#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 6.90 0.88 1.61 0.01 -1.26 -5.04 113.70 116.80 1wib s SER -5 Ca 0.00 -2.81 -0.10 0.00 1.31 0.00 0.00 55.95 54.35 1wib s SER -5 Cb 0.00 -2.27 0.13 0.00 0.21 0.00 0.00 66.02 64.09 1wib s SER -5 CO 0.00 -0.62 1.13 -0.44 0.41 0.00 0.00 173.24 173.72 1wib s SER -4 N 2.32 3.29 0.00 2.44 0.01 -1.26 -4.96 113.70 115.54 1wib s SER -4 Ca 0.26 2.08 0.00 0.00 1.31 0.00 0.00 55.95 59.60 1wib s SER -4 Cb -0.08 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1wib s SER -4 CO -0.08 -2.85 0.00 0.61 0.41 0.00 0.00 173.24 171.33 1wib n GLY -3 N -0.17 -0.93 3.35 3.44 0.00 -1.26 -5.16 105.19 104.47 1wib n GLY -3 Ca 0.11 0.32 -0.35 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 -2.59 0.03 1.61 2.88 -1.26 -4.98 113.62 109.30 1wib n SER -2 Ca 0.00 0.39 -0.01 0.00 -1.33 0.00 0.00 58.87 57.92 1wib n SER -2 Cb 0.00 -1.12 -0.00 0.00 -0.75 0.00 0.00 64.21 62.34 1wib n SER -2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wib n SER -1 N -0.05 0.91 -3.21 -3.46 3.41 -1.26 -5.01 113.62 104.95 1wib n SER -1 Ca 0.06 0.12 -0.18 0.00 -0.26 0.00 0.00 58.87 58.61 1wib n SER -1 Cb 0.53 -0.30 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 1wib n SER -1 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wib s GLY 1 N -3.82 0.16 0.70 5.00 0.00 -1.26 -5.14 107.32 102.96 1wib s GLY 1 Ca -0.02 -1.47 -0.13 0.00 0.00 0.00 0.00 44.72 43.09 1wib s GLY 1 CO 0.04 2.73 1.10 2.56 0.00 0.00 0.00 173.10 179.53 1wib s PRO 2 N 0.67 2.59 0.40 2.90 0.04 -1.26 -5.05 135.00 135.29 1wib s PRO 2 Ca 0.28 1.30 -0.07 0.00 0.04 0.00 0.00 61.00 62.55 1wib s PRO 2 Cb -0.03 -1.93 0.10 0.00 0.04 0.00 0.00 34.50 32.68 1wib s PRO 2 CO -0.11 -1.40 0.36 -0.35 0.04 0.00 0.00 177.00 175.54 1wib n PRO 3 N -2.85 -1.73 -2.96 0.56 -0.04 -1.26 -4.96 135.00 121.76 1wib n PRO 3 Ca 0.10 -0.57 -0.41 0.00 -0.04 0.00 0.00 63.50 62.58 1wib n PRO 3 Cb 0.52 -0.54 0.00 0.00 -0.04 0.00 0.00 33.50 33.45 1wib n PRO 3 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1wib n LYS 4 N -2.61 4.48 -3.55 0.54 2.85 -1.26 -4.95 118.16 113.65 1wib n LYS 4 Ca 0.05 -4.60 -0.12 0.00 -1.05 0.00 0.00 58.31 52.59 1wib n LYS 4 Cb 0.19 -2.47 -0.05 0.00 -0.65 0.00 0.00 35.03 32.05 1wib n LYS 4 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 1wib s PHE 5 N -3.12 -0.44 -0.01 5.58 2.19 -1.26 -5.18 117.98 115.74 1wib s PHE 5 Ca 0.34 0.69 -0.04 0.00 0.33 0.00 0.00 56.93 58.26 1wib s PHE 5 Cb 0.09 0.45 0.00 0.00 -1.31 0.00 0.00 43.02 42.26 1wib s PHE 5 CO 0.04 -0.44 0.08 -0.51 1.83 0.00 0.00 175.22 176.22 1wib s ASP 6 N -1.34 0.01 0.00 6.13 1.01 -1.26 -5.02 116.67 116.20 1wib s ASP 6 Ca -0.03 -0.08 0.16 0.00 0.71 0.00 0.00 52.55 53.31 1wib s ASP 6 Cb -0.00 0.18 0.93 0.00 1.01 0.00 0.00 42.92 45.03 1wib s ASP 6 CO 0.02 -0.19 1.34 -0.81 0.21 0.00 0.00 175.17 175.74 1wib n PRO 7 N 2.24 0.49 -0.02 8.23 -0.04 -1.26 -3.18 135.00 141.46 1wib n PRO 7 Ca -0.18 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.15 1wib n PRO 7 Cb 0.57 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 1wib n PRO 7 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1wib h ASN 8 N 0.00 -0.03 0.00 3.54 2.35 -2.03 -3.26 115.58 116.15 1wib h ASN 8 Ca 0.00 -0.59 -0.13 0.00 -0.55 0.00 0.00 56.30 55.04 1wib h ASN 8 Cb 0.00 0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.33 1wib h ASN 8 CO 0.00 0.59 -0.24 -1.84 -1.65 0.00 0.00 177.43 174.29 1wib n GLU 9 N -4.81 1.61 -0.87 0.81 0.28 -1.19 -4.95 120.64 111.51 1wib n GLU 9 Ca -0.09 -0.68 -0.28 0.00 -0.16 0.00 0.00 57.16 55.96 1wib n GLU 9 Cb 0.31 -1.71 0.01 0.00 1.43 0.00 0.00 31.44 31.47 1wib n GLU 9 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1wib n VAL 10 N 2.26 0.00 -3.72 3.84 0.31 -1.23 -4.97 118.33 114.82 1wib n VAL 10 Ca 0.29 -0.36 -0.22 0.00 -0.01 0.00 0.00 64.34 64.04 1wib n VAL 10 Cb 0.75 0.00 -0.18 0.00 -0.91 0.00 0.00 33.84 33.50 1wib n VAL 10 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1wib s LYS 11 N -0.83 0.30 -0.04 5.55 2.47 -1.26 -5.11 119.74 120.82 1wib s LYS 11 Ca 0.39 0.20 0.07 0.00 -1.56 0.00 0.00 55.97 55.07 1wib s LYS 11 Cb -0.32 -0.84 -0.01 0.00 -1.46 0.00 0.00 37.83 35.19 1wib s LYS 11 CO 0.49 -0.34 -0.25 0.08 0.16 0.00 0.00 175.35 175.50 1wib s VAL 12 N 2.06 1.98 0.00 4.02 1.01 -1.26 -2.78 120.40 125.44 1wib s VAL 12 Ca 0.05 -1.05 0.06 0.00 0.00 0.00 0.00 61.98 61.04 1wib s VAL 12 Cb -0.12 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1wib s VAL 12 CO -0.05 0.56 -0.19 0.54 0.00 0.00 0.00 175.10 175.96 1wib s VAL 13 N -0.35 2.70 -0.14 2.92 0.11 0.10 -4.96 120.40 120.78 1wib s VAL 13 Ca 0.03 -1.03 -0.03 0.00 -2.93 0.00 0.00 61.98 58.01 1wib s VAL 13 Cb -0.12 -2.07 -0.03 0.00 -1.53 0.00 0.00 36.38 32.63 1wib s VAL 13 CO 0.01 0.47 -0.03 -0.31 -3.33 0.00 0.00 175.10 171.91 1wib s TYR 14 N -0.80 3.04 0.04 1.54 1.51 -1.26 -1.98 117.35 119.43 1wib s TYR 14 Ca 0.13 -0.20 0.02 0.00 -1.01 0.00 0.00 57.07 56.01 1wib s TYR 14 Cb -0.10 -1.92 -0.02 0.00 -0.11 0.00 0.00 41.96 39.80 1wib s TYR 14 CO 0.02 0.06 -0.08 -0.51 -1.11 0.00 0.00 175.55 173.94 1wib s LEU 15 N 0.12 2.24 -0.25 -1.29 2.01 -1.26 -5.07 118.68 115.17 1wib s LEU 15 Ca -0.01 -0.52 -0.05 0.00 0.01 0.00 0.00 54.13 53.57 1wib s LEU 15 Cb -0.13 -0.18 -0.00 0.00 0.01 0.00 0.00 46.19 45.89 1wib s LEU 15 CO 0.03 -0.18 0.00 -0.13 1.01 0.00 0.00 176.35 177.08 1wib s ARG 16 N -1.47 3.28 0.24 1.70 3.00 -1.26 -4.53 118.95 119.91 1wib s ARG 16 Ca -0.09 -0.71 -0.20 0.00 0.00 0.00 0.00 55.73 54.74 1wib s ARG 16 Cb -0.09 -3.14 0.03 0.00 0.00 0.00 0.00 34.95 31.74 1wib s ARG 16 CO 0.00 -0.28 0.63 0.00 0.00 0.00 0.00 175.30 175.65 1wib s THR 18 N -3.89 3.58 -0.16 0.00 2.01 -1.26 -4.64 115.64 111.29 1wib s THR 18 Ca 0.10 1.35 -0.29 0.00 0.31 0.00 0.00 61.69 63.16 1wib s THR 18 Cb -0.04 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 1wib s THR 18 CO 0.02 0.14 1.95 -0.83 -0.69 0.00 0.00 174.62 175.20 1wib s GLY 19 N -1.29 0.99 -0.27 4.40 0.00 -1.23 -3.67 107.32 106.26 1wib s GLY 19 Ca 0.53 0.80 -0.05 0.00 0.00 0.00 0.00 44.72 46.01 1wib s GLY 19 CO 0.33 3.45 0.31 0.61 0.00 0.00 0.00 173.10 177.80 1wib n GLY 20 N 5.09 -0.91 2.24 0.20 0.00 -1.26 -1.89 105.19 108.65 1wib n GLY 20 Ca 0.23 0.40 -0.31 0.00 0.00 0.00 0.00 46.02 46.35 1wib n GLY 20 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wib n GLU 21 N -0.78 3.08 -0.23 1.61 -0.00 -1.24 -4.78 120.64 118.30 1wib n GLU 21 Ca 0.04 -3.68 0.17 0.00 -0.00 0.00 0.00 57.16 53.69 1wib n GLU 21 Cb 0.33 -2.28 0.32 0.00 -0.00 0.00 0.00 31.44 29.81 1wib n GLU 21 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1wib n VAL 22 N -0.81 -0.30 -1.64 3.84 3.14 -1.26 -2.68 118.33 118.63 1wib n VAL 22 Ca 0.54 1.48 -0.39 0.00 -2.96 0.00 0.00 64.34 63.02 1wib n VAL 22 Cb 0.76 -2.29 -0.04 0.00 -1.06 0.00 0.00 33.84 31.20 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 -1.26 2.37 4.00 7.55 0.00 -1.26 -4.91 105.19 111.69 1wib n GLY 23 Ca 0.22 -1.17 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 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 6.41 4.06 -0.35 4.61 0.00 -1.09 -5.05 121.76 130.35 1wib s ALA 24 Ca 0.59 -1.80 0.08 0.00 0.00 0.00 0.00 51.96 50.82 1wib s ALA 24 Cb 0.09 -1.84 0.45 0.00 0.00 0.00 0.00 23.12 21.82 1wib s ALA 24 CO 0.09 -1.15 1.14 -2.37 0.00 0.00 0.00 175.76 173.47 1wib n THR 25 N -2.56 2.29 -3.50 0.00 5.66 -1.26 -4.92 114.28 109.99 1wib n THR 25 Ca 0.14 -4.34 -0.25 0.00 -3.05 0.00 0.00 64.05 56.54 1wib n THR 25 Cb 0.61 -0.91 0.04 0.00 -1.55 0.00 0.00 70.33 68.51 1wib n THR 25 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1wib n SER 26 N -0.57 -5.45 0.09 1.09 7.64 -1.26 -4.86 113.62 110.30 1wib n SER 26 Ca 0.37 -0.52 0.12 0.00 1.01 0.00 0.00 58.87 59.85 1wib n SER 26 Cb 0.83 -4.36 0.19 0.00 -1.01 0.00 0.00 64.21 59.85 1wib n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wib h ALA 27 N 0.99 0.70 0.00 -0.43 0.00 -2.02 -3.31 119.26 115.19 1wib h ALA 27 Ca -0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1wib h ALA 27 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1wib h ALA 27 CO 0.59 0.00 -1.91 1.28 0.00 0.00 0.00 179.25 179.22 1wib n LEU 28 N -2.34 0.08 0.03 0.00 4.77 -1.26 -4.20 117.00 114.08 1wib n LEU 28 Ca 0.03 0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.89 1wib n LEU 28 Cb 0.47 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.48 1wib n LEU 28 CO 0.36 -0.00 0.57 0.00 -1.33 0.00 0.00 177.39 176.98 1wib h ALA 29 N 2.03 -0.67 0.00 -1.18 0.00 -1.96 0.36 119.26 117.84 1wib h ALA 29 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1wib h ALA 29 Cb 0.98 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 1wib h ALA 29 CO 0.00 -0.96 -0.34 -1.00 0.00 0.00 0.00 179.25 176.95 1wib h PRO 30 N -0.55 0.00 -0.51 0.00 0.13 -1.79 -1.15 132.00 128.14 1wib h PRO 30 Ca 0.06 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.07 1wib h PRO 30 Cb 0.65 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.77 1wib h PRO 30 CO -0.36 0.34 -0.14 0.87 -0.23 0.00 0.00 178.00 178.47 1wib h LYS 31 N 0.00 1.00 -0.00 0.86 1.57 -1.49 -2.92 116.57 115.58 1wib h LYS 31 Ca -0.00 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1wib h LYS 31 Cb 0.74 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1wib h LYS 31 CO 0.04 1.07 -0.44 -0.89 -0.57 0.00 0.00 179.45 178.66 1wib n ILE 32 N -4.16 0.00 -0.29 1.86 5.41 0.03 -4.44 119.36 117.77 1wib n ILE 32 Ca 0.01 -0.06 -0.11 0.00 1.00 0.00 0.00 62.75 63.58 1wib n ILE 32 Cb 0.42 0.43 -0.09 0.00 -0.71 0.00 0.00 39.64 39.68 1wib n ILE 32 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1wib h GLY 33 N 4.96 -1.02 1.87 7.39 0.00 -1.00 0.20 103.07 115.48 1wib h GLY 33 Ca 0.00 0.79 -0.11 0.00 0.00 0.00 0.00 47.33 48.01 1wib h GLY 33 CO 0.00 -0.08 -0.48 -0.56 0.00 0.00 0.00 176.54 175.42 1wib h PRO 34 N -0.14 0.14 0.70 4.80 0.13 -1.78 -3.27 132.00 132.58 1wib h PRO 34 Ca 0.12 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 65.15 1wib h PRO 34 Cb 0.45 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 1wib h PRO 34 CO -0.75 0.59 -0.44 -0.07 -0.23 0.00 0.00 178.00 177.10 1wib h LEU 35 N 0.11 -1.12 0.00 1.56 4.07 -1.29 -3.48 115.31 115.17 1wib h LEU 35 Ca 0.00 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1wib h LEU 35 Cb 0.89 0.33 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1wib h LEU 35 CO 0.07 -0.68 0.00 0.61 -1.08 0.00 0.00 178.44 177.36 1wib n GLY 36 N -1.57 3.63 3.22 0.83 0.00 -0.12 -5.11 105.19 106.07 1wib n GLY 36 Ca -0.14 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.55 -4.78 0.99 4.32 -1.26 -4.98 117.00 109.74 1wib n LEU 37 Ca 0.00 -0.38 -0.34 0.00 -0.02 0.00 0.00 56.01 55.26 1wib n LEU 37 Cb 0.00 -0.96 -0.07 0.00 -1.62 0.00 0.00 43.42 40.77 1wib n LEU 37 CO 0.00 -3.52 -0.25 -0.94 -1.22 0.00 0.00 177.39 171.47 1wib s SER 38 N -2.24 5.72 0.36 -1.43 1.04 -1.26 -4.78 113.70 111.11 1wib s SER 38 Ca 0.55 0.22 0.15 0.00 0.48 0.00 0.00 55.95 57.34 1wib s SER 38 Cb -0.12 -1.69 0.66 0.00 0.10 0.00 0.00 66.02 64.97 1wib s SER 38 CO 0.55 0.33 1.76 1.55 0.98 0.00 0.00 173.24 178.41 1wib h PRO 39 N 4.59 0.00 0.15 4.02 0.13 -1.91 -2.78 132.00 136.19 1wib h PRO 39 Ca -0.51 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 1wib h PRO 39 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wib h PRO 39 CO 0.59 0.42 -0.07 -0.22 -0.23 0.00 0.00 178.00 178.50 1wib h LYS 40 N 0.00 -0.19 -0.41 0.86 3.64 -1.97 0.25 116.57 118.75 1wib h LYS 40 Ca -0.00 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1wib h LYS 40 Cb 0.81 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.64 1wib h LYS 40 CO 0.06 0.23 0.17 -0.22 -2.27 0.00 0.00 179.45 177.41 1wib h LYS 41 N -0.68 0.34 -0.25 1.90 3.64 -1.99 0.19 116.57 119.72 1wib h LYS 41 Ca -0.02 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 1wib h LYS 41 Cb 0.50 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1wib h LYS 41 CO 0.03 0.23 -0.17 0.28 -2.27 0.00 0.00 179.45 177.55 1wib h VAL 42 N 0.35 1.31 -0.43 2.00 2.07 -1.55 -2.41 116.25 117.59 1wib h VAL 42 Ca 0.18 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1wib h VAL 42 Cb 0.14 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1wib h VAL 42 CO -0.16 0.40 0.27 1.23 0.02 0.00 0.00 177.57 179.32 1wib h GLY 43 N 0.27 0.61 0.99 2.17 0.00 -0.17 -2.23 103.07 104.71 1wib h GLY 43 Ca 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1wib h GLY 43 CO 0.05 0.24 0.29 -1.80 0.00 0.00 0.00 176.54 175.32 1wib h ASP 44 N 0.57 0.75 -0.67 0.19 3.58 -0.65 -2.41 116.42 117.78 1wib h ASP 44 Ca 0.15 -0.12 0.06 0.00 0.42 0.00 0.00 57.03 57.54 1wib h ASP 44 Cb -0.02 -0.19 -0.05 0.00 1.72 0.00 0.00 39.33 40.78 1wib h ASP 44 CO -0.03 0.66 0.37 0.44 -2.88 0.00 0.00 179.24 177.80 1wib h ASP 45 N 0.79 0.56 -0.54 2.28 5.19 -1.18 -2.14 116.42 121.38 1wib h ASP 45 Ca 0.20 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.63 1wib h ASP 45 Cb 0.10 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.50 1wib h ASP 45 CO -0.03 0.36 0.30 0.40 -3.12 0.00 0.00 179.24 177.15 1wib h ILE 46 N 0.69 1.18 -0.66 0.35 2.04 -1.11 -0.47 117.51 119.53 1wib h ILE 46 Ca 0.30 -0.45 0.07 0.00 1.00 0.00 0.00 64.86 65.78 1wib h ILE 46 Cb 0.18 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 36.69 1wib h ILE 46 CO -0.18 0.19 0.34 0.00 0.00 0.00 0.00 178.15 178.51 1wib h ALA 47 N 1.13 0.88 -0.22 1.87 0.00 -0.92 0.19 119.26 122.20 1wib h ALA 47 Ca 0.19 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1wib h ALA 47 Cb 0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1wib h ALA 47 CO -0.03 -0.01 -0.16 -0.22 0.00 0.00 0.00 179.25 178.83 1wib h LYS 48 N 0.62 0.49 -0.42 0.00 1.63 -1.11 0.47 116.57 118.25 1wib h LYS 48 Ca 0.31 -0.24 -0.02 0.00 -0.85 0.00 0.00 60.65 59.85 1wib h LYS 48 Cb 0.24 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 1wib h LYS 48 CO -0.21 0.80 0.19 0.00 -3.45 0.00 0.00 179.45 176.78 1wib h ALA 49 N 0.68 1.55 -0.33 5.00 0.00 -0.63 -2.22 119.26 123.31 1wib h ALA 49 Ca 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1wib h ALA 49 Cb 0.68 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1wib h ALA 49 CO 0.04 0.36 0.01 0.25 0.00 0.00 0.00 179.25 179.91 1wib n THR 50 N -4.39 2.40 0.08 0.00 -2.24 0.63 -4.56 114.28 106.20 1wib n THR 50 Ca 0.03 -1.85 -0.07 0.00 -2.27 0.00 0.00 64.05 59.88 1wib n THR 50 Cb 0.13 -0.27 0.04 0.00 -2.10 0.00 0.00 70.33 68.13 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 2.10 0.24 2.00 3.38 0.00 0.59 -1.24 103.07 110.14 1wib h GLY 51 Ca 0.02 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 1wib h GLY 51 CO 0.29 0.33 -0.32 -0.55 0.00 0.00 0.00 176.54 176.30 1wib h ASP 52 N 0.14 0.00 -0.99 0.19 5.19 -1.80 -3.19 116.42 115.95 1wib h ASP 52 Ca -0.03 0.00 -0.45 0.00 -0.62 0.00 0.00 57.03 55.93 1wib h ASP 52 Cb 1.35 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 40.44 1wib h ASP 52 CO 0.12 0.32 -0.95 -2.67 -3.12 0.00 0.00 179.24 172.93 1wib n TRP 53 N -3.96 2.23 -2.43 4.55 2.14 -1.18 -5.08 117.44 113.71 1wib n TRP 53 Ca -0.02 -2.64 -0.42 0.00 2.07 0.00 0.00 57.50 56.50 1wib n TRP 53 Cb 0.38 -0.25 -0.03 0.00 -0.81 0.00 0.00 31.31 30.60 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 -3.49 4.47 0.00 -2.67 0.00 -0.48 -3.19 119.74 114.38 1wib s LYS 54 Ca 0.39 1.78 0.00 0.00 0.00 0.00 0.00 55.97 58.14 1wib s LYS 54 Cb 0.40 -3.31 0.00 0.00 0.00 0.00 0.00 37.83 34.92 1wib s LYS 54 CO -0.05 -0.16 0.00 0.41 0.00 0.00 0.00 175.35 175.55 1wib n GLY 55 N 2.81 2.71 3.88 0.59 0.00 -0.79 -5.00 105.19 109.39 1wib n GLY 55 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.25 0.99 1.43 -1.19 -4.80 118.68 118.88 1wib s LEU 56 Ca 0.00 1.02 -0.27 0.00 -1.03 0.00 0.00 54.13 53.84 1wib s LEU 56 Cb 0.00 -3.83 0.01 0.00 0.03 0.00 0.00 46.19 42.39 1wib s LEU 56 CO 0.00 -0.23 0.97 -0.13 0.23 0.00 0.00 176.35 177.20 1wib s ARG 57 N -3.32 4.21 0.08 1.70 1.81 -1.26 -3.47 118.95 118.70 1wib s ARG 57 Ca 0.49 1.18 -0.09 0.00 -1.72 0.00 0.00 55.73 55.60 1wib s ARG 57 Cb -0.11 -3.65 -0.00 0.00 -0.45 0.00 0.00 34.95 30.74 1wib s ARG 57 CO 0.25 -0.63 0.19 0.96 -0.68 0.00 0.00 175.30 175.40 1wib s ILE 58 N 3.13 0.14 -0.22 1.52 -5.25 -1.26 -5.06 121.20 114.20 1wib s ILE 58 Ca 0.41 -1.15 -0.06 0.00 -0.99 0.00 0.00 60.65 58.86 1wib s ILE 58 Cb -0.15 -1.30 -0.03 0.00 2.95 0.00 0.00 42.46 43.93 1wib s ILE 58 CO 0.08 -0.64 0.04 -0.89 -1.79 0.00 0.00 174.94 171.74 1wib s THR 59 N -3.76 4.19 0.11 8.37 2.01 -1.26 -4.72 115.64 120.58 1wib s THR 59 Ca 0.04 -0.22 0.06 0.00 0.31 0.00 0.00 61.69 61.88 1wib s THR 59 Cb 0.04 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 1wib s THR 59 CO -0.10 0.39 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.50 1wib s VAL 60 N 1.19 3.77 -0.11 3.82 1.01 -1.26 -2.75 120.40 126.07 1wib s VAL 60 Ca 0.04 -1.14 -0.05 0.00 0.00 0.00 0.00 61.98 60.83 1wib s VAL 60 Cb -0.14 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1wib s VAL 60 CO 0.02 0.08 0.08 -1.59 0.00 0.00 0.00 175.10 173.70 1wib s LYS 61 N -2.37 3.32 -0.26 2.72 -2.85 -0.16 -4.37 119.74 115.77 1wib s LYS 61 Ca 0.25 -0.25 -0.02 0.00 -1.00 0.00 0.00 55.97 54.95 1wib s LYS 61 Cb -0.11 -3.05 0.03 0.00 -2.06 0.00 0.00 37.83 32.64 1wib s LYS 61 CO 0.17 0.70 -0.05 -0.51 0.10 0.00 0.00 175.35 175.77 1wib s LEU 62 N -0.84 3.34 -0.13 2.77 1.43 -0.84 -3.11 118.68 121.30 1wib s LEU 62 Ca 0.13 -0.95 0.02 0.00 -1.03 0.00 0.00 54.13 52.30 1wib s LEU 62 Cb -0.12 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.42 1wib s LEU 62 CO 0.03 -0.15 -0.19 -0.89 0.23 0.00 0.00 176.35 175.38 1wib s THR 63 N 1.31 2.46 -0.17 5.49 2.01 -1.04 0.01 115.64 125.71 1wib s THR 63 Ca -0.01 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.14 1wib s THR 63 Cb -0.17 -2.00 0.02 0.00 0.01 0.00 0.00 72.50 70.36 1wib s THR 63 CO -0.04 0.54 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.61 1wib s ILE 64 N 0.52 2.16 -0.10 1.82 -1.09 -1.12 -1.68 121.20 121.71 1wib s ILE 64 Ca -0.12 -0.92 -0.07 0.00 -2.23 0.00 0.00 60.65 57.32 1wib s ILE 64 Cb -0.16 -1.90 0.04 0.00 -1.58 0.00 0.00 42.46 38.85 1wib s ILE 64 CO 0.05 0.54 0.24 0.00 -1.23 0.00 0.00 174.94 174.53 1wib s GLN 65 N 1.16 0.24 -1.34 2.79 -2.07 -0.26 -4.40 119.66 115.77 1wib s GLN 65 Ca 0.02 0.45 -0.10 0.00 -1.82 0.00 0.00 55.36 53.90 1wib s GLN 65 Cb -0.14 -0.01 0.01 0.00 -1.09 0.00 0.00 33.01 31.77 1wib s GLN 65 CO -0.09 -0.11 0.47 -1.71 -1.32 0.00 0.00 175.29 172.53 1wib n ASN 66 N 3.69 -1.78 -2.06 12.60 5.15 -1.26 0.98 115.26 132.58 1wib n ASN 66 Ca -0.20 -1.10 -0.16 0.00 -0.60 0.00 0.00 54.58 52.52 1wib n ASN 66 Cb 0.55 -2.66 -0.03 0.00 -0.53 0.00 0.00 39.78 37.12 1wib n ASN 66 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1wib n ARG 67 N -4.49 -1.77 -4.60 1.20 1.74 -1.26 -4.95 116.66 102.53 1wib n ARG 67 Ca -0.24 0.82 -0.31 0.00 -0.77 0.00 0.00 57.85 57.35 1wib n ARG 67 Cb 0.65 -5.32 -0.12 0.00 -1.02 0.00 0.00 32.46 26.65 1wib n ARG 67 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1wib s GLN 68 N -4.40 2.17 -0.07 5.56 0.74 0.27 -4.98 119.66 118.95 1wib s GLN 68 Ca 0.00 -0.93 0.05 0.00 0.05 0.00 0.00 55.36 54.53 1wib s GLN 68 Cb 0.00 -2.25 -0.01 0.00 1.10 0.00 0.00 33.01 31.85 1wib s GLN 68 CO 0.00 0.55 -0.23 0.00 -0.55 0.00 0.00 175.29 175.06 1wib s ALA 69 N -0.95 2.23 -0.07 1.58 0.00 -1.26 -1.11 121.76 122.18 1wib s ALA 69 Ca 0.15 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 1wib s ALA 69 Cb -0.11 -0.77 0.03 0.00 0.00 0.00 0.00 23.12 22.27 1wib s ALA 69 CO 0.06 0.38 -0.02 -1.14 0.00 0.00 0.00 175.76 175.04 1wib s GLN 70 N -0.02 0.81 -0.13 0.00 0.74 -0.68 -5.02 119.66 115.37 1wib s GLN 70 Ca -0.08 0.01 -0.02 0.00 0.05 0.00 0.00 55.36 55.32 1wib s GLN 70 Cb -0.15 -1.06 -0.03 0.00 1.10 0.00 0.00 33.01 32.88 1wib s GLN 70 CO 0.05 -0.26 -0.05 0.96 -0.55 0.00 0.00 175.29 175.44 1wib s ILE 71 N 1.75 3.81 0.01 -2.34 -4.36 -1.26 -2.48 121.20 116.32 1wib s ILE 71 Ca 0.02 -0.40 -0.07 0.00 -0.26 0.00 0.00 60.65 59.94 1wib s ILE 71 Cb -0.13 -2.63 -0.00 0.00 1.25 0.00 0.00 42.46 40.95 1wib s ILE 71 CO -0.05 0.53 0.13 -0.70 0.24 0.00 0.00 174.94 175.09 1wib s GLU 72 N -0.00 0.50 -0.02 0.37 2.56 -1.18 -5.00 118.70 115.94 1wib s GLU 72 Ca 0.00 -0.47 -0.17 0.00 0.00 0.00 0.00 54.97 54.33 1wib s GLU 72 Cb -0.13 0.20 -0.05 0.00 2.00 0.00 0.00 34.13 36.15 1wib s GLU 72 CO 0.03 -0.12 0.48 0.08 -0.56 0.00 0.00 175.26 175.17 1wib s VAL 73 N -1.61 4.99 0.34 3.70 1.01 -1.26 -0.99 120.40 126.58 1wib s VAL 73 Ca -0.13 1.00 -0.26 0.00 0.00 0.00 0.00 61.98 62.59 1wib s VAL 73 Cb -0.07 -3.81 -0.10 0.00 0.00 0.00 0.00 36.38 32.41 1wib s VAL 73 CO 0.00 0.49 0.99 0.68 0.00 0.00 0.00 175.10 177.26 1wib s VAL 74 N -0.52 4.00 0.61 2.92 -7.23 -1.11 -4.96 120.40 114.10 1wib s VAL 74 Ca 0.26 1.64 -0.17 0.00 -1.81 0.00 0.00 61.98 61.91 1wib s VAL 74 Cb -0.17 -3.90 -0.03 0.00 0.56 0.00 0.00 36.38 32.84 1wib s VAL 74 CO 0.14 0.12 1.12 -2.16 -0.31 0.00 0.00 175.10 174.01 1wib s PRO 75 N -2.14 3.05 0.39 4.82 0.04 -1.26 -4.92 135.00 134.99 1wib s PRO 75 Ca 0.52 1.49 -0.27 0.00 0.04 0.00 0.00 61.00 62.78 1wib s PRO 75 Cb -0.21 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 1wib s PRO 75 CO 0.26 -1.06 1.40 0.43 0.04 0.00 0.00 177.00 178.07 1wib n SER 76 N -1.91 3.30 -3.26 6.66 7.64 -1.26 -4.99 113.62 119.81 1wib n SER 76 Ca 0.11 1.18 -0.05 0.00 1.01 0.00 0.00 58.87 61.12 1wib n SER 76 Cb 0.52 -1.57 0.02 0.00 -1.01 0.00 0.00 64.21 62.16 1wib n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wib s ALA 77 N -1.14 -1.28 0.26 -0.43 0.00 -1.26 -5.19 121.76 112.72 1wib s ALA 77 Ca 0.57 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.09 1wib s ALA 77 Cb -0.49 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 1wib s ALA 77 CO 0.61 -1.03 0.10 -1.54 0.00 0.00 0.00 175.76 173.90 1wib s SER 78 N -3.22 1.18 -0.97 0.00 1.04 -1.26 -5.04 113.70 105.43 1wib s SER 78 Ca 0.18 -1.39 -0.26 0.00 0.48 0.00 0.00 55.95 54.97 1wib s SER 78 Cb -0.04 0.17 -0.21 0.00 0.10 0.00 0.00 66.02 66.05 1wib s SER 78 CO 0.07 -0.73 1.99 0.00 0.98 0.00 0.00 173.24 175.55 1wib n ALA 79 N -0.47 0.95 -3.09 5.32 0.00 -1.26 -4.83 120.51 117.15 1wib n ALA 79 Ca 0.00 -2.59 -0.45 0.00 0.00 0.00 0.00 53.44 50.40 1wib n ALA 79 Cb 0.66 -3.45 -0.01 0.00 0.00 0.00 0.00 19.45 16.65 1wib n ALA 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wib s LEU 80 N 12.48 5.58 -0.11 0.00 1.43 -1.26 -4.96 118.68 131.85 1wib s LEU 80 Ca 0.75 -2.93 -0.07 0.00 -1.03 0.00 0.00 54.13 50.85 1wib s LEU 80 Cb -0.00 -2.33 0.04 0.00 0.03 0.00 0.00 46.19 43.93 1wib s LEU 80 CO 0.19 -0.67 0.26 -0.44 0.23 0.00 0.00 176.35 175.92 1wib s SER 81 N 2.53 -0.28 0.06 2.29 0.01 -1.26 -5.16 113.70 111.87 1wib s SER 81 Ca 0.35 0.55 0.07 0.00 1.31 0.00 0.00 55.95 58.23 1wib s SER 81 Cb -0.06 0.47 -0.03 0.00 0.21 0.00 0.00 66.02 66.61 1wib s SER 81 CO -0.05 -0.14 -0.16 -0.83 0.41 0.00 0.00 173.24 172.47 1wib s GLY 82 N 0.92 1.64 -0.86 3.44 0.00 -1.26 -5.06 107.32 106.14 1wib s GLY 82 Ca -0.06 -1.20 -0.25 0.00 0.00 0.00 0.00 44.72 43.21 1wib s GLY 82 CO -0.06 -1.11 1.93 2.56 0.00 0.00 0.00 173.10 176.42 1wib s PRO 83 N -1.63 2.57 0.00 2.90 0.04 -1.26 -4.91 135.00 132.71 1wib s PRO 83 Ca 0.16 -0.17 -0.10 0.00 0.04 0.00 0.00 61.00 60.94 1wib s PRO 83 Cb -0.11 -4.97 0.01 0.00 0.04 0.00 0.00 34.50 29.47 1wib s PRO 83 CO 0.07 -3.29 0.19 0.45 0.04 0.00 0.00 177.00 174.47 1wib s SER 84 N 8.04 -0.04 0.45 6.66 0.15 -1.26 -5.17 113.70 122.54 1wib s SER 84 Ca 0.70 -0.14 0.02 0.00 0.70 0.00 0.00 55.95 57.22 1wib s SER 84 Cb -0.07 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1wib s SER 84 CO 0.02 -0.41 0.66 -0.94 1.20 0.00 0.00 173.24 173.77 1wib s SER 85 N -1.44 5.74 0.00 5.45 1.04 -1.26 -5.28 113.70 117.95 1wib s SER 85 Ca -0.14 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1wib s SER 85 Cb -0.06 -1.33 0.00 0.00 0.10 0.00 0.00 66.02 64.73 1wib s SER 85 CO 0.02 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.10