#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wib n SER -5 N 0.00 -4.33 -0.03 1.61 7.64 -1.26 -4.90 113.62 112.35 1wib n SER -5 Ca 0.00 -0.65 -0.05 0.00 1.01 0.00 0.00 58.87 59.18 1wib n SER -5 Cb 0.00 -4.67 -0.03 0.00 -1.01 0.00 0.00 64.21 58.50 1wib n SER -5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wib n SER -4 N -3.01 2.54 -2.83 6.43 3.41 -1.26 -4.86 113.62 114.04 1wib n SER -4 Ca -0.09 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1wib n SER -4 Cb 0.59 -0.13 0.05 0.00 -0.26 0.00 0.00 64.21 64.46 1wib n SER -4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wib n GLY -3 N 2.99 1.78 3.17 5.00 0.00 -1.26 -5.08 105.19 111.78 1wib n GLY -3 Ca -0.12 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 1wib n GLY -3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wib s SER -2 N -3.73 2.55 -0.19 1.61 0.15 -1.26 -5.12 113.70 107.70 1wib s SER -2 Ca 0.27 -0.44 -0.27 0.00 0.70 0.00 0.00 55.95 56.21 1wib s SER -2 Cb 0.33 -0.93 0.08 0.00 -1.71 0.00 0.00 66.02 63.78 1wib s SER -2 CO -0.04 0.15 0.75 -0.44 1.20 0.00 0.00 173.24 174.86 1wib s SER -1 N 0.21 -0.67 0.86 5.45 0.01 -1.26 -4.95 113.70 113.35 1wib s SER -1 Ca -0.10 1.09 -0.11 0.00 1.31 0.00 0.00 55.95 58.14 1wib s SER -1 Cb -0.15 1.04 0.12 0.00 0.21 0.00 0.00 66.02 67.24 1wib s SER -1 CO 0.05 -0.37 1.16 -0.83 0.41 0.00 0.00 173.24 173.66 1wib s GLY 1 N -0.24 1.85 0.52 3.44 0.00 -1.26 -4.97 107.32 106.66 1wib s GLY 1 Ca -0.03 0.65 -0.20 0.00 0.00 0.00 0.00 44.72 45.13 1wib s GLY 1 CO 0.03 1.06 1.14 2.56 0.00 0.00 0.00 173.10 177.89 1wib s PRO 2 N -4.49 3.47 0.30 2.90 0.04 -1.26 -5.00 135.00 130.96 1wib s PRO 2 Ca 0.68 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 63.09 1wib s PRO 2 Cb -0.24 -2.12 -0.10 0.00 0.04 0.00 0.00 34.50 32.08 1wib s PRO 2 CO 0.55 -0.76 1.24 -1.25 0.04 0.00 0.00 177.00 176.81 1wib s PRO 3 N -3.12 4.46 -0.35 0.56 0.04 -1.26 -5.02 135.00 130.30 1wib s PRO 3 Ca 0.70 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.80 1wib s PRO 3 Cb -0.25 -3.13 0.11 0.00 0.04 0.00 0.00 34.50 31.27 1wib s PRO 3 CO 0.29 -0.06 0.13 0.15 0.04 0.00 0.00 177.00 177.55 1wib s LYS 4 N -1.47 1.00 -0.48 4.56 3.01 -1.26 -4.99 119.74 120.11 1wib s LYS 4 Ca 0.48 -1.46 -0.02 0.00 -1.01 0.00 0.00 55.97 53.96 1wib s LYS 4 Cb -0.37 -2.30 0.22 0.00 -1.01 0.00 0.00 37.83 34.37 1wib s LYS 4 CO 0.47 -1.02 2.28 1.97 0.51 0.00 0.00 175.35 179.56 1wib n PHE 5 N 4.41 2.01 -4.27 3.18 1.16 -1.26 -4.89 117.46 117.80 1wib n PHE 5 Ca 0.02 -2.19 -0.18 0.00 -1.87 0.00 0.00 57.45 53.23 1wib n PHE 5 Cb 0.40 -1.21 -0.14 0.00 -1.61 0.00 0.00 39.48 36.92 1wib n PHE 5 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 1wib s ASP 6 N -0.25 1.15 -0.02 5.98 -4.77 -1.26 -4.99 116.67 112.51 1wib s ASP 6 Ca 0.49 -0.33 -0.26 0.00 -3.30 0.00 0.00 52.55 49.15 1wib s ASP 6 Cb 0.36 -0.08 -0.20 0.00 -1.09 0.00 0.00 42.92 41.91 1wib s ASP 6 CO -0.12 0.01 1.25 1.55 0.70 0.00 0.00 175.17 178.56 1wib h PRO 7 N 5.32 -0.03 0.00 2.11 0.13 -2.02 -3.45 132.00 134.06 1wib h PRO 7 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1wib h PRO 7 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wib h PRO 7 CO 0.46 0.44 0.00 0.09 -0.23 0.00 0.00 178.00 178.76 1wib n ASN 8 N -4.88 0.48 -3.65 1.44 3.02 -1.26 -5.14 115.26 105.27 1wib n ASN 8 Ca -0.08 0.15 -0.20 0.00 -0.03 0.00 0.00 54.58 54.41 1wib n ASN 8 Cb 0.25 -0.08 -0.08 0.00 -0.61 0.00 0.00 39.78 39.25 1wib n ASN 8 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1wib s GLU 9 N -1.62 1.74 0.01 3.52 -1.05 -1.26 -5.17 118.70 114.88 1wib s GLU 9 Ca 0.00 -2.02 0.06 0.00 -0.15 0.00 0.00 54.97 52.86 1wib s GLU 9 Cb 0.00 0.07 -0.03 0.00 -0.44 0.00 0.00 34.13 33.73 1wib s GLU 9 CO 0.00 -0.58 -0.16 0.08 0.95 0.00 0.00 175.26 175.55 1wib s VAL 10 N -3.46 2.91 -0.19 1.83 1.01 -1.26 -4.89 120.40 116.35 1wib s VAL 10 Ca 0.36 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1wib s VAL 10 Cb 0.03 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.23 1wib s VAL 10 CO 0.23 0.42 -0.17 -0.75 0.00 0.00 0.00 175.10 174.83 1wib s LYS 11 N -1.22 3.01 0.01 2.72 2.47 -1.26 -5.11 119.74 120.36 1wib s LYS 11 Ca 0.14 -0.82 0.08 0.00 -1.56 0.00 0.00 55.97 53.81 1wib s LYS 11 Cb -0.11 -2.66 -0.03 0.00 -1.46 0.00 0.00 37.83 33.57 1wib s LYS 11 CO 0.04 -0.23 -0.24 0.08 0.16 0.00 0.00 175.35 175.16 1wib s VAL 12 N 1.31 2.25 -0.02 4.02 1.01 -1.26 -2.80 120.40 124.91 1wib s VAL 12 Ca 0.04 -1.20 0.06 0.00 0.00 0.00 0.00 61.98 60.88 1wib s VAL 12 Cb -0.14 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 1wib s VAL 12 CO -0.11 0.47 -0.19 -0.69 0.00 0.00 0.00 175.10 174.58 1wib s VAL 13 N -0.73 1.52 -0.08 2.92 1.01 0.68 -4.94 120.40 120.78 1wib s VAL 13 Ca 0.11 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1wib s VAL 13 Cb -0.10 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 1wib s VAL 13 CO 0.01 0.43 -0.18 -0.31 0.00 0.00 0.00 175.10 175.05 1wib s TYR 14 N -0.33 2.64 -0.05 5.22 1.51 -1.26 -0.48 117.35 124.60 1wib s TYR 14 Ca 0.04 -0.51 -0.06 0.00 -1.01 0.00 0.00 57.07 55.53 1wib s TYR 14 Cb -0.09 -1.68 0.01 0.00 -0.11 0.00 0.00 41.96 40.10 1wib s TYR 14 CO 0.00 -0.08 0.17 -0.51 -1.11 0.00 0.00 175.55 174.02 1wib s LEU 15 N -0.21 1.38 -0.15 -1.29 1.02 -1.24 -5.06 118.68 113.13 1wib s LEU 15 Ca -0.01 0.21 -0.14 0.00 0.02 0.00 0.00 54.13 54.22 1wib s LEU 15 Cb -0.13 0.62 -0.05 0.00 0.02 0.00 0.00 46.19 46.65 1wib s LEU 15 CO 0.03 -0.14 0.30 0.00 0.02 0.00 0.00 176.35 176.56 1wib s ARG 16 N -0.28 4.22 0.23 1.70 1.04 -1.26 -4.19 118.95 120.41 1wib s ARG 16 Ca -0.04 0.11 -0.20 0.00 -1.04 0.00 0.00 55.73 54.57 1wib s ARG 16 Cb -0.03 -3.41 0.03 0.00 -2.04 0.00 0.00 34.95 29.50 1wib s ARG 16 CO 0.01 0.27 0.63 0.00 -0.04 0.00 0.00 175.30 176.17 1wib s THR 18 N -3.88 4.91 0.17 0.00 2.01 -1.26 -4.27 115.64 113.31 1wib s THR 18 Ca 0.10 1.73 -0.33 0.00 0.31 0.00 0.00 61.69 63.50 1wib s THR 18 Cb -0.03 -4.17 -0.16 0.00 0.01 0.00 0.00 72.50 68.15 1wib s THR 18 CO 0.01 0.24 1.11 0.61 -0.69 0.00 0.00 174.62 175.90 1wib n GLY 19 N 2.88 -0.10 3.78 4.40 0.00 -1.17 -2.78 105.19 112.19 1wib n GLY 19 Ca 0.01 0.53 -0.26 0.00 0.00 0.00 0.00 46.02 46.30 1wib n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wib n GLY 20 N 1.95 -1.17 2.27 -0.02 0.00 -1.26 -2.49 105.19 104.46 1wib n GLY 20 Ca 0.15 0.66 -0.26 0.00 0.00 0.00 0.00 46.02 46.58 1wib n GLY 20 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wib n GLU 21 N -2.40 2.25 -1.48 1.61 2.13 -1.12 -4.75 120.64 116.88 1wib n GLU 21 Ca -0.30 -2.32 -0.51 0.00 0.66 0.00 0.00 57.16 54.69 1wib n GLU 21 Cb 0.70 -1.97 -0.04 0.00 0.27 0.00 0.00 31.44 30.39 1wib n GLU 21 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1wib n VAL 22 N 0.21 1.27 0.00 6.31 0.31 -1.26 -4.66 118.33 120.50 1wib n VAL 22 Ca 0.44 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1wib n VAL 22 Cb 0.55 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.22 1wib n VAL 22 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wib n GLY 23 N 1.81 -1.67 3.23 2.92 0.00 -1.26 -5.16 105.19 105.07 1wib n GLY 23 Ca 0.17 0.69 -0.11 0.00 0.00 0.00 0.00 46.02 46.78 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 -1.00 -0.57 -0.55 4.61 0.00 -1.26 -5.12 121.76 117.87 1wib s ALA 24 Ca 0.00 -0.13 -0.17 0.00 0.00 0.00 0.00 51.96 51.66 1wib s ALA 24 Cb 0.00 0.34 0.11 0.00 0.00 0.00 0.00 23.12 23.57 1wib s ALA 24 CO 0.00 -0.42 0.57 0.95 0.00 0.00 0.00 175.76 176.86 1wib s THR 25 N -2.72 5.04 0.00 0.00 -4.23 -1.26 -4.77 115.64 107.70 1wib s THR 25 Ca -0.04 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1wib s THR 25 Cb -0.00 -4.36 0.00 0.00 1.34 0.00 0.00 72.50 69.48 1wib s THR 25 CO -0.05 -0.92 0.00 -0.24 -0.54 0.00 0.00 174.62 172.88 1wib n SER 26 N 5.72 2.90 0.06 3.99 2.88 -1.26 -4.48 113.62 123.43 1wib n SER 26 Ca -0.11 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1wib n SER 26 Cb 0.42 0.05 -0.06 0.00 -0.75 0.00 0.00 64.21 63.87 1wib n SER 26 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wib h ALA 27 N 0.00 0.65 0.00 -1.46 0.00 -2.03 -3.33 119.26 113.08 1wib h ALA 27 Ca 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 54.91 54.10 1wib h ALA 27 Cb 0.70 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1wib h ALA 27 CO 0.00 0.89 -0.98 -0.07 0.00 0.00 0.00 179.25 179.10 1wib h LEU 28 N 0.00 0.00 0.22 0.00 3.38 -1.92 -3.32 115.31 113.66 1wib h LEU 28 Ca -0.12 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1wib h LEU 28 Cb 1.56 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.28 1wib h LEU 28 CO 0.06 0.13 -0.41 0.00 0.09 0.00 0.00 178.44 178.30 1wib h ALA 29 N 1.87 -0.79 0.00 1.53 0.00 -1.78 0.61 119.26 120.70 1wib h ALA 29 Ca -0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1wib h ALA 29 Cb 1.13 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 1wib h ALA 29 CO 0.01 -1.00 -0.14 -1.00 0.00 0.00 0.00 179.25 177.12 1wib h PRO 30 N -0.71 0.00 -0.07 0.00 0.13 -1.75 1.00 132.00 130.60 1wib h PRO 30 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 1wib h PRO 30 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1wib h PRO 30 CO -0.18 0.14 -0.24 0.87 -0.23 0.00 0.00 178.00 178.37 1wib h LYS 31 N 0.00 0.29 0.00 0.86 1.79 -1.49 -3.24 116.57 114.77 1wib h LYS 31 Ca -0.00 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 1wib h LYS 31 Cb 0.60 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1wib h LYS 31 CO 0.02 0.84 -0.48 -0.89 -1.08 0.00 0.00 179.45 177.86 1wib n ILE 32 N -4.51 0.14 -0.41 1.86 5.41 0.14 -4.35 119.36 117.64 1wib n ILE 32 Ca -0.08 -0.11 -0.11 0.00 1.00 0.00 0.00 62.75 63.46 1wib n ILE 32 Cb 0.45 0.01 -0.09 0.00 -0.71 0.00 0.00 39.64 39.29 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 4.81 -0.81 1.99 7.39 0.00 -0.82 0.23 103.07 115.86 1wib h GLY 33 Ca 0.00 0.79 -0.10 0.00 0.00 0.00 0.00 47.33 48.02 1wib h GLY 33 CO 0.00 0.04 -0.49 -0.56 0.00 0.00 0.00 176.54 175.53 1wib h PRO 34 N -0.01 0.01 0.75 4.80 0.13 -1.77 -3.26 132.00 132.66 1wib h PRO 34 Ca 0.17 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.25 1wib h PRO 34 Cb 0.42 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.56 1wib h PRO 34 CO -0.94 0.49 -0.36 -0.07 -0.23 0.00 0.00 178.00 176.89 1wib h LEU 35 N 0.01 -0.85 0.00 1.56 4.07 -0.87 -3.48 115.31 115.74 1wib h LEU 35 Ca -0.00 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1wib h LEU 35 Cb 0.86 0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1wib h LEU 35 CO 0.06 -0.58 0.00 0.61 -1.08 0.00 0.00 178.44 177.45 1wib n GLY 36 N -1.37 3.20 3.04 0.83 0.00 0.11 -5.10 105.19 105.89 1wib n GLY 36 Ca -0.14 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.37 -4.65 0.99 4.32 -1.26 -4.95 117.00 110.08 1wib n LEU 37 Ca 0.00 -0.39 -0.33 0.00 -0.02 0.00 0.00 56.01 55.27 1wib n LEU 37 Cb 0.00 -0.78 -0.10 0.00 -1.62 0.00 0.00 43.42 40.92 1wib n LEU 37 CO 0.00 -3.29 -0.34 -0.94 -1.22 0.00 0.00 177.39 171.59 1wib s SER 38 N -2.01 4.96 0.29 -1.43 1.04 -1.26 -4.76 113.70 110.53 1wib s SER 38 Ca 0.38 -0.02 0.08 0.00 0.48 0.00 0.00 55.95 56.87 1wib s SER 38 Cb -0.06 -1.27 0.45 0.00 0.10 0.00 0.00 66.02 65.23 1wib s SER 38 CO 0.36 0.31 1.68 1.55 0.98 0.00 0.00 173.24 178.12 1wib h PRO 39 N 4.61 0.16 0.12 4.02 0.13 -1.93 -2.59 132.00 136.52 1wib h PRO 39 Ca -0.49 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 64.55 1wib h PRO 39 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1wib h PRO 39 CO 0.55 0.60 -0.06 -0.22 -0.23 0.00 0.00 178.00 178.65 1wib h LYS 40 N 0.13 -0.16 -0.33 0.86 3.64 -1.96 0.49 116.57 119.24 1wib h LYS 40 Ca 0.01 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1wib h LYS 40 Cb 0.88 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 1wib h LYS 40 CO 0.07 0.15 0.21 -0.22 -2.27 0.00 0.00 179.45 177.39 1wib h LYS 41 N -0.47 0.44 -0.47 1.90 3.64 -1.99 -0.79 116.57 118.83 1wib h LYS 41 Ca -0.02 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 1wib h LYS 41 Cb 0.38 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1wib h LYS 41 CO 0.03 0.31 -0.20 0.28 -2.27 0.00 0.00 179.45 177.59 1wib h VAL 42 N 0.44 1.27 -0.77 2.00 2.07 -1.47 -2.65 116.25 117.15 1wib h VAL 42 Ca 0.12 -1.37 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 1wib h VAL 42 Cb -0.03 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1wib h VAL 42 CO -0.03 0.47 0.37 1.23 0.02 0.00 0.00 177.57 179.64 1wib h GLY 43 N 0.82 1.17 1.00 2.17 0.00 0.26 -2.58 103.07 105.91 1wib h GLY 43 Ca 0.11 -0.57 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 1wib h GLY 43 CO 0.06 0.54 -0.10 -1.80 0.00 0.00 0.00 176.54 175.24 1wib h ASP 44 N 1.09 0.82 -0.83 0.19 3.58 -1.07 -1.85 116.42 118.35 1wib h ASP 44 Ca 0.27 -0.36 0.06 0.00 0.42 0.00 0.00 57.03 57.42 1wib h ASP 44 Cb 0.10 -0.22 -0.06 0.00 1.72 0.00 0.00 39.33 40.87 1wib h ASP 44 CO -0.03 0.99 0.51 0.44 -2.88 0.00 0.00 179.24 178.26 1wib h ASP 45 N 0.63 0.79 -0.28 2.28 5.19 -1.20 -0.32 116.42 123.52 1wib h ASP 45 Ca 0.11 0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 56.42 1wib h ASP 45 Cb 0.63 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 40.00 1wib h ASP 45 CO 0.04 0.50 -0.30 0.40 -3.12 0.00 0.00 179.24 176.76 1wib h ILE 46 N 0.92 1.30 -0.58 0.35 2.04 -1.35 -2.30 117.51 117.89 1wib h ILE 46 Ca 0.37 -1.47 0.01 0.00 1.00 0.00 0.00 64.86 64.77 1wib h ILE 46 Cb 0.19 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 1wib h ILE 46 CO -0.18 0.47 0.37 0.00 0.00 0.00 0.00 178.15 178.81 1wib h ALA 47 N 0.69 0.74 -0.34 1.87 0.00 -0.79 0.16 119.26 121.60 1wib h ALA 47 Ca 0.04 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1wib h ALA 47 Cb 0.87 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1wib h ALA 47 CO 0.07 0.13 -0.14 1.57 0.00 0.00 0.00 179.25 180.89 1wib h LYS 48 N 0.75 0.60 -0.22 0.00 2.10 -1.06 -0.73 116.57 118.00 1wib h LYS 48 Ca 0.22 -0.19 -0.18 0.00 -2.00 0.00 0.00 60.65 58.51 1wib h LYS 48 Cb -0.04 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.24 1wib h LYS 48 CO -0.07 0.72 -0.55 0.00 -2.00 0.00 0.00 179.45 177.55 1wib h ALA 49 N 1.31 0.36 -0.57 0.07 0.00 -0.82 -3.10 119.26 116.51 1wib h ALA 49 Ca 0.10 -0.51 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 1wib h ALA 49 Cb 0.55 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.20 1wib h ALA 49 CO 0.03 0.58 0.20 0.25 0.00 0.00 0.00 179.25 180.31 1wib n THR 50 N -4.08 2.36 0.03 0.00 -2.24 0.51 -4.38 114.28 106.49 1wib n THR 50 Ca -0.06 -1.24 -0.05 0.00 -2.27 0.00 0.00 64.05 60.43 1wib n THR 50 Cb 0.62 -0.44 0.16 0.00 -2.10 0.00 0.00 70.33 68.58 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 3.23 0.47 2.00 3.38 0.00 -1.05 -0.76 103.07 110.33 1wib h GLY 51 Ca 0.20 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1wib h GLY 51 CO 0.57 0.41 -0.36 -0.55 0.00 0.00 0.00 176.54 176.61 1wib h ASP 52 N 0.36 0.00 -1.20 0.19 3.32 -1.83 -3.22 116.42 114.04 1wib h ASP 52 Ca 0.03 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.59 1wib h ASP 52 Cb 0.85 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.98 1wib h ASP 52 CO 0.07 0.36 -0.91 -2.67 -1.72 0.00 0.00 179.24 174.37 1wib n TRP 53 N -3.74 2.50 -2.61 4.55 2.14 -1.08 -5.06 117.44 114.15 1wib n TRP 53 Ca -0.01 -2.85 -0.43 0.00 2.07 0.00 0.00 57.50 56.28 1wib n TRP 53 Cb 0.45 -0.21 -0.02 0.00 -0.81 0.00 0.00 31.31 30.71 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 -3.44 4.05 0.00 -2.67 -2.85 -0.31 -3.44 119.74 111.08 1wib s LYS 54 Ca 0.40 1.11 0.00 0.00 -1.00 0.00 0.00 55.97 56.48 1wib s LYS 54 Cb 0.41 -3.76 0.00 0.00 -2.06 0.00 0.00 37.83 32.43 1wib s LYS 54 CO -0.08 -0.93 0.00 0.41 0.10 0.00 0.00 175.35 174.85 1wib n GLY 55 N 3.92 0.90 3.88 0.59 0.00 -1.04 -4.93 105.19 108.52 1wib n GLY 55 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 4.01 -0.09 0.99 1.43 -1.22 -4.65 118.68 119.14 1wib s LEU 56 Ca 0.00 0.94 -0.30 0.00 -1.03 0.00 0.00 54.13 53.75 1wib s LEU 56 Cb 0.00 -3.77 -0.02 0.00 0.03 0.00 0.00 46.19 42.44 1wib s LEU 56 CO 0.00 -0.23 1.02 -0.60 0.23 0.00 0.00 176.35 176.77 1wib s ARG 57 N -3.44 4.43 0.08 1.70 3.52 -1.26 -3.03 118.95 120.94 1wib s ARG 57 Ca 0.48 1.42 -0.06 0.00 -0.13 0.00 0.00 55.73 57.44 1wib s ARG 57 Cb -0.11 -3.54 -0.01 0.00 -1.56 0.00 0.00 34.95 29.73 1wib s ARG 57 CO 0.27 -0.31 0.11 0.96 -0.81 0.00 0.00 175.30 175.53 1wib s ILE 58 N 1.95 0.17 -0.15 4.11 -5.25 -1.26 -5.04 121.20 115.73 1wib s ILE 58 Ca 0.49 -1.39 -0.06 0.00 -0.99 0.00 0.00 60.65 58.70 1wib s ILE 58 Cb -0.19 -1.40 -0.04 0.00 2.95 0.00 0.00 42.46 43.78 1wib s ILE 58 CO 0.19 -0.77 0.06 -0.89 -1.79 0.00 0.00 174.94 171.75 1wib s THR 59 N -3.87 4.82 -0.01 8.37 2.01 -1.26 -4.43 115.64 121.26 1wib s THR 59 Ca 0.06 -0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.08 1wib s THR 59 Cb 0.06 -3.13 -0.01 0.00 0.01 0.00 0.00 72.50 69.43 1wib s THR 59 CO -0.11 0.53 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.48 1wib s VAL 60 N -0.22 1.40 -0.22 3.82 1.01 -1.26 -3.21 120.40 121.73 1wib s VAL 60 Ca 0.08 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 1wib s VAL 60 Cb -0.12 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1wib s VAL 60 CO 0.01 0.39 0.02 -1.59 0.00 0.00 0.00 175.10 173.94 1wib s LYS 61 N -0.42 3.62 -0.29 2.72 -2.85 -1.10 -3.71 119.74 117.70 1wib s LYS 61 Ca 0.07 -0.51 -0.08 0.00 -1.00 0.00 0.00 55.97 54.45 1wib s LYS 61 Cb -0.07 -3.15 -0.00 0.00 -2.06 0.00 0.00 37.83 32.54 1wib s LYS 61 CO -0.01 -0.06 0.10 -0.51 0.10 0.00 0.00 175.35 174.97 1wib s LEU 62 N 1.22 3.85 -0.23 2.77 1.43 0.37 -3.69 118.68 124.39 1wib s LEU 62 Ca 0.04 -0.53 -0.05 0.00 -1.03 0.00 0.00 54.13 52.55 1wib s LEU 62 Cb -0.15 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 1wib s LEU 62 CO 0.02 -0.16 -0.01 -0.89 0.23 0.00 0.00 176.35 175.54 1wib s THR 63 N 1.57 3.63 -0.26 5.49 2.01 -1.23 -0.23 115.64 126.62 1wib s THR 63 Ca 0.04 -0.44 -0.09 0.00 0.31 0.00 0.00 61.69 61.51 1wib s THR 63 Cb -0.17 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 1wib s THR 63 CO 0.04 0.38 0.14 -0.63 -0.69 0.00 0.00 174.62 173.85 1wib s ILE 64 N 1.51 4.92 -0.22 1.82 -1.09 -1.12 -3.29 121.20 123.73 1wib s ILE 64 Ca 0.06 0.03 -0.04 0.00 -2.23 0.00 0.00 60.65 58.47 1wib s ILE 64 Cb -0.15 -3.32 0.10 0.00 -1.58 0.00 0.00 42.46 37.52 1wib s ILE 64 CO -0.01 0.31 0.26 -1.58 -1.23 0.00 0.00 174.94 172.69 1wib s GLN 65 N 1.54 0.23 -0.63 2.79 2.00 -1.12 -4.51 119.66 119.96 1wib s GLN 65 Ca 0.07 0.27 -0.01 0.00 -2.00 0.00 0.00 55.36 53.68 1wib s GLN 65 Cb -0.15 -1.02 -0.02 0.00 0.80 0.00 0.00 33.01 32.63 1wib s GLN 65 CO 0.07 -0.67 0.54 0.09 -0.50 0.00 0.00 175.29 174.82 1wib n ASN 66 N 5.33 -3.08 -3.95 6.67 4.13 -1.26 -3.41 115.26 119.68 1wib n ASN 66 Ca -0.05 -0.36 -0.28 0.00 1.68 0.00 0.00 54.58 55.57 1wib n ASN 66 Cb 0.50 -3.09 0.00 0.00 -1.54 0.00 0.00 39.78 35.65 1wib n ASN 66 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1wib n ARG 67 N -2.62 -4.23 -4.39 3.52 1.74 -1.26 -4.97 116.66 104.45 1wib n ARG 67 Ca -0.11 0.50 -0.19 0.00 -0.77 0.00 0.00 57.85 57.27 1wib n ARG 67 Cb 0.58 -5.05 -0.15 0.00 -1.02 0.00 0.00 32.46 26.82 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 -6.53 0.84 -0.16 5.56 -1.52 -1.22 -5.05 119.66 111.57 1wib s GLN 68 Ca 0.34 -0.32 -0.01 0.00 -1.95 0.00 0.00 55.36 53.42 1wib s GLN 68 Cb -0.18 -0.80 -0.01 0.00 -0.22 0.00 0.00 33.01 31.80 1wib s GLN 68 CO 0.86 0.16 -0.11 0.00 -0.25 0.00 0.00 175.29 175.96 1wib s ALA 69 N -0.05 2.67 -0.05 6.09 0.00 -1.26 -2.81 121.76 126.35 1wib s ALA 69 Ca 0.01 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.04 1wib s ALA 69 Cb -0.06 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.69 1wib s ALA 69 CO -0.00 0.00 -0.23 -1.14 0.00 0.00 0.00 175.76 174.39 1wib s GLN 70 N 0.75 2.25 -0.08 0.00 2.00 -1.21 -5.03 119.66 118.34 1wib s GLN 70 Ca -0.05 -0.84 0.02 0.00 -2.00 0.00 0.00 55.36 52.50 1wib s GLN 70 Cb -0.15 -1.97 -0.02 0.00 0.80 0.00 0.00 33.01 31.67 1wib s GLN 70 CO 0.01 0.39 -0.13 0.96 -0.50 0.00 0.00 175.29 176.02 1wib s ILE 71 N -0.22 3.13 -0.12 -2.34 -4.36 -1.26 -3.50 121.20 112.53 1wib s ILE 71 Ca -0.00 -0.67 -0.13 0.00 -0.26 0.00 0.00 60.65 59.58 1wib s ILE 71 Cb -0.12 -2.27 0.03 0.00 1.25 0.00 0.00 42.46 41.36 1wib s ILE 71 CO 0.02 0.56 0.36 -0.70 0.24 0.00 0.00 174.94 175.43 1wib s GLU 72 N -0.30 0.46 -0.15 0.37 2.12 -1.24 -5.05 118.70 114.92 1wib s GLU 72 Ca 0.03 0.42 -0.08 0.00 0.36 0.00 0.00 54.97 55.70 1wib s GLU 72 Cb -0.13 0.22 -0.04 0.00 0.26 0.00 0.00 34.13 34.44 1wib s GLU 72 CO 0.03 -0.07 0.12 0.08 -0.54 0.00 0.00 175.26 174.88 1wib s VAL 73 N -0.01 5.35 0.10 3.70 1.01 -1.26 -2.72 120.40 126.58 1wib s VAL 73 Ca -0.02 0.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.00 1wib s VAL 73 Cb -0.03 -3.36 -0.06 0.00 0.00 0.00 0.00 36.38 32.93 1wib s VAL 73 CO 0.01 0.56 0.46 0.68 0.00 0.00 0.00 175.10 176.81 1wib s VAL 74 N -0.52 5.00 0.25 2.92 -7.23 -1.20 -4.99 120.40 114.64 1wib s VAL 74 Ca 0.12 0.61 0.20 0.00 -1.81 0.00 0.00 61.98 61.10 1wib s VAL 74 Cb -0.12 -3.68 0.17 0.00 0.56 0.00 0.00 36.38 33.31 1wib s VAL 74 CO 0.02 0.27 1.83 1.55 -0.31 0.00 0.00 175.10 178.46 1wib h PRO 75 N 3.66 0.00 -6.12 4.82 0.13 -1.99 -3.46 132.00 129.05 1wib h PRO 75 Ca -0.49 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.95 1wib h PRO 75 Cb 1.19 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.41 1wib h PRO 75 CO 0.66 0.31 -0.12 0.45 -0.23 0.00 0.00 178.00 179.07 1wib n SER 76 N -3.65 -0.07 -3.55 1.44 2.88 -1.26 -4.97 113.62 104.45 1wib n SER 76 Ca -0.01 1.14 -0.11 0.00 -1.33 0.00 0.00 58.87 58.57 1wib n SER 76 Cb 0.43 -1.04 -0.03 0.00 -0.75 0.00 0.00 64.21 62.82 1wib n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wib s ALA 77 N -0.54 -1.30 0.16 -1.46 0.00 -1.26 -4.87 121.76 112.49 1wib s ALA 77 Ca 0.73 0.19 -0.05 0.00 0.00 0.00 0.00 51.96 52.83 1wib s ALA 77 Cb -0.98 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 1wib s ALA 77 CO 0.56 -0.75 0.19 0.45 0.00 0.00 0.00 175.76 176.20 1wib s SER 78 N -2.79 0.15 -1.02 0.00 0.15 -1.26 -5.07 113.70 103.86 1wib s SER 78 Ca 0.03 -1.06 -0.25 0.00 0.70 0.00 0.00 55.95 55.37 1wib s SER 78 Cb -0.00 0.38 -0.13 0.00 -1.71 0.00 0.00 66.02 64.56 1wib s SER 78 CO -0.10 -0.84 2.08 0.00 1.20 0.00 0.00 173.24 175.58 1wib s ALA 79 N -4.02 1.19 -0.91 5.45 0.00 -1.26 -4.84 121.76 117.38 1wib s ALA 79 Ca 0.22 -1.57 -0.04 0.00 0.00 0.00 0.00 51.96 50.58 1wib s ALA 79 Cb 0.05 -4.64 0.23 0.00 0.00 0.00 0.00 23.12 18.76 1wib s ALA 79 CO 0.02 -5.74 0.81 -0.51 0.00 0.00 0.00 175.76 170.34 1wib s LEU 80 N 13.19 5.73 -0.64 0.00 1.43 -1.26 -5.01 118.68 132.12 1wib s LEU 80 Ca 0.77 -3.56 -0.16 0.00 -1.03 0.00 0.00 54.13 50.14 1wib s LEU 80 Cb -0.06 -1.98 0.15 0.00 0.03 0.00 0.00 46.19 44.34 1wib s LEU 80 CO 0.10 -0.24 0.63 -0.55 0.23 0.00 0.00 176.35 176.52 1wib s SER 81 N 0.33 6.35 0.00 2.29 0.15 -1.26 -4.80 113.70 116.77 1wib s SER 81 Ca 0.27 -1.97 0.00 0.00 0.70 0.00 0.00 55.95 54.95 1wib s SER 81 Cb -0.09 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 1wib s SER 81 CO -0.11 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.11 1wib n GLY 82 N 4.94 -0.89 3.56 9.45 0.00 -1.26 -5.08 105.19 115.91 1wib n GLY 82 Ca -0.05 0.53 -0.27 0.00 0.00 0.00 0.00 46.02 46.24 1wib n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wib s PRO 83 N 0.00 2.55 -0.29 1.61 0.04 -1.26 -4.83 135.00 132.81 1wib s PRO 83 Ca 0.00 -0.45 -0.20 0.00 0.04 0.00 0.00 61.00 60.38 1wib s PRO 83 Cb 0.00 -5.10 0.17 0.00 0.04 0.00 0.00 34.50 29.62 1wib s PRO 83 CO 0.00 -3.49 1.20 0.45 0.04 0.00 0.00 177.00 175.20 1wib s SER 84 N 7.75 -0.24 0.11 6.66 0.15 -1.26 -5.05 113.70 121.81 1wib s SER 84 Ca 0.70 0.42 -0.22 0.00 0.70 0.00 0.00 55.95 57.55 1wib s SER 84 Cb -0.06 0.77 -0.05 0.00 -1.71 0.00 0.00 66.02 64.98 1wib s SER 84 CO 0.02 -0.07 1.11 -0.24 1.20 0.00 0.00 173.24 175.26 1wib n SER 85 N 2.62 -0.75 -0.74 5.45 2.88 -1.26 -5.18 113.62 116.65 1wib n SER 85 Ca -0.15 1.28 0.13 0.00 -1.33 0.00 0.00 58.87 58.80 1wib n SER 85 Cb 0.57 -0.17 0.30 0.00 -0.75 0.00 0.00 64.21 64.15 1wib n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42