#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 -0.02 -1.76 3.04 0.00 -1.26 -4.70 120.51 115.80 1wm4 n ALA 2 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1wm4 n ALA 2 Cb 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1wm4 n ALA 2 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wm4 n THR 3 N -2.88 -5.66 -4.19 0.00 -1.04 -1.26 -4.97 114.28 94.27 1wm4 n THR 3 Ca -0.01 2.59 -0.26 0.00 -2.04 0.00 0.00 64.05 64.32 1wm4 n THR 3 Cb 0.09 -3.48 -0.17 0.00 -1.82 0.00 0.00 70.33 64.95 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 -2.98 1.67 -0.16 -2.82 1.02 -1.22 -5.01 119.74 110.24 1wm4 s LYS 4 Ca 0.00 -0.34 -0.05 0.00 0.02 0.00 0.00 55.97 55.60 1wm4 s LYS 4 Cb 0.00 -1.56 -0.03 0.00 -0.52 0.00 0.00 37.83 35.72 1wm4 s LYS 4 CO 0.00 -0.15 -0.01 -1.50 -0.92 0.00 0.00 175.35 172.77 1wm4 s ILE 5 N 1.27 4.14 -0.97 2.17 1.10 -1.26 0.46 121.20 128.10 1wm4 s ILE 5 Ca -0.03 -0.27 -0.00 0.00 -0.51 0.00 0.00 60.65 59.84 1wm4 s ILE 5 Cb -0.14 -2.83 0.32 0.00 0.15 0.00 0.00 42.46 39.97 1wm4 s ILE 5 CO -0.04 0.49 1.68 -0.90 -2.11 0.00 0.00 174.94 174.06 1wm4 n ASP 6 N 3.48 6.88 0.14 4.50 5.68 -1.21 -4.79 116.55 131.22 1wm4 n ASP 6 Ca -0.17 -3.67 0.03 0.00 -0.50 0.00 0.00 54.79 50.48 1wm4 n ASP 6 Cb 0.52 -1.09 0.14 0.00 -1.14 0.00 0.00 41.12 39.55 1wm4 n ASP 6 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1wm4 n LYS 7 N 0.03 0.04 -0.02 0.11 4.01 -1.26 -0.91 118.16 120.16 1wm4 n LYS 7 Ca 0.43 0.45 -0.09 0.00 -0.51 0.00 0.00 58.31 58.60 1wm4 n LYS 7 Cb 0.28 -2.14 -0.03 0.00 -0.51 0.00 0.00 35.03 32.63 1wm4 n LYS 7 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 1wm4 h GLU 8 N 0.00 -0.08 0.61 1.97 5.08 -1.97 0.99 114.58 121.18 1wm4 h GLU 8 Ca 0.00 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1wm4 h GLU 8 Cb 1.02 0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.29 1wm4 h GLU 8 CO 0.00 -0.05 -0.30 0.00 -1.00 0.00 0.00 179.01 177.66 1wm4 h ALA 9 N 1.06 -0.83 0.35 3.43 0.00 -1.45 -1.10 119.26 120.73 1wm4 h ALA 9 Ca 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1wm4 h ALA 9 Cb 0.22 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1wm4 h ALA 9 CO -0.22 -0.83 -0.24 0.00 0.00 0.00 0.00 179.25 177.96 1wm4 h ARG 11 N -0.56 -0.23 -0.75 0.00 1.12 0.91 1.70 114.38 116.57 1wm4 h ARG 11 Ca -0.05 0.02 0.17 0.00 -1.11 0.00 0.00 59.98 59.01 1wm4 h ARG 11 Cb 0.46 0.05 -0.05 0.00 -0.01 0.00 0.00 29.97 30.43 1wm4 h ARG 11 CO 0.03 -0.16 0.51 0.00 -3.11 0.00 0.00 179.97 177.24 1wm4 h ALA 12 N 0.46 2.29 0.24 2.80 0.00 -1.10 -0.90 119.26 123.04 1wm4 h ALA 12 Ca 0.16 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.72 1wm4 h ALA 12 Cb 0.56 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.36 1wm4 h ALA 12 CO -0.70 -0.50 -1.53 0.00 0.00 0.00 0.00 179.25 176.52 1wm4 h ALA 13 N 1.65 -0.08 -0.53 0.00 0.00 0.33 -2.77 119.26 117.86 1wm4 h ALA 13 Ca 0.37 -0.92 0.11 0.00 0.00 0.00 0.00 54.91 54.46 1wm4 h ALA 13 Cb 1.03 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 1wm4 h ALA 13 CO -0.09 0.78 -0.07 1.88 0.00 0.00 0.00 179.25 181.75 1wm4 h TYR 14 N 0.14 -0.16 0.00 0.00 -1.99 0.35 0.10 116.97 115.41 1wm4 h TYR 14 Ca -0.27 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.50 1wm4 h TYR 14 Cb 2.15 0.15 0.00 0.00 2.00 0.00 0.00 36.73 41.03 1wm4 h TYR 14 CO 0.12 -0.18 -0.01 -2.95 -0.00 0.00 0.00 178.16 175.14 1wm4 h ASN 15 N 0.05 0.00 0.92 3.88 -0.00 -1.58 -3.16 115.58 115.69 1wm4 h ASN 15 Ca 0.26 -0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.53 1wm4 h ASN 15 Cb 0.41 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.72 1wm4 h ASN 15 CO -0.49 0.00 -0.14 0.25 -0.00 0.00 0.00 177.43 177.04 1wm4 h LEU 16 N 0.00 0.00 -0.80 6.14 5.85 -0.51 -2.27 115.31 123.72 1wm4 h LEU 16 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1wm4 h LEU 16 Cb 0.87 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1wm4 h LEU 16 CO 0.00 0.14 -0.19 1.33 -0.34 0.00 0.00 178.44 179.39 1wm4 n VAL 17 N -3.31 0.00 0.26 1.05 0.24 -0.90 -3.98 118.33 111.69 1wm4 n VAL 17 Ca 0.00 -0.21 0.02 0.00 -2.04 0.00 0.00 64.34 62.12 1wm4 n VAL 17 Cb 0.38 0.61 0.13 0.00 -1.47 0.00 0.00 33.84 33.48 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 -0.18 0.10 -3.68 7.34 0.63 -0.85 -4.63 116.66 115.39 1wm4 n ARG 18 Ca 0.14 0.17 -0.24 0.00 -0.92 0.00 0.00 57.85 57.01 1wm4 n ARG 18 Cb 0.38 -1.50 -0.02 0.00 0.45 0.00 0.00 32.46 31.77 1wm4 n ARG 18 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1wm4 s ASP 19 N -2.41 6.32 0.00 6.15 2.15 -1.26 -4.93 116.67 122.70 1wm4 s ASP 19 Ca 0.05 0.29 0.00 0.00 0.43 0.00 0.00 52.55 53.33 1wm4 s ASP 19 Cb 0.03 -1.96 0.00 0.00 -0.30 0.00 0.00 42.92 40.69 1wm4 s ASP 19 CO 0.07 -0.15 0.28 -0.90 -0.17 0.00 0.00 175.17 174.30 1wm4 n ASP 20 N -1.39 0.27 0.00 -0.34 5.68 -1.26 -4.21 116.55 115.30 1wm4 n ASP 20 Ca -0.06 -0.84 0.00 0.00 -0.50 0.00 0.00 54.79 53.39 1wm4 n ASP 20 Cb 0.56 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1wm4 n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wm4 n GLY 21 N 0.16 -0.63 0.18 6.12 0.00 -1.26 -5.09 105.19 104.68 1wm4 n GLY 21 Ca 0.00 0.26 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 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 1.92 0.00 1.61 7.64 -1.26 -5.11 113.62 118.43 1wm4 n SER 22 Ca 0.00 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1wm4 n SER 22 Cb 0.00 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 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 -3.77 0.00 -1.59 -0.43 0.00 -1.26 -5.08 120.51 108.38 1wm4 n ALA 23 Ca -0.46 0.00 -0.62 0.00 0.00 0.00 0.00 53.44 52.35 1wm4 n ALA 23 Cb 0.89 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.25 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 0.00 0.00 0.24 0.00 0.24 -1.26 -4.83 118.33 112.71 1wm4 n VAL 24 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 1wm4 n VAL 24 Cb 0.00 -0.31 -0.08 0.00 -1.47 0.00 0.00 33.84 31.98 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 4.12 0.56 -3.03 1.34 2.10 -1.62 -3.43 117.51 117.55 1wm4 h ILE 25 Ca -0.45 -0.26 -0.43 0.00 1.08 0.00 0.00 64.86 64.81 1wm4 h ILE 25 Cb 1.33 0.69 -0.14 0.00 -1.09 0.00 0.00 36.82 37.61 1wm4 h ILE 25 CO 0.83 0.05 -0.67 -1.66 -1.08 0.00 0.00 178.15 175.62 1wm4 s TRP 26 N -5.44 1.72 -0.03 2.19 1.48 -1.25 -4.35 118.94 113.25 1wm4 s TRP 26 Ca -0.15 -0.83 0.02 0.00 -1.06 0.00 0.00 56.10 54.08 1wm4 s TRP 26 Cb 0.03 -0.99 0.01 0.00 -1.16 0.00 0.00 33.47 31.36 1wm4 s TRP 26 CO 0.59 0.10 -0.07 0.14 -4.06 0.00 0.00 176.95 173.65 1wm4 s VAL 27 N -3.25 0.64 -0.03 -0.66 -7.23 -1.25 -3.58 120.40 105.05 1wm4 s VAL 27 Ca 0.29 -0.25 0.05 0.00 -1.81 0.00 0.00 61.98 60.26 1wm4 s VAL 27 Cb 0.05 -0.61 -0.01 0.00 0.56 0.00 0.00 36.38 36.37 1wm4 s VAL 27 CO 0.10 0.22 -0.18 0.42 -0.31 0.00 0.00 175.10 175.35 1wm4 s THR 28 N 0.47 1.45 0.32 5.32 -4.23 -1.25 -3.91 115.64 113.81 1wm4 s THR 28 Ca -0.07 -0.76 0.10 0.00 -1.18 0.00 0.00 61.69 59.78 1wm4 s THR 28 Cb -0.11 -1.22 -0.06 0.00 1.34 0.00 0.00 72.50 72.46 1wm4 s THR 28 CO 0.00 0.41 -0.06 0.72 -0.54 0.00 0.00 174.62 175.16 1wm4 s PHE 29 N -0.22 2.47 -0.01 3.99 -0.71 -1.26 -2.52 117.98 119.73 1wm4 s PHE 29 Ca 0.02 -0.42 -0.01 0.00 -1.04 0.00 0.00 56.93 55.48 1wm4 s PHE 29 Cb -0.09 -1.34 -0.00 0.00 -1.21 0.00 0.00 43.02 40.38 1wm4 s PHE 29 CO 0.01 0.57 0.03 -0.98 -1.34 0.00 0.00 175.22 173.50 1wm4 s ARG 30 N -3.64 0.11 -0.94 1.99 1.70 -1.08 -3.99 118.95 113.10 1wm4 s ARG 30 Ca 0.33 -0.09 -0.28 0.00 -0.47 0.00 0.00 55.73 55.23 1wm4 s ARG 30 Cb -0.01 0.04 -0.22 0.00 -0.57 0.00 0.00 34.95 34.20 1wm4 s ARG 30 CO 0.18 -0.02 2.59 0.66 -1.08 0.00 0.00 175.30 177.63 1wm4 n TYR 31 N 2.73 0.61 -3.26 5.89 4.02 -1.26 -4.07 117.16 121.82 1wm4 n TYR 31 Ca -0.15 0.29 -0.45 0.00 -0.01 0.00 0.00 57.90 57.59 1wm4 n TYR 31 Cb 0.59 -2.18 -0.05 0.00 -0.02 0.00 0.00 39.34 37.67 1wm4 n TYR 31 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1wm4 s ASP 32 N 8.31 6.18 1.77 7.72 -1.08 -0.80 -4.93 116.67 133.84 1wm4 s ASP 32 Ca 1.30 -1.51 0.00 0.00 -0.52 0.00 0.00 52.55 51.82 1wm4 s ASP 32 Cb -1.06 -2.24 0.00 0.00 -1.46 0.00 0.00 42.92 38.16 1wm4 s ASP 32 CO 0.46 -0.89 0.00 0.61 0.52 0.00 0.00 175.17 175.87 1wm4 n GLY 33 N 5.24 4.14 1.32 2.66 0.00 -1.26 -1.02 105.19 116.27 1wm4 n GLY 33 Ca -0.12 0.18 0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 12.63 3.75 -3.38 4.61 0.00 -1.26 -4.94 120.51 131.91 1wm4 n ALA 34 Ca 0.00 -2.45 -0.13 0.00 0.00 0.00 0.00 53.44 50.86 1wm4 n ALA 34 Cb 0.00 -0.90 -0.14 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.95 -0.03 -0.46 0.00 2.01 -0.19 -3.42 115.64 110.60 1wm4 s THR 35 Ca 0.47 0.09 -0.26 0.00 0.31 0.00 0.00 61.69 62.31 1wm4 s THR 35 Cb 0.39 -0.21 0.03 0.00 0.01 0.00 0.00 72.50 72.71 1wm4 s THR 35 CO 0.09 0.04 0.95 -0.63 -0.69 0.00 0.00 174.62 174.38 1wm4 s ILE 36 N 0.63 4.45 0.09 1.82 1.09 0.17 -1.90 121.20 127.54 1wm4 s ILE 36 Ca -0.05 0.82 0.02 0.00 -1.10 0.00 0.00 60.65 60.35 1wm4 s ILE 36 Cb -0.06 -4.45 -0.04 0.00 -1.06 0.00 0.00 42.46 36.85 1wm4 s ILE 36 CO -0.03 -0.84 -0.07 0.68 -0.10 0.00 0.00 174.94 174.58 1wm4 s VAL 37 N 3.82 0.68 0.22 2.92 -7.23 -1.26 -3.31 120.40 116.24 1wm4 s VAL 37 Ca 0.38 -1.82 -0.31 0.00 -1.81 0.00 0.00 61.98 58.43 1wm4 s VAL 37 Cb -0.10 -1.53 -0.15 0.00 0.56 0.00 0.00 36.38 35.16 1wm4 s VAL 37 CO 0.27 -0.80 1.21 -0.81 -0.31 0.00 0.00 175.10 174.65 1wm4 n PRO 38 N 0.17 1.48 0.00 4.82 -0.04 -1.26 -2.64 135.00 137.53 1wm4 n PRO 38 Ca -0.14 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1wm4 n PRO 38 Cb 0.60 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 1wm4 n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wm4 n GLY 39 N 1.87 0.00 2.80 0.55 0.00 -1.05 -4.80 105.19 104.56 1wm4 n GLY 39 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.87 -0.79 -2.40 1.61 8.00 -1.11 -5.02 116.55 115.98 1wm4 n ASP 40 Ca 0.00 -2.81 -0.05 0.00 0.71 0.00 0.00 54.79 52.65 1wm4 n ASP 40 Cb 0.07 1.68 0.02 0.00 -0.02 0.00 0.00 41.12 42.87 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 -0.53 0.67 -3.65 -1.24 -0.00 -1.26 -3.81 117.38 107.56 1wm4 n GLN 41 Ca 0.05 -1.38 -0.14 0.00 -0.00 0.00 0.00 57.00 55.53 1wm4 n GLN 41 Cb 0.52 1.76 -0.08 0.00 -0.00 0.00 0.00 30.24 32.44 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 -2.66 -0.47 0.00 2.61 0.00 -1.24 -4.80 107.32 100.76 1wm4 s GLY 42 Ca 0.13 1.62 0.16 0.00 0.00 0.00 0.00 44.72 46.63 1wm4 s GLY 42 CO 0.07 1.36 0.71 0.00 0.00 0.00 0.00 173.10 175.24 1wm4 n ALA 43 N 2.41 3.85 -3.63 3.20 0.00 -1.26 -1.81 120.51 123.26 1wm4 n ALA 43 Ca -0.15 -0.46 -0.09 0.00 0.00 0.00 0.00 53.44 52.74 1wm4 n ALA 43 Cb 0.56 -0.57 -0.01 0.00 0.00 0.00 0.00 19.45 19.43 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 -2.35 0.02 0.03 0.00 1.01 -1.26 -4.65 116.67 109.47 1wm4 s ASP 44 Ca 0.08 -0.99 0.20 0.00 0.71 0.00 0.00 52.55 52.55 1wm4 s ASP 44 Cb 0.12 0.76 0.86 0.00 1.01 0.00 0.00 42.92 45.67 1wm4 s ASP 44 CO 0.59 -1.47 1.65 0.00 0.21 0.00 0.00 175.17 176.15 1wm4 n TYR 45 N -0.49 0.12 0.10 4.23 9.36 -1.26 -3.01 117.16 126.20 1wm4 n TYR 45 Ca -0.05 0.04 -0.04 0.00 3.32 0.00 0.00 57.90 61.17 1wm4 n TYR 45 Cb 0.60 -0.57 0.04 0.00 -0.63 0.00 0.00 39.34 38.79 1wm4 n TYR 45 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 1wm4 h GLN 46 N 0.00 0.02 0.00 2.98 1.08 -2.01 -3.01 115.11 114.18 1wm4 h GLN 46 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1wm4 h GLN 46 Cb 0.36 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1wm4 h GLN 46 CO 0.00 0.80 0.00 1.58 -0.95 0.00 0.00 178.83 180.26 1wm4 n HIS 47 N -3.62 0.00 -0.08 2.96 -0.00 -1.17 -3.55 115.22 109.77 1wm4 n HIS 47 Ca -0.01 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.03 1wm4 n HIS 47 Cb 0.76 -0.20 -0.11 0.00 -0.12 0.00 0.00 29.99 30.32 1wm4 n HIS 47 CO 0.00 0.00 0.00 0.35 0.46 0.00 0.00 176.34 177.15 1wm4 h PHE 48 N 0.00 0.00 -0.22 1.57 3.57 -1.68 -2.66 116.94 117.52 1wm4 h PHE 48 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1wm4 h PHE 48 Cb 0.19 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1wm4 h PHE 48 CO 0.00 0.98 -0.02 0.82 -2.23 0.00 0.00 178.31 177.86 1wm4 h ILE 49 N -1.00 1.15 0.00 1.41 5.03 -1.68 2.13 117.51 124.54 1wm4 h ILE 49 Ca -0.09 -0.60 -0.02 0.00 -0.12 0.00 0.00 64.86 64.03 1wm4 h ILE 49 Cb 0.96 1.01 -0.00 0.00 -3.03 0.00 0.00 36.82 35.75 1wm4 h ILE 49 CO -0.06 0.20 -0.10 -0.61 -0.68 0.00 0.00 178.15 176.90 1wm4 h GLN 50 N 0.32 0.00 0.00 2.37 -0.00 -1.68 -2.64 115.11 113.48 1wm4 h GLN 50 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.72 1wm4 h GLN 50 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.73 1wm4 h GLN 50 CO 0.01 0.10 -1.24 1.04 0.00 0.00 0.00 178.83 178.73 1wm4 n GLN 51 N -3.19 0.33 -2.54 1.69 1.13 0.10 -4.42 117.38 110.48 1wm4 n GLN 51 Ca 0.01 -0.04 -0.28 0.00 -1.94 0.00 0.00 57.00 54.74 1wm4 n GLN 51 Cb 0.41 -1.57 -0.01 0.00 0.11 0.00 0.00 30.24 29.19 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 -5.24 2.53 -1.78 0.00 -4.23 -1.21 -4.85 115.64 100.86 1wm4 s THR 53 Ca 0.48 0.17 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 1wm4 s THR 53 Cb 0.37 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 71.42 1wm4 s THR 53 CO -0.20 -0.22 0.47 0.47 -0.54 0.00 0.00 174.62 174.60 1wm4 n ASP 54 N -3.78 0.12 -0.34 3.99 8.00 -1.26 -2.37 116.55 120.91 1wm4 n ASP 54 Ca 0.07 -1.05 0.08 0.00 0.71 0.00 0.00 54.79 54.60 1wm4 n ASP 54 Cb 0.57 -0.06 0.17 0.00 -0.02 0.00 0.00 41.12 41.78 1wm4 n ASP 54 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1wm4 n ASP 55 N -0.34 2.00 -3.89 -2.24 8.00 -1.26 -1.97 116.55 116.86 1wm4 n ASP 55 Ca 0.00 -3.45 -0.09 0.00 0.71 0.00 0.00 54.79 51.96 1wm4 n ASP 55 Cb 0.03 -0.47 -0.07 0.00 -0.02 0.00 0.00 41.12 40.59 1wm4 n ASP 55 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wm4 s VAL 56 N -2.98 0.09 -0.04 2.53 0.11 -1.00 -4.90 120.40 114.22 1wm4 s VAL 56 Ca 0.34 -1.22 -0.00 0.00 -2.93 0.00 0.00 61.98 58.17 1wm4 s VAL 56 Cb 0.32 -1.58 0.03 0.00 -1.53 0.00 0.00 36.38 33.61 1wm4 s VAL 56 CO -0.02 -0.43 0.02 0.00 -3.33 0.00 0.00 175.10 171.34 1wm4 s ARG 57 N -3.91 0.19 0.05 1.54 1.04 -1.26 -1.19 118.95 115.41 1wm4 s ARG 57 Ca 0.11 0.17 -0.27 0.00 -1.04 0.00 0.00 55.73 54.70 1wm4 s ARG 57 Cb 0.04 -0.52 0.10 0.00 -2.04 0.00 0.00 34.95 32.53 1wm4 s ARG 57 CO -0.05 -0.21 1.18 -0.48 -0.04 0.00 0.00 175.30 175.70 1wm4 s LEU 58 N 1.44 -0.05 0.16 -1.89 0.05 -0.43 -4.73 118.68 113.23 1wm4 s LEU 58 Ca -0.04 -0.30 0.06 0.00 0.05 0.00 0.00 54.13 53.89 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 -0.03 -0.54 0.09 -0.36 -0.55 0.00 0.00 176.35 174.97 1wm4 s PHE 59 N -2.44 3.06 0.10 3.48 0.08 -1.26 0.22 117.98 121.22 1wm4 s PHE 59 Ca 0.19 -0.05 0.03 0.00 0.12 0.00 0.00 56.93 57.22 1wm4 s PHE 59 Cb 0.01 -1.48 -0.04 0.00 -0.57 0.00 0.00 43.02 40.94 1wm4 s PHE 59 CO -0.00 0.52 -0.08 0.00 -0.10 0.00 0.00 175.22 175.56 1wm4 s ALA 60 N -1.72 1.00 -0.32 5.36 0.00 0.80 -4.01 121.76 122.87 1wm4 s ALA 60 Ca 0.30 -1.25 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1wm4 s ALA 60 Cb -0.10 0.10 0.15 0.00 0.00 0.00 0.00 23.12 23.27 1wm4 s ALA 60 CO 0.22 -0.14 0.38 0.12 0.00 0.00 0.00 175.76 176.33 1wm4 s PHE 61 N -3.01 -0.67 0.24 0.00 5.36 -1.25 -0.30 117.98 118.35 1wm4 s PHE 61 Ca 0.08 -0.17 0.10 0.00 -0.96 0.00 0.00 56.93 55.97 1wm4 s PHE 61 Cb 0.01 -0.30 -0.04 0.00 -0.34 0.00 0.00 43.02 42.35 1wm4 s PHE 61 CO -0.02 -0.97 -0.06 0.54 -1.46 0.00 0.00 175.22 173.24 1wm4 s VAL 62 N 2.12 3.22 -0.10 3.12 0.11 -1.24 -3.83 120.40 123.80 1wm4 s VAL 62 Ca 0.12 -1.90 -0.25 0.00 -2.93 0.00 0.00 61.98 57.02 1wm4 s VAL 62 Cb -0.13 -2.68 -0.03 0.00 -1.53 0.00 0.00 36.38 32.02 1wm4 s VAL 62 CO -0.22 -0.29 0.81 -0.60 -3.33 0.00 0.00 175.10 171.47 1wm4 s ARG 63 N -3.37 4.40 0.18 1.54 3.52 -1.26 -3.93 118.95 120.03 1wm4 s ARG 63 Ca 0.29 1.04 0.05 0.00 -0.13 0.00 0.00 55.73 56.98 1wm4 s ARG 63 Cb -0.07 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.78 1wm4 s ARG 63 CO 0.18 -0.13 0.19 -0.06 -0.81 0.00 0.00 175.30 174.67 1wm4 s PHE 64 N 1.42 3.23 0.31 5.12 0.08 -0.15 -4.96 117.98 123.03 1wm4 s PHE 64 Ca 0.41 -0.00 -0.27 0.00 0.12 0.00 0.00 56.93 57.18 1wm4 s PHE 64 Cb -0.18 -1.53 -0.10 0.00 -0.57 0.00 0.00 43.02 40.64 1wm4 s PHE 64 CO 0.17 0.51 0.95 0.99 -0.10 0.00 0.00 175.22 177.75 1wm4 s THR 65 N -1.82 4.15 -0.71 0.64 2.01 -1.26 -0.91 115.64 117.74 1wm4 s THR 65 Ca 0.32 1.87 0.02 0.00 0.31 0.00 0.00 61.69 64.21 1wm4 s THR 65 Cb -0.10 -4.07 0.36 0.00 0.01 0.00 0.00 72.50 68.70 1wm4 s THR 65 CO 0.25 0.22 1.48 0.41 -0.69 0.00 0.00 174.62 176.30 1wm4 n THR 66 N 0.76 3.71 -0.34 -0.82 -1.04 -1.26 -4.67 114.28 110.62 1wm4 n THR 66 Ca 0.01 -5.15 0.00 0.00 -2.04 0.00 0.00 64.05 56.87 1wm4 n THR 66 Cb 0.49 -1.35 0.00 0.00 -1.82 0.00 0.00 70.33 67.65 1wm4 n THR 66 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wm4 n GLY 67 N -0.35 -0.43 3.51 3.41 0.00 -1.26 -4.80 105.19 105.27 1wm4 n GLY 67 Ca 0.43 -0.78 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 1wm4 n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wm4 n ASP 68 N 0.00 -0.73 0.00 1.61 8.00 -1.26 -4.01 116.55 120.15 1wm4 n ASP 68 Ca 0.00 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 54.91 1wm4 n ASP 68 Cb 0.00 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 40.35 1wm4 n ASP 68 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wm4 n ALA 69 N 8.14 0.35 -4.06 2.24 0.00 -1.26 -5.02 120.51 120.90 1wm4 n ALA 69 Ca 0.64 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.72 1wm4 n ALA 69 Cb 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.61 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 0.00 -1.14 -0.01 0.00 1.56 -1.26 -4.69 117.12 111.59 1wm4 n MET 70 Ca 0.00 0.20 0.00 0.00 -0.27 0.00 0.00 57.70 57.63 1wm4 n MET 70 Cb 0.29 -3.43 0.00 0.00 2.15 0.00 0.00 33.22 32.23 1wm4 n MET 70 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1wm4 n SER 71 N -2.59 1.73 -1.69 6.12 3.41 -1.26 -4.64 113.62 114.69 1wm4 n SER 71 Ca -0.20 -1.14 -0.17 0.00 -0.26 0.00 0.00 58.87 57.10 1wm4 n SER 71 Cb 0.63 -0.29 -0.06 0.00 -0.26 0.00 0.00 64.21 64.23 1wm4 n SER 71 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1wm4 n LYS 72 N 0.77 -1.50 -3.53 4.33 4.81 -1.26 -4.87 118.16 116.92 1wm4 n LYS 72 Ca 0.00 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 1wm4 n LYS 72 Cb 0.28 -5.32 -0.06 0.00 0.02 0.00 0.00 35.03 29.95 1wm4 n LYS 72 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1wm4 s ARG 73 N -3.77 0.23 0.00 1.64 1.70 -1.26 -5.18 118.95 112.31 1wm4 s ARG 73 Ca 0.00 0.46 0.00 0.00 -0.47 0.00 0.00 55.73 55.72 1wm4 s ARG 73 Cb 0.00 0.14 0.00 0.00 -0.57 0.00 0.00 34.95 34.52 1wm4 s ARG 73 CO 0.00 -0.06 0.00 0.45 -1.08 0.00 0.00 175.30 174.61 1wm4 n SER 74 N 3.94 0.49 -4.61 -2.89 2.88 -1.26 -4.67 113.62 107.50 1wm4 n SER 74 Ca -0.15 -0.19 -0.28 0.00 -1.33 0.00 0.00 58.87 56.92 1wm4 n SER 74 Cb 0.56 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.93 1wm4 n SER 74 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1wm4 s LYS 75 N 1.65 2.22 -0.06 -1.46 2.47 -0.09 -4.83 119.74 119.64 1wm4 s LYS 75 Ca 0.00 -1.10 0.00 0.00 -1.56 0.00 0.00 55.97 53.32 1wm4 s LYS 75 Cb 0.00 -2.30 0.02 0.00 -1.46 0.00 0.00 37.83 34.09 1wm4 s LYS 75 CO 0.00 0.48 -0.04 -0.06 0.16 0.00 0.00 175.35 175.89 1wm4 s PHE 76 N -1.50 0.80 0.07 4.03 0.08 -1.26 -0.98 117.98 119.22 1wm4 s PHE 76 Ca 0.24 -0.24 -0.06 0.00 0.12 0.00 0.00 56.93 56.99 1wm4 s PHE 76 Cb -0.10 -0.75 -0.01 0.00 -0.57 0.00 0.00 43.02 41.59 1wm4 s PHE 76 CO 0.16 -0.25 0.12 0.00 -0.10 0.00 0.00 175.22 175.14 1wm4 s ALA 77 N 1.24 -0.00 0.20 5.36 0.00 -1.25 -0.73 121.76 126.57 1wm4 s ALA 77 Ca -0.06 -0.77 0.09 0.00 0.00 0.00 0.00 51.96 51.22 1wm4 s ALA 77 Cb -0.14 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 1wm4 s ALA 77 CO -0.02 -0.45 -0.05 -1.17 0.00 0.00 0.00 175.76 174.08 1wm4 s LEU 78 N -2.78 3.12 -0.01 0.00 0.20 -1.24 -3.65 118.68 114.32 1wm4 s LEU 78 Ca 0.04 -0.54 0.01 0.00 0.69 0.00 0.00 54.13 54.32 1wm4 s LEU 78 Cb 0.05 -1.76 0.01 0.00 -0.43 0.00 0.00 46.19 44.06 1wm4 s LEU 78 CO -0.10 0.07 -0.01 -0.63 -0.29 0.00 0.00 176.35 175.39 1wm4 s ILE 79 N -1.86 0.18 -0.27 6.68 1.01 0.59 -1.36 121.20 126.16 1wm4 s ILE 79 Ca 0.27 -0.02 -0.15 0.00 0.00 0.00 0.00 60.65 60.76 1wm4 s ILE 79 Cb -0.08 -0.20 -0.04 0.00 0.01 0.00 0.00 42.46 42.14 1wm4 s ILE 79 CO 0.17 0.09 0.36 -0.89 0.00 0.00 0.00 174.94 174.67 1wm4 s THR 80 N 0.40 5.18 -0.41 2.92 2.01 -0.98 -0.14 115.64 124.62 1wm4 s THR 80 Ca -0.04 0.55 -0.20 0.00 0.31 0.00 0.00 61.69 62.31 1wm4 s THR 80 Cb -0.06 -3.69 0.02 0.00 0.01 0.00 0.00 72.50 68.78 1wm4 s THR 80 CO -0.01 0.17 0.59 0.86 -0.69 0.00 0.00 174.62 175.53 1wm4 s TRP 81 N 2.02 3.11 -0.64 4.92 -0.11 0.58 -2.58 118.94 126.23 1wm4 s TRP 81 Ca 0.15 -0.03 -0.08 0.00 1.22 0.00 0.00 56.10 57.36 1wm4 s TRP 81 Cb -0.16 -3.18 0.17 0.00 -1.50 0.00 0.00 33.47 28.80 1wm4 s TRP 81 CO 0.10 -0.76 0.51 0.42 -4.62 0.00 0.00 176.95 172.59 1wm4 s ILE 82 N 2.62 4.37 0.56 5.86 -1.09 -1.24 -1.31 121.20 130.97 1wm4 s ILE 82 Ca 0.20 -2.52 -0.21 0.00 -2.23 0.00 0.00 60.65 55.90 1wm4 s ILE 82 Cb -0.15 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.88 1wm4 s ILE 82 CO 0.17 -0.89 1.32 -0.83 -1.23 0.00 0.00 174.94 173.47 1wm4 s GLY 83 N 1.62 2.86 0.20 6.18 0.00 -0.33 -4.80 107.32 113.05 1wm4 s GLY 83 Ca 0.14 1.26 0.25 0.00 0.00 0.00 0.00 44.72 46.37 1wm4 s GLY 83 CO -0.04 1.74 1.75 1.18 0.00 0.00 0.00 173.10 177.73 1wm4 n GLU 84 N -1.20 0.21 -1.19 2.90 -0.58 -0.83 -3.16 120.64 116.79 1wm4 n GLU 84 Ca 0.11 0.27 -0.28 0.00 -0.42 0.00 0.00 57.16 56.84 1wm4 n GLU 84 Cb 0.46 -1.79 0.10 0.00 -0.57 0.00 0.00 31.44 29.64 1wm4 n GLU 84 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1wm4 n ASP 85 N -2.15 6.31 -4.90 1.62 2.03 -1.05 -4.95 116.55 113.45 1wm4 n ASP 85 Ca 0.04 -3.56 -0.21 0.00 0.52 0.00 0.00 54.79 51.58 1wm4 n ASP 85 Cb 0.34 -0.94 -0.03 0.00 -0.72 0.00 0.00 41.12 39.77 1wm4 n ASP 85 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1wm4 s VAL 86 N -3.85 4.78 0.02 5.18 1.01 -1.19 -4.88 120.40 121.48 1wm4 s VAL 86 Ca 0.55 -1.19 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 1wm4 s VAL 86 Cb 0.44 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1wm4 s VAL 86 CO 0.02 -0.32 0.03 -1.20 0.00 0.00 0.00 175.10 173.63 1wm4 n SER 87 N -1.32 0.04 0.14 3.32 7.64 -1.26 -4.99 113.62 117.19 1wm4 n SER 87 Ca -0.08 -1.03 0.12 0.00 1.01 0.00 0.00 58.87 58.89 1wm4 n SER 87 Cb 0.58 -0.02 0.17 0.00 -1.01 0.00 0.00 64.21 63.93 1wm4 n SER 87 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1wm4 h GLY 88 N -0.02 0.00 0.00 0.23 0.00 -2.01 -3.38 103.07 97.89 1wm4 h GLY 88 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1wm4 h GLY 88 CO 0.01 0.00 -0.01 1.41 0.00 0.00 0.00 176.54 177.95 1wm4 h LEU 89 N 0.00 -0.03 -1.61 3.11 3.38 -2.01 -0.11 115.31 118.04 1wm4 h LEU 89 Ca 0.00 0.00 0.40 0.00 0.09 0.00 0.00 57.88 58.37 1wm4 h LEU 89 Cb 0.91 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.57 1wm4 h LEU 89 CO 0.00 -0.01 0.90 1.56 0.09 0.00 0.00 178.44 180.97 1wm4 h GLN 90 N -0.02 0.12 -0.36 1.13 7.50 -1.96 -0.12 115.11 121.41 1wm4 h GLN 90 Ca -0.00 -0.01 0.04 0.00 0.50 0.00 0.00 58.65 59.18 1wm4 h GLN 90 Cb 0.02 -0.03 -0.07 0.00 0.05 0.00 0.00 27.48 27.45 1wm4 h GLN 90 CO -0.01 0.08 -0.47 -0.09 -1.50 0.00 0.00 178.83 176.85 1wm4 h ARG 91 N 0.12 -0.31 0.13 1.46 9.65 -1.18 1.38 114.38 125.64 1wm4 h ARG 91 Ca 0.73 0.02 -0.28 0.00 -1.10 0.00 0.00 59.98 59.35 1wm4 h ARG 91 Cb 2.45 0.07 0.02 0.00 -1.39 0.00 0.00 29.97 31.12 1wm4 h ARG 91 CO -0.25 -0.21 -1.24 0.00 2.80 0.00 0.00 179.97 181.08 1wm4 h ALA 92 N -0.24 0.07 0.29 2.80 0.00 -1.09 -3.09 119.26 118.00 1wm4 h ALA 92 Ca 0.06 -0.82 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 1wm4 h ALA 92 Cb 0.49 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1wm4 h ALA 92 CO -0.51 0.82 -0.14 0.87 0.00 0.00 0.00 179.25 180.30 1wm4 h LYS 93 N 0.17 -0.37 -0.99 0.00 6.56 -0.55 -2.90 116.57 118.49 1wm4 h LYS 93 Ca -0.16 0.03 0.31 0.00 -1.06 0.00 0.00 60.65 59.77 1wm4 h LYS 93 Cb 1.92 0.08 -0.15 0.00 -0.57 0.00 0.00 32.23 33.52 1wm4 h LYS 93 CO 0.22 -0.25 0.52 1.15 -2.06 0.00 0.00 179.45 179.03 1wm4 h THR 94 N -0.47 0.29 -0.03 -0.16 2.02 0.17 0.58 112.91 115.30 1wm4 h THR 94 Ca -0.04 -0.10 0.03 0.00 0.77 0.00 0.00 66.41 67.07 1wm4 h THR 94 Cb 0.30 -0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 66.61 1wm4 h THR 94 CO 0.06 0.06 -0.42 1.23 0.37 0.00 0.00 175.52 176.82 1wm4 h GLY 95 N 0.30 -0.75 0.71 2.16 0.00 -1.44 1.50 103.07 105.54 1wm4 h GLY 95 Ca 0.71 0.51 -0.03 0.00 0.00 0.00 0.00 47.33 48.53 1wm4 h GLY 95 CO -0.62 -0.24 -0.04 -0.91 0.00 0.00 0.00 176.54 174.73 1wm4 h THR 96 N -0.55 1.31 -0.18 4.70 1.35 -0.74 -3.01 112.91 115.78 1wm4 h THR 96 Ca 0.05 -1.02 -0.07 0.00 -0.55 0.00 0.00 66.41 64.82 1wm4 h THR 96 Cb 0.64 1.77 -0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1wm4 h THR 96 CO -0.34 0.29 -0.17 -0.78 -0.25 0.00 0.00 175.52 174.27 1wm4 h ASP 97 N -0.14 0.47 -0.20 5.36 1.82 -0.98 -2.64 116.42 120.12 1wm4 h ASP 97 Ca 0.02 -0.47 0.06 0.00 -0.39 0.00 0.00 57.03 56.25 1wm4 h ASP 97 Cb 0.47 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 1wm4 h ASP 97 CO 0.01 0.85 0.27 0.07 -1.61 0.00 0.00 179.24 178.83 1wm4 h LYS 98 N 0.10 0.00 0.02 0.28 5.09 0.20 -0.12 116.57 122.14 1wm4 h LYS 98 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.77 1wm4 h LYS 98 Cb 0.71 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.04 1wm4 h LYS 98 CO 0.04 0.00 -0.01 1.15 -2.09 0.00 0.00 179.45 178.55 1wm4 h THR 99 N 0.00 1.26 -0.16 0.07 2.02 -1.33 -2.81 112.91 111.96 1wm4 h THR 99 Ca 0.09 -0.84 0.05 0.00 0.77 0.00 0.00 66.41 66.49 1wm4 h THR 99 Cb 0.64 1.82 -0.07 0.00 -1.74 0.00 0.00 68.15 68.81 1wm4 h THR 99 CO -0.00 0.22 -0.31 -0.07 0.37 0.00 0.00 175.52 175.73 1wm4 h LEU 100 N -0.38 -0.96 0.00 2.58 4.07 -0.99 0.16 115.31 119.79 1wm4 h LEU 100 Ca -0.00 0.15 0.00 0.00 0.08 0.00 0.00 57.88 58.10 1wm4 h LEU 100 Cb 0.37 0.42 0.00 0.00 1.08 0.00 0.00 40.66 42.53 1wm4 h LEU 100 CO 0.00 -0.34 0.00 0.52 -1.08 0.00 0.00 178.44 177.54 1wm4 n VAL 101 N -5.40 0.00 -0.30 1.22 0.31 -1.10 0.12 118.33 113.18 1wm4 n VAL 101 Ca -0.03 1.28 0.06 0.00 -0.01 0.00 0.00 64.34 65.65 1wm4 n VAL 101 Cb 0.32 -2.01 0.15 0.00 -0.91 0.00 0.00 33.84 31.39 1wm4 n VAL 101 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1wm4 h LYS 102 N 0.00 0.02 0.54 5.55 1.57 -1.41 -0.29 116.57 122.55 1wm4 h LYS 102 Ca 0.00 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1wm4 h LYS 102 Cb 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1wm4 h LYS 102 CO 0.00 0.01 -0.38 0.93 -0.57 0.00 0.00 179.45 179.45 1wm4 h GLU 103 N 0.02 -0.86 -2.01 3.15 5.08 0.02 -2.15 114.58 117.83 1wm4 h GLU 103 Ca 0.44 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.85 1wm4 h GLU 103 Cb 0.75 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 1wm4 h GLU 103 CO -0.85 -0.57 -0.01 0.28 -1.00 0.00 0.00 179.01 176.86 1wm4 n VAL 104 N -5.50 1.59 -3.67 3.13 0.31 0.33 -4.65 118.33 109.87 1wm4 n VAL 104 Ca -0.12 -0.43 -0.25 0.00 -0.01 0.00 0.00 64.34 63.54 1wm4 n VAL 104 Cb 0.40 -1.41 -0.17 0.00 -0.91 0.00 0.00 33.84 31.74 1wm4 n VAL 104 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1wm4 s VAL 105 N 0.49 0.10 0.00 2.52 1.01 -0.81 -4.93 120.40 118.78 1wm4 s VAL 105 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1wm4 s VAL 105 Cb 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.80 1wm4 s VAL 105 CO 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 175.10 174.98 1wm4 n GLN 106 N 5.22 3.08 -0.02 2.72 3.00 -1.26 -4.74 117.38 125.38 1wm4 n GLN 106 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 1wm4 n GLN 106 Cb 0.49 -0.90 0.00 0.00 0.00 0.00 0.00 30.24 29.83 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 -1.70 0.26 -2.65 1.08 4.13 -1.26 -4.62 115.26 110.50 1wm4 n ASN 107 Ca 0.00 -0.65 -0.12 0.00 1.68 0.00 0.00 54.58 55.49 1wm4 n ASN 107 Cb 0.40 -0.05 -0.02 0.00 -1.54 0.00 0.00 39.78 38.56 1wm4 n ASN 107 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 1wm4 n PHE 108 N 1.52 -1.37 -0.06 3.10 -1.74 -1.26 -4.87 117.46 112.78 1wm4 n PHE 108 Ca 0.00 -1.93 -0.05 0.00 -0.56 0.00 0.00 57.45 54.91 1wm4 n PHE 108 Cb 0.03 0.49 -0.02 0.00 1.52 0.00 0.00 39.48 41.51 1wm4 n PHE 108 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1wm4 n ALA 109 N -1.06 0.44 -2.83 1.98 0.00 0.09 -4.95 120.51 114.18 1wm4 n ALA 109 Ca -0.12 -0.46 -0.12 0.00 0.00 0.00 0.00 53.44 52.74 1wm4 n ALA 109 Cb 0.49 0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.08 1.64 0.17 0.00 2.20 -1.26 -5.09 119.74 115.31 1wm4 s LYS 110 Ca -0.15 -1.57 0.05 0.00 -0.36 0.00 0.00 55.97 53.94 1wm4 s LYS 110 Cb 0.02 0.41 -0.04 0.00 -1.51 0.00 0.00 37.83 36.72 1wm4 s LYS 110 CO 0.22 -0.66 0.17 -1.83 -0.36 0.00 0.00 175.35 172.89 1wm4 s GLU 111 N -3.62 3.00 0.05 4.03 4.04 -1.26 -3.61 118.70 121.34 1wm4 s GLU 111 Ca 0.30 -0.84 0.02 0.00 0.04 0.00 0.00 54.97 54.50 1wm4 s GLU 111 Cb 0.01 -2.70 -0.03 0.00 0.02 0.00 0.00 34.13 31.44 1wm4 s GLU 111 CO 0.15 0.48 -0.08 -0.06 -1.84 0.00 0.00 175.26 173.91 1wm4 s PHE 112 N -1.78 0.74 0.07 4.83 0.08 -0.46 -4.91 117.98 116.54 1wm4 s PHE 112 Ca 0.32 -0.52 0.08 0.00 0.12 0.00 0.00 56.93 56.92 1wm4 s PHE 112 Cb -0.10 -0.44 -0.04 0.00 -0.57 0.00 0.00 43.02 41.88 1wm4 s PHE 112 CO 0.24 -0.07 -0.18 0.54 -0.10 0.00 0.00 175.22 175.65 1wm4 s VAL 113 N -1.52 2.80 0.05 -0.44 0.11 -1.26 -2.31 120.40 117.83 1wm4 s VAL 113 Ca -0.08 -1.33 0.00 0.00 -2.93 0.00 0.00 61.98 57.65 1wm4 s VAL 113 Cb -0.09 -2.22 -0.03 0.00 -1.53 0.00 0.00 36.38 32.50 1wm4 s VAL 113 CO 0.00 0.23 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.33 1wm4 s ILE 114 N -1.02 0.35 0.00 7.04 -1.09 -1.07 -4.84 121.20 120.57 1wm4 s ILE 114 Ca 0.16 -1.55 0.00 0.00 -2.23 0.00 0.00 60.65 57.03 1wm4 s ILE 114 Cb -0.11 -1.17 0.00 0.00 -1.58 0.00 0.00 42.46 39.61 1wm4 s ILE 114 CO 0.07 -0.78 0.29 -0.24 -1.23 0.00 0.00 174.94 173.05 1wm4 n SER 115 N 0.57 0.00 -3.75 3.58 2.88 -1.26 -3.70 113.62 111.93 1wm4 n SER 115 Ca -0.17 -1.00 -0.11 0.00 -1.33 0.00 0.00 58.87 56.26 1wm4 n SER 115 Cb 0.59 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.98 1wm4 n SER 115 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wm4 s ASP 116 N 0.00 -0.13 0.19 -3.46 2.15 -1.26 -4.90 116.67 109.26 1wm4 s ASP 116 Ca 0.00 -0.21 0.10 0.00 0.43 0.00 0.00 52.55 52.87 1wm4 s ASP 116 Cb 0.00 0.37 -0.05 0.00 -0.30 0.00 0.00 42.92 42.94 1wm4 s ASP 116 CO 0.00 -0.63 1.37 0.08 -0.17 0.00 0.00 175.17 175.82 1wm4 h ARG 117 N 3.15 0.00 0.00 4.34 0.11 -1.98 -3.08 114.38 116.92 1wm4 h ARG 117 Ca -0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.76 1wm4 h ARG 117 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1wm4 h ARG 117 CO 0.46 0.80 0.00 1.63 0.10 0.00 0.00 179.97 182.96 1wm4 n LYS 118 N -3.36 0.22 -0.06 0.08 4.76 -1.26 -2.27 118.16 116.28 1wm4 n LYS 118 Ca 0.00 0.34 0.10 0.00 -2.87 0.00 0.00 58.31 55.88 1wm4 n LYS 118 Cb 0.84 -1.85 0.41 0.00 -1.84 0.00 0.00 35.03 32.59 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 -2.26 1.49 -0.76 1.97 4.71 -1.16 -3.66 120.64 120.97 1wm4 n GLU 119 Ca 0.03 -0.73 -0.02 0.00 -0.01 0.00 0.00 57.16 56.43 1wm4 n GLU 119 Cb 0.31 -1.35 0.20 0.00 -1.01 0.00 0.00 31.44 29.60 1wm4 n GLU 119 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1wm4 n LEU 120 N -0.04 3.87 -4.76 -4.62 4.77 -0.96 -4.61 117.00 110.65 1wm4 n LEU 120 Ca 0.15 -3.78 -0.39 0.00 -0.03 0.00 0.00 56.01 51.96 1wm4 n LEU 120 Cb 0.24 -0.62 -0.05 0.00 -2.33 0.00 0.00 43.42 40.66 1wm4 n LEU 120 CO 0.12 1.27 0.72 -1.61 -1.33 0.00 0.00 177.39 176.56 1wm4 s GLU 121 N -3.24 4.60 0.24 3.23 0.41 -1.24 -4.82 118.70 117.88 1wm4 s GLU 121 Ca 0.43 1.59 -0.14 0.00 -0.41 0.00 0.00 54.97 56.44 1wm4 s GLU 121 Cb 0.40 -3.03 0.30 0.00 -1.78 0.00 0.00 34.13 30.02 1wm4 s GLU 121 CO -0.01 0.23 1.56 0.93 -0.49 0.00 0.00 175.26 177.48 1wm4 h GLU 122 N 3.55 -0.02 0.00 1.61 5.08 -1.95 2.21 114.58 125.06 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 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1wm4 h GLU 122 CO 0.66 -0.01 0.00 -3.47 -1.00 0.00 0.00 179.01 175.19 1wm4 n ASP 123 N -5.52 0.12 -0.07 1.42 2.03 -1.26 -1.01 116.55 112.26 1wm4 n ASP 123 Ca 0.11 0.54 -0.20 0.00 0.52 0.00 0.00 54.79 55.76 1wm4 n ASP 123 Cb 0.42 -0.56 -0.12 0.00 -0.72 0.00 0.00 41.12 40.14 1wm4 n ASP 123 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1wm4 h PHE 124 N 0.00 0.08 0.00 -0.67 3.04 0.33 -3.14 116.94 116.58 1wm4 h PHE 124 Ca 0.00 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 61.88 1wm4 h PHE 124 Cb 0.17 -0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.67 1wm4 h PHE 124 CO 0.00 1.36 -0.05 0.82 -2.02 0.00 0.00 178.31 178.43 1wm4 h ILE 125 N -0.87 0.09 0.11 1.41 1.08 -1.19 -2.69 117.51 115.46 1wm4 h ILE 125 Ca -0.24 -0.92 -0.01 0.00 -0.39 0.00 0.00 64.86 63.30 1wm4 h ILE 125 Cb 1.30 1.85 0.00 0.00 -3.07 0.00 0.00 36.82 36.91 1wm4 h ILE 125 CO -0.10 0.04 -0.05 -0.09 -0.69 0.00 0.00 178.15 177.26 1wm4 h ARG 126 N 0.00 -0.15 0.00 2.37 2.43 -1.20 -2.84 114.38 114.99 1wm4 h ARG 126 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1wm4 h ARG 126 Cb 0.85 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1wm4 h ARG 126 CO 0.01 0.35 0.00 1.03 -1.51 0.00 0.00 179.97 179.84 1wm4 h SER 127 N -0.82 0.00 -0.16 -3.80 0.87 -1.59 -2.44 113.55 105.62 1wm4 h SER 127 Ca -0.02 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.40 1wm4 h SER 127 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1wm4 h SER 127 CO 0.03 0.00 -0.46 -0.33 -0.53 0.00 0.00 176.83 175.54 1wm4 h GLU 128 N 0.00 0.59 -0.38 2.24 4.39 -1.39 -3.09 114.58 116.93 1wm4 h GLU 128 Ca 0.00 -0.42 -0.09 0.00 0.34 0.00 0.00 59.36 59.19 1wm4 h GLU 128 Cb 0.26 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1wm4 h GLU 128 CO 0.00 1.04 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.68 1wm4 h LEU 129 N 0.24 0.68 0.00 1.33 3.38 -1.20 -0.60 115.31 119.14 1wm4 h LEU 129 Ca -0.01 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1wm4 h LEU 129 Cb 1.08 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1wm4 h LEU 129 CO 0.10 0.84 0.05 0.29 0.09 0.00 0.00 178.44 179.81 1wm4 n LYS 130 N -4.16 0.00 -2.41 1.13 4.01 -1.06 -4.83 118.16 110.84 1wm4 n LYS 130 Ca 0.01 0.18 -0.03 0.00 -0.51 0.00 0.00 58.31 57.96 1wm4 n LYS 130 Cb 0.37 -1.55 -0.03 0.00 -0.51 0.00 0.00 35.03 33.31 1wm4 n LYS 130 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1wm4 n LYS 131 N -1.12 -4.62 -1.19 1.97 4.81 -0.23 -5.01 118.16 112.77 1wm4 n LYS 131 Ca 0.00 3.44 -0.06 0.00 -0.87 0.00 0.00 58.31 60.82 1wm4 n LYS 131 Cb 0.05 -4.69 -0.05 0.00 0.02 0.00 0.00 35.03 30.36 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 1.67 3.67 0.02 3.14 0.00 -1.26 -5.02 120.51 122.73 1wm4 n ALA 132 Ca -0.23 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1wm4 n ALA 132 Cb 0.35 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.17 -0.32 0.41 0.00 0.00 -1.26 -5.10 105.19 98.75 1wm4 n GLY 133 Ca -0.27 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 1.31 -3.46 2.34 -0.02 0.00 -1.26 -4.99 105.19 99.11 1wm4 n GLY 134 Ca 0.00 -1.01 -0.19 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.84 1.40 -2.89 4.61 0.00 -1.26 -5.04 120.51 116.49 1wm4 n ALA 135 Ca 0.00 -2.87 -0.02 0.00 0.00 0.00 0.00 53.44 50.55 1wm4 n ALA 135 Cb 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 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 1.34 -5.12 0.00 0.00 5.03 -1.26 -4.97 115.26 110.28 1wm4 n ASN 136 Ca 0.18 1.07 0.00 0.00 0.87 0.00 0.00 54.58 56.70 1wm4 n ASN 136 Cb 0.57 -3.31 0.00 0.00 -1.02 0.00 0.00 39.78 36.02 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 1.81 0.00 -2.80 3.10 4.19 -1.26 -4.93 117.16 117.27 1wm4 n TYR 137 Ca -0.14 0.00 -0.01 0.00 3.31 0.00 0.00 57.90 61.06 1wm4 n TYR 137 Cb 0.30 0.00 0.06 0.00 0.49 0.00 0.00 39.34 40.19 1wm4 n TYR 137 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 1wm4 n ASP 138 N -1.08 1.01 -2.39 2.98 2.03 -1.26 -4.88 116.55 112.96 1wm4 n ASP 138 Ca 0.00 -2.10 -0.01 0.00 0.52 0.00 0.00 54.79 53.20 1wm4 n ASP 138 Cb 0.00 -0.27 0.06 0.00 -0.72 0.00 0.00 41.12 40.19 1wm4 n ASP 138 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wm4 n ALA 139 N -0.73 2.82 -2.05 -1.67 0.00 -1.26 -5.07 120.51 112.56 1wm4 n ALA 139 Ca 0.03 -1.80 -0.39 0.00 0.00 0.00 0.00 53.44 51.28 1wm4 n ALA 139 Cb 0.82 -0.77 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 1wm4 n ALA 139 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1wm4 s GLN 140 N -1.41 2.72 0.13 0.00 -0.21 -1.26 -4.79 119.66 114.84 1wm4 s GLN 140 Ca 0.18 0.69 0.22 0.00 0.02 0.00 0.00 55.36 56.47 1wm4 s GLN 140 Cb 0.34 -4.36 0.89 0.00 1.00 0.00 0.00 33.01 30.88 1wm4 s GLN 140 CO -0.08 -2.62 1.69 0.43 -2.12 0.00 0.00 175.29 172.58 1wm4 n SER 141 N 12.43 0.40 0.00 5.90 7.64 -1.26 -5.20 113.62 133.53 1wm4 n SER 141 Ca 0.20 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.66 1wm4 n SER 141 Cb 0.51 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1wm4 n SER 141 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24