#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h47 n HIS 12 N 0.00 0.00 0.20 -0.67 -0.00 -1.26 -5.06 115.22 108.43 2h47 n HIS 12 Ca 0.00 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.22 2h47 n HIS 12 Cb 0.00 0.00 0.42 0.00 -0.12 0.00 0.00 29.99 30.29 2h47 n HIS 12 CO 0.00 0.00 0.00 -0.84 0.46 0.00 0.00 176.34 175.96 2h47 h ILE 13 N 0.03 1.21 0.00 3.57 3.07 -1.98 -2.08 117.51 121.33 2h47 h ILE 13 Ca 0.00 -1.01 0.00 0.00 1.55 0.00 0.00 64.86 65.40 2h47 h ILE 13 Cb 0.00 1.54 0.00 0.00 -0.27 0.00 0.00 36.82 38.09 2h47 h ILE 13 CO 0.00 0.29 0.00 -1.54 -1.05 0.00 0.00 178.15 175.85 2h47 n SER 14 N -4.18 0.00 -0.05 2.16 3.41 -1.26 -3.31 113.62 110.38 2h47 n SER 14 Ca -0.02 -0.05 -0.02 0.00 -0.26 0.00 0.00 58.87 58.52 2h47 n SER 14 Cb 0.34 -0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.20 2h47 n SER 14 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2h47 h LEU 15 N 0.00 0.00 -8.87 1.04 3.38 -1.79 -3.45 115.31 105.62 2h47 h LEU 15 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 2h47 h LEU 15 Cb 0.01 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.64 2h47 h LEU 15 CO 0.00 0.57 0.14 0.54 0.09 0.00 0.00 178.44 179.78 2h47 s ASN 16 N -5.39 6.48 0.65 -0.43 6.03 -1.21 -4.93 114.94 116.14 2h47 s ASN 16 Ca -0.07 0.37 0.21 0.00 -1.03 0.00 0.00 52.86 52.34 2h47 s ASN 16 Cb 0.01 -2.33 1.11 0.00 -3.03 0.00 0.00 41.25 37.01 2h47 s ASN 16 CO 0.11 -0.50 1.62 -0.65 -2.03 0.00 0.00 177.10 175.64 2h47 h PRO 17 N 8.24 0.00 0.00 3.55 0.11 -1.87 -1.64 132.00 140.39 2h47 h PRO 17 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2h47 h PRO 17 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2h47 h PRO 17 CO 0.81 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.35 2h47 n ASP 18 N -2.94 0.00 -2.33 -2.05 8.00 -1.26 -2.96 116.55 113.01 2h47 n ASP 18 Ca 0.02 -0.41 -0.28 0.00 0.71 0.00 0.00 54.79 54.83 2h47 n ASP 18 Cb 0.69 -0.12 0.02 0.00 -0.02 0.00 0.00 41.12 41.69 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 -1.12 5.42 -3.99 0.64 4.77 -0.62 -4.99 117.00 117.11 2h47 n LEU 19 Ca 0.14 -4.90 -0.11 0.00 -0.03 0.00 0.00 56.01 51.11 2h47 n LEU 19 Cb 0.11 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.64 2h47 n LEU 19 CO 0.14 2.06 0.24 0.00 -1.33 0.00 0.00 177.39 178.50 2h47 s ALA 20 N -3.65 -0.01 -0.05 -1.18 0.00 -1.15 -4.95 121.76 110.76 2h47 s ALA 20 Ca 0.51 -1.06 -0.24 0.00 0.00 0.00 0.00 51.96 51.17 2h47 s ALA 20 Cb 0.42 1.02 -0.04 0.00 0.00 0.00 0.00 23.12 24.52 2h47 s ALA 20 CO -0.11 -0.86 0.74 -0.80 0.00 0.00 0.00 175.76 174.73 2h47 s ASN 21 N -3.10 7.05 0.26 0.00 0.02 -1.26 -4.93 114.94 112.98 2h47 s ASN 21 Ca 0.24 1.26 0.05 0.00 -1.02 0.00 0.00 52.86 53.39 2h47 s ASN 21 Cb -0.02 -2.43 0.73 0.00 0.02 0.00 0.00 41.25 39.55 2h47 s ASN 21 CO 0.13 -0.13 1.27 -0.62 0.02 0.00 0.00 177.10 177.78 2h47 n GLU 22 N 3.76 -0.06 0.20 -0.60 -0.58 -1.26 0.26 120.64 122.36 2h47 n GLU 22 Ca -0.00 1.19 0.14 0.00 -0.42 0.00 0.00 57.16 58.07 2h47 n GLU 22 Cb 0.51 -1.95 0.72 0.00 -0.57 0.00 0.00 31.44 30.15 2h47 n GLU 22 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2h47 h ASP 23 N 0.00 0.00 0.00 1.62 3.45 -1.94 1.43 116.42 120.99 2h47 h ASP 23 Ca 0.54 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.96 2h47 h ASP 23 Cb 1.21 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.97 2h47 h ASP 23 CO -0.73 0.00 -0.24 -0.08 -1.57 0.00 0.00 179.24 176.62 2h47 h GLU 24 N 0.00 0.00 0.00 3.56 4.81 0.31 -3.09 114.58 120.18 2h47 h GLU 24 Ca 0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 2h47 h GLU 24 Cb 0.09 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2h47 h GLU 24 CO 0.00 1.00 -0.59 -0.39 -0.73 0.00 0.00 179.01 178.30 2h47 h VAL 25 N -1.00 1.42 -0.00 0.32 -1.51 -1.13 -2.91 116.25 111.43 2h47 h VAL 25 Ca -0.07 -2.02 0.00 0.00 -1.23 0.00 0.00 66.70 63.38 2h47 h VAL 25 Cb 1.06 2.09 0.00 0.00 -2.13 0.00 0.00 31.29 32.31 2h47 h VAL 25 CO -0.04 0.58 -0.01 0.59 -1.23 0.00 0.00 177.57 177.46 2h47 n ASN 26 N -3.83 0.35 -4.88 4.19 3.02 0.48 -4.82 115.26 109.76 2h47 n ASN 26 Ca -0.01 -1.04 -0.30 0.00 -0.03 0.00 0.00 54.58 53.19 2h47 n ASN 26 Cb 0.59 -0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.70 2h47 n ASN 26 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2h47 s SER 27 N -2.05 6.55 0.27 6.41 0.15 -1.10 -4.96 113.70 118.96 2h47 s SER 27 Ca 0.44 0.90 0.25 0.00 0.70 0.00 0.00 55.95 58.24 2h47 s SER 27 Cb 0.22 -2.22 0.89 0.00 -1.71 0.00 0.00 66.02 63.20 2h47 s SER 27 CO 0.37 -0.18 1.75 0.00 1.20 0.00 0.00 173.24 176.39 2h47 n ASP 29 N -2.36 0.90 -4.74 0.00 8.00 -1.26 -4.77 116.55 112.31 2h47 n ASP 29 Ca 0.04 -1.45 -0.42 0.00 0.71 0.00 0.00 54.79 53.68 2h47 n ASP 29 Cb 0.35 -0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.40 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 -1.94 2.80 0.48 1.24 6.04 -1.05 -4.83 117.35 120.09 2h47 s TYR 30 Ca 0.36 0.67 0.25 0.00 0.04 0.00 0.00 57.07 58.39 2h47 s TYR 30 Cb 0.18 -4.08 1.30 0.00 -1.04 0.00 0.00 41.96 38.32 2h47 s TYR 30 CO 0.29 -3.77 1.86 0.11 -1.54 0.00 0.00 175.55 172.50 2h47 h TRP 31 N 5.39 0.27 -0.01 4.97 5.08 -1.90 -1.77 115.95 127.99 2h47 h TRP 31 Ca -0.46 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.52 2h47 h TRP 31 Cb 1.21 -0.08 0.00 0.00 -3.00 0.00 0.00 29.16 27.29 2h47 h TRP 31 CO 0.60 0.06 -0.15 2.89 -1.28 0.00 0.00 178.44 180.56 2h47 n ARG 32 N -4.39 0.88 -0.96 0.12 1.85 -1.26 -3.78 116.66 109.12 2h47 n ARG 32 Ca 0.20 -0.42 -0.16 0.00 -1.00 0.00 0.00 57.85 56.47 2h47 n ARG 32 Cb 0.88 -1.49 0.17 0.00 -1.05 0.00 0.00 32.46 30.97 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 -0.69 2.38 0.22 2.89 8.25 -0.66 -4.67 115.22 122.93 2h47 n HIS 33 Ca 0.14 -1.47 0.05 0.00 -0.26 0.00 0.00 57.72 56.18 2h47 n HIS 33 Cb 0.31 -0.77 0.22 0.00 1.12 0.00 0.00 29.99 30.87 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 2.43 -2.58 0.00 0.00 -1.25 -1.02 120.51 116.53 2h47 n ALA 35 Ca 0.01 -2.17 -0.40 0.00 0.00 0.00 0.00 53.44 50.88 2h47 n ALA 35 Cb 0.08 -0.63 -0.04 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.49 4.86 -0.34 0.00 1.01 -1.06 -4.85 120.40 119.52 2h47 s VAL 36 Ca 0.27 1.71 -0.01 0.00 0.00 0.00 0.00 61.98 63.95 2h47 s VAL 36 Cb 0.30 -4.16 0.12 0.00 0.00 0.00 0.00 36.38 32.64 2h47 s VAL 36 CO -0.11 0.27 0.17 -0.62 0.00 0.00 0.00 175.10 174.81 2h47 s ASP 37 N 0.51 3.49 0.00 3.32 2.15 -1.25 -1.19 116.67 123.71 2h47 s ASP 37 Ca 0.42 -1.93 0.00 0.00 0.43 0.00 0.00 52.55 51.47 2h47 s ASP 37 Cb -0.20 -0.62 0.00 0.00 -0.30 0.00 0.00 42.92 41.80 2h47 s ASP 37 CO 0.23 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.48 2h47 n GLY 38 N 4.42 -0.50 3.61 2.66 0.00 -0.29 -4.97 105.19 110.12 2h47 n GLY 38 Ca 0.04 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 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 2.93 -0.42 1.61 0.40 -1.26 0.69 117.98 117.94 2h47 s PHE 39 Ca 0.00 0.00 -0.26 0.00 -0.60 0.00 0.00 56.93 56.07 2h47 s PHE 39 Cb 0.00 -1.65 0.02 0.00 0.51 0.00 0.00 43.02 41.90 2h47 s PHE 39 CO 0.00 0.38 0.93 -0.51 0.70 0.00 0.00 175.22 176.71 2h47 s LEU 40 N -1.26 3.99 0.53 -0.37 1.43 -0.94 0.15 118.68 122.21 2h47 s LEU 40 Ca 0.16 0.34 0.33 0.00 -1.03 0.00 0.00 54.13 53.93 2h47 s LEU 40 Cb -0.11 -3.23 1.49 0.00 0.03 0.00 0.00 46.19 44.37 2h47 s LEU 40 CO 0.06 -0.96 1.84 0.00 0.23 0.00 0.00 176.35 177.52 2h47 h SER 42 N 0.03 0.00 -0.12 0.00 4.64 -1.68 0.47 113.55 116.89 2h47 h SER 42 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 2h47 h SER 42 Cb 1.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.03 2h47 h SER 42 CO -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.94 2h47 n GLY 45 N -0.80 0.79 0.00 0.00 0.00 -1.22 -4.63 105.19 99.34 2h47 n GLY 45 Ca 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.37 4.88 2.66 -0.02 0.00 -0.89 -4.11 105.19 105.34 2h47 n GLY 46 Ca 0.00 -1.67 -0.23 0.00 0.00 0.00 0.00 46.02 44.12 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 0.47 2.61 -2.24 -0.75 -3.96 114.28 110.41 2h47 n THR 47 Ca 0.00 -1.71 0.06 0.00 -2.27 0.00 0.00 64.05 60.13 2h47 n THR 47 Cb 0.00 0.26 0.27 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.00 1.01 -0.84 4.28 -2.24 -1.26 -2.96 114.28 111.26 2h47 n THR 48 Ca -0.13 0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2h47 n THR 48 Cb 0.46 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 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 -1.43 0.14 -4.43 4.28 -2.24 -1.26 -0.20 114.28 109.14 2h47 n THR 49 Ca 0.04 -0.15 -0.22 0.00 -2.27 0.00 0.00 64.05 61.45 2h47 n THR 49 Cb 0.13 1.05 -0.16 0.00 -2.10 0.00 0.00 70.33 69.25 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 -0.14 0.89 0.35 4.28 -4.23 -1.16 -5.03 115.64 110.60 2h47 s THR 50 Ca 0.00 -0.36 -0.27 0.00 -1.18 0.00 0.00 61.69 59.88 2h47 s THR 50 Cb 0.00 -0.83 -0.09 0.00 1.34 0.00 0.00 72.50 72.92 2h47 s THR 50 CO 0.00 0.29 1.20 0.00 -0.54 0.00 0.00 174.62 175.57 2h47 n PRO 52 N 0.61 0.56 -1.59 0.00 -0.02 -1.26 -4.75 135.00 128.55 2h47 n PRO 52 Ca 0.01 0.24 -0.48 0.00 -2.02 0.00 0.00 63.50 61.26 2h47 n PRO 52 Cb 0.44 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.73 2h47 n PRO 52 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2h47 n PRO 53 N -1.53 1.29 -0.62 0.52 -0.02 -1.26 -2.01 135.00 131.38 2h47 n PRO 53 Ca 0.13 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2h47 n PRO 53 Cb 0.49 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 1.98 0.98 3.89 -1.23 0.00 -1.26 -5.05 105.19 104.50 2h47 n GLY 54 Ca 0.14 0.00 -0.21 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 -3.04 5.55 -0.09 1.61 1.04 -0.85 -4.71 113.70 113.21 2h47 s SER 55 Ca 0.00 -0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.12 2h47 s SER 55 Cb 0.00 -1.14 -0.00 0.00 0.10 0.00 0.00 66.02 64.98 2h47 s SER 55 CO 0.00 -0.32 -0.23 -0.89 0.98 0.00 0.00 173.24 172.77 2h47 s THR 56 N -2.23 2.00 0.63 2.02 2.01 0.19 -4.82 115.64 115.45 2h47 s THR 56 Ca 0.41 -0.99 -0.18 0.00 0.31 0.00 0.00 61.69 61.24 2h47 s THR 56 Cb -0.07 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 2h47 s THR 56 CO 0.28 0.55 1.22 -2.84 -0.69 0.00 0.00 174.62 173.13 2h47 s PRO 57 N 0.28 2.73 0.04 4.92 0.02 -1.26 0.43 135.00 142.16 2h47 s PRO 57 Ca -0.16 1.84 -0.12 0.00 0.02 0.00 0.00 61.00 62.57 2h47 s PRO 57 Cb -0.17 -1.90 -0.06 0.00 0.02 0.00 0.00 34.50 32.39 2h47 s PRO 57 CO 0.08 -1.40 0.41 -1.54 -0.33 0.00 0.00 177.00 174.22 2h47 s SER 58 N -1.68 6.73 0.03 2.53 1.04 0.17 -4.83 113.70 117.68 2h47 s SER 58 Ca 0.77 0.89 0.27 0.00 0.48 0.00 0.00 55.95 58.36 2h47 s SER 58 Cb -0.31 -2.22 1.12 0.00 0.10 0.00 0.00 66.02 64.72 2h47 s SER 58 CO 0.37 0.25 1.87 -0.81 0.98 0.00 0.00 173.24 175.89 2h47 n PRO 59 N 1.36 0.04 -4.65 4.02 -0.04 -1.26 -4.65 135.00 129.81 2h47 n PRO 59 Ca -0.11 0.06 -0.29 0.00 -0.04 0.00 0.00 63.50 63.12 2h47 n PRO 59 Cb 0.52 -1.55 -0.09 0.00 -0.04 0.00 0.00 33.50 32.34 2h47 n PRO 59 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2h47 s ILE 60 N -3.02 1.52 0.00 0.52 -4.36 -1.26 -5.15 121.20 109.45 2h47 s ILE 60 Ca 0.13 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.52 2h47 s ILE 60 Cb 0.17 -2.62 0.00 0.00 1.25 0.00 0.00 42.46 41.26 2h47 s ILE 60 CO 0.51 0.00 0.00 -1.54 0.24 0.00 0.00 174.94 174.15 2h47 n SER 61 N -1.08 0.06 -3.75 4.36 3.41 -1.26 -4.36 113.62 111.01 2h47 n SER 61 Ca -0.10 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.38 2h47 n SER 61 Cb 0.67 0.00 -0.10 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 1.69 -0.00 0.23 -1.33 -1.09 0.28 -4.84 121.20 116.14 2h47 s ILE 63 Ca 0.00 0.00 0.12 0.00 -2.23 0.00 0.00 60.65 58.54 2h47 s ILE 63 Cb 0.00 -0.52 -0.05 0.00 -1.58 0.00 0.00 42.46 40.31 2h47 s ILE 63 CO 0.00 0.00 -0.22 -0.83 -1.23 0.00 0.00 174.94 172.66 2h47 s GLY 64 N 0.21 1.79 -0.54 6.18 0.00 0.30 -4.58 107.32 110.69 2h47 s GLY 64 Ca -0.00 -1.75 0.04 0.00 0.00 0.00 0.00 44.72 43.01 2h47 s GLY 64 CO 0.00 -1.80 0.30 -1.59 0.00 0.00 0.00 173.10 170.01 2h47 s THR 65 N -2.05 2.34 0.17 0.90 2.01 -1.26 -0.09 115.64 117.65 2h47 s THR 65 Ca 0.25 -3.33 -0.04 0.00 0.31 0.00 0.00 61.69 58.88 2h47 s THR 65 Cb -0.07 -2.61 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 2h47 s THR 65 CO 0.12 -0.87 0.40 0.00 -0.69 0.00 0.00 174.62 173.58 2h47 s HIS 67 N -1.73 3.33 -0.59 0.00 2.46 -1.26 -1.13 115.29 116.37 2h47 s HIS 67 Ca 0.41 0.46 -0.26 0.00 0.47 0.00 0.00 55.06 56.14 2h47 s HIS 67 Cb -0.12 -2.45 0.04 0.00 -0.13 0.00 0.00 32.58 29.92 2h47 s HIS 67 CO 0.26 -0.02 1.08 1.21 -2.47 0.00 0.00 174.74 174.79 2h47 s ASN 68 N 1.15 6.35 0.00 9.88 3.84 -0.21 -4.88 114.94 131.07 2h47 s ASN 68 Ca 0.15 -0.23 0.07 0.00 0.21 0.00 0.00 52.86 53.05 2h47 s ASN 68 Cb -0.15 -2.49 0.41 0.00 -0.55 0.00 0.00 41.25 38.47 2h47 s ASN 68 CO 0.07 -1.41 0.93 -0.81 -2.79 0.00 0.00 177.10 173.10 2h47 n PRO 69 N 8.07 0.60 0.00 0.43 -0.04 -1.26 -1.05 135.00 141.75 2h47 n PRO 69 Ca 0.04 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.55 2h47 n PRO 69 Cb 0.48 -1.18 -0.01 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.68 0.00 -1.30 0.54 8.25 -1.26 -4.62 115.22 116.15 2h47 n HIS 70 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2h47 n HIS 70 Cb 0.02 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 -0.43 0.00 -2.02 0.41 5.68 -1.11 -5.01 116.55 114.07 2h47 n ASP 71 Ca 0.04 -1.00 -0.17 0.00 -0.50 0.00 0.00 54.79 53.15 2h47 n ASP 71 Cb 0.19 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.13 2h47 n ASP 71 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2h47 n GLY 72 N 0.00 0.43 3.69 6.12 0.00 -0.22 -4.99 105.19 110.23 2h47 n GLY 72 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.36 2.29 -0.16 1.61 1.02 -1.23 -4.93 119.74 113.98 2h47 s LYS 73 Ca 0.00 -1.57 -0.03 0.00 0.02 0.00 0.00 55.97 54.39 2h47 s LYS 73 Cb 0.00 -2.12 -0.02 0.00 -0.52 0.00 0.00 37.83 35.17 2h47 s LYS 73 CO 0.00 0.16 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.02 2h47 s ASP 74 N -3.79 4.51 0.27 2.83 1.01 -1.26 -1.05 116.67 119.19 2h47 s ASP 74 Ca 0.36 -0.23 0.11 0.00 0.71 0.00 0.00 52.55 53.50 2h47 s ASP 74 Cb -0.03 -1.73 -0.05 0.00 1.01 0.00 0.00 42.92 42.13 2h47 s ASP 74 CO 0.21 0.13 -0.09 -0.31 0.21 0.00 0.00 175.17 175.32 2h47 s TYR 75 N 0.58 2.52 -0.18 4.23 1.51 -0.28 0.44 117.35 126.17 2h47 s TYR 75 Ca -0.04 -0.27 -0.14 0.00 -1.01 0.00 0.00 57.07 55.61 2h47 s TYR 75 Cb -0.15 -1.11 -0.05 0.00 -0.11 0.00 0.00 41.96 40.55 2h47 s TYR 75 CO 0.03 0.66 0.29 -0.51 -1.11 0.00 0.00 175.55 174.90 2h47 s LEU 76 N -3.56 4.20 -0.16 -1.29 1.43 0.12 -1.60 118.68 117.82 2h47 s LEU 76 Ca 0.30 0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 53.84 2h47 s LEU 76 Cb -0.06 -2.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.80 2h47 s LEU 76 CO 0.18 0.06 -0.11 -0.63 0.23 0.00 0.00 176.35 176.07 2h47 s ILE 77 N 0.74 3.01 -0.24 -0.59 -1.09 0.87 -1.51 121.20 122.39 2h47 s ILE 77 Ca 0.15 -0.65 -0.16 0.00 -2.23 0.00 0.00 60.65 57.77 2h47 s ILE 77 Cb -0.13 -2.30 -0.04 0.00 -1.58 0.00 0.00 42.46 38.41 2h47 s ILE 77 CO 0.04 0.50 0.41 -0.55 -1.23 0.00 0.00 174.94 174.11 2h47 s SER 78 N 0.79 6.35 -1.13 3.58 0.15 0.12 -0.54 113.70 123.02 2h47 s SER 78 Ca -0.04 0.42 -0.07 0.00 0.70 0.00 0.00 55.95 56.95 2h47 s SER 78 Cb -0.15 -2.23 0.27 0.00 -1.71 0.00 0.00 66.02 62.20 2h47 s SER 78 CO 0.01 -0.17 1.40 -1.22 1.20 0.00 0.00 173.24 174.46 2h47 n TYR 79 N 5.09 3.56 -2.42 3.44 4.02 -1.26 -0.70 117.16 128.89 2h47 n TYR 79 Ca -0.07 -3.11 -0.39 0.00 -0.01 0.00 0.00 57.90 54.32 2h47 n TYR 79 Cb 0.51 -1.56 -0.03 0.00 -0.02 0.00 0.00 39.34 38.23 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 -1.59 3.32 0.08 -0.72 3.76 -1.22 -4.65 115.29 114.27 2h47 s HIS 80 Ca 0.33 1.63 0.02 0.00 -0.15 0.00 0.00 55.06 56.88 2h47 s HIS 80 Cb -0.00 -3.30 -0.04 0.00 1.11 0.00 0.00 32.58 30.35 2h47 s HIS 80 CO 0.03 -0.87 0.16 -0.51 -0.85 0.00 0.00 174.74 172.70 2h47 s ASP 81 N -1.10 5.99 -0.15 1.40 1.01 -1.26 -1.26 116.67 121.30 2h47 s ASP 81 Ca 0.52 0.13 -0.06 0.00 0.71 0.00 0.00 52.55 53.84 2h47 s ASP 81 Cb -0.30 -1.74 -0.04 0.00 1.01 0.00 0.00 42.92 41.86 2h47 s ASP 81 CO 0.38 0.15 0.05 0.00 0.21 0.00 0.00 175.17 175.96 2h47 n GLY 84 N 1.30 2.01 3.26 0.00 0.00 -1.06 0.57 105.19 111.27 2h47 n GLY 84 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.60 1.08 0.79 1.61 1.02 -1.26 -4.98 119.74 117.39 2h47 s LYS 85 Ca 0.00 -1.31 -0.11 0.00 0.02 0.00 0.00 55.97 54.57 2h47 s LYS 85 Cb 0.00 -0.93 0.06 0.00 -0.52 0.00 0.00 37.83 36.45 2h47 s LYS 85 CO 0.00 0.17 1.09 0.95 -0.92 0.00 0.00 175.35 176.64 2h47 s THR 86 N -2.34 3.28 -0.41 2.17 -4.23 -1.26 -3.43 115.64 109.42 2h47 s THR 86 Ca 0.12 0.42 -0.38 0.00 -1.18 0.00 0.00 61.69 60.66 2h47 s THR 86 Cb -0.04 -3.04 -0.16 0.00 1.34 0.00 0.00 72.50 70.60 2h47 s THR 86 CO 0.03 -0.54 1.35 0.00 -0.54 0.00 0.00 174.62 174.92 2h47 n ALA 87 N -3.48 -0.98 -0.02 3.99 0.00 -0.96 -4.55 120.51 114.51 2h47 n ALA 87 Ca 0.08 0.38 -0.04 0.00 0.00 0.00 0.00 53.44 53.86 2h47 n ALA 87 Cb 0.55 -1.58 0.18 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.42 0.38 3.43 0.00 0.00 -1.26 -5.00 105.19 102.32 2h47 n GLY 89 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.75 2.68 -1.16 1.61 0.52 -1.26 -4.71 118.95 115.88 2h47 s ARG 90 Ca 0.00 -0.72 -0.04 0.00 -0.52 0.00 0.00 55.73 54.45 2h47 s ARG 90 Cb 0.00 -2.40 -0.03 0.00 0.52 0.00 0.00 34.95 33.04 2h47 s ARG 90 CO 0.00 0.52 0.90 0.00 0.02 0.00 0.00 175.30 176.73 2h47 s GLN 92 N -5.18 4.42 0.10 0.00 0.74 -1.25 -2.21 119.66 116.27 2h47 s GLN 92 Ca 0.20 2.01 0.03 0.00 0.05 0.00 0.00 55.36 57.66 2h47 s GLN 92 Cb -0.04 -3.19 -0.04 0.00 1.10 0.00 0.00 33.01 30.84 2h47 s GLN 92 CO 0.76 -0.18 -0.09 0.00 -0.55 0.00 0.00 175.29 175.23 2h47 n ASN 94 N 0.32 -0.69 -4.79 0.00 5.15 -1.17 -1.14 115.26 112.95 2h47 n ASN 94 Ca -0.14 -3.31 -0.38 0.00 -0.60 0.00 0.00 54.58 50.15 2h47 n ASN 94 Cb 0.59 0.56 -0.06 0.00 -0.53 0.00 0.00 39.78 40.34 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 -1.11 5.06 -0.23 -0.44 2.01 -0.33 -4.97 115.64 115.62 2h47 s THR 95 Ca 0.32 0.91 0.12 0.00 0.31 0.00 0.00 61.69 63.35 2h47 s THR 95 Cb 0.31 -3.77 0.46 0.00 0.01 0.00 0.00 72.50 69.51 2h47 s THR 95 CO -0.07 0.48 1.35 0.00 -0.69 0.00 0.00 174.62 175.68 2h47 n GLN 96 N 2.54 1.82 -1.60 4.92 1.13 -1.24 -3.13 117.38 121.81 2h47 n GLN 96 Ca -0.11 -3.11 -0.44 0.00 -1.94 0.00 0.00 57.00 51.41 2h47 n GLN 96 Cb 0.52 -1.72 -0.03 0.00 0.11 0.00 0.00 30.24 29.11 2h47 n GLN 96 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 2h47 n THR 97 N -1.09 0.43 -0.33 5.09 -1.04 -0.19 -1.88 114.28 115.27 2h47 n THR 97 Ca 0.26 -0.37 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 2h47 n THR 97 Cb 0.87 -2.42 0.00 0.00 -1.82 0.00 0.00 70.33 66.96 2h47 n THR 97 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2h47 n ARG 98 N 8.38 0.00 -1.72 -2.82 5.12 -1.26 -4.54 116.66 119.82 2h47 n ARG 98 Ca 0.29 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.78 2h47 n ARG 98 Cb 0.42 -2.35 -0.02 0.00 -1.16 0.00 0.00 32.46 29.35 2h47 n ARG 98 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 2h47 n GLU 99 N -2.00 2.50 -4.45 5.56 0.00 -0.78 -4.98 120.64 116.48 2h47 n GLU 99 Ca 0.00 0.89 -0.22 0.00 0.00 0.00 0.00 57.16 57.82 2h47 n GLU 99 Cb 0.00 -2.64 -0.10 0.00 0.00 0.00 0.00 31.44 28.70 2h47 n GLU 99 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2h47 s ARG 100 N -0.36 1.60 1.28 5.31 1.81 -0.43 -5.00 118.95 123.15 2h47 s ARG 100 Ca 0.66 -1.77 -0.18 0.00 -1.72 0.00 0.00 55.73 52.72 2h47 s ARG 100 Cb -0.55 -1.46 0.32 0.00 -0.45 0.00 0.00 34.95 32.81 2h47 s ARG 100 CO 0.48 0.19 1.00 -2.14 -0.68 0.00 0.00 175.30 174.14 2h47 s PRO 101 N -3.61 -1.81 0.55 3.54 0.02 -1.26 -3.22 135.00 129.20 2h47 s PRO 101 Ca 0.29 0.39 0.28 0.00 0.02 0.00 0.00 61.00 61.98 2h47 s PRO 101 Cb -0.00 -1.49 1.54 0.00 0.02 0.00 0.00 34.50 34.57 2h47 s PRO 101 CO 0.13 -4.20 1.85 0.78 -0.33 0.00 0.00 177.00 175.23 2h47 h GLY 102 N -2.94 0.00 -0.46 0.52 0.00 -1.97 -1.73 103.07 96.48 2h47 h GLY 102 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.81 2h47 h GLY 102 CO 0.40 0.00 0.00 1.58 0.00 0.00 0.00 176.54 178.52 2h47 n TYR 103 N -2.67 0.07 -2.73 5.60 0.18 -1.26 -1.35 117.16 115.00 2h47 n TYR 103 Ca -0.02 -0.03 -0.04 0.00 1.88 0.00 0.00 57.90 59.69 2h47 n TYR 103 Cb 0.26 -0.04 0.07 0.00 -0.38 0.00 0.00 39.34 39.25 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 -0.25 1.41 -0.06 -3.48 1.02 -0.65 -5.04 120.64 113.59 2h47 n GLU 104 Ca 0.01 -2.68 -0.01 0.00 -0.02 0.00 0.00 57.16 54.47 2h47 n GLU 104 Cb 0.12 -0.82 -0.00 0.00 -0.02 0.00 0.00 31.44 30.72 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 -0.66 -0.02 1.00 -0.32 7.35 -0.46 0.17 117.46 124.52 2h47 n PHE 105 Ca 0.01 0.19 0.05 0.00 -0.76 0.00 0.00 57.45 56.94 2h47 n PHE 105 Cb 0.83 -0.54 0.30 0.00 0.35 0.00 0.00 39.48 40.42 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 -4.22 0.00 0.02 -5.13 3.01 -1.26 -0.99 117.46 108.89 2h47 n PHE 106 Ca 0.01 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.48 2h47 n PHE 106 Cb 0.05 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.54 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 -0.82 1.67 -4.81 4.37 4.77 0.13 0.10 117.00 122.42 2h47 n LEU 107 Ca 0.08 -1.52 -0.38 0.00 -0.03 0.00 0.00 56.01 54.16 2h47 n LEU 107 Cb 0.03 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 2h47 n LEU 107 CO 0.06 0.41 0.05 -2.28 -1.33 0.00 0.00 177.39 174.30 2h47 s HIS 108 N -0.59 3.63 -0.13 -1.77 2.46 -0.16 -1.32 115.29 117.41 2h47 s HIS 108 Ca 0.03 0.84 0.17 0.00 0.47 0.00 0.00 55.06 56.58 2h47 s HIS 108 Cb 0.02 -2.29 0.29 0.00 -0.13 0.00 0.00 32.58 30.47 2h47 s HIS 108 CO 0.02 0.52 1.16 0.27 -2.47 0.00 0.00 174.74 174.25 2h47 n ASN 109 N 2.41 2.45 -1.42 9.88 0.23 -1.26 -4.60 115.26 122.94 2h47 n ASN 109 Ca -0.14 -3.00 0.11 0.00 -0.53 0.00 0.00 54.58 51.03 2h47 n ASN 109 Cb 0.52 -0.41 0.33 0.00 -2.08 0.00 0.00 39.78 38.15 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 -1.29 4.16 -4.41 0.53 8.00 -1.26 -4.81 116.55 117.47 2h47 n ASP 110 Ca 0.15 -2.09 -0.27 0.00 0.71 0.00 0.00 54.79 53.29 2h47 n ASP 110 Cb 0.63 -0.51 -0.12 0.00 -0.02 0.00 0.00 41.12 41.10 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 -1.18 2.28 -0.45 2.53 -7.23 -1.26 -5.10 120.40 110.00 2h47 s VAL 111 Ca 0.50 -1.94 -0.29 0.00 -1.81 0.00 0.00 61.98 58.44 2h47 s VAL 111 Cb 0.27 -2.06 0.03 0.00 0.56 0.00 0.00 36.38 35.18 2h47 s VAL 111 CO 0.32 -0.07 1.13 0.21 -0.31 0.00 0.00 175.10 176.38 2h47 s ASN 112 N -2.49 6.69 0.00 4.85 2.47 -1.26 -4.89 114.94 120.30 2h47 s ASN 112 Ca 0.18 0.59 0.07 0.00 0.42 0.00 0.00 52.86 54.12 2h47 s ASN 112 Cb -0.08 -2.55 0.42 0.00 -1.45 0.00 0.00 41.25 37.59 2h47 s ASN 112 CO 0.09 -1.18 0.95 0.79 -3.72 0.00 0.00 177.10 174.02 2h47 n TRP 113 N 7.67 0.00 -0.00 0.43 7.02 -1.26 -1.33 117.44 129.97 2h47 n TRP 113 Ca 0.12 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.72 2h47 n TRP 113 Cb 0.49 0.00 0.27 0.00 -2.42 0.00 0.00 31.31 29.65 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 4.38 0.23 -0.35 0.00 -0.00 -1.45 -1.89 114.93 115.84 2h47 h MET 115 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2h47 h MET 115 Cb 0.98 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.53 2h47 h MET 115 CO 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 176.91 177.06 2h47 n ALA 116 N -2.57 2.42 -1.69 -3.00 0.00 -1.26 -4.84 120.51 109.57 2h47 n ALA 116 Ca 0.11 -0.97 -0.32 0.00 0.00 0.00 0.00 53.44 52.26 2h47 n ALA 116 Cb 0.51 -0.85 0.02 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.51 5.85 0.31 0.00 0.01 -0.71 -4.92 114.94 113.96 2h47 s ASN 117 Ca 0.37 1.67 0.05 0.00 -0.71 0.00 0.00 52.86 54.23 2h47 s ASN 117 Cb 0.22 -2.51 0.81 0.00 0.41 0.00 0.00 41.25 40.18 2h47 s ASN 117 CO 0.31 -1.12 1.61 -0.08 -1.51 0.00 0.00 177.10 176.32 2h47 h GLU 118 N 0.07 0.12 -3.84 -0.60 4.57 -1.94 -3.31 114.58 109.64 2h47 h GLU 118 Ca -0.46 -0.01 -0.48 0.00 -1.18 0.00 0.00 59.36 57.23 2h47 h GLU 118 Cb 1.21 -0.03 -0.38 0.00 -0.16 0.00 0.00 28.75 29.39 2h47 h GLU 118 CO 0.58 0.08 -0.78 1.21 -1.18 0.00 0.00 179.01 178.92 2h47 s ASN 119 N -4.99 2.10 0.00 1.04 3.84 -1.26 -5.06 114.94 110.62 2h47 s ASN 119 Ca -0.12 -0.33 0.19 0.00 0.21 0.00 0.00 52.86 52.81 2h47 s ASN 119 Cb 0.28 -0.61 0.95 0.00 -0.55 0.00 0.00 41.25 41.32 2h47 s ASN 119 CO 0.77 -0.20 1.60 -1.54 -2.79 0.00 0.00 177.10 174.94 2h47 n SER 120 N 5.05 0.00 -4.75 -4.21 3.41 -1.25 -3.82 113.62 108.06 2h47 n SER 120 Ca -0.09 0.07 -0.41 0.00 -0.26 0.00 0.00 58.87 58.18 2h47 n SER 120 Cb 0.49 -0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 2h47 n SER 120 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2h47 s THR 121 N -2.62 2.27 -0.08 6.66 -1.32 -1.26 -4.57 115.64 114.71 2h47 s THR 121 Ca 0.17 0.23 -0.18 0.00 -1.21 0.00 0.00 61.69 60.70 2h47 s THR 121 Cb 0.13 -3.15 -0.05 0.00 -1.51 0.00 0.00 72.50 67.92 2h47 s THR 121 CO 0.30 0.04 0.50 0.12 -2.21 0.00 0.00 174.62 173.37 2h47 s PHE 122 N -0.06 3.57 -0.11 9.09 5.36 -1.26 -2.55 117.98 132.02 2h47 s PHE 122 Ca 0.61 0.97 -0.05 0.00 -0.96 0.00 0.00 56.93 57.51 2h47 s PHE 122 Cb -0.46 -2.55 -0.05 0.00 -0.34 0.00 0.00 43.02 39.63 2h47 s PHE 122 CO 0.47 0.24 -0.14 1.58 -1.46 0.00 0.00 175.22 175.92 2h47 n HIS 123 N 3.33 0.00 -3.70 10.12 -0.00 -0.82 -2.26 115.22 121.88 2h47 n HIS 123 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.64 2h47 n HIS 123 Cb 0.52 -0.40 -0.01 0.00 -0.00 0.00 0.00 29.99 30.10 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 -2.74 3.42 0.24 0.00 2.01 0.39 -1.42 115.64 117.54 2h47 s THR 125 Ca 0.14 -0.55 0.07 0.00 0.31 0.00 0.00 61.69 61.66 2h47 s THR 125 Cb 0.02 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 2h47 s THR 125 CO -0.01 0.54 0.19 0.42 -0.69 0.00 0.00 174.62 175.07 2h47 s THR 126 N -0.05 4.44 -0.65 -0.82 -4.23 -0.39 -2.50 115.64 111.44 2h47 s THR 126 Ca -0.01 -1.37 0.05 0.00 -1.18 0.00 0.00 61.69 59.18 2h47 s THR 126 Cb -0.14 -3.38 0.18 0.00 1.34 0.00 0.00 72.50 70.50 2h47 s THR 126 CO 0.03 -0.32 0.50 -1.20 -0.54 0.00 0.00 174.62 173.10 2h47 n SER 127 N -1.06 2.49 -4.68 3.99 7.64 0.72 -3.44 113.62 119.28 2h47 n SER 127 Ca -0.08 -3.09 -0.42 0.00 1.01 0.00 0.00 58.87 56.28 2h47 n SER 127 Cb 0.57 -0.71 -0.03 0.00 -1.01 0.00 0.00 64.21 63.04 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 -1.34 4.25 -0.22 0.44 1.01 0.12 -4.77 120.40 119.90 2h47 s VAL 128 Ca 0.28 1.57 -0.28 0.00 0.00 0.00 0.00 61.98 63.55 2h47 s VAL 128 Cb -0.00 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.38 2h47 s VAL 128 CO -0.16 -0.03 1.00 -0.22 0.00 0.00 0.00 175.10 175.69 2h47 s LEU 129 N 2.49 4.11 -0.07 3.92 2.96 -1.26 0.11 118.68 130.94 2h47 s LEU 129 Ca 0.56 1.33 -0.02 0.00 -0.22 0.00 0.00 54.13 55.78 2h47 s LEU 129 Cb -0.24 -3.48 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 2h47 s LEU 129 CO 0.20 -0.62 -0.03 0.58 -1.32 0.00 0.00 176.35 175.16 2h47 h VAL 130 N 5.41 0.00 0.00 1.68 2.07 -1.64 -3.48 116.25 120.28 2h47 h VAL 130 Ca -0.21 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.66 2h47 h VAL 130 Cb 1.08 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2h47 h VAL 130 CO 0.95 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.15 2h47 n GLY 131 N 1.80 -1.43 3.49 2.17 0.00 -1.24 -5.01 105.19 104.96 2h47 n GLY 131 Ca -0.01 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 2h47 n GLY 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2h47 n LEU 132 N 0.00 1.03 -5.01 0.99 4.77 -1.26 -0.70 117.00 116.81 2h47 n LEU 132 Ca 0.00 0.44 -0.22 0.00 -0.03 0.00 0.00 56.01 56.20 2h47 n LEU 132 Cb 0.00 -1.28 0.05 0.00 -2.33 0.00 0.00 43.42 39.86 2h47 n LEU 132 CO 0.00 -3.10 0.29 0.00 -1.33 0.00 0.00 177.39 173.26 2h47 s ALA 133 N -2.25 4.69 0.00 -1.18 0.00 0.17 -4.38 121.76 118.81 2h47 s ALA 133 Ca 0.62 -1.92 0.00 0.00 0.00 0.00 0.00 51.96 50.66 2h47 s ALA 133 Cb -0.26 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.63 2h47 s ALA 133 CO 0.62 -0.83 0.00 1.63 0.00 0.00 0.00 175.76 177.18 2h47 n LYS 134 N -2.17 0.00 -0.11 0.00 4.76 -1.26 -4.97 118.16 114.40 2h47 n LYS 134 Ca 0.12 0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 2h47 n LYS 134 Cb 0.63 -0.30 0.00 0.00 -1.84 0.00 0.00 35.03 33.51 2h47 n LYS 134 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12