#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 1.69 -4.61 1.61 2.88 -1.26 -4.91 113.62 109.02 1wib n SER -5 Ca 0.00 0.29 -0.43 0.00 -1.33 0.00 0.00 58.87 57.40 1wib n SER -5 Cb 0.00 -0.68 -0.02 0.00 -0.75 0.00 0.00 64.21 62.76 1wib n SER -5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wib s SER -4 N -6.71 6.39 0.00 -3.46 0.15 -1.26 -4.10 113.70 104.71 1wib s SER -4 Ca -0.30 1.03 0.00 0.00 0.70 0.00 0.00 55.95 57.38 1wib s SER -4 Cb 0.09 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1wib s SER -4 CO 0.39 -1.35 0.00 0.61 1.20 0.00 0.00 173.24 174.09 1wib n GLY -3 N 4.87 0.77 3.53 9.45 0.00 -1.26 -5.13 105.19 117.41 1wib n GLY -3 Ca 0.17 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 1wib n GLY -3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wib s SER -2 N -1.47 4.22 -1.67 1.61 1.04 -1.26 -4.65 113.70 111.53 1wib s SER -2 Ca 0.00 -0.30 -0.13 0.00 0.48 0.00 0.00 55.95 56.00 1wib s SER -2 Cb 0.00 -0.84 0.13 0.00 0.10 0.00 0.00 66.02 65.41 1wib s SER -2 CO 0.00 0.26 0.33 -0.24 0.98 0.00 0.00 173.24 174.56 1wib n SER -1 N 1.44 -0.60 0.00 7.02 2.88 -1.26 -4.41 113.62 118.70 1wib n SER -1 Ca -0.15 -1.21 0.00 0.00 -1.33 0.00 0.00 58.87 56.18 1wib n SER -1 Cb 0.52 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 1wib n SER -1 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wib n GLY 1 N -1.67 -1.22 3.77 0.46 0.00 -1.26 -4.89 105.19 100.38 1wib n GLY 1 Ca -0.07 -1.26 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 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 0.00 3.26 0.61 1.61 0.04 -1.26 -4.79 135.00 134.48 1wib s PRO 2 Ca 0.00 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 62.45 1wib s PRO 2 Cb 0.00 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 1wib s PRO 2 CO 0.00 -0.91 1.12 -1.25 0.04 0.00 0.00 177.00 176.00 1wib s PRO 3 N -3.42 3.02 -0.28 0.56 0.04 -1.26 -5.02 135.00 128.64 1wib s PRO 3 Ca 0.72 1.48 -0.08 0.00 0.04 0.00 0.00 61.00 63.16 1wib s PRO 3 Cb -0.23 -1.97 0.13 0.00 0.04 0.00 0.00 34.50 32.47 1wib s PRO 3 CO 0.29 -1.09 0.59 0.15 0.04 0.00 0.00 177.00 176.98 1wib s LYS 4 N -3.77 0.52 -0.10 4.56 1.02 -1.26 -5.06 119.74 115.65 1wib s LYS 4 Ca 0.69 1.27 -0.26 0.00 0.02 0.00 0.00 55.97 57.69 1wib s LYS 4 Cb -0.22 0.67 -0.22 0.00 -0.52 0.00 0.00 37.83 37.53 1wib s LYS 4 CO 0.36 -0.30 0.88 0.27 -0.92 0.00 0.00 175.35 175.63 1wib h PHE 5 N 8.04 -0.02 -3.36 3.18 -0.00 -1.98 -3.39 116.94 119.41 1wib h PHE 5 Ca -0.18 -0.00 -0.73 0.00 -0.00 0.00 0.00 57.97 57.05 1wib h PHE 5 Cb 1.11 0.01 -0.33 0.00 -0.00 0.00 0.00 35.95 36.74 1wib h PHE 5 CO 0.17 0.76 0.07 -0.40 -0.00 0.00 0.00 178.31 178.90 1wib n ASP 6 N -4.71 4.59 -0.11 -0.68 5.75 -1.26 -4.68 116.55 115.44 1wib n ASP 6 Ca -0.09 -3.11 -0.13 0.00 -0.01 0.00 0.00 54.79 51.44 1wib n ASP 6 Cb 0.38 -1.14 -0.03 0.00 -1.03 0.00 0.00 41.12 39.30 1wib n ASP 6 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1wib h PRO 7 N 6.13 0.89 0.00 0.11 0.13 -1.98 -3.42 132.00 133.86 1wib h PRO 7 Ca 0.17 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1wib h PRO 7 Cb 0.82 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1wib h PRO 7 CO 0.91 1.12 -0.52 0.27 -0.23 0.00 0.00 178.00 179.55 1wib n ASN 8 N -4.11 0.41 -4.43 1.44 0.23 -1.26 -5.10 115.26 102.44 1wib n ASN 8 Ca -0.03 0.08 -0.23 0.00 -0.53 0.00 0.00 54.58 53.87 1wib n ASN 8 Cb 0.53 -0.11 -0.10 0.00 -2.08 0.00 0.00 39.78 38.02 1wib n ASN 8 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1wib s GLU 9 N -2.00 1.56 0.49 -3.83 -1.05 -1.26 -5.11 118.70 107.50 1wib s GLU 9 Ca 0.00 -1.70 -0.22 0.00 -0.15 0.00 0.00 54.97 52.90 1wib s GLU 9 Cb 0.00 -1.58 -0.08 0.00 -0.44 0.00 0.00 34.13 32.02 1wib s GLU 9 CO 0.00 0.29 1.05 0.28 0.95 0.00 0.00 175.26 177.83 1wib n VAL 10 N -0.49 2.91 -4.57 1.83 0.31 -1.26 -4.52 118.33 112.55 1wib n VAL 10 Ca -0.06 -0.50 -0.25 0.00 -0.01 0.00 0.00 64.34 63.51 1wib n VAL 10 Cb 0.60 -1.25 -0.14 0.00 -0.91 0.00 0.00 33.84 32.14 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 -2.33 1.35 -0.03 5.55 2.20 -1.26 -5.00 119.74 120.23 1wib s LYS 11 Ca 0.67 -1.00 -0.02 0.00 -0.36 0.00 0.00 55.97 55.26 1wib s LYS 11 Cb -0.49 -1.50 -0.04 0.00 -1.51 0.00 0.00 37.83 34.28 1wib s LYS 11 CO 0.54 0.38 0.13 0.08 -0.36 0.00 0.00 175.35 176.11 1wib s VAL 12 N -0.88 5.13 -0.05 4.02 1.01 -1.26 -4.08 120.40 124.29 1wib s VAL 12 Ca 0.07 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.89 1wib s VAL 12 Cb -0.09 -3.35 -0.00 0.00 0.00 0.00 0.00 36.38 32.94 1wib s VAL 12 CO 0.02 0.39 -0.18 -0.69 0.00 0.00 0.00 175.10 174.65 1wib s VAL 13 N -1.21 1.51 -0.18 2.92 1.01 -0.57 -4.99 120.40 118.90 1wib s VAL 13 Ca 0.23 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 1wib s VAL 13 Cb -0.12 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1wib s VAL 13 CO 0.14 0.43 0.10 -0.31 0.00 0.00 0.00 175.10 175.46 1wib s TYR 14 N 0.14 3.36 0.01 5.22 1.51 -1.26 -2.15 117.35 124.17 1wib s TYR 14 Ca -0.07 0.25 0.07 0.00 -1.01 0.00 0.00 57.07 56.31 1wib s TYR 14 Cb -0.13 -2.08 -0.02 0.00 -0.11 0.00 0.00 41.96 39.63 1wib s TYR 14 CO 0.03 0.31 -0.21 -0.51 -1.11 0.00 0.00 175.55 174.06 1wib s LEU 15 N 0.10 2.09 -0.31 -1.29 2.01 -1.26 -5.07 118.68 114.95 1wib s LEU 15 Ca 0.07 -0.43 -0.13 0.00 0.01 0.00 0.00 54.13 53.65 1wib s LEU 15 Cb -0.12 -1.04 -0.03 0.00 0.01 0.00 0.00 46.19 45.02 1wib s LEU 15 CO -0.00 0.22 0.26 -0.60 1.01 0.00 0.00 176.35 177.24 1wib s ARG 16 N -0.76 3.72 0.25 1.70 6.06 -1.26 -4.44 118.95 124.22 1wib s ARG 16 Ca 0.08 -0.42 -0.21 0.00 -2.50 0.00 0.00 55.73 52.68 1wib s ARG 16 Cb -0.08 -3.74 0.03 0.00 0.06 0.00 0.00 34.95 31.22 1wib s ARG 16 CO 0.00 -0.35 0.69 0.00 -2.50 0.00 0.00 175.30 173.14 1wib s THR 18 N -3.89 4.55 -0.44 0.00 2.01 -1.26 -4.41 115.64 112.20 1wib s THR 18 Ca 0.09 1.34 -0.27 0.00 0.31 0.00 0.00 61.69 63.16 1wib s THR 18 Cb -0.05 -3.90 -0.07 0.00 0.01 0.00 0.00 72.50 68.49 1wib s THR 18 CO 0.03 0.28 2.38 0.61 -0.69 0.00 0.00 174.62 177.22 1wib n GLY 19 N 0.92 0.37 1.18 4.40 0.00 -0.97 -2.79 105.19 108.31 1wib n GLY 19 Ca -0.03 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 6.00 0.77 3.01 -0.02 0.00 -1.26 -1.24 105.19 112.44 1wib n GLY 20 Ca 0.37 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1wib n GLY 20 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wib s GLU 21 N -2.79 2.12 0.34 1.61 2.56 -1.12 -4.83 118.70 116.60 1wib s GLU 21 Ca 0.00 -2.50 -0.24 0.00 0.00 0.00 0.00 54.97 52.24 1wib s GLU 21 Cb 0.00 -3.45 -0.15 0.00 2.00 0.00 0.00 34.13 32.52 1wib s GLU 21 CO 0.00 -1.11 0.32 0.28 -0.56 0.00 0.00 175.26 174.19 1wib n VAL 22 N 3.39 1.28 -1.05 3.70 0.31 -1.26 -4.66 118.33 120.05 1wib n VAL 22 Ca 0.06 -0.50 -0.39 0.00 -0.01 0.00 0.00 64.34 63.49 1wib n VAL 22 Cb 0.35 -0.12 -0.04 0.00 -0.91 0.00 0.00 33.84 33.12 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 2.11 -0.64 3.22 2.92 0.00 -1.26 -4.68 105.19 106.86 1wib n GLY 23 Ca 0.13 0.42 -0.39 0.00 0.00 0.00 0.00 46.02 46.18 1wib n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wib n ALA 24 N 0.63 3.37 -3.56 4.61 0.00 -1.26 -4.18 120.51 120.13 1wib n ALA 24 Ca 0.14 -3.42 -0.20 0.00 0.00 0.00 0.00 53.44 49.96 1wib n ALA 24 Cb 0.11 -3.58 0.06 0.00 0.00 0.00 0.00 19.45 16.04 1wib n ALA 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wib n THR 25 N 6.36 -5.70 -2.38 0.00 -1.04 -1.26 -3.28 114.28 106.98 1wib n THR 25 Ca 0.49 -0.66 -0.06 0.00 -2.04 0.00 0.00 64.05 61.78 1wib n THR 25 Cb 0.43 -4.57 0.03 0.00 -1.82 0.00 0.00 70.33 64.40 1wib n THR 25 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1wib n SER 26 N -3.07 -2.52 -0.04 8.00 2.88 -1.26 -4.98 113.62 112.63 1wib n SER 26 Ca -0.25 -0.23 -0.08 0.00 -1.33 0.00 0.00 58.87 56.98 1wib n SER 26 Cb 0.66 -2.14 -0.14 0.00 -0.75 0.00 0.00 64.21 61.84 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 -2.10 1.55 0.64 -1.46 0.00 -1.20 -4.07 120.51 113.87 1wib n ALA 27 Ca -0.08 -0.88 0.12 0.00 0.00 0.00 0.00 53.44 52.61 1wib n ALA 27 Cb 0.55 -0.70 0.23 0.00 0.00 0.00 0.00 19.45 19.53 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 -2.96 0.66 0.26 0.00 4.77 -1.26 -3.95 117.00 114.53 1wib n LEU 28 Ca -0.20 0.26 -0.17 0.00 -0.03 0.00 0.00 56.01 55.88 1wib n LEU 28 Cb 1.05 -0.22 -0.08 0.00 -2.33 0.00 0.00 43.42 41.84 1wib n LEU 28 CO 0.44 -0.05 0.60 0.00 -1.33 0.00 0.00 177.39 177.06 1wib h ALA 29 N 2.59 -0.88 0.00 -1.18 0.00 -1.97 -1.31 119.26 116.50 1wib h ALA 29 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1wib h ALA 29 Cb 0.71 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1wib h ALA 29 CO 0.00 -1.03 -0.09 -1.00 0.00 0.00 0.00 179.25 177.13 1wib h PRO 30 N -0.84 0.00 -0.13 0.00 0.13 -1.79 0.83 132.00 130.20 1wib h PRO 30 Ca -0.04 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.03 1wib h PRO 30 Cb 0.73 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 1wib h PRO 30 CO -0.04 0.09 -0.17 0.87 -0.23 0.00 0.00 178.00 178.52 1wib h LYS 31 N 0.00 0.34 -0.21 0.86 1.57 -1.57 -3.20 116.57 114.36 1wib h LYS 31 Ca -0.00 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1wib h LYS 31 Cb 0.56 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1wib h LYS 31 CO 0.01 0.76 0.00 -0.89 -0.57 0.00 0.00 179.45 178.76 1wib n ILE 32 N -4.54 0.26 0.05 1.86 5.41 -0.54 -4.54 119.36 117.32 1wib n ILE 32 Ca -0.06 -0.58 -0.16 0.00 1.00 0.00 0.00 62.75 62.95 1wib n ILE 32 Cb 0.38 1.06 -0.10 0.00 -0.71 0.00 0.00 39.64 40.27 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 4.68 -1.10 2.00 7.39 0.00 -0.82 0.24 103.07 115.46 1wib h GLY 33 Ca 0.00 0.66 -0.08 0.00 0.00 0.00 0.00 47.33 47.90 1wib h GLY 33 CO 0.00 -0.23 -0.39 -0.56 0.00 0.00 0.00 176.54 175.36 1wib h PRO 34 N -0.67 0.00 0.29 4.80 0.13 -1.80 -3.22 132.00 131.53 1wib h PRO 34 Ca 0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 1wib h PRO 34 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1wib h PRO 34 CO -0.36 0.39 -0.14 -0.07 -0.23 0.00 0.00 178.00 177.59 1wib h LEU 35 N 0.00 -0.33 0.00 1.56 4.07 -1.63 -3.48 115.31 115.50 1wib h LEU 35 Ca -0.00 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.82 1wib h LEU 35 Cb 0.79 0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.61 1wib h LEU 35 CO 0.05 -0.05 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 1wib n GLY 36 N -0.63 3.03 3.24 0.83 0.00 0.01 -5.11 105.19 106.56 1wib n GLY 36 Ca -0.10 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.44 -4.87 0.99 4.32 -1.26 -4.93 117.00 108.80 1wib n LEU 37 Ca 0.00 0.18 -0.35 0.00 -0.02 0.00 0.00 56.01 55.82 1wib n LEU 37 Cb 0.00 -0.97 -0.05 0.00 -1.62 0.00 0.00 43.42 40.77 1wib n LEU 37 CO 0.00 -4.10 0.02 -0.44 -1.22 0.00 0.00 177.39 171.66 1wib s SER 38 N -1.61 6.60 0.52 -1.43 0.01 -1.26 -4.72 113.70 111.80 1wib s SER 38 Ca 0.50 0.71 0.31 0.00 1.31 0.00 0.00 55.95 58.78 1wib s SER 38 Cb -0.16 -2.15 1.28 0.00 0.21 0.00 0.00 66.02 65.21 1wib s SER 38 CO 0.71 0.22 1.96 1.55 0.41 0.00 0.00 173.24 178.10 1wib h PRO 39 N 3.94 0.00 0.16 12.44 0.13 -1.93 -3.01 132.00 143.73 1wib h PRO 39 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 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 0.66 0.08 -0.08 0.87 -0.23 0.00 0.00 178.00 179.29 1wib h LYS 40 N 0.00 -0.21 -0.30 0.86 1.79 -1.96 0.42 116.57 117.17 1wib h LYS 40 Ca -0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1wib h LYS 40 Cb 0.55 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 1wib h LYS 40 CO 0.01 0.16 0.20 -0.22 -1.08 0.00 0.00 179.45 178.52 1wib h LYS 41 N -0.64 0.40 -0.31 3.15 3.11 -1.98 0.11 116.57 120.42 1wib h LYS 41 Ca -0.02 -0.03 -0.08 0.00 -2.81 0.00 0.00 60.65 57.71 1wib h LYS 41 Cb 0.47 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.61 1wib h LYS 41 CO 0.04 0.28 -0.12 0.28 -2.81 0.00 0.00 179.45 177.11 1wib h VAL 42 N 0.40 1.29 -0.77 2.00 2.07 -1.58 -2.57 116.25 117.09 1wib h VAL 42 Ca 0.11 -1.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 1wib h VAL 42 Cb -0.03 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1wib h VAL 42 CO -0.02 0.39 0.32 1.23 0.02 0.00 0.00 177.57 179.51 1wib h GLY 43 N 0.38 1.22 1.58 2.17 0.00 0.04 -2.54 103.07 105.92 1wib h GLY 43 Ca 0.07 -0.64 -0.08 0.00 0.00 0.00 0.00 47.33 46.68 1wib h GLY 43 CO 0.04 0.61 -0.15 -1.80 0.00 0.00 0.00 176.54 175.23 1wib h ASP 44 N 1.11 0.49 -0.34 0.19 3.58 -0.73 -1.47 116.42 119.26 1wib h ASP 44 Ca 0.26 -0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 1wib h ASP 44 Cb 0.18 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 1wib h ASP 44 CO -0.02 0.67 0.20 -0.78 -2.88 0.00 0.00 179.24 176.43 1wib h ASP 45 N 0.46 0.41 -0.18 2.28 3.58 -1.03 -0.47 116.42 121.47 1wib h ASP 45 Ca 0.08 -0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.40 1wib h ASP 45 Cb 0.54 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 1wib h ASP 45 CO 0.03 0.34 -0.18 0.40 -2.88 0.00 0.00 179.24 176.95 1wib h ILE 46 N 0.43 1.33 -0.37 2.25 5.03 -1.35 -1.71 117.51 123.12 1wib h ILE 46 Ca 0.12 -1.34 0.05 0.00 -0.12 0.00 0.00 64.86 63.57 1wib h ILE 46 Cb 0.01 1.80 -0.05 0.00 -3.03 0.00 0.00 36.82 35.55 1wib h ILE 46 CO -0.02 0.40 0.10 0.00 -0.68 0.00 0.00 178.15 177.95 1wib h ALA 47 N 0.63 0.41 -0.58 1.87 0.00 -1.16 -1.27 119.26 119.17 1wib h ALA 47 Ca 0.03 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1wib h ALA 47 Cb 0.72 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1wib h ALA 47 CO 0.05 -0.30 -0.00 -0.22 0.00 0.00 0.00 179.25 178.77 1wib h LYS 48 N 0.24 1.01 -0.89 0.00 1.63 -1.10 -2.48 116.57 114.97 1wib h LYS 48 Ca 0.17 -0.31 0.03 0.00 -0.85 0.00 0.00 60.65 59.69 1wib h LYS 48 Cb 0.18 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.66 1wib h LYS 48 CO -0.21 0.99 0.59 0.00 -3.45 0.00 0.00 179.45 177.37 1wib h ALA 49 N 1.06 1.42 -0.65 5.00 0.00 -0.67 -1.24 119.26 124.18 1wib h ALA 49 Ca 0.17 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1wib h ALA 49 Cb 0.54 -0.33 -0.11 0.00 0.00 0.00 0.00 17.79 17.89 1wib h ALA 49 CO 0.03 0.50 0.23 0.25 0.00 0.00 0.00 179.25 180.26 1wib n THR 50 N -4.43 2.62 -0.08 0.00 -2.24 -0.54 -4.42 114.28 105.18 1wib n THR 50 Ca 0.11 -1.40 -0.12 0.00 -2.27 0.00 0.00 64.05 60.37 1wib n THR 50 Cb 0.08 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 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 3.06 0.91 2.00 3.38 0.00 -0.77 0.31 103.07 111.96 1wib h GLY 51 Ca 0.22 -0.97 -0.10 0.00 0.00 0.00 0.00 47.33 46.48 1wib h GLY 51 CO 0.64 0.87 -0.47 -1.80 0.00 0.00 0.00 176.54 175.79 1wib h ASP 52 N 0.67 0.00 -1.00 0.19 3.58 -1.78 -3.23 116.42 114.85 1wib h ASP 52 Ca 0.04 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 57.01 1wib h ASP 52 Cb 1.02 0.00 -0.42 0.00 1.72 0.00 0.00 39.33 41.65 1wib h ASP 52 CO 0.10 0.47 -0.90 -2.67 -2.88 0.00 0.00 179.24 173.35 1wib n TRP 53 N -3.87 2.45 -2.22 0.28 2.14 -1.16 -5.08 117.44 109.98 1wib n TRP 53 Ca -0.01 -2.61 -0.38 0.00 2.07 0.00 0.00 57.50 56.57 1wib n TRP 53 Cb 0.50 -0.24 -0.01 0.00 -0.81 0.00 0.00 31.31 30.75 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 -3.53 3.88 0.00 -2.67 -2.85 0.11 -2.94 119.74 111.74 1wib s LYS 54 Ca 0.42 1.88 0.00 0.00 -1.00 0.00 0.00 55.97 57.27 1wib s LYS 54 Cb 0.40 -2.56 0.00 0.00 -2.06 0.00 0.00 37.83 33.61 1wib s LYS 54 CO -0.05 -0.48 0.00 0.41 0.10 0.00 0.00 175.35 175.33 1wib n GLY 55 N 0.57 2.41 3.91 0.59 0.00 -0.37 -5.00 105.19 107.30 1wib n GLY 55 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 4.33 -0.00 0.99 1.02 -1.15 -4.79 118.68 119.08 1wib s LEU 56 Ca 0.00 0.40 -0.29 0.00 0.02 0.00 0.00 54.13 54.26 1wib s LEU 56 Cb 0.00 -3.06 -0.03 0.00 0.02 0.00 0.00 46.19 43.12 1wib s LEU 56 CO 0.00 0.13 0.95 0.00 0.02 0.00 0.00 176.35 177.46 1wib s ARG 57 N -2.51 4.55 0.07 1.70 1.04 -1.26 -2.29 118.95 120.26 1wib s ARG 57 Ca 0.37 1.37 -0.13 0.00 -1.04 0.00 0.00 55.73 56.30 1wib s ARG 57 Cb -0.13 -3.46 0.02 0.00 -2.04 0.00 0.00 34.95 29.34 1wib s ARG 57 CO 0.26 -0.03 0.29 0.96 -0.04 0.00 0.00 175.30 176.73 1wib s ILE 58 N 0.97 0.10 -0.17 4.99 -5.25 -1.26 -4.98 121.20 115.59 1wib s ILE 58 Ca 0.50 -0.81 -0.11 0.00 -0.99 0.00 0.00 60.65 59.24 1wib s ILE 58 Cb -0.21 -1.10 -0.05 0.00 2.95 0.00 0.00 42.46 44.06 1wib s ILE 58 CO 0.27 -0.44 0.21 -0.89 -1.79 0.00 0.00 174.94 172.29 1wib s THR 59 N -3.19 5.37 -0.01 8.37 2.01 -1.26 -4.69 115.64 122.24 1wib s THR 59 Ca -0.00 0.36 0.08 0.00 0.31 0.00 0.00 61.69 62.43 1wib s THR 59 Cb 0.01 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.96 1wib s THR 59 CO -0.07 0.44 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.37 1wib s VAL 60 N 0.24 2.27 -0.29 3.82 1.01 -1.26 -2.91 120.40 123.28 1wib s VAL 60 Ca 0.12 -1.12 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 1wib s VAL 60 Cb -0.12 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 1wib s VAL 60 CO 0.01 0.52 0.11 -0.54 0.00 0.00 0.00 175.10 175.20 1wib s LYS 61 N -0.83 3.40 -0.31 2.72 1.02 -0.30 -4.01 119.74 121.43 1wib s LYS 61 Ca 0.11 -0.66 -0.10 0.00 0.02 0.00 0.00 55.97 55.34 1wib s LYS 61 Cb -0.10 -3.44 -0.01 0.00 -0.52 0.00 0.00 37.83 33.76 1wib s LYS 61 CO 0.00 -0.34 0.17 -0.51 -0.92 0.00 0.00 175.35 173.75 1wib s LEU 62 N 1.59 4.17 -0.11 3.17 1.43 -0.92 -3.06 118.68 124.96 1wib s LEU 62 Ca 0.05 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 1wib s LEU 62 Cb -0.16 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 1wib s LEU 62 CO 0.05 -0.20 -0.19 -0.89 0.23 0.00 0.00 176.35 175.35 1wib s THR 63 N 1.64 2.51 -0.24 5.49 2.01 -1.13 -1.51 115.64 124.40 1wib s THR 63 Ca 0.05 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.11 1wib s THR 63 Cb -0.17 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 1wib s THR 63 CO 0.07 0.55 0.10 -0.63 -0.69 0.00 0.00 174.62 174.01 1wib s ILE 64 N 0.31 4.65 -0.12 1.82 -1.09 -1.26 -1.98 121.20 123.55 1wib s ILE 64 Ca -0.15 -0.06 -0.04 0.00 -2.23 0.00 0.00 60.65 58.17 1wib s ILE 64 Cb -0.17 -3.17 0.06 0.00 -1.58 0.00 0.00 42.46 37.60 1wib s ILE 64 CO 0.07 0.34 0.24 -1.58 -1.23 0.00 0.00 174.94 172.78 1wib s GLN 65 N 1.38 0.12 -1.34 2.79 0.74 -0.43 -4.62 119.66 118.30 1wib s GLN 65 Ca 0.06 0.69 -0.07 0.00 0.05 0.00 0.00 55.36 56.09 1wib s GLN 65 Cb -0.15 -0.10 0.02 0.00 1.10 0.00 0.00 33.01 33.89 1wib s GLN 65 CO 0.05 -0.28 1.07 0.09 -0.55 0.00 0.00 175.29 175.66 1wib n ASN 66 N 5.28 -4.55 -2.29 6.67 4.13 -1.26 -1.49 115.26 121.75 1wib n ASN 66 Ca -0.07 -0.62 -0.19 0.00 1.68 0.00 0.00 54.58 55.38 1wib n ASN 66 Cb 0.50 -4.80 0.00 0.00 -1.54 0.00 0.00 39.78 33.94 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 -4.67 -2.31 -4.88 3.52 5.12 -1.26 -4.99 116.66 107.18 1wib n ARG 67 Ca -0.09 0.88 -0.26 0.00 -1.93 0.00 0.00 57.85 56.44 1wib n ARG 67 Cb 0.59 -5.44 -0.15 0.00 -1.16 0.00 0.00 32.46 26.30 1wib n ARG 67 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1wib s GLN 68 N -5.11 1.54 -0.13 5.56 -1.52 -0.56 -5.03 119.66 114.41 1wib s GLN 68 Ca 0.08 -0.75 -0.03 0.00 -1.95 0.00 0.00 55.36 52.70 1wib s GLN 68 Cb -0.03 -1.53 -0.03 0.00 -0.22 0.00 0.00 33.01 31.20 1wib s GLN 68 CO 0.10 0.41 -0.03 0.00 -0.25 0.00 0.00 175.29 175.52 1wib s ALA 69 N -0.54 3.06 0.02 6.09 0.00 -1.26 -1.32 121.76 127.81 1wib s ALA 69 Ca 0.07 -0.82 0.09 0.00 0.00 0.00 0.00 51.96 51.30 1wib s ALA 69 Cb -0.08 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 1wib s ALA 69 CO -0.00 0.33 -0.26 -0.65 0.00 0.00 0.00 175.76 175.17 1wib s GLN 70 N -0.01 1.88 -0.05 0.00 1.11 -0.84 -4.98 119.66 116.78 1wib s GLN 70 Ca 0.01 -1.04 0.06 0.00 0.01 0.00 0.00 55.36 54.40 1wib s GLN 70 Cb -0.13 -1.97 -0.01 0.00 -1.01 0.00 0.00 33.01 29.89 1wib s GLN 70 CO 0.03 0.52 -0.24 0.96 0.01 0.00 0.00 175.29 176.57 1wib s ILE 71 N -0.74 1.93 -0.12 1.08 -4.36 -1.26 -2.86 121.20 114.88 1wib s ILE 71 Ca 0.11 -1.00 -0.10 0.00 -0.26 0.00 0.00 60.65 59.40 1wib s ILE 71 Cb -0.10 -1.64 0.04 0.00 1.25 0.00 0.00 42.46 42.01 1wib s ILE 71 CO 0.01 0.54 0.32 -0.70 0.24 0.00 0.00 174.94 175.35 1wib s GLU 72 N -0.16 0.34 -0.21 0.37 2.56 -1.17 -4.97 118.70 115.45 1wib s GLU 72 Ca -0.03 0.51 -0.10 0.00 0.00 0.00 0.00 54.97 55.35 1wib s GLU 72 Cb -0.13 0.10 -0.05 0.00 2.00 0.00 0.00 34.13 36.05 1wib s GLU 72 CO 0.03 -0.08 0.15 0.08 -0.56 0.00 0.00 175.26 174.88 1wib s VAL 73 N 0.54 5.38 0.33 3.70 1.01 -1.26 -1.15 120.40 128.94 1wib s VAL 73 Ca -0.03 0.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.90 1wib s VAL 73 Cb -0.05 -3.49 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 1wib s VAL 73 CO -0.03 0.40 0.95 0.68 0.00 0.00 0.00 175.10 177.10 1wib s VAL 74 N 0.66 4.19 0.00 2.92 -7.23 -1.15 -4.99 120.40 114.80 1wib s VAL 74 Ca 0.08 1.81 -0.24 0.00 -1.81 0.00 0.00 61.98 61.82 1wib s VAL 74 Cb -0.12 -4.00 -0.18 0.00 0.56 0.00 0.00 36.38 32.64 1wib s VAL 74 CO 0.01 0.14 1.29 1.55 -0.31 0.00 0.00 175.10 177.78 1wib h PRO 75 N 3.15 0.14 -1.34 4.82 0.13 -1.98 -3.45 132.00 133.46 1wib h PRO 75 Ca -0.47 -0.07 0.14 0.00 -0.87 0.00 0.00 66.00 64.73 1wib h PRO 75 Cb 1.19 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.03 1wib h PRO 75 CO 0.65 0.59 0.57 0.45 -0.23 0.00 0.00 178.00 180.03 1wib s SER 76 N -5.86 -0.30 0.10 1.44 0.15 -1.26 -5.13 113.70 102.83 1wib s SER 76 Ca -0.15 0.51 -0.28 0.00 0.70 0.00 0.00 55.95 56.73 1wib s SER 76 Cb 0.03 0.94 -0.15 0.00 -1.71 0.00 0.00 66.02 65.13 1wib s SER 76 CO 0.71 -0.08 0.63 0.00 1.20 0.00 0.00 173.24 175.69 1wib n ALA 77 N 2.98 -2.83 -2.29 5.45 0.00 -1.26 -4.96 120.51 117.59 1wib n ALA 77 Ca -0.16 0.43 -0.17 0.00 0.00 0.00 0.00 53.44 53.54 1wib n ALA 77 Cb 0.57 -1.42 -0.09 0.00 0.00 0.00 0.00 19.45 18.51 1wib n ALA 77 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wib s SER 78 N -0.50 1.15 0.11 0.00 0.01 -1.26 -5.07 113.70 108.15 1wib s SER 78 Ca 0.64 -1.51 -0.29 0.00 1.31 0.00 0.00 55.95 56.09 1wib s SER 78 Cb -0.91 0.37 -0.09 0.00 0.21 0.00 0.00 66.02 65.61 1wib s SER 78 CO 0.48 -0.87 1.61 0.00 0.41 0.00 0.00 173.24 174.86 1wib h ALA 79 N 2.33 -0.60 -5.79 1.44 0.00 -2.10 -3.46 119.26 111.08 1wib h ALA 79 Ca -0.34 -0.06 -0.37 0.00 0.00 0.00 0.00 54.91 54.15 1wib h ALA 79 Cb 1.25 0.56 0.14 0.00 0.00 0.00 0.00 17.79 19.74 1wib h ALA 79 CO 0.52 -0.90 -0.75 1.28 0.00 0.00 0.00 179.25 179.40 1wib n LEU 80 N -5.43 -3.67 -3.67 0.00 4.77 -1.26 -5.00 117.00 102.73 1wib n LEU 80 Ca -0.07 -0.63 -0.15 0.00 -0.03 0.00 0.00 56.01 55.13 1wib n LEU 80 Cb 0.34 -3.02 -0.14 0.00 -2.33 0.00 0.00 43.42 38.27 1wib n LEU 80 CO 0.22 0.46 -0.17 -0.55 -1.33 0.00 0.00 177.39 176.02 1wib s SER 81 N -4.02 0.42 0.07 -1.43 0.15 -1.26 -5.16 113.70 102.47 1wib s SER 81 Ca 0.20 0.48 0.09 0.00 0.70 0.00 0.00 55.95 57.42 1wib s SER 81 Cb -0.09 0.50 -0.03 0.00 -1.71 0.00 0.00 66.02 64.69 1wib s SER 81 CO 0.75 -0.23 -0.24 -0.83 1.20 0.00 0.00 173.24 173.89 1wib s GLY 82 N 2.22 1.32 0.00 9.45 0.00 -1.26 -5.01 107.32 114.03 1wib s GLY 82 Ca 0.00 -1.23 0.14 0.00 0.00 0.00 0.00 44.72 43.64 1wib s GLY 82 CO -0.07 -1.16 1.44 -1.55 0.00 0.00 0.00 173.10 171.75 1wib n PRO 83 N 1.56 0.09 -1.60 2.90 -0.04 -1.26 -4.83 135.00 131.82 1wib n PRO 83 Ca -0.17 0.21 -0.63 0.00 -0.04 0.00 0.00 63.50 62.87 1wib n PRO 83 Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 1wib n PRO 83 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wib n SER 84 N -1.41 1.37 -4.71 3.54 7.64 -1.26 -4.88 113.62 113.90 1wib n SER 84 Ca 0.05 0.99 -0.39 0.00 1.01 0.00 0.00 58.87 60.53 1wib n SER 84 Cb 0.15 -0.96 -0.06 0.00 -1.01 0.00 0.00 64.21 62.33 1wib n SER 84 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wib s SER 85 N 4.15 6.76 0.00 6.43 0.15 -1.26 -5.26 113.70 124.68 1wib s SER 85 Ca 1.08 0.92 0.17 0.00 0.70 0.00 0.00 55.95 58.82 1wib s SER 85 Cb -1.38 -2.33 0.14 0.00 -1.71 0.00 0.00 66.02 60.73 1wib s SER 85 CO 0.73 -0.08 1.04 0.61 1.20 0.00 0.00 173.24 176.74