#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 4.25 0.43 0.00 0.52 -1.26 -5.03 118.95 117.85 1wbi s ARG 2 Ca 0.00 1.25 -0.26 0.00 -0.52 0.00 0.00 55.73 56.20 1wbi s ARG 2 Cb 0.00 -2.35 -0.09 0.00 0.52 0.00 0.00 34.95 33.02 1wbi s ARG 2 CO 0.00 -0.03 1.35 1.63 0.02 0.00 0.00 175.30 178.27 1wbi n LYS 3 N -0.34 2.11 -1.42 3.54 4.76 -1.26 -2.39 118.16 123.16 1wbi n LYS 3 Ca 0.06 0.75 -0.15 0.00 -2.87 0.00 0.00 58.31 56.10 1wbi n LYS 3 Cb 0.52 -2.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.16 1wbi n LYS 3 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wbi s SER 5 N -2.71 7.07 0.38 0.00 0.15 -1.00 -4.87 113.70 112.72 1wbi s SER 5 Ca 0.00 1.89 0.27 0.00 0.70 0.00 0.00 55.95 58.81 1wbi s SER 5 Cb 0.00 -2.57 0.96 0.00 -1.71 0.00 0.00 66.02 62.71 1wbi s SER 5 CO 0.00 -0.53 1.79 -0.07 1.20 0.00 0.00 173.24 175.64 1wbi h LEU 6 N 7.63 0.00 -9.11 3.45 4.07 -1.92 -3.44 115.31 115.99 1wbi h LEU 6 Ca -0.37 0.00 -0.75 0.00 0.08 0.00 0.00 57.88 56.83 1wbi h LEU 6 Cb 1.18 0.00 0.04 0.00 1.08 0.00 0.00 40.66 42.97 1wbi h LEU 6 CO 0.85 0.00 0.33 0.41 -1.08 0.00 0.00 178.44 178.95 1wbi n THR 7 N -2.67 0.02 0.00 0.22 -1.04 -1.26 -4.57 114.28 104.99 1wbi n THR 7 Ca 0.03 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1wbi n THR 7 Cb 0.35 -0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.42 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 2.31 0.57 3.33 3.41 0.00 -0.18 -4.94 105.19 109.70 1wbi n GLY 8 Ca 0.21 -2.19 -0.32 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.53 2.78 -0.01 1.61 8.01 -1.26 -0.59 118.70 128.73 1wbi s GLU 9 Ca 0.00 -0.81 0.01 0.00 0.01 0.00 0.00 54.97 54.19 1wbi s GLU 9 Cb 0.00 -2.33 -0.00 0.00 -4.31 0.00 0.00 34.13 27.49 1wbi s GLU 9 CO 0.00 0.37 -0.05 -1.58 0.01 0.00 0.00 175.26 174.02 1wbi s TRP 10 N -0.11 0.44 0.08 1.61 0.52 -0.28 -0.51 118.94 120.68 1wbi s TRP 10 Ca -0.04 -0.08 0.02 0.00 0.02 0.00 0.00 56.10 56.02 1wbi s TRP 10 Cb -0.14 -0.30 -0.04 0.00 -1.15 0.00 0.00 33.47 31.84 1wbi s TRP 10 CO 0.04 -0.02 0.14 -0.51 0.02 0.00 0.00 176.95 176.62 1wbi s ASP 11 N -0.03 5.88 0.47 2.95 1.01 0.03 -1.24 116.67 125.73 1wbi s ASP 11 Ca 0.01 0.10 0.03 0.00 0.71 0.00 0.00 52.55 53.39 1wbi s ASP 11 Cb -0.03 -1.68 -0.03 0.00 1.01 0.00 0.00 42.92 42.19 1wbi s ASP 11 CO -0.00 0.16 0.03 0.54 0.21 0.00 0.00 175.17 176.11 1wbi s ASN 12 N -2.48 3.81 0.00 0.27 2.20 -0.38 -1.42 114.94 116.94 1wbi s ASN 12 Ca 0.32 -1.61 0.21 0.00 -0.94 0.00 0.00 52.86 50.84 1wbi s ASN 12 Cb -0.12 0.36 1.13 0.00 -2.00 0.00 0.00 41.25 40.62 1wbi s ASN 12 CO 0.25 -0.80 1.67 -0.90 -2.94 0.00 0.00 177.10 174.38 1wbi n ASP 13 N -1.21 0.00 -1.18 3.54 5.75 -1.03 -1.36 116.55 121.06 1wbi n ASP 13 Ca -0.14 -0.21 0.12 0.00 -0.01 0.00 0.00 54.79 54.54 1wbi n ASP 13 Cb 0.67 -0.20 0.24 0.00 -1.03 0.00 0.00 41.12 40.79 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 -1.20 3.50 0.00 -2.12 4.77 -1.26 -4.96 117.00 115.73 1wbi n LEU 14 Ca 0.12 -1.54 0.00 0.00 -0.03 0.00 0.00 56.01 54.55 1wbi n LEU 14 Cb 0.14 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1wbi n LEU 14 CO 0.15 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 1wbi n GLY 15 N 1.53 0.79 3.82 -0.72 0.00 -0.47 -4.65 105.19 105.49 1wbi n GLY 15 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.75 5.23 0.02 1.61 0.01 -1.26 -4.47 113.70 112.09 1wbi s SER 16 Ca 0.00 1.52 0.03 0.00 1.31 0.00 0.00 55.95 58.81 1wbi s SER 16 Cb 0.00 -2.37 -0.02 0.00 0.21 0.00 0.00 66.02 63.84 1wbi s SER 16 CO 0.00 -1.53 -0.10 -0.63 0.41 0.00 0.00 173.24 171.39 1wbi s ILE 17 N -3.09 0.76 0.05 1.44 1.01 -0.52 -1.25 121.20 119.60 1wbi s ILE 17 Ca 0.58 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 60.52 1wbi s ILE 17 Cb -0.14 -0.70 -0.03 0.00 0.01 0.00 0.00 42.46 41.60 1wbi s ILE 17 CO 0.55 -0.03 -0.08 0.00 0.00 0.00 0.00 174.94 175.38 1wbi s MET 18 N -0.86 0.59 -0.09 2.79 0.23 -0.38 -0.09 119.30 121.51 1wbi s MET 18 Ca -0.01 -0.86 0.02 0.00 -1.03 0.00 0.00 55.69 53.82 1wbi s MET 18 Cb -0.06 -0.31 0.01 0.00 -1.53 0.00 0.00 34.83 32.94 1wbi s MET 18 CO 0.00 0.05 -0.14 -0.08 -2.03 0.00 0.00 175.02 172.82 1wbi s THR 19 N -1.71 1.36 -0.03 3.16 -1.32 -0.39 -1.13 115.64 115.59 1wbi s THR 19 Ca -0.06 -0.59 0.07 0.00 -1.21 0.00 0.00 61.69 59.90 1wbi s THR 19 Cb -0.08 -1.24 -0.02 0.00 -1.51 0.00 0.00 72.50 69.65 1wbi s THR 19 CO -0.00 0.41 -0.24 -0.63 -2.21 0.00 0.00 174.62 171.95 1wbi s ILE 20 N 0.77 2.20 0.00 5.08 1.01 0.25 -1.15 121.20 129.37 1wbi s ILE 20 Ca -0.12 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.48 1wbi s ILE 20 Cb -0.16 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.54 1wbi s ILE 20 CO 0.02 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.15 1wbi n GLY 21 N 2.45 0.67 3.77 6.18 0.00 -0.47 -1.01 105.19 116.78 1wbi n GLY 21 Ca -0.16 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.70 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 -3.26 3.25 -0.21 4.61 0.00 -1.26 -4.05 121.76 120.84 1wbi s ALA 22 Ca 0.00 1.20 -0.14 0.00 0.00 0.00 0.00 51.96 53.02 1wbi s ALA 22 Cb 0.00 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1wbi s ALA 22 CO 0.00 -0.79 0.31 0.08 0.00 0.00 0.00 175.76 175.36 1wbi s VAL 23 N -1.27 5.26 0.48 0.00 1.01 -1.26 -4.59 120.40 120.03 1wbi s VAL 23 Ca 0.57 0.52 -0.08 0.00 0.00 0.00 0.00 61.98 62.99 1wbi s VAL 23 Cb -0.37 -3.64 0.11 0.00 0.00 0.00 0.00 36.38 32.47 1wbi s VAL 23 CO 0.48 0.30 0.66 -0.46 0.00 0.00 0.00 175.10 176.08 1wbi n ASN 24 N 4.27 0.08 0.25 3.32 0.23 -0.06 -4.85 115.26 118.50 1wbi n ASN 24 Ca -0.11 -1.25 0.11 0.00 -0.53 0.00 0.00 54.58 52.80 1wbi n ASN 24 Cb 0.51 -0.50 0.64 0.00 -2.08 0.00 0.00 39.78 38.36 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 -0.85 0.00 -0.19 0.53 3.32 -1.98 -1.85 116.42 115.40 1wbi h ASP 25 Ca -0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1wbi h ASP 25 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1wbi h ASP 25 CO 0.15 0.16 0.00 0.59 -1.72 0.00 0.00 179.24 178.42 1wbi n ASN 26 N -3.67 1.78 0.00 6.45 5.03 -1.26 -4.92 115.26 118.67 1wbi n ASN 26 Ca -0.02 -1.75 0.00 0.00 0.87 0.00 0.00 54.58 53.69 1wbi n ASN 26 Cb 0.28 -0.12 0.00 0.00 -1.02 0.00 0.00 39.78 38.92 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 1.14 0.77 3.80 7.41 0.00 -0.69 -4.79 105.19 112.82 1wbi n GLY 27 Ca 0.16 0.00 -0.36 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 -0.42 4.44 0.10 1.61 2.02 -1.26 -0.64 118.70 124.56 1wbi s GLU 28 Ca 0.00 1.18 -0.13 0.00 0.02 0.00 0.00 54.97 56.04 1wbi s GLU 28 Cb 0.00 -2.70 0.02 0.00 0.10 0.00 0.00 34.13 31.55 1wbi s GLU 28 CO 0.00 0.25 0.32 -0.59 0.02 0.00 0.00 175.26 175.25 1wbi s PHE 29 N -1.70 -0.07 0.31 1.61 -0.12 -0.45 -0.88 117.98 116.68 1wbi s PHE 29 Ca 0.51 -0.27 0.04 0.00 -0.05 0.00 0.00 56.93 57.16 1wbi s PHE 29 Cb -0.16 0.13 -0.06 0.00 -0.63 0.00 0.00 43.02 42.29 1wbi s PHE 29 CO 0.21 -0.63 0.03 0.16 -0.05 0.00 0.00 175.22 174.95 1wbi s ASP 30 N -2.75 2.43 0.00 1.98 1.47 -1.26 -0.88 116.67 117.66 1wbi s ASP 30 Ca 0.03 -1.34 0.00 0.00 1.18 0.00 0.00 52.55 52.42 1wbi s ASP 30 Cb 0.03 -0.10 0.00 0.00 -0.34 0.00 0.00 42.92 42.51 1wbi s ASP 30 CO -0.11 -0.55 0.00 0.61 0.68 0.00 0.00 175.17 175.80 1wbi n GLY 31 N -0.66 0.49 3.03 2.12 0.00 -0.89 -1.36 105.19 107.93 1wbi n GLY 31 Ca -0.03 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.05 1.04 -0.15 2.61 2.01 -0.30 -1.28 115.64 117.53 1wbi s THR 32 Ca 0.00 -0.47 -0.03 0.00 0.31 0.00 0.00 61.69 61.51 1wbi s THR 32 Cb 0.00 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 1wbi s THR 32 CO 0.00 0.32 -0.06 -0.47 -0.69 0.00 0.00 174.62 173.72 1wbi s TYR 33 N 0.40 2.97 -0.45 4.92 5.04 0.11 -1.26 117.35 129.08 1wbi s TYR 33 Ca -0.09 -0.41 0.02 0.00 -2.44 0.00 0.00 57.07 54.16 1wbi s TYR 33 Cb -0.13 -1.94 0.12 0.00 0.35 0.00 0.00 41.96 40.37 1wbi s TYR 33 CO 0.02 -0.10 0.20 0.42 -1.34 0.00 0.00 175.55 174.75 1wbi s ILE 34 N 0.41 2.77 0.40 3.14 1.01 0.87 -1.52 121.20 128.29 1wbi s ILE 34 Ca -0.05 -2.71 -0.25 0.00 0.00 0.00 0.00 60.65 57.65 1wbi s ILE 34 Cb -0.15 -2.93 -0.09 0.00 0.01 0.00 0.00 42.46 39.30 1wbi s ILE 34 CO 0.03 -0.72 1.10 0.28 0.00 0.00 0.00 174.94 175.63 1wbi s THR 35 N 0.41 3.47 -0.74 2.92 -1.32 -1.26 -1.44 115.64 117.68 1wbi s THR 35 Ca 0.13 1.18 0.25 0.00 -1.21 0.00 0.00 61.69 62.04 1wbi s THR 35 Cb -0.22 -3.63 0.06 0.00 -1.51 0.00 0.00 72.50 67.20 1wbi s THR 35 CO -0.04 0.06 1.40 0.00 -2.21 0.00 0.00 174.62 173.83 1wbi n ALA 36 N 0.02 2.98 -2.45 11.08 0.00 -1.26 -4.92 120.51 125.96 1wbi n ALA 36 Ca 0.05 -0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.15 1wbi n ALA 36 Cb 0.48 -1.20 -0.10 0.00 0.00 0.00 0.00 19.45 18.63 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 -3.12 0.24 0.06 0.00 -7.23 -1.26 -5.00 120.40 104.09 1wbi s VAL 37 Ca 0.08 -1.47 -0.28 0.00 -1.81 0.00 0.00 61.98 58.50 1wbi s VAL 37 Cb 0.14 -1.05 0.09 0.00 0.56 0.00 0.00 36.38 36.12 1wbi s VAL 37 CO 0.70 -0.78 1.03 0.00 -0.31 0.00 0.00 175.10 175.74 1wbi s ALA 38 N -2.90 -1.84 0.30 1.32 0.00 -1.26 -4.98 121.76 112.39 1wbi s ALA 38 Ca -0.01 0.55 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 1wbi s ALA 38 Cb 0.01 0.47 0.46 0.00 0.00 0.00 0.00 23.12 24.06 1wbi s ALA 38 CO -0.06 -0.93 1.96 -0.44 0.00 0.00 0.00 175.76 176.29 1wbi h ASP 39 N 2.00 0.94 -2.95 0.00 3.32 -2.02 -3.33 116.42 114.37 1wbi h ASP 39 Ca -0.24 -0.02 -0.61 0.00 0.02 0.00 0.00 57.03 56.19 1wbi h ASP 39 Cb 1.22 -0.23 -0.40 0.00 0.22 0.00 0.00 39.33 40.15 1wbi h ASP 39 CO 0.27 0.66 -0.77 0.20 -1.72 0.00 0.00 179.24 177.88 1wbi s ASN 40 N -6.24 3.24 0.58 6.45 0.01 -1.26 -5.00 114.94 112.72 1wbi s ASN 40 Ca -0.11 -3.17 0.27 0.00 -0.71 0.00 0.00 52.86 49.13 1wbi s ASN 40 Cb 0.18 -1.01 1.72 0.00 0.41 0.00 0.00 41.25 42.55 1wbi s ASN 40 CO 0.79 -0.17 2.24 -0.65 -1.51 0.00 0.00 177.10 177.80 1wbi h PRO 41 N 5.92 0.00 0.00 -0.60 0.11 -1.94 -1.72 132.00 133.77 1wbi h PRO 41 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1wbi h PRO 41 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1wbi h PRO 41 CO 0.52 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.09 1wbi h GLY 42 N 0.01 0.00 -0.28 -0.55 0.00 -1.95 -2.85 103.07 97.44 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 0.00 0.00 -0.24 0.70 0.00 0.00 0.00 176.54 177.00 1wbi n ASN 43 N -2.50 1.45 -4.70 0.19 3.02 -0.64 -4.99 115.26 107.08 1wbi n ASN 43 Ca 0.01 -1.20 -0.44 0.00 -0.03 0.00 0.00 54.58 52.92 1wbi n ASN 43 Cb 0.22 0.17 -0.02 0.00 -0.61 0.00 0.00 39.78 39.54 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 -0.24 0.82 -4.05 2.41 5.41 -1.08 -4.77 119.36 117.86 1wbi n ILE 44 Ca 0.13 -0.21 -0.10 0.00 1.00 0.00 0.00 62.75 63.58 1wbi n ILE 44 Cb 0.39 -1.69 -0.08 0.00 -0.71 0.00 0.00 39.64 37.55 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 0.14 0.06 0.65 1.39 -1.32 -1.26 -5.10 115.64 110.20 1wbi s THR 45 Ca 0.68 -1.63 -0.18 0.00 -1.21 0.00 0.00 61.69 59.35 1wbi s THR 45 Cb -0.59 -2.01 -0.01 0.00 -1.51 0.00 0.00 72.50 68.38 1wbi s THR 45 CO 0.47 -0.29 1.24 0.00 -2.21 0.00 0.00 174.62 173.83 1wbi n LEU 46 N -0.19 5.66 -3.83 9.08 -0.00 -1.26 -4.77 117.00 121.69 1wbi n LEU 46 Ca -0.05 0.81 -0.12 0.00 -0.00 0.00 0.00 56.01 56.65 1wbi n LEU 46 Cb 0.63 -1.53 -0.11 0.00 -0.00 0.00 0.00 43.42 42.41 1wbi n LEU 46 CO 0.27 -1.15 -0.17 -0.44 -0.00 0.00 0.00 177.39 175.90 1wbi s SER 47 N -1.40 -0.12 0.37 1.45 0.01 -0.57 -4.55 113.70 108.88 1wbi s SER 47 Ca 0.82 0.17 -0.25 0.00 1.31 0.00 0.00 55.95 58.00 1wbi s SER 47 Cb -0.38 0.31 -0.09 0.00 0.21 0.00 0.00 66.02 66.07 1wbi s SER 47 CO 0.41 -0.17 1.03 -2.16 0.41 0.00 0.00 173.24 172.77 1wbi s PRO 48 N -0.40 4.32 0.22 12.44 0.04 -1.25 0.06 135.00 150.44 1wbi s PRO 48 Ca -0.05 1.52 0.08 0.00 0.04 0.00 0.00 61.00 62.59 1wbi s PRO 48 Cb -0.03 -2.69 -0.05 0.00 0.04 0.00 0.00 34.50 31.77 1wbi s PRO 48 CO 0.01 -0.00 -0.14 -0.48 0.04 0.00 0.00 177.00 176.43 1wbi s LEU 49 N -2.34 2.55 -0.16 -3.56 0.05 -0.40 -1.76 118.68 113.06 1wbi s LEU 49 Ca 0.54 -1.04 -0.10 0.00 0.05 0.00 0.00 54.13 53.58 1wbi s LEU 49 Cb -0.23 -0.71 0.05 0.00 -2.05 0.00 0.00 46.19 43.25 1wbi s LEU 49 CO 0.29 -0.17 0.39 -0.22 -0.55 0.00 0.00 176.35 176.08 1wbi s LEU 50 N -3.35 0.15 0.00 1.48 2.96 -0.65 -2.09 118.68 117.19 1wbi s LEU 50 Ca 0.24 0.82 -0.05 0.00 -0.22 0.00 0.00 54.13 54.92 1wbi s LEU 50 Cb -0.01 1.28 0.02 0.00 0.50 0.00 0.00 46.19 47.99 1wbi s LEU 50 CO 0.08 -0.17 0.29 0.61 -1.32 0.00 0.00 176.35 175.84 1wbi n GLY 51 N 3.81 1.76 2.86 7.98 0.00 -0.06 -1.14 105.19 120.41 1wbi n GLY 51 Ca -0.20 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.64 0.05 0.24 -0.61 1.01 -0.31 -1.34 121.20 117.60 1wbi s ILE 52 Ca 0.07 0.01 0.11 0.00 0.00 0.00 0.00 60.65 60.84 1wbi s ILE 52 Cb -0.02 -0.07 -0.05 0.00 0.01 0.00 0.00 42.46 42.33 1wbi s ILE 52 CO 0.05 0.03 -0.18 0.00 0.00 0.00 0.00 174.94 174.85 1wbi s GLN 53 N 0.21 1.74 0.36 2.79 -2.07 0.19 -1.47 119.66 121.41 1wbi s GLN 53 Ca -0.02 -1.60 -0.26 0.00 -1.82 0.00 0.00 55.36 51.66 1wbi s GLN 53 Cb -0.03 -1.88 -0.09 0.00 -1.09 0.00 0.00 33.01 29.92 1wbi s GLN 53 CO -0.01 0.37 1.16 -1.01 -1.32 0.00 0.00 175.29 174.48 1wbi s HIS 54 N -2.14 3.20 -0.21 9.60 3.76 -0.50 -4.35 115.29 124.64 1wbi s HIS 54 Ca 0.27 1.58 0.09 0.00 -0.15 0.00 0.00 55.06 56.85 1wbi s HIS 54 Cb -0.06 -3.37 -0.19 0.00 1.11 0.00 0.00 32.58 30.06 1wbi s HIS 54 CO 0.14 -1.13 -0.08 1.63 -0.85 0.00 0.00 174.74 174.45 1wbi n LYS 55 N 0.40 0.77 0.06 1.40 4.76 -1.26 -4.67 118.16 119.61 1wbi n LYS 55 Ca 0.03 0.07 -0.13 0.00 -2.87 0.00 0.00 58.31 55.41 1wbi n LYS 55 Cb 0.46 -1.48 -0.13 0.00 -1.84 0.00 0.00 35.03 32.03 1wbi n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wbi h ARG 56 N 0.00 0.15 -6.97 1.97 3.08 -2.01 -3.47 114.38 107.13 1wbi h ARG 56 Ca -0.52 -0.25 -0.54 0.00 0.07 0.00 0.00 59.98 58.73 1wbi h ARG 56 Cb 1.99 0.09 0.11 0.00 0.08 0.00 0.00 29.97 32.24 1wbi h ARG 56 CO -0.03 1.03 0.70 0.00 -1.07 0.00 0.00 179.97 180.60 1wbi s ALA 57 N -2.65 3.32 0.44 0.04 0.00 -1.26 -4.89 121.76 116.75 1wbi s ALA 57 Ca -0.04 1.45 0.14 0.00 0.00 0.00 0.00 51.96 53.51 1wbi s ALA 57 Cb 0.08 -3.58 0.98 0.00 0.00 0.00 0.00 23.12 20.60 1wbi s ALA 57 CO 0.85 -1.11 1.98 0.66 0.00 0.00 0.00 175.76 178.14 1wbi h SER 58 N 2.53 0.00 -2.42 0.00 4.64 -1.97 -3.32 113.55 113.01 1wbi h SER 58 Ca -0.51 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.22 1wbi h SER 58 Cb 1.26 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.95 1wbi h SER 58 CO 0.62 0.20 -0.86 0.00 -0.87 0.00 0.00 176.83 175.92 1wbi n GLN 59 N -4.30 1.04 -2.52 4.77 6.02 -1.26 -4.80 117.38 116.34 1wbi n GLN 59 Ca -0.02 -3.71 -0.34 0.00 -0.01 0.00 0.00 57.00 52.91 1wbi n GLN 59 Cb 0.26 -1.79 -0.03 0.00 1.02 0.00 0.00 30.24 29.69 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 -0.97 3.81 0.58 -1.09 0.04 -1.22 -4.58 135.00 131.57 1wbi s PRO 60 Ca 0.33 1.40 -0.08 0.00 0.04 0.00 0.00 61.00 62.68 1wbi s PRO 60 Cb 0.07 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 1wbi s PRO 60 CO -0.14 -0.43 0.94 0.95 0.04 0.00 0.00 177.00 178.35 1wbi s THR 61 N -1.92 4.46 0.22 1.26 -4.23 -1.26 -1.04 115.64 113.12 1wbi s THR 61 Ca 0.67 0.46 -0.23 0.00 -1.18 0.00 0.00 61.69 61.41 1wbi s THR 61 Cb -0.18 -3.75 0.04 0.00 1.34 0.00 0.00 72.50 69.95 1wbi s THR 61 CO 0.21 -0.87 0.78 0.72 -0.54 0.00 0.00 174.62 174.92 1wbi s PHE 62 N -3.02 -0.22 0.04 3.99 -0.12 -0.46 -1.42 117.98 116.77 1wbi s PHE 62 Ca 0.53 -0.15 -0.14 0.00 -0.05 0.00 0.00 56.93 57.12 1wbi s PHE 62 Cb -0.11 0.66 0.02 0.00 -0.63 0.00 0.00 43.02 42.97 1wbi s PHE 62 CO 0.49 -1.04 0.31 0.20 -0.05 0.00 0.00 175.22 175.13 1wbi s GLY 63 N -2.88 -0.13 0.12 1.99 0.00 -0.54 -1.39 107.32 104.48 1wbi s GLY 63 Ca 0.10 0.03 -0.13 0.00 0.00 0.00 0.00 44.72 44.71 1wbi s GLY 63 CO 0.02 -0.19 0.33 -0.11 0.00 0.00 0.00 173.10 173.15 1wbi s PHE 64 N -2.55 -0.02 -0.10 1.90 -0.12 -0.23 -1.16 117.98 115.70 1wbi s PHE 64 Ca -0.05 -0.34 0.01 0.00 -0.05 0.00 0.00 56.93 56.50 1wbi s PHE 64 Cb -0.01 0.13 -0.02 0.00 -0.63 0.00 0.00 43.02 42.49 1wbi s PHE 64 CO -0.03 -0.67 -0.11 0.99 -0.05 0.00 0.00 175.22 175.35 1wbi s THR 65 N -3.84 3.30 -0.19 -4.49 2.01 -0.29 -0.90 115.64 111.24 1wbi s THR 65 Ca 0.05 -0.60 -0.03 0.00 0.31 0.00 0.00 61.69 61.42 1wbi s THR 65 Cb 0.03 -2.36 -0.02 0.00 0.01 0.00 0.00 72.50 70.16 1wbi s THR 65 CO -0.10 0.55 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.64 1wbi s VAL 66 N -0.16 3.51 -0.54 3.82 1.01 0.34 -1.63 120.40 126.74 1wbi s VAL 66 Ca 0.01 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.34 1wbi s VAL 66 Cb -0.13 -2.57 0.08 0.00 0.00 0.00 0.00 36.38 33.76 1wbi s VAL 66 CO 0.03 0.45 0.62 -2.28 0.00 0.00 0.00 175.10 173.92 1wbi s HIS 67 N 1.03 3.06 0.07 5.22 5.65 -0.72 -1.90 115.29 127.71 1wbi s HIS 67 Ca 0.01 -0.82 -0.31 0.00 0.25 0.00 0.00 55.06 54.19 1wbi s HIS 67 Cb -0.15 -3.71 -0.08 0.00 -1.18 0.00 0.00 32.58 27.46 1wbi s HIS 67 CO 0.00 -1.11 1.48 -1.58 -0.65 0.00 0.00 174.74 172.88 1wbi s TRP 68 N 2.46 2.90 -2.35 3.88 0.52 -1.20 -3.77 118.94 121.38 1wbi s TRP 68 Ca 0.11 0.72 0.26 0.00 0.02 0.00 0.00 56.10 57.21 1wbi s TRP 68 Cb -0.23 -3.77 1.08 0.00 -1.15 0.00 0.00 33.47 29.40 1wbi s TRP 68 CO 0.08 -2.89 1.75 0.09 0.02 0.00 0.00 176.95 176.00 1wbi n ASN 69 N 4.79 1.28 0.00 2.95 4.13 -1.26 -3.88 115.26 123.27 1wbi n ASN 69 Ca 0.13 -1.49 0.00 0.00 1.68 0.00 0.00 54.58 54.90 1wbi n ASN 69 Cb 0.42 -0.03 0.00 0.00 -1.54 0.00 0.00 39.78 38.63 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 0.02 0.00 -4.04 3.10 1.16 -1.26 -5.02 117.46 111.42 1wbi n PHE 70 Ca 0.19 -0.12 -0.13 0.00 -1.87 0.00 0.00 57.45 55.51 1wbi n PHE 70 Cb 0.30 -0.01 -0.03 0.00 -1.61 0.00 0.00 39.48 38.13 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 -0.24 0.70 0.00 5.98 1.04 -1.25 -4.97 113.70 114.97 1wbi s SER 71 Ca 0.00 -1.39 0.22 0.00 0.48 0.00 0.00 55.95 55.25 1wbi s SER 71 Cb 0.00 0.68 0.97 0.00 0.10 0.00 0.00 66.02 67.77 1wbi s SER 71 CO 0.00 -1.34 1.67 -0.62 0.98 0.00 0.00 173.24 173.93 1wbi n GLU 72 N -0.54 1.46 -1.96 4.02 -0.58 -1.26 -4.72 120.64 117.05 1wbi n GLU 72 Ca -0.01 -0.68 -0.31 0.00 -0.42 0.00 0.00 57.16 55.74 1wbi n GLU 72 Cb 0.61 -1.38 0.01 0.00 -0.57 0.00 0.00 31.44 30.11 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 -1.65 6.14 0.01 1.62 0.01 -1.26 -4.52 113.70 114.05 1wbi s SER 73 Ca 0.33 1.53 0.03 0.00 1.31 0.00 0.00 55.95 59.14 1wbi s SER 73 Cb 0.17 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 63.90 1wbi s SER 73 CO 0.26 -0.93 -0.08 -0.89 0.41 0.00 0.00 173.24 172.02 1wbi s THR 74 N -2.96 0.63 0.14 1.44 2.01 -1.00 -3.22 115.64 112.69 1wbi s THR 74 Ca 0.57 -0.58 0.10 0.00 0.31 0.00 0.00 61.69 62.10 1wbi s THR 74 Cb -0.12 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1wbi s THR 74 CO 0.47 0.01 -0.23 -0.44 -0.69 0.00 0.00 174.62 173.75 1wbi s SER 75 N -0.62 3.58 0.02 3.53 0.01 -0.80 -0.55 113.70 118.87 1wbi s SER 75 Ca -0.00 -0.70 0.05 0.00 1.31 0.00 0.00 55.95 56.61 1wbi s SER 75 Cb -0.05 -0.36 -0.02 0.00 0.21 0.00 0.00 66.02 65.80 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 -1.22 1.25 -0.02 3.43 -7.23 -0.11 -0.51 120.40 116.01 1wbi s VAL 76 Ca 0.17 -0.91 0.07 0.00 -1.81 0.00 0.00 61.98 59.50 1wbi s VAL 76 Cb -0.10 -1.09 -0.02 0.00 0.56 0.00 0.00 36.38 35.73 1wbi s VAL 76 CO 0.08 0.17 -0.24 -0.36 -0.31 0.00 0.00 175.10 174.45 1wbi s PHE 77 N -0.66 2.12 0.01 2.82 0.08 -0.07 -1.30 117.98 120.99 1wbi s PHE 77 Ca 0.04 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.70 1wbi s PHE 77 Cb -0.07 -1.37 -0.01 0.00 -0.57 0.00 0.00 43.02 41.00 1wbi s PHE 77 CO 0.01 -0.03 -0.03 0.54 -0.10 0.00 0.00 175.22 175.60 1wbi s VAL 78 N -0.56 0.19 -0.00 -0.44 0.11 -0.12 -1.07 120.40 118.52 1wbi s VAL 78 Ca 0.09 -0.49 -0.00 0.00 -2.93 0.00 0.00 61.98 58.65 1wbi s VAL 78 Cb -0.09 -0.24 0.00 0.00 -1.53 0.00 0.00 36.38 34.52 1wbi s VAL 78 CO -0.01 -0.19 0.02 0.61 -3.33 0.00 0.00 175.10 172.20 1wbi n GLY 79 N 2.36 0.69 3.10 6.54 0.00 -0.48 -1.35 105.19 116.04 1wbi n GLY 79 Ca -0.17 -0.84 -0.20 0.00 0.00 0.00 0.00 46.02 44.80 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 0.96 -0.29 1.61 0.74 -0.73 -1.36 119.66 118.60 1wbi s GLN 80 Ca 0.00 -0.55 -0.15 0.00 0.05 0.00 0.00 55.36 54.71 1wbi s GLN 80 Cb -0.00 -0.94 -0.03 0.00 1.10 0.00 0.00 33.01 33.14 1wbi s GLN 80 CO -0.00 0.25 0.40 0.00 -0.55 0.00 0.00 175.29 175.39 1wbi s PHE 82 N 2.12 3.20 -0.11 0.00 0.08 0.07 -3.46 117.98 119.88 1wbi s PHE 82 Ca 0.15 0.08 -0.00 0.00 0.12 0.00 0.00 56.93 57.28 1wbi s PHE 82 Cb -0.16 -1.62 0.02 0.00 -0.57 0.00 0.00 43.02 40.70 1wbi s PHE 82 CO 0.10 0.52 -0.07 0.08 -0.10 0.00 0.00 175.22 175.76 1wbi s VAL 83 N -1.42 0.99 0.86 -0.44 1.01 -1.26 -1.16 120.40 118.98 1wbi s VAL 83 Ca 0.30 -0.27 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 1wbi s VAL 83 Cb -0.12 -1.02 0.15 0.00 0.00 0.00 0.00 36.38 35.39 1wbi s VAL 83 CO 0.22 0.36 1.20 1.51 0.00 0.00 0.00 175.10 178.40 1wbi s ASP 84 N 1.71 3.80 0.61 3.32 1.47 -0.56 -4.91 116.67 122.12 1wbi s ASP 84 Ca 0.05 0.30 0.38 0.00 1.18 0.00 0.00 52.55 54.46 1wbi s ASP 84 Cb -0.13 -0.57 1.93 0.00 -0.34 0.00 0.00 42.92 43.81 1wbi s ASP 84 CO -0.08 -2.29 2.20 0.08 0.68 0.00 0.00 175.17 175.76 1wbi h ARG 85 N -1.22 0.00 -0.01 2.11 0.11 -2.01 -0.43 114.38 112.93 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 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 1wbi h ARG 85 CO 0.47 0.02 -0.08 0.43 0.10 0.00 0.00 179.97 180.90 1wbi n SER 86 N -3.18 0.84 0.00 0.08 7.64 -1.26 -4.92 113.62 112.82 1wbi n SER 86 Ca -0.02 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.85 1wbi n SER 86 Cb 0.17 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 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 1.21 0.72 3.68 0.23 0.00 -0.17 -5.04 105.19 105.83 1wbi n GLY 87 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.66 4.36 -0.02 1.61 2.20 -1.26 -4.77 119.74 121.20 1wbi s LYS 88 Ca 0.00 1.56 -0.19 0.00 -0.36 0.00 0.00 55.97 56.97 1wbi s LYS 88 Cb 0.00 -3.57 -0.05 0.00 -1.51 0.00 0.00 37.83 32.70 1wbi s LYS 88 CO 0.00 -0.43 0.54 -1.21 -0.36 0.00 0.00 175.35 173.89 1wbi s GLU 89 N 2.29 4.26 -0.05 4.03 2.02 -1.26 -1.49 118.70 128.50 1wbi s GLU 89 Ca 0.52 0.63 0.01 0.00 0.02 0.00 0.00 54.97 56.16 1wbi s GLU 89 Cb -0.22 -3.34 0.02 0.00 0.10 0.00 0.00 34.13 30.70 1wbi s GLU 89 CO 0.19 0.39 -0.06 0.08 0.02 0.00 0.00 175.26 175.87 1wbi s VAL 90 N -0.20 0.67 -0.42 2.63 1.01 -0.31 -4.39 120.40 119.39 1wbi s VAL 90 Ca 0.29 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.86 1wbi s VAL 90 Cb -0.17 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.55 1wbi s VAL 90 CO 0.15 0.26 0.64 -0.76 0.00 0.00 0.00 175.10 175.39 1wbi s LEU 91 N 0.88 4.45 -0.42 3.92 1.43 -0.02 -0.75 118.68 128.17 1wbi s LEU 91 Ca -0.12 -0.25 -0.19 0.00 -1.03 0.00 0.00 54.13 52.55 1wbi s LEU 91 Cb -0.15 -2.74 0.02 0.00 0.03 0.00 0.00 46.19 43.35 1wbi s LEU 91 CO 0.01 -0.74 0.53 -0.54 0.23 0.00 0.00 176.35 175.83 1wbi s LYS 92 N 2.80 3.22 0.18 1.70 -0.14 -0.36 -1.08 119.74 126.07 1wbi s LYS 92 Ca 0.23 -0.55 0.09 0.00 -1.36 0.00 0.00 55.97 54.39 1wbi s LYS 92 Cb -0.14 -3.94 -0.04 0.00 -1.68 0.00 0.00 37.83 32.02 1wbi s LYS 92 CO 0.18 -0.89 -0.19 0.95 -0.76 0.00 0.00 175.35 174.64 1wbi s THR 93 N 2.43 1.99 0.13 2.17 -4.23 -0.16 -1.77 115.64 116.20 1wbi s THR 93 Ca 0.17 -2.01 0.09 0.00 -1.18 0.00 0.00 61.69 58.76 1wbi s THR 93 Cb -0.16 -1.96 -0.04 0.00 1.34 0.00 0.00 72.50 71.69 1wbi s THR 93 CO 0.16 -0.30 -0.21 -0.54 -0.54 0.00 0.00 174.62 173.18 1wbi s LYS 94 N -2.90 1.24 0.06 3.99 1.02 -0.46 -1.41 119.74 121.28 1wbi s LYS 94 Ca 0.19 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 54.89 1wbi s LYS 94 Cb -0.06 -1.48 -0.04 0.00 -0.52 0.00 0.00 37.83 35.73 1wbi s LYS 94 CO 0.08 0.33 -0.04 1.67 -0.92 0.00 0.00 175.35 176.47 1wbi s TRP 95 N -1.44 0.58 -0.05 3.18 1.48 0.01 -0.94 118.94 121.75 1wbi s TRP 95 Ca 0.11 -0.92 0.04 0.00 -1.06 0.00 0.00 56.10 54.27 1wbi s TRP 95 Cb -0.09 -0.39 0.00 0.00 -1.16 0.00 0.00 33.47 31.83 1wbi s TRP 95 CO 0.06 -0.28 -0.16 -0.51 -4.06 0.00 0.00 176.95 172.00 1wbi s LEU 96 N -2.66 1.84 -0.20 -4.66 1.43 -0.42 -1.50 118.68 112.51 1wbi s LEU 96 Ca 0.04 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1wbi s LEU 96 Cb 0.04 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 45.33 1wbi s LEU 96 CO -0.07 0.11 -0.10 -1.58 0.23 0.00 0.00 176.35 174.95 1wbi s GLN 97 N 0.25 3.26 -0.21 1.70 0.74 0.01 -0.93 119.66 124.47 1wbi s GLN 97 Ca -0.08 -0.69 -0.17 0.00 0.05 0.00 0.00 55.36 54.47 1wbi s GLN 97 Cb -0.13 -2.85 -0.04 0.00 1.10 0.00 0.00 33.01 31.09 1wbi s GLN 97 CO 0.03 -0.18 0.45 0.50 -0.55 0.00 0.00 175.29 175.53 1wbi s ARG 98 N 1.36 4.16 0.16 1.67 6.06 0.29 -1.12 118.95 131.53 1wbi s ARG 98 Ca 0.05 0.27 -0.06 0.00 -2.50 0.00 0.00 55.73 53.49 1wbi s ARG 98 Cb -0.14 -3.56 -0.06 0.00 0.06 0.00 0.00 34.95 31.25 1wbi s ARG 98 CO -0.06 -0.12 0.41 -0.51 -2.50 0.00 0.00 175.30 172.52 1wbi s LEU 99 N 1.54 4.25 -0.08 -0.88 2.01 0.33 -2.38 118.68 123.48 1wbi s LEU 99 Ca 0.21 0.65 -0.26 0.00 0.01 0.00 0.00 54.13 54.74 1wbi s LEU 99 Cb -0.15 -3.37 -0.03 0.00 0.01 0.00 0.00 46.19 42.65 1wbi s LEU 99 CO 0.09 0.03 0.81 0.00 1.01 0.00 0.00 176.35 178.29 1wbi s ALA 100 N -1.68 3.34 0.25 4.21 0.00 -1.26 -4.84 121.76 121.77 1wbi s ALA 100 Ca 0.42 0.21 0.11 0.00 0.00 0.00 0.00 51.96 52.71 1wbi s ALA 100 Cb -0.12 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 1wbi s ALA 100 CO 0.24 -0.28 -0.16 0.14 0.00 0.00 0.00 175.76 175.70 1wbi s VAL 101 N 1.20 2.69 -0.52 0.00 -7.23 -1.26 -5.07 120.40 110.21 1wbi s VAL 101 Ca 0.41 -2.16 0.24 0.00 -1.81 0.00 0.00 61.98 58.66 1wbi s VAL 101 Cb -0.18 -2.39 0.05 0.00 0.56 0.00 0.00 36.38 34.42 1wbi s VAL 101 CO 0.19 -0.30 1.25 0.44 -0.31 0.00 0.00 175.10 176.37 1wbi h ASP 102 N 2.48 0.00 -3.81 4.85 3.32 -1.97 -3.46 116.42 117.83 1wbi h ASP 102 Ca -0.43 -0.15 -0.40 0.00 0.02 0.00 0.00 57.03 56.07 1wbi h ASP 102 Cb 1.24 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.49 1wbi h ASP 102 CO 0.57 0.08 -0.78 -0.62 -1.72 0.00 0.00 179.24 176.77 1wbi s ASP 103 N -4.61 1.02 0.55 6.45 2.15 -1.26 -5.02 116.67 115.95 1wbi s ASP 103 Ca 0.04 -0.15 0.28 0.00 0.43 0.00 0.00 52.55 53.15 1wbi s ASP 103 Cb 0.12 -0.26 1.46 0.00 -0.30 0.00 0.00 42.92 43.94 1wbi s ASP 103 CO 0.74 0.05 1.96 -0.29 -0.17 0.00 0.00 175.17 177.46 1wbi h ILE 104 N 5.38 0.57 0.00 4.11 2.10 -2.03 -0.86 117.51 126.79 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 1.17 0.69 0.00 0.00 -1.09 0.00 0.00 36.82 37.59 1wbi h ILE 104 CO 0.49 0.00 0.00 0.77 -1.08 0.00 0.00 178.15 178.33 1wbi h SER 105 N 0.00 0.00 -0.43 2.19 4.64 -2.00 -1.72 113.55 116.24 1wbi h SER 105 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1wbi h SER 105 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 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 -2.40 2.90 -0.21 4.97 8.00 -0.33 -4.57 116.55 124.91 1wbi n ASP 106 Ca 0.02 -1.94 0.13 0.00 0.71 0.00 0.00 54.79 53.70 1wbi n ASP 106 Cb 0.23 -0.28 0.43 0.00 -0.02 0.00 0.00 41.12 41.47 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 3.48 0.54 -0.49 -2.24 3.58 -1.41 -2.19 116.42 117.69 1wbi h ASP 107 Ca 0.00 0.03 0.14 0.00 0.42 0.00 0.00 57.03 57.62 1wbi h ASP 107 Cb 0.78 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.73 1wbi h ASP 107 CO 0.00 0.29 0.41 4.11 -2.88 0.00 0.00 179.24 181.17 1wbi h TRP 108 N 0.58 0.00 -0.00 0.28 5.08 -1.84 -2.09 115.95 117.96 1wbi h TRP 108 Ca 0.39 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.36 1wbi h TRP 108 Cb 0.71 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.87 1wbi h TRP 108 CO -0.00 0.00 -0.40 1.51 -1.28 0.00 0.00 178.44 178.26 1wbi n ILE 109 N -4.08 0.00 1.31 0.12 3.06 -0.82 -4.55 119.36 114.40 1wbi n ILE 109 Ca 0.09 -0.01 0.13 0.00 -2.50 0.00 0.00 62.75 60.46 1wbi n ILE 109 Cb 0.62 0.16 0.44 0.00 0.54 0.00 0.00 39.64 41.39 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 -1.40 2.96 -4.03 1.51 0.00 -0.79 -4.80 120.51 113.96 1wbi n ALA 110 Ca 0.07 -0.39 -0.31 0.00 0.00 0.00 0.00 53.44 52.80 1wbi n ALA 110 Cb 0.33 -1.17 -0.15 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.42 1.88 0.31 0.00 2.01 -1.26 -0.51 115.64 115.65 1wbi s THR 111 Ca 0.27 -1.33 -0.13 0.00 0.31 0.00 0.00 61.69 60.82 1wbi s THR 111 Cb 0.20 -1.99 -0.08 0.00 0.01 0.00 0.00 72.50 70.63 1wbi s THR 111 CO 0.49 0.05 0.69 -0.13 -0.69 0.00 0.00 174.62 175.02 1wbi s ARG 112 N 1.26 3.90 0.04 4.92 0.52 -0.28 -4.92 118.95 124.40 1wbi s ARG 112 Ca -0.05 0.51 0.07 0.00 -0.52 0.00 0.00 55.73 55.74 1wbi s ARG 112 Cb -0.18 -2.49 -0.02 0.00 0.52 0.00 0.00 34.95 32.78 1wbi s ARG 112 CO -0.07 0.17 -0.20 0.54 0.02 0.00 0.00 175.30 175.77 1wbi s VAL 113 N -2.01 1.57 0.00 3.52 0.11 -1.26 -0.81 120.40 121.52 1wbi s VAL 113 Ca 0.52 -1.17 0.00 0.00 -2.93 0.00 0.00 61.98 58.40 1wbi s VAL 113 Cb -0.10 -1.37 0.00 0.00 -1.53 0.00 0.00 36.38 33.37 1wbi s VAL 113 CO 0.21 0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.75 1wbi n GLY 114 N 1.84 1.80 3.11 6.54 0.00 -0.56 -5.00 105.19 112.92 1wbi n GLY 114 Ca -0.17 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.04 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 1.38 0.64 -0.23 1.61 4.22 -1.26 -0.81 114.94 120.48 1wbi s ASN 115 Ca 0.00 -1.00 -0.21 0.00 -2.14 0.00 0.00 52.86 49.51 1wbi s ASN 115 Cb 0.00 0.18 0.06 0.00 1.28 0.00 0.00 41.25 42.77 1wbi s ASN 115 CO 0.00 -0.57 0.60 0.20 -2.04 0.00 0.00 177.10 175.30 1wbi s ASN 116 N -2.94 -0.64 -0.15 3.54 0.02 -0.50 -4.92 114.94 109.36 1wbi s ASN 116 Ca 0.08 1.22 -0.05 0.00 -1.02 0.00 0.00 52.86 53.09 1wbi s ASN 116 Cb 0.07 1.23 -0.03 0.00 0.02 0.00 0.00 41.25 42.54 1wbi s ASN 116 CO -0.09 -0.21 0.02 -1.81 0.02 0.00 0.00 177.10 175.03 1wbi s ASP 117 N 0.36 5.28 0.02 -1.22 1.01 -1.26 -0.99 116.67 119.87 1wbi s ASP 117 Ca -0.00 0.04 0.05 0.00 0.71 0.00 0.00 52.55 53.35 1wbi s ASP 117 Cb -0.04 -1.78 -0.03 0.00 1.01 0.00 0.00 42.92 42.07 1wbi s ASP 117 CO 0.00 0.23 -0.13 -0.36 0.21 0.00 0.00 175.17 175.12 1wbi s PHE 118 N 0.01 2.69 0.16 4.23 0.08 -0.24 -2.47 117.98 122.43 1wbi s PHE 118 Ca 0.03 -0.17 0.05 0.00 0.12 0.00 0.00 56.93 56.97 1wbi s PHE 118 Cb -0.13 -1.53 -0.04 0.00 -0.57 0.00 0.00 43.02 40.75 1wbi s PHE 118 CO 0.02 0.30 -0.12 0.95 -0.10 0.00 0.00 175.22 176.27 1wbi s THR 119 N -0.95 1.33 0.26 0.64 -4.23 -0.51 -0.84 115.64 111.34 1wbi s THR 119 Ca 0.16 -2.03 -0.30 0.00 -1.18 0.00 0.00 61.69 58.34 1wbi s THR 119 Cb -0.11 -1.83 -0.09 0.00 1.34 0.00 0.00 72.50 71.81 1wbi s THR 119 CO 0.06 -0.65 1.05 -0.60 -0.54 0.00 0.00 174.62 173.94 1wbi s ARG 120 N -3.53 4.70 0.48 3.99 3.52 -1.26 -0.79 118.95 126.06 1wbi s ARG 120 Ca 0.17 1.70 -0.23 0.00 -0.13 0.00 0.00 55.73 57.23 1wbi s ARG 120 Cb 0.00 -3.23 -0.07 0.00 -1.56 0.00 0.00 34.95 30.10 1wbi s ARG 120 CO 0.02 0.29 1.28 -0.65 -0.81 0.00 0.00 175.30 175.44 1wbi s GLN 121 N -1.26 3.58 0.43 5.12 -0.21 0.33 -4.79 119.66 122.86 1wbi s GLN 121 Ca 0.44 2.07 -0.24 0.00 0.02 0.00 0.00 55.36 57.65 1wbi s GLN 121 Cb -0.30 -2.45 -0.08 0.00 1.00 0.00 0.00 33.01 31.18 1wbi s GLN 121 CO 0.38 -0.78 1.14 -1.01 -2.12 0.00 0.00 175.29 172.89 1wbi s HIS 122 N -1.37 3.03 0.00 0.91 3.76 -1.26 -4.97 115.29 115.39 1wbi s HIS 122 Ca 0.65 1.57 0.00 0.00 -0.15 0.00 0.00 55.06 57.13 1wbi s HIS 122 Cb -0.36 -3.31 0.00 0.00 1.11 0.00 0.00 32.58 30.02 1wbi s HIS 122 CO 0.44 -1.22 0.00 2.41 -0.85 0.00 0.00 174.74 175.52