#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wib s SER -5 N 0.00 6.29 -0.14 1.61 1.04 -1.26 -5.06 113.70 116.18 1wib s SER -5 Ca 0.00 0.33 -0.06 0.00 0.48 0.00 0.00 55.95 56.70 1wib s SER -5 Cb 0.00 -2.19 0.06 0.00 0.10 0.00 0.00 66.02 64.00 1wib s SER -5 CO 0.00 -0.06 0.29 -0.55 0.98 0.00 0.00 173.24 173.91 1wib s SER -4 N 1.20 0.04 0.00 7.02 0.15 -1.26 -4.80 113.70 116.06 1wib s SER -4 Ca 0.14 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.45 1wib s SER -4 Cb -0.15 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 1wib s SER -4 CO 0.07 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1wib n GLY -3 N 4.99 2.80 3.26 9.45 0.00 -1.26 -5.03 105.19 119.39 1wib n GLY -3 Ca -0.13 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1wib n GLY -3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wib n SER -2 N 0.51 -3.01 -3.45 1.61 2.88 -1.26 -4.68 113.62 106.22 1wib n SER -2 Ca 0.00 0.15 -0.45 0.00 -1.33 0.00 0.00 58.87 57.24 1wib n SER -2 Cb 0.00 -0.98 -0.06 0.00 -0.75 0.00 0.00 64.21 62.42 1wib n SER -2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wib n SER -1 N -0.01 -0.04 -0.64 -3.46 7.64 -1.26 -4.50 113.62 111.35 1wib n SER -1 Ca 0.03 0.89 0.06 0.00 1.01 0.00 0.00 58.87 60.86 1wib n SER -1 Cb 0.59 -0.71 -0.03 0.00 -1.01 0.00 0.00 64.21 63.05 1wib n SER -1 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wib n GLY 1 N 1.16 -3.04 3.77 0.23 0.00 -1.26 -4.91 105.19 101.15 1wib n GLY 1 Ca 0.15 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 1wib n GLY 1 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wib s PRO 2 N -3.78 3.60 0.82 1.61 0.04 -1.26 -4.73 135.00 131.30 1wib s PRO 2 Ca 0.00 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 62.64 1wib s PRO 2 Cb 0.00 -2.25 0.09 0.00 0.04 0.00 0.00 34.50 32.38 1wib s PRO 2 CO 0.00 -0.67 1.09 -1.25 0.04 0.00 0.00 177.00 176.21 1wib s PRO 3 N -2.93 1.86 -0.40 0.56 0.04 -1.26 -4.93 135.00 127.93 1wib s PRO 3 Ca 0.67 1.03 -0.28 0.00 0.04 0.00 0.00 61.00 62.46 1wib s PRO 3 Cb -0.27 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1wib s PRO 3 CO 0.31 -1.88 1.72 0.15 0.04 0.00 0.00 177.00 177.35 1wib s LYS 4 N -4.92 3.25 0.77 4.56 3.01 -1.26 -4.98 119.74 120.17 1wib s LYS 4 Ca 0.62 1.16 -0.11 0.00 -1.01 0.00 0.00 55.97 56.63 1wib s LYS 4 Cb -0.17 -4.20 0.05 0.00 -1.01 0.00 0.00 37.83 32.50 1wib s LYS 4 CO 0.56 -1.96 1.09 -0.06 0.51 0.00 0.00 175.35 175.49 1wib s PHE 5 N 6.99 2.86 -0.77 3.18 0.40 -1.26 -5.02 117.98 124.36 1wib s PHE 5 Ca 0.73 1.26 0.02 0.00 -0.60 0.00 0.00 56.93 58.35 1wib s PHE 5 Cb -0.19 -3.05 0.19 0.00 0.51 0.00 0.00 43.02 40.48 1wib s PHE 5 CO 0.31 -1.66 0.59 0.16 0.70 0.00 0.00 175.22 175.32 1wib s ASP 6 N -3.81 5.27 0.40 1.36 -4.77 -1.26 -4.89 116.67 108.96 1wib s ASP 6 Ca 0.60 -3.77 0.28 0.00 -3.30 0.00 0.00 52.55 46.37 1wib s ASP 6 Cb -0.15 -1.74 1.19 0.00 -1.09 0.00 0.00 42.92 41.12 1wib s ASP 6 CO 0.55 -0.13 1.85 1.55 0.70 0.00 0.00 175.17 179.68 1wib h PRO 7 N 5.69 0.00 0.00 2.11 0.13 -2.04 -3.30 132.00 134.59 1wib h PRO 7 Ca 0.14 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.16 1wib h PRO 7 Cb 0.78 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 1wib h PRO 7 CO 0.77 0.00 -1.22 0.09 -0.23 0.00 0.00 178.00 177.41 1wib n ASN 8 N -2.63 1.91 -4.53 1.44 4.13 -1.26 -4.84 115.26 109.47 1wib n ASN 8 Ca 0.01 0.41 -0.31 0.00 1.68 0.00 0.00 54.58 56.38 1wib n ASN 8 Cb 0.26 -0.80 -0.12 0.00 -1.54 0.00 0.00 39.78 37.58 1wib n ASN 8 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1wib n GLU 9 N -4.45 0.41 -4.23 3.52 2.13 -1.24 -4.87 120.64 111.90 1wib n GLU 9 Ca -0.22 -0.16 -0.17 0.00 0.66 0.00 0.00 57.16 57.27 1wib n GLU 9 Cb 0.55 -2.39 -0.14 0.00 0.27 0.00 0.00 31.44 29.72 1wib n GLU 9 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1wib s VAL 10 N 9.31 0.57 -0.02 6.31 1.01 -1.26 -4.95 120.40 131.37 1wib s VAL 10 Ca 1.16 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.74 1wib s VAL 10 Cb -0.64 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.23 1wib s VAL 10 CO 0.36 0.08 -0.07 -0.75 0.00 0.00 0.00 175.10 174.73 1wib s LYS 11 N -0.37 0.71 0.03 2.72 2.47 -1.26 -5.12 119.74 118.91 1wib s LYS 11 Ca 0.01 -0.23 0.09 0.00 -1.56 0.00 0.00 55.97 54.28 1wib s LYS 11 Cb -0.04 -0.69 -0.03 0.00 -1.46 0.00 0.00 37.83 35.62 1wib s LYS 11 CO -0.00 0.09 -0.26 0.08 0.16 0.00 0.00 175.35 175.42 1wib s VAL 12 N 0.16 2.10 -0.07 4.02 1.01 -1.26 -3.48 120.40 122.87 1wib s VAL 12 Ca -0.02 -1.33 0.04 0.00 0.00 0.00 0.00 61.98 60.68 1wib s VAL 12 Cb -0.07 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.53 1wib s VAL 12 CO -0.00 0.40 -0.19 -0.69 0.00 0.00 0.00 175.10 174.61 1wib s VAL 13 N -0.77 1.67 -0.03 2.92 1.01 -0.43 -5.00 120.40 119.77 1wib s VAL 13 Ca 0.11 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1wib s VAL 13 Cb -0.10 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 1wib s VAL 13 CO 0.01 0.47 -0.05 -0.31 0.00 0.00 0.00 175.10 175.22 1wib s TYR 14 N 0.26 2.95 0.04 5.22 1.51 -1.26 -2.35 117.35 123.71 1wib s TYR 14 Ca -0.11 0.01 -0.09 0.00 -1.01 0.00 0.00 57.07 55.87 1wib s TYR 14 Cb -0.15 -1.66 0.00 0.00 -0.11 0.00 0.00 41.96 40.04 1wib s TYR 14 CO 0.05 0.38 0.17 -0.51 -1.11 0.00 0.00 175.55 174.53 1wib s LEU 15 N -1.21 1.46 -0.16 -1.29 1.02 -1.20 -5.04 118.68 112.25 1wib s LEU 15 Ca 0.16 -0.38 -0.00 0.00 0.02 0.00 0.00 54.13 53.92 1wib s LEU 15 Cb -0.11 0.87 -0.01 0.00 0.02 0.00 0.00 46.19 46.96 1wib s LEU 15 CO 0.06 -0.53 -0.13 0.00 0.02 0.00 0.00 176.35 175.76 1wib s ARG 16 N -2.47 3.28 0.27 1.70 3.03 -1.26 -3.17 118.95 120.32 1wib s ARG 16 Ca -0.06 -0.71 -0.21 0.00 2.03 0.00 0.00 55.73 56.77 1wib s ARG 16 Cb -0.02 -2.68 0.03 0.00 -1.03 0.00 0.00 34.95 31.24 1wib s ARG 16 CO -0.03 0.03 0.71 0.00 -1.13 0.00 0.00 175.30 174.88 1wib s THR 18 N -3.90 4.10 0.69 0.00 2.01 -1.26 -4.20 115.64 113.09 1wib s THR 18 Ca 0.10 1.51 -0.16 0.00 0.31 0.00 0.00 61.69 63.45 1wib s THR 18 Cb -0.05 -3.97 0.02 0.00 0.01 0.00 0.00 72.50 68.50 1wib s THR 18 CO 0.05 0.12 1.22 -0.83 -0.69 0.00 0.00 174.62 174.49 1wib s GLY 19 N 1.04 2.50 -1.76 4.40 0.00 -1.13 -2.97 107.32 109.40 1wib s GLY 19 Ca 0.58 0.95 -0.17 0.00 0.00 0.00 0.00 44.72 46.08 1wib s GLY 19 CO 0.29 1.36 0.53 0.61 0.00 0.00 0.00 173.10 175.89 1wib n GLY 20 N 0.47 -0.35 3.69 0.20 0.00 -1.17 -0.93 105.19 107.09 1wib n GLY 20 Ca 0.14 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1wib n GLY 20 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wib s GLU 21 N -7.16 4.35 -0.19 1.61 1.03 -1.16 -4.67 118.70 112.52 1wib s GLU 21 Ca 0.63 1.75 -0.13 0.00 0.03 0.00 0.00 54.97 57.26 1wib s GLU 21 Cb -0.36 -3.52 -0.21 0.00 -0.80 0.00 0.00 34.13 29.24 1wib s GLU 21 CO 0.99 -0.44 0.15 1.55 -1.33 0.00 0.00 175.26 176.19 1wib n VAL 22 N 4.49 1.62 -1.08 1.83 3.14 -1.26 -4.93 118.33 122.14 1wib n VAL 22 Ca 0.11 -0.36 -0.39 0.00 -2.96 0.00 0.00 64.34 60.74 1wib n VAL 22 Cb 0.46 -1.85 -0.04 0.00 -1.06 0.00 0.00 33.84 31.35 1wib n VAL 22 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1wib n GLY 23 N 1.70 -0.94 3.78 7.55 0.00 -1.26 -4.85 105.19 111.16 1wib n GLY 23 Ca -0.36 0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1wib n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wib s ALA 24 N -0.49 2.77 -0.28 4.61 0.00 -1.26 -5.05 121.76 122.06 1wib s ALA 24 Ca 0.55 0.82 -0.23 0.00 0.00 0.00 0.00 51.96 53.11 1wib s ALA 24 Cb -0.79 -3.35 0.12 0.00 0.00 0.00 0.00 23.12 19.10 1wib s ALA 24 CO 0.42 -0.69 0.98 -0.08 0.00 0.00 0.00 175.76 176.40 1wib s THR 25 N -1.75 0.00 -0.63 0.00 -1.32 -1.26 -5.06 115.64 105.62 1wib s THR 25 Ca 0.70 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 61.20 1wib s THR 25 Cb -0.24 -1.00 0.39 0.00 -1.51 0.00 0.00 72.50 70.14 1wib s THR 25 CO 0.28 0.00 1.49 -0.24 -2.21 0.00 0.00 174.62 173.94 1wib n SER 26 N 2.69 5.92 0.08 8.08 2.88 -1.26 -4.64 113.62 127.37 1wib n SER 26 Ca -0.14 -3.77 0.10 0.00 -1.33 0.00 0.00 58.87 53.73 1wib n SER 26 Cb 0.56 -0.73 -0.03 0.00 -0.75 0.00 0.00 64.21 63.26 1wib n SER 26 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wib n ALA 27 N -0.48 2.47 0.28 -1.46 0.00 -1.26 -3.98 120.51 116.07 1wib n ALA 27 Ca 0.45 -0.30 0.11 0.00 0.00 0.00 0.00 53.44 53.70 1wib n ALA 27 Cb 0.46 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.81 1wib n ALA 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wib n LEU 28 N -2.67 0.51 0.05 0.00 4.77 -1.26 -4.13 117.00 114.27 1wib n LEU 28 Ca -0.02 0.07 -0.14 0.00 -0.03 0.00 0.00 56.01 55.89 1wib n LEU 28 Cb 0.59 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 1wib n LEU 28 CO 0.41 -0.03 0.58 0.00 -1.33 0.00 0.00 177.39 177.02 1wib h ALA 29 N 2.24 -0.69 0.00 -1.18 0.00 -1.90 0.11 119.26 117.85 1wib h ALA 29 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1wib h ALA 29 Cb 0.88 0.77 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1wib h ALA 29 CO 0.00 -0.97 -0.35 -1.00 0.00 0.00 0.00 179.25 176.93 1wib h PRO 30 N -0.58 0.00 -0.17 0.00 0.13 -1.79 0.10 132.00 129.69 1wib h PRO 30 Ca 0.05 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.13 1wib h PRO 30 Cb 0.66 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.78 1wib h PRO 30 CO -0.33 0.35 -0.08 0.87 -0.23 0.00 0.00 178.00 178.58 1wib h LYS 31 N 0.00 0.35 0.00 0.86 1.79 -1.51 -3.14 116.57 114.91 1wib h LYS 31 Ca -0.00 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1wib h LYS 31 Cb 0.76 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1wib h LYS 31 CO 0.05 0.66 -0.51 0.82 -1.08 0.00 0.00 179.45 179.38 1wib h ILE 32 N 0.03 0.00 -0.87 1.86 2.04 -0.76 -3.39 117.51 116.42 1wib h ILE 32 Ca 0.04 -0.52 0.08 0.00 1.00 0.00 0.00 64.86 65.47 1wib h ILE 32 Cb 0.55 1.18 -0.11 0.00 -0.74 0.00 0.00 36.82 37.69 1wib h ILE 32 CO 0.02 0.00 -0.57 1.23 0.00 0.00 0.00 178.15 178.83 1wib h GLY 33 N 4.48 -0.83 1.88 5.37 0.00 -0.74 0.82 103.07 114.05 1wib h GLY 33 Ca 0.00 0.77 -0.11 0.00 0.00 0.00 0.00 47.33 47.99 1wib h GLY 33 CO 0.00 0.00 -0.47 -0.56 0.00 0.00 0.00 176.54 175.51 1wib h PRO 34 N -0.08 0.13 0.67 4.80 0.13 -1.75 -3.27 132.00 132.63 1wib h PRO 34 Ca 0.15 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 65.19 1wib h PRO 34 Cb 0.46 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 1wib h PRO 34 CO -0.87 0.58 -0.49 -0.07 -0.23 0.00 0.00 178.00 176.92 1wib h LEU 35 N 0.11 -1.28 0.00 1.56 4.07 -1.09 -3.48 115.31 115.20 1wib h LEU 35 Ca 0.00 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1wib h LEU 35 Cb 0.88 0.39 0.00 0.00 1.08 0.00 0.00 40.66 43.01 1wib h LEU 35 CO 0.07 -0.71 0.00 0.61 -1.08 0.00 0.00 178.44 177.33 1wib n GLY 36 N -1.60 3.64 1.77 0.83 0.00 -0.35 -5.04 105.19 104.44 1wib n GLY 36 Ca -0.14 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 1wib n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wib n LEU 37 N 0.00 0.00 -4.52 0.99 4.32 -1.26 -4.98 117.00 111.55 1wib n LEU 37 Ca 0.00 -0.38 -0.32 0.00 -0.02 0.00 0.00 56.01 55.29 1wib n LEU 37 Cb 0.00 -0.50 -0.12 0.00 -1.62 0.00 0.00 43.42 41.18 1wib n LEU 37 CO 0.00 -2.11 -0.44 -0.44 -1.22 0.00 0.00 177.39 173.18 1wib s SER 38 N -2.23 4.18 0.49 -1.43 0.01 -1.26 -4.76 113.70 108.69 1wib s SER 38 Ca 0.29 -0.27 0.27 0.00 1.31 0.00 0.00 55.95 57.56 1wib s SER 38 Cb -0.05 -0.85 1.16 0.00 0.21 0.00 0.00 66.02 66.49 1wib s SER 38 CO 0.25 0.28 1.92 1.55 0.41 0.00 0.00 173.24 177.65 1wib h PRO 39 N 4.67 0.00 0.22 12.44 0.13 -1.92 -2.96 132.00 144.57 1wib h PRO 39 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1wib h PRO 39 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1wib h PRO 39 CO 0.51 0.15 -0.11 0.87 -0.23 0.00 0.00 178.00 179.19 1wib h LYS 40 N 0.00 -0.29 -0.31 0.86 6.56 -1.97 0.58 116.57 122.01 1wib h LYS 40 Ca -0.00 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1wib h LYS 40 Cb 0.60 0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.31 1wib h LYS 40 CO 0.02 0.06 0.20 -0.22 -2.06 0.00 0.00 179.45 177.45 1wib h LYS 41 N -0.69 0.40 -0.35 3.15 3.64 -1.99 0.84 116.57 121.58 1wib h LYS 41 Ca -0.03 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 1wib h LYS 41 Cb 0.48 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1wib h LYS 41 CO 0.05 0.27 -0.24 0.28 -2.27 0.00 0.00 179.45 177.54 1wib h VAL 42 N 0.42 1.29 -0.80 2.00 2.07 -1.57 -2.60 116.25 117.05 1wib h VAL 42 Ca 0.11 -1.39 -0.04 0.00 0.82 0.00 0.00 66.70 66.20 1wib h VAL 42 Cb -0.04 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1wib h VAL 42 CO -0.03 0.46 0.33 1.23 0.02 0.00 0.00 177.57 179.58 1wib h GLY 43 N 0.57 1.28 0.93 2.17 0.00 0.40 -2.45 103.07 105.97 1wib h GLY 43 Ca 0.07 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 1wib h GLY 43 CO 0.07 0.65 0.08 -1.80 0.00 0.00 0.00 176.54 175.54 1wib h ASP 44 N 1.17 0.61 -0.58 0.19 3.58 -0.80 -2.24 116.42 118.34 1wib h ASP 44 Ca 0.27 -0.25 0.05 0.00 0.42 0.00 0.00 57.03 57.52 1wib h ASP 44 Cb 0.21 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.05 1wib h ASP 44 CO -0.02 0.70 0.32 -0.78 -2.88 0.00 0.00 179.24 176.57 1wib h ASP 45 N 0.49 0.47 -0.31 2.28 3.58 -1.28 -1.42 116.42 120.23 1wib h ASP 45 Ca 0.12 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 1wib h ASP 45 Cb 0.34 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1wib h ASP 45 CO 0.01 0.32 0.17 0.40 -2.88 0.00 0.00 179.24 177.26 1wib h ILE 46 N 0.61 1.13 -0.42 2.25 2.04 -1.31 0.95 117.51 122.76 1wib h ILE 46 Ca 0.25 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.81 1wib h ILE 46 Cb 0.13 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1wib h ILE 46 CO -0.16 0.13 0.18 0.00 0.00 0.00 0.00 178.15 178.31 1wib h ALA 47 N 1.04 0.51 -0.28 1.87 0.00 -0.97 0.17 119.26 121.61 1wib h ALA 47 Ca 0.11 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1wib h ALA 47 Cb 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1wib h ALA 47 CO -0.02 -0.20 -0.03 -0.22 0.00 0.00 0.00 179.25 178.79 1wib h LYS 48 N 0.36 0.51 -0.90 0.00 1.63 -1.08 -2.42 116.57 114.67 1wib h LYS 48 Ca 0.19 -0.18 0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1wib h LYS 48 Cb 0.14 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.69 1wib h LYS 48 CO -0.17 0.69 0.59 0.00 -3.45 0.00 0.00 179.45 177.11 1wib h ALA 49 N 0.80 1.13 -0.33 5.00 0.00 -0.46 -1.32 119.26 124.09 1wib h ALA 49 Ca 0.07 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1wib h ALA 49 Cb 0.48 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1wib h ALA 49 CO 0.02 0.54 0.07 0.25 0.00 0.00 0.00 179.25 180.12 1wib n THR 50 N -4.46 1.52 0.18 0.00 -2.24 0.56 -4.11 114.28 105.73 1wib n THR 50 Ca 0.10 -0.75 0.07 0.00 -2.27 0.00 0.00 64.05 61.20 1wib n THR 50 Cb 0.01 -0.46 0.19 0.00 -2.10 0.00 0.00 70.33 67.97 1wib n THR 50 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1wib h GLY 51 N 4.11 0.00 1.96 3.38 0.00 -0.72 -1.89 103.07 109.91 1wib h GLY 51 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 1wib h GLY 51 CO 0.31 0.00 -0.38 -1.80 0.00 0.00 0.00 176.54 174.67 1wib h ASP 52 N 0.00 0.00 -1.11 0.19 1.82 -1.78 -3.35 116.42 112.20 1wib h ASP 52 Ca -0.00 0.00 -0.42 0.00 -0.39 0.00 0.00 57.03 56.22 1wib h ASP 52 Cb 1.11 0.00 -0.41 0.00 0.68 0.00 0.00 39.33 40.72 1wib h ASP 52 CO 0.04 0.34 -1.06 -2.67 -1.61 0.00 0.00 179.24 174.28 1wib n TRP 53 N -3.17 1.80 -2.53 0.28 2.14 -1.19 -5.10 117.44 109.67 1wib n TRP 53 Ca 0.02 -2.84 -0.39 0.00 2.07 0.00 0.00 57.50 56.36 1wib n TRP 53 Cb 0.67 -0.29 -0.05 0.00 -0.81 0.00 0.00 31.31 30.84 1wib n TRP 53 CO 0.00 0.00 0.00 -1.59 2.07 0.00 0.00 177.69 178.17 1wib s LYS 54 N -3.27 4.57 0.00 -2.67 -2.85 -0.72 -3.49 119.74 111.31 1wib s LYS 54 Ca 0.33 1.69 0.00 0.00 -1.00 0.00 0.00 55.97 56.99 1wib s LYS 54 Cb 0.44 -3.06 0.00 0.00 -2.06 0.00 0.00 37.83 33.15 1wib s LYS 54 CO -0.03 0.18 0.00 0.41 0.10 0.00 0.00 175.35 176.02 1wib n GLY 55 N 1.05 2.83 3.80 0.59 0.00 -0.11 -4.89 105.19 108.46 1wib n GLY 55 Ca 0.00 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1wib n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wib s LEU 56 N 0.00 4.02 -0.16 0.99 1.02 -1.23 -4.56 118.68 118.77 1wib s LEU 56 Ca 0.00 1.88 -0.29 0.00 0.02 0.00 0.00 54.13 55.73 1wib s LEU 56 Cb 0.00 -4.38 -0.01 0.00 0.02 0.00 0.00 46.19 41.83 1wib s LEU 56 CO 0.00 -0.48 1.09 -0.60 0.02 0.00 0.00 176.35 176.38 1wib s ARG 57 N -2.86 4.32 0.04 1.70 6.06 -1.26 -2.83 118.95 124.12 1wib s ARG 57 Ca 0.61 1.46 -0.07 0.00 -2.50 0.00 0.00 55.73 55.23 1wib s ARG 57 Cb -0.16 -3.62 -0.00 0.00 0.06 0.00 0.00 34.95 31.23 1wib s ARG 57 CO 0.20 -0.52 0.15 0.96 -2.50 0.00 0.00 175.30 173.59 1wib s ILE 58 N 2.75 0.12 0.01 4.11 -5.25 -1.26 -5.03 121.20 116.65 1wib s ILE 58 Ca 0.49 -0.97 -0.18 0.00 -0.99 0.00 0.00 60.65 59.00 1wib s ILE 58 Cb -0.18 -0.88 -0.06 0.00 2.95 0.00 0.00 42.46 44.29 1wib s ILE 58 CO 0.13 -0.54 0.50 -0.89 -1.79 0.00 0.00 174.94 172.35 1wib s THR 59 N -2.52 4.93 -0.13 8.37 2.01 -1.26 -4.32 115.64 122.73 1wib s THR 59 Ca -0.06 1.04 -0.01 0.00 0.31 0.00 0.00 61.69 62.98 1wib s THR 59 Cb -0.01 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 1wib s THR 59 CO -0.04 0.51 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.63 1wib s VAL 60 N -0.72 3.46 -0.28 3.82 1.01 -1.19 -3.10 120.40 123.40 1wib s VAL 60 Ca 0.27 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 1wib s VAL 60 Cb -0.18 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.76 1wib s VAL 60 CO 0.15 0.53 0.00 -0.75 0.00 0.00 0.00 175.10 175.03 1wib s LYS 61 N 0.15 2.85 -0.13 2.72 2.36 0.33 -3.27 119.74 124.75 1wib s LYS 61 Ca -0.04 -0.99 0.00 0.00 -2.55 0.00 0.00 55.97 52.39 1wib s LYS 61 Cb -0.14 -3.17 -0.01 0.00 -1.05 0.00 0.00 37.83 33.46 1wib s LYS 61 CO 0.04 -0.46 -0.14 -0.51 1.55 0.00 0.00 175.35 175.83 1wib s LEU 62 N 1.38 2.67 -0.12 5.43 1.43 -0.99 -2.37 118.68 126.11 1wib s LEU 62 Ca 0.00 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1wib s LEU 62 Cb -0.17 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.47 1wib s LEU 62 CO -0.01 0.17 -0.15 -0.89 0.23 0.00 0.00 176.35 175.69 1wib s THR 63 N 0.32 1.53 -0.26 5.49 2.01 -1.20 -1.31 115.64 122.22 1wib s THR 63 Ca -0.11 -0.65 -0.10 0.00 0.31 0.00 0.00 61.69 61.14 1wib s THR 63 Cb -0.16 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 1wib s THR 63 CO 0.06 0.45 0.14 -0.63 -0.69 0.00 0.00 174.62 173.94 1wib s ILE 64 N 1.06 4.98 -0.13 1.82 -1.09 -1.23 -3.42 121.20 123.20 1wib s ILE 64 Ca -0.05 0.05 -0.05 0.00 -2.23 0.00 0.00 60.65 58.38 1wib s ILE 64 Cb -0.15 -3.34 0.06 0.00 -1.58 0.00 0.00 42.46 37.46 1wib s ILE 64 CO -0.03 0.31 0.27 -1.58 -1.23 0.00 0.00 174.94 172.68 1wib s GLN 65 N 1.48 0.16 -1.45 2.79 -0.44 -1.15 -4.46 119.66 116.59 1wib s GLN 65 Ca 0.07 0.73 -0.04 0.00 -2.50 0.00 0.00 55.36 53.62 1wib s GLN 65 Cb -0.15 -0.04 0.00 0.00 -1.64 0.00 0.00 33.01 31.19 1wib s GLN 65 CO 0.07 -0.27 0.50 0.09 0.50 0.00 0.00 175.29 176.18 1wib n ASN 66 N 5.20 -5.73 -2.52 6.67 5.03 -1.26 -2.37 115.26 120.28 1wib n ASN 66 Ca -0.09 -0.24 -0.13 0.00 0.87 0.00 0.00 54.58 54.99 1wib n ASN 66 Cb 0.50 -4.58 0.05 0.00 -1.02 0.00 0.00 39.78 34.73 1wib n ASN 66 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1wib n ARG 67 N -3.65 -4.74 -4.60 3.52 1.74 -1.26 -5.04 116.66 102.63 1wib n ARG 67 Ca -0.12 0.54 -0.22 0.00 -0.77 0.00 0.00 57.85 57.28 1wib n ARG 67 Cb 0.62 -4.67 -0.15 0.00 -1.02 0.00 0.00 32.46 27.25 1wib n ARG 67 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1wib s GLN 68 N -5.42 1.12 -0.19 5.56 -1.52 -1.00 -4.98 119.66 113.24 1wib s GLN 68 Ca 0.21 -0.57 -0.03 0.00 -1.95 0.00 0.00 55.36 53.02 1wib s GLN 68 Cb -0.09 -1.10 -0.01 0.00 -0.22 0.00 0.00 33.01 31.59 1wib s GLN 68 CO 0.47 0.30 -0.07 0.00 -0.25 0.00 0.00 175.29 175.73 1wib s ALA 69 N -0.45 2.75 -0.11 6.09 0.00 -1.26 -2.91 121.76 125.88 1wib s ALA 69 Ca 0.05 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.95 1wib s ALA 69 Cb -0.06 -1.55 0.01 0.00 0.00 0.00 0.00 23.12 21.52 1wib s ALA 69 CO -0.00 -0.23 -0.17 -0.65 0.00 0.00 0.00 175.76 174.71 1wib s GLN 70 N 1.13 2.40 -0.14 0.00 -0.21 -1.22 -5.03 119.66 116.59 1wib s GLN 70 Ca 0.01 -0.63 -0.07 0.00 0.02 0.00 0.00 55.36 54.70 1wib s GLN 70 Cb -0.14 -2.00 -0.04 0.00 1.00 0.00 0.00 33.01 31.83 1wib s GLN 70 CO -0.02 -0.04 0.10 0.96 -2.12 0.00 0.00 175.29 174.18 1wib s ILE 71 N 0.91 5.14 -0.17 1.08 -4.36 -1.26 -3.24 121.20 119.30 1wib s ILE 71 Ca -0.08 0.08 -0.12 0.00 -0.26 0.00 0.00 60.65 60.27 1wib s ILE 71 Cb -0.15 -3.26 0.05 0.00 1.25 0.00 0.00 42.46 40.35 1wib s ILE 71 CO -0.01 0.55 0.43 -0.70 0.24 0.00 0.00 174.94 175.45 1wib s GLU 72 N -0.48 0.46 -0.22 0.37 -6.30 -1.00 -5.02 118.70 106.51 1wib s GLU 72 Ca 0.11 0.69 -0.08 0.00 -2.50 0.00 0.00 54.97 53.19 1wib s GLU 72 Cb -0.12 0.13 -0.04 0.00 0.00 0.00 0.00 34.13 34.10 1wib s GLU 72 CO 0.02 -0.10 0.09 0.08 0.02 0.00 0.00 175.26 175.37 1wib s VAL 73 N 0.76 4.85 0.34 3.70 1.01 -1.26 -0.52 120.40 129.28 1wib s VAL 73 Ca -0.04 -0.00 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 1wib s VAL 73 Cb -0.05 -3.23 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 1wib s VAL 73 CO -0.06 0.39 0.77 0.68 0.00 0.00 0.00 175.10 176.89 1wib s VAL 74 N 0.88 4.64 0.97 2.92 -7.23 -1.18 -5.01 120.40 116.38 1wib s VAL 74 Ca 0.05 1.01 -0.16 0.00 -1.81 0.00 0.00 61.98 61.07 1wib s VAL 74 Cb -0.13 -3.61 0.24 0.00 0.56 0.00 0.00 36.38 33.43 1wib s VAL 74 CO 0.03 -0.23 0.86 -0.81 -0.31 0.00 0.00 175.10 174.64 1wib n PRO 75 N -0.47 -2.70 -0.26 4.82 -0.04 -1.26 -4.62 135.00 130.47 1wib n PRO 75 Ca 0.04 -1.37 0.07 0.00 -0.04 0.00 0.00 63.50 62.19 1wib n PRO 75 Cb 0.53 -1.29 0.18 0.00 -0.04 0.00 0.00 33.50 32.89 1wib n PRO 75 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wib h SER 76 N -2.36 -0.26 -2.79 3.54 0.87 -2.01 -3.42 113.55 107.11 1wib h SER 76 Ca -0.32 0.19 0.05 0.00 -1.23 0.00 0.00 61.79 60.48 1wib h SER 76 Cb 0.99 0.32 -0.22 0.00 -0.44 0.00 0.00 62.40 63.04 1wib h SER 76 CO 0.21 -0.17 0.10 0.00 -0.53 0.00 0.00 176.83 176.44 1wib s ALA 77 N -6.08 -2.00 -0.15 6.23 0.00 -1.26 -5.12 121.76 113.38 1wib s ALA 77 Ca -0.13 2.37 -0.00 0.00 0.00 0.00 0.00 51.96 54.19 1wib s ALA 77 Cb 0.23 -1.53 0.03 0.00 0.00 0.00 0.00 23.12 21.86 1wib s ALA 77 CO 0.76 -0.42 -0.08 0.45 0.00 0.00 0.00 175.76 176.47 1wib s SER 78 N 1.66 2.72 -1.35 0.00 0.15 -1.26 -4.83 113.70 110.79 1wib s SER 78 Ca -0.09 -0.58 -0.08 0.00 0.70 0.00 0.00 55.95 55.90 1wib s SER 78 Cb -0.05 -0.97 0.08 0.00 -1.71 0.00 0.00 66.02 63.37 1wib s SER 78 CO -0.19 -0.15 0.19 0.00 1.20 0.00 0.00 173.24 174.30 1wib n ALA 79 N 4.85 -1.47 -1.15 5.45 0.00 -1.26 -4.75 120.51 122.18 1wib n ALA 79 Ca -0.13 -0.27 -0.22 0.00 0.00 0.00 0.00 53.44 52.82 1wib n ALA 79 Cb 0.48 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1wib n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wib n LEU 80 N -3.67 6.56 -4.60 0.00 4.77 -1.26 -4.90 117.00 113.89 1wib n LEU 80 Ca -0.12 -3.66 -0.39 0.00 -0.03 0.00 0.00 56.01 51.81 1wib n LEU 80 Cb 0.48 -1.12 -0.09 0.00 -2.33 0.00 0.00 43.42 40.36 1wib n LEU 80 CO 0.72 1.44 0.01 -0.44 -1.33 0.00 0.00 177.39 177.79 1wib s SER 81 N 0.11 6.20 0.00 -1.43 0.01 -1.26 -4.93 113.70 112.40 1wib s SER 81 Ca 0.44 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.93 1wib s SER 81 Cb 0.31 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 64.36 1wib s SER 81 CO -0.09 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1wib n GLY 82 N 4.74 1.80 0.00 3.44 0.00 -1.26 -4.72 105.19 109.18 1wib n GLY 82 Ca -0.10 -1.65 0.08 0.00 0.00 0.00 0.00 46.02 44.35 1wib n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wib n PRO 83 N 1.76 0.46 -1.63 1.61 -0.04 -1.26 -4.84 135.00 131.05 1wib n PRO 83 Ca 0.00 0.01 -0.45 0.00 -0.04 0.00 0.00 63.50 63.02 1wib n PRO 83 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 1wib n PRO 83 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wib n SER 84 N -1.03 2.04 -3.92 3.54 3.41 -1.26 -4.99 113.62 111.41 1wib n SER 84 Ca 0.11 1.17 -0.09 0.00 -0.26 0.00 0.00 58.87 59.80 1wib n SER 84 Cb 0.06 -1.36 -0.07 0.00 -0.26 0.00 0.00 64.21 62.58 1wib n SER 84 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wib s SER 85 N -0.16 0.05 0.00 4.04 1.04 -1.26 -5.05 113.70 112.35 1wib s SER 85 Ca 0.63 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1wib s SER 85 Cb -0.68 0.41 0.00 0.00 0.10 0.00 0.00 66.02 65.85 1wib s SER 85 CO 0.56 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.54