#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gkh s SER 24 N 0.00 -0.04 0.43 1.08 0.15 -1.20 -4.37 113.70 109.75 3gkh s SER 24 Ca 0.00 -0.01 0.03 0.00 0.70 0.00 0.00 55.95 56.67 3gkh s SER 24 Cb 0.00 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 3gkh s SER 24 CO 0.00 -0.25 0.63 0.00 1.20 0.00 0.00 173.24 174.82 3gkh n VAL 26 N -1.99 0.00 -4.07 0.00 0.24 -1.08 -4.17 118.33 107.27 3gkh n VAL 26 Ca 0.03 -0.15 -0.10 0.00 -2.04 0.00 0.00 64.34 62.08 3gkh n VAL 26 Cb 0.58 0.44 -0.08 0.00 -1.47 0.00 0.00 33.84 33.32 3gkh n VAL 26 CO 0.00 0.00 0.00 -1.66 -2.14 0.00 0.00 176.83 173.03 3gkh s TRP 27 N -2.28 0.67 -0.30 6.34 -2.14 -0.99 -1.93 118.94 118.32 3gkh s TRP 27 Ca -0.02 -0.99 -0.10 0.00 2.66 0.00 0.00 56.10 57.66 3gkh s TRP 27 Cb 0.03 -0.18 0.16 0.00 -3.10 0.00 0.00 33.47 30.39 3gkh s TRP 27 CO 0.22 -0.77 0.79 -0.47 -2.66 0.00 0.00 176.95 174.06 3gkh s TYR 28 N -4.05 -1.10 0.00 1.66 5.04 -0.77 -4.66 117.35 113.46 3gkh s TYR 28 Ca 0.27 1.61 0.00 0.00 -2.44 0.00 0.00 57.07 56.51 3gkh s TYR 28 Cb 0.04 0.55 0.00 0.00 0.35 0.00 0.00 41.96 42.90 3gkh s TYR 28 CO 0.07 -0.57 0.00 0.41 -1.34 0.00 0.00 175.55 174.12 3gkh n GLY 29 N 5.31 -1.13 3.83 8.97 0.00 -1.26 -4.24 105.19 116.67 3gkh n GLY 29 Ca -0.08 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 3gkh n GLY 29 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gkh s GLU 30 N -1.68 3.12 0.00 1.61 2.02 -1.26 -1.48 118.70 121.04 3gkh s GLU 30 Ca 0.00 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.43 3gkh s GLU 30 Cb 0.00 -2.87 0.00 0.00 0.10 0.00 0.00 34.13 31.36 3gkh s GLU 30 CO 0.00 0.60 0.00 0.00 0.02 0.00 0.00 175.26 175.88 3gkh s GLY 32 N 0.00 1.62 0.21 0.00 0.00 -1.26 -4.74 107.32 103.16 3gkh s GLY 32 Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 44.72 43.76 3gkh s GLY 32 CO 0.00 -0.24 1.31 -0.42 0.00 0.00 0.00 173.10 173.75 3gkh s ILE 33 N -3.38 3.15 -0.09 0.90 -1.09 -1.26 -1.23 121.20 118.19 3gkh s ILE 33 Ca 0.60 0.97 -0.05 0.00 -2.23 0.00 0.00 60.65 59.93 3gkh s ILE 33 Cb -0.11 -3.62 -0.02 0.00 -1.58 0.00 0.00 42.46 37.14 3gkh s ILE 33 CO 0.48 0.15 -0.10 0.00 -1.23 0.00 0.00 174.94 174.24 3gkh h ALA 34 N 5.19 0.00 -2.63 9.38 0.00 -0.81 -3.45 119.26 126.94 3gkh h ALA 34 Ca -0.45 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.13 3gkh h ALA 34 Cb 1.22 0.29 -0.14 0.00 0.00 0.00 0.00 17.79 19.15 3gkh h ALA 34 CO 0.76 0.29 0.30 1.52 0.00 0.00 0.00 179.25 182.12 3gkh s TYR 35 N -1.77 -0.49 0.00 0.00 1.13 -1.21 -5.03 117.35 109.98 3gkh s TYR 35 Ca -0.08 0.40 0.00 0.00 -1.41 0.00 0.00 57.07 55.98 3gkh s TYR 35 Cb 0.01 0.53 0.00 0.00 -1.10 0.00 0.00 41.96 41.40 3gkh s TYR 35 CO 0.12 -0.72 0.00 0.41 -2.51 0.00 0.00 175.55 172.86 3gkh n GLY 36 N -0.15 3.09 1.25 5.49 0.00 -1.26 -0.44 105.19 113.18 3gkh n GLY 36 Ca -0.15 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 45.88 3gkh n GLY 36 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gkh n ASP 37 N 3.00 3.67 -4.87 1.61 5.68 -1.26 -4.97 116.55 119.40 3gkh n ASP 37 Ca 0.00 -2.31 -0.35 0.00 -0.50 0.00 0.00 54.79 51.63 3gkh n ASP 37 Cb 0.00 -0.49 -0.05 0.00 -1.14 0.00 0.00 41.12 39.43 3gkh n ASP 37 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3gkh s LYS 38 N -1.73 3.72 0.13 0.11 1.02 0.42 -5.01 119.74 118.40 3gkh s LYS 38 Ca 0.39 0.12 0.09 0.00 0.02 0.00 0.00 55.97 56.59 3gkh s LYS 38 Cb 0.25 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.48 3gkh s LYS 38 CO 0.19 0.60 -0.23 1.03 -0.92 0.00 0.00 175.35 176.03 3gkh s ARG 39 N -1.79 1.26 0.55 1.68 0.52 -1.26 -0.11 118.95 119.81 3gkh s ARG 39 Ca 0.30 -1.28 -0.16 0.00 -0.52 0.00 0.00 55.73 54.07 3gkh s ARG 39 Cb -0.14 -1.58 -0.06 0.00 0.52 0.00 0.00 34.95 33.69 3gkh s ARG 39 CO 0.17 0.36 1.01 0.71 0.02 0.00 0.00 175.30 177.57 3gkh s TYR 40 N -1.29 3.38 0.41 -0.53 1.51 -0.37 -4.77 117.35 115.69 3gkh s TYR 40 Ca 0.11 1.45 -0.08 0.00 -1.01 0.00 0.00 57.07 57.55 3gkh s TYR 40 Cb -0.09 -2.82 -0.05 0.00 -0.11 0.00 0.00 41.96 38.88 3gkh s TYR 40 CO 0.06 -0.56 0.73 -0.80 -1.11 0.00 0.00 175.55 173.87 3gkh s ASN 41 N -3.17 6.42 0.01 2.29 0.01 -1.26 -0.44 114.94 118.80 3gkh s ASN 41 Ca 0.59 0.98 -0.27 0.00 -0.71 0.00 0.00 52.86 53.45 3gkh s ASN 41 Cb -0.11 -2.26 -0.04 0.00 0.41 0.00 0.00 41.25 39.25 3gkh s ASN 41 CO 0.35 -0.42 0.87 0.00 -1.51 0.00 0.00 177.10 176.39 3gkh s GLU 43 N 0.64 4.20 -0.27 0.00 2.12 0.48 -1.84 118.70 124.03 3gkh s GLU 43 Ca 0.45 2.44 -0.14 0.00 0.36 0.00 0.00 54.97 58.08 3gkh s GLU 43 Cb -0.20 -3.03 0.09 0.00 0.26 0.00 0.00 34.13 31.24 3gkh s GLU 43 CO 0.25 -0.45 0.65 -0.47 -0.54 0.00 0.00 175.26 174.69 3gkh s TYR 44 N -0.69 -1.06 -0.18 5.30 5.04 -0.81 -4.74 117.35 120.21 3gkh s TYR 44 Ca 0.55 2.07 0.15 0.00 -2.44 0.00 0.00 57.07 57.40 3gkh s TYR 44 Cb -0.44 0.62 0.31 0.00 0.35 0.00 0.00 41.96 42.79 3gkh s TYR 44 CO 0.54 -0.53 1.20 -1.13 -1.34 0.00 0.00 175.55 174.29 3gkh n SER 45 N 4.53 2.72 -1.93 4.32 3.41 -1.26 -2.33 113.62 123.09 3gkh n SER 45 Ca -0.19 -2.82 0.00 0.00 -0.26 0.00 0.00 58.87 55.61 3gkh n SER 45 Cb 0.57 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 3gkh n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gkh n GLY 46 N -0.91 0.65 3.81 5.00 0.00 -1.26 -4.46 105.19 108.02 3gkh n GLY 46 Ca 0.14 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 3gkh n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gkh s PRO 47 N -2.02 2.51 0.80 1.61 0.04 -1.26 -0.99 135.00 135.68 3gkh s PRO 47 Ca 0.00 0.79 -0.10 0.00 0.04 0.00 0.00 61.00 61.72 3gkh s PRO 47 Cb 0.00 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.66 3gkh s PRO 47 CO 0.00 -1.36 1.10 -1.25 0.04 0.00 0.00 177.00 175.53 3gkh s PRO 48 N -5.11 2.04 -0.02 0.56 0.04 -1.26 -4.76 135.00 126.49 3gkh s PRO 48 Ca 0.59 1.23 0.07 0.00 0.04 0.00 0.00 61.00 62.94 3gkh s PRO 48 Cb -0.14 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 3gkh s PRO 48 CO 0.55 -1.82 -0.23 0.15 0.04 0.00 0.00 177.00 175.69 3gkh s LYS 49 N -4.86 1.87 0.25 4.56 1.02 -0.33 -4.72 119.74 117.53 3gkh s LYS 49 Ca 0.62 -0.83 -0.31 0.00 0.02 0.00 0.00 55.97 55.47 3gkh s LYS 49 Cb -0.18 -1.81 -0.11 0.00 -0.52 0.00 0.00 37.83 35.20 3gkh s LYS 49 CO 0.56 0.50 1.64 -2.14 -0.92 0.00 0.00 175.35 174.99 3gkh s PRO 50 N -0.55 4.13 0.23 -1.68 0.02 -1.26 -1.17 135.00 134.71 3gkh s PRO 50 Ca 0.09 2.57 -0.30 0.00 0.02 0.00 0.00 61.00 63.38 3gkh s PRO 50 Cb -0.09 -3.06 -0.09 0.00 0.02 0.00 0.00 34.50 31.29 3gkh s PRO 50 CO -0.01 -0.68 1.18 -1.17 -0.33 0.00 0.00 177.00 175.99 3gkh s LEU 51 N 0.35 4.48 0.72 -5.54 2.96 -0.04 -4.91 118.68 116.70 3gkh s LEU 51 Ca 0.69 2.29 -0.16 0.00 -0.22 0.00 0.00 54.13 56.73 3gkh s LEU 51 Cb -0.48 -3.62 0.03 0.00 0.50 0.00 0.00 46.19 42.62 3gkh s LEU 51 CO 0.40 -0.31 1.24 -2.84 -1.32 0.00 0.00 176.35 173.51 3gkh s PRO 52 N -0.79 2.16 0.50 0.98 0.02 -1.26 -4.90 135.00 131.71 3gkh s PRO 52 Ca 0.50 1.86 0.20 0.00 0.02 0.00 0.00 61.00 63.58 3gkh s PRO 52 Cb -0.33 -1.82 1.28 0.00 0.02 0.00 0.00 34.50 33.64 3gkh s PRO 52 CO 0.40 -1.85 2.09 0.87 -0.33 0.00 0.00 177.00 178.17 3gkh h LYS 53 N -0.15 0.00 0.00 5.54 1.79 -2.00 -1.53 116.57 120.22 3gkh h LYS 53 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 3gkh h LYS 53 Cb 1.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 3gkh h LYS 53 CO 0.50 0.10 0.00 -0.40 -1.08 0.00 0.00 179.45 178.57 3gkh n ASP 54 N -4.17 0.29 -0.49 0.86 5.68 -1.26 -1.48 116.55 115.97 3gkh n ASP 54 Ca -0.03 0.59 0.12 0.00 -0.50 0.00 0.00 54.79 54.97 3gkh n ASP 54 Cb 0.18 -0.64 0.10 0.00 -1.14 0.00 0.00 41.12 39.62 3gkh n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gkh n GLY 55 N -0.48 -0.01 0.37 6.12 0.00 -0.57 -4.59 105.19 106.03 3gkh n GLY 55 Ca 0.02 -0.59 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 3gkh n GLY 55 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3gkh h TYR 56 N 2.40 1.17 -0.80 1.61 -1.99 -1.35 -1.37 116.97 116.64 3gkh h TYR 56 Ca 0.00 0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.77 3gkh h TYR 56 Cb 0.72 -0.39 -0.04 0.00 2.00 0.00 0.00 36.73 39.02 3gkh h TYR 56 CO 0.00 0.76 0.52 -0.44 -0.00 0.00 0.00 178.16 178.99 3gkh h ASP 57 N 1.24 0.88 -0.29 3.88 5.19 -1.81 -0.60 116.42 124.91 3gkh h ASP 57 Ca 0.33 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.65 3gkh h ASP 57 Cb -0.10 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.20 3gkh h ASP 57 CO -0.07 0.62 -0.12 -0.07 -3.12 0.00 0.00 179.24 176.48 3gkh h LEU 58 N 1.03 0.61 -0.96 1.55 3.38 -1.66 -1.91 115.31 117.36 3gkh h LEU 58 Ca 0.31 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 3gkh h LEU 58 Cb -0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3gkh h LEU 58 CO -0.09 0.87 -0.19 1.62 0.09 0.00 0.00 178.44 180.74 3gkh h VAL 59 N 0.34 1.25 -0.72 1.22 3.04 -1.04 -0.84 116.25 119.51 3gkh h VAL 59 Ca 0.07 -1.18 -0.04 0.00 -1.01 0.00 0.00 66.70 64.54 3gkh h VAL 59 Cb 0.63 1.24 -0.03 0.00 -2.01 0.00 0.00 31.29 31.12 3gkh h VAL 59 CO 0.04 0.38 0.31 1.56 -1.01 0.00 0.00 177.57 178.85 3gkh h GLN 60 N 0.48 1.06 -0.26 4.17 4.20 -1.03 0.30 115.11 124.03 3gkh h GLN 60 Ca 0.08 -0.18 -0.15 0.00 0.06 0.00 0.00 58.65 58.45 3gkh h GLN 60 Cb 0.61 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 3gkh h GLN 60 CO 0.04 0.86 -0.44 1.49 -0.67 0.00 0.00 178.83 180.11 3gkh h GLU 61 N 1.02 0.75 0.02 1.46 4.81 -0.86 -3.33 114.58 118.45 3gkh h GLU 61 Ca 0.24 -0.47 -0.39 0.00 -0.13 0.00 0.00 59.36 58.61 3gkh h GLU 61 Cb 0.18 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 3gkh h GLU 61 CO -0.02 1.09 -2.38 1.28 -0.73 0.00 0.00 179.01 178.24 3gkh n LEU 62 N -4.14 2.77 -3.11 1.64 4.77 -0.36 -4.78 117.00 113.78 3gkh n LEU 62 Ca -0.05 -0.01 -0.17 0.00 -0.03 0.00 0.00 56.01 55.76 3gkh n LEU 62 Cb 0.56 -0.93 -0.02 0.00 -2.33 0.00 0.00 43.42 40.70 3gkh n LEU 62 CO 0.48 0.86 -0.20 0.00 -1.33 0.00 0.00 177.39 177.20 3gkh h PRO 64 N 3.00 0.00 -0.12 0.00 0.13 -1.55 -0.94 132.00 132.52 3gkh h PRO 64 Ca 0.07 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.23 3gkh h PRO 64 Cb 1.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 3gkh h PRO 64 CO 0.49 0.00 0.14 0.78 -0.23 0.00 0.00 178.00 179.18 3gkh h GLY 65 N 0.00 0.00 -0.30 1.56 0.00 -1.92 -0.98 103.07 101.43 3gkh h GLY 65 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3gkh h GLY 65 CO -0.00 0.00 -0.26 0.69 0.00 0.00 0.00 176.54 176.97 3gkh n PHE 66 N -3.75 0.00 -2.45 5.60 0.99 -0.36 -4.77 117.46 112.72 3gkh n PHE 66 Ca -0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.02 3gkh n PHE 66 Cb 0.25 -0.07 0.00 0.00 -1.00 0.00 0.00 39.48 38.66 3gkh n PHE 66 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3gkh n PHE 67 N -0.25 3.86 -3.51 1.38 -0.00 -0.37 -4.64 117.46 113.93 3gkh n PHE 67 Ca 0.13 -3.00 -0.11 0.00 -0.00 0.00 0.00 57.45 54.47 3gkh n PHE 67 Cb 0.39 -2.21 -0.03 0.00 -0.00 0.00 0.00 39.48 37.64 3gkh n PHE 67 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.76 176.17 3gkh s PHE 68 N 1.67 -0.40 0.00 -5.13 -0.12 -1.26 -5.05 117.98 107.69 3gkh s PHE 68 Ca 0.44 0.15 0.00 0.00 -0.05 0.00 0.00 56.93 57.47 3gkh s PHE 68 Cb 0.06 0.44 0.00 0.00 -0.63 0.00 0.00 43.02 42.89 3gkh s PHE 68 CO -0.00 -0.80 0.00 0.41 -0.05 0.00 0.00 175.22 174.78 3gkh n GLY 69 N -0.32 3.08 0.00 1.99 0.00 -1.26 -1.78 105.19 106.90 3gkh n GLY 69 Ca -0.16 -0.31 0.15 0.00 0.00 0.00 0.00 46.02 45.69 3gkh n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gkh n GLN 70 N 13.94 0.92 -3.82 1.61 6.02 -1.26 -4.91 117.38 129.88 3gkh n GLN 70 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.75 3gkh n GLN 70 Cb 0.00 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 29.77 3gkh n GLN 70 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3gkh n VAL 71 N -1.01 -3.62 -2.64 5.09 0.31 -0.74 -3.68 118.33 112.04 3gkh n VAL 71 Ca 0.22 -0.42 -0.43 0.00 -0.01 0.00 0.00 64.34 63.70 3gkh n VAL 71 Cb 0.11 -3.25 -0.02 0.00 -0.91 0.00 0.00 33.84 29.77 3gkh n VAL 71 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3gkh s SER 72 N -4.20 6.91 0.18 4.52 0.01 -1.26 -0.86 113.70 119.00 3gkh s SER 72 Ca 0.11 1.00 0.02 0.00 1.31 0.00 0.00 55.95 58.39 3gkh s SER 72 Cb -0.06 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.59 3gkh s SER 72 CO 0.84 -0.90 0.00 -0.76 0.41 0.00 0.00 173.24 172.83 3gkh s LEU 73 N 3.69 2.12 -0.24 2.44 1.43 -0.32 -4.52 118.68 123.29 3gkh s LEU 73 Ca 0.45 -1.18 0.08 0.00 -1.03 0.00 0.00 54.13 52.46 3gkh s LEU 73 Cb -0.12 -0.09 0.60 0.00 0.03 0.00 0.00 46.19 46.61 3gkh s LEU 73 CO 0.16 -0.56 1.54 0.00 0.23 0.00 0.00 176.35 177.73 3gkh s ASP 76 N -2.12 4.79 0.20 0.00 3.84 -1.26 -4.90 116.67 117.21 3gkh s ASP 76 Ca -0.00 -1.13 -0.11 0.00 -0.00 0.00 0.00 52.55 51.30 3gkh s ASP 76 Cb -0.05 0.52 0.13 0.00 -1.38 0.00 0.00 42.92 42.14 3gkh s ASP 76 CO -0.00 -1.30 1.83 0.58 -0.00 0.00 0.00 175.17 176.28 3gkh h VAL 77 N 0.42 1.20 -0.57 2.11 2.07 -1.97 -2.47 116.25 117.05 3gkh h VAL 77 Ca -0.32 -0.47 0.10 0.00 0.82 0.00 0.00 66.70 66.83 3gkh h VAL 77 Cb 1.30 0.25 -0.08 0.00 -1.52 0.00 0.00 31.29 31.24 3gkh h VAL 77 CO 0.49 0.22 0.14 -0.09 0.02 0.00 0.00 177.57 178.34 3gkh h ARG 78 N 0.96 0.27 -0.41 1.57 9.65 -1.99 -0.85 114.38 123.58 3gkh h ARG 78 Ca 0.25 -0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 59.04 3gkh h ARG 78 Cb -0.02 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 3gkh h ARG 78 CO -0.05 0.18 -0.05 1.96 2.80 0.00 0.00 179.97 184.81 3gkh h GLN 79 N 0.28 0.68 -0.39 0.20 4.20 -1.84 -0.90 115.11 117.35 3gkh h GLN 79 Ca 0.29 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 3gkh h GLN 79 Cb 0.41 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3gkh h GLN 79 CO -0.36 0.74 0.03 -0.07 -0.67 0.00 0.00 178.83 178.49 3gkh h LEU 80 N 0.64 0.65 -0.63 1.46 3.38 -0.97 -0.06 115.31 119.78 3gkh h LEU 80 Ca 0.12 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.84 3gkh h LEU 80 Cb 0.47 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 3gkh h LEU 80 CO 0.02 0.78 0.37 -0.61 0.09 0.00 0.00 178.44 179.09 3gkh h GLN 81 N 0.50 0.69 -0.50 1.13 5.75 -0.90 -1.33 115.11 120.43 3gkh h GLN 81 Ca 0.11 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.52 3gkh h GLN 81 Cb 0.43 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 3gkh h GLN 81 CO 0.01 0.45 0.12 1.15 -2.65 0.00 0.00 178.83 177.92 3gkh h THR 82 N 0.71 1.24 -0.42 2.39 2.02 -1.01 -1.92 112.91 115.91 3gkh h THR 82 Ca 0.26 -0.85 0.04 0.00 0.77 0.00 0.00 66.41 66.64 3gkh h THR 82 Cb 0.09 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 3gkh h THR 82 CO -0.13 0.31 0.18 0.25 0.37 0.00 0.00 175.52 176.50 3gkh h LEU 83 N 0.70 0.24 -0.13 2.58 5.85 -0.62 0.12 115.31 124.04 3gkh h LEU 83 Ca 0.16 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.95 3gkh h LEU 83 Cb 0.33 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 3gkh h LEU 83 CO 0.00 0.17 -0.14 0.50 -0.34 0.00 0.00 178.44 178.63 3gkh h LYS 84 N 0.37 -0.17 -0.65 1.25 3.64 -1.06 -1.81 116.57 118.13 3gkh h LYS 84 Ca 0.19 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.65 3gkh h LYS 84 Cb 0.14 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 3gkh h LYS 84 CO -0.16 -0.11 0.34 -0.44 -2.27 0.00 0.00 179.45 176.81 3gkh h ASP 85 N -0.17 0.48 0.96 4.20 3.32 -0.92 -2.94 116.42 121.34 3gkh h ASP 85 Ca 0.09 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3gkh h ASP 85 Cb 0.31 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3gkh h ASP 85 CO -0.24 0.30 0.00 0.78 -1.72 0.00 0.00 179.24 178.36 3gkh h ASN 86 N 0.62 0.00 -0.02 6.45 2.35 -0.23 -2.92 115.58 121.83 3gkh h ASN 86 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 3gkh h ASN 86 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3gkh h ASN 86 CO -0.21 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.75 3gkh n LEU 87 N -2.40 1.31 -0.31 1.61 4.32 -0.73 -4.30 117.00 116.49 3gkh n LEU 87 Ca 0.03 -0.44 0.01 0.00 -0.02 0.00 0.00 56.01 55.58 3gkh n LEU 87 Cb 0.29 -0.00 0.14 0.00 -1.62 0.00 0.00 43.42 42.23 3gkh n LEU 87 CO 0.23 0.22 1.19 1.56 -1.22 0.00 0.00 177.39 179.38 3gkh h GLN 88 N 2.03 0.94 0.02 3.23 4.20 -1.61 -1.72 115.11 122.20 3gkh h GLN 88 Ca 0.00 -0.06 -0.19 0.00 0.06 0.00 0.00 58.65 58.46 3gkh h GLN 88 Cb 0.43 -0.21 0.02 0.00 0.30 0.00 0.00 27.48 28.02 3gkh h GLN 88 CO 0.00 0.62 -0.75 -0.07 -0.67 0.00 0.00 178.83 177.96 3gkh h LEU 89 N 0.97 0.62 -1.43 1.46 3.38 -1.85 -0.89 115.31 117.58 3gkh h LEU 89 Ca 0.38 -0.78 0.09 0.00 0.09 0.00 0.00 57.88 57.66 3gkh h LEU 89 Cb 0.18 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3gkh h LEU 89 CO -0.18 1.33 0.48 -0.65 0.09 0.00 0.00 178.44 179.51 3gkh h PRO 90 N -0.01 0.64 -0.68 1.13 0.11 -1.82 -1.34 132.00 130.03 3gkh h PRO 90 Ca -0.10 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.91 3gkh h PRO 90 Cb 1.46 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.40 3gkh h PRO 90 CO 0.15 0.42 0.20 1.25 -0.21 0.00 0.00 178.00 179.81 3gkh h LEU 91 N 0.66 1.01 -1.06 2.35 5.85 -1.16 0.36 115.31 123.32 3gkh h LEU 91 Ca 0.33 -0.22 0.26 0.00 0.84 0.00 0.00 57.88 59.10 3gkh h LEU 91 Cb 0.42 -0.26 -0.12 0.00 0.37 0.00 0.00 40.66 41.06 3gkh h LEU 91 CO -0.12 0.96 0.61 -0.61 -0.34 0.00 0.00 178.44 178.94 3gkh h GLN 92 N 1.00 0.50 0.00 1.25 5.75 0.02 -1.91 115.11 121.72 3gkh h GLN 92 Ca 0.22 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.59 3gkh h GLN 92 Cb 0.32 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 3gkh h GLN 92 CO -0.00 0.33 -1.81 1.19 -2.65 0.00 0.00 178.83 175.89 3gkh n PHE 93 N -4.87 0.00 0.38 3.99 3.01 -1.01 -4.69 117.46 114.26 3gkh n PHE 93 Ca 0.28 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.78 3gkh n PHE 93 Cb 0.81 -0.49 0.01 0.00 -0.01 0.00 0.00 39.48 39.81 3gkh n PHE 93 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3gkh n LEU 94 N -2.22 1.37 0.27 4.37 4.77 0.09 -4.70 117.00 120.94 3gkh n LEU 94 Ca -0.11 -0.86 0.10 0.00 -0.03 0.00 0.00 56.01 55.11 3gkh n LEU 94 Cb 0.62 0.00 0.71 0.00 -2.33 0.00 0.00 43.42 42.42 3gkh n LEU 94 CO 0.31 0.27 1.08 0.77 -1.33 0.00 0.00 177.39 178.50 3gkh h SER 95 N 1.29 0.00 1.18 -1.43 4.64 -1.52 -1.73 113.55 115.97 3gkh h SER 95 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gkh h SER 95 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3gkh h SER 95 CO 0.00 0.01 0.00 0.03 -0.87 0.00 0.00 176.83 176.00 3gkh h ARG 96 N 0.00 0.00 -3.47 4.77 3.08 -1.84 -3.36 114.38 113.56 3gkh h ARG 96 Ca -0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.37 3gkh h ARG 96 Cb 0.02 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 29.70 3gkh h ARG 96 CO 0.00 0.00 -0.42 0.00 -1.07 0.00 0.00 179.97 178.48 3gkh h PRO 98 N 6.71 0.68 -0.59 0.00 0.11 -1.78 -1.84 132.00 135.28 3gkh h PRO 98 Ca -0.01 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 3gkh h PRO 98 Cb 0.91 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.84 3gkh h PRO 98 CO 0.72 0.45 0.24 0.77 -0.21 0.00 0.00 178.00 179.97 3gkh h SER 99 N 0.70 0.81 -0.07 -2.05 0.02 -1.87 0.72 113.55 111.81 3gkh h SER 99 Ca 0.26 -0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3gkh h SER 99 Cb 0.16 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3gkh h SER 99 CO -0.08 0.75 0.00 0.00 -1.14 0.00 0.00 176.83 176.36 3gkh h PHE 101 N 0.03 0.47 -0.20 0.00 3.57 -1.19 -3.15 116.94 116.46 3gkh h PHE 101 Ca 0.03 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.47 3gkh h PHE 101 Cb 0.03 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3gkh h PHE 101 CO -0.11 0.59 0.09 -0.92 -2.23 0.00 0.00 178.31 175.73 3gkh h TYR 102 N 0.40 0.17 -0.42 0.41 3.20 -0.62 0.24 116.97 120.36 3gkh h TYR 102 Ca 0.07 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 3gkh h TYR 102 Cb 0.54 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 3gkh h TYR 102 CO 0.02 0.10 -0.01 -0.91 -1.64 0.00 0.00 178.16 175.72 3gkh h ASN 103 N 0.20 0.64 -0.40 -2.11 2.35 -1.51 -1.43 115.58 113.33 3gkh h ASN 103 Ca 0.08 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 3gkh h ASN 103 Cb 0.03 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 3gkh h ASN 103 CO -0.07 0.71 0.06 0.25 -1.65 0.00 0.00 177.43 176.74 3gkh h LEU 104 N 0.63 0.63 -0.69 1.61 5.85 -1.43 -1.10 115.31 120.82 3gkh h LEU 104 Ca 0.13 -0.26 0.08 0.00 0.84 0.00 0.00 57.88 58.66 3gkh h LEU 104 Cb 0.41 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 3gkh h LEU 104 CO 0.02 0.73 0.36 -0.07 -0.34 0.00 0.00 178.44 179.14 3gkh h LEU 105 N 0.51 0.49 -0.82 2.25 3.38 -0.70 -2.31 115.31 118.11 3gkh h LEU 105 Ca 0.12 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 3gkh h LEU 105 Cb 0.37 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3gkh h LEU 105 CO 0.01 0.30 0.10 0.78 0.09 0.00 0.00 178.44 179.72 3gkh h ASN 106 N 0.63 0.94 -0.30 -0.43 2.35 -0.79 0.30 115.58 118.28 3gkh h ASN 106 Ca 0.32 -0.21 0.06 0.00 -0.55 0.00 0.00 56.30 55.92 3gkh h ASN 106 Cb 0.28 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.35 3gkh h ASN 106 CO -0.23 0.94 -0.05 0.25 -1.65 0.00 0.00 177.43 176.69 3gkh h LEU 107 N 0.93 -0.23 -0.51 1.61 5.85 -0.79 -0.45 115.31 121.72 3gkh h LEU 107 Ca 0.19 0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.84 3gkh h LEU 107 Cb 0.40 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3gkh h LEU 107 CO 0.01 -0.08 -0.50 -0.26 -0.34 0.00 0.00 178.44 177.27 3gkh h PHE 108 N 0.03 0.80 -0.62 1.25 0.04 -0.86 -2.87 116.94 114.70 3gkh h PHE 108 Ca 0.15 -0.27 0.00 0.00 2.80 0.00 0.00 57.97 60.65 3gkh h PHE 108 Cb 0.22 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.18 3gkh h PHE 108 CO -0.27 1.01 0.39 0.00 -0.60 0.00 0.00 178.31 178.84 3gkh h GLU 110 N 0.84 0.64 -0.36 0.00 4.39 -1.12 -0.34 114.58 118.62 3gkh h GLU 110 Ca 0.22 -0.19 0.02 0.00 0.34 0.00 0.00 59.36 59.75 3gkh h GLU 110 Cb -0.06 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 3gkh h GLU 110 CO -0.04 0.73 0.21 1.25 -1.16 0.00 0.00 179.01 179.99 3gkh h LEU 111 N 0.46 0.33 -0.01 1.33 5.85 -1.39 -2.38 115.31 119.50 3gkh h LEU 111 Ca 0.11 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.66 3gkh h LEU 111 Cb 0.42 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.40 3gkh h LEU 111 CO 0.01 0.24 -0.64 0.74 -0.34 0.00 0.00 178.44 178.45 3gkh h THR 112 N 0.42 1.40 0.00 1.05 2.02 -0.88 -3.42 112.91 113.51 3gkh h THR 112 Ca 0.14 -2.07 0.00 0.00 0.77 0.00 0.00 66.41 65.25 3gkh h THR 112 Cb 0.01 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 3gkh h THR 112 CO -0.07 0.61 -0.07 0.00 0.37 0.00 0.00 175.52 176.36 3gkh n SER 114 N -0.74 3.67 0.00 0.00 2.88 -0.90 -1.02 113.62 117.52 3gkh n SER 114 Ca 0.00 1.12 0.06 0.00 -1.33 0.00 0.00 58.87 58.72 3gkh n SER 114 Cb 0.00 -1.55 0.28 0.00 -0.75 0.00 0.00 64.21 62.19 3gkh n SER 114 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3gkh n PRO 115 N 2.68 0.08 -1.31 -1.46 -0.04 -1.26 -2.27 135.00 131.41 3gkh n PRO 115 Ca 0.11 0.24 -0.14 0.00 -0.04 0.00 0.00 63.50 63.67 3gkh n PRO 115 Cb 0.35 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.43 3gkh n PRO 115 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3gkh n ARG 116 N -1.41 2.59 -0.31 0.54 1.85 -1.26 -3.25 116.66 115.40 3gkh n ARG 116 Ca 0.04 -3.61 0.18 0.00 -1.00 0.00 0.00 57.85 53.46 3gkh n ARG 116 Cb 0.12 -2.02 0.37 0.00 -1.05 0.00 0.00 32.46 29.88 3gkh n ARG 116 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 3gkh h GLN 117 N 1.58 0.21 0.00 2.89 4.20 -1.43 -1.24 115.11 121.32 3gkh h GLN 117 Ca 0.29 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.99 3gkh h GLN 117 Cb 1.41 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.14 3gkh h GLN 117 CO 0.62 0.14 0.00 0.66 -0.67 0.00 0.00 178.83 179.58 3gkh h SER 118 N 0.22 0.00 1.01 1.46 4.64 -1.60 0.21 113.55 119.49 3gkh h SER 118 Ca 0.63 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.86 3gkh h SER 118 Cb 1.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.44 3gkh h SER 118 CO -0.67 0.00 -0.45 1.56 -0.87 0.00 0.00 176.83 176.40 3gkh h GLN 119 N 0.00 0.00 0.00 4.77 4.20 -1.50 -3.37 115.11 119.21 3gkh h GLN 119 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3gkh h GLN 119 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 3gkh h GLN 119 CO 0.00 0.45 0.00 1.97 -0.67 0.00 0.00 178.83 180.58 3gkh n PHE 120 N -3.45 0.00 -4.69 2.96 1.16 -0.46 -0.82 117.46 112.16 3gkh n PHE 120 Ca 0.00 -0.05 -0.28 0.00 -1.87 0.00 0.00 57.45 55.26 3gkh n PHE 120 Cb 0.59 -0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.32 3gkh n PHE 120 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3gkh s LEU 121 N -0.10 2.19 -0.11 5.98 1.43 0.62 -0.67 118.68 128.02 3gkh s LEU 121 Ca 0.00 -0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 52.48 3gkh s LEU 121 Cb 0.00 -1.11 0.04 0.00 0.03 0.00 0.00 46.19 45.15 3gkh s LEU 121 CO 0.00 0.19 0.05 -1.58 0.23 0.00 0.00 176.35 175.24 3gkh s GLN 122 N -1.36 0.22 0.18 1.70 0.74 -0.63 -4.61 119.66 115.90 3gkh s GLN 122 Ca 0.10 0.06 -0.30 0.00 0.05 0.00 0.00 55.36 55.26 3gkh s GLN 122 Cb -0.09 -1.26 -0.09 0.00 1.10 0.00 0.00 33.01 32.67 3gkh s GLN 122 CO 0.03 -0.48 1.36 0.08 -0.55 0.00 0.00 175.29 175.73 3gkh s VAL 123 N 2.07 3.13 -0.02 1.34 1.01 -1.26 -0.70 120.40 125.98 3gkh s VAL 123 Ca 0.03 0.89 0.01 0.00 0.00 0.00 0.00 61.98 62.92 3gkh s VAL 123 Cb -0.14 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 3gkh s VAL 123 CO -0.06 0.12 0.03 0.35 0.00 0.00 0.00 175.10 175.54 3gkh n THR 124 N 2.98 0.00 -3.72 3.92 -2.24 -0.47 -4.91 114.28 109.84 3gkh n THR 124 Ca 0.08 -0.17 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 3gkh n THR 124 Cb 0.42 0.65 -0.10 0.00 -2.10 0.00 0.00 70.33 69.20 3gkh n THR 124 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gkh s ALA 125 N -1.75 -1.10 0.11 6.98 0.00 -0.96 -4.94 121.76 120.10 3gkh s ALA 125 Ca -0.00 1.29 -0.00 0.00 0.00 0.00 0.00 51.96 53.25 3gkh s ALA 125 Cb 0.01 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 3gkh s ALA 125 CO 0.04 -0.22 0.01 0.95 0.00 0.00 0.00 175.76 176.54 3gkh s THR 126 N 0.34 0.33 0.05 0.00 -4.23 -1.26 0.23 115.64 111.11 3gkh s THR 126 Ca -0.01 -1.90 -0.14 0.00 -1.18 0.00 0.00 61.69 58.46 3gkh s THR 126 Cb -0.04 -1.87 0.02 0.00 1.34 0.00 0.00 72.50 71.95 3gkh s THR 126 CO -0.01 -0.66 0.32 -1.83 -0.54 0.00 0.00 174.62 171.90 3gkh s GLU 127 N -3.96 0.84 0.45 3.99 -1.05 -0.90 -4.85 118.70 113.23 3gkh s GLU 127 Ca 0.18 -0.52 -0.23 0.00 -0.15 0.00 0.00 54.97 54.25 3gkh s GLU 127 Cb 0.07 0.36 -0.08 0.00 -0.44 0.00 0.00 34.13 34.05 3gkh s GLU 127 CO -0.02 -0.28 1.12 -0.51 0.95 0.00 0.00 175.26 176.53 3gkh s ASP 128 N -2.13 6.32 -0.13 0.83 1.01 -1.26 -0.05 116.67 121.25 3gkh s ASP 128 Ca -0.04 2.20 0.02 0.00 0.71 0.00 0.00 52.55 55.43 3gkh s ASP 128 Cb -0.00 -2.59 -0.00 0.00 1.01 0.00 0.00 42.92 41.33 3gkh s ASP 128 CO -0.04 -0.80 -0.20 -0.47 0.21 0.00 0.00 175.17 173.87 3gkh s TYR 129 N -1.62 2.68 -0.22 4.23 5.04 0.36 -4.68 117.35 123.15 3gkh s TYR 129 Ca 0.63 -1.06 -0.05 0.00 -2.44 0.00 0.00 57.07 54.14 3gkh s TYR 129 Cb -0.26 -1.80 -0.02 0.00 0.35 0.00 0.00 41.96 40.23 3gkh s TYR 129 CO 0.31 -0.45 -0.00 0.14 -1.34 0.00 0.00 175.55 174.21 3gkh s VAL 130 N 0.58 3.81 -0.07 3.14 -7.23 -1.26 0.14 120.40 119.50 3gkh s VAL 130 Ca -0.11 -0.35 -0.30 0.00 -1.81 0.00 0.00 61.98 59.41 3gkh s VAL 130 Cb -0.16 -2.74 -0.06 0.00 0.56 0.00 0.00 36.38 33.98 3gkh s VAL 130 CO 0.03 0.41 1.73 -0.62 -0.31 0.00 0.00 175.10 176.35 3gkh s ASP 131 N 1.28 6.52 0.50 4.85 2.15 -0.26 -4.90 116.67 126.81 3gkh s ASP 131 Ca 0.04 2.20 0.14 0.00 0.43 0.00 0.00 52.55 55.36 3gkh s ASP 131 Cb -0.15 -2.53 1.18 0.00 -0.30 0.00 0.00 42.92 41.12 3gkh s ASP 131 CO 0.01 -1.05 2.13 1.55 -0.17 0.00 0.00 175.17 177.63 3gkh h PRO 132 N 10.20 0.12 0.02 4.34 0.13 -1.96 0.29 132.00 145.14 3gkh h PRO 132 Ca -0.40 -0.01 -0.29 0.00 -0.87 0.00 0.00 66.00 64.43 3gkh h PRO 132 Cb 1.19 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 3gkh h PRO 132 CO 0.96 0.08 -1.60 1.55 -0.23 0.00 0.00 178.00 178.76 3gkh n VAL 133 N -4.52 1.58 0.73 1.56 3.14 -1.26 -4.44 118.33 115.12 3gkh n VAL 133 Ca -0.02 -0.20 0.12 0.00 -2.96 0.00 0.00 64.34 61.28 3gkh n VAL 133 Cb 0.09 -1.95 0.15 0.00 -1.06 0.00 0.00 33.84 31.07 3gkh n VAL 133 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3gkh n THR 134 N -4.21 0.17 -1.19 1.55 -2.24 -1.24 -4.95 114.28 102.17 3gkh n THR 134 Ca -0.36 -0.16 -0.10 0.00 -2.27 0.00 0.00 64.05 61.17 3gkh n THR 134 Cb 0.78 0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 69.10 3gkh n THR 134 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3gkh n ASN 135 N -1.84 -4.11 -4.76 3.42 5.03 0.10 -4.96 115.26 108.14 3gkh n ASN 135 Ca 0.04 0.24 -0.40 0.00 0.87 0.00 0.00 54.58 55.33 3gkh n ASN 135 Cb 0.40 -3.32 -0.03 0.00 -1.02 0.00 0.00 39.78 35.81 3gkh n ASN 135 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3gkh s GLN 136 N -2.65 4.49 -0.18 3.52 -1.52 -1.26 -4.67 119.66 117.40 3gkh s GLN 136 Ca 0.00 1.95 -0.17 0.00 -1.95 0.00 0.00 55.36 55.19 3gkh s GLN 136 Cb 0.00 -3.10 -0.04 0.00 -0.22 0.00 0.00 33.01 29.65 3gkh s GLN 136 CO 0.00 0.02 0.45 0.99 -0.25 0.00 0.00 175.29 176.50 3gkh s THR 137 N -1.18 5.18 0.02 -0.19 2.01 -1.26 -1.10 115.64 119.12 3gkh s THR 137 Ca 0.47 0.83 0.00 0.00 0.31 0.00 0.00 61.69 63.30 3gkh s THR 137 Cb -0.35 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.39 3gkh s THR 137 CO 0.45 0.26 0.00 0.29 -0.69 0.00 0.00 174.62 174.93 3gkh n LYS 138 N 4.29 1.81 -3.90 4.92 5.02 0.37 -4.93 118.16 125.73 3gkh n LYS 138 Ca -0.07 -0.14 -0.23 0.00 -2.02 0.00 0.00 58.31 55.85 3gkh n LYS 138 Cb 0.51 0.03 -0.17 0.00 -0.02 0.00 0.00 35.03 35.38 3gkh n LYS 138 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3gkh s THR 139 N -0.78 0.52 0.13 -0.18 2.01 -1.26 0.14 115.64 116.21 3gkh s THR 139 Ca 0.00 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 3gkh s THR 139 Cb -0.00 -0.62 -0.06 0.00 0.01 0.00 0.00 72.50 71.83 3gkh s THR 139 CO 0.00 0.27 1.04 0.20 -0.69 0.00 0.00 174.62 175.44 3gkh s ASN 140 N 1.64 7.37 -0.51 3.53 0.01 0.92 -0.39 114.94 127.52 3gkh s ASN 140 Ca 0.00 1.92 -0.26 0.00 -0.71 0.00 0.00 52.86 53.82 3gkh s ASN 140 Cb -0.13 -2.59 0.03 0.00 0.41 0.00 0.00 41.25 38.97 3gkh s ASN 140 CO -0.04 -0.17 1.01 -0.69 -1.51 0.00 0.00 177.10 175.70 3gkh s VAL 141 N 0.03 4.33 0.03 1.60 1.01 -0.02 -2.11 120.40 125.26 3gkh s VAL 141 Ca 0.49 0.74 0.02 0.00 0.00 0.00 0.00 61.98 63.23 3gkh s VAL 141 Cb -0.26 -4.54 -0.25 0.00 0.00 0.00 0.00 36.38 31.33 3gkh s VAL 141 CO 0.32 -1.02 0.94 0.50 0.00 0.00 0.00 175.10 175.84 3gkh h LYS 142 N 9.24 0.15 -2.27 2.72 3.64 -0.54 -3.39 116.57 126.11 3gkh h LYS 142 Ca -0.24 -0.25 -0.07 0.00 -1.27 0.00 0.00 60.65 58.81 3gkh h LYS 142 Cb 1.07 0.09 -0.20 0.00 -0.41 0.00 0.00 32.23 32.79 3gkh h LYS 142 CO 1.09 0.99 0.06 -2.00 -2.27 0.00 0.00 179.45 177.31 3gkh s GLU 143 N -2.64 0.93 0.18 1.90 2.12 -1.00 -4.11 118.70 116.07 3gkh s GLU 143 Ca -0.06 0.21 -0.09 0.00 0.36 0.00 0.00 54.97 55.40 3gkh s GLU 143 Cb 0.08 0.44 -0.01 0.00 0.26 0.00 0.00 34.13 34.89 3gkh s GLU 143 CO 0.84 -0.27 0.29 -0.48 -0.54 0.00 0.00 175.26 175.10 3gkh s LEU 144 N -1.07 0.92 -0.11 2.70 2.34 -1.20 -1.36 118.68 120.90 3gkh s LEU 144 Ca -0.10 -0.93 -0.02 0.00 0.06 0.00 0.00 54.13 53.14 3gkh s LEU 144 Cb -0.02 1.17 -0.03 0.00 -0.56 0.00 0.00 46.19 46.76 3gkh s LEU 144 CO 0.08 -0.91 -0.03 -1.58 -1.06 0.00 0.00 176.35 172.84 3gkh s GLN 145 N -3.99 3.18 -0.21 1.48 0.74 0.12 -0.92 119.66 120.07 3gkh s GLN 145 Ca 0.20 -0.48 0.02 0.00 0.05 0.00 0.00 55.36 55.14 3gkh s GLN 145 Cb 0.03 -2.79 0.03 0.00 1.10 0.00 0.00 33.01 31.39 3gkh s GLN 145 CO 0.02 0.52 -0.16 -0.47 -0.55 0.00 0.00 175.29 174.66 3gkh s TYR 146 N -0.40 2.98 -0.52 1.67 6.14 -0.43 -1.61 117.35 125.18 3gkh s TYR 146 Ca 0.07 -1.89 -0.26 0.00 0.64 0.00 0.00 57.07 55.63 3gkh s TYR 146 Cb -0.12 -1.93 0.03 0.00 0.42 0.00 0.00 41.96 40.36 3gkh s TYR 146 CO 0.02 -0.83 1.03 0.71 0.64 0.00 0.00 175.55 177.12 3gkh s TYR 147 N 1.22 2.78 -0.10 4.97 2.02 0.16 -1.03 117.35 127.37 3gkh s TYR 147 Ca -0.01 0.30 0.00 0.00 -0.37 0.00 0.00 57.07 57.00 3gkh s TYR 147 Cb -0.16 -4.21 -0.02 0.00 -0.40 0.00 0.00 41.96 37.17 3gkh s TYR 147 CO -0.09 -1.33 -0.11 0.08 -1.57 0.00 0.00 175.55 172.53 3gkh s VAL 148 N 4.22 3.30 0.29 0.71 1.01 0.28 -1.12 120.40 129.09 3gkh s VAL 148 Ca 0.38 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 3gkh s VAL 148 Cb -0.10 -2.37 -0.13 0.00 0.00 0.00 0.00 36.38 33.79 3gkh s VAL 148 CO 0.25 0.55 1.43 0.61 0.00 0.00 0.00 175.10 177.93 3gkh n GLY 149 N 3.02 0.89 0.31 4.51 0.00 1.00 -1.85 105.19 113.07 3gkh n GLY 149 Ca -0.18 0.43 -0.07 0.00 0.00 0.00 0.00 46.02 46.20 3gkh n GLY 149 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3gkh h GLN 150 N 3.84 1.06 -0.49 1.61 4.15 -1.82 -0.99 115.11 122.48 3gkh h GLN 150 Ca -0.46 -0.22 -0.12 0.00 0.77 0.00 0.00 58.65 58.62 3gkh h GLN 150 Cb 1.26 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 3gkh h GLN 150 CO 0.72 0.91 -0.18 0.77 -1.93 0.00 0.00 178.83 179.13 3gkh h SER 151 N 1.01 1.01 -0.06 -0.69 0.02 -1.90 -1.37 113.55 111.56 3gkh h SER 151 Ca 0.23 -0.38 0.03 0.00 -0.84 0.00 0.00 61.79 60.82 3gkh h SER 151 Cb 0.27 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 3gkh h SER 151 CO -0.01 1.16 -0.12 0.15 -1.14 0.00 0.00 176.83 176.87 3gkh h PHE 152 N 0.85 -0.30 -0.65 3.45 3.04 -1.83 -0.95 116.94 120.55 3gkh h PHE 152 Ca 0.12 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.06 3gkh h PHE 152 Cb 0.75 0.14 -0.03 0.00 2.56 0.00 0.00 35.95 39.37 3gkh h PHE 152 CO 0.05 -0.18 0.31 0.00 -2.02 0.00 0.00 178.31 176.47 3gkh h ALA 153 N 0.85 0.83 -0.77 2.41 0.00 -0.95 -0.23 119.26 121.40 3gkh h ALA 153 Ca 0.06 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3gkh h ALA 153 Cb 0.26 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3gkh h ALA 153 CO -0.16 0.40 0.27 -0.91 0.00 0.00 0.00 179.25 178.85 3gkh h ASN 154 N 0.89 1.09 -0.26 0.00 -0.26 -1.18 -1.82 115.58 114.05 3gkh h ASN 154 Ca 0.22 -0.19 -0.18 0.00 -0.56 0.00 0.00 56.30 55.59 3gkh h ASN 154 Cb 0.12 -0.29 -0.00 0.00 -1.06 0.00 0.00 38.32 37.09 3gkh h ASN 154 CO -0.03 0.99 -0.51 0.00 -1.06 0.00 0.00 177.43 176.83 3gkh h ALA 155 N 1.15 0.54 -0.52 -0.83 0.00 -0.75 0.33 119.26 119.19 3gkh h ALA 155 Ca 0.25 -0.50 0.04 0.00 0.00 0.00 0.00 54.91 54.70 3gkh h ALA 155 Cb 0.27 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3gkh h ALA 155 CO -0.01 0.68 0.27 1.98 0.00 0.00 0.00 179.25 182.17 3gkh h MET 156 N 0.65 0.52 -0.17 0.00 1.85 -0.92 -0.87 114.93 115.99 3gkh h MET 156 Ca 0.03 -0.03 -0.03 0.00 -0.61 0.00 0.00 59.70 59.06 3gkh h MET 156 Cb 1.10 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 33.01 3gkh h MET 156 CO 0.11 0.34 0.01 -0.92 -0.40 0.00 0.00 176.91 176.05 3gkh h TYR 157 N 0.53 0.32 -0.79 1.39 3.20 -1.18 -2.95 116.97 117.48 3gkh h TYR 157 Ca 0.22 -0.05 0.12 0.00 3.14 0.00 0.00 58.73 62.16 3gkh h TYR 157 Cb 0.11 -0.08 -0.08 0.00 1.54 0.00 0.00 36.73 38.22 3gkh h TYR 157 CO -0.09 0.50 0.40 -0.97 -1.64 0.00 0.00 178.16 176.35 3gkh h ASN 158 N 0.05 0.51 0.82 -2.11 -0.73 -0.71 0.17 115.58 113.57 3gkh h ASN 158 Ca 0.05 0.08 -0.02 0.00 1.87 0.00 0.00 56.30 58.27 3gkh h ASN 158 Cb 0.36 -0.01 -0.00 0.00 0.27 0.00 0.00 38.32 38.94 3gkh h ASN 158 CO 0.01 0.25 -0.10 0.00 -0.37 0.00 0.00 177.43 177.22 3gkh h ALA 159 N 1.50 1.05 0.00 1.57 0.00 -1.10 -3.28 119.26 119.00 3gkh h ALA 159 Ca 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3gkh h ALA 159 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3gkh h ALA 159 CO -0.32 0.13 -0.89 0.00 0.00 0.00 0.00 179.25 178.17 3gkh h ARG 161 N 0.00 0.00 -0.03 0.00 0.11 -0.81 -2.33 114.38 111.33 3gkh h ARG 161 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3gkh h ARG 161 Cb 0.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.46 3gkh h ARG 161 CO 0.00 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.82 3gkh n ASP 162 N -2.98 2.67 -4.71 0.08 8.00 -1.26 -4.91 116.55 113.45 3gkh n ASP 162 Ca -0.00 -1.84 -0.42 0.00 0.71 0.00 0.00 54.79 53.24 3gkh n ASP 162 Cb 0.23 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.30 3gkh n ASP 162 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gkh s VAL 163 N -1.67 2.64 0.17 2.53 1.01 -0.88 -4.29 120.40 119.92 3gkh s VAL 163 Ca 0.23 0.34 -0.19 0.00 0.00 0.00 0.00 61.98 62.36 3gkh s VAL 163 Cb 0.17 -3.22 -0.08 0.00 0.00 0.00 0.00 36.38 33.25 3gkh s VAL 163 CO 0.25 0.01 0.67 -1.61 0.00 0.00 0.00 175.10 174.42 3gkh s GLU 164 N 1.82 4.24 0.25 2.72 2.02 -1.26 0.01 118.70 128.50 3gkh s GLU 164 Ca 0.73 0.81 -0.31 0.00 0.02 0.00 0.00 54.97 56.23 3gkh s GLU 164 Cb -0.44 -3.02 -0.12 0.00 0.10 0.00 0.00 34.13 30.66 3gkh s GLU 164 CO 0.32 0.49 1.62 0.00 0.02 0.00 0.00 175.26 177.71 3gkh n ALA 165 N 1.06 2.45 -1.56 5.21 0.00 -0.13 -4.52 120.51 123.02 3gkh n ALA 165 Ca -0.05 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.36 3gkh n ALA 165 Cb 0.51 -2.46 0.01 0.00 0.00 0.00 0.00 19.45 17.50 3gkh n ALA 165 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3gkh n PRO 166 N 2.82 1.11 -4.14 0.00 -0.02 -1.26 -1.75 135.00 131.76 3gkh n PRO 166 Ca 0.12 0.40 -0.29 0.00 -2.02 0.00 0.00 63.50 61.71 3gkh n PRO 166 Cb 0.35 -1.86 -0.08 0.00 -0.02 0.00 0.00 33.50 31.88 3gkh n PRO 166 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3gkh n SER 167 N 0.78 0.54 -3.41 2.55 3.41 -1.26 -4.96 113.62 111.28 3gkh n SER 167 Ca 0.10 -1.16 -0.13 0.00 -0.26 0.00 0.00 58.87 57.42 3gkh n SER 167 Cb 0.38 -1.44 -0.04 0.00 -0.26 0.00 0.00 64.21 62.85 3gkh n SER 167 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3gkh s SER 168 N -4.22 0.60 -0.20 4.04 0.01 -0.72 -5.06 113.70 108.16 3gkh s SER 168 Ca 0.03 -1.34 0.12 0.00 1.31 0.00 0.00 55.95 56.08 3gkh s SER 168 Cb -0.02 0.65 0.40 0.00 0.21 0.00 0.00 66.02 67.27 3gkh s SER 168 CO 0.90 -1.28 1.22 0.59 0.41 0.00 0.00 173.24 175.08 3gkh n ASN 169 N -1.15 1.86 -4.66 2.44 3.02 -1.26 -4.72 115.26 110.78 3gkh n ASN 169 Ca -0.00 -3.76 -0.23 0.00 -0.03 0.00 0.00 54.58 50.56 3gkh n ASN 169 Cb 0.62 -0.52 -0.07 0.00 -0.61 0.00 0.00 39.78 39.20 3gkh n ASN 169 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3gkh s ASP 170 N -3.15 4.63 0.07 6.41 -1.08 -1.26 -5.03 116.67 117.26 3gkh s ASP 170 Ca 0.37 -0.61 -0.22 0.00 -0.52 0.00 0.00 52.55 51.57 3gkh s ASP 170 Cb 0.36 -0.89 -0.06 0.00 -1.46 0.00 0.00 42.92 40.86 3gkh s ASP 170 CO -0.05 0.00 0.67 -0.54 0.52 0.00 0.00 175.17 175.78 3gkh s LYS 171 N -3.66 4.39 0.38 4.34 -0.14 -1.26 -0.95 119.74 122.84 3gkh s LYS 171 Ca 0.31 0.92 0.09 0.00 -1.36 0.00 0.00 55.97 55.93 3gkh s LYS 171 Cb -0.07 -3.30 0.84 0.00 -1.68 0.00 0.00 37.83 33.63 3gkh s LYS 171 CO 0.20 0.48 1.95 0.00 -0.76 0.00 0.00 175.35 177.22 3gkh h ALA 172 N 5.00 1.82 0.00 5.17 0.00 -0.65 -2.15 119.26 128.45 3gkh h ALA 172 Ca -0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3gkh h ALA 172 Cb 1.21 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3gkh h ALA 172 CO 0.67 0.04 -0.01 -0.07 0.00 0.00 0.00 179.25 179.88 3gkh h LEU 173 N 0.64 0.00 0.00 0.00 3.38 -1.84 -1.19 115.31 116.30 3gkh h LEU 173 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3gkh h LEU 173 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3gkh h LEU 173 CO -0.11 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.04 3gkh n GLY 174 N -1.33 -0.63 0.00 0.83 0.00 -0.81 -1.87 105.19 101.39 3gkh n GLY 174 Ca -0.03 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.02 3gkh n GLY 174 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gkh n LEU 175 N -1.44 0.47 -0.17 0.99 4.77 -0.45 -4.54 117.00 116.63 3gkh n LEU 175 Ca 0.02 -0.46 0.02 0.00 -0.03 0.00 0.00 56.01 55.55 3gkh n LEU 175 Cb 0.06 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.18 3gkh n LEU 175 CO 0.05 0.12 0.44 0.18 -1.33 0.00 0.00 177.39 176.85 3gkh n LEU 176 N -1.30 1.87 -0.17 2.23 4.77 -0.88 -4.72 117.00 118.81 3gkh n LEU 176 Ca 0.02 -1.60 0.03 0.00 -0.03 0.00 0.00 56.01 54.43 3gkh n LEU 176 Cb 0.18 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 3gkh n LEU 176 CO 0.22 0.45 0.23 0.00 -1.33 0.00 0.00 177.39 176.96 3gkh n GLY 178 N 0.61 0.89 3.58 0.00 0.00 -1.26 -4.84 105.19 104.17 3gkh n GLY 178 Ca 0.03 -0.27 -0.05 0.00 0.00 0.00 0.00 46.02 45.73 3gkh n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gkh s LYS 179 N -3.85 0.64 0.77 1.61 -2.85 -1.26 -5.16 119.74 109.63 3gkh s LYS 179 Ca 0.00 -0.27 -0.14 0.00 -1.00 0.00 0.00 55.97 54.56 3gkh s LYS 179 Cb 0.00 0.27 0.06 0.00 -2.06 0.00 0.00 37.83 36.10 3gkh s LYS 179 CO 0.00 -0.28 1.19 -0.51 0.10 0.00 0.00 175.35 175.85 3gkh s ASP 180 N -2.49 3.98 0.49 0.03 1.01 -1.26 -4.44 116.67 113.98 3gkh s ASP 180 Ca 0.09 2.29 0.15 0.00 0.71 0.00 0.00 52.55 55.78 3gkh s ASP 180 Cb -0.00 -2.58 1.15 0.00 1.01 0.00 0.00 42.92 42.50 3gkh s ASP 180 CO -0.05 -2.40 2.09 0.00 0.21 0.00 0.00 175.17 175.01 3gkh h ALA 181 N -0.64 1.88 0.00 5.23 0.00 -1.86 -1.00 119.26 122.87 3gkh h ALA 181 Ca -0.46 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3gkh h ALA 181 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3gkh h ALA 181 CO 0.48 0.09 0.00 -0.40 0.00 0.00 0.00 179.25 179.43 3gkh n ASP 182 N -4.46 0.27 -0.00 0.00 5.68 -1.26 -2.14 116.55 114.63 3gkh n ASP 182 Ca -0.02 0.57 0.07 0.00 -0.50 0.00 0.00 54.79 54.90 3gkh n ASP 182 Cb 0.14 -0.62 -0.10 0.00 -1.14 0.00 0.00 41.12 39.40 3gkh n ASP 182 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gkh n ALA 183 N -1.61 3.20 -2.54 2.12 0.00 -0.42 -4.99 120.51 116.27 3gkh n ALA 183 Ca 0.03 -0.38 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 3gkh n ALA 183 Cb 0.19 -0.52 -0.03 0.00 0.00 0.00 0.00 19.45 19.10 3gkh n ALA 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gkh s GLN 185 N 1.07 1.39 0.20 0.00 -0.21 -1.26 -5.01 119.66 115.84 3gkh s GLN 185 Ca 0.56 -1.73 -0.12 0.00 0.02 0.00 0.00 55.36 54.08 3gkh s GLN 185 Cb -0.26 -0.51 0.23 0.00 1.00 0.00 0.00 33.01 33.48 3gkh s GLN 185 CO 0.28 -0.18 1.69 0.00 -2.12 0.00 0.00 175.29 174.96 3gkh h ALA 186 N 2.40 0.56 0.07 6.09 0.00 -1.96 -1.01 119.26 125.41 3gkh h ALA 186 Ca -0.39 0.14 -0.25 0.00 0.00 0.00 0.00 54.91 54.42 3gkh h ALA 186 Cb 1.23 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 3gkh h ALA 186 CO 0.64 -0.36 -1.18 1.79 0.00 0.00 0.00 179.25 180.14 3gkh h THR 187 N 0.16 1.54 0.00 0.00 1.35 -1.97 -2.97 112.91 111.02 3gkh h THR 187 Ca 0.28 -3.18 -0.09 0.00 -0.55 0.00 0.00 66.41 62.86 3gkh h THR 187 Cb 0.42 2.87 -0.01 0.00 -1.73 0.00 0.00 68.15 69.69 3gkh h THR 187 CO -0.42 0.91 -0.45 -0.55 -0.25 0.00 0.00 175.52 174.76 3gkh h ASN 188 N 0.04 0.00 0.01 5.36 7.08 -1.90 -0.76 115.58 125.41 3gkh h ASN 188 Ca -0.10 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.12 3gkh h ASN 188 Cb 1.89 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.13 3gkh h ASN 188 CO 0.16 0.45 -0.01 -0.25 -2.08 0.00 0.00 177.43 175.71 3gkh h TRP 189 N 0.00 -0.01 -0.21 4.14 7.01 -1.16 -1.45 115.95 124.27 3gkh h TRP 189 Ca -0.00 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.96 3gkh h TRP 189 Cb 1.15 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.21 3gkh h TRP 189 CO 0.00 0.14 -0.00 0.82 -2.79 0.00 0.00 178.44 176.61 3gkh h ILE 190 N -0.17 1.26 -0.58 2.65 2.04 -1.45 -1.59 117.51 119.67 3gkh h ILE 190 Ca -0.00 -0.88 0.10 0.00 1.00 0.00 0.00 64.86 65.08 3gkh h ILE 190 Cb 0.16 1.43 -0.08 0.00 -0.74 0.00 0.00 36.82 37.60 3gkh h ILE 190 CO 0.00 0.27 0.16 -0.08 0.00 0.00 0.00 178.15 178.50 3gkh h GLU 191 N 0.12 0.30 -0.26 2.37 4.22 -1.15 -1.86 114.58 118.33 3gkh h GLU 191 Ca 0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.47 3gkh h GLU 191 Cb 0.40 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3gkh h GLU 191 CO 0.01 0.20 0.14 -0.92 -2.18 0.00 0.00 179.01 176.26 3gkh h TYR 192 N 0.31 0.36 -0.05 0.92 3.20 -1.00 -2.87 116.97 117.84 3gkh h TYR 192 Ca 0.30 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.14 3gkh h TYR 192 Cb 0.40 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 3gkh h TYR 192 CO -0.21 0.30 -0.05 0.52 -1.64 0.00 0.00 178.16 177.08 3gkh h MET 193 N 0.31 0.07 -0.15 1.82 2.86 -1.00 -2.00 114.93 116.83 3gkh h MET 193 Ca 0.09 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3gkh h MET 193 Cb 0.06 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.71 3gkh h MET 193 CO -0.01 0.12 0.00 1.19 1.06 0.00 0.00 176.91 179.27 3gkh n PHE 194 N -4.44 0.18 -3.61 -0.22 3.72 -0.72 -4.61 117.46 107.77 3gkh n PHE 194 Ca -0.02 -0.09 -0.39 0.00 -0.05 0.00 0.00 57.45 56.90 3gkh n PHE 194 Cb 0.16 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.58 3gkh n PHE 194 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3gkh s ASN 195 N -1.61 5.79 0.59 4.37 3.84 -0.75 -0.83 114.94 126.33 3gkh s ASN 195 Ca 0.33 -0.37 0.39 0.00 0.21 0.00 0.00 52.86 53.42 3gkh s ASN 195 Cb 0.18 -2.07 2.06 0.00 -0.55 0.00 0.00 41.25 40.87 3gkh s ASN 195 CO 0.27 -0.17 2.19 0.07 -2.79 0.00 0.00 177.10 176.67 3gkh h LYS 196 N 8.40 0.00 0.00 0.43 5.09 -1.76 0.26 116.57 128.98 3gkh h LYS 196 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.41 3gkh h LYS 196 Cb 1.16 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.49 3gkh h LYS 196 CO 0.61 0.00 0.04 -0.44 -2.09 0.00 0.00 179.45 177.57 3gkh h ASP 197 N 0.00 0.00 0.58 7.07 3.32 -1.92 -1.35 116.42 124.12 3gkh h ASP 197 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gkh h ASP 197 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3gkh h ASP 197 CO 0.00 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.06 3gkh n ASN 198 N -2.55 0.00 0.00 6.45 0.23 0.08 -4.90 115.26 114.57 3gkh n ASN 198 Ca -0.02 0.26 0.00 0.00 -0.53 0.00 0.00 54.58 54.29 3gkh n ASN 198 Cb 0.09 -0.40 0.00 0.00 -2.08 0.00 0.00 39.78 37.39 3gkh n ASN 198 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gkh n GLY 199 N 0.63 1.36 0.83 4.83 0.00 -0.51 -4.79 105.19 107.54 3gkh n GLY 199 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 3gkh n GLY 199 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3gkh n GLN 200 N -2.00 0.12 -1.88 1.61 -0.06 -1.26 -4.99 117.38 108.91 3gkh n GLN 200 Ca 0.00 0.05 -0.42 0.00 -2.00 0.00 0.00 57.00 54.63 3gkh n GLN 200 Cb 0.00 -0.70 -0.03 0.00 -4.06 0.00 0.00 30.24 25.45 3gkh n GLN 200 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3gkh s ALA 201 N -2.10 3.78 0.32 1.69 0.00 -1.26 -4.90 121.76 119.28 3gkh s ALA 201 Ca -0.08 1.37 0.18 0.00 0.00 0.00 0.00 51.96 53.43 3gkh s ALA 201 Cb 0.03 -3.67 0.89 0.00 0.00 0.00 0.00 23.12 20.37 3gkh s ALA 201 CO 0.10 -0.93 1.86 -1.00 0.00 0.00 0.00 175.76 175.78 3gkh h PRO 202 N 7.40 0.00 -3.02 0.00 0.13 -1.92 -3.39 132.00 131.20 3gkh h PRO 202 Ca -0.43 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.66 3gkh h PRO 202 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 3gkh h PRO 202 CO 0.93 0.31 0.08 -0.59 -0.23 0.00 0.00 178.00 178.50 3gkh s PHE 203 N -4.01 -0.42 0.14 1.56 -0.12 -1.26 -4.66 117.98 109.21 3gkh s PHE 203 Ca -0.02 0.26 -0.25 0.00 -0.05 0.00 0.00 56.93 56.87 3gkh s PHE 203 Cb 0.13 0.41 -0.07 0.00 -0.63 0.00 0.00 43.02 42.86 3gkh s PHE 203 CO 0.68 -0.74 0.78 0.99 -0.05 0.00 0.00 175.22 176.88 3gkh s THR 204 N -3.34 4.43 -0.12 -4.49 2.01 -1.26 -4.36 115.64 108.52 3gkh s THR 204 Ca -0.00 1.71 0.02 0.00 0.31 0.00 0.00 61.69 63.73 3gkh s THR 204 Cb -0.00 -4.14 -0.00 0.00 0.01 0.00 0.00 72.50 68.36 3gkh s THR 204 CO -0.09 0.49 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.50 3gkh s ILE 205 N -0.92 2.37 -0.34 1.82 1.09 -0.01 -3.26 121.20 121.95 3gkh s ILE 205 Ca 0.37 -0.90 -0.12 0.00 -1.10 0.00 0.00 60.65 58.89 3gkh s ILE 205 Cb -0.23 -1.94 -0.01 0.00 -1.06 0.00 0.00 42.46 39.22 3gkh s ILE 205 CO 0.26 0.55 0.22 0.42 -0.10 0.00 0.00 174.94 176.28 3gkh s THR 206 N 0.42 5.04 0.27 2.92 -4.23 -0.09 -4.63 115.64 115.34 3gkh s THR 206 Ca -0.15 -0.36 -0.22 0.00 -1.18 0.00 0.00 61.69 59.78 3gkh s THR 206 Cb -0.17 -3.62 -0.09 0.00 1.34 0.00 0.00 72.50 69.96 3gkh s THR 206 CO 0.07 -0.03 0.81 -2.16 -0.54 0.00 0.00 174.62 172.77 3gkh s PRO 207 N 1.68 4.36 -0.13 3.99 0.04 -1.26 -1.32 135.00 142.36 3gkh s PRO 207 Ca 0.05 1.04 0.01 0.00 0.04 0.00 0.00 61.00 62.14 3gkh s PRO 207 Cb -0.18 -2.79 0.02 0.00 0.04 0.00 0.00 34.50 31.59 3gkh s PRO 207 CO 0.09 0.32 -0.14 0.08 0.04 0.00 0.00 177.00 177.39 3gkh s VAL 208 N -1.61 1.49 -0.23 -0.36 1.01 -0.20 -4.91 120.40 115.59 3gkh s VAL 208 Ca 0.47 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.76 3gkh s VAL 208 Cb -0.17 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 3gkh s VAL 208 CO 0.21 0.44 0.08 -0.36 0.00 0.00 0.00 175.10 175.48 3gkh s PHE 209 N 1.26 3.14 -0.26 5.22 0.40 -1.26 -0.55 117.98 125.92 3gkh s PHE 209 Ca -0.01 -0.23 -0.25 0.00 -0.60 0.00 0.00 56.93 55.84 3gkh s PHE 209 Cb -0.14 -2.21 0.08 0.00 0.51 0.00 0.00 43.02 41.26 3gkh s PHE 209 CO -0.06 -0.20 0.75 0.45 0.70 0.00 0.00 175.22 176.86 3gkh s SER 210 N 1.29 -0.71 0.00 1.36 0.15 -0.77 -4.76 113.70 110.25 3gkh s SER 210 Ca 0.05 1.34 0.20 0.00 0.70 0.00 0.00 55.95 58.24 3gkh s SER 210 Cb -0.15 1.35 0.68 0.00 -1.71 0.00 0.00 66.02 66.19 3gkh s SER 210 CO 0.04 -0.26 1.51 0.47 1.20 0.00 0.00 173.24 176.19 3gkh n ASP 211 N 2.52 1.81 -4.25 5.45 8.00 -1.26 -2.80 116.55 126.01 3gkh n ASP 211 Ca -0.14 -1.76 -0.22 0.00 0.71 0.00 0.00 54.79 53.38 3gkh n ASP 211 Cb 0.55 -0.13 -0.12 0.00 -0.02 0.00 0.00 41.12 41.40 3gkh n ASP 211 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3gkh s PHE 212 N -1.74 1.59 0.74 1.24 0.08 -1.26 -4.99 117.98 113.64 3gkh s PHE 212 Ca 0.32 -0.44 -0.15 0.00 0.12 0.00 0.00 56.93 56.77 3gkh s PHE 212 Cb 0.17 -0.87 0.02 0.00 -0.57 0.00 0.00 43.02 41.78 3gkh s PHE 212 CO 0.25 0.16 1.03 -2.30 -0.10 0.00 0.00 175.22 174.27 3gkh n PRO 213 N 1.06 0.47 -3.80 0.24 -0.02 -1.26 -4.63 135.00 127.05 3gkh n PRO 213 Ca -0.19 0.22 -0.29 0.00 -2.02 0.00 0.00 63.50 61.22 3gkh n PRO 213 Cb 0.54 -2.29 -0.16 0.00 -0.02 0.00 0.00 33.50 31.57 3gkh n PRO 213 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gkh s VAL 214 N -1.86 0.88 -1.52 -1.45 1.01 -0.05 -4.83 120.40 112.57 3gkh s VAL 214 Ca 0.74 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 3gkh s VAL 214 Cb -0.33 -1.32 0.05 0.00 0.00 0.00 0.00 36.38 34.78 3gkh s VAL 214 CO 0.50 -0.20 0.50 1.41 0.00 0.00 0.00 175.10 177.31 3gkh n HIS 215 N 4.91 -1.64 0.00 5.22 8.25 -1.26 -0.96 115.22 129.74 3gkh n HIS 215 Ca -0.10 0.75 0.00 0.00 -0.26 0.00 0.00 57.72 58.12 3gkh n HIS 215 Cb 0.46 -3.38 0.00 0.00 1.12 0.00 0.00 29.99 28.19 3gkh n HIS 215 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gkh n GLY 216 N -1.85 2.55 3.74 -1.41 0.00 -1.26 -5.02 105.19 101.94 3gkh n GLY 216 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 3gkh n GLY 216 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gkh s MET 217 N -0.35 4.65 -0.40 1.61 -1.94 -0.14 -5.03 119.30 117.70 3gkh s MET 217 Ca 0.00 1.32 -0.07 0.00 -1.71 0.00 0.00 55.69 55.22 3gkh s MET 217 Cb 0.00 -3.35 0.07 0.00 2.01 0.00 0.00 34.83 33.57 3gkh s MET 217 CO 0.00 0.31 0.21 -1.21 -0.01 0.00 0.00 175.02 174.32 3gkh s GLU 218 N -0.30 2.52 0.60 2.03 2.02 -0.00 -0.87 118.70 124.69 3gkh s GLU 218 Ca 0.43 -1.45 -0.20 0.00 0.02 0.00 0.00 54.97 53.77 3gkh s GLU 218 Cb -0.23 -3.67 -0.03 0.00 0.10 0.00 0.00 34.13 30.31 3gkh s GLU 218 CO 0.28 -0.90 1.30 -2.30 0.02 0.00 0.00 175.26 173.66 3gkh n PRO 219 N 4.84 1.35 -2.14 0.39 -0.02 -1.26 -4.19 135.00 133.97 3gkh n PRO 219 Ca -0.10 0.51 -0.43 0.00 -2.02 0.00 0.00 63.50 61.47 3gkh n PRO 219 Cb 0.43 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.36 3gkh n PRO 219 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3gkh s MET 220 N -3.11 3.76 -0.34 -0.52 1.75 -0.28 -4.67 119.30 115.88 3gkh s MET 220 Ca 0.77 1.58 0.15 0.00 -1.25 0.00 0.00 55.69 56.94 3gkh s MET 220 Cb -0.40 -4.04 0.46 0.00 2.84 0.00 0.00 34.83 33.69 3gkh s MET 220 CO 0.45 -1.34 1.01 -1.71 -0.65 0.00 0.00 175.02 172.78 3gkh n ASN 221 N 8.56 2.38 -4.60 1.11 2.85 -1.26 -0.00 115.26 124.29 3gkh n ASN 221 Ca 0.19 -2.93 -0.37 0.00 -0.11 0.00 0.00 54.58 51.36 3gkh n ASN 221 Cb 0.46 -0.50 0.07 0.00 1.24 0.00 0.00 39.78 41.05 3gkh n ASN 221 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3gkh n ASN 222 N -0.24 0.48 -4.70 1.20 4.13 -1.26 -4.92 115.26 109.95 3gkh n ASN 222 Ca 0.17 0.72 -0.39 0.00 1.68 0.00 0.00 54.58 56.77 3gkh n ASN 222 Cb 0.78 -1.39 0.04 0.00 -1.54 0.00 0.00 39.78 37.68 3gkh n ASN 222 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gkh n ALA 223 N -2.16 1.17 -2.42 5.41 0.00 -1.26 -4.81 120.51 116.45 3gkh n ALA 223 Ca 0.13 0.12 -0.21 0.00 0.00 0.00 0.00 53.44 53.49 3gkh n ALA 223 Cb 0.49 -2.28 -0.10 0.00 0.00 0.00 0.00 19.45 17.55 3gkh n ALA 223 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gkh s THR 224 N -1.32 1.72 -0.11 0.00 -4.23 -1.26 -5.04 115.64 105.41 3gkh s THR 224 Ca 0.71 -2.16 0.02 0.00 -1.18 0.00 0.00 61.69 59.08 3gkh s THR 224 Cb -0.44 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 71.04 3gkh s THR 224 CO 0.50 -0.37 -0.18 -0.54 -0.54 0.00 0.00 174.62 173.49 3gkh s LYS 225 N -3.69 3.11 0.86 3.99 1.02 -1.26 -5.13 119.74 118.63 3gkh s LYS 225 Ca 0.28 -0.78 -0.12 0.00 0.02 0.00 0.00 55.97 55.37 3gkh s LYS 225 Cb 0.02 -2.44 0.11 0.00 -0.52 0.00 0.00 37.83 34.99 3gkh s LYS 225 CO 0.11 0.25 1.11 0.20 -0.92 0.00 0.00 175.35 176.10 3gkh s GLY 226 N 0.21 1.60 0.05 -3.33 0.00 -1.26 -4.70 107.32 99.89 3gkh s GLY 226 Ca -0.11 -0.34 0.19 0.00 0.00 0.00 0.00 44.72 44.46 3gkh s GLY 226 CO 0.06 0.16 1.61 0.00 0.00 0.00 0.00 173.10 174.93 3gkh n ASP 228 N -1.66 1.54 -4.57 0.00 3.85 -1.26 -1.50 116.55 112.96 3gkh n ASP 228 Ca 0.04 -1.57 -0.30 0.00 -0.71 0.00 0.00 54.79 52.26 3gkh n ASP 228 Cb 0.23 -0.04 -0.10 0.00 -1.35 0.00 0.00 41.12 39.86 3gkh n ASP 228 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 3gkh s GLU 229 N -1.93 2.12 0.25 0.11 2.02 -0.92 -4.82 118.70 115.54 3gkh s GLU 229 Ca 0.36 -1.02 -0.30 0.00 0.02 0.00 0.00 54.97 54.04 3gkh s GLU 229 Cb 0.20 -2.30 -0.09 0.00 0.10 0.00 0.00 34.13 32.04 3gkh s GLU 229 CO 0.31 0.51 1.06 -1.12 0.02 0.00 0.00 175.26 176.05 3gkh s SER 230 N -2.12 7.35 0.10 -0.19 0.01 -1.26 -4.26 113.70 113.34 3gkh s SER 230 Ca 0.21 2.16 -0.17 0.00 1.31 0.00 0.00 55.95 59.46 3gkh s SER 230 Cb -0.11 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.45 3gkh s SER 230 CO 0.13 -0.09 1.54 0.58 0.41 0.00 0.00 173.24 175.80 3gkh h VAL 231 N 3.24 1.26 -2.55 3.43 2.07 -1.81 -3.48 116.25 118.40 3gkh h VAL 231 Ca -0.46 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.04 3gkh h VAL 231 Cb 1.21 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 3gkh h VAL 231 CO 0.68 0.32 0.07 -0.90 0.02 0.00 0.00 177.57 177.76 3gkh n ASP 232 N -4.53 -0.91 0.30 0.57 5.68 -1.26 -5.03 116.55 111.37 3gkh n ASP 232 Ca -0.02 -1.74 0.17 0.00 -0.50 0.00 0.00 54.79 52.70 3gkh n ASP 232 Cb 0.27 1.54 0.92 0.00 -1.14 0.00 0.00 41.12 42.71 3gkh n ASP 232 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3gkh h GLU 233 N 0.00 0.00 -0.36 0.11 3.07 -2.03 -2.65 114.58 112.72 3gkh h GLU 233 Ca -0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 3gkh h GLU 233 Cb 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 3gkh h GLU 233 CO 0.18 0.04 0.00 1.33 -1.40 0.00 0.00 179.01 179.16 3gkh n VAL 234 N -3.42 0.85 -4.34 3.13 0.24 -1.26 -4.94 118.33 108.59 3gkh n VAL 234 Ca -0.02 -0.93 -0.26 0.00 -2.04 0.00 0.00 64.34 61.09 3gkh n VAL 234 Cb 0.16 0.61 -0.17 0.00 -1.47 0.00 0.00 33.84 32.98 3gkh n VAL 234 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3gkh s THR 235 N -1.02 1.16 0.67 3.34 2.01 -1.00 -5.12 115.64 115.69 3gkh s THR 235 Ca 0.26 -0.44 -0.11 0.00 0.31 0.00 0.00 61.69 61.71 3gkh s THR 235 Cb 0.14 -1.09 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 3gkh s THR 235 CO 0.19 0.37 1.05 0.00 -0.69 0.00 0.00 174.62 175.54 3gkh s ALA 236 N 1.05 2.86 1.06 7.40 0.00 -1.26 -3.85 121.76 129.02 3gkh s ALA 236 Ca -0.07 -0.06 -0.12 0.00 0.00 0.00 0.00 51.96 51.71 3gkh s ALA 236 Cb -0.15 -3.11 0.22 0.00 0.00 0.00 0.00 23.12 20.09 3gkh s ALA 236 CO -0.01 -1.01 1.07 -2.14 0.00 0.00 0.00 175.76 173.67 3gkh s PRO 237 N -5.15 -0.07 0.77 0.00 0.02 -1.26 -4.59 135.00 124.72 3gkh s PRO 237 Ca 0.57 0.99 -0.11 0.00 0.02 0.00 0.00 61.00 62.47 3gkh s PRO 237 Cb -0.12 -1.64 0.05 0.00 0.02 0.00 0.00 34.50 32.81 3gkh s PRO 237 CO 0.54 -3.20 1.08 0.00 -0.33 0.00 0.00 177.00 175.10 3gkh s SER 239 N -3.50 4.84 0.33 0.00 1.04 -1.26 -4.86 113.70 110.28 3gkh s SER 239 Ca 0.61 1.41 0.04 0.00 0.48 0.00 0.00 55.95 58.49 3gkh s SER 239 Cb -0.16 -2.20 0.66 0.00 0.10 0.00 0.00 66.02 64.41 3gkh s SER 239 CO 0.56 -1.76 1.92 0.00 0.98 0.00 0.00 173.24 174.94 3gkh h GLN 241 N 0.87 0.47 -0.04 0.00 4.15 -1.95 -2.66 115.11 115.95 3gkh h GLN 241 Ca 0.37 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.76 3gkh h GLN 241 Cb 0.32 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.90 3gkh h GLN 241 CO -0.14 0.31 0.00 -0.25 -1.93 0.00 0.00 178.83 176.82 3gkh n ASP 242 N -4.48 2.39 -3.18 -0.69 8.00 -0.79 -4.49 116.55 113.32 3gkh n ASP 242 Ca 0.10 -1.69 0.03 0.00 0.71 0.00 0.00 54.79 53.93 3gkh n ASP 242 Cb 0.33 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.41 3gkh n ASP 242 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gkh h SER 244 N 7.64 0.00 -0.80 0.00 4.64 -1.86 -2.68 113.55 120.50 3gkh h SER 244 Ca 0.01 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.34 3gkh h SER 244 Cb 1.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 3gkh h SER 244 CO 0.13 0.00 0.53 0.40 -0.87 0.00 0.00 176.83 177.02 3gkh h ILE 245 N 0.00 1.20 0.00 0.95 2.04 -1.95 -3.05 117.51 116.69 3gkh h ILE 245 Ca 0.00 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3gkh h ILE 245 Cb 0.24 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3gkh h ILE 245 CO 0.00 0.20 0.00 1.33 0.00 0.00 0.00 178.15 179.68 3gkh n VAL 246 N -4.54 0.02 1.02 1.67 0.24 -1.01 -5.09 118.33 110.65 3gkh n VAL 246 Ca 0.08 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.47 3gkh n VAL 246 Cb 0.02 -0.51 0.49 0.00 -1.47 0.00 0.00 33.84 32.36 3gkh n VAL 246 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69