#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h51 n VAL 22 N 0.00 0.00 0.00 1.61 0.24 -1.26 -4.99 118.33 113.93 3h51 n VAL 22 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3h51 n VAL 22 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3h51 n VAL 22 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h51 n HIS 24 N 0.00 0.00 -3.97 6.34 -0.00 -1.26 -5.05 115.22 111.28 3h51 n HIS 24 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.38 3h51 n HIS 24 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 29.84 3h51 n HIS 24 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3h51 s TYR 25 N -2.00 2.96 -0.51 -1.40 1.51 -1.26 -5.02 117.35 111.63 3h51 s TYR 25 Ca 0.00 -1.31 0.10 0.00 -1.01 0.00 0.00 57.07 54.85 3h51 s TYR 25 Cb 0.00 -2.05 -0.09 0.00 -0.11 0.00 0.00 41.96 39.70 3h51 s TYR 25 CO 0.00 -0.67 0.44 0.25 -1.11 0.00 0.00 175.55 174.46 3h51 n THR 26 N 4.72 0.00 -3.82 -0.71 -2.24 -1.26 -4.99 114.28 105.97 3h51 n THR 26 Ca -0.18 -0.28 -0.25 0.00 -2.27 0.00 0.00 64.05 61.06 3h51 n THR 26 Cb 0.49 1.01 0.01 0.00 -2.10 0.00 0.00 70.33 69.74 3h51 n THR 26 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3h51 n ASP 27 N -1.13 2.70 -4.42 3.42 2.03 -1.26 -5.12 116.55 112.78 3h51 n ASP 27 Ca 0.02 -2.86 -0.34 0.00 0.52 0.00 0.00 54.79 52.14 3h51 n ASP 27 Cb 0.16 -0.07 -0.13 0.00 -0.72 0.00 0.00 41.12 40.35 3h51 n ASP 27 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3h51 s LYS 28 N -4.28 3.51 0.49 -0.67 3.01 -1.26 -4.34 119.74 116.19 3h51 s LYS 28 Ca 0.34 -0.60 -0.21 0.00 -1.01 0.00 0.00 55.97 54.48 3h51 s LYS 28 Cb -0.03 -2.81 -0.07 0.00 -1.01 0.00 0.00 37.83 33.91 3h51 s LYS 28 CO 0.21 0.16 1.13 0.00 0.51 0.00 0.00 175.35 177.37 3h51 s ALA 29 N 0.52 2.85 -0.62 5.17 0.00 0.41 -4.97 121.76 125.13 3h51 s ALA 29 Ca -0.06 0.85 -0.27 0.00 0.00 0.00 0.00 51.96 52.48 3h51 s ALA 29 Cb -0.15 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.62 3h51 s ALA 29 CO 0.03 -0.65 1.53 0.00 0.00 0.00 0.00 175.76 176.67 3h51 s ALA 30 N -1.68 2.59 -0.12 0.00 0.00 -1.26 -4.98 121.76 116.31 3h51 s ALA 30 Ca 0.68 -0.82 -0.38 0.00 0.00 0.00 0.00 51.96 51.43 3h51 s ALA 30 Cb -0.25 -4.21 -0.16 0.00 0.00 0.00 0.00 23.12 18.50 3h51 s ALA 30 CO 0.30 -3.33 1.60 -0.11 0.00 0.00 0.00 175.76 174.23 3h51 n LEU 31 N 10.55 2.22 -4.76 0.00 7.94 -1.26 -4.85 117.00 126.84 3h51 n LEU 31 Ca 0.13 1.08 -0.33 0.00 -1.11 0.00 0.00 56.01 55.78 3h51 n LEU 31 Cb 0.50 -1.18 0.05 0.00 0.53 0.00 0.00 43.42 43.32 3h51 n LEU 31 CO 0.71 -0.62 0.74 -2.84 -1.11 0.00 0.00 177.39 174.27 3h51 s PRO 32 N 2.40 2.69 0.24 1.96 0.02 -1.26 -4.91 135.00 136.14 3h51 s PRO 32 Ca 0.92 1.42 -0.06 0.00 0.02 0.00 0.00 61.00 63.30 3h51 s PRO 32 Cb -0.99 -1.93 0.29 0.00 0.02 0.00 0.00 34.50 31.88 3h51 s PRO 32 CO 0.57 -1.34 1.89 0.00 -0.33 0.00 0.00 177.00 177.79 3h51 h ALA 33 N -0.07 1.21 -1.67 -1.55 0.00 -1.98 -3.43 119.26 111.77 3h51 h ALA 33 Ca -0.47 -0.04 0.28 0.00 0.00 0.00 0.00 54.91 54.68 3h51 h ALA 33 Cb 1.25 -0.32 -0.12 0.00 0.00 0.00 0.00 17.79 18.60 3h51 h ALA 33 CO 0.53 0.46 0.74 0.16 0.00 0.00 0.00 179.25 181.14 3h51 s ASP 34 N -5.93 -0.10 0.00 0.00 -4.77 -1.26 -5.04 116.67 99.57 3h51 s ASP 34 Ca -0.13 -0.18 0.00 0.00 -3.30 0.00 0.00 52.55 48.94 3h51 s ASP 34 Cb 0.18 0.24 0.00 0.00 -1.09 0.00 0.00 42.92 42.25 3h51 s ASP 34 CO 0.80 -0.44 0.00 0.61 0.70 0.00 0.00 175.17 176.85 3h51 n GLY 35 N -0.44 -1.80 0.18 2.12 0.00 -1.26 -3.95 105.19 100.03 3h51 n GLY 35 Ca -0.07 -1.86 -0.05 0.00 0.00 0.00 0.00 46.02 44.04 3h51 n GLY 35 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h51 h GLU 36 N 0.00 0.35 -0.93 1.61 4.39 -2.02 -2.25 114.58 115.73 3h51 h GLU 36 Ca 0.00 -0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.78 3h51 h GLU 36 Cb 0.00 -0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 28.50 3h51 h GLU 36 CO 0.00 0.23 0.57 0.00 -1.16 0.00 0.00 179.01 178.65 3h51 h ALA 37 N 1.26 1.36 -0.72 3.43 0.00 -1.98 -0.22 119.26 122.39 3h51 h ALA 37 Ca 0.20 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3h51 h ALA 37 Cb 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3h51 h ALA 37 CO -0.18 0.22 0.23 -0.09 0.00 0.00 0.00 179.25 179.43 3h51 h ARG 38 N 0.95 1.12 -0.45 0.00 2.43 -1.59 -0.01 114.38 116.84 3h51 h ARG 38 Ca 0.45 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 3h51 h ARG 38 Cb 0.38 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3h51 h ARG 38 CO -0.24 0.95 0.18 1.49 -1.51 0.00 0.00 179.97 180.85 3h51 h GLU 39 N 1.07 0.67 -0.22 0.20 4.81 -0.74 -1.16 114.58 119.19 3h51 h GLU 39 Ca 0.23 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3h51 h GLU 39 Cb 0.30 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3h51 h GLU 39 CO -0.01 0.61 0.09 0.28 -0.73 0.00 0.00 179.01 179.25 3h51 h VAL 40 N 0.58 1.16 -0.76 0.32 2.07 -0.93 -2.94 116.25 115.76 3h51 h VAL 40 Ca 0.15 -0.50 0.09 0.00 0.82 0.00 0.00 66.70 67.26 3h51 h VAL 40 Cb 0.19 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 3h51 h VAL 40 CO -0.01 0.16 0.50 0.00 0.02 0.00 0.00 177.57 178.24 3h51 h ALA 41 N 0.93 1.76 0.00 1.67 0.00 -0.80 -2.16 119.26 120.66 3h51 h ALA 41 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3h51 h ALA 41 Cb 0.17 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h51 h ALA 41 CO -0.01 0.10 -0.10 0.00 0.00 0.00 0.00 179.25 179.24 3h51 h ALA 42 N 1.61 1.29 -0.82 0.00 0.00 -1.03 -2.53 119.26 117.78 3h51 h ALA 42 Ca 0.34 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3h51 h ALA 42 Cb 0.39 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3h51 h ALA 42 CO -0.12 0.13 0.54 -0.07 0.00 0.00 0.00 179.25 179.72 3h51 h LEU 43 N 0.00 0.90 -0.81 0.00 3.38 -1.35 -1.82 115.31 115.61 3h51 h LEU 43 Ca -0.00 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3h51 h LEU 43 Cb 0.30 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3h51 h LEU 43 CO 0.01 0.63 0.52 0.15 0.09 0.00 0.00 178.44 179.84 3h51 h PHE 44 N 1.05 0.97 -0.64 1.13 3.57 -1.61 -1.52 116.94 119.89 3h51 h PHE 44 Ca 0.31 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.86 3h51 h PHE 44 Cb -0.03 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 38.35 3h51 h PHE 44 CO -0.00 0.57 0.40 -0.44 -2.23 0.00 0.00 178.31 176.61 3h51 h ASP 45 N 1.02 0.66 -0.65 0.41 3.32 -1.46 0.14 116.42 119.85 3h51 h ASP 45 Ca 0.32 -0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.42 3h51 h ASP 45 Cb -0.00 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.35 3h51 h ASP 45 CO -0.11 0.46 0.38 0.74 -1.72 0.00 0.00 179.24 178.99 3h51 h THR 46 N 0.79 1.01 -0.28 0.35 2.02 -1.08 -1.00 112.91 114.72 3h51 h THR 46 Ca 0.26 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 3h51 h THR 46 Cb 0.01 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 3h51 h THR 46 CO -0.10 0.13 0.09 -0.25 0.37 0.00 0.00 175.52 175.76 3h51 h TRP 47 N 0.71 0.44 -0.92 3.16 7.01 -0.70 -1.40 115.95 124.25 3h51 h TRP 47 Ca 0.28 -0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.26 3h51 h TRP 47 Cb 0.13 -0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 27.01 3h51 h TRP 47 CO -0.07 0.47 0.60 -0.97 -2.79 0.00 0.00 178.44 175.68 3h51 h ASN 48 N 0.29 1.02 -0.72 2.65 -1.24 -0.55 -0.91 115.58 116.13 3h51 h ASN 48 Ca 0.09 -0.02 -0.06 0.00 0.71 0.00 0.00 56.30 57.03 3h51 h ASN 48 Cb 0.23 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.00 3h51 h ASN 48 CO -0.00 0.72 0.23 0.00 -1.29 0.00 0.00 177.43 177.08 3h51 h ALA 49 N 1.36 1.03 -0.47 1.57 0.00 -1.06 -2.47 119.26 119.23 3h51 h ALA 49 Ca 0.36 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3h51 h ALA 49 Cb -0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3h51 h ALA 49 CO -0.10 0.65 0.28 0.00 0.00 0.00 0.00 179.25 180.08 3h51 h ALA 50 N 1.17 0.60 -0.64 0.00 0.00 -0.44 -2.21 119.26 117.74 3h51 h ALA 50 Ca 0.24 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.20 3h51 h ALA 50 Cb 0.29 -0.19 -0.12 0.00 0.00 0.00 0.00 17.79 17.77 3h51 h ALA 50 CO -0.01 0.09 -0.21 -0.07 0.00 0.00 0.00 179.25 179.06 3h51 h LEU 51 N 0.62 -0.74 -2.20 0.00 3.38 -0.97 -2.21 115.31 113.20 3h51 h LEU 51 Ca 0.17 0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.40 3h51 h LEU 51 Cb 0.01 0.45 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3h51 h LEU 51 CO -0.03 -0.24 0.21 0.00 0.09 0.00 0.00 178.44 178.46 3h51 h ALA 52 N 1.49 1.87 0.00 1.53 0.00 -0.94 -1.28 119.26 121.94 3h51 h ALA 52 Ca 0.30 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3h51 h ALA 52 Cb 0.50 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3h51 h ALA 52 CO -0.68 -0.31 -0.14 1.79 0.00 0.00 0.00 179.25 179.92 3h51 h THR 53 N 0.00 0.66 0.00 0.00 1.35 -1.18 -3.46 112.91 110.28 3h51 h THR 53 Ca 0.09 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3h51 h THR 53 Cb 0.50 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 3h51 h THR 53 CO -0.00 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 3h51 n GLY 54 N -0.71 0.63 3.45 5.82 0.00 -0.48 -4.99 105.19 108.91 3h51 n GLY 54 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3h51 n GLY 54 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3h51 s ASN 55 N -2.55 6.12 0.53 1.61 3.84 -1.26 -4.94 114.94 118.29 3h51 s ASN 55 Ca 0.00 -0.95 0.20 0.00 0.21 0.00 0.00 52.86 52.31 3h51 s ASN 55 Cb 0.00 -2.17 1.38 0.00 -0.55 0.00 0.00 41.25 39.92 3h51 s ASN 55 CO 0.00 -0.48 2.16 -0.65 -2.79 0.00 0.00 177.10 175.33 3h51 h PRO 56 N 8.65 0.00 -0.77 0.43 0.11 -1.92 -1.84 132.00 136.67 3h51 h PRO 56 Ca -0.27 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.87 3h51 h PRO 56 Cb 1.12 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 3h51 h PRO 56 CO 0.75 0.02 0.49 0.45 -0.21 0.00 0.00 178.00 179.51 3h51 h HIS 57 N 0.00 0.92 0.00 0.65 3.86 -1.93 -0.55 115.15 118.09 3h51 h HIS 57 Ca -0.00 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.20 3h51 h HIS 57 Cb 0.05 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.21 3h51 h HIS 57 CO 0.00 0.53 -0.18 0.87 0.86 0.00 0.00 177.93 180.01 3h51 h LYS 58 N 0.96 0.00 0.05 2.45 1.57 -1.70 -0.87 116.57 119.02 3h51 h LYS 58 Ca 0.31 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3h51 h LYS 58 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3h51 h LYS 58 CO -0.11 0.18 -0.02 0.28 -0.57 0.00 0.00 179.45 179.21 3h51 h VAL 59 N 0.00 1.25 -0.89 0.50 2.07 -1.28 -3.35 116.25 114.56 3h51 h VAL 59 Ca -0.00 -1.64 0.20 0.00 0.82 0.00 0.00 66.70 66.07 3h51 h VAL 59 Cb 0.88 2.24 -0.06 0.00 -1.52 0.00 0.00 31.29 32.83 3h51 h VAL 59 CO 0.02 0.38 0.59 0.00 0.02 0.00 0.00 177.57 178.58 3h51 h ALA 60 N -0.11 2.20 -0.07 1.67 0.00 -0.98 -1.75 119.26 120.22 3h51 h ALA 60 Ca -0.01 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3h51 h ALA 60 Cb 0.66 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3h51 h ALA 60 CO 0.01 -0.48 0.17 -0.44 0.00 0.00 0.00 179.25 178.51 3h51 h ASP 61 N 0.40 0.00 0.54 0.00 3.32 -1.28 -0.50 116.42 118.90 3h51 h ASP 61 Ca 0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.51 3h51 h ASP 61 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3h51 h ASP 61 CO -0.17 0.00 -0.14 0.18 -1.72 0.00 0.00 179.24 177.39 3h51 n LEU 62 N -3.34 0.34 -4.85 1.55 4.77 -0.66 -4.82 117.00 109.98 3h51 n LEU 62 Ca -0.01 0.13 -0.37 0.00 -0.03 0.00 0.00 56.01 55.74 3h51 n LEU 62 Cb 0.25 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 3h51 n LEU 62 CO 0.21 0.07 -0.15 -0.31 -1.33 0.00 0.00 177.39 175.88 3h51 s TYR 63 N -2.69 3.58 0.62 -1.77 1.51 -0.20 -0.74 117.35 117.67 3h51 s TYR 63 Ca 0.23 0.54 -0.19 0.00 -1.01 0.00 0.00 57.07 56.63 3h51 s TYR 63 Cb 0.19 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 40.02 3h51 s TYR 63 CO 0.52 0.66 1.21 0.00 -1.11 0.00 0.00 175.55 176.83 3h51 n ALA 64 N 2.21 0.92 -0.26 3.71 0.00 -0.18 -4.77 120.51 122.14 3h51 n ALA 64 Ca -0.19 0.02 0.22 0.00 0.00 0.00 0.00 53.44 53.49 3h51 n ALA 64 Cb 0.54 -2.27 0.55 0.00 0.00 0.00 0.00 19.45 18.27 3h51 n ALA 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3h51 h PRO 65 N 0.62 0.33 -0.63 0.00 0.11 -1.94 0.15 132.00 130.64 3h51 h PRO 65 Ca -0.50 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.46 3h51 h PRO 65 Cb 1.34 -0.07 -0.07 0.00 0.11 0.00 0.00 31.00 32.30 3h51 h PRO 65 CO 0.53 0.22 0.15 -0.40 -0.21 0.00 0.00 178.00 178.28 3h51 n ASP 66 N -4.50 5.02 -4.72 -2.05 5.75 -1.26 -4.39 116.55 110.40 3h51 n ASP 66 Ca 0.21 -3.13 -0.34 0.00 -0.01 0.00 0.00 54.79 51.52 3h51 n ASP 66 Cb 0.80 -0.71 0.10 0.00 -1.03 0.00 0.00 41.12 40.29 3h51 n ASP 66 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3h51 s GLY 67 N -1.08 2.26 -0.10 6.12 0.00 0.54 -4.96 107.32 110.10 3h51 s GLY 67 Ca 0.54 0.84 0.01 0.00 0.00 0.00 0.00 44.72 46.10 3h51 s GLY 67 CO 0.14 1.25 -0.10 0.14 0.00 0.00 0.00 173.10 174.52 3h51 s VAL 68 N -2.08 1.13 -0.17 1.40 1.01 -0.43 -4.42 120.40 116.84 3h51 s VAL 68 Ca 0.73 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 62.28 3h51 s VAL 68 Cb -0.28 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 3h51 s VAL 68 CO 0.47 0.37 -0.05 -0.22 0.00 0.00 0.00 175.10 175.68 3h51 s LEU 69 N 1.28 3.09 -0.59 3.92 2.96 -0.08 -0.94 118.68 128.32 3h51 s LEU 69 Ca -0.03 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 3h51 s LEU 69 Cb -0.14 -1.75 0.14 0.00 0.50 0.00 0.00 46.19 44.94 3h51 s LEU 69 CO -0.04 0.12 0.35 -0.76 -1.32 0.00 0.00 176.35 174.70 3h51 s LEU 70 N 0.68 4.46 0.63 -0.68 1.02 0.40 -0.91 118.68 124.28 3h51 s LEU 70 Ca -0.03 -3.33 -0.08 0.00 0.02 0.00 0.00 54.13 50.71 3h51 s LEU 70 Cb -0.15 -1.62 0.01 0.00 0.02 0.00 0.00 46.19 44.45 3h51 s LEU 70 CO 0.02 -0.18 0.98 -2.16 0.02 0.00 0.00 176.35 175.04 3h51 s PRO 71 N -0.72 2.95 0.16 1.29 0.04 -1.26 -0.83 135.00 136.64 3h51 s PRO 71 Ca 0.20 0.23 -0.15 0.00 0.04 0.00 0.00 61.00 61.32 3h51 s PRO 71 Cb -0.18 -2.16 0.07 0.00 0.04 0.00 0.00 34.50 32.27 3h51 s PRO 71 CO -0.06 -0.81 1.79 1.15 0.04 0.00 0.00 177.00 179.10 3h51 h THR 72 N -0.36 0.99 -0.23 1.26 2.02 -1.91 -3.34 112.91 111.35 3h51 h THR 72 Ca -0.45 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.57 3h51 h THR 72 Cb 1.25 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 3h51 h THR 72 CO 0.62 0.08 0.00 1.33 0.37 0.00 0.00 175.52 177.92 3h51 n VAL 73 N -4.89 1.14 -4.65 3.16 0.24 -1.26 -4.63 118.33 107.44 3h51 n VAL 73 Ca 0.02 -1.12 -0.22 0.00 -2.04 0.00 0.00 64.34 60.98 3h51 n VAL 73 Cb 0.09 0.41 -0.15 0.00 -1.47 0.00 0.00 33.84 32.72 3h51 n VAL 73 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3h51 s SER 74 N -1.14 1.66 0.52 -1.34 0.15 -1.25 -5.01 113.70 107.28 3h51 s SER 74 Ca 0.18 -0.26 0.31 0.00 0.70 0.00 0.00 55.95 56.88 3h51 s SER 74 Cb 0.11 -0.22 1.21 0.00 -1.71 0.00 0.00 66.02 65.41 3h51 s SER 74 CO 0.10 0.17 1.93 0.78 1.20 0.00 0.00 173.24 177.42 3h51 h ASN 75 N 5.86 0.00 -3.44 5.45 4.21 -1.94 -3.40 115.58 122.31 3h51 h ASN 75 Ca -0.34 0.00 -0.58 0.00 1.21 0.00 0.00 56.30 56.58 3h51 h ASN 75 Cb 1.16 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 38.28 3h51 h ASN 75 CO 0.49 0.06 0.69 -0.70 -1.29 0.00 0.00 177.43 176.67 3h51 s GLU 76 N -3.65 3.92 0.17 0.81 2.12 -1.26 -5.00 118.70 115.81 3h51 s GLU 76 Ca 0.01 0.74 -0.30 0.00 0.36 0.00 0.00 54.97 55.78 3h51 s GLU 76 Cb 0.09 -3.78 -0.08 0.00 0.26 0.00 0.00 34.13 30.62 3h51 s GLU 76 CO 0.57 -0.94 1.29 0.08 -0.54 0.00 0.00 175.26 175.72 3h51 s VAL 77 N 3.55 3.38 -0.31 3.70 1.01 -1.26 -4.72 120.40 125.76 3h51 s VAL 77 Ca 0.41 1.10 -0.08 0.00 0.00 0.00 0.00 61.98 63.40 3h51 s VAL 77 Cb -0.12 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3h51 s VAL 77 CO 0.18 0.15 0.12 -0.13 0.00 0.00 0.00 175.10 175.42 3h51 s ARG 78 N 0.16 3.21 -0.10 2.72 1.81 -0.09 -4.95 118.95 121.72 3h51 s ARG 78 Ca 0.57 -0.79 0.13 0.00 -1.72 0.00 0.00 55.73 53.92 3h51 s ARG 78 Cb -0.35 -3.49 0.25 0.00 -0.45 0.00 0.00 34.95 30.91 3h51 s ARG 78 CO 0.36 -0.44 1.12 0.00 -0.68 0.00 0.00 175.30 175.66 3h51 n ALA 79 N 4.93 2.43 -2.12 2.13 0.00 -1.26 -0.90 120.51 125.71 3h51 n ALA 79 Ca -0.14 -2.27 -0.09 0.00 0.00 0.00 0.00 53.44 50.94 3h51 n ALA 79 Cb 0.48 -0.44 -0.10 0.00 0.00 0.00 0.00 19.45 19.39 3h51 n ALA 79 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3h51 s SER 80 N -2.35 0.50 0.29 0.00 1.04 -1.26 -4.84 113.70 107.08 3h51 s SER 80 Ca 0.25 -1.08 -0.01 0.00 0.48 0.00 0.00 55.95 55.58 3h51 s SER 80 Cb 0.23 0.22 0.48 0.00 0.10 0.00 0.00 66.02 67.05 3h51 s SER 80 CO -0.01 -0.64 1.91 -0.09 0.98 0.00 0.00 173.24 175.40 3h51 h ARG 81 N 3.01 1.06 -0.43 4.02 2.43 -1.91 -0.59 114.38 121.97 3h51 h ARG 81 Ca -0.35 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 58.64 3h51 h ARG 81 Cb 1.17 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 3h51 h ARG 81 CO 0.63 0.70 -0.20 0.93 -1.51 0.00 0.00 179.97 180.53 3h51 h GLU 82 N 1.09 0.86 -0.14 0.20 3.07 -1.97 0.82 114.58 118.51 3h51 h GLU 82 Ca 0.39 -0.34 -0.19 0.00 -0.50 0.00 0.00 59.36 58.72 3h51 h GLU 82 Cb 0.13 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3h51 h GLU 82 CO -0.14 0.98 -0.68 1.96 -1.40 0.00 0.00 179.01 179.73 3h51 h GLN 83 N 0.75 0.58 0.12 2.33 4.20 -1.80 -1.98 115.11 119.31 3h51 h GLN 83 Ca 0.11 -0.44 -0.01 0.00 0.06 0.00 0.00 58.65 58.37 3h51 h GLN 83 Cb 0.73 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.59 3h51 h GLN 83 CO 0.06 1.06 -0.06 0.82 -0.67 0.00 0.00 178.83 180.04 3h51 h ILE 84 N 0.42 0.92 -0.63 2.54 2.04 -0.79 -2.54 117.51 119.47 3h51 h ILE 84 Ca -0.02 -0.17 0.12 0.00 1.00 0.00 0.00 64.86 65.79 3h51 h ILE 84 Cb 1.26 1.03 -0.09 0.00 -0.74 0.00 0.00 36.82 38.29 3h51 h ILE 84 CO 0.13 0.04 0.12 -0.33 0.00 0.00 0.00 178.15 178.11 3h51 h GLU 85 N -0.24 0.24 -0.69 2.37 5.08 -0.85 -1.97 114.58 118.51 3h51 h GLU 85 Ca -0.02 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 3h51 h GLU 85 Cb 0.19 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 3h51 h GLU 85 CO 0.03 0.16 0.37 -0.97 -1.00 0.00 0.00 179.01 177.59 3h51 h ASN 86 N 0.24 0.51 -0.37 1.42 -0.73 -1.22 0.15 115.58 115.59 3h51 h ASN 86 Ca 0.33 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.55 3h51 h ASN 86 Cb 0.52 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 39.04 3h51 h ASN 86 CO -0.44 0.32 0.25 0.22 -0.37 0.00 0.00 177.43 177.40 3h51 h TYR 87 N 0.65 0.47 0.00 0.67 3.20 -0.94 -2.91 116.97 118.10 3h51 h TYR 87 Ca 0.33 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.14 3h51 h TYR 87 Cb 0.28 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3h51 h TYR 87 CO -0.09 0.29 -0.31 0.74 -1.64 0.00 0.00 178.16 177.16 3h51 h PHE 88 N 0.50 0.00 0.00 -3.82 0.04 -0.89 -0.66 116.94 112.12 3h51 h PHE 88 Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 3h51 h PHE 88 Cb -0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.09 3h51 h PHE 88 CO -0.05 0.31 0.00 0.39 -0.60 0.00 0.00 178.31 178.35 3h51 n GLU 89 N -3.33 0.00 0.00 1.51 1.02 0.45 -1.02 120.64 119.27 3h51 n GLU 89 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3h51 n GLU 89 Cb 0.54 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.97 3h51 n GLU 89 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3h51 n PHE 91 N -0.29 0.00 0.42 -0.32 7.35 -0.26 -4.22 117.46 120.14 3h51 n PHE 91 Ca 0.00 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.82 3h51 n PHE 91 Cb 0.00 0.00 0.39 0.00 0.35 0.00 0.00 39.48 40.22 3h51 n PHE 91 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3h51 h LEU 92 N 0.00 0.00 -1.34 -2.13 3.38 -1.34 -2.63 115.31 111.25 3h51 h LEU 92 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h51 h LEU 92 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3h51 h LEU 92 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 178.44 179.24 3h51 h THR 93 N 0.00 0.00 -0.11 0.22 1.35 -1.79 -1.93 112.91 110.65 3h51 h THR 93 Ca 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 3h51 h THR 93 Cb 0.73 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 3h51 h THR 93 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 3h51 n LYS 94 N -2.49 1.54 -3.79 4.72 5.02 -0.99 -4.92 118.16 117.26 3h51 n LYS 94 Ca 0.00 -0.81 -0.23 0.00 -2.02 0.00 0.00 58.31 55.25 3h51 n LYS 94 Cb 0.16 -1.38 0.01 0.00 -0.02 0.00 0.00 35.03 33.80 3h51 n LYS 94 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3h51 n LYS 95 N 0.03 -4.32 -2.25 1.97 4.01 -0.73 0.12 118.16 116.99 3h51 n LYS 95 Ca 0.16 0.54 -0.41 0.00 -0.51 0.00 0.00 58.31 58.10 3h51 n LYS 95 Cb 0.27 -4.94 -0.03 0.00 -0.51 0.00 0.00 35.03 29.82 3h51 n LYS 95 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 3h51 s PRO 96 N -6.18 4.46 -0.11 1.97 0.04 -1.26 -4.47 135.00 129.45 3h51 s PRO 96 Ca 0.00 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.11 3h51 s PRO 96 Cb -0.00 -3.12 0.02 0.00 0.04 0.00 0.00 34.50 31.45 3h51 s PRO 96 CO 0.84 -0.05 -0.10 0.15 0.04 0.00 0.00 177.00 177.89 3h51 s LYS 97 N -1.63 1.68 0.15 4.56 -0.14 -0.85 -4.56 119.74 118.96 3h51 s LYS 97 Ca 0.47 -0.33 0.04 0.00 -1.36 0.00 0.00 55.97 54.79 3h51 s LYS 97 Cb -0.37 -1.63 -0.04 0.00 -1.68 0.00 0.00 37.83 34.11 3h51 s LYS 97 CO 0.48 -0.20 0.21 0.20 -0.76 0.00 0.00 175.35 175.28 3h51 s GLY 98 N 1.47 1.72 -0.02 -3.33 0.00 -1.26 -1.15 107.32 104.74 3h51 s GLY 98 Ca 0.01 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.62 3h51 s GLY 98 CO -0.06 -1.12 -0.01 0.14 0.00 0.00 0.00 173.10 172.04 3h51 s VAL 99 N -1.74 0.19 -0.12 1.40 1.01 -0.08 -4.98 120.40 116.08 3h51 s VAL 99 Ca 0.33 -0.01 -0.23 0.00 0.00 0.00 0.00 61.98 62.06 3h51 s VAL 99 Cb -0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 3h51 s VAL 99 CO 0.26 0.10 0.70 -0.63 0.00 0.00 0.00 175.10 175.54 3h51 s ILE 100 N 0.48 5.01 -0.23 2.22 -1.09 -1.26 -1.13 121.20 125.20 3h51 s ILE 100 Ca -0.05 1.41 0.10 0.00 -2.23 0.00 0.00 60.65 59.88 3h51 s ILE 100 Cb -0.07 -4.03 -0.21 0.00 -1.58 0.00 0.00 42.46 36.57 3h51 s ILE 100 CO -0.01 0.18 -0.08 0.59 -1.23 0.00 0.00 174.94 174.38 3h51 n ASN 101 N 4.35 1.07 -3.74 3.58 4.13 0.40 -0.44 115.26 124.60 3h51 n ASN 101 Ca -0.00 -0.07 -0.13 0.00 1.68 0.00 0.00 54.58 56.05 3h51 n ASN 101 Cb 0.50 0.27 -0.14 0.00 -1.54 0.00 0.00 39.78 38.87 3h51 n ASN 101 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3h51 s TYR 102 N -2.50 -0.21 -0.01 3.10 5.04 -0.90 -3.77 117.35 118.09 3h51 s TYR 102 Ca -0.23 0.56 0.03 0.00 -2.44 0.00 0.00 57.07 55.00 3h51 s TYR 102 Cb 0.07 -0.04 -0.01 0.00 0.35 0.00 0.00 41.96 42.33 3h51 s TYR 102 CO 0.70 -0.18 -0.11 0.50 -1.34 0.00 0.00 175.55 175.12 3h51 s ARG 103 N 1.15 0.91 -0.03 4.97 3.52 -1.26 -1.29 118.95 126.93 3h51 s ARG 103 Ca -0.09 -0.39 0.06 0.00 -0.13 0.00 0.00 55.73 55.18 3h51 s ARG 103 Cb -0.11 -0.88 -0.01 0.00 -1.56 0.00 0.00 34.95 32.39 3h51 s ARG 103 CO -0.06 0.23 -0.21 0.95 -0.81 0.00 0.00 175.30 175.40 3h51 s THR 104 N -0.23 1.64 -0.12 4.11 -4.23 0.11 -4.98 115.64 111.95 3h51 s THR 104 Ca 0.04 -0.87 0.02 0.00 -1.18 0.00 0.00 61.69 59.70 3h51 s THR 104 Cb -0.05 -1.38 0.01 0.00 1.34 0.00 0.00 72.50 72.43 3h51 s THR 104 CO -0.00 0.47 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.66 3h51 s VAL 105 N -0.35 1.77 -0.09 2.29 1.01 -1.26 -1.33 120.40 122.45 3h51 s VAL 105 Ca 0.04 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.24 3h51 s VAL 105 Cb -0.09 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.71 3h51 s VAL 105 CO 0.00 0.50 -0.16 -0.13 0.00 0.00 0.00 175.10 175.31 3h51 s ARG 106 N 0.84 2.18 -0.22 2.72 1.81 -0.01 -4.99 118.95 121.28 3h51 s ARG 106 Ca -0.08 -0.57 -0.09 0.00 -1.72 0.00 0.00 55.73 53.27 3h51 s ARG 106 Cb -0.15 -1.76 -0.04 0.00 -0.45 0.00 0.00 34.95 32.54 3h51 s ARG 106 CO -0.01 0.04 0.12 -0.51 -0.68 0.00 0.00 175.30 174.27 3h51 s LEU 107 N 0.67 3.95 0.00 2.53 1.43 -1.26 -0.67 118.68 125.34 3h51 s LEU 107 Ca -0.14 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 3h51 s LEU 107 Cb -0.16 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.01 3h51 s LEU 107 CO 0.04 0.09 0.00 0.18 0.23 0.00 0.00 176.35 176.88 3h51 n LEU 108 N 4.14 0.40 0.00 1.79 4.77 0.15 -4.99 117.00 123.26 3h51 n LEU 108 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3h51 n LEU 108 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3h51 n LEU 108 CO 0.35 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.88 3h51 n ASP 109 N -1.12 0.00 0.02 -1.43 9.92 -1.15 -4.90 116.55 117.88 3h51 n ASP 109 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.38 3h51 n ASP 109 Cb 0.00 0.00 0.17 0.00 -0.64 0.00 0.00 41.12 40.65 3h51 n ASP 109 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3h51 n ASP 110 N 0.00 0.59 -0.14 -2.24 8.00 -1.26 -4.54 116.55 116.96 3h51 n ASP 110 Ca 0.00 -0.22 0.06 0.00 0.71 0.00 0.00 54.79 55.33 3h51 n ASP 110 Cb 0.00 0.37 0.08 0.00 -0.02 0.00 0.00 41.12 41.55 3h51 n ASP 110 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3h51 n ASP 111 N -1.69 1.68 -3.82 -2.24 9.92 -1.26 -4.96 116.55 114.19 3h51 n ASP 111 Ca 0.04 -2.57 -0.12 0.00 -0.53 0.00 0.00 54.79 51.61 3h51 n ASP 111 Cb 0.37 -0.29 -0.10 0.00 -0.64 0.00 0.00 41.12 40.46 3h51 n ASP 111 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3h51 s SER 112 N -2.02 -0.10 0.05 -2.24 1.04 -1.26 0.13 113.70 109.30 3h51 s SER 112 Ca 0.18 0.03 -0.16 0.00 0.48 0.00 0.00 55.95 56.48 3h51 s SER 112 Cb 0.16 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.61 3h51 s SER 112 CO 0.02 -0.32 0.36 0.00 0.98 0.00 0.00 173.24 174.28 3h51 s ALA 113 N -1.02 -0.85 -0.14 5.32 0.00 -0.53 -0.68 121.76 123.87 3h51 s ALA 113 Ca -0.11 0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.99 3h51 s ALA 113 Cb -0.06 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.46 3h51 s ALA 113 CO 0.02 -0.46 -0.16 0.08 0.00 0.00 0.00 175.76 175.24 3h51 s VAL 114 N -2.67 1.62 -0.26 0.00 1.01 0.16 -0.52 120.40 119.73 3h51 s VAL 114 Ca -0.04 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 3h51 s VAL 114 Cb -0.00 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 3h51 s VAL 114 CO -0.04 0.47 0.06 -0.62 0.00 0.00 0.00 175.10 174.97 3h51 s ASP 115 N 1.24 5.03 -0.01 3.32 -1.08 -0.39 -0.82 116.67 123.96 3h51 s ASP 115 Ca -0.00 -0.40 -0.01 0.00 -0.52 0.00 0.00 52.55 51.62 3h51 s ASP 115 Cb -0.14 -1.89 -0.00 0.00 -1.46 0.00 0.00 42.92 39.43 3h51 s ASP 115 CO -0.07 -0.09 0.02 0.00 0.52 0.00 0.00 175.17 175.55 3h51 s ALA 116 N 1.56 -0.05 0.00 3.66 0.00 -0.44 -0.06 121.76 126.43 3h51 s ALA 116 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.99 3h51 s ALA 116 Cb -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.95 3h51 s ALA 116 CO 0.02 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.15 3h51 n GLY 117 N 2.81 -0.77 3.05 0.00 0.00 -0.42 0.07 105.19 109.93 3h51 n GLY 117 Ca -0.14 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 3h51 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h51 s VAL 118 N -3.16 1.10 0.21 1.61 1.01 -0.41 -0.59 120.40 120.17 3h51 s VAL 118 Ca 0.00 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.49 3h51 s VAL 118 Cb 0.00 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 3h51 s VAL 118 CO 0.00 0.33 0.03 -0.72 0.00 0.00 0.00 175.10 174.74 3h51 s TYR 119 N 0.31 1.40 -0.07 5.22 -0.85 -0.32 -0.45 117.35 122.59 3h51 s TYR 119 Ca -0.07 -1.03 0.03 0.00 -0.52 0.00 0.00 57.07 55.47 3h51 s TYR 119 Cb -0.12 -0.81 0.01 0.00 0.38 0.00 0.00 41.96 41.42 3h51 s TYR 119 CO 0.02 -0.19 -0.15 0.99 -1.52 0.00 0.00 175.55 174.70 3h51 s THR 120 N -3.61 1.31 -0.13 -3.49 2.01 -0.29 -0.52 115.64 110.93 3h51 s THR 120 Ca 0.29 -0.59 -0.05 0.00 0.31 0.00 0.00 61.69 61.65 3h51 s THR 120 Cb 0.06 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 3h51 s THR 120 CO 0.08 0.39 0.05 -0.36 -0.69 0.00 0.00 174.62 174.09 3h51 s PHE 121 N 0.55 3.28 -0.24 4.92 0.08 -0.00 -0.91 117.98 125.66 3h51 s PHE 121 Ca -0.14 0.19 -0.13 0.00 0.12 0.00 0.00 56.93 56.96 3h51 s PHE 121 Cb -0.16 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.31 3h51 s PHE 121 CO 0.04 0.38 0.28 0.99 -0.10 0.00 0.00 175.22 176.81 3h51 s THR 122 N -0.38 5.26 0.11 0.64 2.01 -0.30 -0.56 115.64 122.43 3h51 s THR 122 Ca 0.09 0.41 0.07 0.00 0.31 0.00 0.00 61.69 62.57 3h51 s THR 122 Cb -0.12 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 3h51 s THR 122 CO 0.02 0.26 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.34 3h51 s LEU 123 N 1.50 3.02 -0.09 4.42 1.43 0.55 -2.01 118.68 127.50 3h51 s LEU 123 Ca 0.12 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 3h51 s LEU 123 Cb -0.15 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.28 3h51 s LEU 123 CO 0.08 0.17 -0.19 -0.89 0.23 0.00 0.00 176.35 175.75 3h51 s THR 124 N -1.27 1.65 0.78 5.49 2.01 0.12 -1.47 115.64 122.94 3h51 s THR 124 Ca 0.22 -0.77 -0.04 0.00 0.31 0.00 0.00 61.69 61.41 3h51 s THR 124 Cb -0.11 -1.45 0.15 0.00 0.01 0.00 0.00 72.50 71.10 3h51 s THR 124 CO 0.14 0.47 1.07 1.51 -0.69 0.00 0.00 174.62 177.11 3h51 s ASP 125 N 0.55 4.05 0.35 3.53 -4.77 0.17 -4.42 116.67 116.13 3h51 s ASP 125 Ca -0.16 -0.29 0.08 0.00 -3.30 0.00 0.00 52.55 48.89 3h51 s ASP 125 Cb -0.17 0.01 0.80 0.00 -1.09 0.00 0.00 42.92 42.47 3h51 s ASP 125 CO 0.06 -2.07 1.88 0.07 0.70 0.00 0.00 175.17 175.80 3h51 h LYS 126 N -0.76 0.69 -0.74 2.11 5.09 -1.91 -1.83 116.57 119.21 3h51 h LYS 126 Ca -0.37 -0.04 -0.19 0.00 0.09 0.00 0.00 60.65 60.14 3h51 h LYS 126 Cb 1.26 -0.15 -0.11 0.00 0.10 0.00 0.00 32.23 33.32 3h51 h LYS 126 CO 0.39 0.45 0.24 0.27 -2.09 0.00 0.00 179.45 178.71 3h51 n ASN 127 N -4.55 4.96 0.00 7.07 0.23 -1.26 -4.93 115.26 116.78 3h51 n ASN 127 Ca 0.17 -3.16 0.00 0.00 -0.53 0.00 0.00 54.58 51.05 3h51 n ASN 127 Cb 0.44 -0.74 0.00 0.00 -2.08 0.00 0.00 39.78 37.40 3h51 n ASN 127 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3h51 n GLY 128 N -0.03 0.81 3.72 4.83 0.00 -0.69 -5.03 105.19 108.80 3h51 n GLY 128 Ca 0.39 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.00 3h51 n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h51 s LYS 129 N -0.15 4.59 0.19 1.61 0.00 -1.26 -4.69 119.74 120.02 3h51 s LYS 129 Ca 0.00 1.36 0.05 0.00 0.00 0.00 0.00 55.97 57.38 3h51 s LYS 129 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 37.83 34.37 3h51 s LYS 129 CO 0.00 0.06 0.22 0.15 0.00 0.00 0.00 175.35 175.78 3h51 s LYS 130 N 0.62 3.15 0.07 1.78 1.02 -1.26 0.41 119.74 125.52 3h51 s LYS 130 Ca 0.48 -0.80 -0.21 0.00 0.02 0.00 0.00 55.97 55.46 3h51 s LYS 130 Cb -0.21 -2.76 0.05 0.00 -0.52 0.00 0.00 37.83 34.38 3h51 s LYS 130 CO 0.27 0.47 0.49 -1.54 -0.92 0.00 0.00 175.35 174.13 3h51 s SER 131 N -3.40 -0.39 -0.06 2.83 1.04 -0.54 -4.98 113.70 108.20 3h51 s SER 131 Ca 0.33 0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.86 3h51 s SER 131 Cb -0.10 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 3h51 s SER 131 CO 0.26 -0.75 -0.19 -1.81 0.98 0.00 0.00 173.24 171.73 3h51 s ASP 132 N -2.15 3.56 -0.13 7.02 1.11 -1.26 -0.33 116.67 124.50 3h51 s ASP 132 Ca -0.04 -0.36 0.01 0.00 0.18 0.00 0.00 52.55 52.34 3h51 s ASP 132 Cb -0.00 -0.91 0.02 0.00 1.07 0.00 0.00 42.92 43.09 3h51 s ASP 132 CO -0.04 0.28 -0.16 -0.69 1.18 0.00 0.00 175.17 175.73 3h51 s VAL 133 N -0.33 1.64 0.00 -1.27 1.01 0.28 -4.98 120.40 116.76 3h51 s VAL 133 Ca 0.02 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.15 3h51 s VAL 133 Cb -0.13 -1.49 -0.06 0.00 0.00 0.00 0.00 36.38 34.70 3h51 s VAL 133 CO 0.02 0.47 0.40 -1.58 0.00 0.00 0.00 175.10 174.41 3h51 s GLN 134 N 1.09 3.89 0.03 2.72 0.74 -1.26 -0.82 119.66 126.05 3h51 s GLN 134 Ca -0.03 0.38 -0.14 0.00 0.05 0.00 0.00 55.36 55.62 3h51 s GLN 134 Cb -0.14 -3.20 0.02 0.00 1.10 0.00 0.00 33.01 30.78 3h51 s GLN 134 CO -0.04 0.68 0.30 0.00 -0.55 0.00 0.00 175.29 175.68 3h51 s ALA 135 N -1.10 -0.68 0.37 1.58 0.00 0.33 -4.67 121.76 117.58 3h51 s ALA 135 Ca 0.24 0.06 -0.13 0.00 0.00 0.00 0.00 51.96 52.13 3h51 s ALA 135 Cb -0.16 0.26 -0.08 0.00 0.00 0.00 0.00 23.12 23.14 3h51 s ALA 135 CO 0.13 -0.37 0.77 1.03 0.00 0.00 0.00 175.76 177.32 3h51 s ARG 136 N -2.25 3.89 0.03 0.00 3.00 0.64 -1.18 118.95 123.08 3h51 s ARG 136 Ca -0.07 0.59 0.01 0.00 0.00 0.00 0.00 55.73 56.26 3h51 s ARG 136 Cb -0.02 -2.39 -0.02 0.00 0.00 0.00 0.00 34.95 32.51 3h51 s ARG 136 CO -0.02 0.04 -0.05 1.52 0.00 0.00 0.00 175.30 176.79 3h51 s TYR 137 N -2.21 0.44 -0.08 -0.53 -0.85 0.24 -1.04 117.35 113.32 3h51 s TYR 137 Ca 0.53 -0.56 0.01 0.00 -0.52 0.00 0.00 57.07 56.52 3h51 s TYR 137 Cb -0.10 -0.29 0.02 0.00 0.38 0.00 0.00 41.96 41.97 3h51 s TYR 137 CO 0.25 -0.16 -0.07 0.99 -1.52 0.00 0.00 175.55 175.04 3h51 s THR 138 N -1.65 0.85 -0.19 -3.49 2.01 -0.04 -1.31 115.64 111.82 3h51 s THR 138 Ca -0.12 -0.24 -0.05 0.00 0.31 0.00 0.00 61.69 61.59 3h51 s THR 138 Cb -0.08 -0.86 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 3h51 s THR 138 CO -0.01 0.32 -0.00 -0.36 -0.69 0.00 0.00 174.62 173.87 3h51 s PHE 139 N 1.27 3.04 -0.24 4.92 0.08 0.91 -1.15 117.98 126.81 3h51 s PHE 139 Ca -0.04 -0.44 -0.05 0.00 0.12 0.00 0.00 56.93 56.52 3h51 s PHE 139 Cb -0.14 -2.07 -0.01 0.00 -0.57 0.00 0.00 43.02 40.23 3h51 s PHE 139 CO -0.02 -0.21 0.01 0.08 -0.10 0.00 0.00 175.22 174.97 3h51 s VAL 140 N 0.92 3.72 0.02 -0.44 1.01 0.48 -1.27 120.40 124.84 3h51 s VAL 140 Ca 0.01 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3h51 s VAL 140 Cb -0.14 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 3h51 s VAL 140 CO 0.02 0.33 0.06 -0.31 0.00 0.00 0.00 175.10 175.20 3h51 s TYR 141 N 1.51 3.21 -0.05 5.22 2.02 0.32 0.11 117.35 129.70 3h51 s TYR 141 Ca 0.05 0.14 0.02 0.00 -0.37 0.00 0.00 57.07 56.91 3h51 s TYR 141 Cb -0.15 -1.69 0.01 0.00 -0.40 0.00 0.00 41.96 39.73 3h51 s TYR 141 CO -0.00 0.52 -0.09 -2.00 -1.57 0.00 0.00 175.55 172.41 3h51 s GLU 142 N -1.87 1.18 -0.29 -0.62 2.12 -0.16 -1.45 118.70 117.61 3h51 s GLU 142 Ca 0.24 -0.28 -0.18 0.00 0.36 0.00 0.00 54.97 55.11 3h51 s GLU 142 Cb -0.12 -1.06 -0.02 0.00 0.26 0.00 0.00 34.13 33.19 3h51 s GLU 142 CO 0.15 0.02 0.54 0.21 -0.54 0.00 0.00 175.26 175.64 3h51 s LYS 143 N 0.60 3.92 -0.05 4.30 2.20 0.12 -1.43 119.74 129.40 3h51 s LYS 143 Ca -0.10 0.20 0.04 0.00 -0.36 0.00 0.00 55.97 55.74 3h51 s LYS 143 Cb -0.13 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.48 3h51 s LYS 143 CO 0.02 -0.47 -0.17 1.03 -0.36 0.00 0.00 175.35 175.40 3h51 s ARG 144 N 2.39 1.90 -1.53 4.03 0.52 0.42 -4.70 118.95 121.98 3h51 s ARG 144 Ca 0.21 -0.60 -0.12 0.00 -0.52 0.00 0.00 55.73 54.70 3h51 s ARG 144 Cb -0.15 -1.60 0.08 0.00 0.52 0.00 0.00 34.95 33.80 3h51 s ARG 144 CO 0.11 0.19 0.88 -0.25 0.02 0.00 0.00 175.30 176.25 3h51 n ASP 145 N 3.31 -3.80 0.00 0.23 9.92 -1.26 -1.54 116.55 123.42 3h51 n ASP 145 Ca -0.19 -0.84 0.00 0.00 -0.53 0.00 0.00 54.79 53.23 3h51 n ASP 145 Cb 0.53 -3.65 0.00 0.00 -0.64 0.00 0.00 41.12 37.36 3h51 n ASP 145 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3h51 n GLY 146 N -1.65 0.46 3.41 0.44 0.00 -1.26 -4.98 105.19 101.60 3h51 n GLY 146 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3h51 n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h51 s LYS 147 N -0.58 3.15 0.12 1.61 3.01 -0.59 -5.06 119.74 121.40 3h51 s LYS 147 Ca 0.00 -0.68 -0.30 0.00 -1.01 0.00 0.00 55.97 53.98 3h51 s LYS 147 Cb 0.00 -2.57 -0.06 0.00 -1.01 0.00 0.00 37.83 34.18 3h51 s LYS 147 CO 0.00 0.33 1.13 -1.58 0.51 0.00 0.00 175.35 175.74 3h51 s TRP 148 N 0.04 3.54 0.07 3.18 0.52 -1.26 -0.44 118.94 124.59 3h51 s TRP 148 Ca -0.04 1.50 0.04 0.00 0.02 0.00 0.00 56.10 57.61 3h51 s TRP 148 Cb -0.14 -3.32 -0.03 0.00 -1.15 0.00 0.00 33.47 28.83 3h51 s TRP 148 CO 0.04 -0.80 -0.11 -0.51 0.02 0.00 0.00 176.95 175.59 3h51 s LEU 149 N 0.27 2.31 -0.22 2.99 1.43 -0.51 -4.96 118.68 119.98 3h51 s LEU 149 Ca 0.53 -0.65 -0.29 0.00 -1.03 0.00 0.00 54.13 52.69 3h51 s LEU 149 Cb -0.29 -0.34 -0.00 0.00 0.03 0.00 0.00 46.19 45.59 3h51 s LEU 149 CO 0.32 -0.17 1.17 -0.63 0.23 0.00 0.00 176.35 177.27 3h51 s ILE 150 N -1.65 4.43 -0.13 -0.59 1.01 0.08 -0.99 121.20 123.37 3h51 s ILE 150 Ca -0.02 1.72 0.18 0.00 0.00 0.00 0.00 60.65 62.53 3h51 s ILE 150 Cb -0.08 -4.17 -0.19 0.00 0.01 0.00 0.00 42.46 38.03 3h51 s ILE 150 CO 0.01 -0.22 0.60 0.00 0.00 0.00 0.00 174.94 175.33 3h51 n ILE 151 N 5.49 0.98 -3.76 2.92 0.13 0.12 -1.01 119.36 124.23 3h51 n ILE 151 Ca 0.13 -0.68 -0.13 0.00 -1.10 0.00 0.00 62.75 60.97 3h51 n ILE 151 Cb 0.46 -0.52 -0.14 0.00 -0.84 0.00 0.00 39.64 38.60 3h51 n ILE 151 CO 0.00 0.00 0.00 0.21 2.80 0.00 0.00 176.55 179.56 3h51 s ASN 152 N -5.45 -0.16 -0.10 9.51 2.47 -1.07 -1.31 114.94 118.83 3h51 s ASN 152 Ca -0.05 0.36 -0.01 0.00 0.42 0.00 0.00 52.86 53.57 3h51 s ASN 152 Cb 0.09 0.27 0.03 0.00 -1.45 0.00 0.00 41.25 40.20 3h51 s ASN 152 CO 0.83 -0.13 -0.02 -2.28 -3.72 0.00 0.00 177.10 171.79 3h51 s HIS 153 N 0.92 0.96 -0.14 0.43 5.65 -0.12 -0.39 115.29 122.61 3h51 s HIS 153 Ca -0.07 -0.42 0.02 0.00 0.25 0.00 0.00 55.06 54.84 3h51 s HIS 153 Cb -0.09 -0.96 0.00 0.00 -1.18 0.00 0.00 32.58 30.36 3h51 s HIS 153 CO -0.05 -0.42 -0.19 -1.58 -0.65 0.00 0.00 174.74 171.86 3h51 s HIS 154 N 1.88 2.71 -0.04 3.88 2.46 -0.30 -0.46 115.29 125.42 3h51 s HIS 154 Ca 0.04 -1.11 0.01 0.00 0.47 0.00 0.00 55.06 54.47 3h51 s HIS 154 Cb -0.13 -1.83 0.02 0.00 -0.13 0.00 0.00 32.58 30.51 3h51 s HIS 154 CO -0.06 -0.49 -0.04 0.45 -2.47 0.00 0.00 174.74 172.12 3h51 s SER 155 N 0.69 0.89 -0.10 9.88 0.15 -0.01 -0.86 113.70 124.35 3h51 s SER 155 Ca -0.09 -0.12 -0.08 0.00 0.70 0.00 0.00 55.95 56.35 3h51 s SER 155 Cb -0.16 -0.43 0.03 0.00 -1.71 0.00 0.00 66.02 63.75 3h51 s SER 155 CO 0.01 -0.05 0.26 -0.94 1.20 0.00 0.00 173.24 173.73 3h51 s SER 156 N 0.87 -0.27 0.00 5.45 1.04 -0.21 -2.56 113.70 118.02 3h51 s SER 156 Ca -0.12 0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.85 3h51 s SER 156 Cb -0.14 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.50 3h51 s SER 156 CO 0.00 -0.10 0.00 0.00 0.98 0.00 0.00 173.24 174.12 3h51 n ALA 157 N 3.15 0.00 0.00 5.32 0.00 -1.26 -0.26 120.51 127.45 3h51 n ALA 157 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3h51 n ALA 157 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3h51 n ALA 157 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3h51 n PRO 159 N 0.00 2.79 -4.12 0.00 -0.04 -1.26 -4.66 135.00 127.71 3h51 n PRO 159 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 3h51 n PRO 159 Cb 0.00 -0.93 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 3h51 n PRO 159 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3h51 s GLU 160 N -1.82 3.69 0.04 0.54 2.02 -1.26 -5.11 118.70 116.80 3h51 s GLU 160 Ca 0.00 -0.36 0.06 0.00 0.02 0.00 0.00 54.97 54.69 3h51 s GLU 160 Cb 0.00 -3.09 -0.02 0.00 0.10 0.00 0.00 34.13 31.12 3h51 s GLU 160 CO 0.00 0.40 -0.18 0.14 0.02 0.00 0.00 175.26 175.65 3h51 s VAL 161 N -0.02 1.41 0.00 2.63 -7.23 -1.26 -4.97 120.40 110.96 3h51 s VAL 161 Ca 0.05 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 3h51 s VAL 161 Cb -0.12 -1.23 0.00 0.00 0.56 0.00 0.00 36.38 35.58 3h51 s VAL 161 CO 0.01 0.15 0.00 0.47 -0.31 0.00 0.00 175.10 175.42