#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 -1.96 -2.91 3.04 0.00 -1.26 -5.01 120.51 112.40 1wm4 n ALA 2 Ca 0.00 0.48 -0.11 0.00 0.00 0.00 0.00 53.44 53.81 1wm4 n ALA 2 Cb 0.00 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 17.87 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 -4.44 0.21 -0.09 0.00 2.01 -1.26 -4.95 115.64 107.12 1wm4 s THR 3 Ca 0.00 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.28 1wm4 s THR 3 Cb 0.00 -0.30 0.03 0.00 0.01 0.00 0.00 72.50 72.25 1wm4 s THR 3 CO 0.00 -0.32 0.01 -0.54 -0.69 0.00 0.00 174.62 173.08 1wm4 s LYS 4 N -1.08 0.64 -0.06 4.92 1.02 -1.25 -5.06 119.74 118.86 1wm4 s LYS 4 Ca -0.10 0.01 -0.01 0.00 0.02 0.00 0.00 55.97 55.90 1wm4 s LYS 4 Cb -0.07 -1.18 -0.03 0.00 -0.52 0.00 0.00 37.83 36.02 1wm4 s LYS 4 CO -0.00 -0.36 -0.01 -1.50 -0.92 0.00 0.00 175.35 172.56 1wm4 s ILE 5 N 1.95 4.17 -1.07 2.17 2.07 -1.26 -0.93 121.20 128.30 1wm4 s ILE 5 Ca 0.04 -0.38 -0.04 0.00 -1.41 0.00 0.00 60.65 58.87 1wm4 s ILE 5 Cb -0.13 -2.77 0.31 0.00 0.13 0.00 0.00 42.46 39.99 1wm4 s ILE 5 CO -0.06 0.54 1.46 -0.67 -1.91 0.00 0.00 174.94 174.31 1wm4 n ASP 6 N 1.96 6.35 0.28 4.50 -0.08 -1.20 -4.79 116.55 123.57 1wm4 n ASP 6 Ca -0.17 -3.42 0.17 0.00 -1.51 0.00 0.00 54.79 49.86 1wm4 n ASP 6 Cb 0.53 -1.25 0.93 0.00 2.34 0.00 0.00 41.12 43.68 1wm4 n ASP 6 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1wm4 h LYS 7 N 5.39 0.00 -0.61 -0.67 6.56 -1.96 -2.07 116.57 123.22 1wm4 h LYS 7 Ca 0.20 0.00 0.10 0.00 -1.06 0.00 0.00 60.65 59.89 1wm4 h LYS 7 Cb 0.61 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 32.20 1wm4 h LYS 7 CO 1.32 0.00 0.19 1.49 -2.06 0.00 0.00 179.45 180.39 1wm4 h GLU 8 N 0.00 0.34 0.19 3.15 4.22 -1.99 0.19 114.58 120.68 1wm4 h GLU 8 Ca 0.02 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1wm4 h GLU 8 Cb 0.14 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1wm4 h GLU 8 CO -0.00 0.23 -0.09 0.00 -2.18 0.00 0.00 179.01 176.96 1wm4 h ALA 9 N 1.45 -0.80 -0.36 2.92 0.00 -1.79 -1.62 119.26 119.05 1wm4 h ALA 9 Ca 0.31 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1wm4 h ALA 9 Cb 0.42 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1wm4 h ALA 9 CO -0.35 -0.78 -0.40 0.00 0.00 0.00 0.00 179.25 177.73 1wm4 h ARG 11 N -0.23 -0.19 -0.07 0.00 2.43 -0.72 2.16 114.38 117.76 1wm4 h ARG 11 Ca 0.06 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1wm4 h ARG 11 Cb 0.39 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.93 1wm4 h ARG 11 CO -0.46 -0.13 -0.30 0.00 -1.51 0.00 0.00 179.97 177.57 1wm4 h ALA 12 N 0.71 -0.38 -0.37 2.80 0.00 -0.18 -1.89 119.26 119.94 1wm4 h ALA 12 Ca 0.20 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1wm4 h ALA 12 Cb 0.56 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1wm4 h ALA 12 CO -0.72 -0.79 -0.03 0.00 0.00 0.00 0.00 179.25 177.71 1wm4 h ALA 13 N 0.40 0.50 -0.48 0.00 0.00 0.87 -0.21 119.26 120.34 1wm4 h ALA 13 Ca 0.08 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.81 1wm4 h ALA 13 Cb 0.53 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 1wm4 h ALA 13 CO -0.30 0.30 -0.37 1.88 0.00 0.00 0.00 179.25 180.76 1wm4 h TYR 14 N 0.48 -1.05 0.00 0.00 -1.99 0.40 -1.36 116.97 113.44 1wm4 h TYR 14 Ca 0.10 0.07 -0.17 0.00 2.00 0.00 0.00 58.73 60.73 1wm4 h TYR 14 Cb 0.51 0.53 -0.02 0.00 2.00 0.00 0.00 36.73 39.75 1wm4 h TYR 14 CO 0.04 -0.40 -0.80 -0.91 -0.00 0.00 0.00 178.16 176.09 1wm4 h ASN 15 N -0.24 0.00 0.00 3.88 -0.26 -1.35 -3.16 115.58 114.44 1wm4 h ASN 15 Ca 0.18 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 1wm4 h ASN 15 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.82 1wm4 h ASN 15 CO -0.61 0.80 0.17 0.25 -1.06 0.00 0.00 177.43 176.98 1wm4 h LEU 16 N 0.00 0.00 0.00 1.61 5.85 0.11 0.53 115.31 123.41 1wm4 h LEU 16 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1wm4 h LEU 16 Cb 1.56 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.59 1wm4 h LEU 16 CO 0.10 0.00 0.00 1.33 -0.34 0.00 0.00 178.44 179.53 1wm4 n VAL 17 N -2.87 0.07 1.30 1.05 0.24 -1.01 -3.25 118.33 113.86 1wm4 n VAL 17 Ca -0.02 0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1wm4 n VAL 17 Cb 0.22 -0.58 0.00 0.00 -1.47 0.00 0.00 33.84 32.02 1wm4 n VAL 17 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1wm4 n ARG 18 N -1.14 0.89 0.00 7.34 1.74 0.19 -4.72 116.66 120.95 1wm4 n ARG 18 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1wm4 n ARG 18 Cb 0.15 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1wm4 n ARG 18 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wm4 n ASP 19 N -0.20 0.00 -2.83 0.55 -0.08 -1.20 -4.98 116.55 107.81 1wm4 n ASP 19 Ca 0.00 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.90 1wm4 n ASP 19 Cb 0.12 0.00 0.04 0.00 2.34 0.00 0.00 41.12 43.62 1wm4 n ASP 19 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1wm4 n ASP 20 N 0.00 7.31 -2.11 1.67 2.03 -1.26 -4.80 116.55 119.38 1wm4 n ASP 20 Ca 0.00 -3.83 -0.06 0.00 0.52 0.00 0.00 54.79 51.43 1wm4 n ASP 20 Cb 0.00 -1.01 0.03 0.00 -0.72 0.00 0.00 41.12 39.42 1wm4 n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wm4 n GLY 21 N -0.57 0.13 0.00 0.27 0.00 -1.26 -4.97 105.19 98.78 1wm4 n GLY 21 Ca 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 -2.08 0.83 -0.34 1.61 7.64 -1.26 -5.08 113.62 114.94 1wm4 n SER 22 Ca -0.05 -1.35 0.00 0.00 1.01 0.00 0.00 58.87 58.49 1wm4 n SER 22 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 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 -0.17 0.00 -2.59 -0.43 0.00 -1.26 -5.10 120.51 110.95 1wm4 n ALA 23 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1wm4 n ALA 23 Cb 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.74 1wm4 n ALA 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1wm4 s VAL 24 N -0.14 4.57 0.44 0.00 -7.23 -1.26 -4.89 120.40 111.89 1wm4 s VAL 24 Ca 0.00 1.88 0.22 0.00 -1.81 0.00 0.00 61.98 62.27 1wm4 s VAL 24 Cb 0.00 -4.21 0.42 0.00 0.56 0.00 0.00 36.38 33.16 1wm4 s VAL 24 CO 0.00 -0.08 1.81 -0.29 -0.31 0.00 0.00 175.10 176.24 1wm4 h ILE 25 N 5.25 0.55 -2.91 -0.62 2.10 -1.48 -3.44 117.51 116.96 1wm4 h ILE 25 Ca -0.27 -0.10 0.07 0.00 1.08 0.00 0.00 64.86 65.64 1wm4 h ILE 25 Cb 1.12 0.24 -0.04 0.00 -1.09 0.00 0.00 36.82 37.04 1wm4 h ILE 25 CO 0.92 0.05 0.27 -1.66 -1.08 0.00 0.00 178.15 176.65 1wm4 s TRP 26 N -5.33 -0.13 0.01 2.19 1.48 -1.23 -3.70 118.94 112.23 1wm4 s TRP 26 Ca -0.08 -0.35 0.01 0.00 -1.06 0.00 0.00 56.10 54.63 1wm4 s TRP 26 Cb 0.24 0.72 -0.01 0.00 -1.16 0.00 0.00 33.47 33.26 1wm4 s TRP 26 CO 0.79 -1.24 -0.05 0.14 -4.06 0.00 0.00 176.95 172.54 1wm4 s VAL 27 N -3.56 0.35 -0.03 -0.66 -7.23 -1.25 -3.74 120.40 104.28 1wm4 s VAL 27 Ca 0.12 -0.48 0.02 0.00 -1.81 0.00 0.00 61.98 59.83 1wm4 s VAL 27 Cb -0.05 -0.36 0.01 0.00 0.56 0.00 0.00 36.38 36.54 1wm4 s VAL 27 CO 0.07 -0.09 -0.08 0.42 -0.31 0.00 0.00 175.10 175.11 1wm4 s THR 28 N -0.56 0.75 0.16 5.32 -4.23 -1.22 -3.80 115.64 112.06 1wm4 s THR 28 Ca -0.03 -0.33 0.09 0.00 -1.18 0.00 0.00 61.69 60.24 1wm4 s THR 28 Cb -0.05 -0.69 -0.04 0.00 1.34 0.00 0.00 72.50 73.07 1wm4 s THR 28 CO -0.00 0.24 -0.20 0.72 -0.54 0.00 0.00 174.62 174.84 1wm4 s PHE 29 N 0.32 1.95 0.07 3.99 -0.71 -1.26 -0.24 117.98 122.10 1wm4 s PHE 29 Ca -0.05 -0.43 0.05 0.00 -1.04 0.00 0.00 56.93 55.46 1wm4 s PHE 29 Cb -0.10 -0.99 -0.03 0.00 -1.21 0.00 0.00 43.02 40.70 1wm4 s PHE 29 CO 0.01 0.35 -0.13 -0.98 -1.34 0.00 0.00 175.22 173.13 1wm4 s ARG 30 N -2.60 0.77 -0.63 1.99 1.70 -0.95 -4.05 118.95 115.17 1wm4 s ARG 30 Ca 0.15 -0.93 -0.27 0.00 -0.47 0.00 0.00 55.73 54.22 1wm4 s ARG 30 Cb -0.07 -0.72 -0.11 0.00 -0.57 0.00 0.00 34.95 33.48 1wm4 s ARG 30 CO 0.07 0.16 2.48 0.66 -1.08 0.00 0.00 175.30 177.59 1wm4 n TYR 31 N 1.29 1.19 -3.09 5.89 4.01 -1.26 -3.39 117.16 121.80 1wm4 n TYR 31 Ca -0.21 0.17 -0.44 0.00 -0.16 0.00 0.00 57.90 57.25 1wm4 n TYR 31 Cb 0.54 -2.54 -0.05 0.00 -0.31 0.00 0.00 39.34 36.98 1wm4 n TYR 31 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1wm4 s ASP 32 N 11.25 6.19 1.73 7.72 -1.08 0.23 -4.89 116.67 137.82 1wm4 s ASP 32 Ca 1.07 -1.28 0.00 0.00 -0.52 0.00 0.00 52.55 51.82 1wm4 s ASP 32 Cb -0.43 -2.31 0.00 0.00 -1.46 0.00 0.00 42.92 38.72 1wm4 s ASP 32 CO 0.31 -1.11 0.00 0.61 0.52 0.00 0.00 175.17 175.50 1wm4 n GLY 33 N 5.27 3.17 1.42 2.66 0.00 -1.26 -1.81 105.19 114.64 1wm4 n GLY 33 Ca -0.08 0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 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 11.17 4.16 -3.12 4.61 0.00 -1.26 -4.96 120.51 131.11 1wm4 n ALA 34 Ca 0.00 -2.69 -0.11 0.00 0.00 0.00 0.00 53.44 50.64 1wm4 n ALA 34 Cb 0.00 -0.94 -0.10 0.00 0.00 0.00 0.00 19.45 18.41 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 -3.08 0.08 -0.40 0.00 2.01 -0.75 -3.78 115.64 109.73 1wm4 s THR 35 Ca 0.48 -0.67 -0.11 0.00 0.31 0.00 0.00 61.69 61.69 1wm4 s THR 35 Cb 0.41 -0.48 0.04 0.00 0.01 0.00 0.00 72.50 72.48 1wm4 s THR 35 CO 0.07 -0.37 0.24 -0.63 -0.69 0.00 0.00 174.62 173.24 1wm4 s ILE 36 N -1.43 4.62 0.09 1.82 1.01 -0.11 0.76 121.20 127.97 1wm4 s ILE 36 Ca -0.14 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.54 1wm4 s ILE 36 Cb -0.07 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1wm4 s ILE 36 CO 0.02 -0.34 -0.07 0.68 0.00 0.00 0.00 174.94 175.23 1wm4 s VAL 37 N 1.54 0.71 0.14 2.92 -7.23 -1.22 -3.24 120.40 114.03 1wm4 s VAL 37 Ca 0.02 -1.84 -0.13 0.00 -1.81 0.00 0.00 61.98 58.23 1wm4 s VAL 37 Cb -0.21 -1.57 -0.08 0.00 0.56 0.00 0.00 36.38 35.09 1wm4 s VAL 37 CO 0.06 -0.80 0.18 -2.65 -0.31 0.00 0.00 175.10 171.58 1wm4 n PRO 38 N 0.13 0.00 0.00 4.82 -0.02 -1.26 -2.23 135.00 136.44 1wm4 n PRO 38 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1wm4 n PRO 38 Cb 0.60 -0.50 0.00 0.00 -0.02 0.00 0.00 33.50 33.58 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 1.07 0.00 2.99 -1.23 0.00 0.67 -4.51 105.19 104.18 1wm4 n GLY 39 Ca 0.08 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.57 -0.83 -3.34 1.61 8.00 -0.58 -4.98 116.55 115.87 1wm4 n ASP 40 Ca 0.00 -2.93 -0.06 0.00 0.71 0.00 0.00 54.79 52.50 1wm4 n ASP 40 Cb 0.00 1.77 0.01 0.00 -0.02 0.00 0.00 41.12 42.88 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 -3.09 1.80 -0.28 -1.24 1.03 -1.26 -3.40 119.66 113.22 1wm4 s GLN 41 Ca 0.34 -1.11 -0.23 0.00 0.04 0.00 0.00 55.36 54.40 1wm4 s GLN 41 Cb 0.01 0.54 0.10 0.00 0.03 0.00 0.00 33.01 33.69 1wm4 s GLN 41 CO 0.24 -0.84 0.86 0.20 -2.54 0.00 0.00 175.29 173.22 1wm4 s GLY 42 N -3.09 -0.34 0.00 2.60 0.00 -1.25 -4.50 107.32 100.74 1wm4 s GLY 42 Ca 0.15 2.47 0.15 0.00 0.00 0.00 0.00 44.72 47.49 1wm4 s GLY 42 CO 0.08 1.98 0.86 0.00 0.00 0.00 0.00 173.10 176.03 1wm4 n ALA 43 N 2.88 2.94 -3.82 3.20 0.00 -1.26 -1.47 120.51 122.98 1wm4 n ALA 43 Ca -0.15 -0.55 -0.08 0.00 0.00 0.00 0.00 53.44 52.67 1wm4 n ALA 43 Cb 0.56 -0.53 0.02 0.00 0.00 0.00 0.00 19.45 19.50 1wm4 n ALA 43 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1wm4 s ASP 44 N -1.66 -0.03 0.03 0.00 2.15 -1.26 -4.47 116.67 111.42 1wm4 s ASP 44 Ca 0.14 -1.02 0.25 0.00 0.43 0.00 0.00 52.55 52.36 1wm4 s ASP 44 Cb 0.12 0.79 1.05 0.00 -0.30 0.00 0.00 42.92 44.59 1wm4 s ASP 44 CO 0.33 -1.56 1.80 0.00 -0.17 0.00 0.00 175.17 175.57 1wm4 n TYR 45 N -0.54 0.11 0.05 -5.34 9.36 -1.26 -3.28 117.16 116.27 1wm4 n TYR 45 Ca -0.07 0.03 -0.14 0.00 3.32 0.00 0.00 57.90 61.04 1wm4 n TYR 45 Cb 0.60 -0.56 -0.04 0.00 -0.63 0.00 0.00 39.34 38.71 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 0.50 0.29 2.98 1.08 -2.00 -3.28 115.11 114.68 1wm4 h GLN 46 Ca 0.00 -0.48 -0.01 0.00 -1.45 0.00 0.00 58.65 56.70 1wm4 h GLN 46 Cb 0.46 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1wm4 h GLN 46 CO 0.00 1.12 -0.14 1.25 -0.95 0.00 0.00 178.83 180.11 1wm4 h HIS 47 N 0.30 -0.36 -1.17 2.96 2.76 -1.90 -1.65 115.15 116.10 1wm4 h HIS 47 Ca -0.07 -0.01 0.34 0.00 -2.20 0.00 0.00 60.37 58.43 1wm4 h HIS 47 Cb 1.50 0.12 -0.05 0.00 1.55 0.00 0.00 27.41 30.54 1wm4 h HIS 47 CO 0.07 -0.13 0.98 0.27 -1.30 0.00 0.00 177.93 177.82 1wm4 h PHE 48 N -0.53 0.00 0.00 5.26 -5.15 -1.70 3.01 116.94 117.84 1wm4 h PHE 48 Ca -0.04 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.73 1wm4 h PHE 48 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.56 1wm4 h PHE 48 CO -0.02 0.00 -0.33 0.82 -2.00 0.00 0.00 178.31 176.78 1wm4 h ILE 49 N 0.00 0.00 0.00 0.88 2.04 -1.37 -2.70 117.51 116.36 1wm4 h ILE 49 Ca 0.55 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1wm4 h ILE 49 Cb 2.52 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 40.10 1wm4 h ILE 49 CO -0.01 0.00 -0.16 -0.61 0.00 0.00 0.00 178.15 177.37 1wm4 h GLN 50 N 0.00 0.00 0.00 2.37 4.15 0.59 -3.30 115.11 118.92 1wm4 h GLN 50 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1wm4 h GLN 50 Cb 0.85 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.54 1wm4 h GLN 50 CO 0.00 0.56 0.00 0.00 -1.93 0.00 0.00 178.83 177.46 1wm4 n GLN 51 N -4.66 0.10 -1.61 1.69 10.64 -0.92 -4.82 117.38 117.80 1wm4 n GLN 51 Ca -0.08 0.27 -0.59 0.00 -1.83 0.00 0.00 57.00 54.77 1wm4 n GLN 51 Cb 0.31 -1.66 -0.08 0.00 -0.86 0.00 0.00 30.24 27.95 1wm4 n GLN 51 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1wm4 s THR 53 N 1.31 -0.57 -1.74 0.00 -4.23 -1.26 -4.98 115.64 104.16 1wm4 s THR 53 Ca 0.94 -0.06 0.00 0.00 -1.18 0.00 0.00 61.69 61.39 1wm4 s THR 53 Cb -1.23 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 71.83 1wm4 s THR 53 CO 0.62 -0.12 0.42 -0.90 -0.54 0.00 0.00 174.62 174.10 1wm4 n ASP 54 N 5.36 0.00 -1.62 3.99 5.68 -1.26 -1.25 116.55 127.45 1wm4 n ASP 54 Ca -0.04 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.11 1wm4 n ASP 54 Cb 0.50 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.65 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 -0.92 3.50 -4.02 -1.12 2.03 -1.26 -1.26 116.55 113.50 1wm4 n ASP 55 Ca 0.00 -3.75 -0.10 0.00 0.52 0.00 0.00 54.79 51.46 1wm4 n ASP 55 Cb 0.00 -0.70 -0.07 0.00 -0.72 0.00 0.00 41.12 39.64 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 -3.54 0.02 -0.04 5.18 0.11 -0.38 -4.72 120.40 117.04 1wm4 s VAL 56 Ca 0.50 -1.49 -0.02 0.00 -2.93 0.00 0.00 61.98 58.04 1wm4 s VAL 56 Cb 0.44 -2.12 0.02 0.00 -1.53 0.00 0.00 36.38 33.18 1wm4 s VAL 56 CO 0.03 -0.10 0.08 0.00 -3.33 0.00 0.00 175.10 171.78 1wm4 s ARG 57 N -4.02 0.06 0.02 1.54 1.70 -1.26 -0.43 118.95 116.55 1wm4 s ARG 57 Ca 0.23 0.20 -0.29 0.00 -0.47 0.00 0.00 55.73 55.40 1wm4 s ARG 57 Cb 0.02 -0.09 0.11 0.00 -0.57 0.00 0.00 34.95 34.42 1wm4 s ARG 57 CO 0.06 -0.09 1.18 -0.48 -1.08 0.00 0.00 175.30 174.89 1wm4 s LEU 58 N 0.60 -0.11 0.27 -1.89 0.05 -0.36 -4.74 118.68 112.49 1wm4 s LEU 58 Ca -0.05 -0.20 0.08 0.00 0.05 0.00 0.00 54.13 54.02 1wm4 s LEU 58 Cb -0.06 1.63 -0.04 0.00 -2.05 0.00 0.00 46.19 45.66 1wm4 s LEU 58 CO -0.02 -0.48 0.13 -0.36 -0.55 0.00 0.00 176.35 175.07 1wm4 s PHE 59 N -2.69 2.93 0.04 3.48 0.08 -1.26 0.16 117.98 120.72 1wm4 s PHE 59 Ca 0.13 -0.18 -0.01 0.00 0.12 0.00 0.00 56.93 56.99 1wm4 s PHE 59 Cb 0.02 -1.36 -0.03 0.00 -0.57 0.00 0.00 43.02 41.08 1wm4 s PHE 59 CO -0.02 0.53 -0.01 0.00 -0.10 0.00 0.00 175.22 175.61 1wm4 s ALA 60 N -2.23 0.36 -0.26 5.36 0.00 -0.01 -4.10 121.76 120.88 1wm4 s ALA 60 Ca 0.33 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 1wm4 s ALA 60 Cb -0.07 0.25 0.13 0.00 0.00 0.00 0.00 23.12 23.43 1wm4 s ALA 60 CO 0.23 -0.32 0.32 0.12 0.00 0.00 0.00 175.76 176.11 1wm4 s PHE 61 N -3.27 -0.59 0.18 0.00 5.36 -1.25 -0.44 117.98 117.97 1wm4 s PHE 61 Ca 0.01 0.21 0.11 0.00 -0.96 0.00 0.00 56.93 56.30 1wm4 s PHE 61 Cb 0.03 -0.29 -0.04 0.00 -0.34 0.00 0.00 43.02 42.38 1wm4 s PHE 61 CO -0.08 -0.83 -0.25 0.54 -1.46 0.00 0.00 175.22 173.15 1wm4 s VAL 62 N 2.42 2.33 -0.48 3.12 0.11 -1.24 -3.88 120.40 122.78 1wm4 s VAL 62 Ca 0.10 -1.98 -0.23 0.00 -2.93 0.00 0.00 61.98 56.94 1wm4 s VAL 62 Cb -0.14 -2.10 0.03 0.00 -1.53 0.00 0.00 36.38 32.64 1wm4 s VAL 62 CO -0.25 -0.08 0.81 -0.60 -3.33 0.00 0.00 175.10 171.66 1wm4 s ARG 63 N -2.55 3.36 0.36 1.54 3.52 -1.24 -3.98 118.95 119.96 1wm4 s ARG 63 Ca 0.19 -0.21 -0.07 0.00 -0.13 0.00 0.00 55.73 55.52 1wm4 s ARG 63 Cb -0.08 -3.98 -0.05 0.00 -1.56 0.00 0.00 34.95 29.27 1wm4 s ARG 63 CO 0.09 -1.22 0.67 -0.06 -0.81 0.00 0.00 175.30 173.97 1wm4 s PHE 64 N 3.40 3.49 -0.09 5.12 0.08 -0.73 -4.85 117.98 124.40 1wm4 s PHE 64 Ca 0.29 0.81 -0.24 0.00 0.12 0.00 0.00 56.93 57.91 1wm4 s PHE 64 Cb -0.13 -2.26 -0.03 0.00 -0.57 0.00 0.00 43.02 40.03 1wm4 s PHE 64 CO 0.21 -0.00 0.73 -0.08 -0.10 0.00 0.00 175.22 175.97 1wm4 s THR 65 N -2.30 5.01 -0.03 0.64 -1.32 -1.26 0.36 115.64 116.74 1wm4 s THR 65 Ca 0.47 1.48 0.02 0.00 -1.21 0.00 0.00 61.69 62.45 1wm4 s THR 65 Cb -0.10 -4.06 0.01 0.00 -1.51 0.00 0.00 72.50 66.83 1wm4 s THR 65 CO 0.33 0.20 -0.07 -0.89 -2.21 0.00 0.00 174.62 171.98 1wm4 s THR 66 N 1.13 0.64 0.00 5.08 2.01 -1.26 -4.80 115.64 118.44 1wm4 s THR 66 Ca 0.37 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1wm4 s THR 66 Cb -0.17 -0.59 0.00 0.00 0.01 0.00 0.00 72.50 71.75 1wm4 s THR 66 CO 0.17 0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 1wm4 n GLY 67 N 3.42 0.84 2.97 4.40 0.00 -1.26 -4.36 105.19 111.21 1wm4 n GLY 67 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 1.67 -5.08 -4.85 1.61 8.00 -1.26 -4.92 116.55 111.72 1wm4 n ASP 68 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 1wm4 n ASP 68 Cb 0.00 -3.17 -0.05 0.00 -0.02 0.00 0.00 41.12 37.88 1wm4 n ASP 68 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wm4 s ALA 69 N -0.91 3.79 0.00 2.24 0.00 -1.26 -4.95 121.76 120.66 1wm4 s ALA 69 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1wm4 s ALA 69 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.49 1wm4 s ALA 69 CO 0.00 0.77 0.95 -1.33 0.00 0.00 0.00 175.76 176.16 1wm4 n MET 70 N 0.32 0.58 -0.13 0.00 2.81 -1.26 -3.50 117.12 115.94 1wm4 n MET 70 Ca -0.07 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.55 1wm4 n MET 70 Cb 0.51 -1.21 -0.10 0.00 -0.71 0.00 0.00 33.22 31.72 1wm4 n MET 70 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1wm4 n SER 71 N 1.34 1.88 0.00 7.83 7.64 -1.26 -5.01 113.62 126.04 1wm4 n SER 71 Ca 0.00 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1wm4 n SER 71 Cb 0.29 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 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 -4.06 0.00 -2.68 1.43 5.02 -1.23 -5.11 118.16 111.53 1wm4 n LYS 72 Ca -0.51 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 55.73 1wm4 n LYS 72 Cb 0.88 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.96 1wm4 n LYS 72 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1wm4 n ARG 73 N 0.00 0.26 -1.34 1.97 1.85 -1.26 -5.07 116.66 113.07 1wm4 n ARG 73 Ca 0.00 -0.90 0.15 0.00 -1.00 0.00 0.00 57.85 56.10 1wm4 n ARG 73 Cb 0.00 -0.46 -0.08 0.00 -1.05 0.00 0.00 32.46 30.87 1wm4 n ARG 73 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1wm4 n SER 74 N 1.46 -6.85 -4.82 2.89 2.88 -1.26 -4.89 113.62 103.03 1wm4 n SER 74 Ca 0.02 1.28 -0.26 0.00 -1.33 0.00 0.00 58.87 58.58 1wm4 n SER 74 Cb 0.70 -4.58 -0.05 0.00 -0.75 0.00 0.00 64.21 59.53 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 -4.45 2.98 -0.11 -1.46 2.47 0.16 -4.80 119.74 114.52 1wm4 s LYS 75 Ca 0.00 -0.83 0.00 0.00 -1.56 0.00 0.00 55.97 53.59 1wm4 s LYS 75 Cb 0.00 -2.69 0.02 0.00 -1.46 0.00 0.00 37.83 33.70 1wm4 s LYS 75 CO 0.00 0.49 -0.11 -0.06 0.16 0.00 0.00 175.35 175.83 1wm4 s PHE 76 N -1.74 1.72 0.18 4.03 0.08 -1.26 -1.77 117.98 119.21 1wm4 s PHE 76 Ca 0.31 -0.85 -0.06 0.00 0.12 0.00 0.00 56.93 56.45 1wm4 s PHE 76 Cb -0.10 -1.32 -0.02 0.00 -0.57 0.00 0.00 43.02 41.00 1wm4 s PHE 76 CO 0.24 -0.51 0.22 0.00 -0.10 0.00 0.00 175.22 175.07 1wm4 s ALA 77 N 1.39 0.46 0.22 5.36 0.00 -1.26 0.31 121.76 128.24 1wm4 s ALA 77 Ca 0.00 -1.23 0.10 0.00 0.00 0.00 0.00 51.96 50.84 1wm4 s ALA 77 Cb -0.13 1.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.97 1wm4 s ALA 77 CO -0.06 -0.63 -0.19 -1.17 0.00 0.00 0.00 175.76 173.71 1wm4 s LEU 78 N -3.04 2.52 0.04 0.00 0.20 -1.07 -3.68 118.68 113.65 1wm4 s LEU 78 Ca 0.25 -0.96 0.02 0.00 0.69 0.00 0.00 54.13 54.13 1wm4 s LEU 78 Cb 0.05 -0.95 -0.02 0.00 -0.43 0.00 0.00 46.19 44.83 1wm4 s LEU 78 CO 0.05 -0.01 -0.08 -0.63 -0.29 0.00 0.00 176.35 175.39 1wm4 s ILE 79 N -2.37 0.53 -0.22 6.68 1.09 0.42 -0.83 121.20 126.49 1wm4 s ILE 79 Ca 0.24 -1.04 -0.03 0.00 -1.10 0.00 0.00 60.65 58.71 1wm4 s ILE 79 Cb -0.05 -0.59 -0.01 0.00 -1.06 0.00 0.00 42.46 40.76 1wm4 s ILE 79 CO 0.10 -0.37 -0.06 -0.89 -0.10 0.00 0.00 174.94 173.63 1wm4 s THR 80 N -1.33 3.25 -0.40 2.92 2.01 -0.58 -0.83 115.64 120.68 1wm4 s THR 80 Ca -0.10 -0.53 -0.18 0.00 0.31 0.00 0.00 61.69 61.19 1wm4 s THR 80 Cb -0.10 -2.47 0.01 0.00 0.01 0.00 0.00 72.50 69.95 1wm4 s THR 80 CO 0.00 0.43 0.48 0.86 -0.69 0.00 0.00 174.62 175.71 1wm4 s TRP 81 N 1.45 3.16 -0.61 4.92 -0.11 0.42 -2.16 118.94 126.00 1wm4 s TRP 81 Ca 0.06 -0.14 -0.06 0.00 1.22 0.00 0.00 56.10 57.17 1wm4 s TRP 81 Cb -0.14 -2.96 0.16 0.00 -1.50 0.00 0.00 33.47 29.03 1wm4 s TRP 81 CO -0.04 -0.66 0.47 0.42 -4.62 0.00 0.00 176.95 172.51 1wm4 s ILE 82 N 2.31 4.15 0.75 5.86 -1.09 -1.24 -1.22 121.20 130.72 1wm4 s ILE 82 Ca 0.15 -2.54 -0.15 0.00 -2.23 0.00 0.00 60.65 55.88 1wm4 s ILE 82 Cb -0.16 -3.69 0.05 0.00 -1.58 0.00 0.00 42.46 37.08 1wm4 s ILE 82 CO 0.14 -0.87 1.24 -0.83 -1.23 0.00 0.00 174.94 173.39 1wm4 s GLY 83 N 1.49 2.42 -0.65 6.18 0.00 0.42 -4.89 107.32 112.29 1wm4 s GLY 83 Ca 0.14 0.98 -0.00 0.00 0.00 0.00 0.00 44.72 45.84 1wm4 s GLY 83 CO -0.04 1.41 1.86 -2.21 0.00 0.00 0.00 173.10 174.12 1wm4 n GLU 84 N -2.78 2.88 -0.09 2.90 2.13 -0.39 -4.29 120.64 121.00 1wm4 n GLU 84 Ca 0.14 -3.55 0.00 0.00 0.66 0.00 0.00 57.16 54.41 1wm4 n GLU 84 Cb 0.50 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.92 1wm4 n GLU 84 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1wm4 n ASP 85 N -0.76 0.00 -4.92 4.31 -0.08 -1.22 -4.96 116.55 108.92 1wm4 n ASP 85 Ca 0.57 -1.07 -0.26 0.00 -1.51 0.00 0.00 54.79 52.52 1wm4 n ASP 85 Cb 0.59 -0.01 -0.00 0.00 2.34 0.00 0.00 41.12 44.04 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 0.00 4.91 0.90 5.18 1.01 -1.26 -4.94 120.40 126.21 1wm4 s VAL 86 Ca 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.84 1wm4 s VAL 86 Cb 0.00 -3.85 0.23 0.00 0.00 0.00 0.00 36.38 32.76 1wm4 s VAL 86 CO 0.00 -0.76 0.75 -1.20 0.00 0.00 0.00 175.10 173.89 1wm4 n SER 87 N -2.15 -2.05 0.11 3.32 7.64 -1.26 -4.93 113.62 114.30 1wm4 n SER 87 Ca -0.01 -0.92 0.12 0.00 1.01 0.00 0.00 58.87 59.08 1wm4 n SER 87 Cb 0.55 -0.71 0.23 0.00 -1.01 0.00 0.00 64.21 63.27 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 -2.20 0.00 0.00 0.23 0.00 -2.00 -3.33 103.07 95.77 1wm4 h GLY 88 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1wm4 h GLY 88 CO 0.19 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.77 1wm4 n LEU 89 N -2.43 0.00 0.30 3.11 4.32 -1.26 -2.15 117.00 118.89 1wm4 n LEU 89 Ca 0.04 1.00 0.20 0.00 -0.02 0.00 0.00 56.01 57.23 1wm4 n LEU 89 Cb 0.47 -0.50 1.08 0.00 -1.62 0.00 0.00 43.42 42.86 1wm4 n LEU 89 CO 0.34 -0.50 1.11 1.56 -1.22 0.00 0.00 177.39 178.68 1wm4 h GLN 90 N 0.00 0.00 0.41 3.23 1.08 -1.96 -1.99 115.11 115.88 1wm4 h GLN 90 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1wm4 h GLN 90 Cb 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 1wm4 h GLN 90 CO 0.00 0.00 -0.44 -0.09 -0.95 0.00 0.00 178.83 177.35 1wm4 h ARG 91 N 0.00 -0.84 0.00 1.46 1.12 -1.54 0.68 114.38 115.26 1wm4 h ARG 91 Ca 0.00 0.06 -0.12 0.00 -1.11 0.00 0.00 59.98 58.81 1wm4 h ARG 91 Cb 0.00 0.19 -0.02 0.00 -0.01 0.00 0.00 29.97 30.13 1wm4 h ARG 91 CO 0.00 -0.56 -0.76 0.00 -3.11 0.00 0.00 179.97 175.54 1wm4 h ALA 92 N -0.57 0.66 0.00 2.80 0.00 -1.46 -3.13 119.26 117.55 1wm4 h ALA 92 Ca -0.04 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 1wm4 h ALA 92 Cb 0.78 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1wm4 h ALA 92 CO -0.08 0.70 -0.43 -0.22 0.00 0.00 0.00 179.25 179.22 1wm4 h LYS 93 N 0.00 0.00 0.03 0.00 3.11 -1.14 -3.19 116.57 115.39 1wm4 h LYS 93 Ca -0.05 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1wm4 h LYS 93 Cb 1.44 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.67 1wm4 h LYS 93 CO 0.06 0.43 -0.02 1.15 -2.81 0.00 0.00 179.45 178.27 1wm4 h THR 94 N 0.00 1.32 -0.89 1.00 2.02 0.37 -2.37 112.91 114.35 1wm4 h THR 94 Ca -0.00 -1.74 0.16 0.00 0.77 0.00 0.00 66.41 65.60 1wm4 h THR 94 Cb 0.94 2.38 -0.16 0.00 -1.74 0.00 0.00 68.15 69.57 1wm4 h THR 94 CO 0.06 0.41 -0.29 1.23 0.37 0.00 0.00 175.52 177.29 1wm4 h GLY 95 N -0.89 0.37 0.63 2.16 0.00 -1.56 0.95 103.07 104.73 1wm4 h GLY 95 Ca -0.00 0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.69 1wm4 h GLY 95 CO 0.01 -0.28 -0.20 -0.84 0.00 0.00 0.00 176.54 175.23 1wm4 h THR 96 N -0.02 0.45 -1.11 4.70 2.02 -1.64 -3.08 112.91 114.23 1wm4 h THR 96 Ca 0.38 -0.56 0.35 0.00 0.77 0.00 0.00 66.41 67.35 1wm4 h THR 96 Cb 0.63 0.66 -0.13 0.00 -1.74 0.00 0.00 68.15 67.57 1wm4 h THR 96 CO -0.92 0.08 0.68 0.44 0.37 0.00 0.00 175.52 176.17 1wm4 h ASP 97 N -0.93 0.42 -0.68 4.18 3.32 -0.67 1.00 116.42 123.05 1wm4 h ASP 97 Ca -0.06 0.15 0.02 0.00 0.02 0.00 0.00 57.03 57.16 1wm4 h ASP 97 Cb 0.56 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 1wm4 h ASP 97 CO 0.09 -0.10 0.44 0.11 -1.72 0.00 0.00 179.24 178.06 1wm4 h LYS 98 N 0.26 0.86 -1.16 3.56 1.57 -0.78 -0.35 116.57 120.54 1wm4 h LYS 98 Ca 0.73 -0.05 0.33 0.00 -1.87 0.00 0.00 60.65 59.79 1wm4 h LYS 98 Cb 1.92 -0.19 -0.09 0.00 0.08 0.00 0.00 32.23 33.94 1wm4 h LYS 98 CO -0.48 0.57 0.77 1.15 -0.57 0.00 0.00 179.45 180.88 1wm4 h THR 99 N 0.88 0.39 0.34 -0.16 2.02 0.11 1.12 112.91 117.61 1wm4 h THR 99 Ca 0.26 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 1wm4 h THR 99 Cb -0.05 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 1wm4 h THR 99 CO -0.08 0.04 -0.17 -0.07 0.37 0.00 0.00 175.52 175.62 1wm4 h LEU 100 N 0.24 -0.39 -0.67 2.58 3.38 -1.01 -2.41 115.31 117.02 1wm4 h LEU 100 Ca 0.66 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.51 1wm4 h LEU 100 Cb 1.97 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.82 1wm4 h LEU 100 CO -0.27 0.06 0.00 0.55 0.09 0.00 0.00 178.44 178.87 1wm4 n VAL 101 N -5.09 0.95 0.07 1.22 3.14 -0.27 -1.96 118.33 116.39 1wm4 n VAL 101 Ca -0.08 0.33 -0.22 0.00 -2.96 0.00 0.00 64.34 61.41 1wm4 n VAL 101 Cb 0.25 -1.24 -0.15 0.00 -1.06 0.00 0.00 33.84 31.64 1wm4 n VAL 101 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 1wm4 h LYS 102 N 0.00 0.37 0.00 1.45 1.79 0.13 -3.01 116.57 117.30 1wm4 h LYS 102 Ca 0.00 -0.64 -0.13 0.00 -2.18 0.00 0.00 60.65 57.70 1wm4 h LYS 102 Cb 0.27 0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 31.14 1wm4 h LYS 102 CO 0.00 1.31 -0.85 0.93 -1.08 0.00 0.00 179.45 179.76 1wm4 h GLU 103 N -0.15 0.00 0.10 3.15 5.08 -1.25 -3.33 114.58 118.18 1wm4 h GLU 103 Ca -0.23 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.86 1wm4 h GLU 103 Cb 1.88 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.12 1wm4 h GLU 103 CO 0.17 0.44 -1.26 -0.24 -1.00 0.00 0.00 179.01 177.12 1wm4 h VAL 104 N 0.00 1.46 -1.33 3.13 3.04 -1.53 -3.46 116.25 117.56 1wm4 h VAL 104 Ca -0.06 -3.07 -0.71 0.00 -1.01 0.00 0.00 66.70 61.85 1wm4 h VAL 104 Cb 1.46 2.88 0.08 0.00 -2.01 0.00 0.00 31.29 33.70 1wm4 h VAL 104 CO 0.06 0.88 -0.02 0.55 -1.01 0.00 0.00 177.57 178.04 1wm4 n VAL 105 N -3.47 0.82 -2.31 1.51 3.14 -1.14 -4.85 118.33 112.03 1wm4 n VAL 105 Ca -0.09 -0.20 0.02 0.00 -2.96 0.00 0.00 64.34 61.11 1wm4 n VAL 105 Cb 1.01 -0.30 0.01 0.00 -1.06 0.00 0.00 33.84 33.50 1wm4 n VAL 105 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wm4 n GLN 106 N 1.48 0.00 -2.76 1.45 10.64 -1.26 -4.85 117.38 122.08 1wm4 n GLN 106 Ca 0.18 -1.61 -0.00 0.00 -1.83 0.00 0.00 57.00 53.74 1wm4 n GLN 106 Cb 0.18 -0.14 0.07 0.00 -0.86 0.00 0.00 30.24 29.48 1wm4 n GLN 106 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1wm4 n ASN 107 N 0.31 0.88 -3.93 2.61 3.02 -1.26 -5.10 115.26 111.79 1wm4 n ASN 107 Ca 0.03 -2.06 -0.10 0.00 -0.03 0.00 0.00 54.58 52.41 1wm4 n ASN 107 Cb 0.98 -0.21 -0.11 0.00 -0.61 0.00 0.00 39.78 39.83 1wm4 n ASN 107 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1wm4 s PHE 108 N -2.84 0.15 -0.02 3.10 -0.71 -1.26 -4.65 117.98 111.74 1wm4 s PHE 108 Ca 0.23 -0.31 0.04 0.00 -1.04 0.00 0.00 56.93 55.84 1wm4 s PHE 108 Cb 0.35 -0.12 -0.25 0.00 -1.21 0.00 0.00 43.02 41.79 1wm4 s PHE 108 CO -0.06 -0.21 0.74 0.00 -1.34 0.00 0.00 175.22 174.35 1wm4 h ALA 109 N 4.63 0.51 -2.38 1.99 0.00 0.44 -3.47 119.26 120.97 1wm4 h ALA 109 Ca -0.31 -1.28 0.00 0.00 0.00 0.00 0.00 54.91 53.32 1wm4 h ALA 109 Cb 1.20 0.39 -0.16 0.00 0.00 0.00 0.00 17.79 19.22 1wm4 h ALA 109 CO 0.41 1.36 0.29 0.21 0.00 0.00 0.00 179.25 181.53 1wm4 s LYS 110 N -2.61 1.05 0.19 0.00 2.20 -1.23 -5.05 119.74 114.28 1wm4 s LYS 110 Ca -0.08 -0.14 0.05 0.00 -0.36 0.00 0.00 55.97 55.44 1wm4 s LYS 110 Cb 0.08 0.49 -0.04 0.00 -1.51 0.00 0.00 37.83 36.85 1wm4 s LYS 110 CO 0.82 -0.41 0.19 -1.83 -0.36 0.00 0.00 175.35 173.76 1wm4 s GLU 111 N -2.52 3.03 0.05 4.03 -1.05 -1.26 -2.58 118.70 118.39 1wm4 s GLU 111 Ca -0.02 -0.86 -0.01 0.00 -0.15 0.00 0.00 54.97 53.93 1wm4 s GLU 111 Cb -0.01 -2.69 -0.03 0.00 -0.44 0.00 0.00 34.13 30.96 1wm4 s GLU 111 CO -0.03 0.47 -0.03 -0.06 0.95 0.00 0.00 175.26 176.55 1wm4 s PHE 112 N -1.85 0.48 -0.27 4.83 0.08 -0.01 -4.89 117.98 116.35 1wm4 s PHE 112 Ca 0.32 -0.92 0.03 0.00 0.12 0.00 0.00 56.93 56.48 1wm4 s PHE 112 Cb -0.10 -0.35 0.06 0.00 -0.57 0.00 0.00 43.02 42.07 1wm4 s PHE 112 CO 0.25 -0.31 -0.10 0.14 -0.10 0.00 0.00 175.22 175.10 1wm4 s VAL 113 N -3.26 2.18 0.12 -0.44 -7.23 -1.26 -1.53 120.40 108.98 1wm4 s VAL 113 Ca 0.01 -1.69 -0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1wm4 s VAL 113 Cb 0.03 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 1wm4 s VAL 113 CO -0.07 -0.07 0.29 -0.63 -0.31 0.00 0.00 175.10 174.30 1wm4 s ILE 114 N 1.08 5.31 0.00 -0.62 -1.09 -0.92 -4.88 121.20 120.08 1wm4 s ILE 114 Ca -0.07 -0.39 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 1wm4 s ILE 114 Cb -0.20 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 1wm4 s ILE 114 CO -0.05 0.01 0.38 -0.24 -1.23 0.00 0.00 174.94 173.81 1wm4 n SER 115 N -0.12 0.05 -3.98 3.58 2.88 -1.26 -3.70 113.62 111.07 1wm4 n SER 115 Ca -0.05 -1.02 -0.09 0.00 -1.33 0.00 0.00 58.87 56.38 1wm4 n SER 115 Cb 0.52 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.89 1wm4 n SER 115 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1wm4 s ASP 116 N -0.02 0.27 0.23 -3.46 1.11 -1.26 -4.96 116.67 108.58 1wm4 s ASP 116 Ca 0.00 -0.65 0.00 0.00 0.18 0.00 0.00 52.55 52.08 1wm4 s ASP 116 Cb 0.00 0.19 0.23 0.00 1.07 0.00 0.00 42.92 44.42 1wm4 s ASP 116 CO 0.00 -0.49 1.58 -0.09 1.18 0.00 0.00 175.17 177.35 1wm4 h ARG 117 N 3.72 0.46 0.00 8.23 2.43 -2.00 -2.51 114.38 124.72 1wm4 h ARG 117 Ca -0.33 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.59 1wm4 h ARG 117 Cb 1.18 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1wm4 h ARG 117 CO 0.53 0.84 0.00 0.87 -1.51 0.00 0.00 179.97 180.69 1wm4 h LYS 118 N 0.37 0.00 -0.00 0.20 1.57 -2.01 -2.64 116.57 114.05 1wm4 h LYS 118 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1wm4 h LYS 118 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1wm4 h LYS 118 CO 0.08 0.00 -0.16 0.39 -0.57 0.00 0.00 179.45 179.20 1wm4 n GLU 119 N -2.50 0.73 -0.33 3.15 4.71 -0.95 -3.33 120.64 122.12 1wm4 n GLU 119 Ca 0.03 -0.32 0.12 0.00 -0.01 0.00 0.00 57.16 56.98 1wm4 n GLU 119 Cb 0.36 -1.49 0.30 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 -0.86 3.81 -4.77 -4.62 4.77 -0.99 -4.60 117.00 109.74 1wm4 n LEU 120 Ca 0.14 -1.84 -0.41 0.00 -0.03 0.00 0.00 56.01 53.87 1wm4 n LEU 120 Cb 0.30 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 1wm4 n LEU 120 CO 0.24 0.92 1.08 -1.61 -1.33 0.00 0.00 177.39 176.69 1wm4 s GLU 121 N -1.14 4.23 0.16 3.23 2.02 -1.21 -4.85 118.70 121.13 1wm4 s GLU 121 Ca 0.46 2.40 -0.18 0.00 0.02 0.00 0.00 54.97 57.67 1wm4 s GLU 121 Cb 0.25 -3.03 0.07 0.00 0.10 0.00 0.00 34.13 31.52 1wm4 s GLU 121 CO 0.33 -0.39 1.66 1.05 0.02 0.00 0.00 175.26 177.94 1wm4 h GLU 122 N 3.53 -0.05 -0.77 1.61 9.09 -1.94 -0.83 114.58 125.23 1wm4 h GLU 122 Ca -0.49 0.00 0.02 0.00 0.05 0.00 0.00 59.36 58.95 1wm4 h GLU 122 Cb 1.23 0.01 -0.04 0.00 -1.65 0.00 0.00 28.75 28.30 1wm4 h GLU 122 CO 0.67 -0.03 0.50 0.22 0.05 0.00 0.00 179.01 180.42 1wm4 h ASP 123 N -0.05 0.83 -0.64 3.06 3.58 -1.98 0.30 116.42 121.52 1wm4 h ASP 123 Ca 0.17 -0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.69 1wm4 h ASP 123 Cb 0.32 -0.19 -0.06 0.00 1.72 0.00 0.00 39.33 41.11 1wm4 h ASP 123 CO -0.39 0.58 0.31 0.15 -2.88 0.00 0.00 179.24 177.01 1wm4 h PHE 124 N 0.98 0.56 0.00 0.28 3.57 -1.55 1.00 116.94 121.78 1wm4 h PHE 124 Ca 0.30 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.75 1wm4 h PHE 124 Cb -0.03 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1wm4 h PHE 124 CO -0.03 0.22 -0.38 0.82 -2.23 0.00 0.00 178.31 176.72 1wm4 h ILE 125 N 0.56 0.80 0.17 1.41 1.08 -0.40 -2.89 117.51 118.23 1wm4 h ILE 125 Ca 0.30 -1.64 -0.01 0.00 -0.39 0.00 0.00 64.86 63.12 1wm4 h ILE 125 Cb 0.28 2.05 0.00 0.00 -3.07 0.00 0.00 36.82 36.08 1wm4 h ILE 125 CO -0.23 0.37 -0.08 -0.09 -0.69 0.00 0.00 178.15 177.43 1wm4 h ARG 126 N 0.00 -0.22 0.00 2.37 2.43 0.20 -2.52 114.38 116.63 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 1.01 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1wm4 h ARG 126 CO 0.05 0.13 -0.00 1.03 -1.51 0.00 0.00 179.97 179.67 1wm4 h SER 127 N -0.60 0.00 -0.20 -3.80 0.87 -1.19 -1.75 113.55 106.88 1wm4 h SER 127 Ca -0.02 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.39 1wm4 h SER 127 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1wm4 h SER 127 CO 0.04 0.00 -0.44 -0.33 -0.53 0.00 0.00 176.83 175.57 1wm4 h GLU 128 N 0.00 0.65 0.05 2.24 4.39 -1.25 -2.75 114.58 117.92 1wm4 h GLU 128 Ca -0.00 -0.43 -0.00 0.00 0.34 0.00 0.00 59.36 59.26 1wm4 h GLU 128 Cb 0.19 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1wm4 h GLU 128 CO 0.00 1.05 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.81 1wm4 h LEU 129 N 0.34 -0.06 -1.64 1.33 3.38 -0.99 -2.99 115.31 114.70 1wm4 h LEU 129 Ca 0.00 -0.58 0.10 0.00 0.09 0.00 0.00 57.88 57.50 1wm4 h LEU 129 Cb 1.05 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1wm4 h LEU 129 CO 0.10 0.60 0.60 0.11 0.09 0.00 0.00 178.44 179.93 1wm4 h LYS 130 N -0.76 0.00 0.50 1.13 1.57 -1.43 -0.83 116.57 116.74 1wm4 h LYS 130 Ca -0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1wm4 h LYS 130 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1wm4 h LYS 130 CO 0.01 0.00 -0.24 0.87 -0.57 0.00 0.00 179.45 179.52 1wm4 h LYS 131 N 0.00 -0.64 -6.04 3.15 1.79 -1.33 -3.48 116.57 110.02 1wm4 h LYS 131 Ca 0.17 0.04 -0.25 0.00 -2.18 0.00 0.00 60.65 58.43 1wm4 h LYS 131 Cb 1.36 0.15 0.01 0.00 -1.58 0.00 0.00 32.23 32.17 1wm4 h LYS 131 CO -0.00 -0.39 -0.56 0.00 -1.08 0.00 0.00 179.45 177.42 1wm4 n ALA 132 N -2.69 -2.64 -2.72 3.86 0.00 -0.32 -4.97 120.51 111.03 1wm4 n ALA 132 Ca -0.09 -0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.17 1wm4 n ALA 132 Cb 0.28 -1.40 0.03 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.71 -1.00 0.00 0.00 0.00 -1.26 -4.97 105.19 96.25 1wm4 n GLY 133 Ca -0.15 0.75 0.01 0.00 0.00 0.00 0.00 46.02 46.63 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 2.39 -0.10 3.73 -0.02 0.00 -1.26 -4.75 105.19 105.17 1wm4 n GLY 134 Ca 0.12 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.81 -1.65 0.08 4.61 0.00 -1.26 -4.72 120.51 116.76 1wm4 n ALA 135 Ca 0.01 0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.54 1wm4 n ALA 135 Cb 0.01 -3.45 0.10 0.00 0.00 0.00 0.00 19.45 16.11 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 -2.98 0.10 0.19 0.00 2.04 -1.26 -0.29 115.26 113.05 1wm4 n ASN 136 Ca -0.13 0.29 0.12 0.00 -0.44 0.00 0.00 54.58 54.42 1wm4 n ASN 136 Cb 0.61 -0.22 0.62 0.00 -2.53 0.00 0.00 39.78 38.25 1wm4 n ASN 136 CO 0.00 0.00 0.00 0.22 -0.44 0.00 0.00 177.26 177.04 1wm4 h TYR 137 N 0.00 0.00 0.01 -2.53 3.20 -1.99 -2.31 116.97 113.35 1wm4 h TYR 137 Ca 0.00 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.55 1wm4 h TYR 137 Cb 0.85 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.07 1wm4 h TYR 137 CO 0.00 0.00 -1.77 -0.25 -1.64 0.00 0.00 178.16 174.50 1wm4 n ASP 138 N -2.32 1.92 -3.13 -2.11 8.00 0.60 -5.04 116.55 114.47 1wm4 n ASP 138 Ca -0.02 0.35 -0.12 0.00 0.71 0.00 0.00 54.79 55.71 1wm4 n ASP 138 Cb 0.10 -0.89 0.01 0.00 -0.02 0.00 0.00 41.12 40.33 1wm4 n ASP 138 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wm4 n ALA 139 N -3.62 -2.55 1.83 2.24 0.00 -0.87 -4.76 120.51 112.79 1wm4 n ALA 139 Ca -0.40 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1wm4 n ALA 139 Cb 0.79 -1.61 0.02 0.00 0.00 0.00 0.00 19.45 18.65 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 0.51 0.92 -0.14 0.00 6.02 -1.26 -3.16 117.38 120.26 1wm4 n GLN 140 Ca -0.01 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.06 1wm4 n GLN 140 Cb 0.44 -1.01 0.25 0.00 1.02 0.00 0.00 30.24 30.94 1wm4 n GLN 140 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1wm4 n SER 141 N -0.51 1.83 0.00 1.08 7.64 -1.26 -5.32 113.62 117.08 1wm4 n SER 141 Ca 0.01 -1.88 0.00 0.00 1.01 0.00 0.00 58.87 58.00 1wm4 n SER 141 Cb 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 1wm4 n SER 141 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41