 -0.01 1.18 0.00 -1.34 0.00 0.00 175.22 175.05 1wm4 h ALA 109 N 6.22 0.15 -2.54 1.99 0.00 0.56 -3.47 119.26 122.17 1wm4 h ALA 109 Ca -0.26 -0.83 0.02 0.00 0.00 0.00 0.00 54.91 53.83 1wm4 h ALA 109 Cb 1.20 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.86 1wm4 h ALA 109 CO 0.51 0.90 0.31 0.21 0.00 0.00 0.00 179.25 181.18 1wm4 s LYS 110 N -2.82 1.07 0.19 0.00 2.20 -1.20 -5.05 119.74 114.13 1wm4 s LYS 110 Ca -0.05 -0.26 0.05 0.00 -0.36 0.00 0.00 55.97 55.35 1wm4 s LYS 110 Cb 0.07 0.49 -0.04 0.00 -1.51 0.00 0.00 37.83 36.85 1wm4 s LYS 110 CO 0.88 -0.44 0.18 -1.83 -0.36 0.00 0.00 175.35 173.79 1wm4 s GLU 111 N -2.98 3.00 0.04 4.03 4.04 -1.26 -2.09 118.70 123.48 1wm4 s GLU 111 Ca 0.00 -0.88 0.00 0.00 0.04 0.00 0.00 54.97 54.13 1wm4 s GLU 111 Cb -0.01 -2.68 -0.03 0.00 0.02 0.00 0.00 34.13 31.43 1wm4 s GLU 111 CO -0.07 0.47 -0.04 -0.06 -1.84 0.00 0.00 175.26 173.71 1wm4 s PHE 112 N -1.86 0.47 0.25 4.83 0.08 0.25 -4.85 117.98 117.15 1wm4 s PHE 112 Ca 0.32 -0.78 0.12 0.00 0.12 0.00 0.00 56.93 56.71 1wm4 s PHE 112 Cb -0.10 -0.32 -0.05 0.00 -0.57 0.00 0.00 43.02 41.98 1wm4 s PHE 112 CO 0.25 -0.25 -0.20 0.54 -0.10 0.00 0.00 175.22 175.46 1wm4 s VAL 113 N -2.63 2.50 0.03 -0.44 0.11 -1.26 -1.29 120.40 117.42 1wm4 s VAL 113 Ca -0.04 -2.23 0.02 0.00 -2.93 0.00 0.00 61.98 56.80 1wm4 s VAL 113 Cb -0.01 -2.27 -0.02 0.00 -1.53 0.00 0.00 36.38 32.54 1wm4 s VAL 113 CO -0.05 -0.29 -0.07 -0.63 -3.33 0.00 0.00 175.10 170.73 1wm4 s ILE 114 N -2.18 0.48 0.00 7.04 -1.09 -0.67 -4.82 121.20 119.96 1wm4 s ILE 114 Ca 0.27 -0.91 0.00 0.00 -2.23 0.00 0.00 60.65 57.77 1wm4 s ILE 114 Cb -0.06 -0.53 0.00 0.00 -1.58 0.00 0.00 42.46 40.28 1wm4 s ILE 114 CO 0.13 -0.30 0.10 -1.20 -1.23 0.00 0.00 174.94 172.44 1wm4 n SER 115 N 1.74 0.20 -3.66 3.58 7.64 -1.26 -3.23 113.62 118.63 1wm4 n SER 115 Ca -0.21 -0.67 -0.10 0.00 1.01 0.00 0.00 58.87 58.90 1wm4 n SER 115 Cb 0.55 0.13 -0.08 0.00 -1.01 0.00 0.00 64.21 63.80 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 -0.13 -0.77 0.60 6.43 1.11 -1.26 -4.92 116.67 117.73 1wm4 s ASP 116 Ca 0.00 1.33 0.28 0.00 0.18 0.00 0.00 52.55 54.34 1wm4 s ASP 116 Cb 0.00 1.26 1.13 0.00 1.07 0.00 0.00 42.92 46.37 1wm4 s ASP 116 CO 0.00 -0.23 1.51 -0.09 1.18 0.00 0.00 175.17 177.54 1wm4 h ARG 117 N 6.35 0.00 0.00 8.23 2.43 -1.97 3.03 114.38 132.44 1wm4 h ARG 117 Ca -0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1wm4 h ARG 117 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1wm4 h ARG 117 CO 0.16 0.00 0.00 -0.22 -1.51 0.00 0.00 179.97 178.40 1wm4 h LYS 118 N 0.00 0.00 -0.01 0.20 3.64 -1.99 -2.75 116.57 115.67 1wm4 h LYS 118 Ca 0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1wm4 h LYS 118 Cb 2.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.16 1wm4 h LYS 118 CO -0.00 0.00 -0.11 0.39 -2.27 0.00 0.00 179.45 177.46 1wm4 n GLU 119 N -2.87 0.94 -1.13 1.90 1.02 1.01 -3.62 120.64 117.90 1wm4 n GLU 119 Ca 0.03 -0.40 -0.18 0.00 -0.02 0.00 0.00 57.16 56.59 1wm4 n GLU 119 Cb 0.41 -1.49 0.17 0.00 -0.02 0.00 0.00 31.44 30.51 1wm4 n GLU 119 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1wm4 n LEU 120 N -0.68 5.87 -4.86 -4.62 0.00 -1.03 -4.79 117.00 106.88 1wm4 n LEU 120 Ca 0.16 -3.79 -0.31 0.00 0.00 0.00 0.00 56.01 52.07 1wm4 n LEU 120 Cb 0.29 -0.77 -0.03 0.00 0.00 0.00 0.00 43.42 42.91 1wm4 n LEU 120 CO 0.22 1.21 0.57 -1.61 0.00 0.00 0.00 177.39 177.78 1wm4 s GLU 121 N -3.35 3.84 0.01 1.96 0.41 -1.24 -4.97 118.70 115.36 1wm4 s GLU 121 Ca 0.53 0.70 -0.25 0.00 -0.41 0.00 0.00 54.97 55.54 1wm4 s GLU 121 Cb 0.46 -2.26 -0.19 0.00 -1.78 0.00 0.00 34.13 30.36 1wm4 s GLU 121 CO 0.05 -0.18 1.36 0.93 -0.49 0.00 0.00 175.26 176.94 1wm4 h GLU 122 N 0.98 -0.07 0.00 1.61 5.08 -1.94 -2.33 114.58 117.90 1wm4 h GLU 122 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1wm4 h GLU 122 Cb 1.19 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1wm4 h GLU 122 CO 0.63 0.29 0.06 -0.44 -1.00 0.00 0.00 179.01 178.55 1wm4 h ASP 123 N -0.43 0.00 0.01 1.42 5.19 -1.98 0.54 116.42 121.18 1wm4 h ASP 123 Ca -0.01 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.27 1wm4 h ASP 123 Cb 0.38 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 1wm4 h ASP 123 CO 0.01 0.00 -0.70 0.15 -3.12 0.00 0.00 179.24 175.59 1wm4 h PHE 124 N 0.00 0.06 0.00 4.55 3.57 -1.81 -3.14 116.94 120.16 1wm4 h PHE 124 Ca 0.00 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1wm4 h PHE 124 Cb 0.13 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1wm4 h PHE 124 CO 0.00 1.27 0.00 -0.89 -2.23 0.00 0.00 178.31 176.46 1wm4 n ILE 125 N -4.46 0.38 -0.00 1.41 5.41 -0.71 -2.76 119.36 118.63 1wm4 n ILE 125 Ca -0.21 -0.04 -0.07 0.00 1.00 0.00 0.00 62.75 63.42 1wm4 n ILE 125 Cb 0.61 -0.64 -0.06 0.00 -0.71 0.00 0.00 39.64 38.85 1wm4 n ILE 125 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1wm4 h ARG 126 N 0.00 -0.11 0.00 0.38 9.65 -0.04 -1.43 114.38 122.83 1wm4 h ARG 126 Ca 0.00 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1wm4 h ARG 126 Cb 0.53 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 1wm4 h ARG 126 CO 0.00 0.28 0.00 1.03 2.80 0.00 0.00 179.97 184.08 1wm4 h SER 127 N -0.97 0.00 0.20 -3.80 0.87 -1.60 -1.69 113.55 106.55 1wm4 h SER 127 Ca -0.01 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.20 1wm4 h SER 127 Cb 0.44 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1wm4 h SER 127 CO 0.02 0.00 -1.71 -0.33 -0.53 0.00 0.00 176.83 174.28 1wm4 h GLU 128 N 0.00 0.41 0.00 2.24 3.07 -1.54 -3.30 114.58 115.47 1wm4 h GLU 128 Ca 0.00 -0.71 0.00 0.00 -0.50 0.00 0.00 59.36 58.15 1wm4 h GLU 128 Cb 0.28 0.26 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1wm4 h GLU 128 CO 0.00 1.34 0.00 1.28 -1.40 0.00 0.00 179.01 180.23 1wm4 n LEU 129 N -3.62 0.00 0.02 1.33 4.77 -0.54 -2.75 117.00 116.20 1wm4 n LEU 129 Ca -0.24 0.40 0.12 0.00 -0.03 0.00 0.00 56.01 56.26 1wm4 n LEU 129 Cb 1.07 -0.40 0.27 0.00 -2.33 0.00 0.00 43.42 42.04 1wm4 n LEU 129 CO 0.52 -0.02 0.48 0.29 -1.33 0.00 0.00 177.39 177.34 1wm4 n LYS 130 N -1.40 0.08 -0.04 3.23 4.01 -0.67 -4.32 118.16 119.06 1wm4 n LYS 130 Ca 0.10 0.02 -0.02 0.00 -0.51 0.00 0.00 58.31 57.90 1wm4 n LYS 130 Cb 0.28 -1.55 -0.01 0.00 -0.51 0.00 0.00 35.03 33.24 1wm4 n LYS 130 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 1wm4 h LYS 131 N 0.00 0.00 0.00 1.97 1.57 -1.61 -3.47 116.57 115.03 1wm4 h LYS 131 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wm4 h LYS 131 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1wm4 h LYS 131 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 1wm4 n ALA 132 N -2.98 0.00 -4.27 3.86 0.00 -1.24 -4.13 120.51 111.75 1wm4 n ALA 132 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.03 1wm4 n ALA 132 Cb 0.13 -0.04 -0.05 0.00 0.00 0.00 0.00 19.45 19.49 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 -1.93 -0.43 1.79 0.00 0.00 -1.26 -3.57 105.19 99.80 1wm4 n GLY 133 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.17 -3.58 0.11 -0.02 0.00 -1.26 -4.96 105.19 94.30 1wm4 n GLY 134 Ca 0.09 0.21 -0.12 0.00 0.00 0.00 0.00 46.02 46.20 1wm4 n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wm4 h ALA 135 N 1.10 -0.14 0.00 4.61 0.00 -1.90 -3.41 119.26 119.52 1wm4 h ALA 135 Ca -0.16 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1wm4 h ALA 135 Cb 0.35 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wm4 h ALA 135 CO 0.00 -0.30 -0.17 0.27 0.00 0.00 0.00 179.25 179.06 1wm4 n ASN 136 N -4.90 0.00 -2.17 0.00 2.04 -1.26 -4.86 115.26 104.10 1wm4 n ASN 136 Ca -0.08 -1.33 -0.28 0.00 -0.44 0.00 0.00 54.58 52.44 1wm4 n ASN 136 Cb 0.27 -0.07 0.07 0.00 -2.53 0.00 0.00 39.78 37.53 1wm4 n ASN 136 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1wm4 n TYR 137 N 0.00 2.67 -0.94 -2.53 9.36 -1.26 -3.98 117.16 120.48 1wm4 n TYR 137 Ca 0.00 -2.59 0.00 0.00 3.32 0.00 0.00 57.90 58.63 1wm4 n TYR 137 Cb 0.57 -1.25 0.00 0.00 -0.63 0.00 0.00 39.34 38.03 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 -0.54 0.09 -0.04 2.98 -0.08 -1.26 -4.92 116.55 112.77 1wm4 n ASP 138 Ca 0.52 -1.02 -0.04 0.00 -1.51 0.00 0.00 54.79 52.74 1wm4 n ASP 138 Cb 0.72 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.16 1wm4 n ASP 138 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wm4 n ALA 139 N -0.01 0.49 -2.34 -1.67 0.00 -1.26 -5.10 120.51 110.63 1wm4 n ALA 139 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1wm4 n ALA 139 Cb 0.33 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1wm4 n ALA 139 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wm4 n GLN 140 N -3.37 0.00 -2.94 0.00 1.13 -1.26 -5.13 117.38 105.81 1wm4 n GLN 140 Ca -0.06 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 54.99 1wm4 n GLN 140 Cb 0.23 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.58 1wm4 n GLN 140 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1wm4 s SER 141 N 1.00 -1.15 0.00 1.08 1.04 -1.26 -4.97 113.70 109.43 1wm4 s SER 141 Ca 0.00 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.54 1wm4 s SER 141 Cb 0.00 1.49 0.00 0.00 0.10 0.00 0.00 66.02 67.61 1wm4 s SER 141 CO 0.00 -0.09 0.00 1.21 0.98 0.00 0.00 173.24 175.34