#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h47 h ALA 10 N 0.00 0.07 0.00 4.61 0.00 -2.10 -3.50 119.26 118.35 2h47 h ALA 10 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2h47 h ALA 10 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2h47 h ALA 10 CO 0.00 0.16 0.00 -0.25 0.00 0.00 0.00 179.25 179.16 2h47 n ASP 11 N -4.44 0.00 -3.97 0.00 8.00 -1.26 -5.02 116.55 109.87 2h47 n ASP 11 Ca -0.09 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.12 2h47 n ASP 11 Cb 0.52 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.46 2h47 n ASP 11 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2h47 s HIS 12 N -0.68 1.93 -0.41 1.24 5.04 -1.26 -5.01 115.29 116.14 2h47 s HIS 12 Ca 0.00 -1.09 0.01 0.00 -1.54 0.00 0.00 55.06 52.43 2h47 s HIS 12 Cb 0.00 -1.46 0.05 0.00 0.04 0.00 0.00 32.58 31.21 2h47 s HIS 12 CO 0.00 -0.62 0.77 0.44 -2.34 0.00 0.00 174.74 172.99 2h47 n ILE 13 N 4.83 0.88 1.66 0.89 -5.35 -1.26 -0.04 119.36 120.97 2h47 n ILE 13 Ca -0.15 0.52 0.15 0.00 -0.27 0.00 0.00 62.75 63.00 2h47 n ILE 13 Cb 0.49 -1.52 0.72 0.00 -1.74 0.00 0.00 39.64 37.59 2h47 n ILE 13 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2h47 n SER 14 N -1.30 0.56 -0.83 7.28 3.41 -1.26 -3.54 113.62 117.94 2h47 n SER 14 Ca -0.00 -0.98 0.07 0.00 -0.26 0.00 0.00 58.87 57.70 2h47 n SER 14 Cb 0.28 -0.03 0.19 0.00 -0.26 0.00 0.00 64.21 64.40 2h47 n SER 14 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2h47 n LEU 15 N -0.67 3.15 -3.73 1.04 4.77 0.95 -4.85 117.00 117.66 2h47 n LEU 15 Ca 0.19 -1.93 -0.30 0.00 -0.03 0.00 0.00 56.01 53.95 2h47 n LEU 15 Cb 0.23 -0.28 -0.15 0.00 -2.33 0.00 0.00 43.42 40.89 2h47 n LEU 15 CO 0.19 0.78 -0.34 0.21 -1.33 0.00 0.00 177.39 176.90 2h47 s ASN 16 N -1.02 3.86 0.21 -1.43 3.04 -1.23 -5.03 114.94 113.34 2h47 s ASN 16 Ca 0.30 -1.50 -0.10 0.00 0.04 0.00 0.00 52.86 51.60 2h47 s ASN 16 Cb 0.16 -0.82 0.29 0.00 -1.54 0.00 0.00 41.25 39.34 2h47 s ASN 16 CO 0.21 -0.40 1.70 -0.65 -3.04 0.00 0.00 177.10 174.92 2h47 h PRO 17 N 8.12 0.24 0.00 0.43 0.11 -1.88 -1.83 132.00 137.18 2h47 h PRO 17 Ca -0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2h47 h PRO 17 Cb 1.03 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2h47 h PRO 17 CO 0.45 0.16 0.00 -0.25 -0.21 0.00 0.00 178.00 178.15 2h47 n ASP 18 N -5.14 0.00 -1.07 -2.05 8.00 -1.26 -2.03 116.55 112.99 2h47 n ASP 18 Ca 0.09 0.18 -0.02 0.00 0.71 0.00 0.00 54.79 55.75 2h47 n ASP 18 Cb 0.32 -0.28 0.21 0.00 -0.02 0.00 0.00 41.12 41.35 2h47 n ASP 18 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2h47 n LEU 19 N -1.28 4.01 0.00 0.64 4.77 -0.69 -4.99 117.00 119.46 2h47 n LEU 19 Ca 0.03 -3.64 0.00 0.00 -0.03 0.00 0.00 56.01 52.38 2h47 n LEU 19 Cb 0.05 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 2h47 n LEU 19 CO 0.05 1.15 0.00 0.00 -1.33 0.00 0.00 177.39 177.26 2h47 n ALA 20 N -1.04 0.00 -2.67 -1.18 0.00 -0.86 -5.02 120.51 109.74 2h47 n ALA 20 Ca 0.31 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.34 2h47 n ALA 20 Cb 1.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.40 2h47 n ALA 20 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2h47 s ASN 21 N -0.81 6.86 0.38 0.00 0.02 -1.26 -4.94 114.94 115.19 2h47 s ASN 21 Ca 0.00 1.06 0.21 0.00 -1.02 0.00 0.00 52.86 53.11 2h47 s ASN 21 Cb 0.00 -2.41 1.23 0.00 0.02 0.00 0.00 41.25 40.09 2h47 s ASN 21 CO 0.00 -0.32 1.65 -0.33 0.02 0.00 0.00 177.10 178.12 2h47 h GLU 22 N 7.32 0.21 -0.87 -0.60 5.08 -1.96 0.35 114.58 124.10 2h47 h GLU 22 Ca -0.31 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 57.86 2h47 h GLU 22 Cb 1.14 -0.05 -0.11 0.00 0.50 0.00 0.00 28.75 30.24 2h47 h GLU 22 CO 0.81 0.14 0.23 -3.47 -1.00 0.00 0.00 179.01 175.71 2h47 n ASP 23 N -4.92 3.82 -0.08 1.42 2.03 -1.26 -1.30 116.55 116.27 2h47 n ASP 23 Ca 0.34 -2.85 -0.14 0.00 0.52 0.00 0.00 54.79 52.65 2h47 n ASP 23 Cb 1.16 -0.68 -0.06 0.00 -0.72 0.00 0.00 41.12 40.82 2h47 n ASP 23 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2h47 n GLU 24 N -0.11 0.35 0.18 -0.67 2.13 0.12 -4.07 120.64 118.57 2h47 n GLU 24 Ca 0.30 0.12 0.04 0.00 0.66 0.00 0.00 57.16 58.27 2h47 n GLU 24 Cb 1.09 -1.16 0.33 0.00 0.27 0.00 0.00 31.44 31.97 2h47 n GLU 24 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 2h47 h VAL 25 N -0.32 1.08 -0.04 6.31 -1.51 -1.48 -2.05 116.25 118.24 2h47 h VAL 25 Ca -0.37 -1.54 0.00 0.00 -1.23 0.00 0.00 66.70 63.56 2h47 h VAL 25 Cb 1.42 1.88 0.00 0.00 -2.13 0.00 0.00 31.29 32.46 2h47 h VAL 25 CO -0.16 0.41 0.00 0.59 -1.23 0.00 0.00 177.57 177.18 2h47 n ASN 26 N -3.73 0.45 -4.90 4.19 4.13 -0.42 -4.83 115.26 110.16 2h47 n ASN 26 Ca -0.01 -1.43 -0.31 0.00 1.68 0.00 0.00 54.58 54.51 2h47 n ASN 26 Cb 0.49 -0.02 -0.05 0.00 -1.54 0.00 0.00 39.78 38.66 2h47 n ASN 26 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2h47 s SER 27 N -1.66 6.49 0.15 6.41 0.15 -0.77 -4.96 113.70 119.52 2h47 s SER 27 Ca 0.32 0.61 0.24 0.00 0.70 0.00 0.00 55.95 57.82 2h47 s SER 27 Cb 0.15 -2.10 0.91 0.00 -1.71 0.00 0.00 66.02 63.28 2h47 s SER 27 CO 0.25 0.02 1.73 0.00 1.20 0.00 0.00 173.24 176.45 2h47 n ASP 29 N -1.98 2.24 -4.76 0.00 8.00 -1.26 -4.78 116.55 114.01 2h47 n ASP 29 Ca 0.04 -1.82 -0.41 0.00 0.71 0.00 0.00 54.79 53.31 2h47 n ASP 29 Cb 0.31 -0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 2h47 n ASP 29 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2h47 s TYR 30 N -1.68 2.85 0.30 1.24 6.04 -1.06 -4.88 117.35 120.17 2h47 s TYR 30 Ca 0.34 1.00 0.06 0.00 0.04 0.00 0.00 57.07 58.51 2h47 s TYR 30 Cb 0.19 -3.93 0.78 0.00 -1.04 0.00 0.00 41.96 37.96 2h47 s TYR 30 CO 0.27 -2.98 1.74 0.11 -1.54 0.00 0.00 175.55 173.15 2h47 h TRP 31 N 4.44 0.96 -0.00 4.97 5.08 -1.90 -2.13 115.95 127.36 2h47 h TRP 31 Ca -0.48 0.04 0.00 0.00 1.08 0.00 0.00 58.89 59.53 2h47 h TRP 31 Cb 1.22 -0.27 0.00 0.00 -3.00 0.00 0.00 29.16 27.11 2h47 h TRP 31 CO 0.58 0.11 -0.00 2.89 -1.28 0.00 0.00 178.44 180.74 2h47 n ARG 32 N -4.87 0.86 -1.05 0.12 1.85 -1.26 -3.56 116.66 108.75 2h47 n ARG 32 Ca 0.24 -0.03 -0.14 0.00 -1.00 0.00 0.00 57.85 56.92 2h47 n ARG 32 Cb 0.65 -1.50 0.22 0.00 -1.05 0.00 0.00 32.46 30.78 2h47 n ARG 32 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2h47 n HIS 33 N -1.05 2.58 0.30 2.89 8.25 -0.80 -4.69 115.22 122.70 2h47 n HIS 33 Ca 0.21 -1.45 0.06 0.00 -0.26 0.00 0.00 57.72 56.28 2h47 n HIS 33 Cb 0.15 -0.78 0.26 0.00 1.12 0.00 0.00 29.99 30.74 2h47 n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2h47 n ALA 35 N -1.56 2.36 -2.54 0.00 0.00 -1.24 -1.21 120.51 116.32 2h47 n ALA 35 Ca 0.02 -2.00 -0.40 0.00 0.00 0.00 0.00 53.44 51.06 2h47 n ALA 35 Cb 0.11 -0.50 -0.05 0.00 0.00 0.00 0.00 19.45 19.01 2h47 n ALA 35 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2h47 s VAL 36 N -1.14 4.85 -0.35 0.00 1.01 -1.11 -4.81 120.40 118.85 2h47 s VAL 36 Ca 0.20 1.64 -0.00 0.00 0.00 0.00 0.00 61.98 63.82 2h47 s VAL 36 Cb 0.20 -4.12 0.12 0.00 0.00 0.00 0.00 36.38 32.58 2h47 s VAL 36 CO -0.04 0.30 0.17 -0.62 0.00 0.00 0.00 175.10 174.91 2h47 s ASP 37 N 0.37 3.53 0.00 3.32 2.15 -1.25 -0.59 116.67 124.20 2h47 s ASP 37 Ca 0.40 -1.99 0.00 0.00 0.43 0.00 0.00 52.55 51.39 2h47 s ASP 37 Cb -0.20 -0.68 0.00 0.00 -0.30 0.00 0.00 42.92 41.74 2h47 s ASP 37 CO 0.22 -0.35 0.00 0.61 -0.17 0.00 0.00 175.17 175.48 2h47 n GLY 38 N 4.34 -0.59 3.29 2.66 0.00 -0.63 -4.97 105.19 109.29 2h47 n GLY 38 Ca 0.04 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 2h47 n GLY 38 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2h47 s PHE 39 N -4.00 2.77 -0.30 1.61 0.40 -1.26 -0.31 117.98 116.88 2h47 s PHE 39 Ca 0.00 -0.94 -0.28 0.00 -0.60 0.00 0.00 56.93 55.11 2h47 s PHE 39 Cb 0.00 -1.86 -0.03 0.00 0.51 0.00 0.00 43.02 41.64 2h47 s PHE 39 CO 0.00 -0.40 1.96 -0.51 0.70 0.00 0.00 175.22 176.97 2h47 s LEU 40 N 0.66 3.47 0.53 -0.37 1.43 -0.83 0.62 118.68 124.19 2h47 s LEU 40 Ca -0.08 1.48 0.31 0.00 -1.03 0.00 0.00 54.13 54.81 2h47 s LEU 40 Cb -0.16 -3.47 1.45 0.00 0.03 0.00 0.00 46.19 44.05 2h47 s LEU 40 CO 0.02 -1.84 1.88 0.00 0.23 0.00 0.00 176.35 176.64 2h47 n SER 42 N -4.29 0.30 -0.28 0.00 3.41 -1.20 -0.05 113.62 111.51 2h47 n SER 42 Ca 0.19 0.56 0.03 0.00 -0.26 0.00 0.00 58.87 59.40 2h47 n SER 42 Cb 0.97 -0.57 0.04 0.00 -0.26 0.00 0.00 64.21 64.39 2h47 n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h47 n GLY 45 N 0.04 0.38 0.00 0.00 0.00 -1.24 -4.69 105.19 99.67 2h47 n GLY 45 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2h47 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h47 n GLY 46 N -1.86 6.19 0.71 -0.02 0.00 -1.07 -4.61 105.19 104.53 2h47 n GLY 46 Ca 0.00 -1.88 -0.06 0.00 0.00 0.00 0.00 46.02 44.08 2h47 n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2h47 n THR 47 N 0.00 0.00 0.81 2.61 -2.24 -1.03 -4.21 114.28 110.23 2h47 n THR 47 Ca 0.00 -0.48 0.12 0.00 -2.27 0.00 0.00 64.05 61.42 2h47 n THR 47 Cb 0.00 0.13 0.51 0.00 -2.10 0.00 0.00 70.33 68.87 2h47 n THR 47 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2h47 n THR 48 N -0.23 0.35 -0.42 4.28 -2.24 -1.26 -3.26 114.28 111.51 2h47 n THR 48 Ca -0.03 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2h47 n THR 48 Cb 0.13 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 2h47 n THR 48 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2h47 n THR 49 N -1.58 0.12 -4.58 4.28 -2.24 -1.26 -1.00 114.28 108.01 2h47 n THR 49 Ca 0.06 -0.35 -0.22 0.00 -2.27 0.00 0.00 64.05 61.27 2h47 n THR 49 Cb 0.30 1.28 -0.15 0.00 -2.10 0.00 0.00 70.33 69.66 2h47 n THR 49 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2h47 s THR 50 N -0.12 1.17 0.40 4.28 -4.23 -1.22 -5.04 115.64 110.88 2h47 s THR 50 Ca 0.00 -0.77 -0.20 0.00 -1.18 0.00 0.00 61.69 59.54 2h47 s THR 50 Cb 0.00 -1.00 -0.10 0.00 1.34 0.00 0.00 72.50 72.73 2h47 s THR 50 CO 0.00 0.22 0.91 0.00 -0.54 0.00 0.00 174.62 175.21 2h47 s PRO 52 N -3.02 2.91 0.12 0.00 0.02 -1.26 -4.74 135.00 129.03 2h47 s PRO 52 Ca 0.59 1.80 -0.35 0.00 0.02 0.00 0.00 61.00 63.06 2h47 s PRO 52 Cb -0.10 -1.92 -0.17 0.00 0.02 0.00 0.00 34.50 32.33 2h47 s PRO 52 CO 0.15 -1.25 1.16 -2.30 -0.33 0.00 0.00 177.00 174.43 2h47 n PRO 53 N -1.70 0.90 0.00 5.54 -0.02 -1.26 -1.58 135.00 136.87 2h47 n PRO 53 Ca 0.13 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2h47 n PRO 53 Cb 0.50 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 2h47 n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h47 n GLY 54 N 2.08 2.17 3.95 -1.23 0.00 -1.26 -5.03 105.19 105.87 2h47 n GLY 54 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 2h47 n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2h47 s SER 55 N -2.65 6.22 -0.07 1.61 1.04 -0.61 -4.73 113.70 114.51 2h47 s SER 55 Ca 0.00 0.36 0.05 0.00 0.48 0.00 0.00 55.95 56.84 2h47 s SER 55 Cb 0.00 -1.91 -0.00 0.00 0.10 0.00 0.00 66.02 64.21 2h47 s SER 55 CO 0.00 -0.33 -0.23 -0.89 0.98 0.00 0.00 173.24 172.76 2h47 s THR 56 N -2.31 1.93 0.60 2.02 2.01 0.20 -4.81 115.64 115.28 2h47 s THR 56 Ca 0.41 -0.98 -0.20 0.00 0.31 0.00 0.00 61.69 61.23 2h47 s THR 56 Cb -0.10 -1.65 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 2h47 s THR 56 CO 0.35 0.54 1.30 -2.84 -0.69 0.00 0.00 174.62 173.28 2h47 s PRO 57 N 0.08 2.85 -0.03 4.92 0.02 -1.26 -0.11 135.00 141.46 2h47 s PRO 57 Ca -0.09 2.08 -0.13 0.00 0.02 0.00 0.00 61.00 62.87 2h47 s PRO 57 Cb -0.15 -2.01 -0.05 0.00 0.02 0.00 0.00 34.50 32.31 2h47 s PRO 57 CO 0.05 -1.37 0.35 -1.54 -0.33 0.00 0.00 177.00 174.17 2h47 s SER 58 N -1.28 6.72 0.43 2.53 1.04 0.54 -4.84 113.70 118.84 2h47 s SER 58 Ca 0.78 0.85 0.28 0.00 0.48 0.00 0.00 55.95 58.34 2h47 s SER 58 Cb -0.37 -2.21 0.99 0.00 0.10 0.00 0.00 66.02 64.52 2h47 s SER 58 CO 0.41 0.33 1.82 1.55 0.98 0.00 0.00 173.24 178.33 2h47 h PRO 59 N 4.87 0.00 -5.56 4.02 0.13 -1.90 -3.44 132.00 130.13 2h47 h PRO 59 Ca -0.52 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 63.97 2h47 h PRO 59 Cb 1.22 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.22 2h47 h PRO 59 CO 0.62 0.00 -0.57 0.96 -0.23 0.00 0.00 178.00 178.77 2h47 s ILE 60 N -3.43 1.81 0.00 -3.56 -4.36 -1.26 -5.15 121.20 105.25 2h47 s ILE 60 Ca 0.04 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.45 2h47 s ILE 60 Cb 0.08 -2.80 0.00 0.00 1.25 0.00 0.00 42.46 41.00 2h47 s ILE 60 CO 0.55 0.00 0.00 -1.54 0.24 0.00 0.00 174.94 174.19 2h47 n SER 61 N -1.05 0.00 -3.89 4.36 3.41 -1.26 -4.40 113.62 110.78 2h47 n SER 61 Ca -0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.42 2h47 n SER 61 Cb 0.67 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.51 2h47 n SER 61 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2h47 s ILE 63 N 1.89 0.08 0.02 -1.33 -1.09 0.36 -4.85 121.20 116.29 2h47 s ILE 63 Ca 0.00 -0.66 0.00 0.00 -2.23 0.00 0.00 60.65 57.76 2h47 s ILE 63 Cb 0.00 -0.35 -0.02 0.00 -1.58 0.00 0.00 42.46 40.51 2h47 s ILE 63 CO 0.00 -0.36 -0.03 -0.83 -1.23 0.00 0.00 174.94 172.49 2h47 s GLY 64 N -1.22 0.26 -0.73 6.18 0.00 -0.76 -4.49 107.32 106.55 2h47 s GLY 64 Ca -0.13 -0.59 0.01 0.00 0.00 0.00 0.00 44.72 44.01 2h47 s GLY 64 CO 0.01 -0.66 0.55 -1.59 0.00 0.00 0.00 173.10 171.41 2h47 s THR 65 N -1.43 3.52 0.29 0.90 2.01 -1.26 -0.80 115.64 118.86 2h47 s THR 65 Ca -0.15 -3.77 -0.14 0.00 0.31 0.00 0.00 61.69 57.93 2h47 s THR 65 Cb -0.10 -3.27 -0.09 0.00 0.01 0.00 0.00 72.50 69.06 2h47 s THR 65 CO -0.01 -0.98 0.70 0.00 -0.69 0.00 0.00 174.62 173.63 2h47 s HIS 67 N -1.89 3.56 -0.53 0.00 2.46 -1.26 -1.38 115.29 116.25 2h47 s HIS 67 Ca 0.51 0.63 -0.18 0.00 0.47 0.00 0.00 55.06 56.49 2h47 s HIS 67 Cb -0.11 -2.17 0.09 0.00 -0.13 0.00 0.00 32.58 30.25 2h47 s HIS 67 CO 0.18 0.50 0.60 1.21 -2.47 0.00 0.00 174.74 174.76 2h47 s ASN 68 N -0.39 6.19 0.13 9.88 3.84 -0.24 -4.81 114.94 129.54 2h47 s ASN 68 Ca 0.17 -1.28 0.11 0.00 0.21 0.00 0.00 52.86 52.07 2h47 s ASN 68 Cb -0.13 -2.27 0.54 0.00 -0.55 0.00 0.00 41.25 38.84 2h47 s ASN 68 CO 0.05 -0.92 1.33 -0.81 -2.79 0.00 0.00 177.10 173.96 2h47 n PRO 69 N 5.94 0.06 0.02 0.43 -0.04 -1.26 -0.71 135.00 139.44 2h47 n PRO 69 Ca -0.10 0.51 0.12 0.00 -0.04 0.00 0.00 63.50 63.99 2h47 n PRO 69 Cb 0.43 -1.68 0.11 0.00 -0.04 0.00 0.00 33.50 32.32 2h47 n PRO 69 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2h47 n HIS 70 N -1.81 0.23 -1.78 0.54 8.25 -1.26 -4.29 115.22 115.09 2h47 n HIS 70 Ca 0.00 0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2h47 n HIS 70 Cb 0.05 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 30.76 2h47 n HIS 70 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2h47 n ASP 71 N -1.82 0.00 -0.54 0.41 5.75 -0.88 -5.01 116.55 114.45 2h47 n ASP 71 Ca 0.03 -1.62 -0.03 0.00 -0.01 0.00 0.00 54.79 53.16 2h47 n ASP 71 Cb 0.40 -0.12 -0.01 0.00 -1.03 0.00 0.00 41.12 40.35 2h47 n ASP 71 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2h47 n GLY 72 N 0.00 0.27 3.97 6.12 0.00 0.11 -4.91 105.19 110.76 2h47 n GLY 72 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2h47 n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h47 s LYS 73 N -1.48 2.99 -0.11 1.61 1.02 -1.24 -4.89 119.74 117.64 2h47 s LYS 73 Ca 0.00 -1.12 -0.00 0.00 0.02 0.00 0.00 55.97 54.87 2h47 s LYS 73 Cb 0.00 -2.75 -0.02 0.00 -0.52 0.00 0.00 37.83 34.54 2h47 s LYS 73 CO 0.00 -0.02 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.80 2h47 s ASP 74 N -4.19 4.25 0.23 2.83 1.01 -1.26 -1.08 116.67 118.46 2h47 s ASP 74 Ca 0.47 -0.22 0.11 0.00 0.71 0.00 0.00 52.55 53.61 2h47 s ASP 74 Cb -0.09 -1.45 -0.05 0.00 1.01 0.00 0.00 42.92 42.35 2h47 s ASP 74 CO 0.31 0.23 -0.20 -0.31 0.21 0.00 0.00 175.17 175.41 2h47 s TYR 75 N 0.00 2.13 -0.09 4.23 1.51 -0.48 -0.58 117.35 124.08 2h47 s TYR 75 Ca -0.03 -0.40 -0.15 0.00 -1.01 0.00 0.00 57.07 55.48 2h47 s TYR 75 Cb -0.14 -0.98 -0.05 0.00 -0.11 0.00 0.00 41.96 40.68 2h47 s TYR 75 CO 0.04 0.56 0.39 -0.51 -1.11 0.00 0.00 175.55 174.92 2h47 s LEU 76 N -3.17 4.34 -0.16 -1.29 1.43 0.87 -1.99 118.68 118.71 2h47 s LEU 76 Ca 0.25 0.77 0.01 0.00 -1.03 0.00 0.00 54.13 54.13 2h47 s LEU 76 Cb -0.05 -2.55 0.02 0.00 0.03 0.00 0.00 46.19 43.64 2h47 s LEU 76 CO 0.11 0.15 -0.18 -0.63 0.23 0.00 0.00 176.35 176.04 2h47 s ILE 77 N -0.04 1.82 -0.17 -0.59 -1.09 0.01 -1.04 121.20 120.11 2h47 s ILE 77 Ca 0.22 -0.80 -0.19 0.00 -2.23 0.00 0.00 60.65 57.65 2h47 s ILE 77 Cb -0.15 -1.66 -0.03 0.00 -1.58 0.00 0.00 42.46 39.04 2h47 s ILE 77 CO 0.09 0.50 0.54 -0.55 -1.23 0.00 0.00 174.94 174.30 2h47 s SER 78 N 1.28 6.65 -1.08 3.58 0.15 0.78 -1.84 113.70 123.23 2h47 s SER 78 Ca 0.02 0.79 -0.07 0.00 0.70 0.00 0.00 55.95 57.39 2h47 s SER 78 Cb -0.13 -2.31 0.28 0.00 -1.71 0.00 0.00 66.02 62.15 2h47 s SER 78 CO -0.10 -0.14 1.18 -1.22 1.20 0.00 0.00 173.24 174.16 2h47 n TYR 79 N 4.45 4.38 -2.51 3.44 4.02 -1.26 -0.82 117.16 128.86 2h47 n TYR 79 Ca -0.04 -3.59 -0.35 0.00 -0.01 0.00 0.00 57.90 53.90 2h47 n TYR 79 Cb 0.51 -1.52 -0.03 0.00 -0.02 0.00 0.00 39.34 38.27 2h47 n TYR 79 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 2h47 s HIS 80 N -1.72 3.06 0.09 -0.72 3.76 -1.25 -4.69 115.29 113.82 2h47 s HIS 80 Ca 0.31 1.59 0.03 0.00 -0.15 0.00 0.00 55.06 56.84 2h47 s HIS 80 Cb -0.05 -3.12 -0.04 0.00 1.11 0.00 0.00 32.58 30.47 2h47 s HIS 80 CO -0.03 -0.85 0.10 -0.51 -0.85 0.00 0.00 174.74 172.60 2h47 s ASP 81 N -1.78 5.62 -0.20 1.40 1.01 -1.26 -0.91 116.67 120.55 2h47 s ASP 81 Ca 0.64 0.01 -0.08 0.00 0.71 0.00 0.00 52.55 53.82 2h47 s ASP 81 Cb -0.19 -1.53 -0.04 0.00 1.01 0.00 0.00 42.92 42.16 2h47 s ASP 81 CO 0.24 0.16 0.09 0.00 0.21 0.00 0.00 175.17 175.87 2h47 n GLY 84 N 2.30 1.80 3.22 0.00 0.00 -1.05 0.59 105.19 112.05 2h47 n GLY 84 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 2h47 n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h47 s LYS 85 N -0.54 0.97 0.77 1.61 1.02 -1.26 -4.95 119.74 117.37 2h47 s LYS 85 Ca 0.00 -1.30 -0.11 0.00 0.02 0.00 0.00 55.97 54.58 2h47 s LYS 85 Cb 0.00 -0.64 0.05 0.00 -0.52 0.00 0.00 37.83 36.72 2h47 s LYS 85 CO 0.00 0.10 1.08 0.95 -0.92 0.00 0.00 175.35 176.56 2h47 s THR 86 N -2.77 3.40 -0.49 2.17 -4.23 -1.26 -3.50 115.64 108.96 2h47 s THR 86 Ca 0.11 0.45 -0.44 0.00 -1.18 0.00 0.00 61.69 60.63 2h47 s THR 86 Cb -0.01 -3.04 -0.19 0.00 1.34 0.00 0.00 72.50 70.60 2h47 s THR 86 CO 0.01 -0.59 1.93 0.00 -0.54 0.00 0.00 174.62 175.42 2h47 n ALA 87 N -3.46 -0.32 -0.28 3.99 0.00 -1.05 -4.57 120.51 114.82 2h47 n ALA 87 Ca 0.08 0.29 0.02 0.00 0.00 0.00 0.00 53.44 53.83 2h47 n ALA 87 Cb 0.54 -2.00 0.22 0.00 0.00 0.00 0.00 19.45 18.21 2h47 n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h47 n GLY 89 N -1.40 0.49 3.48 0.00 0.00 -1.26 -5.01 105.19 101.48 2h47 n GLY 89 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 2h47 n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h47 s ARG 90 N -0.48 2.48 -1.08 1.61 0.52 -1.26 -4.73 118.95 116.01 2h47 s ARG 90 Ca 0.00 -0.71 -0.11 0.00 -0.52 0.00 0.00 55.73 54.39 2h47 s ARG 90 Cb 0.00 -2.37 -0.05 0.00 0.52 0.00 0.00 34.95 33.05 2h47 s ARG 90 CO 0.00 0.62 0.88 0.00 0.02 0.00 0.00 175.30 176.82 2h47 s GLN 92 N -4.96 4.47 0.17 0.00 0.74 -1.26 -1.95 119.66 116.88 2h47 s GLN 92 Ca 0.46 1.68 0.04 0.00 0.05 0.00 0.00 55.36 57.60 2h47 s GLN 92 Cb -0.10 -3.37 -0.05 0.00 1.10 0.00 0.00 33.01 30.60 2h47 s GLN 92 CO 0.78 -0.18 -0.08 0.00 -0.55 0.00 0.00 175.29 175.26 2h47 n ASN 94 N -0.27 -2.06 -4.60 0.00 5.15 -1.14 -1.61 115.26 110.73 2h47 n ASN 94 Ca -0.09 -3.07 -0.35 0.00 -0.60 0.00 0.00 54.58 50.47 2h47 n ASN 94 Cb 0.61 1.09 -0.10 0.00 -0.53 0.00 0.00 39.78 40.85 2h47 n ASN 94 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2h47 s THR 95 N 0.20 4.67 -0.33 -0.44 2.01 0.25 -4.98 115.64 117.01 2h47 s THR 95 Ca 0.33 -0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.32 2h47 s THR 95 Cb 0.19 -3.11 0.47 0.00 0.01 0.00 0.00 72.50 70.06 2h47 s THR 95 CO -0.19 0.45 1.40 0.00 -0.69 0.00 0.00 174.62 175.59 2h47 n GLN 96 N 3.68 2.55 -2.23 4.92 1.13 -1.24 -2.74 117.38 123.45 2h47 n GLN 96 Ca -0.17 -3.58 -0.42 0.00 -1.94 0.00 0.00 57.00 50.89 2h47 n GLN 96 Cb 0.52 -2.02 -0.03 0.00 0.11 0.00 0.00 30.24 28.83 2h47 n GLN 96 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2h47 s THR 97 N -3.94 3.79 0.00 5.09 2.01 -0.35 -2.60 115.64 119.63 2h47 s THR 97 Ca 0.49 1.12 0.00 0.00 0.31 0.00 0.00 61.69 63.61 2h47 s THR 97 Cb 0.42 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 69.20 2h47 s THR 97 CO 0.00 -0.02 0.00 0.54 -0.69 0.00 0.00 174.62 174.45 2h47 n ARG 98 N 5.71 0.00 -2.03 4.92 5.12 -1.26 -4.54 116.66 124.58 2h47 n ARG 98 Ca 0.14 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.65 2h47 n ARG 98 Cb 0.44 -3.10 -0.02 0.00 -1.16 0.00 0.00 32.46 28.62 2h47 n ARG 98 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2h47 s GLU 99 N -0.29 4.29 0.20 5.56 -6.30 -1.07 -4.92 118.70 116.17 2h47 s GLU 99 Ca 0.00 2.31 0.04 0.00 -2.50 0.00 0.00 54.97 54.82 2h47 s GLU 99 Cb 0.00 -3.05 -0.05 0.00 0.00 0.00 0.00 34.13 31.03 2h47 s GLU 99 CO 0.00 -0.29 -0.05 1.03 0.02 0.00 0.00 175.26 175.97 2h47 s ARG 100 N -1.77 1.25 1.32 4.30 1.81 -0.26 -5.00 118.95 120.60 2h47 s ARG 100 Ca 0.51 -1.60 -0.22 0.00 -1.72 0.00 0.00 55.73 52.70 2h47 s ARG 100 Cb -0.42 -0.68 0.34 0.00 -0.45 0.00 0.00 34.95 33.74 2h47 s ARG 100 CO 0.55 -0.01 0.83 -2.30 -0.68 0.00 0.00 175.30 173.69 2h47 n PRO 101 N -0.35 -4.41 0.31 3.54 -0.02 -1.26 -3.22 135.00 129.59 2h47 n PRO 101 Ca -0.07 -1.38 0.19 0.00 -2.02 0.00 0.00 63.50 60.22 2h47 n PRO 101 Cb 0.62 -1.70 1.04 0.00 -0.02 0.00 0.00 33.50 33.44 2h47 n PRO 101 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2h47 h GLY 102 N -3.28 0.00 -1.01 -1.23 0.00 -1.97 -2.66 103.07 92.92 2h47 h GLY 102 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2h47 h GLY 102 CO 0.22 0.00 0.00 1.58 0.00 0.00 0.00 176.54 178.34 2h47 n TYR 103 N -3.43 0.00 -2.70 5.60 0.18 -1.26 -0.82 117.16 114.73 2h47 n TYR 103 Ca -0.03 -0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.70 2h47 n TYR 103 Cb 0.10 -0.09 0.11 0.00 -0.38 0.00 0.00 39.34 39.07 2h47 n TYR 103 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2h47 n GLU 104 N 0.05 1.32 -0.08 -3.48 1.02 -1.00 -5.05 120.64 113.42 2h47 n GLU 104 Ca 0.00 -1.93 0.00 0.00 -0.02 0.00 0.00 57.16 55.21 2h47 n GLU 104 Cb 0.23 -0.17 0.02 0.00 -0.02 0.00 0.00 31.44 31.50 2h47 n GLU 104 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2h47 n PHE 105 N -0.92 0.03 1.50 -0.32 7.35 0.00 -0.72 117.46 124.39 2h47 n PHE 105 Ca -0.06 0.25 0.02 0.00 -0.76 0.00 0.00 57.45 56.89 2h47 n PHE 105 Cb 0.85 -0.59 0.12 0.00 0.35 0.00 0.00 39.48 40.21 2h47 n PHE 105 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 2h47 n PHE 106 N -4.31 0.00 -0.23 -5.13 3.01 -1.26 -1.74 117.46 107.80 2h47 n PHE 106 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 2h47 n PHE 106 Cb 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 2h47 n PHE 106 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2h47 n LEU 107 N -0.58 1.37 -4.86 4.37 4.77 0.10 0.14 117.00 122.31 2h47 n LEU 107 Ca 0.03 -1.37 -0.38 0.00 -0.03 0.00 0.00 56.01 54.26 2h47 n LEU 107 Cb 0.01 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 2h47 n LEU 107 CO 0.02 0.34 -0.02 -2.28 -1.33 0.00 0.00 177.39 174.13 2h47 s HIS 108 N -0.61 3.67 -0.18 -1.77 2.46 -0.71 -1.11 115.29 117.05 2h47 s HIS 108 Ca 0.00 0.78 0.14 0.00 0.47 0.00 0.00 55.06 56.45 2h47 s HIS 108 Cb 0.00 -2.13 0.43 0.00 -0.13 0.00 0.00 32.58 30.75 2h47 s HIS 108 CO 0.00 0.69 1.20 0.27 -2.47 0.00 0.00 174.74 174.43 2h47 n ASN 109 N 1.89 1.85 -0.50 9.88 0.23 -1.26 -4.66 115.26 122.70 2h47 n ASN 109 Ca -0.17 -3.47 0.07 0.00 -0.53 0.00 0.00 54.58 50.48 2h47 n ASN 109 Cb 0.54 -0.47 0.17 0.00 -2.08 0.00 0.00 39.78 37.94 2h47 n ASN 109 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2h47 n ASP 110 N -0.75 3.00 -4.30 0.53 8.00 -1.26 -4.80 116.55 116.97 2h47 n ASP 110 Ca 0.18 -2.63 -0.23 0.00 0.71 0.00 0.00 54.79 52.82 2h47 n ASP 110 Cb 0.81 -0.36 -0.12 0.00 -0.02 0.00 0.00 41.12 41.43 2h47 n ASP 110 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2h47 s VAL 111 N -2.12 1.76 -0.34 2.53 -7.23 -1.26 -5.11 120.40 108.63 2h47 s VAL 111 Ca 0.29 -1.69 -0.29 0.00 -1.81 0.00 0.00 61.98 58.48 2h47 s VAL 111 Cb 0.22 -1.67 0.02 0.00 0.56 0.00 0.00 36.38 35.51 2h47 s VAL 111 CO 0.08 -0.16 1.13 0.21 -0.31 0.00 0.00 175.10 176.05 2h47 s ASN 112 N -2.20 6.83 0.00 4.85 2.47 -1.26 -4.90 114.94 120.73 2h47 s ASN 112 Ca 0.10 0.97 0.02 0.00 0.42 0.00 0.00 52.86 54.37 2h47 s ASN 112 Cb -0.08 -2.54 0.12 0.00 -1.45 0.00 0.00 41.25 37.29 2h47 s ASN 112 CO 0.05 -0.99 0.86 0.79 -3.72 0.00 0.00 177.10 174.09 2h47 n TRP 113 N 7.19 0.00 0.02 0.43 7.02 -1.26 -1.61 117.44 129.23 2h47 n TRP 113 Ca 0.13 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.70 2h47 n TRP 113 Cb 0.47 0.00 0.22 0.00 -2.42 0.00 0.00 31.31 29.58 2h47 n TRP 113 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2h47 h MET 115 N 3.69 0.00 -0.08 0.00 -0.00 -1.55 -2.25 114.93 114.74 2h47 h MET 115 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2h47 h MET 115 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.49 2h47 h MET 115 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.91 176.91 2h47 n ALA 116 N -2.35 2.45 -1.30 -3.00 0.00 -1.26 -4.89 120.51 110.16 2h47 n ALA 116 Ca 0.01 -0.70 -0.30 0.00 0.00 0.00 0.00 53.44 52.45 2h47 n ALA 116 Cb 0.31 -0.58 0.11 0.00 0.00 0.00 0.00 19.45 19.28 2h47 n ALA 116 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2h47 s ASN 117 N -1.36 4.09 0.27 0.00 0.01 -0.85 -4.91 114.94 112.18 2h47 s ASN 117 Ca 0.22 1.57 0.00 0.00 -0.71 0.00 0.00 52.86 53.94 2h47 s ASN 117 Cb 0.15 -2.28 0.59 0.00 0.41 0.00 0.00 41.25 40.12 2h47 s ASN 117 CO 0.21 -2.26 1.73 -0.08 -1.51 0.00 0.00 177.10 175.19 2h47 h GLU 118 N -1.29 0.47 -4.14 -0.60 4.57 -1.95 -3.36 114.58 108.28 2h47 h GLU 118 Ca -0.47 -0.03 -0.49 0.00 -1.18 0.00 0.00 59.36 57.19 2h47 h GLU 118 Cb 1.26 -0.11 -0.36 0.00 -0.16 0.00 0.00 28.75 29.38 2h47 h GLU 118 CO 0.54 0.31 -0.79 1.21 -1.18 0.00 0.00 179.01 179.10 2h47 s ASN 119 N -5.30 1.87 0.00 1.04 3.84 -1.26 -5.07 114.94 110.05 2h47 s ASN 119 Ca -0.12 -0.24 0.22 0.00 0.21 0.00 0.00 52.86 52.93 2h47 s ASN 119 Cb 0.23 -0.72 1.18 0.00 -0.55 0.00 0.00 41.25 41.39 2h47 s ASN 119 CO 0.78 -0.11 1.78 -1.54 -2.79 0.00 0.00 177.10 175.22 2h47 n SER 120 N 4.73 0.43 -4.75 -4.21 3.41 -1.26 -3.81 113.62 108.17 2h47 n SER 120 Ca -0.14 -1.41 -0.41 0.00 -0.26 0.00 0.00 58.87 56.65 2h47 n SER 120 Cb 0.50 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 2h47 n SER 120 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2h47 s THR 121 N -1.96 3.42 0.06 6.66 -4.23 -1.26 -4.57 115.64 113.76 2h47 s THR 121 Ca 0.33 1.28 -0.27 0.00 -1.18 0.00 0.00 61.69 61.86 2h47 s THR 121 Cb 0.16 -3.82 -0.05 0.00 1.34 0.00 0.00 72.50 70.13 2h47 s THR 121 CO 0.26 0.24 0.83 0.12 -0.54 0.00 0.00 174.62 175.53 2h47 s PHE 122 N -0.48 3.75 -0.01 3.99 5.36 -1.26 -2.53 117.98 126.80 2h47 s PHE 122 Ca 0.50 1.57 -0.06 0.00 -0.96 0.00 0.00 56.93 57.98 2h47 s PHE 122 Cb -0.33 -2.89 -0.02 0.00 -0.34 0.00 0.00 43.02 39.43 2h47 s PHE 122 CO 0.40 0.25 -0.12 1.58 -1.46 0.00 0.00 175.22 175.86 2h47 n HIS 123 N 2.84 0.00 -3.66 10.12 -0.00 -0.59 -2.52 115.22 121.40 2h47 n HIS 123 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.63 2h47 n HIS 123 Cb 0.50 -0.20 -0.02 0.00 -0.00 0.00 0.00 29.99 30.27 2h47 n HIS 123 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2h47 s THR 125 N -3.65 4.01 0.42 0.00 2.01 0.20 -0.81 115.64 117.83 2h47 s THR 125 Ca 0.07 -0.35 0.08 0.00 0.31 0.00 0.00 61.69 61.81 2h47 s THR 125 Cb -0.03 -2.69 -0.00 0.00 0.01 0.00 0.00 72.50 69.79 2h47 s THR 125 CO -0.02 0.57 0.50 0.42 -0.69 0.00 0.00 174.62 175.40 2h47 s THR 126 N -0.50 2.84 -0.50 -0.82 -4.23 -0.09 -2.12 115.64 110.22 2h47 s THR 126 Ca 0.08 -1.14 0.04 0.00 -1.18 0.00 0.00 61.69 59.50 2h47 s THR 126 Cb -0.12 -2.98 0.17 0.00 1.34 0.00 0.00 72.50 70.91 2h47 s THR 126 CO 0.02 0.00 0.39 -1.20 -0.54 0.00 0.00 174.62 173.30 2h47 n SER 127 N -1.74 0.61 -4.67 3.99 7.64 -0.17 -3.83 113.62 115.44 2h47 n SER 127 Ca 0.06 -2.64 -0.43 0.00 1.01 0.00 0.00 58.87 56.88 2h47 n SER 127 Cb 0.60 -0.62 -0.02 0.00 -1.01 0.00 0.00 64.21 63.16 2h47 n SER 127 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2h47 s VAL 128 N -0.45 4.70 -0.31 0.44 1.01 -0.00 -4.76 120.40 121.02 2h47 s VAL 128 Ca 0.31 2.00 -0.29 0.00 0.00 0.00 0.00 61.98 64.00 2h47 s VAL 128 Cb 0.02 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2h47 s VAL 128 CO -0.19 -0.08 1.31 -0.22 0.00 0.00 0.00 175.10 175.92 2h47 s LEU 129 N 2.59 3.84 -0.10 3.92 2.96 -1.26 -0.15 118.68 130.48 2h47 s LEU 129 Ca 0.47 1.15 -0.00 0.00 -0.22 0.00 0.00 54.13 55.53 2h47 s LEU 129 Cb -0.17 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 2h47 s LEU 129 CO 0.13 -1.12 -0.00 0.58 -1.32 0.00 0.00 176.35 174.62 2h47 h VAL 130 N 6.02 0.00 0.00 1.68 2.07 -1.46 -3.48 116.25 121.08 2h47 h VAL 130 Ca -0.26 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.29 2h47 h VAL 130 Cb 1.10 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2h47 h VAL 130 CO 1.04 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.24 2h47 n GLY 131 N 1.78 -1.09 3.74 2.17 0.00 -1.23 -5.00 105.19 105.57 2h47 n GLY 131 Ca -0.00 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 2h47 n GLY 131 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h47 s LEU 132 N 0.00 4.47 0.57 0.99 1.43 -1.26 -0.09 118.68 124.79 2h47 s LEU 132 Ca 0.00 2.28 0.01 0.00 -1.03 0.00 0.00 54.13 55.39 2h47 s LEU 132 Cb 0.00 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.65 2h47 s LEU 132 CO 0.00 -0.35 0.80 0.00 0.23 0.00 0.00 176.35 177.04 2h47 s ALA 133 N -0.34 3.87 0.00 4.21 0.00 0.25 -4.70 121.76 125.06 2h47 s ALA 133 Ca 0.51 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 51.11 2h47 s ALA 133 Cb -0.33 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 20.71 2h47 s ALA 133 CO 0.39 -0.83 0.00 1.63 0.00 0.00 0.00 175.76 176.94