#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 -1.77 0.00 -0.67 -0.00 -1.26 -4.54 115.22 106.98 2h47 n HIS 12 Ca 0.00 0.64 0.00 0.00 0.46 0.00 0.00 57.72 58.82 2h47 n HIS 12 Cb 0.00 -3.80 0.00 0.00 -0.12 0.00 0.00 29.99 26.07 2h47 n HIS 12 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 2h47 n ILE 13 N -2.87 0.00 0.69 3.57 -5.35 -1.26 -3.18 119.36 110.96 2h47 n ILE 13 Ca -0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 2h47 n ILE 13 Cb 0.59 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 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 0.00 0.02 -0.25 7.28 3.41 -1.26 -2.43 113.62 120.39 2h47 n SER 14 Ca 0.00 -0.70 0.04 0.00 -0.26 0.00 0.00 58.87 57.94 2h47 n SER 14 Cb 0.00 -0.01 0.02 0.00 -0.26 0.00 0.00 64.21 63.96 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 -0.46 1.40 -4.03 1.04 4.77 -1.19 -4.83 117.00 113.69 2h47 n LEU 15 Ca 0.00 -0.92 -0.33 0.00 -0.03 0.00 0.00 56.01 54.73 2h47 n LEU 15 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.98 2h47 n LEU 15 CO 0.00 0.29 -0.08 0.21 -1.33 0.00 0.00 177.39 176.48 2h47 s ASN 16 N -0.77 4.83 0.20 -1.43 3.84 -1.02 -4.94 114.94 115.65 2h47 s ASN 16 Ca 0.08 -2.84 -0.11 0.00 0.21 0.00 0.00 52.86 50.19 2h47 s ASN 16 Cb 0.06 -1.75 0.23 0.00 -0.55 0.00 0.00 41.25 39.24 2h47 s ASN 16 CO 0.12 -0.32 1.75 -0.65 -2.79 0.00 0.00 177.10 175.21 2h47 h PRO 17 N 6.89 0.41 -1.34 0.43 0.11 -1.88 -0.83 132.00 135.78 2h47 h PRO 17 Ca -0.05 -0.02 0.39 0.00 0.11 0.00 0.00 66.00 66.43 2h47 h PRO 17 Cb 0.93 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.90 2h47 h PRO 17 CO 0.69 0.27 1.03 0.22 -0.21 0.00 0.00 178.00 180.01 2h47 h ASP 18 N 0.42 0.00 0.03 -2.05 -0.00 -1.97 -0.92 116.42 111.93 2h47 h ASP 18 Ca 0.28 0.00 -0.21 0.00 -0.00 0.00 0.00 57.03 57.10 2h47 h ASP 18 Cb 0.30 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 39.59 2h47 h ASP 18 CO -0.26 0.00 -2.19 0.18 -0.00 0.00 0.00 179.24 176.97 2h47 n LEU 19 N -3.96 0.04 0.00 2.28 4.77 -0.35 -5.00 117.00 114.78 2h47 n LEU 19 Ca 0.29 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 56.16 2h47 n LEU 19 Cb 1.46 0.28 0.13 0.00 -2.33 0.00 0.00 43.42 42.96 2h47 n LEU 19 CO 0.39 0.28 0.15 0.00 -1.33 0.00 0.00 177.39 176.88 2h47 n ALA 20 N -2.54 -2.28 -2.58 -1.18 0.00 -0.35 -4.92 120.51 106.66 2h47 n ALA 20 Ca -0.20 -0.66 -0.41 0.00 0.00 0.00 0.00 53.44 52.17 2h47 n ALA 20 Cb 0.91 -0.06 -0.08 0.00 0.00 0.00 0.00 19.45 20.22 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 -2.39 6.36 0.12 0.00 0.02 -1.26 -5.00 114.94 112.78 2h47 s ASN 21 Ca 0.29 0.16 -0.23 0.00 -1.02 0.00 0.00 52.86 52.06 2h47 s ASN 21 Cb -0.05 -2.28 -0.05 0.00 0.02 0.00 0.00 41.25 38.89 2h47 s ASN 21 CO 0.24 -0.43 1.22 -1.84 0.02 0.00 0.00 177.10 176.32 2h47 n GLU 22 N 5.71 -0.33 0.00 -0.60 0.28 -1.26 -1.74 120.64 122.71 2h47 n GLU 22 Ca -0.04 1.20 0.00 0.00 -0.16 0.00 0.00 57.16 58.16 2h47 n GLU 22 Cb 0.49 -1.77 0.00 0.00 1.43 0.00 0.00 31.44 31.59 2h47 n GLU 22 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2h47 n ASP 23 N -4.81 0.02 0.00 -1.84 5.68 -1.26 -0.87 116.55 113.47 2h47 n ASP 23 Ca 0.01 -0.56 0.00 0.00 -0.50 0.00 0.00 54.79 53.74 2h47 n ASP 23 Cb 0.19 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 2h47 n ASP 23 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2h47 n GLU 24 N -0.43 3.07 0.14 0.11 2.13 -0.71 -4.30 120.64 120.65 2h47 n GLU 24 Ca 0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 2h47 n GLU 24 Cb 0.01 -0.70 0.12 0.00 0.27 0.00 0.00 31.44 31.13 2h47 n GLU 24 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2h47 h VAL 25 N 0.00 0.00 -0.40 6.31 2.07 -0.86 -3.00 116.25 120.38 2h47 h VAL 25 Ca 0.00 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.63 2h47 h VAL 25 Cb 0.00 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2h47 h VAL 25 CO 0.00 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.18 2h47 n ASN 26 N -2.73 2.57 -4.85 0.57 3.02 -0.56 -4.87 115.26 108.40 2h47 n ASN 26 Ca 0.02 -1.93 -0.36 0.00 -0.03 0.00 0.00 54.58 52.28 2h47 n ASN 26 Cb 0.52 -0.26 -0.06 0.00 -0.61 0.00 0.00 39.78 39.37 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 -1.23 6.70 0.61 6.41 0.15 -1.13 -4.95 113.70 120.26 2h47 s SER 27 Ca 0.34 0.85 0.39 0.00 0.70 0.00 0.00 55.95 58.23 2h47 s SER 27 Cb 0.18 -2.20 1.93 0.00 -1.71 0.00 0.00 66.02 64.22 2h47 s SER 27 CO 0.25 0.25 2.20 0.00 1.20 0.00 0.00 173.24 177.14 2h47 h ASP 29 N 0.00 0.00 -1.52 0.00 3.32 -1.92 -3.44 116.42 112.86 2h47 h ASP 29 Ca -0.00 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.35 2h47 h ASP 29 Cb 0.23 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.85 2h47 h ASP 29 CO 0.00 0.00 0.15 0.00 -1.72 0.00 0.00 179.24 177.67 2h47 n TYR 30 N -2.90 0.93 -0.33 4.55 -0.00 -0.65 -4.80 117.16 113.97 2h47 n TYR 30 Ca 0.03 0.81 0.09 0.00 -0.00 0.00 0.00 57.90 58.83 2h47 n TYR 30 Cb 0.42 -2.20 0.29 0.00 -0.00 0.00 0.00 39.34 37.85 2h47 n TYR 30 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.86 176.97 2h47 h TRP 31 N 3.19 1.04 -0.07 2.98 5.08 -1.90 -2.10 115.95 124.17 2h47 h TRP 31 Ca -0.44 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.56 2h47 h TRP 31 Cb 1.38 -0.33 0.00 0.00 -3.00 0.00 0.00 29.16 27.21 2h47 h TRP 31 CO 0.54 0.40 0.00 2.89 -1.28 0.00 0.00 178.44 180.99 2h47 n ARG 32 N -4.60 1.25 -0.33 0.12 1.85 -1.26 -3.25 116.66 110.44 2h47 n ARG 32 Ca 0.19 -0.29 0.07 0.00 -1.00 0.00 0.00 57.85 56.82 2h47 n ARG 32 Cb 0.40 -1.24 0.21 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 -0.16 0.71 0.24 2.89 8.25 -0.79 -4.77 115.22 121.60 2h47 n HIS 33 Ca 0.03 -0.75 0.15 0.00 -0.26 0.00 0.00 57.72 56.88 2h47 n HIS 33 Cb 0.16 -0.21 0.80 0.00 1.12 0.00 0.00 29.99 31.86 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 -1.86 2.34 -2.68 0.00 0.00 -1.25 -1.06 120.51 116.00 2h47 n ALA 35 Ca -0.02 -2.29 -0.40 0.00 0.00 0.00 0.00 53.44 50.73 2h47 n ALA 35 Cb 0.12 -0.42 -0.04 0.00 0.00 0.00 0.00 19.45 19.11 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 -2.11 4.98 -0.35 0.00 1.01 -0.79 -4.82 120.40 118.31 2h47 s VAL 36 Ca 0.25 1.56 -0.00 0.00 0.00 0.00 0.00 61.98 63.78 2h47 s VAL 36 Cb 0.23 -4.09 0.13 0.00 0.00 0.00 0.00 36.38 32.64 2h47 s VAL 36 CO 0.01 0.25 0.19 -0.62 0.00 0.00 0.00 175.10 174.92 2h47 s ASP 37 N 0.72 3.37 0.00 3.32 2.15 -1.19 -0.96 116.67 124.08 2h47 s ASP 37 Ca 0.40 -2.03 0.00 0.00 0.43 0.00 0.00 52.55 51.35 2h47 s ASP 37 Cb -0.19 -0.59 0.00 0.00 -0.30 0.00 0.00 42.92 41.85 2h47 s ASP 37 CO 0.20 -0.34 0.00 0.61 -0.17 0.00 0.00 175.17 175.47 2h47 n GLY 38 N 4.28 -0.67 3.12 2.66 0.00 -0.68 -4.98 105.19 108.92 2h47 n GLY 38 Ca 0.06 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.70 1.88 -0.05 1.61 0.40 -1.26 -0.92 117.98 115.94 2h47 s PHE 39 Ca 0.00 -0.67 -0.30 0.00 -0.60 0.00 0.00 56.93 55.36 2h47 s PHE 39 Cb 0.00 -1.29 -0.06 0.00 0.51 0.00 0.00 43.02 42.18 2h47 s PHE 39 CO 0.00 -0.28 1.65 -0.51 0.70 0.00 0.00 175.22 176.77 2h47 s LEU 40 N 0.36 4.32 0.46 -0.37 1.43 -0.70 -0.24 118.68 123.94 2h47 s LEU 40 Ca -0.12 2.24 0.14 0.00 -1.03 0.00 0.00 54.13 55.36 2h47 s LEU 40 Cb -0.15 -3.54 1.09 0.00 0.03 0.00 0.00 46.19 43.62 2h47 s LEU 40 CO 0.05 -0.92 2.06 0.00 0.23 0.00 0.00 176.35 177.77 2h47 n SER 42 N -4.48 0.00 -0.15 0.00 3.41 -1.24 0.18 113.62 111.34 2h47 n SER 42 Ca 0.04 0.26 0.07 0.00 -0.26 0.00 0.00 58.87 58.97 2h47 n SER 42 Cb 0.21 -0.26 0.12 0.00 -0.26 0.00 0.00 64.21 64.01 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 -0.73 0.76 0.44 0.00 0.00 -1.25 -4.62 105.19 99.79 2h47 n GLY 45 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.47 3.96 3.76 -0.02 0.00 -1.13 -4.20 105.19 105.09 2h47 n GLY 46 Ca 0.00 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 43.86 2h47 n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2h47 s THR 47 N -1.87 1.63 -1.23 2.61 -4.23 -1.16 -3.62 115.64 107.78 2h47 s THR 47 Ca 0.03 -1.85 0.05 0.00 -1.18 0.00 0.00 61.69 58.75 2h47 s THR 47 Cb 0.00 -2.48 0.07 0.00 1.34 0.00 0.00 72.50 71.43 2h47 s THR 47 CO 0.02 0.00 1.09 0.35 -0.54 0.00 0.00 174.62 175.54 2h47 n THR 48 N -1.29 1.25 -0.59 3.99 -2.24 -1.26 -2.47 114.28 111.67 2h47 n THR 48 Ca -0.10 0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 2h47 n THR 48 Cb 0.66 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 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 -1.38 0.16 -4.18 4.28 -2.24 -1.26 -1.49 114.28 108.16 2h47 n THR 49 Ca 0.02 -0.28 -0.14 0.00 -2.27 0.00 0.00 64.05 61.38 2h47 n THR 49 Cb 0.05 1.29 -0.11 0.00 -2.10 0.00 0.00 70.33 69.46 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 -0.16 0.94 0.09 4.28 -4.23 -1.03 -5.03 115.64 110.50 2h47 s THR 50 Ca 0.00 -1.71 -0.14 0.00 -1.18 0.00 0.00 61.69 58.66 2h47 s THR 50 Cb 0.00 -1.44 -0.06 0.00 1.34 0.00 0.00 72.50 72.33 2h47 s THR 50 CO 0.00 -0.61 0.49 0.00 -0.54 0.00 0.00 174.62 173.96 2h47 n PRO 52 N 1.19 1.33 -1.53 0.00 -0.02 -1.26 -4.75 135.00 129.96 2h47 n PRO 52 Ca -0.09 0.48 -0.56 0.00 -2.02 0.00 0.00 63.50 61.32 2h47 n PRO 52 Cb 0.52 -2.16 -0.07 0.00 -0.02 0.00 0.00 33.50 31.77 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 -0.25 0.40 -0.12 0.52 -0.02 -1.26 -0.86 135.00 133.41 2h47 n PRO 53 Ca 0.10 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2h47 n PRO 53 Cb 0.42 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 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 1.86 1.83 3.81 -1.23 0.00 -1.26 -5.03 105.19 105.16 2h47 n GLY 54 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.30 6.41 -0.20 1.61 1.04 -0.04 -4.78 113.70 114.44 2h47 s SER 55 Ca 0.00 0.48 -0.17 0.00 0.48 0.00 0.00 55.95 56.74 2h47 s SER 55 Cb 0.00 -2.12 -0.04 0.00 0.10 0.00 0.00 66.02 63.96 2h47 s SER 55 CO 0.00 0.28 0.44 -0.89 0.98 0.00 0.00 173.24 174.05 2h47 s THR 56 N -0.39 5.17 0.55 2.02 2.01 0.23 -4.68 115.64 120.53 2h47 s THR 56 Ca 0.15 0.80 -0.21 0.00 0.31 0.00 0.00 61.69 62.73 2h47 s THR 56 Cb -0.13 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.57 2h47 s THR 56 CO 0.04 0.23 1.32 -2.84 -0.69 0.00 0.00 174.62 172.68 2h47 s PRO 57 N 1.39 3.14 0.13 4.92 0.02 -1.26 0.30 135.00 143.63 2h47 s PRO 57 Ca 0.21 2.15 -0.11 0.00 0.02 0.00 0.00 61.00 63.27 2h47 s PRO 57 Cb -0.15 -2.21 -0.06 0.00 0.02 0.00 0.00 34.50 32.09 2h47 s PRO 57 CO 0.09 -1.16 0.47 -1.54 -0.33 0.00 0.00 177.00 174.52 2h47 s SER 58 N -1.07 6.68 0.15 2.53 1.04 0.13 -4.85 113.70 118.31 2h47 s SER 58 Ca 0.72 0.88 0.08 0.00 0.48 0.00 0.00 55.95 58.11 2h47 s SER 58 Cb -0.38 -2.21 -0.11 0.00 0.10 0.00 0.00 66.02 63.41 2h47 s SER 58 CO 0.45 0.10 1.34 1.55 0.98 0.00 0.00 173.24 177.66 2h47 h PRO 59 N 3.42 0.00 -6.28 4.02 0.13 -1.91 -3.44 132.00 127.94 2h47 h PRO 59 Ca -0.48 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.11 2h47 h PRO 59 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2h47 h PRO 59 CO 0.67 0.93 -0.19 0.96 -0.23 0.00 0.00 178.00 180.13 2h47 s ILE 60 N -2.85 1.83 0.00 -3.56 -4.36 -1.26 -5.13 121.20 105.87 2h47 s ILE 60 Ca 0.01 -1.25 0.00 0.00 -0.26 0.00 0.00 60.65 59.15 2h47 s ILE 60 Cb 0.10 -2.08 0.00 0.00 1.25 0.00 0.00 42.46 41.73 2h47 s ILE 60 CO 0.81 0.00 0.00 -1.54 0.24 0.00 0.00 174.94 174.45 2h47 n SER 61 N -2.02 0.00 -3.53 4.36 3.41 -1.26 -4.61 113.62 109.96 2h47 n SER 61 Ca 0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.54 2h47 n SER 61 Cb 0.63 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.53 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 -1.72 0.00 0.08 -1.33 1.01 0.72 -4.86 121.20 115.11 2h47 s ILE 63 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 60.65 60.67 2h47 s ILE 63 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 2h47 s ILE 63 CO 0.00 0.00 -0.06 -0.83 0.00 0.00 0.00 174.94 174.05 2h47 s GLY 64 N -1.38 0.70 -0.42 6.18 0.00 0.74 -4.52 107.32 108.61 2h47 s GLY 64 Ca -0.05 -1.24 -0.02 0.00 0.00 0.00 0.00 44.72 43.41 2h47 s GLY 64 CO 0.04 -1.34 0.21 -1.59 0.00 0.00 0.00 173.10 170.42 2h47 s THR 65 N -3.28 3.20 0.06 0.90 2.01 -1.26 -0.12 115.64 117.15 2h47 s THR 65 Ca 0.08 -2.20 0.00 0.00 0.31 0.00 0.00 61.69 59.88 2h47 s THR 65 Cb 0.03 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 2h47 s THR 65 CO -0.04 -0.70 0.20 0.00 -0.69 0.00 0.00 174.62 173.38 2h47 s HIS 67 N -1.50 3.23 -0.56 0.00 2.46 -1.26 -0.36 115.29 117.30 2h47 s HIS 67 Ca 0.34 0.15 -0.28 0.00 0.47 0.00 0.00 55.06 55.74 2h47 s HIS 67 Cb -0.13 -2.48 0.03 0.00 -0.13 0.00 0.00 32.58 29.87 2h47 s HIS 67 CO 0.27 -0.23 1.24 1.21 -2.47 0.00 0.00 174.74 174.77 2h47 s ASN 68 N 1.72 6.39 0.14 9.88 3.84 0.24 -4.87 114.94 132.30 2h47 s ASN 68 Ca 0.10 0.21 0.17 0.00 0.21 0.00 0.00 52.86 53.54 2h47 s ASN 68 Cb -0.16 -2.55 0.75 0.00 -0.55 0.00 0.00 41.25 38.73 2h47 s ASN 68 CO 0.11 -1.51 1.52 -0.81 -2.79 0.00 0.00 177.10 173.62 2h47 n PRO 69 N 8.43 0.09 0.05 0.43 -0.04 -1.26 -2.03 135.00 140.67 2h47 n PRO 69 Ca 0.10 0.41 -0.05 0.00 -0.04 0.00 0.00 63.50 63.91 2h47 n PRO 69 Cb 0.49 -1.71 -0.10 0.00 -0.04 0.00 0.00 33.50 32.14 2h47 n PRO 69 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2h47 h HIS 70 N 0.00 0.00 -0.17 0.54 3.86 -1.94 -3.36 115.15 114.07 2h47 h HIS 70 Ca 0.00 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.04 2h47 h HIS 70 Cb 0.22 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 28.46 2h47 h HIS 70 CO 0.00 0.90 -0.79 -0.40 0.86 0.00 0.00 177.93 178.50 2h47 n ASP 71 N -3.23 2.02 -2.26 2.45 5.68 -1.07 -4.98 116.55 115.15 2h47 n ASP 71 Ca -0.04 -3.10 -0.05 0.00 -0.50 0.00 0.00 54.79 51.10 2h47 n ASP 71 Cb 0.93 -0.42 -0.01 0.00 -1.14 0.00 0.00 41.12 40.47 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 -0.51 -0.35 3.19 6.12 0.00 -0.86 -4.86 105.19 107.92 2h47 n GLY 72 Ca 0.18 0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.97 1.68 -0.22 1.61 1.02 -1.17 -4.97 119.74 113.72 2h47 s LYS 73 Ca 0.11 -0.70 -0.19 0.00 0.02 0.00 0.00 55.97 55.20 2h47 s LYS 73 Cb -0.06 -1.58 -0.03 0.00 -0.52 0.00 0.00 37.83 35.64 2h47 s LYS 73 CO 0.13 0.39 0.57 -0.51 -0.92 0.00 0.00 175.35 175.01 2h47 s ASP 74 N -0.36 6.57 0.34 2.83 1.01 -1.26 -0.59 116.67 125.22 2h47 s ASP 74 Ca 0.05 0.69 0.08 0.00 0.71 0.00 0.00 52.55 54.08 2h47 s ASP 74 Cb -0.09 -2.31 -0.03 0.00 1.01 0.00 0.00 42.92 41.50 2h47 s ASP 74 CO -0.00 -0.27 0.22 -0.31 0.21 0.00 0.00 175.17 175.03 2h47 s TYR 75 N 2.04 2.80 -0.32 4.23 1.51 0.51 -0.62 117.35 127.51 2h47 s TYR 75 Ca 0.25 -0.35 -0.09 0.00 -1.01 0.00 0.00 57.07 55.87 2h47 s TYR 75 Cb -0.16 -1.74 0.00 0.00 -0.11 0.00 0.00 41.96 39.96 2h47 s TYR 75 CO 0.09 0.25 0.15 -1.17 -1.11 0.00 0.00 175.55 173.75 2h47 s LEU 76 N -3.93 4.17 -0.19 -1.29 0.20 0.12 -1.70 118.68 116.06 2h47 s LEU 76 Ca 0.40 -0.67 -0.06 0.00 0.69 0.00 0.00 54.13 54.49 2h47 s LEU 76 Cb -0.04 -1.98 -0.03 0.00 -0.43 0.00 0.00 46.19 43.71 2h47 s LEU 76 CO 0.25 -0.23 0.03 -0.63 -0.29 0.00 0.00 176.35 175.48 2h47 s ILE 77 N 1.57 4.40 -0.25 6.68 -1.09 0.82 -1.22 121.20 132.12 2h47 s ILE 77 Ca 0.04 -0.17 -0.10 0.00 -2.23 0.00 0.00 60.65 58.19 2h47 s ILE 77 Cb -0.18 -2.98 -0.05 0.00 -1.58 0.00 0.00 42.46 37.67 2h47 s ILE 77 CO 0.05 0.44 0.15 -0.55 -1.23 0.00 0.00 174.94 173.80 2h47 s SER 78 N 0.66 5.92 -0.95 3.58 0.15 0.70 -0.19 113.70 123.57 2h47 s SER 78 Ca 0.02 0.04 -0.12 0.00 0.70 0.00 0.00 55.95 56.58 2h47 s SER 78 Cb -0.14 -2.07 0.24 0.00 -1.71 0.00 0.00 66.02 62.35 2h47 s SER 78 CO 0.02 0.03 0.91 -0.31 1.20 0.00 0.00 173.24 175.10 2h47 s TYR 79 N 1.24 3.98 0.06 3.44 1.51 -1.26 -1.22 117.35 125.10 2h47 s TYR 79 Ca 0.07 -2.30 -0.28 0.00 -1.01 0.00 0.00 57.07 53.55 2h47 s TYR 79 Cb -0.14 -3.82 -0.05 0.00 -0.11 0.00 0.00 41.96 37.83 2h47 s TYR 79 CO 0.06 -0.97 0.88 -1.01 -1.11 0.00 0.00 175.55 173.39 2h47 s HIS 80 N -0.46 3.75 0.39 2.71 3.76 -1.25 -4.72 115.29 119.48 2h47 s HIS 80 Ca 0.23 1.63 -0.04 0.00 -0.15 0.00 0.00 55.06 56.74 2h47 s HIS 80 Cb -0.10 -2.96 -0.04 0.00 1.11 0.00 0.00 32.58 30.59 2h47 s HIS 80 CO -0.09 0.20 0.66 -0.51 -0.85 0.00 0.00 174.74 174.15 2h47 s ASP 81 N 0.15 6.34 -0.08 1.40 1.01 -1.26 -1.42 116.67 122.81 2h47 s ASP 81 Ca 0.44 0.75 -0.01 0.00 0.71 0.00 0.00 52.55 54.44 2h47 s ASP 81 Cb -0.22 -2.17 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 2h47 s ASP 81 CO 0.26 -0.39 -0.00 0.00 0.21 0.00 0.00 175.17 175.25 2h47 n GLY 84 N -0.52 0.25 2.94 0.00 0.00 -1.09 0.74 105.19 107.51 2h47 n GLY 84 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.91 0.23 1.29 1.61 1.02 -1.26 -4.98 119.74 116.74 2h47 s LYS 85 Ca 0.00 -0.31 -0.17 0.00 0.02 0.00 0.00 55.97 55.51 2h47 s LYS 85 Cb 0.00 -0.07 0.31 0.00 -0.52 0.00 0.00 37.83 37.55 2h47 s LYS 85 CO 0.00 0.01 0.87 0.25 -0.92 0.00 0.00 175.35 175.56 2h47 n THR 86 N 2.41 0.00 -1.62 2.17 -2.24 -1.26 -3.37 114.28 110.37 2h47 n THR 86 Ca -0.17 -0.31 -0.48 0.00 -2.27 0.00 0.00 64.05 60.81 2h47 n THR 86 Cb 0.58 -0.95 -0.04 0.00 -2.10 0.00 0.00 70.33 67.81 2h47 n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h47 n ALA 87 N -5.27 -0.06 0.12 6.98 0.00 -1.13 -4.46 120.51 116.69 2h47 n ALA 87 Ca 0.06 0.47 -0.03 0.00 0.00 0.00 0.00 53.44 53.94 2h47 n ALA 87 Cb 0.56 -2.15 0.14 0.00 0.00 0.00 0.00 19.45 18.00 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 0.33 0.18 3.67 0.00 0.00 -1.26 -4.97 105.19 103.14 2h47 n GLY 89 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.98 2.45 -1.09 1.61 0.52 -1.26 -4.74 118.95 115.46 2h47 s ARG 90 Ca 0.00 -1.01 -0.23 0.00 -0.52 0.00 0.00 55.73 53.97 2h47 s ARG 90 Cb 0.00 -2.42 0.03 0.00 0.52 0.00 0.00 34.95 33.07 2h47 s ARG 90 CO 0.00 0.49 0.68 0.00 0.02 0.00 0.00 175.30 176.48 2h47 s GLN 92 N -6.47 4.61 -0.00 0.00 0.74 -1.26 -1.73 119.66 115.55 2h47 s GLN 92 Ca 0.35 1.58 0.02 0.00 0.05 0.00 0.00 55.36 57.36 2h47 s GLN 92 Cb -0.18 -3.35 -0.01 0.00 1.10 0.00 0.00 33.01 30.57 2h47 s GLN 92 CO 0.93 0.06 -0.06 0.00 -0.55 0.00 0.00 175.29 175.68 2h47 s ASN 94 N -0.21 3.04 -0.07 0.00 2.47 -1.18 -1.69 114.94 117.30 2h47 s ASN 94 Ca 0.02 -2.68 0.05 0.00 0.42 0.00 0.00 52.86 50.67 2h47 s ASN 94 Cb -0.03 -0.75 -0.01 0.00 -1.45 0.00 0.00 41.25 39.02 2h47 s ASN 94 CO -0.00 -0.24 -0.25 -0.89 -3.72 0.00 0.00 177.10 172.00 2h47 s THR 95 N 0.37 2.07 -0.34 -5.21 2.01 -0.13 -5.00 115.64 109.41 2h47 s THR 95 Ca 0.22 -1.05 0.06 0.00 0.31 0.00 0.00 61.69 61.23 2h47 s THR 95 Cb -0.16 -1.76 0.46 0.00 0.01 0.00 0.00 72.50 71.05 2h47 s THR 95 CO -0.05 0.57 1.29 0.00 -0.69 0.00 0.00 174.62 175.73 2h47 n GLN 96 N 3.16 3.51 -2.29 4.92 1.13 -1.22 -3.22 117.38 123.36 2h47 n GLN 96 Ca -0.18 -4.08 -0.42 0.00 -1.94 0.00 0.00 57.00 50.38 2h47 n GLN 96 Cb 0.52 -2.28 -0.03 0.00 0.11 0.00 0.00 30.24 28.57 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 -4.65 3.93 -1.44 5.09 2.01 -0.22 -2.99 115.64 117.36 2h47 s THR 97 Ca 0.53 1.25 -0.09 0.00 0.31 0.00 0.00 61.69 63.69 2h47 s THR 97 Cb 0.42 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 69.15 2h47 s THR 97 CO 0.03 -0.03 0.98 0.54 -0.69 0.00 0.00 174.62 175.44 2h47 n ARG 98 N 5.73 -6.62 -4.54 4.92 5.12 -1.26 -4.49 116.66 115.52 2h47 n ARG 98 Ca 0.13 0.80 -0.34 0.00 -1.93 0.00 0.00 57.85 56.51 2h47 n ARG 98 Cb 0.44 -5.77 -0.11 0.00 -1.16 0.00 0.00 32.46 25.86 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 -6.19 2.86 0.15 5.56 -6.30 -1.16 -4.69 118.70 108.93 2h47 s GLU 99 Ca 0.52 -0.51 0.04 0.00 -2.50 0.00 0.00 54.97 52.52 2h47 s GLU 99 Cb -0.24 -2.66 -0.04 0.00 0.00 0.00 0.00 34.13 31.19 2h47 s GLU 99 CO 0.64 0.66 -0.08 1.03 0.02 0.00 0.00 175.26 177.53 2h47 s ARG 100 N -0.78 1.05 1.29 4.30 1.81 0.26 -5.01 118.95 121.87 2h47 s ARG 100 Ca 0.12 -1.46 -0.19 0.00 -1.72 0.00 0.00 55.73 52.48 2h47 s ARG 100 Cb -0.11 -0.54 0.30 0.00 -0.45 0.00 0.00 34.95 34.15 2h47 s ARG 100 CO 0.02 0.03 0.71 -2.30 -0.68 0.00 0.00 175.30 173.08 2h47 n PRO 101 N -0.20 -3.49 -0.05 3.54 -0.02 -1.26 -3.36 135.00 130.16 2h47 n PRO 101 Ca -0.10 -1.02 0.24 0.00 -2.02 0.00 0.00 63.50 60.60 2h47 n PRO 101 Cb 0.61 -1.88 0.72 0.00 -0.02 0.00 0.00 33.50 32.93 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 -3.08 0.00 1.65 -1.23 0.00 -1.96 -2.29 103.07 96.15 2h47 h GLY 102 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2h47 h GLY 102 CO 0.31 0.00 0.00 1.58 0.00 0.00 0.00 176.54 178.43 2h47 n TYR 103 N -4.11 0.00 -2.58 5.60 0.18 -1.26 -1.07 117.16 113.91 2h47 n TYR 103 Ca 0.13 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.71 2h47 n TYR 103 Cb 0.77 -0.32 0.01 0.00 -0.38 0.00 0.00 39.34 39.42 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 -1.32 2.51 -0.14 -3.48 1.02 -0.86 -4.99 120.64 113.37 2h47 n GLU 104 Ca 0.05 -4.03 0.08 0.00 -0.02 0.00 0.00 57.16 53.24 2h47 n GLU 104 Cb 0.10 -1.86 0.15 0.00 -0.02 0.00 0.00 31.44 29.81 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 -0.30 0.32 1.08 -0.32 7.35 -0.23 0.21 117.46 125.56 2h47 n PHE 105 Ca 0.27 0.48 0.03 0.00 -0.76 0.00 0.00 57.45 57.47 2h47 n PHE 105 Cb 0.71 -0.84 0.09 0.00 0.35 0.00 0.00 39.48 39.79 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 -4.26 0.35 -0.27 -5.13 3.01 -1.26 -2.25 117.46 107.66 2h47 n PHE 106 Ca 0.11 -0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.42 2h47 n PHE 106 Cb 0.37 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 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 0.09 1.19 -4.85 4.37 4.77 0.13 -0.20 117.00 122.50 2h47 n LEU 107 Ca 0.07 -1.19 -0.36 0.00 -0.03 0.00 0.00 56.01 54.50 2h47 n LEU 107 Cb 0.28 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.31 2h47 n LEU 107 CO 0.06 0.30 -0.19 -2.28 -1.33 0.00 0.00 177.39 173.94 2h47 s HIS 108 N -0.45 3.51 -0.10 -1.77 2.46 -0.95 -0.58 115.29 117.40 2h47 s HIS 108 Ca 0.00 0.45 0.14 0.00 0.47 0.00 0.00 55.06 56.11 2h47 s HIS 108 Cb 0.00 -1.90 0.25 0.00 -0.13 0.00 0.00 32.58 30.81 2h47 s HIS 108 CO 0.00 0.68 1.13 0.27 -2.47 0.00 0.00 174.74 174.35 2h47 n ASN 109 N 1.87 1.60 -1.63 9.88 0.23 -1.26 -4.70 115.26 121.25 2h47 n ASN 109 Ca -0.19 -2.89 -0.13 0.00 -0.53 0.00 0.00 54.58 50.84 2h47 n ASN 109 Cb 0.54 -0.38 0.19 0.00 -2.08 0.00 0.00 39.78 38.05 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 -0.92 3.01 -4.00 0.53 8.00 -1.26 -4.84 116.55 117.08 2h47 n ASP 110 Ca 0.12 -3.72 -0.11 0.00 0.71 0.00 0.00 54.79 51.79 2h47 n ASP 110 Cb 0.70 -0.73 -0.12 0.00 -0.02 0.00 0.00 41.12 40.96 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 -3.28 0.27 -0.26 2.53 -7.23 -1.26 -5.13 120.40 106.04 2h47 s VAL 111 Ca 0.50 -0.82 -0.29 0.00 -1.81 0.00 0.00 61.98 59.56 2h47 s VAL 111 Cb 0.44 -0.36 0.01 0.00 0.56 0.00 0.00 36.38 37.03 2h47 s VAL 111 CO 0.04 -0.36 1.16 0.21 -0.31 0.00 0.00 175.10 175.84 2h47 s ASN 112 N -1.25 6.91 0.00 4.85 2.47 -1.26 -4.90 114.94 121.75 2h47 s ASN 112 Ca -0.11 1.29 0.00 0.00 0.42 0.00 0.00 52.86 54.46 2h47 s ASN 112 Cb -0.08 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 2h47 s ASN 112 CO -0.00 -0.86 0.71 0.79 -3.72 0.00 0.00 177.10 174.01 2h47 n TRP 113 N 6.89 0.00 0.45 0.43 7.02 -1.26 -1.81 117.44 129.15 2h47 n TRP 113 Ca 0.13 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.68 2h47 n TRP 113 Cb 0.46 -0.04 0.07 0.00 -2.42 0.00 0.00 31.31 29.38 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 2.60 0.00 -0.26 0.00 -0.00 -1.61 0.77 114.93 116.43 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 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.19 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 -2.14 2.32 -1.83 -3.00 0.00 -1.26 -4.92 120.51 109.67 2h47 n ALA 116 Ca 0.03 -0.95 -0.31 0.00 0.00 0.00 0.00 53.44 52.21 2h47 n ALA 116 Cb 0.53 -0.50 -0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.05 6.28 0.24 0.00 0.02 0.26 -4.95 114.94 115.74 2h47 s ASN 117 Ca 0.23 1.50 -0.08 0.00 -1.02 0.00 0.00 52.86 53.49 2h47 s ASN 117 Cb 0.13 -2.49 0.42 0.00 0.02 0.00 0.00 41.25 39.33 2h47 s ASN 117 CO 0.18 -0.83 1.64 -0.08 0.02 0.00 0.00 177.10 178.03 2h47 h GLU 118 N 0.08 0.10 -4.72 -0.60 4.81 -1.95 -3.32 114.58 108.97 2h47 h GLU 118 Ca -0.45 -0.01 -0.59 0.00 -0.13 0.00 0.00 59.36 58.18 2h47 h GLU 118 Cb 1.19 -0.02 -0.35 0.00 0.63 0.00 0.00 28.75 30.20 2h47 h GLU 118 CO 0.61 0.06 -0.83 1.21 -0.73 0.00 0.00 179.01 179.33 2h47 s ASN 119 N -5.20 2.54 0.08 1.04 3.84 -1.26 -5.05 114.94 110.93 2h47 s ASN 119 Ca -0.13 -0.45 0.26 0.00 0.21 0.00 0.00 52.86 52.75 2h47 s ASN 119 Cb 0.22 -1.13 0.73 0.00 -0.55 0.00 0.00 41.25 40.52 2h47 s ASN 119 CO 0.75 -0.01 1.61 -1.54 -2.79 0.00 0.00 177.10 175.12 2h47 n SER 120 N 4.41 0.48 -4.69 -4.21 3.41 -1.25 -3.83 113.62 107.95 2h47 n SER 120 Ca -0.18 0.23 -0.44 0.00 -0.26 0.00 0.00 58.87 58.22 2h47 n SER 120 Cb 0.51 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 2h47 n SER 120 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2h47 n THR 121 N -1.83 0.45 -2.66 6.66 5.66 -1.26 -4.61 114.28 116.70 2h47 n THR 121 Ca 0.05 -0.11 -0.41 0.00 -3.05 0.00 0.00 64.05 60.53 2h47 n THR 121 Cb 0.38 -1.66 -0.04 0.00 -1.55 0.00 0.00 70.33 67.47 2h47 n THR 121 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2h47 s PHE 122 N 0.51 3.70 -0.10 1.09 5.36 -1.26 -2.68 117.98 124.60 2h47 s PHE 122 Ca 0.73 1.69 -0.08 0.00 -0.96 0.00 0.00 56.93 58.31 2h47 s PHE 122 Cb -0.61 -3.15 -0.05 0.00 -0.34 0.00 0.00 43.02 38.87 2h47 s PHE 122 CO 0.42 -0.14 -0.18 1.58 -1.46 0.00 0.00 175.22 175.45 2h47 n HIS 123 N 3.11 0.00 -3.57 10.12 -0.00 -0.32 -2.82 115.22 121.75 2h47 n HIS 123 Ca 0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.70 2h47 n HIS 123 Cb 0.49 -0.40 -0.02 0.00 -0.00 0.00 0.00 29.99 30.06 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 -2.84 4.62 0.37 0.00 2.01 0.66 0.03 115.64 120.49 2h47 s THR 125 Ca 0.08 -0.21 0.08 0.00 0.31 0.00 0.00 61.69 61.95 2h47 s THR 125 Cb -0.01 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 2h47 s THR 125 CO -0.06 0.55 0.28 0.42 -0.69 0.00 0.00 174.62 175.11 2h47 s THR 126 N -0.98 3.09 -0.50 -0.82 -4.23 -0.51 -1.51 115.64 110.18 2h47 s THR 126 Ca 0.16 -1.45 0.04 0.00 -1.18 0.00 0.00 61.69 59.25 2h47 s THR 126 Cb -0.12 -3.07 0.16 0.00 1.34 0.00 0.00 72.50 70.81 2h47 s THR 126 CO 0.05 -0.11 0.35 -0.44 -0.54 0.00 0.00 174.62 173.93 2h47 s SER 127 N -4.00 2.99 0.01 3.99 0.01 -0.56 -3.79 113.70 112.37 2h47 s SER 127 Ca 0.42 -3.14 -0.26 0.00 1.31 0.00 0.00 55.95 54.28 2h47 s SER 127 Cb -0.04 -0.91 -0.05 0.00 0.21 0.00 0.00 66.02 65.24 2h47 s SER 127 CO 0.26 -0.18 0.80 -0.69 0.41 0.00 0.00 173.24 173.85 2h47 s VAL 128 N -0.25 4.82 -0.19 3.43 1.01 -0.36 -4.74 120.40 124.12 2h47 s VAL 128 Ca 0.26 1.70 -0.25 0.00 0.00 0.00 0.00 61.98 63.69 2h47 s VAL 128 Cb -0.07 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 2h47 s VAL 128 CO -0.13 0.29 0.81 -0.22 0.00 0.00 0.00 175.10 175.86 2h47 s LEU 129 N 0.37 4.15 -0.19 3.92 0.20 -1.26 -0.22 118.68 125.65 2h47 s LEU 129 Ca 0.41 1.11 -0.18 0.00 0.69 0.00 0.00 54.13 56.17 2h47 s LEU 129 Cb -0.20 -3.19 -0.14 0.00 -0.43 0.00 0.00 46.19 42.22 2h47 s LEU 129 CO 0.23 -0.42 0.10 0.58 -0.29 0.00 0.00 176.35 176.56 2h47 h VAL 130 N 5.25 0.65 0.00 1.68 2.07 -1.54 -3.48 116.25 120.88 2h47 h VAL 130 Ca -0.28 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.40 2h47 h VAL 130 Cb 1.12 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 2h47 h VAL 130 CO 0.84 0.22 0.00 0.61 0.02 0.00 0.00 177.57 179.26 2h47 n GLY 131 N 1.49 -0.69 3.77 2.17 0.00 -1.21 -5.02 105.19 105.70 2h47 n GLY 131 Ca -0.25 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.45 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 4.41 -0.36 0.99 1.43 -1.26 0.14 118.68 124.03 2h47 s LEU 132 Ca 0.00 2.51 -0.28 0.00 -1.03 0.00 0.00 54.13 55.33 2h47 s LEU 132 Cb 0.00 -3.72 -0.02 0.00 0.03 0.00 0.00 46.19 42.49 2h47 s LEU 132 CO 0.00 -0.46 1.78 0.00 0.23 0.00 0.00 176.35 177.90 2h47 s ALA 133 N -1.20 2.81 0.00 4.21 0.00 0.21 -4.52 121.76 123.27 2h47 s ALA 133 Ca 0.49 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2h47 s ALA 133 Cb -0.36 -4.04 0.00 0.00 0.00 0.00 0.00 23.12 18.72 2h47 s ALA 133 CO 0.47 -2.74 0.00 1.63 0.00 0.00 0.00 175.76 175.12