#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wbu n GLU 2 N 0.00 2.33 -0.93 1.64 2.13 -1.26 -4.95 120.64 119.61 1wbu n GLU 2 Ca 0.00 0.84 -0.31 0.00 0.66 0.00 0.00 57.16 58.35 1wbu n GLU 2 Cb 0.00 -2.65 0.14 0.00 0.27 0.00 0.00 31.44 29.19 1wbu n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1wbu s THR 3 N 1.69 2.39 0.17 6.31 -4.23 -1.26 -4.80 115.64 115.91 1wbu s THR 3 Ca 0.81 0.13 -0.13 0.00 -1.18 0.00 0.00 61.69 61.32 1wbu s THR 3 Cb -0.63 -2.34 0.07 0.00 1.34 0.00 0.00 72.50 70.94 1wbu s THR 3 CO 0.39 -0.16 1.76 0.00 -0.54 0.00 0.00 174.62 176.08 1wbu h ALA 4 N -1.47 0.72 -0.71 3.99 0.00 -1.93 -1.16 119.26 118.69 1wbu h ALA 4 Ca -0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1wbu h ALA 4 Cb 1.26 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1wbu h ALA 4 CO 0.45 0.27 0.42 0.00 0.00 0.00 0.00 179.25 180.38 1wbu h ALA 5 N 1.12 0.91 -0.61 0.00 0.00 -1.87 -1.36 119.26 117.44 1wbu h ALA 5 Ca 0.19 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1wbu h ALA 5 Cb 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1wbu h ALA 5 CO -0.03 0.39 0.14 0.00 0.00 0.00 0.00 179.25 179.75 1wbu h ALA 6 N 1.22 0.81 -0.69 0.00 0.00 -1.84 -2.03 119.26 116.73 1wbu h ALA 6 Ca 0.25 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1wbu h ALA 6 Cb -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1wbu h ALA 6 CO -0.05 0.53 0.22 -0.22 0.00 0.00 0.00 179.25 179.74 1wbu h LYS 7 N 0.90 1.05 -0.59 0.00 3.64 -0.99 -0.70 116.57 119.88 1wbu h LYS 7 Ca 0.19 -0.21 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1wbu h LYS 7 Cb 0.37 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 1wbu h LYS 7 CO 0.00 0.89 0.36 0.35 -2.27 0.00 0.00 179.45 178.79 1wbu h PHE 8 N 1.02 0.68 -0.53 1.91 3.57 -0.94 0.18 116.94 122.82 1wbu h PHE 8 Ca 0.23 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 1wbu h PHE 8 Cb 0.27 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1wbu h PHE 8 CO 0.02 0.39 0.06 0.93 -2.23 0.00 0.00 178.31 177.48 1wbu h GLU 9 N 0.72 0.90 -0.47 1.11 5.08 -0.95 0.18 114.58 121.15 1wbu h GLU 9 Ca 0.24 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1wbu h GLU 9 Cb 0.01 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1wbu h GLU 9 CO -0.10 0.89 0.19 -0.09 -1.00 0.00 0.00 179.01 178.91 1wbu h ARG 10 N 0.78 0.70 0.00 2.33 2.43 -0.84 -1.79 114.38 118.00 1wbu h ARG 10 Ca 0.16 -0.13 -0.19 0.00 -0.81 0.00 0.00 59.98 59.02 1wbu h ARG 10 Cb 0.44 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 1wbu h ARG 10 CO 0.02 0.63 -0.89 1.96 -1.51 0.00 0.00 179.97 180.17 1wbu h GLN 11 N 0.62 0.00 0.00 0.20 4.20 -0.51 -3.42 115.11 116.20 1wbu h GLN 11 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1wbu h GLN 11 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1wbu h GLN 11 CO -0.01 0.89 0.00 0.72 -0.67 0.00 0.00 178.83 179.76 1wbu n HIS 12 N -3.35 0.00 -4.01 2.96 8.25 0.61 -4.68 115.22 115.01 1wbu n HIS 12 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1wbu n HIS 12 Cb 0.89 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.88 1wbu n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1wbu s MET 13 N -0.26 3.69 -0.44 -0.41 -1.94 -0.68 0.20 119.30 119.46 1wbu s MET 13 Ca 0.00 -0.48 0.05 0.00 -1.71 0.00 0.00 55.69 53.55 1wbu s MET 13 Cb 0.00 -3.15 0.17 0.00 2.01 0.00 0.00 34.83 33.87 1wbu s MET 13 CO 0.00 0.02 0.46 0.34 -0.01 0.00 0.00 175.02 175.83 1wbu s ASP 14 N 0.99 0.55 0.19 3.03 2.15 -0.27 -4.81 116.67 118.50 1wbu s ASP 14 Ca 0.02 -2.54 -0.01 0.00 0.43 0.00 0.00 52.55 50.45 1wbu s ASP 14 Cb -0.14 0.35 0.10 0.00 -0.30 0.00 0.00 42.92 42.92 1wbu s ASP 14 CO 0.02 -0.14 1.47 0.28 -0.17 0.00 0.00 175.17 176.63 1wbu h SER 15 N 5.57 0.48 -0.48 -0.34 0.02 -1.77 -3.36 113.55 113.67 1wbu h SER 15 Ca 0.19 -0.30 0.07 0.00 -0.84 0.00 0.00 61.79 60.91 1wbu h SER 15 Cb 0.98 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.35 1wbu h SER 15 CO 0.25 1.01 0.33 -1.28 -1.14 0.00 0.00 176.83 176.00 1wbu h SER 16 N 0.30 0.33 -3.31 3.07 0.87 -1.91 -3.41 113.55 109.50 1wbu h SER 16 Ca -0.02 0.00 -0.45 0.00 -1.23 0.00 0.00 61.79 60.09 1wbu h SER 16 Cb 1.22 -0.07 0.08 0.00 -0.44 0.00 0.00 62.40 63.19 1wbu h SER 16 CO 0.11 0.22 0.16 0.42 -0.53 0.00 0.00 176.83 177.21 1wbu s THR 17 N -5.36 2.34 -0.14 2.23 -4.23 -1.26 -5.02 115.64 104.19 1wbu s THR 17 Ca -0.07 -0.38 0.17 0.00 -1.18 0.00 0.00 61.69 60.23 1wbu s THR 17 Cb 0.19 -2.95 -0.24 0.00 1.34 0.00 0.00 72.50 70.83 1wbu s THR 17 CO 0.73 0.00 0.32 -1.20 -0.54 0.00 0.00 174.62 173.93 1wbu n SER 18 N -2.82 0.26 -3.59 3.99 7.64 -1.26 -4.83 113.62 113.01 1wbu n SER 18 Ca 0.09 0.12 -0.02 0.00 1.01 0.00 0.00 58.87 60.07 1wbu n SER 18 Cb 0.60 0.83 0.00 0.00 -1.01 0.00 0.00 64.21 64.64 1wbu n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wbu s ALA 19 N -2.69 -1.83 -0.59 -0.43 0.00 -1.26 -4.85 121.76 110.10 1wbu s ALA 19 Ca -0.08 0.05 -0.27 0.00 0.00 0.00 0.00 51.96 51.67 1wbu s ALA 19 Cb 0.08 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 1wbu s ALA 19 CO 0.84 -1.07 1.83 0.00 0.00 0.00 0.00 175.76 177.36 1wbu s ALA 20 N -2.56 2.25 0.00 0.00 0.00 -1.26 -4.90 121.76 115.30 1wbu s ALA 20 Ca 0.18 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1wbu s ALA 20 Cb -0.00 -4.28 0.00 0.00 0.00 0.00 0.00 23.12 18.84 1wbu s ALA 20 CO 0.02 -3.76 0.77 0.45 0.00 0.00 0.00 175.76 173.24 1wbu n SER 21 N 12.40 0.00 -4.94 0.00 2.88 -1.26 -4.81 113.62 117.88 1wbu n SER 21 Ca 0.20 0.77 -0.24 0.00 -1.33 0.00 0.00 58.87 58.27 1wbu n SER 21 Cb 0.52 -0.27 -0.02 0.00 -0.75 0.00 0.00 64.21 63.68 1wbu n SER 21 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wbu s SER 22 N -2.10 6.33 0.12 -3.46 1.04 -1.26 -4.95 113.70 109.42 1wbu s SER 22 Ca 0.00 0.35 0.08 0.00 0.48 0.00 0.00 55.95 56.86 1wbu s SER 22 Cb 0.00 -1.99 0.44 0.00 0.10 0.00 0.00 66.02 64.57 1wbu s SER 22 CO 0.00 -0.18 1.24 -1.54 0.98 0.00 0.00 173.24 173.74 1wbu n SER 23 N -1.42 0.21 -0.24 7.02 3.41 -1.26 -1.18 113.62 120.16 1wbu n SER 23 Ca -0.06 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.27 1wbu n SER 23 Cb 0.56 -0.62 0.29 0.00 -0.26 0.00 0.00 64.21 64.18 1wbu n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1wbu n ASN 24 N -1.78 1.09 -0.03 4.04 2.85 -1.26 -4.34 115.26 115.83 1wbu n ASN 24 Ca -0.01 -0.89 -0.09 0.00 -0.11 0.00 0.00 54.58 53.48 1wbu n ASN 24 Cb 0.02 0.22 -0.03 0.00 1.24 0.00 0.00 39.78 41.23 1wbu n ASN 24 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1wbu h TYR 25 N 1.17 -0.77 -0.46 1.20 3.20 -1.53 -2.40 116.97 117.38 1wbu h TYR 25 Ca 0.00 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1wbu h TYR 25 Cb 0.54 0.37 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 1wbu h TYR 25 CO 0.00 -0.36 0.22 0.00 -1.64 0.00 0.00 178.16 176.38 1wbu h ASN 27 N 0.60 0.62 -0.15 0.00 2.35 -1.72 0.48 115.58 117.76 1wbu h ASN 27 Ca 0.16 0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.87 1wbu h ASN 27 Cb 0.11 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1wbu h ASN 27 CO -0.02 0.33 -0.28 1.56 -1.65 0.00 0.00 177.43 177.36 1wbu h GLN 28 N 0.73 0.47 -0.10 0.81 4.20 -1.06 -3.20 115.11 116.95 1wbu h GLN 28 Ca 0.42 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 1wbu h GLN 28 Cb 0.46 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 1wbu h GLN 28 CO -0.28 0.90 -0.07 0.52 -0.67 0.00 0.00 178.83 179.22 1wbu h MET 29 N 0.09 0.22 -0.96 1.46 2.86 -0.67 -1.54 114.93 116.38 1wbu h MET 29 Ca 0.01 -0.11 0.10 0.00 -2.06 0.00 0.00 59.70 57.65 1wbu h MET 29 Cb 0.87 -0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.45 1wbu h MET 29 CO 0.06 0.61 0.60 0.52 1.06 0.00 0.00 176.91 179.76 1wbu h MET 30 N -0.16 0.96 -0.07 1.72 2.86 -1.05 0.18 114.93 119.37 1wbu h MET 30 Ca 0.02 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1wbu h MET 30 Cb 0.55 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 1wbu h MET 30 CO 0.02 0.63 -0.04 -0.22 1.06 0.00 0.00 176.91 178.36 1wbu h LYS 31 N 0.99 0.15 -0.34 1.72 3.64 -1.53 0.25 116.57 121.44 1wbu h LYS 31 Ca 0.46 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.66 1wbu h LYS 31 Cb 0.40 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1wbu h LYS 31 CO -0.24 0.53 -0.26 0.66 -2.27 0.00 0.00 179.45 177.86 1wbu h SER 32 N -0.24 0.71 0.00 4.20 4.64 -0.67 -1.73 113.55 120.46 1wbu h SER 32 Ca 0.01 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1wbu h SER 32 Cb 0.49 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1wbu h SER 32 CO 0.01 0.94 0.00 0.54 -0.87 0.00 0.00 176.83 177.45 1wbu n ARG 33 N -4.10 0.99 -3.14 4.77 5.12 0.57 -4.88 116.66 115.99 1wbu n ARG 33 Ca -0.00 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.76 1wbu n ARG 33 Cb 0.45 -1.16 0.05 0.00 -1.16 0.00 0.00 32.46 30.63 1wbu n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1wbu n ASN 34 N -0.66 -4.89 -1.14 0.55 3.02 -0.65 -4.86 115.26 106.64 1wbu n ASN 34 Ca 0.08 -0.33 0.11 0.00 -0.03 0.00 0.00 54.58 54.41 1wbu n ASN 34 Cb 0.04 -3.53 0.25 0.00 -0.61 0.00 0.00 39.78 35.92 1wbu n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1wbu n LEU 35 N -3.38 3.55 -0.14 3.41 4.77 0.89 -4.23 117.00 121.86 1wbu n LEU 35 Ca -0.01 -1.78 0.03 0.00 -0.03 0.00 0.00 56.01 54.22 1wbu n LEU 35 Cb 0.55 -0.34 0.04 0.00 -2.33 0.00 0.00 43.42 41.33 1wbu n LEU 35 CO 0.41 0.84 0.40 0.35 -1.33 0.00 0.00 177.39 178.06 1wbu n THR 36 N 1.38 0.79 -0.04 -5.08 -2.24 -1.21 -1.82 114.28 106.05 1wbu n THR 36 Ca 0.20 -0.89 -0.11 0.00 -2.27 0.00 0.00 64.05 60.98 1wbu n THR 36 Cb 0.57 0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 69.15 1wbu n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1wbu h LYS 37 N 0.00 0.25 0.00 -0.78 3.64 -1.90 -3.29 116.57 114.50 1wbu h LYS 37 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1wbu h LYS 37 Cb 0.97 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1wbu h LYS 37 CO 0.00 0.34 -0.42 -0.25 -2.27 0.00 0.00 179.45 176.85 1wbu n ASP 38 N -4.85 0.60 -3.56 4.20 8.00 -1.26 -5.04 116.55 114.63 1wbu n ASP 38 Ca -0.04 -0.61 -0.07 0.00 0.71 0.00 0.00 54.79 54.78 1wbu n ASP 38 Cb 0.12 1.03 -0.03 0.00 -0.02 0.00 0.00 41.12 42.23 1wbu n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wbu s ARG 39 N -1.73 0.52 -0.45 -1.24 1.70 -1.24 -5.10 118.95 111.41 1wbu s ARG 39 Ca 0.02 -0.14 -0.29 0.00 -0.47 0.00 0.00 55.73 54.85 1wbu s ARG 39 Cb 0.05 0.24 0.02 0.00 -0.57 0.00 0.00 34.95 34.69 1wbu s ARG 39 CO 0.29 -0.22 1.26 0.00 -1.08 0.00 0.00 175.30 175.55 1wbu n LYS 41 N 7.93 2.67 -0.14 0.00 4.81 -0.76 -4.87 118.16 127.80 1wbu n LYS 41 Ca 0.14 0.94 -0.08 0.00 -0.87 0.00 0.00 58.31 58.44 1wbu n LYS 41 Cb 0.48 -3.05 0.01 0.00 0.02 0.00 0.00 35.03 32.49 1wbu n LYS 41 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1wbu h PRO 42 N 11.53 0.56 -3.60 1.64 0.11 -1.93 -3.44 132.00 136.88 1wbu h PRO 42 Ca -0.48 -0.03 -0.32 0.00 0.11 0.00 0.00 66.00 65.27 1wbu h PRO 42 Cb 1.24 -0.13 -0.34 0.00 0.11 0.00 0.00 31.00 31.88 1wbu h PRO 42 CO 0.94 0.37 -0.74 0.08 -0.21 0.00 0.00 178.00 178.45 1wbu s VAL 43 N -6.16 0.04 -0.21 3.15 1.01 -1.26 -0.31 120.40 116.66 1wbu s VAL 43 Ca -0.13 0.17 -0.17 0.00 0.00 0.00 0.00 61.98 61.85 1wbu s VAL 43 Cb 0.11 -0.17 0.06 0.00 0.00 0.00 0.00 36.38 36.38 1wbu s VAL 43 CO 0.73 0.12 0.54 0.21 0.00 0.00 0.00 175.10 176.70 1wbu s ASN 44 N 1.11 -0.61 -0.11 3.32 2.47 -0.24 -5.03 114.94 115.85 1wbu s ASN 44 Ca -0.09 1.12 -0.01 0.00 0.42 0.00 0.00 52.86 54.31 1wbu s ASN 44 Cb -0.13 1.09 -0.03 0.00 -1.45 0.00 0.00 41.25 40.74 1wbu s ASN 44 CO -0.02 -0.20 -0.08 -0.89 -3.72 0.00 0.00 177.10 172.19 1wbu s THR 45 N 0.65 3.57 -0.10 -5.21 2.01 -1.26 -0.55 115.64 114.74 1wbu s THR 45 Ca -0.03 -0.50 -0.03 0.00 0.31 0.00 0.00 61.69 61.44 1wbu s THR 45 Cb -0.05 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.93 1wbu s THR 45 CO -0.04 0.55 0.02 -0.36 -0.69 0.00 0.00 174.62 174.09 1wbu s PHE 46 N -0.16 3.20 -0.10 4.92 0.08 -0.17 -4.35 117.98 121.40 1wbu s PHE 46 Ca 0.02 0.19 -0.01 0.00 0.12 0.00 0.00 56.93 57.25 1wbu s PHE 46 Cb -0.13 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.46 1wbu s PHE 46 CO 0.03 0.45 -0.05 0.08 -0.10 0.00 0.00 175.22 175.63 1wbu s VAL 47 N -0.74 3.86 -1.17 -0.44 1.01 0.13 -0.69 120.40 122.36 1wbu s VAL 47 Ca 0.12 -0.40 0.12 0.00 0.00 0.00 0.00 61.98 61.81 1wbu s VAL 47 Cb -0.12 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.67 1wbu s VAL 47 CO 0.02 0.57 0.74 1.41 0.00 0.00 0.00 175.10 177.84 1wbu n HIS 48 N 2.63 0.00 -1.08 5.22 -0.00 -0.61 -1.11 115.22 120.26 1wbu n HIS 48 Ca -0.18 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.26 1wbu n HIS 48 Cb 0.53 0.00 0.19 0.00 -0.00 0.00 0.00 29.99 30.71 1wbu n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1wbu s GLU 49 N -1.34 0.10 0.65 -0.41 0.41 -1.26 -4.39 118.70 112.46 1wbu s GLU 49 Ca 0.11 0.51 -0.16 0.00 -0.41 0.00 0.00 54.97 55.02 1wbu s GLU 49 Cb 0.09 -1.70 -0.01 0.00 -1.78 0.00 0.00 34.13 30.74 1wbu s GLU 49 CO 0.25 -2.95 1.15 -1.54 -0.49 0.00 0.00 175.26 171.67 1wbu s SER 50 N -3.34 5.01 0.27 -0.19 1.04 -1.26 -4.39 113.70 110.84 1wbu s SER 50 Ca 0.66 2.18 -0.00 0.00 0.48 0.00 0.00 55.95 59.27 1wbu s SER 50 Cb -0.19 -2.57 0.51 0.00 0.10 0.00 0.00 66.02 63.86 1wbu s SER 50 CO 0.59 -1.71 1.82 0.25 0.98 0.00 0.00 173.24 175.17 1wbu h LEU 51 N 0.30 0.83 -0.41 2.42 5.85 -1.97 -2.06 115.31 120.27 1wbu h LEU 51 Ca -0.48 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.32 1wbu h LEU 51 Cb 1.27 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 1wbu h LEU 51 CO 0.54 0.44 0.21 0.00 -0.34 0.00 0.00 178.44 179.28 1wbu h ALA 52 N 1.52 0.51 -0.86 1.25 0.00 -1.98 0.19 119.26 119.88 1wbu h ALA 52 Ca 0.47 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 1wbu h ALA 52 Cb 0.47 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1wbu h ALA 52 CO -0.27 -0.15 0.50 -0.44 0.00 0.00 0.00 179.25 178.89 1wbu h ASP 53 N 0.42 1.05 -0.12 0.00 5.19 -1.80 -0.76 116.42 120.39 1wbu h ASP 53 Ca 0.17 -0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 56.47 1wbu h ASP 53 Cb 0.07 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.31 1wbu h ASP 53 CO -0.12 0.82 -0.07 0.58 -3.12 0.00 0.00 179.24 177.34 1wbu h VAL 54 N 1.18 1.32 -0.50 -1.35 2.07 -0.92 -2.90 116.25 115.15 1wbu h VAL 54 Ca 0.30 -1.12 0.06 0.00 0.82 0.00 0.00 66.70 66.77 1wbu h VAL 54 Cb -0.02 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1wbu h VAL 54 CO -0.05 0.32 0.34 1.56 0.02 0.00 0.00 177.57 179.75 1wbu h GLN 55 N -0.09 0.43 0.00 1.57 4.20 -0.57 -1.37 115.11 119.27 1wbu h GLN 55 Ca 0.03 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1wbu h GLN 55 Cb 0.54 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 1wbu h GLN 55 CO 0.02 0.28 -0.05 0.00 -0.67 0.00 0.00 178.83 178.41 1wbu h ALA 56 N 1.73 1.19 -0.29 3.87 0.00 -0.93 -2.47 119.26 122.36 1wbu h ALA 56 Ca 0.22 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.16 1wbu h ALA 56 Cb 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1wbu h ALA 56 CO -0.06 0.06 0.25 0.28 0.00 0.00 0.00 179.25 179.78 1wbu h VAL 57 N 0.00 0.62 0.00 0.00 2.07 -1.19 -0.43 116.25 117.32 1wbu h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1wbu h VAL 57 Cb 0.22 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1wbu h VAL 57 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 1wbu n SER 59 N -1.28 2.60 0.00 0.00 3.41 -0.17 -5.00 113.62 113.17 1wbu n SER 59 Ca 0.05 -2.50 0.00 0.00 -0.26 0.00 0.00 58.87 56.16 1wbu n SER 59 Cb 0.08 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1wbu n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wbu n GLN 60 N -0.59 1.32 -2.70 4.33 6.02 -0.26 -5.01 117.38 120.50 1wbu n GLN 60 Ca 0.11 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.67 1wbu n GLN 60 Cb 0.51 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.74 1wbu n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1wbu s LYS 61 N 4.44 3.58 0.10 -1.09 2.20 -0.95 -4.88 119.74 123.14 1wbu s LYS 61 Ca 0.00 0.28 -0.31 0.00 -0.36 0.00 0.00 55.97 55.58 1wbu s LYS 61 Cb 0.00 -3.95 -0.08 0.00 -1.51 0.00 0.00 37.83 32.29 1wbu s LYS 61 CO 0.00 -1.39 1.45 1.21 -0.36 0.00 0.00 175.35 176.26 1wbu s ASN 62 N 2.52 6.76 0.12 1.43 3.04 -1.26 -0.04 114.94 127.51 1wbu s ASN 62 Ca 0.42 2.36 -0.06 0.00 0.04 0.00 0.00 52.86 55.62 1wbu s ASN 62 Cb -0.09 -2.58 -0.02 0.00 -1.54 0.00 0.00 41.25 37.02 1wbu s ASN 62 CO 0.28 -0.72 0.16 0.68 -3.04 0.00 0.00 177.10 174.46 1wbu s VAL 63 N 1.51 0.11 0.42 -5.21 -7.23 0.38 -4.90 120.40 105.47 1wbu s VAL 63 Ca 0.67 -1.53 -0.25 0.00 -1.81 0.00 0.00 61.98 59.06 1wbu s VAL 63 Cb -0.37 -1.74 -0.08 0.00 0.56 0.00 0.00 36.38 34.75 1wbu s VAL 63 CO 0.30 -0.51 1.20 0.00 -0.31 0.00 0.00 175.10 175.77 1wbu s ALA 64 N -3.96 3.13 0.69 1.32 0.00 -1.26 -2.56 121.76 119.12 1wbu s ALA 64 Ca 0.15 1.02 -0.11 0.00 0.00 0.00 0.00 51.96 53.01 1wbu s ALA 64 Cb 0.05 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.78 1wbu s ALA 64 CO -0.03 -0.63 1.09 0.00 0.00 0.00 0.00 175.76 176.18 1wbu h LYS 66 N -0.61 0.50 -0.01 0.00 3.64 -1.93 -1.70 116.57 116.47 1wbu h LYS 66 Ca -0.45 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1wbu h LYS 66 Cb 1.24 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1wbu h LYS 66 CO 0.63 0.33 0.00 0.27 -2.27 0.00 0.00 179.45 178.41 1wbu n ASN 67 N -4.48 0.28 0.00 4.20 0.23 -1.26 -4.89 115.26 109.34 1wbu n ASN 67 Ca 0.03 -1.14 0.00 0.00 -0.53 0.00 0.00 54.58 52.94 1wbu n ASN 67 Cb 0.06 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 1wbu n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wbu n GLY 68 N 1.01 0.78 3.67 4.83 0.00 -0.64 -5.06 105.19 109.78 1wbu n GLY 68 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1wbu n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wbu s GLN 69 N -0.75 0.97 -0.20 1.61 -0.21 -1.26 -4.78 119.66 115.04 1wbu s GLN 69 Ca 0.00 1.31 0.15 0.00 0.02 0.00 0.00 55.36 56.83 1wbu s GLN 69 Cb 0.00 -1.74 0.43 0.00 1.00 0.00 0.00 33.01 32.70 1wbu s GLN 69 CO 0.00 -2.58 1.32 0.25 -2.12 0.00 0.00 175.29 172.15 1wbu n THR 70 N -4.18 2.22 -1.33 -0.19 -2.24 -1.26 -1.01 114.28 106.28 1wbu n THR 70 Ca 0.10 -2.41 -0.15 0.00 -2.27 0.00 0.00 64.05 59.31 1wbu n THR 70 Cb 0.53 -0.26 0.19 0.00 -2.10 0.00 0.00 70.33 68.68 1wbu n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1wbu n ASN 71 N -1.04 3.17 -4.93 3.42 6.94 -1.26 -4.72 115.26 116.84 1wbu n ASN 71 Ca 0.22 -3.69 -0.27 0.00 -0.02 0.00 0.00 54.58 50.82 1wbu n ASN 71 Cb 0.82 -0.75 -0.03 0.00 -2.36 0.00 0.00 39.78 37.46 1wbu n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wbu s TYR 73 N -1.79 -0.01 -0.14 0.00 1.51 0.26 -0.47 117.35 116.70 1wbu s TYR 73 Ca 0.36 0.16 -0.13 0.00 -1.01 0.00 0.00 57.07 56.45 1wbu s TYR 73 Cb -0.11 -0.15 -0.05 0.00 -0.11 0.00 0.00 41.96 41.55 1wbu s TYR 73 CO 0.29 -0.08 0.27 -1.14 -1.11 0.00 0.00 175.55 173.78 1wbu s GLN 74 N 0.78 4.11 0.29 -0.62 0.74 0.94 -1.59 119.66 124.30 1wbu s GLN 74 Ca -0.06 0.08 -0.30 0.00 0.05 0.00 0.00 55.36 55.13 1wbu s GLN 74 Cb -0.09 -3.37 -0.11 0.00 1.10 0.00 0.00 33.01 30.54 1wbu s GLN 74 CO -0.02 0.37 1.57 -1.54 -0.55 0.00 0.00 175.29 175.11 1wbu s SER 75 N 0.09 6.41 0.24 6.67 1.04 -0.02 -2.24 113.70 125.88 1wbu s SER 75 Ca 0.16 2.91 -0.06 0.00 0.48 0.00 0.00 55.95 59.45 1wbu s SER 75 Cb -0.13 -2.63 0.24 0.00 0.10 0.00 0.00 66.02 63.59 1wbu s SER 75 CO 0.05 -0.89 1.86 1.88 0.98 0.00 0.00 173.24 177.11 1wbu h TYR 76 N 4.88 1.20 -2.56 5.02 0.05 -1.94 -3.43 116.97 120.20 1wbu h TYR 76 Ca -0.47 -0.04 -0.51 0.00 0.05 0.00 0.00 58.73 57.77 1wbu h TYR 76 Cb 1.22 -0.38 -0.01 0.00 1.01 0.00 0.00 36.73 38.56 1wbu h TYR 76 CO 0.59 0.84 -0.38 -1.12 -1.05 0.00 0.00 178.16 177.04 1wbu s SER 77 N -6.28 6.34 0.57 3.88 0.01 -1.26 -5.02 113.70 111.94 1wbu s SER 77 Ca -0.12 0.25 -0.18 0.00 1.31 0.00 0.00 55.95 57.20 1wbu s SER 77 Cb 0.17 -1.94 -0.05 0.00 0.21 0.00 0.00 66.02 64.41 1wbu s SER 77 CO 0.83 -0.06 1.10 0.42 0.41 0.00 0.00 173.24 175.94 1wbu s THR 78 N -1.93 3.38 0.07 1.44 -4.23 -1.26 -4.35 115.64 108.75 1wbu s THR 78 Ca 0.36 0.77 0.05 0.00 -1.18 0.00 0.00 61.69 61.70 1wbu s THR 78 Cb -0.10 -3.28 -0.03 0.00 1.34 0.00 0.00 72.50 70.43 1wbu s THR 78 CO 0.30 -0.27 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.92 1wbu s MET 79 N -3.59 0.85 -0.04 3.99 -1.94 0.37 -4.85 119.30 114.10 1wbu s MET 79 Ca 0.69 -0.93 -0.30 0.00 -1.71 0.00 0.00 55.69 53.44 1wbu s MET 79 Cb -0.21 -0.88 -0.05 0.00 2.01 0.00 0.00 34.83 35.70 1wbu s MET 79 CO 0.31 0.20 1.57 0.45 -0.01 0.00 0.00 175.02 177.54 1wbu s SER 80 N -1.64 6.72 0.16 3.03 0.15 -1.26 -1.66 113.70 119.20 1wbu s SER 80 Ca -0.01 2.19 0.01 0.00 0.70 0.00 0.00 55.95 58.84 1wbu s SER 80 Cb -0.10 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 1wbu s SER 80 CO 0.02 -0.87 0.01 0.27 1.20 0.00 0.00 173.24 173.87 1wbu s ILE 81 N 3.53 0.53 -0.13 6.45 -4.36 0.23 -1.58 121.20 125.87 1wbu s ILE 81 Ca 0.70 -1.96 0.00 0.00 -0.26 0.00 0.00 60.65 59.14 1wbu s ILE 81 Cb -0.33 -2.07 0.02 0.00 1.25 0.00 0.00 42.46 41.33 1wbu s ILE 81 CO 0.28 -0.50 -0.13 -0.89 0.24 0.00 0.00 174.94 173.94 1wbu s THR 82 N -3.76 1.44 -0.24 8.37 2.01 0.14 -0.51 115.64 123.10 1wbu s THR 82 Ca 0.23 -0.56 -0.21 0.00 0.31 0.00 0.00 61.69 61.46 1wbu s THR 82 Cb 0.06 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 1wbu s THR 82 CO 0.03 0.44 0.65 -1.81 -0.69 0.00 0.00 174.62 173.23 1wbu s ASP 83 N 1.43 6.63 -0.26 3.53 1.01 0.20 -1.00 116.67 128.21 1wbu s ASP 83 Ca 0.03 0.78 -0.11 0.00 0.71 0.00 0.00 52.55 53.95 1wbu s ASP 83 Cb -0.13 -2.35 -0.05 0.00 1.01 0.00 0.00 42.92 41.40 1wbu s ASP 83 CO -0.08 -0.35 0.19 0.00 0.21 0.00 0.00 175.17 175.13 1wbu s ARG 85 N 1.45 1.08 0.27 0.00 3.52 -1.06 -1.08 118.95 123.12 1wbu s ARG 85 Ca 0.08 -0.11 -0.29 0.00 -0.13 0.00 0.00 55.73 55.27 1wbu s ARG 85 Cb -0.15 -1.20 -0.14 0.00 -1.56 0.00 0.00 34.95 31.90 1wbu s ARG 85 CO 0.08 -0.21 1.15 -1.91 -0.81 0.00 0.00 175.30 173.60 1wbu n GLU 86 N 4.73 1.57 -1.24 5.12 2.13 0.57 -1.61 120.64 131.91 1wbu n GLU 86 Ca -0.14 0.55 -0.30 0.00 0.66 0.00 0.00 57.16 57.94 1wbu n GLU 86 Cb 0.50 -2.03 0.13 0.00 0.27 0.00 0.00 31.44 30.31 1wbu n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1wbu s THR 87 N -0.75 2.74 0.17 6.31 -4.23 -0.05 -4.80 115.64 115.03 1wbu s THR 87 Ca 0.62 0.24 0.29 0.00 -1.18 0.00 0.00 61.69 61.66 1wbu s THR 87 Cb -0.69 -2.75 0.31 0.00 1.34 0.00 0.00 72.50 70.71 1wbu s THR 87 CO 0.57 -0.32 1.94 1.23 -0.54 0.00 0.00 174.62 177.51 1wbu h GLY 88 N -1.48 0.00 -2.26 3.99 0.00 -1.93 -2.94 103.07 98.46 1wbu h GLY 88 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1wbu h GLY 88 CO 0.55 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.95 1wbu n SER 89 N -3.29 3.39 -4.75 0.19 3.41 -1.26 -4.95 113.62 106.35 1wbu n SER 89 Ca -0.00 -1.98 -0.41 0.00 -0.26 0.00 0.00 58.87 56.23 1wbu n SER 89 Cb 0.34 -0.28 -0.04 0.00 -0.26 0.00 0.00 64.21 63.97 1wbu n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wbu s SER 90 N -1.40 7.14 -0.14 4.04 0.15 -1.11 -4.98 113.70 117.40 1wbu s SER 90 Ca 0.40 2.31 -0.05 0.00 0.70 0.00 0.00 55.95 59.31 1wbu s SER 90 Cb 0.23 -2.62 0.07 0.00 -1.71 0.00 0.00 66.02 61.99 1wbu s SER 90 CO 0.31 -0.27 0.28 -0.75 1.20 0.00 0.00 173.24 174.01 1wbu s LYS 91 N -1.05 0.17 0.25 5.44 2.47 -1.19 -4.93 119.74 120.91 1wbu s LYS 91 Ca 0.48 0.77 -0.28 0.00 -1.56 0.00 0.00 55.97 55.38 1wbu s LYS 91 Cb -0.33 -0.03 -0.15 0.00 -1.46 0.00 0.00 37.83 35.85 1wbu s LYS 91 CO 0.41 -0.30 0.78 0.98 0.16 0.00 0.00 175.35 177.38 1wbu n TYR 92 N 5.36 0.44 1.23 4.03 9.36 -1.26 -0.15 117.16 136.17 1wbu n TYR 92 Ca -0.06 0.83 0.07 0.00 3.32 0.00 0.00 57.90 62.06 1wbu n TYR 92 Cb 0.50 -2.11 0.24 0.00 -0.63 0.00 0.00 39.34 37.34 1wbu n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1wbu n PRO 93 N 0.85 1.61 -3.20 2.98 -0.04 -1.26 -4.96 135.00 130.98 1wbu n PRO 93 Ca 0.14 -0.94 -0.44 0.00 -0.04 0.00 0.00 63.50 62.21 1wbu n PRO 93 Cb 0.29 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1wbu n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wbu n ASN 94 N 0.21 5.71 -4.72 3.54 4.13 0.79 -5.03 115.26 119.90 1wbu n ASN 94 Ca 0.12 -3.13 -0.42 0.00 1.68 0.00 0.00 54.58 52.83 1wbu n ASN 94 Cb 0.25 -1.37 -0.03 0.00 -1.54 0.00 0.00 39.78 37.09 1wbu n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wbu s ALA 96 N 0.89 1.52 0.00 0.00 0.00 -1.26 -4.96 121.76 117.95 1wbu s ALA 96 Ca 0.62 -0.64 0.06 0.00 0.00 0.00 0.00 51.96 51.99 1wbu s ALA 96 Cb -0.35 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 1wbu s ALA 96 CO 0.32 0.23 -0.18 0.71 0.00 0.00 0.00 175.76 176.84 1wbu s TYR 97 N 0.26 1.59 0.01 0.00 1.51 -1.26 -0.87 117.35 118.58 1wbu s TYR 97 Ca -0.09 -0.32 -0.26 0.00 -1.01 0.00 0.00 57.07 55.39 1wbu s TYR 97 Cb -0.14 -1.00 -0.04 0.00 -0.11 0.00 0.00 41.96 40.67 1wbu s TYR 97 CO 0.03 0.00 0.80 0.21 -1.11 0.00 0.00 175.55 175.49 1wbu s LYS 98 N -0.62 4.51 -0.21 -0.62 2.47 -0.64 -4.63 119.74 119.99 1wbu s LYS 98 Ca 0.06 1.11 -0.13 0.00 -1.56 0.00 0.00 55.97 55.45 1wbu s LYS 98 Cb -0.07 -3.41 -0.04 0.00 -1.46 0.00 0.00 37.83 32.84 1wbu s LYS 98 CO -0.00 0.14 0.28 0.99 0.16 0.00 0.00 175.35 176.92 1wbu s THR 99 N 0.42 5.28 -0.15 3.43 2.01 -1.26 -2.56 115.64 122.81 1wbu s THR 99 Ca 0.42 0.45 0.00 0.00 0.31 0.00 0.00 61.69 62.86 1wbu s THR 99 Cb -0.20 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 68.73 1wbu s THR 99 CO 0.23 0.31 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.46 1wbu s THR 100 N 1.10 1.48 0.38 -0.82 2.01 -0.61 -4.97 115.64 114.20 1wbu s THR 100 Ca 0.13 -0.65 -0.26 0.00 0.31 0.00 0.00 61.69 61.22 1wbu s THR 100 Cb -0.14 -1.44 -0.09 0.00 0.01 0.00 0.00 72.50 70.84 1wbu s THR 100 CO 0.06 0.37 1.18 -1.10 -0.69 0.00 0.00 174.62 174.44 1wbu s GLN 101 N 1.51 4.15 0.17 4.92 -0.21 -1.26 -0.63 119.66 128.31 1wbu s GLN 101 Ca 0.04 1.89 -0.13 0.00 0.02 0.00 0.00 55.36 57.17 1wbu s GLN 101 Cb -0.13 -2.78 0.01 0.00 1.00 0.00 0.00 33.01 31.11 1wbu s GLN 101 CO -0.10 -0.26 0.39 0.00 -2.12 0.00 0.00 175.29 173.21 1wbu s ALA 102 N -1.35 -0.48 -0.27 6.09 0.00 0.34 -4.91 121.76 121.18 1wbu s ALA 102 Ca 0.55 -0.53 -0.02 0.00 0.00 0.00 0.00 51.96 51.96 1wbu s ALA 102 Cb -0.32 0.83 0.09 0.00 0.00 0.00 0.00 23.12 23.71 1wbu s ALA 102 CO 0.41 -0.71 0.08 -0.80 0.00 0.00 0.00 175.76 174.73 1wbu s ASN 103 N -2.91 3.59 0.13 0.00 0.01 -1.26 -0.60 114.94 113.90 1wbu s ASN 103 Ca 0.12 -1.31 -0.05 0.00 -0.71 0.00 0.00 52.86 50.91 1wbu s ASN 103 Cb 0.01 -0.72 -0.02 0.00 0.41 0.00 0.00 41.25 40.94 1wbu s ASN 103 CO -0.02 -0.38 0.16 -0.54 -1.51 0.00 0.00 177.10 174.81 1wbu s LYS 104 N 1.76 0.96 0.26 -0.60 1.02 -0.66 -4.75 119.74 117.72 1wbu s LYS 104 Ca 0.06 -1.22 -0.29 0.00 0.02 0.00 0.00 55.97 54.53 1wbu s LYS 104 Cb -0.17 0.31 -0.09 0.00 -0.52 0.00 0.00 37.83 37.35 1wbu s LYS 104 CO -0.20 -0.31 1.25 -1.01 -0.92 0.00 0.00 175.35 174.16 1wbu s HIS 105 N -3.97 3.28 0.06 3.18 3.76 0.11 -0.48 115.29 121.24 1wbu s HIS 105 Ca 0.16 1.42 0.01 0.00 -0.15 0.00 0.00 55.06 56.49 1wbu s HIS 105 Cb 0.05 -3.54 -0.04 0.00 1.11 0.00 0.00 32.58 30.17 1wbu s HIS 105 CO -0.03 -1.49 0.17 0.96 -0.85 0.00 0.00 174.74 173.50 1wbu s ILE 106 N -0.62 5.16 -0.15 0.60 -4.36 -1.26 -0.06 121.20 120.51 1wbu s ILE 106 Ca 0.51 -0.48 0.01 0.00 -0.26 0.00 0.00 60.65 60.43 1wbu s ILE 106 Cb -0.36 -3.51 0.02 0.00 1.25 0.00 0.00 42.46 39.86 1wbu s ILE 106 CO 0.44 0.14 -0.18 -0.63 0.24 0.00 0.00 174.94 174.95 1wbu s ILE 107 N -1.47 1.82 0.08 8.37 1.01 0.15 -0.84 121.20 130.32 1wbu s ILE 107 Ca 0.33 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 60.23 1wbu s ILE 107 Cb -0.13 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 1wbu s ILE 107 CO 0.26 0.50 -0.14 0.68 0.00 0.00 0.00 174.94 176.24 1wbu s VAL 108 N 1.19 1.18 0.04 2.92 -7.23 -0.62 0.07 120.40 117.96 1wbu s VAL 108 Ca 0.00 -1.40 -0.22 0.00 -1.81 0.00 0.00 61.98 58.55 1wbu s VAL 108 Cb -0.14 -1.19 -0.06 0.00 0.56 0.00 0.00 36.38 35.55 1wbu s VAL 108 CO -0.08 -0.26 0.65 0.00 -0.31 0.00 0.00 175.10 175.11 1wbu s ALA 109 N -1.45 3.48 0.07 1.32 0.00 0.04 -0.58 121.76 124.64 1wbu s ALA 109 Ca 0.01 0.13 0.09 0.00 0.00 0.00 0.00 51.96 52.19 1wbu s ALA 109 Cb -0.09 -2.80 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 1wbu s ALA 109 CO 0.02 0.21 -0.23 0.00 0.00 0.00 0.00 175.76 175.76 1wbu s GLU 111 N -1.57 0.69 0.00 0.00 2.12 -0.61 -4.88 118.70 114.45 1wbu s GLU 111 Ca 0.14 0.50 0.00 0.00 0.36 0.00 0.00 54.97 55.96 1wbu s GLU 111 Cb -0.10 0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.62 1wbu s GLU 111 CO 0.05 -0.15 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 1wbu n GLY 112 N 1.68 -4.14 2.86 -1.50 0.00 -1.26 -2.86 105.19 99.97 1wbu n GLY 112 Ca -0.13 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.48 1wbu n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wbu s ASN 113 N -0.35 3.36 0.83 1.61 3.04 -1.26 -1.97 114.94 120.20 1wbu s ASN 113 Ca 0.00 -0.97 -0.11 0.00 0.04 0.00 0.00 52.86 51.82 1wbu s ASN 113 Cb 0.00 -0.92 0.09 0.00 -1.54 0.00 0.00 41.25 38.88 1wbu s ASN 113 CO 0.00 -0.26 1.10 -2.16 -3.04 0.00 0.00 177.10 172.75 1wbu s PRO 114 N 1.60 1.80 -0.75 0.43 0.04 -1.26 -5.08 135.00 131.78 1wbu s PRO 114 Ca -0.03 1.22 -0.22 0.00 0.04 0.00 0.00 61.00 62.01 1wbu s PRO 114 Cb -0.18 -1.84 0.08 0.00 0.04 0.00 0.00 34.50 32.60 1wbu s PRO 114 CO -0.07 -1.98 1.04 -0.47 0.04 0.00 0.00 177.00 175.56 1wbu s TYR 115 N -2.84 2.75 0.24 0.56 5.04 -0.83 -4.86 117.35 117.41 1wbu s TYR 115 Ca 0.63 -0.75 0.02 0.00 -2.44 0.00 0.00 57.07 54.53 1wbu s TYR 115 Cb -0.19 -4.33 -0.05 0.00 0.35 0.00 0.00 41.96 37.74 1wbu s TYR 115 CO 0.57 -1.65 0.05 0.14 -1.34 0.00 0.00 175.55 173.32 1wbu s VAL 116 N 3.86 0.73 0.28 3.14 -7.23 -1.14 -4.80 120.40 115.25 1wbu s VAL 116 Ca 0.26 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.14 1wbu s VAL 116 Cb -0.13 -2.46 -0.10 0.00 0.56 0.00 0.00 36.38 34.24 1wbu s VAL 116 CO 0.05 -0.18 1.43 -2.84 -0.31 0.00 0.00 175.10 173.24 1wbu s PRO 117 N -3.96 4.26 0.00 4.82 0.02 -1.26 -1.58 135.00 137.30 1wbu s PRO 117 Ca 0.32 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.68 1wbu s PRO 117 Cb 0.07 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.51 1wbu s PRO 117 CO 0.10 -0.40 0.15 1.33 -0.33 0.00 0.00 177.00 177.85 1wbu n VAL 118 N 1.80 0.00 -3.70 3.83 0.24 0.16 -4.40 118.33 116.25 1wbu n VAL 118 Ca 0.05 -0.34 -0.14 0.00 -2.04 0.00 0.00 64.34 61.87 1wbu n VAL 118 Cb 0.40 1.14 -0.09 0.00 -1.47 0.00 0.00 33.84 33.82 1wbu n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1wbu s HIS 119 N -0.39 -0.52 -0.34 6.34 3.76 -1.17 -4.65 115.29 118.32 1wbu s HIS 119 Ca 0.00 1.25 -0.18 0.00 -0.15 0.00 0.00 55.06 55.98 1wbu s HIS 119 Cb 0.00 0.19 -0.00 0.00 1.11 0.00 0.00 32.58 33.87 1wbu s HIS 119 CO 0.00 -0.28 0.53 0.12 -0.85 0.00 0.00 174.74 174.26 1wbu s PHE 120 N 0.10 3.18 -0.18 1.40 5.36 -1.26 -0.78 117.98 125.79 1wbu s PHE 120 Ca -0.01 0.25 -0.17 0.00 -0.96 0.00 0.00 56.93 56.03 1wbu s PHE 120 Cb -0.03 -2.94 -0.21 0.00 -0.34 0.00 0.00 43.02 39.49 1wbu s PHE 120 CO 0.01 -0.53 0.25 -3.47 -1.46 0.00 0.00 175.22 170.02 1wbu n ASP 121 N 5.78 1.94 -3.63 6.13 2.03 0.11 -4.97 116.55 123.94 1wbu n ASP 121 Ca -0.04 0.36 -0.02 0.00 0.52 0.00 0.00 54.79 55.61 1wbu n ASP 121 Cb 0.49 -0.94 -0.01 0.00 -0.72 0.00 0.00 41.12 39.94 1wbu n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wbu s ALA 122 N -2.42 -2.04 0.03 -1.67 0.00 -1.01 -4.96 121.76 109.68 1wbu s ALA 122 Ca -0.27 0.84 0.06 0.00 0.00 0.00 0.00 51.96 52.59 1wbu s ALA 122 Cb 0.06 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 1wbu s ALA 122 CO 0.64 -0.90 -0.16 -1.54 0.00 0.00 0.00 175.76 173.80 1wbu s SER 123 N -2.72 3.90 0.00 0.00 1.04 -1.26 0.32 113.70 114.98 1wbu s SER 123 Ca 0.12 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1wbu s SER 123 Cb 0.02 -0.69 0.00 0.00 0.10 0.00 0.00 66.02 65.45 1wbu s SER 123 CO -0.03 0.27 0.11 0.52 0.98 0.00 0.00 173.24 175.09