#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wbi s LYS 3 N 0.00 3.88 -1.69 5.56 -0.14 -1.26 -2.45 119.74 123.64 1wbi s LYS 3 Ca 0.00 2.24 0.00 0.00 -1.36 0.00 0.00 55.97 56.85 1wbi s LYS 3 Cb 0.00 -2.73 0.00 0.00 -1.68 0.00 0.00 37.83 33.42 1wbi s LYS 3 CO 0.00 -0.59 0.00 0.00 -0.76 0.00 0.00 175.35 174.00 1wbi s SER 5 N -2.78 7.22 0.41 0.00 0.15 -1.02 -4.84 113.70 112.84 1wbi s SER 5 Ca 0.00 1.49 0.28 0.00 0.70 0.00 0.00 55.95 58.42 1wbi s SER 5 Cb 0.00 -2.53 1.09 0.00 -1.71 0.00 0.00 66.02 62.86 1wbi s SER 5 CO 0.00 -0.37 1.84 -0.07 1.20 0.00 0.00 173.24 175.84 1wbi h LEU 6 N 7.66 0.00 -9.29 3.45 3.38 -1.92 -3.45 115.31 115.14 1wbi h LEU 6 Ca -0.34 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 56.96 1wbi h LEU 6 Cb 1.17 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.98 1wbi h LEU 6 CO 0.82 0.00 0.44 0.41 0.09 0.00 0.00 178.44 180.20 1wbi n THR 7 N -2.72 0.16 0.00 0.22 -1.04 -1.26 -4.56 114.28 105.09 1wbi n THR 7 Ca 0.02 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1wbi n THR 7 Cb 0.31 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 67.97 1wbi n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wbi n GLY 8 N 2.47 0.74 3.33 3.41 0.00 -0.23 -4.93 105.19 109.97 1wbi n GLY 8 Ca 0.18 -2.08 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 1wbi n GLY 8 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wbi s GLU 9 N -1.03 3.31 0.13 1.61 8.01 -1.26 -0.40 118.70 129.06 1wbi s GLU 9 Ca 0.00 -0.73 0.06 0.00 0.01 0.00 0.00 54.97 54.31 1wbi s GLU 9 Cb 0.00 -2.57 -0.04 0.00 -4.31 0.00 0.00 34.13 27.21 1wbi s GLU 9 CO 0.00 0.19 -0.14 -1.58 0.01 0.00 0.00 175.26 173.74 1wbi s TRP 10 N 0.39 1.40 0.20 1.61 0.52 0.69 -0.53 118.94 123.22 1wbi s TRP 10 Ca -0.12 -0.57 0.04 0.00 0.02 0.00 0.00 56.10 55.47 1wbi s TRP 10 Cb -0.16 -0.73 -0.05 0.00 -1.15 0.00 0.00 33.47 31.38 1wbi s TRP 10 CO 0.06 0.15 -0.04 0.16 0.02 0.00 0.00 176.95 177.30 1wbi s ASP 11 N -2.54 1.76 0.51 2.95 1.47 -0.42 -0.53 116.67 119.86 1wbi s ASP 11 Ca 0.10 -1.14 0.02 0.00 1.18 0.00 0.00 52.55 52.70 1wbi s ASP 11 Cb -0.04 0.01 -0.02 0.00 -0.34 0.00 0.00 42.92 42.54 1wbi s ASP 11 CO 0.03 -0.45 0.01 0.54 0.68 0.00 0.00 175.17 175.98 1wbi s ASN 12 N -3.24 4.13 0.65 2.11 2.20 -0.61 -1.44 114.94 118.72 1wbi s ASN 12 Ca 0.24 -1.63 0.42 0.00 -0.94 0.00 0.00 52.86 50.95 1wbi s ASN 12 Cb 0.05 0.47 2.26 0.00 -2.00 0.00 0.00 41.25 42.02 1wbi s ASN 12 CO 0.05 -0.83 2.32 -2.24 -2.94 0.00 0.00 177.10 173.46 1wbi h ASP 13 N 1.36 0.00 0.54 3.54 2.03 -1.85 -0.34 116.42 121.69 1wbi h ASP 13 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 1wbi h ASP 13 Cb 1.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.81 1wbi h ASP 13 CO 0.74 0.00 -0.46 0.18 -1.03 0.00 0.00 179.24 178.68 1wbi n LEU 14 N -3.12 0.46 0.00 0.15 4.77 -1.26 -4.95 117.00 113.05 1wbi n LEU 14 Ca -0.02 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1wbi n LEU 14 Cb 0.11 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1wbi n LEU 14 CO 0.21 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1wbi n GLY 15 N 1.50 0.52 3.76 -0.72 0.00 -0.14 -4.72 105.19 105.39 1wbi n GLY 15 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1wbi n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wbi s SER 16 N -2.88 5.45 -0.08 1.61 0.01 -1.26 -4.60 113.70 111.94 1wbi s SER 16 Ca 0.00 2.34 0.04 0.00 1.31 0.00 0.00 55.95 59.64 1wbi s SER 16 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1wbi s SER 16 CO 0.00 -1.42 -0.21 -0.63 0.41 0.00 0.00 173.24 171.39 1wbi s ILE 17 N -1.62 1.82 -0.04 1.44 1.01 -0.26 -1.58 121.20 121.97 1wbi s ILE 17 Ca 0.74 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 60.55 1wbi s ILE 17 Cb -0.29 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 1wbi s ILE 17 CO 0.32 0.51 -0.19 -0.32 0.00 0.00 0.00 174.94 175.26 1wbi s MET 18 N 0.31 1.80 -0.08 2.79 -2.45 0.31 -0.50 119.30 121.47 1wbi s MET 18 Ca -0.15 -0.67 0.05 0.00 -1.25 0.00 0.00 55.69 53.68 1wbi s MET 18 Cb -0.16 -1.61 -0.00 0.00 1.25 0.00 0.00 34.83 34.31 1wbi s MET 18 CO 0.07 0.31 -0.24 0.99 1.05 0.00 0.00 175.02 177.19 1wbi s THR 19 N -0.13 2.07 -0.05 10.11 2.01 -0.34 -0.22 115.64 129.08 1wbi s THR 19 Ca -0.00 -1.04 0.05 0.00 0.31 0.00 0.00 61.69 61.01 1wbi s THR 19 Cb -0.11 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.62 1wbi s THR 19 CO 0.01 0.56 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.66 1wbi s ILE 20 N 0.14 2.37 0.00 1.82 1.01 0.46 -0.76 121.20 126.24 1wbi s ILE 20 Ca -0.13 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.56 1wbi s ILE 20 Cb -0.16 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.42 1wbi s ILE 20 CO 0.07 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.19 1wbi n GLY 21 N 2.74 -0.45 3.77 6.18 0.00 0.14 -1.07 105.19 116.49 1wbi n GLY 21 Ca -0.17 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 1wbi n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbi s ALA 22 N -3.77 3.16 -0.25 4.61 0.00 -1.26 -4.08 121.76 120.17 1wbi s ALA 22 Ca 0.00 1.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.89 1wbi s ALA 22 Cb 0.00 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 1wbi s ALA 22 CO 0.00 -0.63 0.19 0.08 0.00 0.00 0.00 175.76 175.40 1wbi s VAL 23 N -1.38 5.34 0.62 0.00 1.01 -1.26 -4.53 120.40 120.19 1wbi s VAL 23 Ca 0.58 0.22 -0.10 0.00 0.00 0.00 0.00 61.98 62.68 1wbi s VAL 23 Cb -0.33 -3.52 0.14 0.00 0.00 0.00 0.00 36.38 32.67 1wbi s VAL 23 CO 0.41 0.32 0.84 -0.46 0.00 0.00 0.00 175.10 176.21 1wbi n ASN 24 N 4.47 0.13 0.27 3.32 0.23 -0.37 -4.86 115.26 118.46 1wbi n ASN 24 Ca -0.14 -1.35 0.14 0.00 -0.53 0.00 0.00 54.58 52.70 1wbi n ASN 24 Cb 0.52 -0.64 0.76 0.00 -2.08 0.00 0.00 39.78 38.34 1wbi n ASN 24 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1wbi h ASP 25 N -1.07 0.00 -0.03 0.53 3.32 -1.98 -1.41 116.42 115.78 1wbi h ASP 25 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1wbi h ASP 25 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.32 1wbi h ASP 25 CO 0.20 0.10 0.00 0.59 -1.72 0.00 0.00 179.24 178.41 1wbi n ASN 26 N -3.53 1.94 0.00 6.45 5.03 -1.26 -4.94 115.26 118.95 1wbi n ASN 26 Ca -0.02 -1.65 0.00 0.00 0.87 0.00 0.00 54.58 53.79 1wbi n ASN 26 Cb 0.23 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 38.99 1wbi n ASN 26 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wbi n GLY 27 N 1.22 0.75 3.78 7.41 0.00 -0.53 -4.80 105.19 113.01 1wbi n GLY 27 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1wbi n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wbi s GLU 28 N -0.62 4.54 0.06 1.61 2.02 -1.26 -0.67 118.70 124.38 1wbi s GLU 28 Ca 0.00 1.41 -0.13 0.00 0.02 0.00 0.00 54.97 56.27 1wbi s GLU 28 Cb 0.00 -2.82 0.02 0.00 0.10 0.00 0.00 34.13 31.42 1wbi s GLU 28 CO 0.00 0.22 0.30 -0.59 0.02 0.00 0.00 175.26 175.21 1wbi s PHE 29 N -1.55 -0.07 0.51 1.61 -0.12 -0.25 -1.24 117.98 116.87 1wbi s PHE 29 Ca 0.50 -0.14 0.03 0.00 -0.05 0.00 0.00 56.93 57.27 1wbi s PHE 29 Cb -0.21 0.09 -0.00 0.00 -0.63 0.00 0.00 43.02 42.27 1wbi s PHE 29 CO 0.26 -0.54 0.12 0.16 -0.05 0.00 0.00 175.22 175.17 1wbi s ASP 30 N -2.31 4.27 0.00 1.98 1.47 -1.26 -1.10 116.67 119.72 1wbi s ASP 30 Ca -0.02 -1.51 0.00 0.00 1.18 0.00 0.00 52.55 52.20 1wbi s ASP 30 Cb 0.01 0.42 0.00 0.00 -0.34 0.00 0.00 42.92 43.00 1wbi s ASP 30 CO -0.06 -0.89 0.00 0.61 0.68 0.00 0.00 175.17 175.51 1wbi n GLY 31 N -1.39 -1.21 3.18 2.12 0.00 -0.90 -0.69 105.19 106.30 1wbi n GLY 31 Ca -0.13 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 44.83 1wbi n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wbi s THR 32 N -2.60 1.01 -0.03 2.61 -4.23 0.06 -1.76 115.64 110.70 1wbi s THR 32 Ca 0.00 -1.60 -0.00 0.00 -1.18 0.00 0.00 61.69 58.91 1wbi s THR 32 Cb 0.00 -1.33 0.03 0.00 1.34 0.00 0.00 72.50 72.53 1wbi s THR 32 CO 0.00 -0.49 0.02 -0.47 -0.54 0.00 0.00 174.62 173.13 1wbi s TYR 33 N -2.23 0.20 -0.35 3.99 5.04 0.86 -1.20 117.35 123.64 1wbi s TYR 33 Ca 0.05 0.07 -0.02 0.00 -2.44 0.00 0.00 57.07 54.73 1wbi s TYR 33 Cb -0.04 -0.36 0.08 0.00 0.35 0.00 0.00 41.96 41.99 1wbi s TYR 33 CO 0.01 -0.13 0.10 0.42 -1.34 0.00 0.00 175.55 174.61 1wbi s ILE 34 N 1.17 3.07 0.36 3.14 1.01 0.34 -1.59 121.20 128.70 1wbi s ILE 34 Ca -0.08 -1.77 -0.26 0.00 0.00 0.00 0.00 60.65 58.54 1wbi s ILE 34 Cb -0.13 -2.97 -0.09 0.00 0.01 0.00 0.00 42.46 39.28 1wbi s ILE 34 CO -0.02 -0.42 1.06 0.28 0.00 0.00 0.00 174.94 175.84 1wbi s THR 35 N 1.17 3.65 -0.53 2.92 -1.32 -1.26 -1.10 115.64 119.16 1wbi s THR 35 Ca 0.03 1.40 0.24 0.00 -1.21 0.00 0.00 61.69 62.14 1wbi s THR 35 Cb -0.21 -3.79 0.25 0.00 -1.51 0.00 0.00 72.50 67.24 1wbi s THR 35 CO -0.03 0.14 1.56 0.00 -2.21 0.00 0.00 174.62 174.08 1wbi h ALA 36 N 2.98 0.89 -2.73 11.08 0.00 -1.84 -3.47 119.26 126.16 1wbi h ALA 36 Ca -0.48 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.22 1wbi h ALA 36 Cb 1.21 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.82 1wbi h ALA 36 CO 0.64 0.00 -0.71 0.14 0.00 0.00 0.00 179.25 179.32 1wbi s VAL 37 N -3.19 0.44 0.19 0.00 -7.23 -1.26 -5.01 120.40 104.35 1wbi s VAL 37 Ca 0.07 -1.39 -0.24 0.00 -1.81 0.00 0.00 61.98 58.61 1wbi s VAL 37 Cb 0.09 -0.97 0.05 0.00 0.56 0.00 0.00 36.38 36.11 1wbi s VAL 37 CO 0.67 -0.64 0.88 0.00 -0.31 0.00 0.00 175.10 175.71 1wbi s ALA 38 N -2.40 -1.51 0.25 1.32 0.00 -1.26 -4.98 121.76 113.17 1wbi s ALA 38 Ca -0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.86 1wbi s ALA 38 Cb -0.03 0.71 0.32 0.00 0.00 0.00 0.00 23.12 24.12 1wbi s ALA 38 CO -0.03 -1.04 1.88 -0.44 0.00 0.00 0.00 175.76 176.12 1wbi h ASP 39 N 2.00 0.95 -3.28 0.00 3.32 -2.02 -3.34 116.42 114.06 1wbi h ASP 39 Ca -0.22 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.22 1wbi h ASP 39 Cb 1.24 -0.20 -0.40 0.00 0.22 0.00 0.00 39.33 40.18 1wbi h ASP 39 CO 0.25 0.64 -0.73 0.20 -1.72 0.00 0.00 179.24 177.87 1wbi s ASN 40 N -5.88 3.61 0.55 6.45 0.01 -1.26 -5.00 114.94 113.42 1wbi s ASN 40 Ca -0.13 -3.02 0.31 0.00 -0.71 0.00 0.00 52.86 49.31 1wbi s ASN 40 Cb 0.18 -1.12 1.60 0.00 0.41 0.00 0.00 41.25 42.32 1wbi s ASN 40 CO 0.80 -0.20 2.12 1.55 -1.51 0.00 0.00 177.10 179.85 1wbi h PRO 41 N 6.21 0.00 0.00 -0.60 0.13 -1.94 -1.58 132.00 134.22 1wbi h PRO 41 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1wbi h PRO 41 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1wbi h PRO 41 CO 0.54 0.08 0.00 0.78 -0.23 0.00 0.00 178.00 179.17 1wbi h GLY 42 N 0.81 0.00 -0.67 1.56 0.00 -1.95 -2.77 103.07 100.06 1wbi h GLY 42 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wbi h GLY 42 CO 0.01 0.00 -0.37 0.70 0.00 0.00 0.00 176.54 176.88 1wbi n ASN 43 N -2.95 1.78 -4.69 0.19 3.02 -0.60 -4.99 115.26 107.02 1wbi n ASN 43 Ca -0.01 -1.36 -0.44 0.00 -0.03 0.00 0.00 54.58 52.73 1wbi n ASN 43 Cb 0.15 0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.62 1wbi n ASN 43 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1wbi n ILE 44 N -0.12 0.37 -4.16 2.41 5.41 -1.05 -4.77 119.36 117.45 1wbi n ILE 44 Ca 0.11 -0.09 -0.13 0.00 1.00 0.00 0.00 62.75 63.64 1wbi n ILE 44 Cb 0.44 -1.68 -0.10 0.00 -0.71 0.00 0.00 39.64 37.58 1wbi n ILE 44 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1wbi s THR 45 N 0.61 0.80 0.08 1.39 -4.23 -1.26 -5.10 115.64 107.93 1wbi s THR 45 Ca 0.73 -1.73 -0.36 0.00 -1.18 0.00 0.00 61.69 59.16 1wbi s THR 45 Cb -0.61 -1.44 -0.15 0.00 1.34 0.00 0.00 72.50 71.65 1wbi s THR 45 CO 0.41 -0.68 1.51 -0.11 -0.54 0.00 0.00 174.62 175.20 1wbi n LEU 46 N 0.36 2.44 -4.21 4.79 0.00 -1.26 -4.75 117.00 114.37 1wbi n LEU 46 Ca -0.15 1.09 -0.22 0.00 0.00 0.00 0.00 56.01 56.74 1wbi n LEU 46 Cb 0.59 -1.30 -0.13 0.00 0.00 0.00 0.00 43.42 42.58 1wbi n LEU 46 CO 0.28 -0.61 -0.49 -0.44 0.00 0.00 0.00 177.39 176.13 1wbi s SER 47 N 1.14 2.06 0.42 1.96 0.01 -0.62 -4.76 113.70 113.90 1wbi s SER 47 Ca 0.84 -0.58 -0.20 0.00 1.31 0.00 0.00 55.95 57.32 1wbi s SER 47 Cb -0.83 -0.12 -0.10 0.00 0.21 0.00 0.00 66.02 65.18 1wbi s SER 47 CO 0.45 0.03 0.91 -2.16 0.41 0.00 0.00 173.24 172.88 1wbi s PRO 48 N -1.53 4.17 0.12 12.44 0.04 -1.25 -0.10 135.00 148.89 1wbi s PRO 48 Ca 0.03 1.03 0.04 0.00 0.04 0.00 0.00 61.00 62.13 1wbi s PRO 48 Cb -0.09 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 1wbi s PRO 48 CO 0.02 -0.01 -0.09 -0.48 0.04 0.00 0.00 177.00 176.48 1wbi s LEU 49 N -3.20 2.50 -0.09 -3.56 0.05 -0.72 -1.74 118.68 111.92 1wbi s LEU 49 Ca 0.60 -0.97 -0.06 0.00 0.05 0.00 0.00 54.13 53.76 1wbi s LEU 49 Cb -0.09 -0.26 0.04 0.00 -2.05 0.00 0.00 46.19 43.83 1wbi s LEU 49 CO 0.15 -0.36 0.22 -0.22 -0.55 0.00 0.00 176.35 175.59 1wbi s LEU 50 N -2.98 0.74 0.00 1.48 2.96 -0.61 -2.13 118.68 118.14 1wbi s LEU 50 Ca 0.13 0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 54.49 1wbi s LEU 50 Cb 0.02 0.69 0.00 0.00 0.50 0.00 0.00 46.19 47.40 1wbi s LEU 50 CO -0.01 -0.13 0.06 0.61 -1.32 0.00 0.00 176.35 175.56 1wbi n GLY 51 N 3.76 1.88 2.88 7.98 0.00 -0.25 -0.88 105.19 120.55 1wbi n GLY 51 Ca -0.21 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 1wbi n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wbi s ILE 52 N -2.91 -0.03 0.19 -0.61 1.01 -0.36 -1.09 121.20 117.41 1wbi s ILE 52 Ca 0.01 0.11 0.09 0.00 0.00 0.00 0.00 60.65 60.87 1wbi s ILE 52 Cb -0.00 -0.12 -0.04 0.00 0.01 0.00 0.00 42.46 42.30 1wbi s ILE 52 CO 0.01 0.05 -0.11 0.00 0.00 0.00 0.00 174.94 174.88 1wbi s GLN 53 N 0.63 1.99 0.44 2.79 -2.07 0.15 -1.33 119.66 122.27 1wbi s GLN 53 Ca -0.05 -1.33 -0.23 0.00 -1.82 0.00 0.00 55.36 51.92 1wbi s GLN 53 Cb -0.07 -2.10 -0.08 0.00 -1.09 0.00 0.00 33.01 29.67 1wbi s GLN 53 CO -0.02 0.42 1.15 -1.01 -1.32 0.00 0.00 175.29 174.51 1wbi s HIS 54 N -1.78 2.95 -0.26 9.60 3.76 -0.56 -4.31 115.29 124.68 1wbi s HIS 54 Ca 0.25 1.55 -0.05 0.00 -0.15 0.00 0.00 55.06 56.66 1wbi s HIS 54 Cb -0.08 -3.35 -0.14 0.00 1.11 0.00 0.00 32.58 30.11 1wbi s HIS 54 CO 0.15 -1.37 -0.28 1.63 -0.85 0.00 0.00 174.74 174.02 1wbi n LYS 55 N -0.36 0.61 0.06 1.40 4.76 -1.26 -4.71 118.16 118.65 1wbi n LYS 55 Ca 0.07 0.19 -0.13 0.00 -2.87 0.00 0.00 58.31 55.57 1wbi n LYS 55 Cb 0.48 -1.49 -0.08 0.00 -1.84 0.00 0.00 35.03 32.10 1wbi n LYS 55 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1wbi h ARG 56 N -0.43 -0.11 -6.67 1.97 2.43 -1.99 -3.45 114.38 106.13 1wbi h ARG 56 Ca -0.62 0.01 -0.58 0.00 -0.81 0.00 0.00 59.98 57.98 1wbi h ARG 56 Cb 1.75 0.03 0.12 0.00 -0.42 0.00 0.00 29.97 31.45 1wbi h ARG 56 CO -0.23 0.13 0.29 0.00 -1.51 0.00 0.00 179.97 178.64 1wbi n ALA 57 N -2.26 0.54 0.21 2.80 0.00 -1.26 -4.88 120.51 115.65 1wbi n ALA 57 Ca -0.08 0.29 0.08 0.00 0.00 0.00 0.00 53.44 53.73 1wbi n ALA 57 Cb 0.16 -2.14 0.41 0.00 0.00 0.00 0.00 19.45 17.88 1wbi n ALA 57 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1wbi h SER 58 N 1.93 0.00 -2.33 0.00 0.02 -1.92 -3.33 113.55 107.92 1wbi h SER 58 Ca -0.44 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 59.91 1wbi h SER 58 Cb 1.32 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.45 1wbi h SER 58 CO 0.59 0.29 -0.73 0.00 -1.14 0.00 0.00 176.83 175.84 1wbi n GLN 59 N -3.48 1.80 -2.69 3.45 6.02 -1.26 -4.60 117.38 116.62 1wbi n GLN 59 Ca -0.00 -4.19 -0.34 0.00 -0.01 0.00 0.00 57.00 52.45 1wbi n GLN 59 Cb 0.46 -1.98 -0.05 0.00 1.02 0.00 0.00 30.24 29.68 1wbi n GLN 59 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1wbi s PRO 60 N -1.80 4.09 0.62 -1.09 0.04 -1.23 -4.63 135.00 131.01 1wbi s PRO 60 Ca 0.35 1.26 -0.09 0.00 0.04 0.00 0.00 61.00 62.56 1wbi s PRO 60 Cb 0.11 -2.22 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 1wbi s PRO 60 CO -0.08 -0.16 0.99 0.95 0.04 0.00 0.00 177.00 178.74 1wbi s THR 61 N -2.02 4.13 0.17 1.26 -4.23 -1.26 -1.15 115.64 112.54 1wbi s THR 61 Ca 0.63 0.49 -0.24 0.00 -1.18 0.00 0.00 61.69 61.38 1wbi s THR 61 Cb -0.13 -3.66 0.06 0.00 1.34 0.00 0.00 72.50 70.10 1wbi s THR 61 CO 0.18 -0.80 0.82 0.72 -0.54 0.00 0.00 174.62 174.99 1wbi s PHE 62 N -3.14 -0.24 0.06 3.99 -0.12 -0.37 -1.50 117.98 116.64 1wbi s PHE 62 Ca 0.55 -0.07 -0.14 0.00 -0.05 0.00 0.00 56.93 57.22 1wbi s PHE 62 Cb -0.11 0.64 0.02 0.00 -0.63 0.00 0.00 43.02 42.94 1wbi s PHE 62 CO 0.50 -0.92 0.31 0.20 -0.05 0.00 0.00 175.22 175.26 1wbi s GLY 63 N -2.84 -0.13 0.09 1.99 0.00 -0.44 -1.41 107.32 104.58 1wbi s GLY 63 Ca 0.09 -0.05 -0.20 0.00 0.00 0.00 0.00 44.72 44.56 1wbi s GLY 63 CO -0.00 -0.28 0.48 -0.11 0.00 0.00 0.00 173.10 173.19 1wbi s PHE 64 N -2.86 -0.35 -0.12 1.90 -0.12 -0.26 -1.22 117.98 114.95 1wbi s PHE 64 Ca -0.03 0.23 -0.00 0.00 -0.05 0.00 0.00 56.93 57.08 1wbi s PHE 64 Cb 0.00 0.33 -0.02 0.00 -0.63 0.00 0.00 43.02 42.70 1wbi s PHE 64 CO -0.05 -0.68 -0.10 0.99 -0.05 0.00 0.00 175.22 175.32 1wbi s THR 65 N -3.08 3.36 -0.21 -4.49 2.01 -0.06 -0.74 115.64 112.43 1wbi s THR 65 Ca -0.02 -0.57 -0.06 0.00 0.31 0.00 0.00 61.69 61.36 1wbi s THR 65 Cb 0.00 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 1wbi s THR 65 CO -0.07 0.54 0.02 -0.69 -0.69 0.00 0.00 174.62 173.73 1wbi s VAL 66 N 0.05 4.11 -0.56 3.82 1.01 0.23 -1.57 120.40 127.48 1wbi s VAL 66 Ca -0.03 -0.26 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 1wbi s VAL 66 Cb -0.14 -2.87 0.08 0.00 0.00 0.00 0.00 36.38 33.45 1wbi s VAL 66 CO 0.04 0.41 0.70 -2.28 0.00 0.00 0.00 175.10 173.97 1wbi s HIS 67 N 1.07 2.99 0.08 5.22 5.65 -0.71 -2.07 115.29 127.52 1wbi s HIS 67 Ca 0.03 -0.77 -0.31 0.00 0.25 0.00 0.00 55.06 54.26 1wbi s HIS 67 Cb -0.14 -3.86 -0.08 0.00 -1.18 0.00 0.00 32.58 27.32 1wbi s HIS 67 CO 0.02 -1.23 1.52 -1.58 -0.65 0.00 0.00 174.74 172.83 1wbi s TRP 68 N 2.78 2.82 -1.97 3.88 0.52 -1.23 -3.90 118.94 121.84 1wbi s TRP 68 Ca 0.14 0.63 0.29 0.00 0.02 0.00 0.00 56.10 57.17 1wbi s TRP 68 Cb -0.22 -3.83 1.23 0.00 -1.15 0.00 0.00 33.47 29.51 1wbi s TRP 68 CO 0.09 -3.14 1.85 0.09 0.02 0.00 0.00 176.95 175.86 1wbi n ASN 69 N 4.89 0.75 0.00 2.95 4.13 -1.26 -3.92 115.26 122.80 1wbi n ASN 69 Ca 0.14 -0.96 0.00 0.00 1.68 0.00 0.00 54.58 55.44 1wbi n ASN 69 Cb 0.41 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.64 1wbi n ASN 69 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 1wbi n PHE 70 N -0.60 0.00 -3.99 3.10 1.16 -1.26 -5.02 117.46 110.85 1wbi n PHE 70 Ca 0.17 -0.27 -0.11 0.00 -1.87 0.00 0.00 57.45 55.37 1wbi n PHE 70 Cb 0.28 -0.03 -0.03 0.00 -1.61 0.00 0.00 39.48 38.09 1wbi n PHE 70 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1wbi s SER 71 N -0.55 0.25 0.00 5.98 1.04 -1.25 -4.96 113.70 114.21 1wbi s SER 71 Ca 0.00 -1.14 0.29 0.00 0.48 0.00 0.00 55.95 55.59 1wbi s SER 71 Cb 0.00 0.66 1.35 0.00 0.10 0.00 0.00 66.02 68.13 1wbi s SER 71 CO 0.00 -1.30 1.92 -0.62 0.98 0.00 0.00 173.24 174.22 1wbi n GLU 72 N -0.47 1.10 -2.17 4.02 -0.58 -1.26 -4.73 120.64 116.56 1wbi n GLU 72 Ca -0.02 -0.42 -0.30 0.00 -0.42 0.00 0.00 57.16 56.00 1wbi n GLU 72 Cb 0.61 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 1wbi n GLU 72 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1wbi s SER 73 N -2.18 6.27 0.00 1.62 0.01 -1.26 -4.56 113.70 113.60 1wbi s SER 73 Ca 0.37 1.27 0.00 0.00 1.31 0.00 0.00 55.95 58.91 1wbi s SER 73 Cb 0.21 -2.40 -0.00 0.00 0.21 0.00 0.00 66.02 64.03 1wbi s SER 73 CO 0.40 -0.75 -0.02 -0.89 0.41 0.00 0.00 173.24 172.39 1wbi s THR 74 N -2.99 0.12 0.16 1.44 2.01 -0.95 -3.50 115.64 111.94 1wbi s THR 74 Ca 0.53 -0.20 0.11 0.00 0.31 0.00 0.00 61.69 62.44 1wbi s THR 74 Cb -0.11 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 1wbi s THR 74 CO 0.49 -0.05 -0.25 -0.44 -0.69 0.00 0.00 174.62 173.68 1wbi s SER 75 N -0.27 3.30 0.02 3.53 0.01 -0.88 -0.21 113.70 119.20 1wbi s SER 75 Ca -0.02 -0.80 0.04 0.00 1.31 0.00 0.00 55.95 56.49 1wbi s SER 75 Cb -0.02 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.97 1wbi s SER 75 CO -0.00 0.14 -0.13 0.68 0.41 0.00 0.00 173.24 174.34 1wbi s VAL 76 N -1.35 1.06 -0.02 3.43 -7.23 -0.28 -0.60 120.40 115.40 1wbi s VAL 76 Ca 0.16 -0.79 0.06 0.00 -1.81 0.00 0.00 61.98 59.60 1wbi s VAL 76 Cb -0.09 -0.93 -0.01 0.00 0.56 0.00 0.00 36.38 35.91 1wbi s VAL 76 CO 0.07 0.13 -0.19 -0.36 -0.31 0.00 0.00 175.10 174.44 1wbi s PHE 77 N -0.60 1.76 0.01 2.82 0.08 0.08 -1.21 117.98 120.92 1wbi s PHE 77 Ca 0.03 -0.36 0.01 0.00 0.12 0.00 0.00 56.93 56.73 1wbi s PHE 77 Cb -0.07 -1.14 -0.01 0.00 -0.57 0.00 0.00 43.02 41.23 1wbi s PHE 77 CO 0.00 -0.05 -0.04 0.54 -0.10 0.00 0.00 175.22 175.58 1wbi s VAL 78 N -0.40 0.27 0.00 -0.44 0.11 -0.19 -1.10 120.40 118.65 1wbi s VAL 78 Ca 0.06 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 58.60 1wbi s VAL 78 Cb -0.08 -0.30 0.00 0.00 -1.53 0.00 0.00 36.38 34.47 1wbi s VAL 78 CO -0.00 -0.16 0.00 0.61 -3.33 0.00 0.00 175.10 172.22 1wbi n GLY 79 N 2.35 0.96 2.91 6.54 0.00 -0.50 -1.32 105.19 116.13 1wbi n GLY 79 Ca -0.17 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 1wbi n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wbi s GLN 80 N 0.31 0.14 -0.22 1.61 0.74 -0.74 -1.24 119.66 120.27 1wbi s GLN 80 Ca 0.00 -0.14 -0.15 0.00 0.05 0.00 0.00 55.36 55.12 1wbi s GLN 80 Cb 0.00 -0.08 -0.04 0.00 1.10 0.00 0.00 33.01 33.98 1wbi s GLN 80 CO 0.00 0.02 0.36 0.00 -0.55 0.00 0.00 175.29 175.12 1wbi s PHE 82 N 1.37 2.76 -0.07 0.00 0.08 -0.01 -3.56 117.98 118.55 1wbi s PHE 82 Ca 0.17 -0.14 0.00 0.00 0.12 0.00 0.00 56.93 57.08 1wbi s PHE 82 Cb -0.15 -1.46 0.02 0.00 -0.57 0.00 0.00 43.02 40.87 1wbi s PHE 82 CO 0.08 0.42 -0.05 0.54 -0.10 0.00 0.00 175.22 176.11 1wbi s VAL 83 N -1.19 0.66 0.81 -0.44 0.11 -1.26 -1.06 120.40 118.02 1wbi s VAL 83 Ca 0.21 -0.13 -0.10 0.00 -2.93 0.00 0.00 61.98 59.03 1wbi s VAL 83 Cb -0.11 -0.70 0.12 0.00 -1.53 0.00 0.00 36.38 34.15 1wbi s VAL 83 CO 0.13 0.28 1.14 1.51 -3.33 0.00 0.00 175.10 174.83 1wbi s ASP 84 N 1.33 4.16 0.45 3.54 1.47 -0.60 -4.91 116.67 122.12 1wbi s ASP 84 Ca -0.04 0.35 0.31 0.00 1.18 0.00 0.00 52.55 54.35 1wbi s ASP 84 Cb -0.14 -0.74 1.42 0.00 -0.34 0.00 0.00 42.92 43.12 1wbi s ASP 84 CO -0.03 -2.05 1.93 0.08 0.68 0.00 0.00 175.17 175.78 1wbi h ARG 85 N -1.01 0.00 -0.00 2.11 0.11 -2.01 -0.27 114.38 113.31 1wbi h ARG 85 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 1wbi h ARG 85 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 1wbi h ARG 85 CO 0.52 0.00 -0.03 0.43 0.10 0.00 0.00 179.97 180.99 1wbi n SER 86 N -2.72 0.04 0.00 0.08 7.64 -1.26 -4.93 113.62 112.47 1wbi n SER 86 Ca 0.00 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1wbi n SER 86 Cb 0.21 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 1wbi n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wbi n GLY 87 N 1.43 0.56 3.71 0.23 0.00 -0.11 -5.06 105.19 105.95 1wbi n GLY 87 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1wbi n GLY 87 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wbi s LYS 88 N -0.91 4.51 -0.13 1.61 2.20 -1.26 -4.79 119.74 120.97 1wbi s LYS 88 Ca 0.00 1.56 -0.09 0.00 -0.36 0.00 0.00 55.97 57.09 1wbi s LYS 88 Cb 0.00 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 1wbi s LYS 88 CO 0.00 -0.13 0.17 -1.21 -0.36 0.00 0.00 175.35 173.82 1wbi s GLU 89 N 1.02 3.67 -0.02 4.03 2.02 -1.26 -1.56 118.70 126.60 1wbi s GLU 89 Ca 0.55 -0.09 0.01 0.00 0.02 0.00 0.00 54.97 55.46 1wbi s GLU 89 Cb -0.24 -3.25 0.01 0.00 0.10 0.00 0.00 34.13 30.75 1wbi s GLU 89 CO 0.28 0.65 -0.04 0.08 0.02 0.00 0.00 175.26 176.26 1wbi s VAL 90 N -0.68 0.40 -0.36 2.63 1.01 -0.23 -4.50 120.40 118.67 1wbi s VAL 90 Ca 0.14 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.83 1wbi s VAL 90 Cb -0.12 -0.40 -0.00 0.00 0.00 0.00 0.00 36.38 35.85 1wbi s VAL 90 CO 0.04 0.16 0.40 -0.76 0.00 0.00 0.00 175.10 174.93 1wbi s LEU 91 N 0.43 4.55 -0.32 3.92 1.43 0.00 -0.83 118.68 127.85 1wbi s LEU 91 Ca -0.05 -0.33 -0.18 0.00 -1.03 0.00 0.00 54.13 52.54 1wbi s LEU 91 Cb -0.08 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.75 1wbi s LEU 91 CO -0.00 -0.42 0.53 -0.54 0.23 0.00 0.00 176.35 176.14 1wbi s LYS 92 N 2.09 3.77 0.15 1.70 -0.14 -0.50 -1.02 119.74 125.78 1wbi s LYS 92 Ca 0.12 0.02 0.07 0.00 -1.36 0.00 0.00 55.97 54.82 1wbi s LYS 92 Cb -0.17 -3.76 -0.04 0.00 -1.68 0.00 0.00 37.83 32.19 1wbi s LYS 92 CO 0.12 -0.56 -0.16 0.95 -0.76 0.00 0.00 175.35 174.95 1wbi s THR 93 N 2.40 1.60 0.12 2.17 -4.23 -0.21 -1.78 115.64 115.71 1wbi s THR 93 Ca 0.20 -1.89 0.09 0.00 -1.18 0.00 0.00 61.69 58.91 1wbi s THR 93 Cb -0.15 -1.75 -0.04 0.00 1.34 0.00 0.00 72.50 71.90 1wbi s THR 93 CO 0.12 -0.41 -0.21 -0.54 -0.54 0.00 0.00 174.62 173.04 1wbi s LYS 94 N -2.90 1.19 0.06 3.99 1.02 -0.44 -1.72 119.74 120.94 1wbi s LYS 94 Ca 0.14 -1.23 0.01 0.00 0.02 0.00 0.00 55.97 54.91 1wbi s LYS 94 Cb -0.04 -1.46 -0.04 0.00 -0.52 0.00 0.00 37.83 35.77 1wbi s LYS 94 CO 0.05 0.34 -0.05 1.67 -0.92 0.00 0.00 175.35 176.44 1wbi s TRP 95 N -1.27 0.62 -0.04 3.18 1.48 -0.13 -1.02 118.94 121.76 1wbi s TRP 95 Ca 0.09 -0.85 0.06 0.00 -1.06 0.00 0.00 56.10 54.34 1wbi s TRP 95 Cb -0.09 -0.40 -0.01 0.00 -1.16 0.00 0.00 33.47 31.80 1wbi s TRP 95 CO 0.05 -0.23 -0.22 -0.51 -4.06 0.00 0.00 176.95 171.98 1wbi s LEU 96 N -2.53 2.02 -0.17 -4.66 1.43 -0.35 -1.69 118.68 112.72 1wbi s LEU 96 Ca 0.02 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1wbi s LEU 96 Cb 0.02 -1.19 0.00 0.00 0.03 0.00 0.00 46.19 45.05 1wbi s LEU 96 CO -0.05 0.23 -0.14 -1.58 0.23 0.00 0.00 176.35 175.04 1wbi s GLN 97 N -0.25 3.20 -0.19 1.70 0.74 -0.25 -1.13 119.66 123.48 1wbi s GLN 97 Ca 0.01 -0.74 -0.14 0.00 0.05 0.00 0.00 55.36 54.54 1wbi s GLN 97 Cb -0.11 -2.70 -0.04 0.00 1.10 0.00 0.00 33.01 31.25 1wbi s GLN 97 CO 0.02 -0.08 0.30 0.50 -0.55 0.00 0.00 175.29 175.48 1wbi s ARG 98 N 1.07 4.19 0.15 1.67 6.06 0.70 -1.03 118.95 131.76 1wbi s ARG 98 Ca -0.00 0.06 -0.04 0.00 -2.50 0.00 0.00 55.73 53.24 1wbi s ARG 98 Cb -0.15 -3.49 -0.05 0.00 0.06 0.00 0.00 34.95 31.33 1wbi s ARG 98 CO -0.04 0.11 0.38 -0.51 -2.50 0.00 0.00 175.30 172.74 1wbi s LEU 99 N 0.87 4.26 0.01 -0.88 2.01 0.17 -2.23 118.68 122.88 1wbi s LEU 99 Ca 0.15 0.56 -0.27 0.00 0.01 0.00 0.00 54.13 54.58 1wbi s LEU 99 Cb -0.14 -3.29 -0.04 0.00 0.01 0.00 0.00 46.19 42.73 1wbi s LEU 99 CO 0.05 0.03 0.86 0.00 1.01 0.00 0.00 176.35 178.30 1wbi s ALA 100 N -1.70 3.26 0.29 4.21 0.00 -1.26 -4.85 121.76 121.71 1wbi s ALA 100 Ca 0.41 0.38 0.10 0.00 0.00 0.00 0.00 51.96 52.85 1wbi s ALA 100 Cb -0.12 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 1wbi s ALA 100 CO 0.26 -0.11 -0.15 0.14 0.00 0.00 0.00 175.76 175.90 1wbi s VAL 101 N 0.60 2.22 0.16 0.00 -7.23 -1.26 -5.05 120.40 109.84 1wbi s VAL 101 Ca 0.45 -2.30 0.05 0.00 -1.81 0.00 0.00 61.98 58.37 1wbi s VAL 101 Cb -0.20 -2.37 -0.16 0.00 0.56 0.00 0.00 36.38 34.20 1wbi s VAL 101 CO 0.24 -0.37 1.36 0.44 -0.31 0.00 0.00 175.10 176.47 1wbi h ASP 102 N 2.25 0.11 -4.53 4.85 3.32 -1.97 -3.45 116.42 116.99 1wbi h ASP 102 Ca -0.40 -0.10 -0.28 0.00 0.02 0.00 0.00 57.03 56.26 1wbi h ASP 102 Cb 1.25 -0.04 -0.23 0.00 0.22 0.00 0.00 39.33 40.53 1wbi h ASP 102 CO 0.64 0.96 -0.74 -0.62 -1.72 0.00 0.00 179.24 177.76 1wbi s ASP 103 N -6.84 0.76 0.55 6.45 2.15 -1.26 -5.02 116.67 113.46 1wbi s ASP 103 Ca -0.01 -0.42 0.25 0.00 0.43 0.00 0.00 52.55 52.80 1wbi s ASP 103 Cb 0.10 0.01 1.46 0.00 -0.30 0.00 0.00 42.92 44.19 1wbi s ASP 103 CO 0.82 -0.13 2.05 -0.29 -0.17 0.00 0.00 175.17 177.45 1wbi h ILE 104 N 4.65 0.69 0.00 4.11 2.10 -2.02 -0.25 117.51 126.78 1wbi h ILE 104 Ca -0.33 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.61 1wbi h ILE 104 Cb 1.20 0.81 0.00 0.00 -1.09 0.00 0.00 36.82 37.74 1wbi h ILE 104 CO 0.43 0.00 0.00 0.77 -1.08 0.00 0.00 178.15 178.27 1wbi h SER 105 N 0.00 0.00 -0.57 2.19 4.64 -2.00 -2.04 113.55 115.77 1wbi h SER 105 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1wbi h SER 105 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1wbi h SER 105 CO -0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 1wbi n ASP 106 N -2.68 3.69 -0.22 4.97 8.00 -0.10 -4.58 116.55 125.63 1wbi n ASP 106 Ca -0.00 -2.00 0.20 0.00 0.71 0.00 0.00 54.79 53.70 1wbi n ASP 106 Cb 0.17 -0.38 0.55 0.00 -0.02 0.00 0.00 41.12 41.43 1wbi n ASP 106 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1wbi h ASP 107 N 4.36 0.34 -0.21 -2.24 3.58 -1.46 -2.47 116.42 118.33 1wbi h ASP 107 Ca 0.00 0.03 0.06 0.00 0.42 0.00 0.00 57.03 57.54 1wbi h ASP 107 Cb 0.98 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 1wbi h ASP 107 CO 0.00 0.14 0.21 4.11 -2.88 0.00 0.00 179.24 180.82 1wbi h TRP 108 N 0.34 0.00 0.00 0.28 5.08 -1.84 -2.24 115.95 117.57 1wbi h TRP 108 Ca 0.45 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.42 1wbi h TRP 108 Cb 1.21 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.37 1wbi h TRP 108 CO -0.00 0.00 -0.47 1.51 -1.28 0.00 0.00 178.44 178.20 1wbi n ILE 109 N -3.87 0.07 1.23 0.12 3.06 -0.93 -4.56 119.36 114.48 1wbi n ILE 109 Ca 0.02 -0.05 0.13 0.00 -2.50 0.00 0.00 62.75 60.34 1wbi n ILE 109 Cb 0.35 0.09 0.34 0.00 0.54 0.00 0.00 39.64 40.95 1wbi n ILE 109 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1wbi n ALA 110 N -1.57 3.11 -4.04 1.51 0.00 -0.84 -4.84 120.51 113.84 1wbi n ALA 110 Ca 0.05 -0.44 -0.31 0.00 0.00 0.00 0.00 53.44 52.74 1wbi n ALA 110 Cb 0.36 -1.09 -0.16 0.00 0.00 0.00 0.00 19.45 18.56 1wbi n ALA 110 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wbi s THR 111 N -2.47 1.78 0.22 0.00 2.01 -1.26 -0.66 115.64 115.27 1wbi s THR 111 Ca 0.24 -0.93 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 1wbi s THR 111 Cb 0.19 -1.74 -0.05 0.00 0.01 0.00 0.00 72.50 70.91 1wbi s THR 111 CO 0.51 0.34 0.47 -0.13 -0.69 0.00 0.00 174.62 175.13 1wbi s ARG 112 N 1.37 3.63 0.08 4.92 0.52 -0.20 -4.92 118.95 124.34 1wbi s ARG 112 Ca 0.02 -0.05 0.07 0.00 -0.52 0.00 0.00 55.73 55.25 1wbi s ARG 112 Cb -0.15 -2.74 -0.03 0.00 0.52 0.00 0.00 34.95 32.55 1wbi s ARG 112 CO -0.10 0.34 -0.18 0.54 0.02 0.00 0.00 175.30 175.92 1wbi s VAL 113 N -1.88 1.41 0.00 3.52 0.11 -1.26 -1.09 120.40 121.20 1wbi s VAL 113 Ca 0.43 -1.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.13 1wbi s VAL 113 Cb -0.11 -1.30 0.00 0.00 -1.53 0.00 0.00 36.38 33.44 1wbi s VAL 113 CO 0.27 -0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.57 1wbi n GLY 114 N 1.34 1.57 3.11 6.54 0.00 -0.68 -5.00 105.19 112.06 1wbi n GLY 114 Ca -0.20 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 1wbi n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wbi s ASN 115 N -0.08 0.27 -0.11 1.61 4.22 -1.26 -0.95 114.94 118.63 1wbi s ASN 115 Ca 0.00 -0.69 -0.18 0.00 -2.14 0.00 0.00 52.86 49.86 1wbi s ASN 115 Cb 0.00 0.22 0.04 0.00 1.28 0.00 0.00 41.25 42.79 1wbi s ASN 115 CO 0.00 -0.54 0.45 0.20 -2.04 0.00 0.00 177.10 175.17 1wbi s ASN 116 N -2.39 -0.42 -0.12 3.54 0.02 -0.70 -4.96 114.94 109.90 1wbi s ASN 116 Ca -0.01 0.67 -0.02 0.00 -1.02 0.00 0.00 52.86 52.48 1wbi s ASN 116 Cb 0.02 0.71 -0.03 0.00 0.02 0.00 0.00 41.25 41.97 1wbi s ASN 116 CO -0.07 -0.30 -0.05 -1.81 0.02 0.00 0.00 177.10 174.89 1wbi s ASP 117 N -0.39 4.69 -0.01 -1.22 1.01 -1.26 -1.04 116.67 118.46 1wbi s ASP 117 Ca -0.05 -0.10 0.04 0.00 0.71 0.00 0.00 52.55 53.14 1wbi s ASP 117 Cb -0.03 -1.58 -0.03 0.00 1.01 0.00 0.00 42.92 42.29 1wbi s ASP 117 CO 0.03 0.24 -0.11 -0.36 0.21 0.00 0.00 175.17 175.17 1wbi s PHE 118 N -0.04 2.78 0.15 4.23 0.08 -0.19 -2.70 117.98 122.29 1wbi s PHE 118 Ca 0.01 -0.11 0.04 0.00 0.12 0.00 0.00 56.93 56.98 1wbi s PHE 118 Cb -0.13 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 40.68 1wbi s PHE 118 CO 0.03 0.30 -0.08 0.95 -0.10 0.00 0.00 175.22 176.32 1wbi s THR 119 N -0.91 1.03 0.43 0.64 -4.23 -0.52 -0.82 115.64 111.26 1wbi s THR 119 Ca 0.15 -2.03 -0.26 0.00 -1.18 0.00 0.00 61.69 58.37 1wbi s THR 119 Cb -0.11 -1.88 -0.09 0.00 1.34 0.00 0.00 72.50 71.76 1wbi s THR 119 CO 0.05 -0.71 1.40 -0.13 -0.54 0.00 0.00 174.62 174.69 1wbi s ARG 120 N -3.79 3.81 0.00 3.99 0.52 -1.26 -1.31 118.95 120.92 1wbi s ARG 120 Ca 0.17 2.37 0.24 0.00 -0.52 0.00 0.00 55.73 57.99 1wbi s ARG 120 Cb 0.04 -2.72 1.46 0.00 0.52 0.00 0.00 34.95 34.24 1wbi s ARG 120 CO 0.01 -0.70 1.82 0.94 0.02 0.00 0.00 175.30 177.39