#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 3.48 -2.25 1.20 3.00 -1.26 -5.02 117.38 116.53 1wmz n GLN 2 Ca 0.00 -2.91 -0.35 0.00 -0.01 0.00 0.00 57.00 53.74 1wmz n GLN 2 Cb 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 30.24 28.30 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 -1.38 0.49 -1.70 0.00 -0.02 -1.26 -4.87 135.00 126.26 1wmz n PRO 4 Ca 0.11 0.21 -0.40 0.00 -2.02 0.00 0.00 63.50 61.40 1wmz n PRO 4 Cb 0.51 -2.06 0.02 0.00 -0.02 0.00 0.00 33.50 31.95 1wmz n PRO 4 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1wmz n THR 5 N -2.33 2.78 -0.48 3.45 -2.24 -1.26 -2.00 114.28 112.20 1wmz n THR 5 Ca 0.12 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1wmz n THR 5 Cb 0.49 -1.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 1wmz n THR 5 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1wmz n ASP 6 N 0.01 0.00 -4.76 3.42 8.00 -1.26 -5.03 116.55 116.93 1wmz n ASP 6 Ca 0.08 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.27 1wmz n ASP 6 Cb 0.41 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.44 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 -3.42 3.15 -0.09 1.24 0.52 -0.85 -4.84 118.94 114.65 1wmz s TRP 7 Ca 0.00 0.06 -0.04 0.00 0.02 0.00 0.00 56.10 56.14 1wmz s TRP 7 Cb 0.00 -1.61 -0.04 0.00 -1.15 0.00 0.00 33.47 30.68 1wmz s TRP 7 CO 0.00 0.51 0.07 -1.21 0.02 0.00 0.00 176.95 176.34 1wmz s GLU 8 N -2.35 3.18 -0.13 4.98 0.41 0.34 -4.78 118.70 120.34 1wmz s GLU 8 Ca 0.28 -0.31 -0.12 0.00 -0.41 0.00 0.00 54.97 54.42 1wmz s GLU 8 Cb -0.12 -2.96 -0.05 0.00 -1.78 0.00 0.00 34.13 29.22 1wmz s GLU 8 CO 0.21 0.73 0.25 0.00 -0.49 0.00 0.00 175.26 175.95 1wmz s ALA 9 N -0.99 3.68 -0.22 5.21 0.00 -1.26 -0.56 121.76 127.62 1wmz s ALA 9 Ca 0.16 -0.50 -0.05 0.00 0.00 0.00 0.00 51.96 51.57 1wmz s ALA 9 Cb -0.12 -2.26 0.11 0.00 0.00 0.00 0.00 23.12 20.85 1wmz s ALA 9 CO 0.05 0.27 0.39 -2.00 0.00 0.00 0.00 175.76 174.47 1wmz s GLU 10 N -0.10 0.33 6.61 0.00 2.56 -0.86 -4.99 118.70 122.24 1wmz s GLU 10 Ca 0.16 0.77 0.00 0.00 0.00 0.00 0.00 54.97 55.90 1wmz s GLU 10 Cb -0.13 -0.09 0.00 0.00 2.00 0.00 0.00 34.13 35.91 1wmz s GLU 10 CO 0.04 -0.45 0.00 0.41 -0.56 0.00 0.00 175.26 174.70 1wmz n GLY 11 N 5.38 2.48 0.33 -1.50 0.00 -1.26 -2.01 105.19 108.61 1wmz n GLY 11 Ca -0.06 -0.38 0.04 0.00 0.00 0.00 0.00 46.02 45.62 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 4.07 0.95 -4.31 1.61 8.00 -1.26 -4.92 116.55 120.70 1wmz n ASP 12 Ca 0.00 -1.96 -0.16 0.00 0.71 0.00 0.00 54.79 53.38 1wmz n ASP 12 Cb 0.00 -0.11 -0.10 0.00 -0.02 0.00 0.00 41.12 40.88 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 -1.77 1.50 0.10 1.24 3.76 -0.85 -4.65 115.29 114.61 1wmz s HIS 13 Ca 0.14 -1.05 0.10 0.00 -0.15 0.00 0.00 55.06 54.09 1wmz s HIS 13 Cb 0.07 -0.88 -0.04 0.00 1.11 0.00 0.00 32.58 32.84 1wmz s HIS 13 CO 0.10 -0.20 -0.25 0.00 -0.85 0.00 0.00 174.74 173.54 1wmz s TYR 15 N -0.99 1.18 -0.11 0.00 1.51 0.28 -0.31 117.35 118.90 1wmz s TYR 15 Ca 0.12 -0.44 -0.05 0.00 -1.01 0.00 0.00 57.07 55.69 1wmz s TYR 15 Cb -0.10 -0.67 0.06 0.00 -0.11 0.00 0.00 41.96 41.14 1wmz s TYR 15 CO 0.04 0.04 0.24 0.50 -1.11 0.00 0.00 175.55 175.27 1wmz s ARG 16 N -1.63 0.14 -0.07 -0.62 3.52 -0.28 -0.51 118.95 119.50 1wmz s ARG 16 Ca -0.02 0.65 -0.20 0.00 -0.13 0.00 0.00 55.73 56.03 1wmz s ARG 16 Cb -0.10 -0.10 -0.04 0.00 -1.56 0.00 0.00 34.95 33.15 1wmz s ARG 16 CO 0.02 -0.25 0.56 0.12 -0.81 0.00 0.00 175.30 174.94 1wmz s PHE 17 N 2.03 3.58 -0.30 5.12 5.36 -1.26 -1.16 117.98 131.34 1wmz s PHE 17 Ca -0.02 1.06 -0.04 0.00 -0.96 0.00 0.00 56.93 56.97 1wmz s PHE 17 Cb -0.12 -2.63 0.03 0.00 -0.34 0.00 0.00 43.02 39.97 1wmz s PHE 17 CO -0.08 0.20 0.04 -0.06 -1.46 0.00 0.00 175.22 173.87 1wmz s PHE 18 N 0.43 3.20 -1.36 10.12 0.08 -0.46 -5.02 117.98 124.98 1wmz s PHE 18 Ca 0.30 -1.46 -0.07 0.00 0.12 0.00 0.00 56.93 55.83 1wmz s PHE 18 Cb -0.17 -2.19 0.10 0.00 -0.57 0.00 0.00 43.02 40.20 1wmz s PHE 18 CO 0.14 -0.71 2.37 -1.71 -0.10 0.00 0.00 175.22 175.21 1wmz n ASN 19 N 4.75 7.62 -3.73 1.36 5.15 -1.26 -2.91 115.26 126.25 1wmz n ASN 19 Ca -0.14 -3.07 -0.17 0.00 -0.60 0.00 0.00 54.58 50.60 1wmz n ASN 19 Cb 0.45 -1.41 -0.17 0.00 -0.53 0.00 0.00 39.78 38.13 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 -0.46 -0.07 0.13 -0.44 2.01 -1.26 -5.08 115.64 110.47 1wmz s THR 20 Ca 0.54 0.31 -0.31 0.00 0.31 0.00 0.00 61.69 62.54 1wmz s THR 20 Cb 0.17 -0.12 -0.08 0.00 0.01 0.00 0.00 72.50 72.48 1wmz s THR 20 CO -0.08 0.13 1.31 -0.76 -0.69 0.00 0.00 174.62 174.53 1wmz s LEU 21 N 1.57 4.39 0.37 4.42 1.43 -1.26 -4.12 118.68 125.48 1wmz s LEU 21 Ca -0.03 2.27 -0.14 0.00 -1.03 0.00 0.00 54.13 55.20 1wmz s LEU 21 Cb -0.13 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.54 1wmz s LEU 21 CO -0.03 -0.55 0.72 0.28 0.23 0.00 0.00 176.35 177.00 1wmz s THR 22 N 0.71 0.00 0.68 5.49 -1.32 -0.32 -4.87 115.64 116.01 1wmz s THR 22 Ca 0.60 -1.12 -0.11 0.00 -1.21 0.00 0.00 61.69 59.85 1wmz s THR 22 Cb -0.35 -2.76 -0.00 0.00 -1.51 0.00 0.00 72.50 67.88 1wmz s THR 22 CO 0.33 0.00 1.07 0.42 -2.21 0.00 0.00 174.62 174.23 1wmz s THR 23 N -2.59 3.88 0.14 5.08 -4.23 -1.26 -1.32 115.64 115.33 1wmz s THR 23 Ca 0.18 0.61 -0.17 0.00 -1.18 0.00 0.00 61.69 61.13 1wmz s THR 23 Cb -0.04 -3.58 -0.01 0.00 1.34 0.00 0.00 72.50 70.20 1wmz s THR 23 CO 0.13 -0.80 1.76 -0.25 -0.54 0.00 0.00 174.62 174.92 1wmz h TRP 24 N -0.57 0.48 -0.97 3.99 7.01 -1.86 -0.12 115.95 123.91 1wmz h TRP 24 Ca -0.45 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 60.57 1wmz h TRP 24 Cb 1.23 -0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 28.09 1wmz h TRP 24 CO 0.55 0.36 0.64 0.93 -2.79 0.00 0.00 178.44 178.13 1wmz h GLU 25 N 0.46 1.24 -0.28 2.65 4.39 -1.94 0.60 114.58 121.70 1wmz h GLU 25 Ca 0.13 -0.07 -0.18 0.00 0.34 0.00 0.00 59.36 59.58 1wmz h GLU 25 Cb 0.03 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 28.40 1wmz h GLU 25 CO -0.02 0.82 -0.51 -0.97 -1.16 0.00 0.00 179.01 177.17 1wmz h ASN 26 N 1.28 0.93 -0.42 1.42 -1.24 -1.87 -1.34 115.58 114.35 1wmz h ASN 26 Ca 0.37 -0.53 0.04 0.00 0.71 0.00 0.00 56.30 56.89 1wmz h ASN 26 Cb -0.10 -0.27 -0.04 0.00 0.73 0.00 0.00 38.32 38.64 1wmz h ASN 26 CO -0.09 1.29 0.18 0.00 -1.29 0.00 0.00 177.43 177.51 1wmz h ALA 27 N 0.67 0.51 -0.01 1.57 0.00 -0.65 0.25 119.26 121.61 1wmz h ALA 27 Ca 0.01 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1wmz h ALA 27 Cb 1.12 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1wmz h ALA 27 CO 0.12 -0.20 -0.10 1.25 0.00 0.00 0.00 179.25 180.32 1wmz h HIS 28 N 0.36 -0.24 -0.40 0.00 -0.00 -0.72 -1.12 115.15 113.04 1wmz h HIS 28 Ca 0.19 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.61 1wmz h HIS 28 Cb 0.14 0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 27.62 1wmz h HIS 28 CO -0.13 -0.15 0.17 1.25 -0.00 0.00 0.00 177.93 179.07 1wmz h HIS 29 N -0.16 0.31 -0.24 5.26 6.17 -0.89 -1.21 115.15 124.39 1wmz h HIS 29 Ca 0.04 0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.15 1wmz h HIS 29 Cb 0.21 -0.08 -0.02 0.00 2.52 0.00 0.00 27.41 30.04 1wmz h HIS 29 CO -0.17 0.14 0.12 0.93 0.71 0.00 0.00 177.93 179.67 1wmz h GLU 30 N 0.35 0.24 -0.44 5.26 4.39 -0.68 -1.98 114.58 121.72 1wmz h GLU 30 Ca 0.18 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 1wmz h GLU 30 Cb 0.12 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1wmz h GLU 30 CO -0.15 0.16 0.16 0.00 -1.16 0.00 0.00 179.01 178.02 1wmz h VAL 32 N 0.57 0.88 0.00 0.00 2.07 -1.03 -2.91 116.25 115.83 1wmz h VAL 32 Ca 0.15 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1wmz h VAL 32 Cb 0.22 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1wmz h VAL 32 CO -0.01 0.17 -0.03 0.77 0.02 0.00 0.00 177.57 178.48 1wmz h SER 33 N 0.00 0.00 1.06 0.57 4.64 -1.12 -1.30 113.55 117.40 1wmz h SER 33 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wmz h SER 33 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1wmz h SER 33 CO 0.02 0.03 0.00 -1.22 -0.87 0.00 0.00 176.83 174.80 1wmz n TYR 34 N -3.59 0.53 -1.67 4.77 4.02 -1.10 -4.94 117.16 115.18 1wmz n TYR 34 Ca -0.03 0.17 -0.39 0.00 -0.01 0.00 0.00 57.90 57.64 1wmz n TYR 34 Cb 0.13 -0.78 0.04 0.00 -0.02 0.00 0.00 39.34 38.71 1wmz n TYR 34 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1wmz n SER 35 N -1.94 1.72 -3.83 7.72 7.64 -0.49 -4.80 113.62 119.64 1wmz n SER 35 Ca 0.05 0.95 -0.30 0.00 1.01 0.00 0.00 58.87 60.58 1wmz n SER 35 Cb 0.33 -1.46 -0.14 0.00 -1.01 0.00 0.00 64.21 61.94 1wmz n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wmz h SER 37 N 6.85 0.59 0.06 0.00 0.87 -1.94 -0.75 113.55 119.22 1wmz h SER 37 Ca -0.05 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1wmz h SER 37 Cb 0.93 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1wmz h SER 37 CO 0.56 0.44 -0.03 0.71 -0.53 0.00 0.00 176.83 177.98 1wmz h THR 38 N 0.69 0.71 -0.40 2.23 1.35 -1.95 -2.05 112.91 113.49 1wmz h THR 38 Ca 0.18 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 1wmz h THR 38 Cb -0.05 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1wmz h THR 38 CO -0.04 0.03 0.00 0.18 -0.25 0.00 0.00 175.52 175.44 1wmz n LEU 39 N -4.06 3.09 -3.92 3.87 4.77 -1.00 -4.99 117.00 114.77 1wmz n LEU 39 Ca -0.03 -1.84 -0.29 0.00 -0.03 0.00 0.00 56.01 53.82 1wmz n LEU 39 Cb 0.11 -0.26 0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1wmz n LEU 39 CO 0.30 0.75 0.04 0.59 -1.33 0.00 0.00 177.39 177.74 1wmz n ASN 40 N 0.87 -3.75 -4.44 -1.43 3.02 -0.77 -4.78 115.26 103.99 1wmz n ASN 40 Ca 0.15 -0.83 -0.40 0.00 -0.03 0.00 0.00 54.58 53.46 1wmz n ASN 40 Cb 0.47 -3.72 -0.11 0.00 -0.61 0.00 0.00 39.78 35.81 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 -3.40 4.80 -0.03 2.41 1.01 -0.34 -1.01 120.40 123.84 1wmz s VAL 41 Ca 0.52 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.67 1wmz s VAL 41 Cb -0.27 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1wmz s VAL 41 CO 0.84 -0.10 0.85 -0.60 0.00 0.00 0.00 175.10 176.09 1wmz s ARG 42 N 1.62 4.50 -0.10 2.72 3.52 -0.53 -1.04 118.95 129.63 1wmz s ARG 42 Ca 0.04 1.17 -0.01 0.00 -0.13 0.00 0.00 55.73 56.80 1wmz s ARG 42 Cb -0.18 -3.46 -0.03 0.00 -1.56 0.00 0.00 34.95 29.72 1wmz s ARG 42 CO 0.08 -0.01 -0.04 0.45 -0.81 0.00 0.00 175.30 174.97 1wmz s SER 43 N 0.92 4.84 0.25 -2.12 0.15 -1.26 -0.81 113.70 115.67 1wmz s SER 43 Ca 0.45 -0.02 -0.19 0.00 0.70 0.00 0.00 55.95 56.89 1wmz s SER 43 Cb -0.19 -1.47 0.02 0.00 -1.71 0.00 0.00 66.02 62.67 1wmz s SER 43 CO 0.23 0.29 0.64 -0.62 1.20 0.00 0.00 173.24 174.99 1wmz s ASP 44 N -0.39 -0.26 0.54 5.45 3.68 -0.77 -3.57 116.67 121.35 1wmz s ASP 44 Ca 0.06 -0.59 -0.22 0.00 2.13 0.00 0.00 52.55 53.93 1wmz s ASP 44 Cb -0.12 0.67 -0.05 0.00 -1.45 0.00 0.00 42.92 41.97 1wmz s ASP 44 CO 0.02 -1.24 1.37 0.18 0.13 0.00 0.00 175.17 175.63 1wmz n LEU 45 N -0.42 5.57 -4.74 -1.34 4.77 -1.26 -0.66 117.00 118.92 1wmz n LEU 45 Ca -0.06 0.98 -0.42 0.00 -0.03 0.00 0.00 56.01 56.49 1wmz n LEU 45 Cb 0.61 -1.58 -0.02 0.00 -2.33 0.00 0.00 43.42 40.09 1wmz n LEU 45 CO 0.16 -0.55 1.24 0.54 -1.33 0.00 0.00 177.39 177.46 1wmz s VAL 46 N -1.28 2.26 0.07 4.08 0.11 -0.82 -4.25 120.40 120.57 1wmz s VAL 46 Ca 0.71 0.20 0.03 0.00 -2.93 0.00 0.00 61.98 60.00 1wmz s VAL 46 Cb -0.42 -3.13 -0.04 0.00 -1.53 0.00 0.00 36.38 31.26 1wmz s VAL 46 CO 0.49 0.03 0.04 -0.94 -3.33 0.00 0.00 175.10 171.39 1wmz s SER 47 N 0.71 5.31 -0.15 3.54 1.04 -1.26 -0.69 113.70 122.21 1wmz s SER 47 Ca 0.66 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 57.03 1wmz s SER 47 Cb -0.46 -1.37 0.02 0.00 0.10 0.00 0.00 66.02 64.31 1wmz s SER 47 CO 0.41 0.19 -0.13 -0.69 0.98 0.00 0.00 173.24 174.00 1wmz s VAL 48 N -1.32 1.49 -0.04 5.02 1.01 -1.26 -5.01 120.40 120.29 1wmz s VAL 48 Ca 0.27 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1wmz s VAL 48 Cb -0.12 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.84 1wmz s VAL 48 CO 0.19 0.41 0.92 1.41 0.00 0.00 0.00 175.10 178.03 1wmz n HIS 49 N 4.79 0.02 -3.51 5.22 8.25 -1.26 -4.64 115.22 124.09 1wmz n HIS 49 Ca -0.16 -0.41 -0.09 0.00 -0.26 0.00 0.00 57.72 56.80 1wmz n HIS 49 Cb 0.50 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.55 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 -0.82 -0.43 0.31 0.41 1.04 -1.26 -4.40 113.70 108.55 1wmz s SER 50 Ca 0.01 -0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.40 1wmz s SER 50 Cb 0.00 0.50 0.58 0.00 0.10 0.00 0.00 66.02 67.20 1wmz s SER 50 CO 0.01 -0.82 1.91 0.00 0.98 0.00 0.00 173.24 175.31 1wmz h ALA 51 N 2.00 1.56 -0.60 5.32 0.00 -1.98 -0.70 119.26 124.87 1wmz h ALA 51 Ca -0.27 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1wmz h ALA 51 Cb 1.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1wmz h ALA 51 CO 0.33 0.29 0.14 0.00 0.00 0.00 0.00 179.25 180.01 1wmz h ALA 52 N 1.53 0.79 -0.46 0.00 0.00 -1.99 -0.87 119.26 118.26 1wmz h ALA 52 Ca 0.39 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1wmz h ALA 52 Cb 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1wmz h ALA 52 CO -0.15 0.51 -0.07 1.49 0.00 0.00 0.00 179.25 181.02 1wmz h GLU 53 N 0.88 0.86 -0.40 0.00 4.81 -1.86 -0.95 114.58 117.91 1wmz h GLU 53 Ca 0.19 -0.31 0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1wmz h GLU 53 Cb 0.36 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 1wmz h GLU 53 CO 0.00 0.94 0.13 0.37 -0.73 0.00 0.00 179.01 179.72 1wmz h GLN 54 N 0.70 0.27 -0.56 1.92 5.75 -0.94 -0.80 115.11 121.45 1wmz h GLN 54 Ca 0.12 -0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 58.50 1wmz h GLN 54 Cb 0.61 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.08 1wmz h GLN 54 CO 0.04 0.18 -0.06 0.00 -2.65 0.00 0.00 178.83 176.34 1wmz h ALA 55 N 1.27 0.76 0.05 3.38 0.00 -0.97 -0.42 119.26 123.32 1wmz h ALA 55 Ca 0.19 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1wmz h ALA 55 Cb 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1wmz h ALA 55 CO -0.21 0.64 -0.02 -0.92 0.00 0.00 0.00 179.25 178.74 1wmz h TYR 56 N 0.90 -0.06 -0.20 0.00 5.03 -0.89 0.11 116.97 121.86 1wmz h TYR 56 Ca 0.15 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.47 1wmz h TYR 56 Cb 0.62 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.91 1wmz h TYR 56 CO 0.04 0.02 0.11 0.28 -1.32 0.00 0.00 178.16 177.29 1wmz h VAL 57 N -0.11 1.01 -0.12 1.81 2.07 -1.02 0.70 116.25 120.59 1wmz h VAL 57 Ca -0.01 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1wmz h VAL 57 Cb 0.10 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1wmz h VAL 57 CO 0.01 0.04 0.06 0.15 0.02 0.00 0.00 177.57 177.85 1wmz h PHE 58 N 0.23 0.16 -0.63 1.57 3.57 -0.99 -1.54 116.94 119.32 1wmz h PHE 58 Ca 0.08 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 1wmz h PHE 58 Cb 0.01 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 1wmz h PHE 58 CO -0.09 0.20 0.12 -0.91 -2.23 0.00 0.00 178.31 175.40 1wmz h ASN 59 N 0.08 0.95 0.25 0.41 2.35 -0.65 0.33 115.58 119.30 1wmz h ASN 59 Ca 0.04 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 1wmz h ASN 59 Cb 0.09 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 1wmz h ASN 59 CO -0.01 0.93 -0.14 0.22 -1.65 0.00 0.00 177.43 176.79 1wmz h TYR 60 N 0.95 -0.36 0.01 1.19 3.20 -0.78 -0.70 116.97 120.48 1wmz h TYR 60 Ca 0.20 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.09 1wmz h TYR 60 Cb 0.38 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.73 1wmz h TYR 60 CO 0.03 -0.22 -0.25 2.35 -1.64 0.00 0.00 178.16 178.42 1wmz h TRP 61 N -0.37 -0.68 0.00 -3.82 7.01 -1.02 -2.96 115.95 114.11 1wmz h TRP 61 Ca -0.03 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.99 1wmz h TRP 61 Cb 0.30 0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.66 1wmz h TRP 61 CO -0.08 -0.35 0.00 0.00 -2.79 0.00 0.00 178.44 175.22 1wmz h ARG 62 N -0.40 0.00 0.00 2.65 2.47 -0.90 0.38 114.38 118.58 1wmz h ARG 62 Ca 0.06 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 1wmz h ARG 62 Cb 0.48 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1wmz h ARG 62 CO -0.22 0.00 -0.15 0.78 0.56 0.00 0.00 179.97 180.95 1wmz h GLY 63 N 3.37 0.00 0.00 0.04 0.00 -0.95 -3.32 103.07 102.21 1wmz h GLY 63 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 1wmz h GLY 63 CO 0.00 0.00 -2.14 1.39 0.00 0.00 0.00 176.54 175.79 1wmz n ILE 64 N -3.40 1.15 -4.00 2.60 5.41 -0.67 -4.95 119.36 115.49 1wmz n ILE 64 Ca -0.01 -0.46 -0.31 0.00 1.00 0.00 0.00 62.75 62.98 1wmz n ILE 64 Cb 0.33 -1.17 -0.16 0.00 -0.71 0.00 0.00 39.64 37.94 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 -5.88 3.69 -0.15 4.38 3.68 0.04 -4.98 116.67 117.46 1wmz s ASP 65 Ca -0.26 -1.05 0.16 0.00 2.13 0.00 0.00 52.55 53.53 1wmz s ASP 65 Cb 0.07 -1.28 0.47 0.00 -1.45 0.00 0.00 42.92 40.72 1wmz s ASP 65 CO 0.48 -0.17 1.36 -1.54 0.13 0.00 0.00 175.17 175.43 1wmz n SER 66 N 4.63 3.57 -4.76 -0.34 3.41 -1.26 -4.19 113.62 114.68 1wmz n SER 66 Ca -0.14 -2.86 -0.37 0.00 -0.26 0.00 0.00 58.87 55.24 1wmz n SER 66 Cb 0.45 -0.48 0.03 0.00 -0.26 0.00 0.00 64.21 63.95 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 -2.54 3.19 0.24 4.33 -0.21 -1.26 -4.97 119.66 118.44 1wmz s GLN 67 Ca 0.38 1.95 -0.31 0.00 0.02 0.00 0.00 55.36 57.40 1wmz s GLN 67 Cb 0.30 -2.14 -0.11 0.00 1.00 0.00 0.00 33.01 32.06 1wmz s GLN 67 CO 0.09 -1.06 1.54 0.00 -2.12 0.00 0.00 175.29 173.74 1wmz s ALA 68 N -1.48 3.72 0.00 6.09 0.00 -1.26 -4.85 121.76 123.98 1wmz s ALA 68 Ca 0.73 1.43 0.00 0.00 0.00 0.00 0.00 51.96 54.12 1wmz s ALA 68 Cb -0.33 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.18 1wmz s ALA 68 CO 0.38 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.72 1wmz n GLY 69 N 2.71 -0.71 3.44 0.00 0.00 -1.26 -5.09 105.19 104.27 1wmz n GLY 69 Ca 0.10 -1.40 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.00 1.60 -0.14 1.61 1.11 -1.26 -2.17 119.66 118.41 1wmz s GLN 70 Ca 0.00 -1.85 -0.01 0.00 0.01 0.00 0.00 55.36 53.51 1wmz s GLN 70 Cb 0.00 -0.97 0.03 0.00 -1.01 0.00 0.00 33.01 31.07 1wmz s GLN 70 CO 0.00 -0.10 -0.06 -1.17 0.01 0.00 0.00 175.29 173.97 1wmz s LEU 71 N -3.46 1.36 0.35 2.90 2.96 -0.62 -1.73 118.68 120.44 1wmz s LEU 71 Ca 0.33 -0.47 -0.28 0.00 -0.22 0.00 0.00 54.13 53.49 1wmz s LEU 71 Cb 0.07 -0.86 -0.10 0.00 0.50 0.00 0.00 46.19 45.80 1wmz s LEU 71 CO 0.14 -0.15 1.34 0.26 -1.32 0.00 0.00 176.35 176.62 1wmz s TRP 72 N 1.68 2.91 0.39 5.38 0.23 0.71 -0.26 118.94 129.99 1wmz s TRP 72 Ca 0.03 1.36 0.04 0.00 -2.03 0.00 0.00 56.10 55.51 1wmz s TRP 72 Cb -0.14 -3.75 -0.05 0.00 0.03 0.00 0.00 33.47 29.56 1wmz s TRP 72 CO -0.08 -2.13 0.05 0.96 0.96 0.00 0.00 176.95 176.71 1wmz s ILE 73 N -1.16 1.31 -0.43 2.03 -4.36 -0.80 -3.78 121.20 114.01 1wmz s ILE 73 Ca 0.51 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.92 1wmz s ILE 73 Cb -0.41 -2.70 0.20 0.00 1.25 0.00 0.00 42.46 40.80 1wmz s ILE 73 CO 0.54 0.00 1.06 0.61 0.24 0.00 0.00 174.94 177.39 1wmz n GLY 74 N -0.87 2.32 3.77 6.27 0.00 0.13 -4.43 105.19 112.38 1wmz n GLY 74 Ca -0.06 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.82 4.25 0.12 0.99 2.96 -1.26 0.15 118.68 125.08 1wmz s LEU 75 Ca 0.15 0.29 -0.22 0.00 -0.22 0.00 0.00 54.13 54.13 1wmz s LEU 75 Cb 0.12 -2.08 0.06 0.00 0.50 0.00 0.00 46.19 44.79 1wmz s LEU 75 CO 0.04 0.24 0.57 -0.72 -1.32 0.00 0.00 176.35 175.16 1wmz s TYR 76 N -0.03 -0.48 -0.10 5.38 1.13 -0.28 0.22 117.35 123.20 1wmz s TYR 76 Ca 0.10 0.34 0.14 0.00 -1.41 0.00 0.00 57.07 56.24 1wmz s TYR 76 Cb -0.11 0.47 0.29 0.00 -1.10 0.00 0.00 41.96 41.51 1wmz s TYR 76 CO -0.00 -0.78 1.14 -0.40 -2.51 0.00 0.00 175.55 172.99 1wmz n ASP 77 N -0.16 1.39 -0.32 -0.18 5.75 -0.45 -1.25 116.55 121.33 1wmz n ASP 77 Ca -0.17 -2.86 0.11 0.00 -0.01 0.00 0.00 54.79 51.86 1wmz n ASP 77 Cb 0.64 -0.38 0.33 0.00 -1.03 0.00 0.00 41.12 40.67 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 0.47 0.77 0.00 0.11 3.64 -1.89 -2.75 116.57 116.93 1wmz h LYS 78 Ca -0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1wmz h LYS 78 Cb 1.27 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1wmz h LYS 78 CO 0.02 0.51 -0.65 0.66 -2.27 0.00 0.00 179.45 177.72 1wmz n TYR 79 N -4.63 0.09 -3.18 1.91 0.53 -1.26 -4.66 117.16 105.96 1wmz n TYR 79 Ca 0.20 0.03 0.01 0.00 -1.02 0.00 0.00 57.90 57.12 1wmz n TYR 79 Cb 0.48 -0.28 -0.01 0.00 -1.03 0.00 0.00 39.34 38.49 1wmz n TYR 79 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1wmz s ASN 80 N -3.24 -1.34 -0.10 7.72 2.47 -1.04 -5.13 114.94 114.28 1wmz s ASN 80 Ca 0.09 -0.13 -0.37 0.00 0.42 0.00 0.00 52.86 52.87 1wmz s ASN 80 Cb 0.16 1.89 -0.14 0.00 -1.45 0.00 0.00 41.25 41.71 1wmz s ASN 80 CO 0.74 -0.28 1.69 1.21 -3.72 0.00 0.00 177.10 176.75 1wmz n GLU 81 N 5.16 1.60 0.00 0.43 4.07 -1.18 -1.49 120.64 129.23 1wmz n GLU 81 Ca 0.06 0.58 0.00 0.00 -0.06 0.00 0.00 57.16 57.74 1wmz n GLU 81 Cb 0.54 -2.32 0.00 0.00 -0.06 0.00 0.00 31.44 29.60 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 3.86 0.68 3.13 8.31 0.00 -1.26 -5.00 105.19 114.92 1wmz n GLY 82 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.10 5.75 0.05 1.61 3.68 -0.56 -5.07 116.67 120.04 1wmz s ASP 83 Ca 0.00 -3.17 -0.31 0.00 2.13 0.00 0.00 52.55 51.20 1wmz s ASP 83 Cb 0.00 -1.93 -0.06 0.00 -1.45 0.00 0.00 42.92 39.48 1wmz s ASP 83 CO 0.00 -0.32 1.36 -0.36 0.13 0.00 0.00 175.17 175.97 1wmz s PHE 84 N -0.54 3.11 0.23 -5.34 0.08 -1.26 -4.39 117.98 109.86 1wmz s PHE 84 Ca 0.21 0.96 0.07 0.00 0.12 0.00 0.00 56.93 58.30 1wmz s PHE 84 Cb -0.14 -3.62 -0.05 0.00 -0.57 0.00 0.00 43.02 38.64 1wmz s PHE 84 CO -0.07 -2.19 -0.11 0.96 -0.10 0.00 0.00 175.22 173.71 1wmz s ILE 85 N 1.68 1.64 0.00 0.64 -4.36 -0.38 -4.90 121.20 115.53 1wmz s ILE 85 Ca 0.63 -2.17 -0.20 0.00 -0.26 0.00 0.00 60.65 58.65 1wmz s ILE 85 Cb -0.33 -2.19 -0.05 0.00 1.25 0.00 0.00 42.46 41.14 1wmz s ILE 85 CO 0.28 -0.49 0.59 0.26 0.24 0.00 0.00 174.94 175.82 1wmz s TRP 86 N -3.03 3.70 0.55 1.37 0.52 -1.26 -1.13 118.94 119.67 1wmz s TRP 86 Ca 0.25 1.21 0.23 0.00 0.02 0.00 0.00 56.10 57.81 1wmz s TRP 86 Cb 0.01 -2.59 1.52 0.00 -1.15 0.00 0.00 33.47 31.26 1wmz s TRP 86 CO 0.08 0.38 2.16 1.79 0.02 0.00 0.00 176.95 181.39 1wmz h THR 87 N 4.06 0.74 -0.00 2.01 1.35 -0.64 -2.31 112.91 118.12 1wmz h THR 87 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1wmz h THR 87 Cb 1.20 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1wmz h THR 87 CO 0.69 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.06 1wmz n ASP 88 N -4.19 0.16 0.00 5.36 3.85 -1.26 -4.90 116.55 115.56 1wmz n ASP 88 Ca -0.01 -1.08 0.00 0.00 -0.71 0.00 0.00 54.79 52.99 1wmz n ASP 88 Cb 0.17 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.94 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 0.89 3.80 6.12 0.00 -0.87 -5.03 105.19 111.10 1wmz n GLY 89 Ca 0.23 0.00 -0.33 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 -2.92 5.85 0.29 1.61 1.04 -1.26 -4.99 113.70 113.32 1wmz s SER 90 Ca 0.00 1.88 -0.28 0.00 0.48 0.00 0.00 55.95 58.02 1wmz s SER 90 Cb 0.00 -2.54 -0.09 0.00 0.10 0.00 0.00 66.02 63.48 1wmz s SER 90 CO 0.00 -1.12 1.02 -0.54 0.98 0.00 0.00 173.24 173.58 1wmz s LYS 91 N -3.84 4.65 -0.03 4.02 1.02 -1.26 -4.29 119.74 120.00 1wmz s LYS 91 Ca 0.65 1.59 -0.30 0.00 0.02 0.00 0.00 55.97 57.93 1wmz s LYS 91 Cb -0.17 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 1wmz s LYS 91 CO 0.33 0.29 1.33 0.08 -0.92 0.00 0.00 175.35 176.45 1wmz s VAL 92 N -1.29 3.94 0.00 3.17 1.01 -1.26 -4.88 120.40 121.08 1wmz s VAL 92 Ca 0.46 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.72 1wmz s VAL 92 Cb -0.27 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1wmz s VAL 92 CO 0.34 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1wmz n GLY 93 N 3.56 0.21 3.71 4.51 0.00 -1.26 -5.06 105.19 110.86 1wmz n GLY 93 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.09 2.58 -4.12 1.61 4.19 -1.26 -5.03 117.16 114.05 1wmz n TYR 94 Ca 0.00 0.24 -0.11 0.00 3.31 0.00 0.00 57.90 61.33 1wmz n TYR 94 Cb 0.00 -2.58 -0.11 0.00 0.49 0.00 0.00 39.34 37.14 1wmz n TYR 94 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 1wmz s THR 95 N 0.45 0.60 -0.36 2.97 -4.23 -1.26 -4.86 115.64 108.96 1wmz s THR 95 Ca 0.70 -1.55 0.14 0.00 -1.18 0.00 0.00 61.69 59.81 1wmz s THR 95 Cb -0.56 -1.19 0.40 0.00 1.34 0.00 0.00 72.50 72.49 1wmz s THR 95 CO 0.43 -0.66 0.93 1.17 -0.54 0.00 0.00 174.62 175.95 1wmz n LYS 96 N 0.64 1.08 -1.95 3.99 4.81 -1.26 -5.08 118.16 120.38 1wmz n LYS 96 Ca -0.17 -3.03 -0.41 0.00 -0.87 0.00 0.00 58.31 53.83 1wmz n LYS 96 Cb 0.58 -1.26 -0.01 0.00 0.02 0.00 0.00 35.03 34.36 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 -2.23 2.85 0.65 5.64 0.52 -1.26 -0.05 118.94 125.05 1wmz s TRP 97 Ca 0.31 1.21 -0.17 0.00 0.02 0.00 0.00 56.10 57.46 1wmz s TRP 97 Cb 0.40 -3.86 -0.01 0.00 -1.15 0.00 0.00 33.47 28.85 1wmz s TRP 97 CO -0.02 -2.56 1.22 0.00 0.02 0.00 0.00 176.95 175.60 1wmz s ALA 98 N -0.85 2.39 0.29 0.98 0.00 -0.08 -4.65 121.76 119.84 1wmz s ALA 98 Ca 0.53 0.98 -0.30 0.00 0.00 0.00 0.00 51.96 53.17 1wmz s ALA 98 Cb -0.43 -3.47 -0.13 0.00 0.00 0.00 0.00 23.12 19.09 1wmz s ALA 98 CO 0.55 -1.45 1.39 0.41 0.00 0.00 0.00 175.76 176.66 1wmz n GLY 99 N 0.47 0.78 2.28 0.00 0.00 -1.26 -1.02 105.19 106.44 1wmz n GLY 99 Ca 0.14 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 1.60 1.17 3.38 -0.02 0.00 -1.26 -5.04 105.19 105.02 1wmz n GLY 100 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.24 1.40 0.47 1.61 -1.52 -0.19 -4.16 119.66 117.03 1wmz s GLN 101 Ca 0.00 -1.45 -0.19 0.00 -1.95 0.00 0.00 55.36 51.77 1wmz s GLN 101 Cb 0.00 -1.63 -0.09 0.00 -0.22 0.00 0.00 33.01 31.07 1wmz s GLN 101 CO 0.00 0.35 0.97 -1.25 -0.25 0.00 0.00 175.29 175.11 1wmz s PRO 102 N -2.64 4.06 0.00 2.91 0.04 -1.26 -4.63 135.00 133.48 1wmz s PRO 102 Ca 0.18 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1wmz s PRO 102 Cb -0.07 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1wmz s PRO 102 CO 0.08 -0.18 0.25 -0.40 0.04 0.00 0.00 177.00 176.79 1wmz n ASP 103 N -1.11 0.50 -4.02 6.66 3.85 -1.26 -5.03 116.55 116.14 1wmz n ASP 103 Ca 0.07 -0.86 -0.27 0.00 -0.71 0.00 0.00 54.79 53.01 1wmz n ASP 103 Cb 0.54 0.12 -0.03 0.00 -1.35 0.00 0.00 41.12 40.41 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 -0.12 -0.69 -4.76 -1.12 5.15 -1.26 -4.80 115.26 107.65 1wmz n ASN 104 Ca 0.00 -1.02 -0.41 0.00 -0.60 0.00 0.00 54.58 52.54 1wmz n ASN 104 Cb 0.08 -2.92 -0.01 0.00 -0.53 0.00 0.00 39.78 36.39 1wmz n ASN 104 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 1wmz s TRP 105 N -3.89 2.81 -1.35 1.20 -0.00 -1.26 -1.01 118.94 115.45 1wmz s TRP 105 Ca 0.11 1.00 0.00 0.00 -0.00 0.00 0.00 56.10 57.21 1wmz s TRP 105 Cb -0.06 -3.96 0.00 0.00 -0.00 0.00 0.00 33.47 29.45 1wmz s TRP 105 CO 0.90 -3.04 0.00 0.09 -0.00 0.00 0.00 176.95 174.90 1wmz n ASN 106 N 1.67 -4.36 -2.17 5.86 3.02 -1.26 -2.28 115.26 115.73 1wmz n ASN 106 Ca 0.05 0.19 -0.18 0.00 -0.03 0.00 0.00 54.58 54.61 1wmz n ASN 106 Cb 0.39 -3.75 -0.03 0.00 -0.61 0.00 0.00 39.78 35.78 1wmz n ASN 106 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1wmz n ASN 107 N -1.58 -5.05 -0.36 6.41 3.02 -0.18 -4.85 115.26 112.67 1wmz n ASN 107 Ca -0.17 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1wmz n ASN 107 Cb 0.60 -4.30 0.00 0.00 -0.61 0.00 0.00 39.78 35.47 1wmz n ASN 107 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wmz n ALA 108 N -1.24 1.76 -3.39 5.41 0.00 -0.97 -5.02 120.51 117.06 1wmz n ALA 108 Ca -0.20 -0.91 -0.37 0.00 0.00 0.00 0.00 53.44 51.95 1wmz n ALA 108 Cb 0.64 -0.37 -0.12 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.07 2.50 0.00 0.00 2.02 -1.25 -4.22 118.70 117.68 1wmz s GLU 109 Ca 0.01 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 53.69 1wmz s GLU 109 Cb 0.01 -3.45 0.00 0.00 0.10 0.00 0.00 34.13 30.79 1wmz s GLU 109 CO 0.00 -0.73 0.55 -0.25 0.02 0.00 0.00 175.26 174.84 1wmz n ASP 110 N 4.76 1.01 -4.01 -0.19 10.43 -0.35 -4.50 116.55 123.70 1wmz n ASP 110 Ca -0.11 -1.26 -0.29 0.00 2.57 0.00 0.00 54.79 55.70 1wmz n ASP 110 Cb 0.44 0.00 -0.17 0.00 1.84 0.00 0.00 41.12 43.23 1wmz n ASP 110 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1wmz s TYR 111 N -0.26 2.06 0.38 1.24 1.51 -0.56 -1.33 117.35 120.39 1wmz s TYR 111 Ca 0.00 -1.13 -0.24 0.00 -1.01 0.00 0.00 57.07 54.69 1wmz s TYR 111 Cb 0.00 -1.53 -0.10 0.00 -0.11 0.00 0.00 41.96 40.22 1wmz s TYR 111 CO 0.00 -0.63 0.99 0.20 -1.11 0.00 0.00 175.55 175.00 1wmz s GLY 112 N 1.47 2.68 0.04 0.71 0.00 0.13 -0.29 107.32 112.07 1wmz s GLY 112 Ca 0.04 0.57 -0.20 0.00 0.00 0.00 0.00 44.72 45.13 1wmz s GLY 112 CO -0.10 0.97 0.45 -0.86 0.00 0.00 0.00 173.10 173.56 1wmz s GLN 113 N -2.49 0.95 0.23 2.90 -2.07 -0.21 -1.91 119.66 117.06 1wmz s GLN 113 Ca 0.56 -0.29 -0.30 0.00 -1.82 0.00 0.00 55.36 53.51 1wmz s GLN 113 Cb -0.18 0.43 -0.09 0.00 -1.09 0.00 0.00 33.01 32.08 1wmz s GLN 113 CO 0.23 -0.33 0.99 -0.06 -1.32 0.00 0.00 175.29 174.80 1wmz s PHE 114 N -2.36 3.84 0.66 9.60 2.99 0.64 -0.86 117.98 132.49 1wmz s PHE 114 Ca -0.06 1.83 -0.12 0.00 0.00 0.00 0.00 56.93 58.59 1wmz s PHE 114 Cb -0.01 -3.08 -0.01 0.00 0.00 0.00 0.00 43.02 39.91 1wmz s PHE 114 CO -0.01 0.11 1.05 1.03 -0.00 0.00 0.00 175.22 177.39 1wmz s ARG 115 N -1.07 3.19 0.30 0.44 0.52 -0.26 -1.59 118.95 120.49 1wmz s ARG 115 Ca 0.43 0.93 0.26 0.00 -0.52 0.00 0.00 55.73 56.83 1wmz s ARG 115 Cb -0.27 -2.02 0.81 0.00 0.52 0.00 0.00 34.95 33.98 1wmz s ARG 115 CO 0.34 -0.90 1.75 1.12 0.02 0.00 0.00 175.30 177.64 1wmz h HIS 116 N -0.42 0.00 -1.95 -0.53 2.07 -1.77 -3.30 115.15 109.25 1wmz h HIS 116 Ca -0.44 0.00 -0.47 0.00 -2.85 0.00 0.00 60.37 56.61 1wmz h HIS 116 Cb 1.20 0.00 0.07 0.00 2.57 0.00 0.00 27.41 31.25 1wmz h HIS 116 CO 0.63 0.00 0.06 0.95 -3.07 0.00 0.00 177.93 176.49 1wmz s THR 117 N -3.23 2.19 -1.54 6.12 -4.23 -1.26 -4.60 115.64 109.09 1wmz s THR 117 Ca 0.08 -0.67 -0.12 0.00 -1.18 0.00 0.00 61.69 59.79 1wmz s THR 117 Cb 0.10 -2.52 0.09 0.00 1.34 0.00 0.00 72.50 71.50 1wmz s THR 117 CO 0.56 0.00 0.86 -0.62 -0.54 0.00 0.00 174.62 174.88 1wmz n GLU 118 N -2.69 -4.66 -2.33 3.99 1.02 -1.26 -1.25 120.64 113.46 1wmz n GLU 118 Ca 0.14 0.52 -0.15 0.00 -0.02 0.00 0.00 57.16 57.66 1wmz n GLU 118 Cb 0.61 -5.27 -0.01 0.00 -0.02 0.00 0.00 31.44 26.74 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 -1.63 -0.31 1.48 0.62 0.00 -1.26 -1.99 105.19 102.09 1wmz n GLY 119 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.81 0.60 3.73 -0.02 0.00 -0.38 -4.91 105.19 103.40 1wmz n GLY 120 Ca -0.18 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 1wmz n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmz s ALA 121 N -2.00 2.39 0.26 4.61 0.00 -0.84 -4.02 121.76 122.15 1wmz s ALA 121 Ca 0.00 1.19 -0.14 0.00 0.00 0.00 0.00 51.96 53.01 1wmz s ALA 121 Cb 0.00 -3.54 -0.08 0.00 0.00 0.00 0.00 23.12 19.50 1wmz s ALA 121 CO 0.00 -1.56 0.66 -1.58 0.00 0.00 0.00 175.76 173.28 1wmz s TRP 122 N -1.42 3.45 0.04 0.00 0.51 0.92 -1.10 118.94 121.34 1wmz s TRP 122 Ca 0.82 1.12 0.03 0.00 -2.12 0.00 0.00 56.10 55.95 1wmz s TRP 122 Cb -0.37 -2.45 -0.02 0.00 -0.81 0.00 0.00 33.47 29.82 1wmz s TRP 122 CO 0.39 0.22 -0.09 1.21 -0.51 0.00 0.00 176.95 178.17 1wmz s ASN 123 N -2.15 1.04 -0.14 2.95 2.47 -0.04 -0.90 114.94 118.17 1wmz s ASN 123 Ca 0.49 -0.50 -0.17 0.00 0.42 0.00 0.00 52.86 53.10 1wmz s ASN 123 Cb -0.12 -0.00 -0.04 0.00 -1.45 0.00 0.00 41.25 39.64 1wmz s ASN 123 CO 0.19 -0.13 0.45 1.51 -3.72 0.00 0.00 177.10 175.40 1wmz s ASP 124 N -1.38 6.62 0.40 -4.21 -4.77 -1.26 -1.04 116.67 111.02 1wmz s ASP 124 Ca -0.06 0.73 0.04 0.00 -3.30 0.00 0.00 52.55 49.96 1wmz s ASP 124 Cb -0.09 -2.27 -0.03 0.00 -1.09 0.00 0.00 42.92 39.45 1wmz s ASP 124 CO 0.01 -0.01 0.12 0.21 0.70 0.00 0.00 175.17 176.20 1wmz s ASN 125 N 0.70 2.70 0.57 2.11 3.84 0.60 -4.85 114.94 120.61 1wmz s ASN 125 Ca 0.24 -1.64 0.05 0.00 0.21 0.00 0.00 52.86 51.72 1wmz s ASN 125 Cb -0.15 0.45 0.07 0.00 -0.55 0.00 0.00 41.25 41.07 1wmz s ASN 125 CO 0.09 -0.90 0.79 -0.94 -2.79 0.00 0.00 177.10 173.35 1wmz s SER 126 N -3.59 5.08 0.07 -4.21 1.04 -1.26 -1.21 113.70 109.63 1wmz s SER 126 Ca 0.25 -0.48 0.26 0.00 0.48 0.00 0.00 55.95 56.46 1wmz s SER 126 Cb 0.03 -0.21 1.02 0.00 0.10 0.00 0.00 66.02 66.96 1wmz s SER 126 CO 0.15 -1.30 1.80 0.00 0.98 0.00 0.00 173.24 174.87 1wmz n ALA 127 N -2.31 2.17 0.47 5.32 0.00 -1.26 -2.74 120.51 122.16 1wmz n ALA 127 Ca 0.12 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.62 1wmz n ALA 127 Cb 0.60 -1.43 0.16 0.00 0.00 0.00 0.00 19.45 18.79 1wmz n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wmz h ALA 128 N 2.75 0.63 -2.27 0.00 0.00 -1.94 -3.44 119.26 114.98 1wmz h ALA 128 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 1wmz h ALA 128 Cb 0.51 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.34 1wmz h ALA 128 CO 0.00 0.00 0.39 0.00 0.00 0.00 0.00 179.25 179.64 1wmz s ALA 129 N -3.20 3.03 0.06 0.00 0.00 -1.11 -5.01 121.76 115.53 1wmz s ALA 129 Ca 0.05 0.10 0.09 0.00 0.00 0.00 0.00 51.96 52.20 1wmz s ALA 129 Cb 0.12 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.09 1wmz s ALA 129 CO 0.72 -0.50 -0.24 -0.65 0.00 0.00 0.00 175.76 175.08 1wmz s GLN 130 N -4.53 1.82 0.20 0.00 -0.21 -1.26 -4.31 119.66 111.37 1wmz s GLN 130 Ca 0.58 -1.11 -0.20 0.00 0.02 0.00 0.00 55.36 54.65 1wmz s GLN 130 Cb -0.11 -2.03 0.04 0.00 1.00 0.00 0.00 33.01 31.91 1wmz s GLN 130 CO 0.41 0.51 0.58 0.00 -2.12 0.00 0.00 175.29 174.67 1wmz s ALA 131 N -0.88 -1.20 1.07 6.09 0.00 -0.44 -4.79 121.76 121.61 1wmz s ALA 131 Ca 0.13 -0.00 -0.17 0.00 0.00 0.00 0.00 51.96 51.92 1wmz s ALA 131 Cb -0.10 0.86 0.23 0.00 0.00 0.00 0.00 23.12 24.10 1wmz s ALA 131 CO 0.04 -0.83 1.17 0.15 0.00 0.00 0.00 175.76 176.28 1wmz s LYS 132 N -3.84 -0.19 0.12 0.00 -0.14 -0.71 -1.17 119.74 113.82 1wmz s LYS 132 Ca 0.07 -0.04 -0.11 0.00 -1.36 0.00 0.00 55.97 54.53 1wmz s LYS 132 Cb -0.02 -1.71 0.01 0.00 -1.68 0.00 0.00 37.83 34.42 1wmz s LYS 132 CO -0.05 -3.03 0.28 1.52 -0.76 0.00 0.00 175.35 173.31 1wmz s TYR 133 N -3.27 0.13 -0.01 3.18 1.13 -1.14 -0.21 117.35 117.15 1wmz s TYR 133 Ca 0.70 -0.51 0.01 0.00 -1.41 0.00 0.00 57.07 55.85 1wmz s TYR 133 Cb -0.10 0.03 0.01 0.00 -1.10 0.00 0.00 41.96 40.80 1wmz s TYR 133 CO 0.55 -0.65 -0.02 1.41 -2.51 0.00 0.00 175.55 174.34 1wmz s MET 134 N -3.88 0.22 0.21 -3.49 1.75 -1.25 -1.35 119.30 111.51 1wmz s MET 134 Ca 0.08 -0.04 0.06 0.00 -1.25 0.00 0.00 55.69 54.54 1wmz s MET 134 Cb 0.03 -0.27 -0.04 0.00 2.84 0.00 0.00 34.83 37.40 1wmz s MET 134 CO -0.08 -0.00 0.20 0.00 -0.65 0.00 0.00 175.02 174.49 1wmz s LYS 136 N -3.52 0.05 -0.09 0.00 2.20 0.17 -1.13 119.74 117.42 1wmz s LYS 136 Ca 0.32 0.15 -0.11 0.00 -0.36 0.00 0.00 55.97 55.98 1wmz s LYS 136 Cb -0.09 -0.05 -0.05 0.00 -1.51 0.00 0.00 37.83 36.13 1wmz s LYS 136 CO 0.25 -0.07 0.26 -0.51 -0.36 0.00 0.00 175.35 174.92 1wmz s LEU 137 N 0.42 4.39 -0.14 5.43 1.43 0.58 -1.84 118.68 128.94 1wmz s LEU 137 Ca -0.03 0.63 0.02 0.00 -1.03 0.00 0.00 54.13 53.72 1wmz s LEU 137 Cb -0.05 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.89 1wmz s LEU 137 CO -0.02 0.32 -0.18 -0.89 0.23 0.00 0.00 176.35 175.81 1wmz s THR 138 N -0.73 1.79 -0.69 5.49 2.01 0.01 -3.54 115.64 119.99 1wmz s THR 138 Ca 0.18 -0.80 -0.21 0.00 0.31 0.00 0.00 61.69 61.17 1wmz s THR 138 Cb -0.14 -1.62 0.09 0.00 0.01 0.00 0.00 72.50 70.84 1wmz s THR 138 CO 0.07 0.50 0.94 -0.36 -0.69 0.00 0.00 174.62 175.08 1wmz s PHE 139 N 1.09 2.81 -2.50 4.92 0.40 -1.26 -1.46 117.98 121.98 1wmz s PHE 139 Ca -0.02 -0.77 0.28 0.00 -0.60 0.00 0.00 56.93 55.81 1wmz s PHE 139 Cb -0.14 -4.24 1.05 0.00 0.51 0.00 0.00 43.02 40.20 1wmz s PHE 139 CO -0.06 -1.56 1.74 0.39 0.70 0.00 0.00 175.22 176.44