#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wmz n GLN 2 N 0.00 1.96 -2.36 -3.83 3.00 -1.26 -5.02 117.38 109.88 1wmz n GLN 2 Ca 0.00 -3.13 -0.33 0.00 -0.01 0.00 0.00 57.00 53.54 1wmz n GLN 2 Cb 0.00 -1.81 -0.02 0.00 0.00 0.00 0.00 30.24 28.41 1wmz n GLN 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1wmz n PRO 4 N -1.48 0.61 -1.58 0.00 -0.02 -1.26 -4.84 135.00 126.42 1wmz n PRO 4 Ca 0.08 0.26 -0.50 0.00 -2.02 0.00 0.00 63.50 61.32 1wmz n PRO 4 Cb 0.53 -2.27 -0.05 0.00 -0.02 0.00 0.00 33.50 31.69 1wmz n PRO 4 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1wmz n THR 5 N -2.40 0.49 -0.95 3.45 -1.04 -1.26 -1.53 114.28 111.04 1wmz n THR 5 Ca 0.14 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1wmz n THR 5 Cb 0.49 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 68.18 1wmz n THR 5 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1wmz n ASP 6 N 2.24 -4.07 -4.88 8.00 8.00 -1.26 -5.01 116.55 119.57 1wmz n ASP 6 Ca 0.17 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.32 1wmz n ASP 6 Cb 0.22 -2.23 -0.05 0.00 -0.02 0.00 0.00 41.12 39.04 1wmz n ASP 6 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1wmz s TRP 7 N -1.50 3.58 -0.10 1.24 0.52 -0.58 -4.79 118.94 117.30 1wmz s TRP 7 Ca 0.00 0.62 -0.04 0.00 0.02 0.00 0.00 56.10 56.70 1wmz s TRP 7 Cb 0.00 -2.02 -0.04 0.00 -1.15 0.00 0.00 33.47 30.26 1wmz s TRP 7 CO 0.00 0.59 0.06 -1.21 0.02 0.00 0.00 176.95 176.41 1wmz s GLU 8 N -1.81 3.22 -0.06 4.98 0.41 0.61 -4.74 118.70 121.31 1wmz s GLU 8 Ca 0.29 -0.30 -0.16 0.00 -0.41 0.00 0.00 54.97 54.40 1wmz s GLU 8 Cb -0.13 -2.97 -0.05 0.00 -1.78 0.00 0.00 34.13 29.19 1wmz s GLU 8 CO 0.17 0.71 0.41 0.00 -0.49 0.00 0.00 175.26 176.06 1wmz s ALA 9 N -0.86 3.61 -0.25 5.21 0.00 -1.26 -0.91 121.76 127.29 1wmz s ALA 9 Ca 0.13 -0.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 1wmz s ALA 9 Cb -0.12 -2.47 0.14 0.00 0.00 0.00 0.00 23.12 20.66 1wmz s ALA 9 CO 0.03 0.26 0.47 -2.00 0.00 0.00 0.00 175.76 174.52 1wmz s GLU 10 N -0.27 0.42 6.91 0.00 2.56 -0.70 -5.01 118.70 122.60 1wmz s GLU 10 Ca 0.23 0.88 0.00 0.00 0.00 0.00 0.00 54.97 56.09 1wmz s GLU 10 Cb -0.16 0.13 0.00 0.00 2.00 0.00 0.00 34.13 36.11 1wmz s GLU 10 CO 0.11 -0.48 0.00 0.41 -0.56 0.00 0.00 175.26 174.73 1wmz n GLY 11 N 5.40 2.49 0.70 -1.50 0.00 -1.26 -2.10 105.19 108.92 1wmz n GLY 11 Ca -0.05 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 45.69 1wmz n GLY 11 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wmz n ASP 12 N 4.73 2.03 -4.28 1.61 8.00 -1.26 -4.93 116.55 122.45 1wmz n ASP 12 Ca 0.00 -1.97 -0.16 0.00 0.71 0.00 0.00 54.79 53.37 1wmz n ASP 12 Cb 0.00 -0.24 -0.10 0.00 -0.02 0.00 0.00 41.12 40.76 1wmz n ASP 12 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1wmz s HIS 13 N -1.52 1.41 0.07 1.24 3.76 -0.89 -4.66 115.29 114.71 1wmz s HIS 13 Ca 0.27 -0.72 0.09 0.00 -0.15 0.00 0.00 55.06 54.55 1wmz s HIS 13 Cb 0.14 -0.71 -0.03 0.00 1.11 0.00 0.00 32.58 33.09 1wmz s HIS 13 CO 0.19 0.15 -0.22 0.00 -0.85 0.00 0.00 174.74 174.01 1wmz s TYR 15 N -0.96 1.02 -0.17 0.00 1.51 -0.09 -0.30 117.35 118.37 1wmz s TYR 15 Ca 0.14 -0.45 -0.08 0.00 -1.01 0.00 0.00 57.07 55.67 1wmz s TYR 15 Cb -0.10 -0.59 0.07 0.00 -0.11 0.00 0.00 41.96 41.23 1wmz s TYR 15 CO 0.05 0.01 0.39 0.50 -1.11 0.00 0.00 175.55 175.39 1wmz s ARG 16 N -1.60 0.34 0.01 -0.62 3.52 -0.65 -0.28 118.95 119.66 1wmz s ARG 16 Ca -0.04 0.84 -0.22 0.00 -0.13 0.00 0.00 55.73 56.17 1wmz s ARG 16 Cb -0.10 0.07 -0.05 0.00 -1.56 0.00 0.00 34.95 33.31 1wmz s ARG 16 CO 0.02 -0.20 0.66 0.12 -0.81 0.00 0.00 175.30 175.09 1wmz s PHE 17 N 1.82 3.69 -0.27 5.12 5.36 -1.26 -0.93 117.98 131.52 1wmz s PHE 17 Ca -0.06 1.29 0.00 0.00 -0.96 0.00 0.00 56.93 57.20 1wmz s PHE 17 Cb -0.10 -2.70 0.05 0.00 -0.34 0.00 0.00 43.02 39.93 1wmz s PHE 17 CO -0.12 0.30 -0.07 -0.06 -1.46 0.00 0.00 175.22 173.81 1wmz s PHE 18 N -0.07 3.19 -1.33 10.12 0.08 -0.55 -5.02 117.98 124.41 1wmz s PHE 18 Ca 0.34 -1.96 -0.06 0.00 0.12 0.00 0.00 56.93 55.37 1wmz s PHE 18 Cb -0.19 -2.02 0.12 0.00 -0.57 0.00 0.00 43.02 40.36 1wmz s PHE 18 CO 0.19 -0.82 2.35 -1.71 -0.10 0.00 0.00 175.22 175.14 1wmz n ASN 19 N 4.56 7.80 -3.79 1.36 5.15 -1.26 -2.80 115.26 126.27 1wmz n ASN 19 Ca -0.15 -3.13 -0.14 0.00 -0.60 0.00 0.00 54.58 50.56 1wmz n ASN 19 Cb 0.44 -1.38 -0.15 0.00 -0.53 0.00 0.00 39.78 38.16 1wmz n ASN 19 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1wmz s THR 20 N -0.94 -0.04 0.10 -0.44 2.01 -1.26 -5.08 115.64 109.99 1wmz s THR 20 Ca 0.53 0.16 -0.31 0.00 0.31 0.00 0.00 61.69 62.39 1wmz s THR 20 Cb 0.18 -0.07 -0.07 0.00 0.01 0.00 0.00 72.50 72.55 1wmz s THR 20 CO -0.08 0.07 1.23 -0.76 -0.69 0.00 0.00 174.62 174.38 1wmz s LEU 21 N 0.81 4.39 0.28 4.42 1.43 -1.26 -4.16 118.68 124.58 1wmz s LEU 21 Ca -0.07 2.12 -0.16 0.00 -1.03 0.00 0.00 54.13 54.99 1wmz s LEU 21 Cb -0.10 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.55 1wmz s LEU 21 CO -0.02 -0.47 0.61 0.28 0.23 0.00 0.00 176.35 176.97 1wmz s THR 22 N 0.77 0.00 0.77 5.49 -1.32 -0.19 -4.88 115.64 116.27 1wmz s THR 22 Ca 0.58 -1.21 -0.11 0.00 -1.21 0.00 0.00 61.69 59.74 1wmz s THR 22 Cb -0.31 -2.18 0.05 0.00 -1.51 0.00 0.00 72.50 68.54 1wmz s THR 22 CO 0.31 0.00 1.09 0.42 -2.21 0.00 0.00 174.62 174.23 1wmz s THR 23 N -3.81 3.37 0.16 5.08 -4.23 -1.26 -1.08 115.64 113.86 1wmz s THR 23 Ca 0.17 0.44 -0.15 0.00 -1.18 0.00 0.00 61.69 60.98 1wmz s THR 23 Cb -0.03 -3.19 0.03 0.00 1.34 0.00 0.00 72.50 70.65 1wmz s THR 23 CO 0.09 -0.58 1.77 -0.25 -0.54 0.00 0.00 174.62 175.10 1wmz h TRP 24 N -0.98 0.64 -0.42 3.99 7.01 -1.84 -1.59 115.95 122.76 1wmz h TRP 24 Ca -0.46 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.53 1wmz h TRP 24 Cb 1.25 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 28.08 1wmz h TRP 24 CO 0.51 0.48 0.28 1.49 -2.79 0.00 0.00 178.44 178.41 1wmz h GLU 25 N 0.62 0.56 -0.58 2.65 4.81 -1.94 0.73 114.58 121.44 1wmz h GLU 25 Ca 0.17 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 1wmz h GLU 25 Cb 0.04 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1wmz h GLU 25 CO -0.03 0.38 0.07 -0.97 -0.73 0.00 0.00 179.01 177.73 1wmz h ASN 26 N 0.57 0.91 -0.52 1.04 -1.24 -1.91 -2.35 115.58 112.08 1wmz h ASN 26 Ca 0.16 -0.21 -0.05 0.00 0.71 0.00 0.00 56.30 56.91 1wmz h ASN 26 Cb -0.06 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.73 1wmz h ASN 26 CO -0.03 0.93 0.13 0.00 -1.29 0.00 0.00 177.43 177.17 1wmz h ALA 27 N 1.18 0.68 -0.00 1.57 0.00 -0.96 0.75 119.26 122.48 1wmz h ALA 27 Ca 0.18 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1wmz h ALA 27 Cb 0.43 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1wmz h ALA 27 CO 0.01 0.37 -0.29 1.25 0.00 0.00 0.00 179.25 180.60 1wmz h HIS 28 N 0.72 -0.78 -0.45 0.00 -0.00 -0.66 -0.36 115.15 113.63 1wmz h HIS 28 Ca 0.16 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.55 1wmz h HIS 28 Cb 0.32 0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 28.06 1wmz h HIS 28 CO 0.02 -0.38 0.26 0.45 -0.00 0.00 0.00 177.93 178.28 1wmz h HIS 29 N -0.43 0.60 -0.49 5.26 -0.00 -1.30 -0.37 115.15 118.42 1wmz h HIS 29 Ca 0.06 -0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.49 1wmz h HIS 29 Cb 0.52 -0.20 -0.06 0.00 -0.00 0.00 0.00 27.41 27.68 1wmz h HIS 29 CO -0.32 0.43 0.18 0.93 -0.00 0.00 0.00 177.93 179.15 1wmz h GLU 30 N 0.59 0.34 -0.38 2.45 4.39 -0.54 -0.79 114.58 120.65 1wmz h GLU 30 Ca 0.16 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.80 1wmz h GLU 30 Cb 0.02 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1wmz h GLU 30 CO -0.03 0.23 0.08 0.00 -1.16 0.00 0.00 179.01 178.13 1wmz h VAL 32 N 0.46 0.89 0.00 0.00 2.07 -0.72 -2.52 116.25 116.44 1wmz h VAL 32 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1wmz h VAL 32 Cb 0.32 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1wmz h VAL 32 CO 0.00 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.05 1wmz n SER 33 N -4.41 0.57 -1.09 0.57 3.41 -0.33 -1.36 113.62 110.97 1wmz n SER 33 Ca -0.01 0.72 0.10 0.00 -0.26 0.00 0.00 58.87 59.42 1wmz n SER 33 Cb 0.18 -0.81 0.27 0.00 -0.26 0.00 0.00 64.21 63.59 1wmz n SER 33 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1wmz n TYR 34 N -2.22 0.73 -1.82 7.33 4.02 -0.95 -4.94 117.16 119.32 1wmz n TYR 34 Ca -0.00 -0.37 -0.34 0.00 -0.01 0.00 0.00 57.90 57.18 1wmz n TYR 34 Cb 0.10 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.46 1wmz n TYR 34 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1wmz s SER 35 N -1.10 5.06 -0.21 7.72 0.01 -0.47 -4.66 113.70 120.05 1wmz s SER 35 Ca 0.40 2.14 -0.04 0.00 1.31 0.00 0.00 55.95 59.76 1wmz s SER 35 Cb 0.21 -2.57 0.08 0.00 0.21 0.00 0.00 66.02 63.95 1wmz s SER 35 CO 0.28 -1.67 0.12 0.00 0.41 0.00 0.00 173.24 172.38 1wmz h SER 37 N 8.40 0.19 1.09 0.00 4.64 -1.96 -1.16 113.55 124.75 1wmz h SER 37 Ca -0.17 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 1wmz h SER 37 Cb 1.10 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1wmz h SER 37 CO 0.34 0.54 -0.03 0.71 -0.87 0.00 0.00 176.83 177.51 1wmz h THR 38 N 0.16 0.09 -0.17 2.95 1.35 -1.95 -2.24 112.91 113.11 1wmz h THR 38 Ca 0.02 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1wmz h THR 38 Cb 0.71 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1wmz h THR 38 CO 0.05 0.03 0.00 0.18 -0.25 0.00 0.00 175.52 175.54 1wmz n LEU 39 N -3.14 2.77 -3.65 3.87 4.77 -1.12 -5.00 117.00 115.50 1wmz n LEU 39 Ca 0.01 -2.42 -0.26 0.00 -0.03 0.00 0.00 56.01 53.31 1wmz n LEU 39 Cb 0.34 -0.27 0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1wmz n LEU 39 CO 0.29 0.65 0.15 0.59 -1.33 0.00 0.00 177.39 177.74 1wmz n ASN 40 N -0.35 -5.65 -4.61 -1.43 3.02 -0.84 -4.78 115.26 100.63 1wmz n ASN 40 Ca 0.11 -0.60 -0.37 0.00 -0.03 0.00 0.00 54.58 53.70 1wmz n ASN 40 Cb 0.52 -4.48 -0.10 0.00 -0.61 0.00 0.00 39.78 35.10 1wmz n ASN 40 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wmz s VAL 41 N -3.28 5.13 -0.21 2.41 1.01 -0.49 -1.17 120.40 123.80 1wmz s VAL 41 Ca 0.58 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.60 1wmz s VAL 41 Cb -0.27 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1wmz s VAL 41 CO 0.72 0.33 0.03 -0.13 0.00 0.00 0.00 175.10 176.05 1wmz s ARG 42 N 1.23 3.70 -0.02 2.72 1.81 -0.04 -1.08 118.95 127.27 1wmz s ARG 42 Ca 0.07 -0.47 0.02 0.00 -1.72 0.00 0.00 55.73 53.62 1wmz s ARG 42 Cb -0.14 -3.17 -0.03 0.00 -0.45 0.00 0.00 34.95 31.15 1wmz s ARG 42 CO 0.06 0.01 -0.04 0.45 -0.68 0.00 0.00 175.30 175.10 1wmz s SER 43 N 1.03 4.82 0.30 0.23 0.15 -1.26 -0.68 113.70 118.29 1wmz s SER 43 Ca 0.03 -0.06 -0.19 0.00 0.70 0.00 0.00 55.95 56.42 1wmz s SER 43 Cb -0.14 -1.20 0.04 0.00 -1.71 0.00 0.00 66.02 63.01 1wmz s SER 43 CO 0.02 0.30 0.77 -0.62 1.20 0.00 0.00 173.24 174.92 1wmz s ASP 44 N -1.33 -0.15 0.59 5.45 3.68 -0.90 -3.71 116.67 120.30 1wmz s ASP 44 Ca 0.17 -0.78 -0.20 0.00 2.13 0.00 0.00 52.55 53.87 1wmz s ASP 44 Cb -0.11 0.75 -0.03 0.00 -1.45 0.00 0.00 42.92 42.07 1wmz s ASP 44 CO 0.07 -1.43 1.30 -0.76 0.13 0.00 0.00 175.17 174.48 1wmz s LEU 45 N -2.99 3.72 0.26 -1.34 1.43 -1.26 -1.04 118.68 117.46 1wmz s LEU 45 Ca 0.13 2.63 -0.31 0.00 -1.03 0.00 0.00 54.13 55.55 1wmz s LEU 45 Cb -0.05 -4.46 -0.12 0.00 0.03 0.00 0.00 46.19 41.59 1wmz s LEU 45 CO 0.08 -1.70 1.58 0.55 0.23 0.00 0.00 176.35 177.09 1wmz n VAL 46 N -1.42 0.75 -4.17 -1.59 3.14 -0.86 -4.35 118.33 109.83 1wmz n VAL 46 Ca 0.13 -0.19 -0.31 0.00 -2.96 0.00 0.00 64.34 61.01 1wmz n VAL 46 Cb 0.47 -1.83 -0.08 0.00 -1.06 0.00 0.00 33.84 31.34 1wmz n VAL 46 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1wmz s SER 47 N 0.60 5.17 -0.16 6.55 1.04 -1.26 -1.06 113.70 124.60 1wmz s SER 47 Ca 0.68 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 57.03 1wmz s SER 47 Cb -0.54 -1.31 0.03 0.00 0.10 0.00 0.00 66.02 64.29 1wmz s SER 47 CO 0.45 0.21 -0.12 -0.69 0.98 0.00 0.00 173.24 174.07 1wmz s VAL 48 N -1.25 1.51 -0.57 5.02 1.01 -1.26 -5.02 120.40 119.84 1wmz s VAL 48 Ca 0.24 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.61 1wmz s VAL 48 Cb -0.12 -1.47 0.09 0.00 0.00 0.00 0.00 36.38 34.89 1wmz s VAL 48 CO 0.16 0.38 0.89 1.41 0.00 0.00 0.00 175.10 177.94 1wmz n HIS 49 N 4.78 0.11 -3.63 5.22 8.25 -1.26 -4.65 115.22 124.04 1wmz n HIS 49 Ca -0.16 -0.24 -0.04 0.00 -0.26 0.00 0.00 57.72 57.02 1wmz n HIS 49 Cb 0.49 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.57 1wmz n HIS 49 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1wmz s SER 50 N -0.71 -0.20 0.39 0.41 1.04 -1.26 -4.39 113.70 108.97 1wmz s SER 50 Ca 0.09 -0.17 0.10 0.00 0.48 0.00 0.00 55.95 56.45 1wmz s SER 50 Cb 0.05 0.34 0.78 0.00 0.10 0.00 0.00 66.02 67.29 1wmz s SER 50 CO 0.07 -0.60 1.90 0.00 0.98 0.00 0.00 173.24 175.60 1wmz h ALA 51 N 2.00 1.49 -0.29 5.32 0.00 -1.99 -0.63 119.26 125.15 1wmz h ALA 51 Ca -0.22 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1wmz h ALA 51 Cb 1.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1wmz h ALA 51 CO 0.27 0.36 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 1wmz h ALA 52 N 1.64 0.40 -0.32 0.00 0.00 -1.99 -1.28 119.26 117.72 1wmz h ALA 52 Ca 0.03 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1wmz h ALA 52 Cb 0.42 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1wmz h ALA 52 CO 0.03 0.16 -0.30 1.49 0.00 0.00 0.00 179.25 180.63 1wmz h GLU 53 N 0.31 0.66 0.00 0.00 4.81 -1.85 0.15 114.58 118.66 1wmz h GLU 53 Ca 0.08 -0.29 0.03 0.00 -0.13 0.00 0.00 59.36 59.05 1wmz h GLU 53 Cb 0.46 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 1wmz h GLU 53 CO 0.02 0.88 -0.23 0.37 -0.73 0.00 0.00 179.01 179.32 1wmz h GLN 54 N 0.57 -0.35 -0.62 1.92 5.75 -1.01 -1.04 115.11 120.32 1wmz h GLN 54 Ca 0.07 0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.51 1wmz h GLN 54 Cb 0.79 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.40 1wmz h GLN 54 CO 0.07 -0.23 0.09 0.00 -2.65 0.00 0.00 178.83 176.10 1wmz h ALA 55 N 0.50 0.83 -0.07 3.38 0.00 -1.05 -0.35 119.26 122.49 1wmz h ALA 55 Ca 0.06 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1wmz h ALA 55 Cb 0.44 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1wmz h ALA 55 CO -0.21 0.60 -0.13 -0.92 0.00 0.00 0.00 179.25 178.59 1wmz h TYR 56 N 0.95 -0.34 -0.21 0.00 5.03 -0.74 0.30 116.97 121.95 1wmz h TYR 56 Ca 0.19 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.49 1wmz h TYR 56 Cb 0.45 0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.88 1wmz h TYR 56 CO 0.03 -0.20 0.03 0.28 -1.32 0.00 0.00 178.16 176.99 1wmz h VAL 57 N -0.19 1.23 -0.14 1.81 2.07 -1.01 -1.07 116.25 118.95 1wmz h VAL 57 Ca 0.07 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 66.87 1wmz h VAL 57 Cb 0.29 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1wmz h VAL 57 CO -0.18 0.23 -0.02 0.15 0.02 0.00 0.00 177.57 177.77 1wmz h PHE 58 N 0.15 -0.04 -0.70 1.57 3.57 -0.93 -1.59 116.94 118.97 1wmz h PHE 58 Ca 0.06 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 1wmz h PHE 58 Cb 0.32 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 1wmz h PHE 58 CO 0.02 -0.04 0.17 -0.91 -2.23 0.00 0.00 178.31 175.32 1wmz h ASN 59 N 0.03 1.06 0.09 0.41 2.35 -0.89 0.27 115.58 118.90 1wmz h ASN 59 Ca 0.07 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1wmz h ASN 59 Cb 0.09 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1wmz h ASN 59 CO -0.13 1.02 -0.07 0.22 -1.65 0.00 0.00 177.43 176.82 1wmz h TYR 60 N 1.06 -0.19 0.07 1.19 3.20 -1.04 -0.58 116.97 120.68 1wmz h TYR 60 Ca 0.22 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.11 1wmz h TYR 60 Cb 0.37 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.67 1wmz h TYR 60 CO 0.03 -0.12 -0.38 2.35 -1.64 0.00 0.00 178.16 178.40 1wmz h TRP 61 N -0.17 -1.06 0.00 -3.82 7.01 -1.11 -2.99 115.95 113.81 1wmz h TRP 61 Ca -0.00 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.03 1wmz h TRP 61 Cb 0.16 0.45 0.00 0.00 -2.10 0.00 0.00 29.16 27.68 1wmz h TRP 61 CO -0.10 -0.48 0.00 0.54 -2.79 0.00 0.00 178.44 175.61 1wmz n ARG 62 N -5.44 0.20 0.27 2.65 5.12 0.07 -1.46 116.66 118.06 1wmz n ARG 62 Ca -0.06 0.25 0.17 0.00 -1.93 0.00 0.00 57.85 56.27 1wmz n ARG 62 Cb 0.36 -1.77 0.66 0.00 -1.16 0.00 0.00 32.46 30.55 1wmz n ARG 62 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1wmz h GLY 63 N 3.89 0.00 0.00 -0.13 0.00 -0.95 -3.34 103.07 102.54 1wmz h GLY 63 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 1wmz h GLY 63 CO 0.00 0.00 -1.95 1.39 0.00 0.00 0.00 176.54 175.98 1wmz n ILE 64 N -3.05 0.95 -3.78 2.60 5.41 -0.79 -4.97 119.36 115.72 1wmz n ILE 64 Ca 0.01 -0.31 -0.37 0.00 1.00 0.00 0.00 62.75 63.08 1wmz n ILE 64 Cb 0.31 -1.37 -0.13 0.00 -0.71 0.00 0.00 39.64 37.74 1wmz n ILE 64 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1wmz s ASP 65 N -6.03 5.00 0.00 4.38 3.68 -0.54 -4.96 116.67 118.21 1wmz s ASP 65 Ca -0.23 -0.52 0.11 0.00 2.13 0.00 0.00 52.55 54.04 1wmz s ASP 65 Cb 0.07 -1.87 0.24 0.00 -1.45 0.00 0.00 42.92 39.91 1wmz s ASP 65 CO 0.35 -0.12 1.13 -1.54 0.13 0.00 0.00 175.17 175.11 1wmz n SER 66 N 4.87 2.62 -4.80 -0.34 3.41 -1.26 -4.35 113.62 113.77 1wmz n SER 66 Ca -0.16 -1.83 -0.33 0.00 -0.26 0.00 0.00 58.87 56.30 1wmz n SER 66 Cb 0.49 -0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 64.27 1wmz n SER 66 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1wmz s GLN 67 N -0.98 3.56 0.27 4.33 -0.21 -1.26 -5.01 119.66 120.36 1wmz s GLN 67 Ca 0.20 1.27 -0.30 0.00 0.02 0.00 0.00 55.36 56.55 1wmz s GLN 67 Cb 0.11 -2.06 -0.11 0.00 1.00 0.00 0.00 33.01 31.95 1wmz s GLN 67 CO 0.16 -0.62 1.53 0.00 -2.12 0.00 0.00 175.29 174.23 1wmz s ALA 68 N -2.25 3.70 0.00 6.09 0.00 -1.26 -4.91 121.76 123.13 1wmz s ALA 68 Ca 0.65 1.45 0.00 0.00 0.00 0.00 0.00 51.96 54.06 1wmz s ALA 68 Cb -0.16 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1wmz s ALA 68 CO 0.29 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.60 1wmz n GLY 69 N 2.28 -0.97 3.51 0.00 0.00 -1.26 -5.08 105.19 103.66 1wmz n GLY 69 Ca 0.08 -1.15 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 1wmz n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wmz s GLN 70 N -1.88 1.74 -0.16 1.61 1.11 -1.26 -2.16 119.66 118.66 1wmz s GLN 70 Ca 0.00 -1.96 -0.01 0.00 0.01 0.00 0.00 55.36 53.40 1wmz s GLN 70 Cb 0.00 -1.18 0.04 0.00 -1.01 0.00 0.00 33.01 30.86 1wmz s GLN 70 CO 0.00 -0.10 -0.03 -1.17 0.01 0.00 0.00 175.29 173.99 1wmz s LEU 71 N -3.56 1.43 0.32 2.90 2.96 -0.61 -1.91 118.68 120.21 1wmz s LEU 71 Ca 0.35 -0.61 -0.29 0.00 -0.22 0.00 0.00 54.13 53.36 1wmz s LEU 71 Cb 0.08 -0.81 -0.11 0.00 0.50 0.00 0.00 46.19 45.86 1wmz s LEU 71 CO 0.16 -0.20 1.43 0.26 -1.32 0.00 0.00 176.35 176.68 1wmz s TRP 72 N 1.71 2.86 0.44 5.38 0.23 0.30 -0.55 118.94 129.30 1wmz s TRP 72 Ca 0.01 1.15 0.03 0.00 -2.03 0.00 0.00 56.10 55.27 1wmz s TRP 72 Cb -0.15 -3.87 -0.04 0.00 0.03 0.00 0.00 33.47 29.44 1wmz s TRP 72 CO -0.07 -2.65 0.04 0.96 0.96 0.00 0.00 176.95 176.19 1wmz s ILE 73 N -0.68 1.22 -1.30 2.03 -4.36 -0.81 -3.75 121.20 113.55 1wmz s ILE 73 Ca 0.55 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.95 1wmz s ILE 73 Cb -0.43 -2.49 0.07 0.00 1.25 0.00 0.00 42.46 40.86 1wmz s ILE 73 CO 0.53 0.00 0.77 0.61 0.24 0.00 0.00 174.94 177.09 1wmz n GLY 74 N -1.03 0.85 3.75 6.27 0.00 -0.22 -4.43 105.19 110.38 1wmz n GLY 74 Ca -0.10 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 1wmz n GLY 74 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wmz s LEU 75 N -0.52 4.35 0.03 0.99 2.96 -1.26 -0.67 118.68 124.56 1wmz s LEU 75 Ca 0.05 0.99 -0.22 0.00 -0.22 0.00 0.00 54.13 54.73 1wmz s LEU 75 Cb 0.04 -2.80 0.05 0.00 0.50 0.00 0.00 46.19 43.97 1wmz s LEU 75 CO 0.02 0.06 0.51 -0.72 -1.32 0.00 0.00 176.35 174.90 1wmz s TYR 76 N 0.19 -0.42 -0.09 5.38 -0.00 -0.10 -0.10 117.35 122.21 1wmz s TYR 76 Ca 0.29 0.52 0.13 0.00 -0.00 0.00 0.00 57.07 58.01 1wmz s TYR 76 Cb -0.17 0.31 0.22 0.00 -0.00 0.00 0.00 41.96 42.32 1wmz s TYR 76 CO 0.14 -0.60 1.11 -0.40 -0.00 0.00 0.00 175.55 175.80 1wmz n ASP 77 N 0.58 1.51 -0.33 -0.18 5.75 -0.54 -1.21 116.55 122.14 1wmz n ASP 77 Ca -0.19 -2.77 0.19 0.00 -0.01 0.00 0.00 54.79 52.01 1wmz n ASP 77 Cb 0.59 -0.36 0.40 0.00 -1.03 0.00 0.00 41.12 40.72 1wmz n ASP 77 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1wmz h LYS 78 N 0.13 0.42 -0.02 0.11 3.64 -1.91 -2.10 116.57 116.84 1wmz h LYS 78 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1wmz h LYS 78 Cb 1.17 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1wmz h LYS 78 CO 0.00 0.28 -0.21 0.66 -2.27 0.00 0.00 179.45 177.92 1wmz n TYR 79 N -5.00 0.00 -3.12 1.91 4.02 -1.26 -4.73 117.16 108.98 1wmz n TYR 79 Ca 0.28 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 58.19 1wmz n TYR 79 Cb 0.82 -0.01 -0.00 0.00 -0.02 0.00 0.00 39.34 40.13 1wmz n TYR 79 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1wmz s ASN 80 N -2.22 -1.30 0.17 7.72 2.47 -0.80 -5.13 114.94 115.85 1wmz s ASN 80 Ca 0.25 -0.40 -0.33 0.00 0.42 0.00 0.00 52.86 52.80 1wmz s ASN 80 Cb 0.19 1.70 -0.13 0.00 -1.45 0.00 0.00 41.25 41.56 1wmz s ASN 80 CO 0.42 -0.17 1.64 1.21 -3.72 0.00 0.00 177.10 176.48 1wmz n GLU 81 N 4.60 2.36 -0.11 0.43 4.07 -1.17 -1.53 120.64 129.28 1wmz n GLU 81 Ca 0.09 0.85 0.00 0.00 -0.06 0.00 0.00 57.16 58.04 1wmz n GLU 81 Cb 0.57 -2.65 0.00 0.00 -0.06 0.00 0.00 31.44 29.30 1wmz n GLU 81 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1wmz n GLY 82 N 3.64 1.57 3.09 8.31 0.00 -1.26 -5.00 105.19 115.54 1wmz n GLY 82 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1wmz n GLY 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wmz s ASP 83 N -3.14 5.12 0.09 1.61 3.68 -0.58 -5.08 116.67 118.37 1wmz s ASP 83 Ca 0.00 -2.40 -0.30 0.00 2.13 0.00 0.00 52.55 51.98 1wmz s ASP 83 Cb 0.00 -1.80 -0.06 0.00 -1.45 0.00 0.00 42.92 39.61 1wmz s ASP 83 CO 0.00 -0.44 1.07 -0.36 0.13 0.00 0.00 175.17 175.57 1wmz s PHE 84 N 0.60 3.61 0.27 -5.34 0.08 -1.26 -4.52 117.98 111.42 1wmz s PHE 84 Ca 0.12 1.58 0.03 0.00 0.12 0.00 0.00 56.93 58.78 1wmz s PHE 84 Cb -0.22 -3.24 -0.06 0.00 -0.57 0.00 0.00 43.02 38.94 1wmz s PHE 84 CO -0.04 -0.50 0.04 0.96 -0.10 0.00 0.00 175.22 175.58 1wmz s ILE 85 N 0.43 0.99 -0.07 0.64 -4.36 -0.35 -4.88 121.20 113.61 1wmz s ILE 85 Ca 0.52 -2.02 -0.13 0.00 -0.26 0.00 0.00 60.65 58.76 1wmz s ILE 85 Cb -0.26 -2.57 -0.05 0.00 1.25 0.00 0.00 42.46 40.83 1wmz s ILE 85 CO 0.31 -0.14 0.33 0.26 0.24 0.00 0.00 174.94 175.94 1wmz s TRP 86 N -3.45 3.63 0.52 1.37 0.52 -1.26 -0.92 118.94 119.35 1wmz s TRP 86 Ca 0.33 0.81 0.17 0.00 0.02 0.00 0.00 56.10 57.43 1wmz s TRP 86 Cb 0.07 -2.24 1.28 0.00 -1.15 0.00 0.00 33.47 31.43 1wmz s TRP 86 CO 0.12 0.55 2.14 1.79 0.02 0.00 0.00 176.95 181.57 1wmz h THR 87 N 4.03 0.98 -0.00 2.01 1.35 -1.25 -2.41 112.91 117.62 1wmz h THR 87 Ca -0.49 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1wmz h THR 87 Cb 1.21 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1wmz h THR 87 CO 0.65 0.02 0.00 -0.90 -0.25 0.00 0.00 175.52 175.04 1wmz n ASP 88 N -4.46 0.20 0.00 5.36 3.85 -1.26 -4.91 116.55 115.32 1wmz n ASP 88 Ca -0.03 -1.12 0.00 0.00 -0.71 0.00 0.00 54.79 52.93 1wmz n ASP 88 Cb 0.11 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.88 1wmz n ASP 88 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1wmz n GLY 89 N 1.00 1.00 3.79 6.12 0.00 -0.91 -5.04 105.19 111.15 1wmz n GLY 89 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1wmz n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wmz s SER 90 N -3.03 5.03 0.33 1.61 1.04 -1.26 -4.98 113.70 112.43 1wmz s SER 90 Ca 0.00 1.80 -0.27 0.00 0.48 0.00 0.00 55.95 57.96 1wmz s SER 90 Cb 0.00 -2.52 -0.09 0.00 0.10 0.00 0.00 66.02 63.51 1wmz s SER 90 CO 0.00 -1.68 1.02 -0.54 0.98 0.00 0.00 173.24 173.02 1wmz s LYS 91 N -4.68 4.49 -0.53 4.02 -0.14 -1.26 -4.30 119.74 117.33 1wmz s LYS 91 Ca 0.62 1.54 -0.27 0.00 -1.36 0.00 0.00 55.97 56.50 1wmz s LYS 91 Cb -0.17 -2.88 0.03 0.00 -1.68 0.00 0.00 37.83 33.14 1wmz s LYS 91 CO 0.50 0.15 1.07 0.08 -0.76 0.00 0.00 175.35 176.40 1wmz s VAL 92 N -1.45 4.23 0.00 3.17 1.01 -1.26 -4.85 120.40 121.25 1wmz s VAL 92 Ca 0.50 0.79 0.00 0.00 0.00 0.00 0.00 61.98 63.27 1wmz s VAL 92 Cb -0.24 -4.60 0.00 0.00 0.00 0.00 0.00 36.38 31.53 1wmz s VAL 92 CO 0.31 -1.13 0.00 0.61 0.00 0.00 0.00 175.10 174.89 1wmz n GLY 93 N 5.01 -0.22 3.73 4.51 0.00 -1.26 -5.01 105.19 111.95 1wmz n GLY 93 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1wmz n GLY 93 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wmz n TYR 94 N -1.53 2.80 -4.15 1.61 9.36 -1.26 -5.04 117.16 118.95 1wmz n TYR 94 Ca 0.00 0.12 -0.10 0.00 3.32 0.00 0.00 57.90 61.23 1wmz n TYR 94 Cb 0.00 -2.65 -0.10 0.00 -0.63 0.00 0.00 39.34 35.96 1wmz n TYR 94 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 1wmz s THR 95 N 0.73 0.63 -0.38 2.97 -4.23 -1.26 -4.86 115.64 109.24 1wmz s THR 95 Ca 0.71 -1.82 0.12 0.00 -1.18 0.00 0.00 61.69 59.51 1wmz s THR 95 Cb -0.50 -1.54 0.35 0.00 1.34 0.00 0.00 72.50 72.15 1wmz s THR 95 CO 0.38 -0.83 0.81 1.17 -0.54 0.00 0.00 174.62 175.61 1wmz n LYS 96 N 0.15 0.99 -1.86 3.99 4.81 -1.26 -5.10 118.16 119.88 1wmz n LYS 96 Ca -0.14 -3.16 -0.41 0.00 -0.87 0.00 0.00 58.31 53.74 1wmz n LYS 96 Cb 0.60 -1.57 -0.01 0.00 0.02 0.00 0.00 35.03 34.07 1wmz n LYS 96 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1wmz s TRP 97 N -2.08 2.78 0.69 5.64 0.52 -1.26 -0.43 118.94 124.79 1wmz s TRP 97 Ca 0.36 0.99 -0.17 0.00 0.02 0.00 0.00 56.10 57.30 1wmz s TRP 97 Cb 0.35 -3.98 0.01 0.00 -1.15 0.00 0.00 33.47 28.70 1wmz s TRP 97 CO -0.07 -3.11 1.27 0.00 0.02 0.00 0.00 176.95 175.05 1wmz s ALA 98 N -0.41 2.24 0.13 0.98 0.00 -0.14 -4.64 121.76 119.92 1wmz s ALA 98 Ca 0.58 1.10 -0.35 0.00 0.00 0.00 0.00 51.96 53.30 1wmz s ALA 98 Cb -0.46 -3.53 -0.16 0.00 0.00 0.00 0.00 23.12 18.97 1wmz s ALA 98 CO 0.52 -1.76 1.34 0.41 0.00 0.00 0.00 175.76 176.26 1wmz n GLY 99 N 0.76 0.48 1.80 0.00 0.00 -1.26 -1.49 105.19 105.48 1wmz n GLY 99 Ca 0.15 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.81 1wmz n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wmz n GLY 100 N 2.51 1.55 3.59 -0.02 0.00 -1.26 -5.04 105.19 106.52 1wmz n GLY 100 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1wmz n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wmz s GLN 101 N -0.40 2.13 0.50 1.61 -1.52 -0.55 -4.08 119.66 117.35 1wmz s GLN 101 Ca 0.00 -1.24 -0.19 0.00 -1.95 0.00 0.00 55.36 51.98 1wmz s GLN 101 Cb 0.00 -2.20 -0.08 0.00 -0.22 0.00 0.00 33.01 30.51 1wmz s GLN 101 CO 0.00 0.44 1.03 -1.25 -0.25 0.00 0.00 175.29 175.26 1wmz s PRO 102 N -2.86 3.76 0.00 2.91 0.04 -1.26 -4.61 135.00 132.98 1wmz s PRO 102 Ca 0.25 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1wmz s PRO 102 Cb -0.09 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1wmz s PRO 102 CO 0.16 -0.45 0.34 -0.40 0.04 0.00 0.00 177.00 176.69 1wmz n ASP 103 N -1.20 0.68 -4.05 6.66 3.85 -1.26 -5.04 116.55 116.20 1wmz n ASP 103 Ca 0.09 -0.96 -0.27 0.00 -0.71 0.00 0.00 54.79 52.93 1wmz n ASP 103 Cb 0.53 0.05 -0.04 0.00 -1.35 0.00 0.00 41.12 40.31 1wmz n ASP 103 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1wmz n ASN 104 N -0.05 -0.34 -4.66 -1.12 5.15 -1.26 -4.80 115.26 108.18 1wmz n ASN 104 Ca 0.00 -1.06 -0.46 0.00 -0.60 0.00 0.00 54.58 52.46 1wmz n ASN 104 Cb 0.06 -2.74 -0.03 0.00 -0.53 0.00 0.00 39.78 36.54 1wmz n ASN 104 CO 0.00 0.00 0.00 1.87 1.40 0.00 0.00 177.26 180.53 1wmz n TRP 105 N -4.43 2.04 -1.90 1.20 -0.00 -1.26 -1.40 117.44 111.68 1wmz n TRP 105 Ca -0.28 0.46 -0.19 0.00 -0.00 0.00 0.00 57.50 57.49 1wmz n TRP 105 Cb 0.67 -2.44 -0.05 0.00 -0.00 0.00 0.00 31.31 29.49 1wmz n TRP 105 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1wmz n ASN 106 N 2.24 -5.30 -3.54 5.87 3.02 -1.26 -1.80 115.26 114.49 1wmz n ASN 106 Ca 0.13 0.30 -0.25 0.00 -0.03 0.00 0.00 54.58 54.72 1wmz n ASN 106 Cb 0.30 -4.60 -0.01 0.00 -0.61 0.00 0.00 39.78 34.86 1wmz n ASN 106 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1wmz n ASN 107 N -1.52 -3.30 -0.10 6.41 5.15 -0.49 -4.85 115.26 116.56 1wmz n ASN 107 Ca -0.21 -0.50 0.00 0.00 -0.60 0.00 0.00 54.58 53.28 1wmz n ASN 107 Cb 0.65 -2.75 0.00 0.00 -0.53 0.00 0.00 39.78 37.16 1wmz n ASN 107 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wmz n ALA 108 N -3.63 1.27 -3.43 5.20 0.00 -0.74 -5.04 120.51 114.13 1wmz n ALA 108 Ca 0.01 -0.65 -0.37 0.00 0.00 0.00 0.00 53.44 52.43 1wmz n ALA 108 Cb 0.52 -0.11 -0.13 0.00 0.00 0.00 0.00 19.45 19.74 1wmz n ALA 108 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1wmz s GLU 109 N -0.08 2.49 0.00 0.00 2.02 -1.23 -4.10 118.70 117.80 1wmz s GLU 109 Ca 0.00 -1.29 0.00 0.00 0.02 0.00 0.00 54.97 53.71 1wmz s GLU 109 Cb 0.00 -3.39 0.00 0.00 0.10 0.00 0.00 34.13 30.85 1wmz s GLU 109 CO 0.00 -0.70 0.67 -0.25 0.02 0.00 0.00 175.26 175.00 1wmz n ASP 110 N 4.73 1.09 -3.95 -0.19 8.00 -0.80 -4.44 116.55 120.99 1wmz n ASP 110 Ca -0.12 -1.45 -0.27 0.00 0.71 0.00 0.00 54.79 53.66 1wmz n ASP 110 Cb 0.44 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.37 1wmz n ASP 110 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1wmz s TYR 111 N -0.45 1.66 0.39 1.24 1.51 -0.82 -1.46 117.35 119.41 1wmz s TYR 111 Ca 0.00 -0.83 -0.17 0.00 -1.01 0.00 0.00 57.07 55.05 1wmz s TYR 111 Cb 0.00 -1.31 -0.10 0.00 -0.11 0.00 0.00 41.96 40.45 1wmz s TYR 111 CO 0.00 -0.52 0.84 0.20 -1.11 0.00 0.00 175.55 174.96 1wmz s GLY 112 N 1.52 2.31 -0.03 0.71 0.00 0.86 -0.51 107.32 112.17 1wmz s GLY 112 Ca 0.02 0.18 -0.27 0.00 0.00 0.00 0.00 44.72 44.65 1wmz s GLY 112 CO -0.07 0.42 0.59 -0.86 0.00 0.00 0.00 173.10 173.17 1wmz s GLN 113 N -3.21 0.97 0.30 2.90 -2.07 -0.43 -1.92 119.66 116.21 1wmz s GLN 113 Ca 0.57 0.12 -0.28 0.00 -1.82 0.00 0.00 55.36 53.96 1wmz s GLN 113 Cb -0.10 0.45 -0.09 0.00 -1.09 0.00 0.00 33.01 32.18 1wmz s GLN 113 CO 0.18 -0.30 1.06 -0.06 -1.32 0.00 0.00 175.29 174.84 1wmz s PHE 114 N -1.32 3.59 0.71 9.60 2.99 0.29 -0.76 117.98 133.08 1wmz s PHE 114 Ca -0.11 1.73 -0.11 0.00 0.00 0.00 0.00 56.93 58.43 1wmz s PHE 114 Cb -0.01 -3.19 0.02 0.00 0.00 0.00 0.00 43.02 39.84 1wmz s PHE 114 CO 0.08 -0.37 1.10 1.03 -0.00 0.00 0.00 175.22 177.05 1wmz s ARG 115 N -1.64 2.81 0.00 0.44 0.52 0.19 -1.57 118.95 119.70 1wmz s ARG 115 Ca 0.47 0.45 0.30 0.00 -0.52 0.00 0.00 55.73 56.43 1wmz s ARG 115 Cb -0.28 -2.02 1.52 0.00 0.52 0.00 0.00 34.95 34.69 1wmz s ARG 115 CO 0.36 -1.07 2.04 -2.39 0.02 0.00 0.00 175.30 174.27 1wmz n HIS 116 N -3.03 0.00 -3.83 -0.53 1.44 -0.92 -3.83 115.22 104.52 1wmz n HIS 116 Ca 0.07 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.56 1wmz n HIS 116 Cb 0.57 -0.27 -0.04 0.00 0.12 0.00 0.00 29.99 30.37 1wmz n HIS 116 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1wmz s THR 117 N -2.54 3.34 -1.50 0.61 -4.23 -1.26 -4.69 115.64 105.36 1wmz s THR 117 Ca 0.29 -1.42 -0.10 0.00 -1.18 0.00 0.00 61.69 59.28 1wmz s THR 117 Cb 0.20 -3.13 0.07 0.00 1.34 0.00 0.00 72.50 70.98 1wmz s THR 117 CO 0.45 -0.15 0.79 -0.62 -0.54 0.00 0.00 174.62 174.55 1wmz n GLU 118 N -1.36 -4.57 -1.65 3.99 1.02 -1.26 -1.64 120.64 115.17 1wmz n GLU 118 Ca -0.01 0.53 -0.13 0.00 -0.02 0.00 0.00 57.16 57.52 1wmz n GLU 118 Cb 0.60 -5.19 -0.04 0.00 -0.02 0.00 0.00 31.44 26.80 1wmz n GLU 118 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wmz n GLY 119 N -1.66 0.93 0.51 0.62 0.00 -1.26 -2.84 105.19 101.48 1wmz n GLY 119 Ca -0.08 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1wmz n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wmz n GLY 120 N -1.24 1.05 3.66 -0.02 0.00 -0.65 -4.80 105.19 103.19 1wmz n GLY 120 Ca -0.14 -0.26 -0.44 0.00 0.00 0.00 0.00 46.02 45.17 1wmz n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmz n ALA 121 N -1.17 0.89 -2.02 4.61 0.00 -1.09 -3.96 120.51 117.77 1wmz n ALA 121 Ca 0.00 0.39 -0.33 0.00 0.00 0.00 0.00 53.44 53.50 1wmz n ALA 121 Cb 0.04 -2.22 -0.06 0.00 0.00 0.00 0.00 19.45 17.21 1wmz n ALA 121 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1wmz s TRP 122 N -0.62 3.41 0.03 0.00 0.51 0.43 -0.64 118.94 122.06 1wmz s TRP 122 Ca 0.62 1.39 0.02 0.00 -2.12 0.00 0.00 56.10 56.01 1wmz s TRP 122 Cb -0.64 -2.66 -0.02 0.00 -0.81 0.00 0.00 33.47 29.34 1wmz s TRP 122 CO 0.56 0.07 -0.07 1.21 -0.51 0.00 0.00 176.95 178.22 1wmz s ASN 123 N -2.12 0.78 -0.05 2.95 2.47 0.06 -0.96 114.94 118.07 1wmz s ASN 123 Ca 0.55 -0.43 -0.14 0.00 0.42 0.00 0.00 52.86 53.25 1wmz s ASN 123 Cb -0.11 0.01 -0.05 0.00 -1.45 0.00 0.00 41.25 39.65 1wmz s ASN 123 CO 0.17 -0.14 0.37 1.51 -3.72 0.00 0.00 177.10 175.29 1wmz s ASP 124 N -1.20 6.69 0.28 -4.21 -4.77 -1.26 -1.31 116.67 110.89 1wmz s ASP 124 Ca -0.07 0.82 0.02 0.00 -3.30 0.00 0.00 52.55 50.03 1wmz s ASP 124 Cb -0.08 -2.23 -0.04 0.00 -1.09 0.00 0.00 42.92 39.48 1wmz s ASP 124 CO 0.00 0.26 0.15 0.21 0.70 0.00 0.00 175.17 176.49 1wmz s ASN 125 N -0.63 1.30 0.71 2.11 3.84 0.34 -4.86 114.94 117.75 1wmz s ASN 125 Ca 0.22 -1.50 -0.04 0.00 0.21 0.00 0.00 52.86 51.74 1wmz s ASN 125 Cb -0.15 0.34 0.10 0.00 -0.55 0.00 0.00 41.25 40.98 1wmz s ASN 125 CO 0.11 -0.85 1.00 -0.94 -2.79 0.00 0.00 177.10 173.62 1wmz s SER 126 N -3.33 4.52 0.19 -4.21 1.04 -1.26 -1.91 113.70 108.73 1wmz s SER 126 Ca 0.37 0.04 0.23 0.00 0.48 0.00 0.00 55.95 57.07 1wmz s SER 126 Cb 0.06 -0.56 0.90 0.00 0.10 0.00 0.00 66.02 66.52 1wmz s SER 126 CO 0.16 -1.75 1.70 0.00 0.98 0.00 0.00 173.24 174.33 1wmz n ALA 127 N -2.88 1.84 0.04 5.32 0.00 -1.26 -2.85 120.51 120.71 1wmz n ALA 127 Ca 0.11 0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.65 1wmz n ALA 127 Cb 0.60 -1.38 -0.08 0.00 0.00 0.00 0.00 19.45 18.59 1wmz n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wmz n ALA 128 N -1.71 2.40 -1.49 0.00 0.00 -1.26 -4.68 120.51 113.77 1wmz n ALA 128 Ca 0.03 -0.46 -0.35 0.00 0.00 0.00 0.00 53.44 52.67 1wmz n ALA 128 Cb 0.27 -0.91 0.08 0.00 0.00 0.00 0.00 19.45 18.88 1wmz n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wmz s ALA 129 N -3.25 2.25 0.01 0.00 0.00 -1.13 -4.93 121.76 114.71 1wmz s ALA 129 Ca -0.04 0.92 0.05 0.00 0.00 0.00 0.00 51.96 52.90 1wmz s ALA 129 Cb 0.10 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1wmz s ALA 129 CO 0.83 -1.67 -0.14 -0.65 0.00 0.00 0.00 175.76 174.13 1wmz s GLN 130 N -3.75 2.28 0.23 0.00 -0.21 -1.26 -4.16 119.66 112.78 1wmz s GLN 130 Ca 0.75 -0.86 -0.17 0.00 0.02 0.00 0.00 55.36 55.11 1wmz s GLN 130 Cb -0.30 -2.30 0.02 0.00 1.00 0.00 0.00 33.01 31.43 1wmz s GLN 130 CO 0.42 0.57 0.55 0.00 -2.12 0.00 0.00 175.29 174.71 1wmz s ALA 131 N -0.90 -0.81 1.00 6.09 0.00 -0.24 -4.80 121.76 122.10 1wmz s ALA 131 Ca 0.15 -0.42 -0.15 0.00 0.00 0.00 0.00 51.96 51.54 1wmz s ALA 131 Cb -0.11 0.91 0.19 0.00 0.00 0.00 0.00 23.12 24.12 1wmz s ALA 131 CO 0.05 -0.87 1.16 0.15 0.00 0.00 0.00 175.76 176.25 1wmz s LYS 132 N -3.92 0.37 0.10 0.00 -0.14 -0.80 -1.03 119.74 114.31 1wmz s LYS 132 Ca 0.13 0.08 -0.09 0.00 -1.36 0.00 0.00 55.97 54.73 1wmz s LYS 132 Cb -0.02 -1.77 0.00 0.00 -1.68 0.00 0.00 37.83 34.36 1wmz s LYS 132 CO 0.02 -2.68 0.22 1.52 -0.76 0.00 0.00 175.35 173.67 1wmz s TYR 133 N -3.30 0.15 -0.01 3.18 1.13 -1.12 -0.54 117.35 116.83 1wmz s TYR 133 Ca 0.68 -0.56 0.01 0.00 -1.41 0.00 0.00 57.07 55.79 1wmz s TYR 133 Cb -0.12 -0.03 0.00 0.00 -1.10 0.00 0.00 41.96 40.72 1wmz s TYR 133 CO 0.54 -0.58 -0.04 1.41 -2.51 0.00 0.00 175.55 174.37 1wmz s MET 134 N -3.87 0.42 0.28 -3.49 1.75 -1.25 -1.48 119.30 111.66 1wmz s MET 134 Ca 0.06 -0.13 0.08 0.00 -1.25 0.00 0.00 55.69 54.45 1wmz s MET 134 Cb 0.04 -0.43 -0.04 0.00 2.84 0.00 0.00 34.83 37.25 1wmz s MET 134 CO -0.10 0.05 0.14 0.00 -0.65 0.00 0.00 175.02 174.46 1wmz s LYS 136 N -3.81 0.09 -0.10 0.00 2.20 -0.21 -1.64 119.74 116.26 1wmz s LYS 136 Ca 0.34 0.22 -0.08 0.00 -0.36 0.00 0.00 55.97 56.09 1wmz s LYS 136 Cb -0.06 -0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.15 1wmz s LYS 136 CO 0.23 -0.08 0.18 -0.51 -0.36 0.00 0.00 175.35 174.81 1wmz s LEU 137 N 0.56 4.40 -0.11 5.43 1.43 0.59 -2.11 118.68 128.86 1wmz s LEU 137 Ca -0.04 0.54 0.02 0.00 -1.03 0.00 0.00 54.13 53.62 1wmz s LEU 137 Cb -0.06 -2.15 0.01 0.00 0.03 0.00 0.00 46.19 44.03 1wmz s LEU 137 CO -0.02 0.39 -0.17 -0.89 0.23 0.00 0.00 176.35 175.89 1wmz s THR 138 N -1.02 1.64 -0.41 5.49 2.01 0.14 -3.55 115.64 119.92 1wmz s THR 138 Ca 0.16 -0.73 -0.17 0.00 0.31 0.00 0.00 61.69 61.27 1wmz s THR 138 Cb -0.13 -1.48 0.02 0.00 0.01 0.00 0.00 72.50 70.92 1wmz s THR 138 CO 0.05 0.47 0.40 -0.36 -0.69 0.00 0.00 174.62 174.49 1wmz s PHE 139 N 0.92 3.19 -2.45 4.92 0.40 -1.26 -0.86 117.98 122.84 1wmz s PHE 139 Ca -0.07 -0.42 0.20 0.00 -0.60 0.00 0.00 56.93 56.03 1wmz s PHE 139 Cb -0.15 -2.80 0.16 0.00 0.51 0.00 0.00 43.02 40.73 1wmz s PHE 139 CO -0.01 -0.66 1.12 0.39 0.70 0.00 0.00 175.22 176.76