#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wbi s ARG 2 N 0.00 4.40 0.33 0.00 3.52 -1.26 -4.99 118.95 120.94 1wbi s ARG 2 Ca 0.00 1.99 -0.29 0.00 -0.13 0.00 0.00 55.73 57.30 1wbi s ARG 2 Cb 0.00 -3.23 -0.11 0.00 -1.56 0.00 0.00 34.95 30.04 1wbi s ARG 2 CO 0.00 -0.26 1.56 0.15 -0.81 0.00 0.00 175.30 175.94 1wbi s LYS 3 N 0.27 4.11 -0.95 5.12 -0.14 -1.26 -2.58 119.74 124.31 1wbi s LYS 3 Ca 0.58 2.58 0.00 0.00 -1.36 0.00 0.00 55.97 57.77 1wbi s LYS 3 Cb -0.35 -3.00 0.00 0.00 -1.68 0.00 0.00 37.83 32.80 1wbi s LYS 3 CO 0.35 -0.60 0.00 0.00 -0.76 0.00 0.00 175.35 174.34 1wbi s SER 5 N -2.67 7.23 0.30 0.00 0.15 -1.06 -4.84 113.70 112.79 1wbi s SER 5 Ca 0.00 1.82 0.26 0.00 0.70 0.00 0.00 55.95 58.73 1wbi s SER 5 Cb 0.00 -2.57 0.94 0.00 -1.71 0.00 0.00 66.02 62.67 1wbi s SER 5 CO 0.00 -0.37 1.76 -0.07 1.20 0.00 0.00 173.24 175.76 1wbi h LEU 6 N 6.86 0.00 -9.40 3.45 4.07 -1.92 -3.44 115.31 114.93 1wbi h LEU 6 Ca -0.41 0.00 -0.63 0.00 0.08 0.00 0.00 57.88 56.92 1wbi h LEU 6 Cb 1.21 0.00 0.07 0.00 1.08 0.00 0.00 40.66 43.02 1wbi h LEU 6 CO 0.78 0.00 0.48 0.41 -1.08 0.00 0.00 178.44 179.04 1wbi n THR 7 N -2.42 0.52 0.00 0.22 -1.04 -1.26 -4.57 114.28 105.73 1wbi n THR 7 Ca 0.03 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1wbi n THR 7 Cb 0.32 -1.09 0.00 0.00 -1.82 0.00 0.00 70.33 67.74 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 2.41 0.53 3.32 3.41 0.00 -0.30 -4.94 105.19 109.62 1wbi n GLY 8 Ca 0.15 -2.24 -0.32 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.25 3.00 0.00 1.61 8.01 -1.26 -0.71 118.70 129.10 1wbi s GLU 9 Ca 0.00 -0.79 0.02 0.00 0.01 0.00 0.00 54.97 54.21 1wbi s GLU 9 Cb 0.00 -2.40 -0.01 0.00 -4.31 0.00 0.00 34.13 27.41 1wbi s GLU 9 CO 0.00 0.29 -0.07 -1.58 0.01 0.00 0.00 175.26 173.91 1wbi s TRP 10 N 0.11 0.60 0.06 1.61 0.52 -0.41 -0.81 118.94 120.62 1wbi s TRP 10 Ca -0.09 -0.15 0.04 0.00 0.02 0.00 0.00 56.10 55.92 1wbi s TRP 10 Cb -0.15 -0.38 -0.04 0.00 -1.15 0.00 0.00 33.47 31.75 1wbi s TRP 10 CO 0.06 -0.01 -0.01 -0.51 0.02 0.00 0.00 176.95 176.49 1wbi s ASP 11 N -0.30 4.96 0.48 2.95 1.01 -0.15 -1.15 116.67 124.48 1wbi s ASP 11 Ca 0.01 -0.15 0.03 0.00 0.71 0.00 0.00 52.55 53.15 1wbi s ASP 11 Cb -0.03 -1.19 -0.03 0.00 1.01 0.00 0.00 42.92 42.68 1wbi s ASP 11 CO -0.00 0.21 0.01 0.54 0.21 0.00 0.00 175.17 176.14 1wbi s ASN 12 N -2.03 4.08 0.00 0.27 2.20 -0.29 -1.21 114.94 117.95 1wbi s ASN 12 Ca 0.23 -1.57 0.17 0.00 -0.94 0.00 0.00 52.86 50.76 1wbi s ASN 12 Cb -0.12 0.27 0.81 0.00 -2.00 0.00 0.00 41.25 40.22 1wbi s ASN 12 CO 0.15 -0.75 1.54 -0.90 -2.94 0.00 0.00 177.10 174.20 1wbi n ASP 13 N -1.19 0.00 -0.67 3.54 5.75 -1.07 -1.46 116.55 121.44 1wbi n ASP 13 Ca -0.15 0.27 0.12 0.00 -0.01 0.00 0.00 54.79 55.02 1wbi n ASP 13 Cb 0.67 -0.39 0.23 0.00 -1.03 0.00 0.00 41.12 40.60 1wbi n ASP 13 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1wbi n LEU 14 N -1.39 2.21 0.00 -2.12 4.77 -1.26 -4.96 117.00 114.24 1wbi n LEU 14 Ca 0.06 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 1wbi n LEU 14 Cb 0.17 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1wbi n LEU 14 CO 0.15 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1wbi n GLY 15 N 1.31 0.74 3.82 -0.72 0.00 -0.53 -4.65 105.19 105.15 1wbi n GLY 15 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.32 5.39 0.02 1.61 0.01 -1.26 -4.42 113.70 112.72 1wbi s SER 16 Ca 0.00 1.60 0.02 0.00 1.31 0.00 0.00 55.95 58.88 1wbi s SER 16 Cb 0.00 -2.48 -0.01 0.00 0.21 0.00 0.00 66.02 63.74 1wbi s SER 16 CO 0.00 -1.44 -0.07 -0.63 0.41 0.00 0.00 173.24 171.52 1wbi s ILE 17 N -3.05 0.49 0.04 1.44 1.01 -0.45 -1.14 121.20 119.53 1wbi s ILE 17 Ca 0.58 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.66 1wbi s ILE 17 Cb -0.14 -0.48 -0.02 0.00 0.01 0.00 0.00 42.46 41.83 1wbi s ILE 17 CO 0.55 -0.08 -0.08 0.00 0.00 0.00 0.00 174.94 175.32 1wbi s MET 18 N -0.74 0.56 -0.10 2.79 0.23 -0.30 -0.06 119.30 121.68 1wbi s MET 18 Ca -0.03 -0.69 0.01 0.00 -1.03 0.00 0.00 55.69 53.96 1wbi s MET 18 Cb -0.05 -0.40 0.02 0.00 -1.53 0.00 0.00 34.83 32.87 1wbi s MET 18 CO 0.00 0.08 -0.12 0.95 -2.03 0.00 0.00 175.02 173.90 1wbi s THR 19 N -1.14 1.29 -0.04 3.16 -4.23 -0.54 -1.29 115.64 112.85 1wbi s THR 19 Ca -0.07 -0.50 0.06 0.00 -1.18 0.00 0.00 61.69 60.00 1wbi s THR 19 Cb -0.09 -1.21 -0.02 0.00 1.34 0.00 0.00 72.50 72.52 1wbi s THR 19 CO 0.01 0.40 -0.24 -0.63 -0.54 0.00 0.00 174.62 173.62 1wbi s ILE 20 N 1.18 2.19 0.00 2.99 1.01 0.11 -0.79 121.20 127.89 1wbi s ILE 20 Ca -0.04 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.58 1wbi s ILE 20 Cb -0.14 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.54 1wbi s ILE 20 CO -0.03 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.09 1wbi n GLY 21 N 2.71 -0.66 3.76 6.18 0.00 -0.27 -1.16 105.19 115.76 1wbi n GLY 21 Ca -0.17 -1.67 -0.39 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 -3.86 3.16 -0.19 4.61 0.00 -1.26 -4.04 121.76 120.18 1wbi s ALA 22 Ca 0.00 1.28 -0.15 0.00 0.00 0.00 0.00 51.96 53.09 1wbi s ALA 22 Cb 0.00 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 1wbi s ALA 22 CO 0.00 -0.99 0.37 0.08 0.00 0.00 0.00 175.76 175.22 1wbi s VAL 23 N -1.28 5.23 0.72 0.00 1.01 -1.26 -4.55 120.40 120.26 1wbi s VAL 23 Ca 0.61 0.66 -0.10 0.00 0.00 0.00 0.00 61.98 63.14 1wbi s VAL 23 Cb -0.39 -3.70 0.16 0.00 0.00 0.00 0.00 36.38 32.45 1wbi s VAL 23 CO 0.49 0.29 0.98 -0.46 0.00 0.00 0.00 175.10 176.40 1wbi n ASN 24 N 4.25 0.25 0.26 3.32 0.23 -0.31 -4.84 115.26 118.41 1wbi n ASN 24 Ca -0.09 -1.46 0.13 0.00 -0.53 0.00 0.00 54.58 52.62 1wbi n ASN 24 Cb 0.51 -0.73 0.72 0.00 -2.08 0.00 0.00 39.78 38.21 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 -1.19 0.00 -0.23 0.53 3.32 -1.98 -1.25 116.42 115.62 1wbi h ASP 25 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1wbi h ASP 25 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1wbi h ASP 25 CO 0.24 0.12 0.00 0.59 -1.72 0.00 0.00 179.24 178.47 1wbi n ASN 26 N -3.64 2.52 0.00 6.45 3.02 -1.26 -4.95 115.26 117.40 1wbi n ASN 26 Ca -0.02 -1.84 0.00 0.00 -0.03 0.00 0.00 54.58 52.69 1wbi n ASN 26 Cb 0.24 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1wbi n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wbi n GLY 27 N 1.31 0.72 3.78 7.41 0.00 -0.47 -4.81 105.19 113.12 1wbi n GLY 27 Ca 0.17 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 -0.65 4.53 0.08 1.61 2.02 -1.26 -0.69 118.70 124.35 1wbi s GLU 28 Ca 0.00 1.37 -0.11 0.00 0.02 0.00 0.00 54.97 56.24 1wbi s GLU 28 Cb 0.00 -2.78 0.01 0.00 0.10 0.00 0.00 34.13 31.46 1wbi s GLU 28 CO 0.00 0.22 0.26 -0.59 0.02 0.00 0.00 175.26 175.17 1wbi s PHE 29 N -1.61 0.02 0.30 1.61 -0.12 -0.33 -1.17 117.98 116.68 1wbi s PHE 29 Ca 0.51 -0.34 0.02 0.00 -0.05 0.00 0.00 56.93 57.08 1wbi s PHE 29 Cb -0.19 0.04 -0.05 0.00 -0.63 0.00 0.00 43.02 42.18 1wbi s PHE 29 CO 0.25 -0.55 0.09 0.16 -0.05 0.00 0.00 175.22 175.12 1wbi s ASP 30 N -2.59 1.76 0.00 1.98 1.47 -1.26 -1.24 116.67 116.80 1wbi s ASP 30 Ca 0.01 -1.42 0.00 0.00 1.18 0.00 0.00 52.55 52.32 1wbi s ASP 30 Cb 0.02 0.12 0.00 0.00 -0.34 0.00 0.00 42.92 42.72 1wbi s ASP 30 CO -0.09 -0.71 0.00 0.61 0.68 0.00 0.00 175.17 175.66 1wbi n GLY 31 N -0.59 -1.24 3.14 2.12 0.00 -0.82 -1.11 105.19 106.68 1wbi n GLY 31 Ca -0.01 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 1wbi n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wbi s THR 32 N -2.95 1.64 -0.15 2.61 2.01 0.03 -1.25 115.64 117.58 1wbi s THR 32 Ca 0.00 -0.78 -0.06 0.00 0.31 0.00 0.00 61.69 61.16 1wbi s THR 32 Cb 0.00 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 1wbi s THR 32 CO 0.00 0.47 0.05 -0.47 -0.69 0.00 0.00 174.62 173.98 1wbi s TYR 33 N 0.42 3.26 -0.51 4.92 5.04 0.10 -1.46 117.35 129.12 1wbi s TYR 33 Ca -0.15 0.14 0.04 0.00 -2.44 0.00 0.00 57.07 54.65 1wbi s TYR 33 Cb -0.16 -1.97 0.13 0.00 0.35 0.00 0.00 41.96 40.31 1wbi s TYR 33 CO 0.06 0.31 0.27 0.42 -1.34 0.00 0.00 175.55 175.27 1wbi s ILE 34 N -0.17 2.27 0.34 3.14 1.01 0.92 -1.97 121.20 126.74 1wbi s ILE 34 Ca 0.07 -3.18 -0.28 0.00 0.00 0.00 0.00 60.65 57.26 1wbi s ILE 34 Cb -0.12 -2.57 -0.09 0.00 0.01 0.00 0.00 42.46 39.69 1wbi s ILE 34 CO 0.01 -0.85 1.21 0.28 0.00 0.00 0.00 174.94 175.60 1wbi s THR 35 N -0.21 3.05 -1.14 2.92 -1.32 -1.26 -1.35 115.64 116.33 1wbi s THR 35 Ca 0.18 1.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.91 1wbi s THR 35 Cb -0.24 -3.61 0.03 0.00 -1.51 0.00 0.00 72.50 67.17 1wbi s THR 35 CO -0.01 0.19 1.39 0.00 -2.21 0.00 0.00 174.62 173.98 1wbi n ALA 36 N 0.66 3.57 -2.76 11.08 0.00 -1.26 -4.91 120.51 126.88 1wbi n ALA 36 Ca 0.01 -0.38 -0.10 0.00 0.00 0.00 0.00 53.44 52.97 1wbi n ALA 36 Cb 0.44 -1.09 -0.11 0.00 0.00 0.00 0.00 19.45 18.69 1wbi n ALA 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1wbi s VAL 37 N -2.91 0.24 0.16 0.00 -7.23 -1.26 -4.99 120.40 104.41 1wbi s VAL 37 Ca 0.13 -1.15 -0.25 0.00 -1.81 0.00 0.00 61.98 58.91 1wbi s VAL 37 Cb 0.18 -0.62 0.06 0.00 0.56 0.00 0.00 36.38 36.56 1wbi s VAL 37 CO 0.68 -0.58 0.86 0.00 -0.31 0.00 0.00 175.10 175.76 1wbi s ALA 38 N -1.97 -1.58 0.35 1.32 0.00 -1.26 -4.99 121.76 113.62 1wbi s ALA 38 Ca -0.09 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.11 1wbi s ALA 38 Cb -0.06 0.67 0.66 0.00 0.00 0.00 0.00 23.12 24.39 1wbi s ALA 38 CO -0.02 -0.96 1.97 -0.44 0.00 0.00 0.00 175.76 176.31 1wbi h ASP 39 N 2.00 0.73 -2.98 0.00 3.32 -2.02 -3.31 116.42 114.17 1wbi h ASP 39 Ca -0.23 -0.01 -0.60 0.00 0.02 0.00 0.00 57.03 56.20 1wbi h ASP 39 Cb 1.24 -0.17 -0.40 0.00 0.22 0.00 0.00 39.33 40.23 1wbi h ASP 39 CO 0.27 0.50 -0.78 0.20 -1.72 0.00 0.00 179.24 177.71 1wbi s ASN 40 N -6.29 3.19 0.55 6.45 0.01 -1.26 -5.00 114.94 112.58 1wbi s ASN 40 Ca -0.10 -3.05 0.23 0.00 -0.71 0.00 0.00 52.86 49.23 1wbi s ASN 40 Cb 0.19 -0.95 1.46 0.00 0.41 0.00 0.00 41.25 42.35 1wbi s ASN 40 CO 0.77 -0.19 2.12 -0.65 -1.51 0.00 0.00 177.10 177.64 1wbi h PRO 41 N 6.07 0.00 0.00 -0.60 0.11 -1.95 -1.60 132.00 134.03 1wbi h PRO 41 Ca 0.12 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 1wbi h PRO 41 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1wbi h PRO 41 CO 0.49 0.00 -0.00 0.78 -0.21 0.00 0.00 178.00 179.06 1wbi h GLY 42 N 0.00 0.00 -0.30 -0.55 0.00 -1.94 -2.34 103.07 97.94 1wbi h GLY 42 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1wbi h GLY 42 CO -0.00 0.00 -0.21 0.70 0.00 0.00 0.00 176.54 177.02 1wbi n ASN 43 N -3.10 1.45 -4.67 0.19 3.02 -0.60 -4.98 115.26 106.58 1wbi n ASN 43 Ca -0.01 -1.22 -0.45 0.00 -0.03 0.00 0.00 54.58 52.87 1wbi n ASN 43 Cb 0.22 0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.51 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 -0.20 0.94 -4.00 2.41 5.41 -0.88 -4.78 119.36 118.26 1wbi n ILE 44 Ca 0.13 -0.24 -0.11 0.00 1.00 0.00 0.00 62.75 63.54 1wbi n ILE 44 Cb 0.39 -1.45 -0.04 0.00 -0.71 0.00 0.00 39.64 37.84 1wbi n ILE 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1wbi s THR 45 N -0.06 0.00 0.32 1.39 -1.32 -1.26 -5.11 115.64 109.60 1wbi s THR 45 Ca 0.68 -1.41 -0.29 0.00 -1.21 0.00 0.00 61.69 59.47 1wbi s THR 45 Cb -0.66 -2.44 -0.12 0.00 -1.51 0.00 0.00 72.50 67.77 1wbi s THR 45 CO 0.50 0.00 1.42 0.18 -2.21 0.00 0.00 174.62 174.51 1wbi n LEU 46 N -0.46 3.90 -3.97 9.08 4.77 -1.26 -4.76 117.00 124.30 1wbi n LEU 46 Ca -0.02 1.19 -0.14 0.00 -0.03 0.00 0.00 56.01 57.01 1wbi n LEU 46 Cb 0.61 -1.53 -0.14 0.00 -2.33 0.00 0.00 43.42 40.04 1wbi n LEU 46 CO 0.25 -0.21 -0.39 -0.44 -1.33 0.00 0.00 177.39 175.26 1wbi s SER 47 N 0.01 0.56 0.43 -1.43 0.01 -0.83 -4.47 113.70 107.98 1wbi s SER 47 Ca 0.59 -0.20 -0.22 0.00 1.31 0.00 0.00 55.95 57.44 1wbi s SER 47 Cb -0.55 -0.03 -0.10 0.00 0.21 0.00 0.00 66.02 65.55 1wbi s SER 47 CO 0.57 -0.02 0.99 -2.16 0.41 0.00 0.00 173.24 173.04 1wbi s PRO 48 N -0.48 4.11 0.17 12.44 0.04 -1.25 0.00 135.00 150.04 1wbi s PRO 48 Ca -0.02 1.27 0.07 0.00 0.04 0.00 0.00 61.00 62.36 1wbi s PRO 48 Cb -0.04 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 1wbi s PRO 48 CO -0.00 -0.15 -0.15 -0.48 0.04 0.00 0.00 177.00 176.27 1wbi s LEU 49 N -3.11 2.49 -0.14 -3.56 0.05 -0.38 -2.13 118.68 111.91 1wbi s LEU 49 Ca 0.62 -0.94 -0.09 0.00 0.05 0.00 0.00 54.13 53.78 1wbi s LEU 49 Cb -0.14 -0.64 0.05 0.00 -2.05 0.00 0.00 46.19 43.41 1wbi s LEU 49 CO 0.18 -0.15 0.35 -0.22 -0.55 0.00 0.00 176.35 175.95 1wbi s LEU 50 N -2.96 0.23 0.00 1.48 2.96 -0.62 -1.94 118.68 117.82 1wbi s LEU 50 Ca 0.17 0.74 -0.05 0.00 -0.22 0.00 0.00 54.13 54.77 1wbi s LEU 50 Cb -0.02 1.13 0.02 0.00 0.50 0.00 0.00 46.19 47.82 1wbi s LEU 50 CO 0.05 -0.17 0.31 0.61 -1.32 0.00 0.00 176.35 175.83 1wbi n GLY 51 N 3.96 1.73 2.94 7.98 0.00 -0.37 -1.11 105.19 120.31 1wbi n GLY 51 Ca -0.22 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.63 -0.01 0.28 -0.61 1.01 -0.57 -1.18 121.20 117.48 1wbi s ILE 52 Ca 0.07 0.05 0.12 0.00 0.00 0.00 0.00 60.65 60.88 1wbi s ILE 52 Cb -0.02 -0.14 -0.05 0.00 0.01 0.00 0.00 42.46 42.26 1wbi s ILE 52 CO 0.05 0.02 -0.18 0.00 0.00 0.00 0.00 174.94 174.84 1wbi s GLN 53 N 0.30 1.75 0.27 2.79 -2.07 0.14 -1.57 119.66 121.28 1wbi s GLN 53 Ca -0.02 -1.73 -0.29 0.00 -1.82 0.00 0.00 55.36 51.50 1wbi s GLN 53 Cb -0.03 -1.81 -0.09 0.00 -1.09 0.00 0.00 33.01 29.98 1wbi s GLN 53 CO -0.01 0.33 1.01 -1.01 -1.32 0.00 0.00 175.29 174.29 1wbi s HIS 54 N -2.49 3.76 -0.15 9.60 3.76 -0.80 -4.35 115.29 124.63 1wbi s HIS 54 Ca 0.30 1.81 0.18 0.00 -0.15 0.00 0.00 55.06 57.20 1wbi s HIS 54 Cb -0.05 -3.10 -0.25 0.00 1.11 0.00 0.00 32.58 30.29 1wbi s HIS 54 CO 0.16 -0.02 0.29 1.63 -0.85 0.00 0.00 174.74 175.94 1wbi n LYS 55 N 1.21 0.67 -0.10 1.40 4.76 -1.26 -4.64 118.16 120.20 1wbi n LYS 55 Ca -0.01 0.02 -0.14 0.00 -2.87 0.00 0.00 58.31 55.31 1wbi n LYS 55 Cb 0.46 -1.58 -0.14 0.00 -1.84 0.00 0.00 35.03 31.93 1wbi n LYS 55 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1wbi n ARG 56 N -2.72 0.67 -1.65 1.97 1.74 -1.26 -4.99 116.66 110.42 1wbi n ARG 56 Ca -0.24 0.11 -0.41 0.00 -0.77 0.00 0.00 57.85 56.53 1wbi n ARG 56 Cb 1.02 -1.55 0.01 0.00 -1.02 0.00 0.00 32.46 30.92 1wbi n ARG 56 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wbi n ALA 57 N -2.99 0.70 0.13 7.54 0.00 -1.26 -4.89 120.51 119.74 1wbi n ALA 57 Ca -0.38 0.26 0.02 0.00 0.00 0.00 0.00 53.44 53.35 1wbi n ALA 57 Cb 1.07 -2.17 0.39 0.00 0.00 0.00 0.00 19.45 18.74 1wbi n ALA 57 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1wbi h SER 58 N 1.84 0.20 -2.46 0.00 4.64 -1.96 -3.32 113.55 112.48 1wbi h SER 58 Ca -0.46 -0.04 -0.59 0.00 -0.47 0.00 0.00 61.79 60.23 1wbi h SER 58 Cb 1.32 -0.05 -0.40 0.00 -0.31 0.00 0.00 62.40 62.95 1wbi h SER 58 CO 0.59 0.37 -0.82 0.00 -0.87 0.00 0.00 176.83 176.10 1wbi n GLN 59 N -4.26 1.17 -2.55 4.77 6.02 -1.26 -4.76 117.38 116.51 1wbi n GLN 59 Ca -0.01 -3.82 -0.34 0.00 -0.01 0.00 0.00 57.00 52.82 1wbi n GLN 59 Cb 0.28 -1.85 -0.04 0.00 1.02 0.00 0.00 30.24 29.65 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 -1.08 3.83 0.58 -1.09 0.04 -1.21 -4.58 135.00 131.49 1wbi s PRO 60 Ca 0.32 1.31 -0.06 0.00 0.04 0.00 0.00 61.00 62.61 1wbi s PRO 60 Cb 0.06 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1wbi s PRO 60 CO -0.14 -0.40 0.90 0.95 0.04 0.00 0.00 177.00 178.36 1wbi s THR 61 N -2.05 3.85 0.15 1.26 -4.23 -1.26 -1.08 115.64 112.28 1wbi s THR 61 Ca 0.66 0.09 -0.24 0.00 -1.18 0.00 0.00 61.69 61.02 1wbi s THR 61 Cb -0.15 -3.52 0.06 0.00 1.34 0.00 0.00 72.50 70.23 1wbi s THR 61 CO 0.20 -0.55 0.77 0.72 -0.54 0.00 0.00 174.62 175.22 1wbi s PHE 62 N -2.98 -0.32 0.14 3.99 -0.12 -0.43 -1.90 117.98 116.35 1wbi s PHE 62 Ca 0.53 0.04 -0.08 0.00 -0.05 0.00 0.00 56.93 57.38 1wbi s PHE 62 Cb -0.11 0.61 -0.01 0.00 -0.63 0.00 0.00 43.02 42.88 1wbi s PHE 62 CO 0.46 -0.88 0.23 0.20 -0.05 0.00 0.00 175.22 175.18 1wbi s GLY 63 N -2.78 0.45 0.09 1.99 0.00 -0.61 -1.49 107.32 104.97 1wbi s GLY 63 Ca 0.07 -0.90 -0.22 0.00 0.00 0.00 0.00 44.72 43.67 1wbi s GLY 63 CO -0.04 -0.90 0.54 -0.11 0.00 0.00 0.00 173.10 172.60 1wbi s PHE 64 N -3.95 -0.45 -0.07 1.90 -0.12 -0.10 -1.51 117.98 113.67 1wbi s PHE 64 Ca 0.15 0.40 0.02 0.00 -0.05 0.00 0.00 56.93 57.45 1wbi s PHE 64 Cb 0.04 0.40 -0.02 0.00 -0.63 0.00 0.00 43.02 42.81 1wbi s PHE 64 CO -0.03 -0.71 -0.12 0.99 -0.05 0.00 0.00 175.22 175.30 1wbi s THR 65 N -2.94 3.19 -0.19 -4.49 2.01 -0.26 -1.04 115.64 111.91 1wbi s THR 65 Ca -0.03 -0.66 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 1wbi s THR 65 Cb -0.00 -2.28 -0.00 0.00 0.01 0.00 0.00 72.50 70.22 1wbi s THR 65 CO -0.06 0.57 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.66 1wbi s VAL 66 N -0.47 2.98 -0.53 3.82 1.01 0.45 -1.60 120.40 126.07 1wbi s VAL 66 Ca 0.06 -0.64 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 1wbi s VAL 66 Cb -0.12 -2.32 0.06 0.00 0.00 0.00 0.00 36.38 34.00 1wbi s VAL 66 CO 0.02 0.47 0.70 -2.28 0.00 0.00 0.00 175.10 174.01 1wbi s HIS 67 N 1.24 2.99 0.06 5.22 5.65 -0.90 -1.83 115.29 127.71 1wbi s HIS 67 Ca 0.03 -0.52 -0.31 0.00 0.25 0.00 0.00 55.06 54.51 1wbi s HIS 67 Cb -0.14 -3.71 -0.07 0.00 -1.18 0.00 0.00 32.58 27.48 1wbi s HIS 67 CO -0.04 -1.14 1.38 -1.58 -0.65 0.00 0.00 174.74 172.71 1wbi s TRP 68 N 2.89 3.07 -1.82 3.88 0.52 -1.19 -3.85 118.94 122.45 1wbi s TRP 68 Ca 0.17 0.91 0.29 0.00 0.02 0.00 0.00 56.10 57.50 1wbi s TRP 68 Cb -0.19 -3.65 1.36 0.00 -1.15 0.00 0.00 33.47 29.84 1wbi s TRP 68 CO 0.12 -2.33 1.93 0.09 0.02 0.00 0.00 176.95 176.78 1wbi n ASN 69 N 4.62 0.49 0.00 2.95 4.13 -1.26 -3.88 115.26 122.31 1wbi n ASN 69 Ca 0.12 -0.76 0.00 0.00 1.68 0.00 0.00 54.58 55.62 1wbi n ASN 69 Cb 0.43 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.61 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 -0.83 0.00 -4.02 3.10 1.16 -1.26 -5.04 117.46 110.56 1wbi n PHE 70 Ca 0.17 -0.21 -0.13 0.00 -1.87 0.00 0.00 57.45 55.41 1wbi n PHE 70 Cb 0.25 -0.02 -0.03 0.00 -1.61 0.00 0.00 39.48 38.07 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 -0.42 0.57 0.00 5.98 1.04 -1.25 -4.98 113.70 114.64 1wbi s SER 71 Ca 0.00 -1.33 0.18 0.00 0.48 0.00 0.00 55.95 55.29 1wbi s SER 71 Cb 0.00 0.68 0.67 0.00 0.10 0.00 0.00 66.02 67.47 1wbi s SER 71 CO 0.00 -1.34 1.49 -0.62 0.98 0.00 0.00 173.24 173.75 1wbi n GLU 72 N -0.52 1.68 -1.73 4.02 -0.58 -1.26 -4.71 120.64 117.55 1wbi n GLU 72 Ca -0.01 -1.04 -0.31 0.00 -0.42 0.00 0.00 57.16 55.38 1wbi n GLU 72 Cb 0.61 -1.36 0.03 0.00 -0.57 0.00 0.00 31.44 30.16 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 -1.44 5.80 -0.00 1.62 0.01 -1.26 -4.42 113.70 114.00 1wbi s SER 73 Ca 0.30 1.51 0.02 0.00 1.31 0.00 0.00 55.95 59.08 1wbi s SER 73 Cb 0.16 -2.47 -0.00 0.00 0.21 0.00 0.00 66.02 63.92 1wbi s SER 73 CO 0.23 -1.16 -0.06 -0.89 0.41 0.00 0.00 173.24 171.78 1wbi s THR 74 N -3.12 0.44 0.13 1.44 2.01 -0.90 -3.14 115.64 112.50 1wbi s THR 74 Ca 0.57 -0.24 0.10 0.00 0.31 0.00 0.00 61.69 62.43 1wbi s THR 74 Cb -0.12 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 1wbi s THR 74 CO 0.54 0.13 -0.21 -0.44 -0.69 0.00 0.00 174.62 173.95 1wbi s SER 75 N -0.12 3.67 0.03 3.53 0.01 -0.76 -0.55 113.70 119.51 1wbi s SER 75 Ca 0.02 -0.65 0.06 0.00 1.31 0.00 0.00 55.95 56.69 1wbi s SER 75 Cb -0.02 -0.42 -0.02 0.00 0.21 0.00 0.00 66.02 65.77 1wbi s SER 75 CO -0.00 0.17 -0.16 0.68 0.41 0.00 0.00 173.24 174.34 1wbi s VAL 76 N -1.17 1.28 -0.01 3.43 -7.23 0.19 -0.41 120.40 116.48 1wbi s VAL 76 Ca 0.17 -1.01 0.06 0.00 -1.81 0.00 0.00 61.98 59.39 1wbi s VAL 76 Cb -0.10 -1.13 -0.02 0.00 0.56 0.00 0.00 36.38 35.69 1wbi s VAL 76 CO 0.09 0.10 -0.21 -0.36 -0.31 0.00 0.00 175.10 174.41 1wbi s PHE 77 N -0.77 1.86 0.01 2.82 0.08 -0.20 -1.13 117.98 120.64 1wbi s PHE 77 Ca 0.04 -0.35 -0.00 0.00 0.12 0.00 0.00 56.93 56.73 1wbi s PHE 77 Cb -0.08 -1.19 -0.01 0.00 -0.57 0.00 0.00 43.02 41.17 1wbi s PHE 77 CO 0.01 -0.03 -0.01 0.54 -0.10 0.00 0.00 175.22 175.63 1wbi s VAL 78 N -0.50 0.06 0.00 -0.44 0.11 -0.16 -0.92 120.40 118.56 1wbi s VAL 78 Ca 0.08 -0.52 -0.04 0.00 -2.93 0.00 0.00 61.98 58.57 1wbi s VAL 78 Cb -0.08 -0.16 0.01 0.00 -1.53 0.00 0.00 36.38 34.62 1wbi s VAL 78 CO -0.01 -0.29 0.17 0.61 -3.33 0.00 0.00 175.10 172.25 1wbi n GLY 79 N 2.22 0.75 3.08 6.54 0.00 -0.56 -1.09 105.19 116.14 1wbi n GLY 79 Ca -0.19 -0.89 -0.21 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.00 1.02 -0.23 1.61 0.74 -0.69 -1.32 119.66 118.80 1wbi s GLN 80 Ca 0.04 -0.44 -0.14 0.00 0.05 0.00 0.00 55.36 54.87 1wbi s GLN 80 Cb -0.00 -0.98 -0.04 0.00 1.10 0.00 0.00 33.01 33.09 1wbi s GLN 80 CO 0.00 0.26 0.30 0.00 -0.55 0.00 0.00 175.29 175.31 1wbi s PHE 82 N 1.34 2.82 -0.16 0.00 0.08 -0.30 -3.36 117.98 118.40 1wbi s PHE 82 Ca 0.14 -0.11 -0.01 0.00 0.12 0.00 0.00 56.93 57.08 1wbi s PHE 82 Cb -0.14 -1.50 0.04 0.00 -0.57 0.00 0.00 43.02 40.84 1wbi s PHE 82 CO 0.07 0.41 -0.05 0.08 -0.10 0.00 0.00 175.22 175.63 1wbi s VAL 83 N -1.16 1.06 0.96 -0.44 1.01 -1.26 -1.55 120.40 119.02 1wbi s VAL 83 Ca 0.21 -0.55 -0.16 0.00 0.00 0.00 0.00 61.98 61.48 1wbi s VAL 83 Cb -0.11 -1.22 0.19 0.00 0.00 0.00 0.00 36.38 35.25 1wbi s VAL 83 CO 0.12 0.16 1.31 1.51 0.00 0.00 0.00 175.10 178.20 1wbi s ASP 84 N 1.66 3.15 0.59 3.32 1.47 -0.43 -4.91 116.67 121.52 1wbi s ASP 84 Ca 0.01 0.31 0.35 0.00 1.18 0.00 0.00 52.55 54.41 1wbi s ASP 84 Cb -0.15 -0.39 1.84 0.00 -0.34 0.00 0.00 42.92 43.88 1wbi s ASP 84 CO -0.08 -2.72 2.19 0.08 0.68 0.00 0.00 175.17 175.32 1wbi h ARG 85 N -1.63 0.00 -0.01 2.11 0.11 -2.01 -1.29 114.38 111.66 1wbi h ARG 85 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 1wbi h ARG 85 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 1wbi h ARG 85 CO 0.40 0.04 -0.15 0.43 0.10 0.00 0.00 179.97 180.79 1wbi n SER 86 N -3.34 0.90 0.00 0.08 7.64 -1.26 -4.93 113.62 112.71 1wbi n SER 86 Ca -0.02 -0.92 0.00 0.00 1.01 0.00 0.00 58.87 58.94 1wbi n SER 86 Cb 0.17 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 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 1.27 0.76 3.70 0.23 0.00 -0.49 -5.05 105.19 105.62 1wbi n GLY 87 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.65 4.45 -0.08 1.61 2.20 -1.26 -4.76 119.74 121.25 1wbi s LYS 88 Ca 0.00 1.58 -0.11 0.00 -0.36 0.00 0.00 55.97 57.07 1wbi s LYS 88 Cb 0.00 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 1wbi s LYS 88 CO 0.00 -0.25 0.27 -1.21 -0.36 0.00 0.00 175.35 173.80 1wbi s GLU 89 N 1.50 3.79 -0.03 4.03 2.02 -1.26 -1.32 118.70 127.44 1wbi s GLU 89 Ca 0.54 0.12 0.02 0.00 0.02 0.00 0.00 54.97 55.67 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 0.25 0.64 -0.06 0.54 0.02 0.00 0.00 175.26 176.65 1wbi s VAL 90 N -0.75 0.56 -0.30 2.63 0.11 -0.60 -4.38 120.40 117.68 1wbi s VAL 90 Ca 0.19 -0.20 -0.15 0.00 -2.93 0.00 0.00 61.98 58.89 1wbi s VAL 90 Cb -0.14 -0.54 -0.03 0.00 -1.53 0.00 0.00 36.38 34.14 1wbi s VAL 90 CO 0.08 0.20 0.37 -0.76 -3.33 0.00 0.00 175.10 171.66 1wbi s LEU 91 N 0.52 4.19 -0.37 2.54 1.43 -0.04 -1.15 118.68 125.80 1wbi s LEU 91 Ca -0.07 0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 52.96 1wbi s LEU 91 Cb -0.11 -2.39 -0.00 0.00 0.03 0.00 0.00 46.19 43.72 1wbi s LEU 91 CO 0.00 -0.25 0.34 -0.54 0.23 0.00 0.00 176.35 176.13 1wbi s LYS 92 N 2.06 3.36 0.14 1.70 -0.14 -0.46 -0.76 119.74 125.64 1wbi s LYS 92 Ca 0.14 -0.63 0.06 0.00 -1.36 0.00 0.00 55.97 54.18 1wbi s LYS 92 Cb -0.16 -3.87 -0.04 0.00 -1.68 0.00 0.00 37.83 32.08 1wbi s LYS 92 CO 0.11 -0.61 -0.14 0.95 -0.76 0.00 0.00 175.35 174.90 1wbi s THR 93 N 1.92 1.41 0.12 2.17 -4.23 -0.36 -1.70 115.64 114.97 1wbi s THR 93 Ca 0.09 -1.82 0.08 0.00 -1.18 0.00 0.00 61.69 58.86 1wbi s THR 93 Cb -0.17 -1.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 1wbi s THR 93 CO 0.12 -0.46 -0.20 -0.54 -0.54 0.00 0.00 174.62 173.00 1wbi s LYS 94 N -2.89 1.14 0.08 3.99 1.02 -0.25 -1.49 119.74 121.35 1wbi s LYS 94 Ca 0.12 -1.21 0.02 0.00 0.02 0.00 0.00 55.97 54.91 1wbi s LYS 94 Cb -0.04 -1.35 -0.04 0.00 -0.52 0.00 0.00 37.83 35.89 1wbi s LYS 94 CO 0.03 0.30 -0.07 1.67 -0.92 0.00 0.00 175.35 176.37 1wbi s TRP 95 N -1.39 0.82 -0.05 3.18 1.48 -0.13 -0.99 118.94 121.87 1wbi s TRP 95 Ca 0.08 -0.84 0.05 0.00 -1.06 0.00 0.00 56.10 54.33 1wbi s TRP 95 Cb -0.09 -0.48 -0.00 0.00 -1.16 0.00 0.00 33.47 31.73 1wbi s TRP 95 CO 0.05 -0.15 -0.20 -0.51 -4.06 0.00 0.00 176.95 172.08 1wbi s LEU 96 N -2.74 1.97 -0.18 -4.66 1.43 -0.29 -1.64 118.68 112.57 1wbi s LEU 96 Ca 0.07 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1wbi s LEU 96 Cb 0.02 -1.14 -0.00 0.00 0.03 0.00 0.00 46.19 45.10 1wbi s LEU 96 CO -0.04 0.18 -0.11 -1.58 0.23 0.00 0.00 176.35 175.03 1wbi s GLN 97 N 0.02 3.26 -0.24 1.70 0.74 -0.18 -0.64 119.66 124.33 1wbi s GLN 97 Ca -0.06 -0.70 -0.12 0.00 0.05 0.00 0.00 55.36 54.53 1wbi s GLN 97 Cb -0.13 -2.77 -0.05 0.00 1.10 0.00 0.00 33.01 31.16 1wbi s GLN 97 CO 0.03 -0.08 0.24 0.50 -0.55 0.00 0.00 175.29 175.43 1wbi s ARG 98 N 1.10 4.07 0.22 1.67 6.06 0.28 -0.87 118.95 131.48 1wbi s ARG 98 Ca 0.00 -0.15 -0.08 0.00 -2.50 0.00 0.00 55.73 53.01 1wbi s ARG 98 Cb -0.14 -3.57 -0.07 0.00 0.06 0.00 0.00 34.95 31.23 1wbi s ARG 98 CO -0.03 -0.04 0.51 -0.51 -2.50 0.00 0.00 175.30 172.74 1wbi s LEU 99 N 1.34 4.17 -0.09 -0.88 1.43 0.51 -2.11 118.68 123.05 1wbi s LEU 99 Ca 0.11 0.83 -0.29 0.00 -1.03 0.00 0.00 54.13 53.75 1wbi s LEU 99 Cb -0.14 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 1wbi s LEU 99 CO 0.07 -0.06 0.97 0.00 0.23 0.00 0.00 176.35 177.55 1wbi s ALA 100 N -1.82 3.37 0.31 4.21 0.00 -1.26 -4.84 121.76 121.72 1wbi s ALA 100 Ca 0.46 0.36 0.10 0.00 0.00 0.00 0.00 51.96 52.88 1wbi s ALA 100 Cb -0.11 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1wbi s ALA 100 CO 0.23 -0.51 -0.07 0.14 0.00 0.00 0.00 175.76 175.55 1wbi s VAL 101 N 1.78 2.70 0.14 0.00 -7.23 -1.26 -5.07 120.40 111.46 1wbi s VAL 101 Ca 0.47 -2.12 0.07 0.00 -1.81 0.00 0.00 61.98 58.60 1wbi s VAL 101 Cb -0.19 -2.65 -0.18 0.00 0.56 0.00 0.00 36.38 33.93 1wbi s VAL 101 CO 0.19 -0.29 1.33 0.44 -0.31 0.00 0.00 175.10 176.46 1wbi h ASP 102 N 1.98 0.03 -5.07 4.85 3.32 -1.97 -3.46 116.42 116.10 1wbi h ASP 102 Ca -0.42 -0.03 -0.15 0.00 0.02 0.00 0.00 57.03 56.45 1wbi h ASP 102 Cb 1.25 -0.01 -0.19 0.00 0.22 0.00 0.00 39.33 40.61 1wbi h ASP 102 CO 0.64 0.95 -0.68 -0.62 -1.72 0.00 0.00 179.24 177.82 1wbi s ASP 103 N -6.76 0.31 0.55 6.45 2.15 -1.26 -5.03 116.67 113.08 1wbi s ASP 103 Ca 0.00 -0.66 0.22 0.00 0.43 0.00 0.00 52.55 52.55 1wbi s ASP 103 Cb 0.10 0.14 1.46 0.00 -0.30 0.00 0.00 42.92 44.32 1wbi s ASP 103 CO 0.81 -0.41 2.13 -0.29 -0.17 0.00 0.00 175.17 177.24 1wbi h ILE 104 N 4.09 0.77 0.00 4.11 2.10 -2.02 -0.73 117.51 125.83 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 1.19 0.92 0.00 0.00 -1.09 0.00 0.00 36.82 37.83 1wbi h ILE 104 CO 0.50 0.00 0.00 -1.54 -1.08 0.00 0.00 178.15 176.03 1wbi n SER 105 N -4.26 0.57 -0.86 2.19 3.41 -1.26 -1.67 113.62 111.73 1wbi n SER 105 Ca 0.00 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 1wbi n SER 105 Cb 0.23 -0.77 0.28 0.00 -0.26 0.00 0.00 64.21 63.69 1wbi n SER 105 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1wbi n ASP 106 N -2.14 2.62 -0.27 4.04 8.00 -0.28 -4.61 116.55 123.91 1wbi n ASP 106 Ca 0.02 -1.86 0.12 0.00 0.71 0.00 0.00 54.79 53.78 1wbi n ASP 106 Cb 0.20 -0.13 0.38 0.00 -0.02 0.00 0.00 41.12 41.54 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 3.59 0.65 -0.83 -2.24 3.58 -1.41 -2.13 116.42 117.64 1wbi h ASP 107 Ca 0.00 0.04 0.24 0.00 0.42 0.00 0.00 57.03 57.73 1wbi h ASP 107 Cb 0.78 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.71 1wbi h ASP 107 CO 0.00 0.32 0.60 4.11 -2.88 0.00 0.00 179.24 181.39 1wbi h TRP 108 N 0.68 0.02 -0.00 0.28 5.08 -1.83 -2.21 115.95 117.96 1wbi h TRP 108 Ca 0.46 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.43 1wbi h TRP 108 Cb 0.75 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 26.91 1wbi h TRP 108 CO -0.00 0.00 -0.28 1.51 -1.28 0.00 0.00 178.44 178.39 1wbi n ILE 109 N -4.29 0.00 1.21 0.12 3.06 -0.80 -4.56 119.36 114.10 1wbi n ILE 109 Ca 0.17 -0.05 0.13 0.00 -2.50 0.00 0.00 62.75 60.50 1wbi n ILE 109 Cb 0.89 0.10 0.27 0.00 0.54 0.00 0.00 39.64 41.45 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 -1.17 2.61 -4.01 1.51 0.00 -0.83 -4.82 120.51 113.80 1wbi n ALA 110 Ca 0.09 -0.58 -0.31 0.00 0.00 0.00 0.00 53.44 52.65 1wbi n ALA 110 Cb 0.33 -0.97 -0.16 0.00 0.00 0.00 0.00 19.45 18.65 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 -2.06 1.68 0.26 0.00 2.01 -1.26 -0.36 115.64 115.91 1wbi s THR 111 Ca 0.31 -0.96 -0.06 0.00 0.31 0.00 0.00 61.69 61.29 1wbi s THR 111 Cb 0.20 -1.71 -0.06 0.00 0.01 0.00 0.00 72.50 70.95 1wbi s THR 111 CO 0.34 0.24 0.53 -0.13 -0.69 0.00 0.00 174.62 174.91 1wbi s ARG 112 N 1.39 3.66 0.05 4.92 0.52 -0.05 -4.94 118.95 124.51 1wbi s ARG 112 Ca 0.00 0.05 0.05 0.00 -0.52 0.00 0.00 55.73 55.31 1wbi s ARG 112 Cb -0.15 -2.67 -0.02 0.00 0.52 0.00 0.00 34.95 32.62 1wbi s ARG 112 CO -0.09 0.27 -0.15 0.54 0.02 0.00 0.00 175.30 175.88 1wbi s VAL 113 N -1.98 1.23 0.00 3.52 0.11 -1.26 -1.01 120.40 121.01 1wbi s VAL 113 Ca 0.44 -1.09 0.00 0.00 -2.93 0.00 0.00 61.98 58.40 1wbi s VAL 113 Cb -0.11 -1.11 0.00 0.00 -1.53 0.00 0.00 36.38 33.63 1wbi s VAL 113 CO 0.27 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.66 1wbi n GLY 114 N 1.79 2.02 3.07 6.54 0.00 -0.65 -5.00 105.19 112.95 1wbi n GLY 114 Ca -0.18 -0.74 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 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 1.45 0.32 -0.15 1.61 4.22 -1.26 -0.96 114.94 120.17 1wbi s ASN 115 Ca 0.00 -0.71 -0.19 0.00 -2.14 0.00 0.00 52.86 49.82 1wbi s ASN 115 Cb 0.00 0.18 0.05 0.00 1.28 0.00 0.00 41.25 42.76 1wbi s ASN 115 CO 0.00 -0.49 0.50 0.20 -2.04 0.00 0.00 177.10 175.27 1wbi s ASN 116 N -2.26 -0.50 -0.12 3.54 0.02 -0.55 -4.93 114.94 110.14 1wbi s ASN 116 Ca -0.03 0.85 -0.02 0.00 -1.02 0.00 0.00 52.86 52.64 1wbi s ASN 116 Cb -0.00 0.88 -0.03 0.00 0.02 0.00 0.00 41.25 42.12 1wbi s ASN 116 CO -0.06 -0.27 -0.05 -1.81 0.02 0.00 0.00 177.10 174.93 1wbi s ASP 117 N -0.13 4.72 0.04 -1.22 1.01 -1.26 -1.22 116.67 118.60 1wbi s ASP 117 Ca -0.03 -0.10 0.06 0.00 0.71 0.00 0.00 52.55 53.19 1wbi s ASP 117 Cb -0.03 -1.58 -0.03 0.00 1.01 0.00 0.00 42.92 42.28 1wbi s ASP 117 CO 0.02 0.24 -0.14 -0.36 0.21 0.00 0.00 175.17 175.14 1wbi s PHE 118 N -0.04 2.67 0.14 4.23 0.08 0.06 -2.61 117.98 122.51 1wbi s PHE 118 Ca 0.01 -0.18 0.06 0.00 0.12 0.00 0.00 56.93 56.94 1wbi s PHE 118 Cb -0.13 -1.50 -0.04 0.00 -0.57 0.00 0.00 43.02 40.78 1wbi s PHE 118 CO 0.03 0.31 -0.14 0.95 -0.10 0.00 0.00 175.22 176.26 1wbi s THR 119 N -0.98 1.42 0.25 0.64 -4.23 -0.35 -0.86 115.64 111.53 1wbi s THR 119 Ca 0.16 -1.82 -0.30 0.00 -1.18 0.00 0.00 61.69 58.55 1wbi s THR 119 Cb -0.11 -1.65 -0.09 0.00 1.34 0.00 0.00 72.50 71.99 1wbi s THR 119 CO 0.07 -0.45 1.12 -0.60 -0.54 0.00 0.00 174.62 174.22 1wbi s ARG 120 N -2.88 4.60 0.47 3.99 3.52 -1.26 -0.97 118.95 126.42 1wbi s ARG 120 Ca 0.12 1.81 -0.24 0.00 -0.13 0.00 0.00 55.73 57.30 1wbi s ARG 120 Cb -0.04 -3.21 -0.07 0.00 -1.56 0.00 0.00 34.95 30.07 1wbi s ARG 120 CO 0.04 0.14 1.28 -0.65 -0.81 0.00 0.00 175.30 175.29 1wbi s GLN 121 N -1.12 3.63 0.15 5.12 -0.21 0.01 -4.85 119.66 122.40 1wbi s GLN 121 Ca 0.47 2.06 -0.31 0.00 0.02 0.00 0.00 55.36 57.60 1wbi s GLN 121 Cb -0.32 -2.48 -0.09 0.00 1.00 0.00 0.00 33.01 31.12 1wbi s GLN 121 CO 0.40 -0.74 1.43 -1.58 -2.12 0.00 0.00 175.29 172.68 1wbi s HIS 122 N -1.37 3.18 0.00 0.91 5.65 -1.26 -4.96 115.29 117.45 1wbi s HIS 122 Ca 0.64 0.92 0.00 0.00 0.25 0.00 0.00 55.06 56.87 1wbi s HIS 122 Cb -0.36 -3.74 0.00 0.00 -1.18 0.00 0.00 32.58 27.30 1wbi s HIS 122 CO 0.44 -2.59 0.00 2.41 -0.65 0.00 0.00 174.74 174.35