#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gkj s SER 24 N 0.00 -0.12 0.50 1.08 0.15 -1.20 -4.35 113.70 109.77 3gkj s SER 24 Ca 0.00 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.75 3gkj s SER 24 Cb 0.00 0.32 0.01 0.00 -1.71 0.00 0.00 66.02 64.65 3gkj s SER 24 CO 0.00 -0.29 0.73 0.00 1.20 0.00 0.00 173.24 174.88 3gkj n VAL 26 N -2.23 0.02 -4.12 0.00 0.24 -1.07 -4.14 118.33 107.03 3gkj n VAL 26 Ca 0.04 -0.13 -0.11 0.00 -2.04 0.00 0.00 64.34 62.11 3gkj n VAL 26 Cb 0.58 0.31 -0.09 0.00 -1.47 0.00 0.00 33.84 33.18 3gkj n VAL 26 CO 0.00 0.00 0.00 -1.66 -2.14 0.00 0.00 176.83 173.03 3gkj s TRP 27 N -2.36 0.83 -0.30 6.34 -2.14 -0.96 -1.81 118.94 118.54 3gkj s TRP 27 Ca -0.02 -1.14 -0.11 0.00 2.66 0.00 0.00 56.10 57.49 3gkj s TRP 27 Cb 0.03 -0.33 0.15 0.00 -3.10 0.00 0.00 33.47 30.22 3gkj s TRP 27 CO 0.22 -0.69 0.81 -0.47 -2.66 0.00 0.00 176.95 174.16 3gkj s TYR 28 N -4.08 -1.05 0.00 1.66 5.04 -0.26 -4.64 117.35 114.02 3gkj s TYR 28 Ca 0.29 1.71 0.00 0.00 -2.44 0.00 0.00 57.07 56.63 3gkj s TYR 28 Cb 0.05 0.59 0.00 0.00 0.35 0.00 0.00 41.96 42.95 3gkj s TYR 28 CO 0.07 -0.53 0.00 0.41 -1.34 0.00 0.00 175.55 174.16 3gkj n GLY 29 N 5.25 -1.54 3.89 8.97 0.00 -1.26 -4.21 105.19 116.29 3gkj n GLY 29 Ca -0.09 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 3gkj n GLY 29 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gkj s GLU 30 N -2.18 3.54 0.00 1.61 2.02 -1.26 -0.71 118.70 121.72 3gkj s GLU 30 Ca 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 54.97 54.85 3gkj s GLU 30 Cb 0.00 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 31.15 3gkj s GLU 30 CO 0.00 0.65 0.00 0.00 0.02 0.00 0.00 175.26 175.93 3gkj s GLY 32 N 0.00 1.63 0.18 0.00 0.00 -1.25 -4.72 107.32 103.16 3gkj s GLY 32 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 44.72 43.76 3gkj s GLY 32 CO 0.00 -0.27 1.31 -0.42 0.00 0.00 0.00 173.10 173.73 3gkj s ILE 33 N -3.30 3.27 -0.08 0.90 -1.09 -1.26 -0.80 121.20 118.84 3gkj s ILE 33 Ca 0.59 1.02 -0.03 0.00 -2.23 0.00 0.00 60.65 59.99 3gkj s ILE 33 Cb -0.11 -3.65 -0.01 0.00 -1.58 0.00 0.00 42.46 37.11 3gkj s ILE 33 CO 0.48 0.14 -0.06 0.00 -1.23 0.00 0.00 174.94 174.26 3gkj h ALA 34 N 5.63 0.00 -2.98 9.38 0.00 -0.16 -3.45 119.26 127.68 3gkj h ALA 34 Ca -0.44 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.25 3gkj h ALA 34 Cb 1.21 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 19.09 3gkj h ALA 34 CO 0.79 0.18 0.19 1.52 0.00 0.00 0.00 179.25 181.93 3gkj s TYR 35 N -1.60 -0.35 0.00 0.00 1.13 -1.22 -5.02 117.35 110.30 3gkj s TYR 35 Ca -0.05 0.02 0.00 0.00 -1.41 0.00 0.00 57.07 55.63 3gkj s TYR 35 Cb 0.01 0.60 0.00 0.00 -1.10 0.00 0.00 41.96 41.46 3gkj s TYR 35 CO 0.08 -1.01 0.00 0.41 -2.51 0.00 0.00 175.55 172.52 3gkj n GLY 36 N -0.41 2.82 1.81 5.49 0.00 -1.26 -0.32 105.19 113.33 3gkj n GLY 36 Ca -0.11 0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 3gkj n GLY 36 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gkj n ASP 37 N 2.27 4.59 -4.70 1.61 5.68 -1.26 -4.98 116.55 119.75 3gkj n ASP 37 Ca 0.00 -2.99 -0.34 0.00 -0.50 0.00 0.00 54.79 50.96 3gkj n ASP 37 Cb 0.00 -0.70 -0.09 0.00 -1.14 0.00 0.00 41.12 39.19 3gkj n ASP 37 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3gkj s LYS 38 N -2.61 2.96 0.08 0.11 1.02 0.56 -5.02 119.74 116.85 3gkj s LYS 38 Ca 0.47 -0.46 0.09 0.00 0.02 0.00 0.00 55.97 56.10 3gkj s LYS 38 Cb 0.37 -2.79 -0.03 0.00 -0.52 0.00 0.00 37.83 34.86 3gkj s LYS 38 CO 0.12 0.68 -0.23 1.03 -0.92 0.00 0.00 175.35 176.04 3gkj s ARG 39 N -1.17 1.77 0.52 1.68 1.81 -1.26 0.58 118.95 122.89 3gkj s ARG 39 Ca 0.16 -1.15 -0.15 0.00 -1.72 0.00 0.00 55.73 52.87 3gkj s ARG 39 Cb -0.11 -2.04 -0.07 0.00 -0.45 0.00 0.00 34.95 32.27 3gkj s ARG 39 CO 0.06 0.50 0.98 0.71 -0.68 0.00 0.00 175.30 176.86 3gkj s TYR 40 N -0.97 3.49 0.37 -0.53 1.51 0.02 -4.77 117.35 116.46 3gkj s TYR 40 Ca 0.14 1.40 -0.06 0.00 -1.01 0.00 0.00 57.07 57.55 3gkj s TYR 40 Cb -0.10 -2.75 -0.05 0.00 -0.11 0.00 0.00 41.96 38.95 3gkj s TYR 40 CO 0.06 -0.41 0.66 -0.80 -1.11 0.00 0.00 175.55 173.95 3gkj s ASN 41 N -3.28 6.39 0.04 2.29 0.01 -1.26 -0.23 114.94 118.90 3gkj s ASN 41 Ca 0.58 0.83 -0.28 0.00 -0.71 0.00 0.00 52.86 53.28 3gkj s ASN 41 Cb -0.10 -2.20 -0.05 0.00 0.41 0.00 0.00 41.25 39.32 3gkj s ASN 41 CO 0.35 -0.36 0.87 0.00 -1.51 0.00 0.00 177.10 176.46 3gkj s GLU 43 N 0.37 4.18 -0.28 0.00 2.12 0.83 -1.11 118.70 124.80 3gkj s GLU 43 Ca 0.44 2.47 -0.14 0.00 0.36 0.00 0.00 54.97 58.11 3gkj s GLU 43 Cb -0.21 -3.04 0.09 0.00 0.26 0.00 0.00 34.13 31.23 3gkj s GLU 43 CO 0.26 -0.53 0.67 -0.47 -0.54 0.00 0.00 175.26 174.64 3gkj s TYR 44 N -0.24 -1.12 -0.16 5.30 5.04 -0.75 -4.71 117.35 120.71 3gkj s TYR 44 Ca 0.60 2.15 0.13 0.00 -2.44 0.00 0.00 57.07 57.51 3gkj s TYR 44 Cb -0.45 0.67 0.25 0.00 0.35 0.00 0.00 41.96 42.77 3gkj s TYR 44 CO 0.49 -0.56 1.16 -1.13 -1.34 0.00 0.00 175.55 174.17 3gkj n SER 45 N 4.62 2.53 -2.87 4.32 3.41 -1.26 -2.27 113.62 122.10 3gkj n SER 45 Ca -0.18 -2.70 -0.12 0.00 -0.26 0.00 0.00 58.87 55.62 3gkj n SER 45 Cb 0.56 -0.31 0.08 0.00 -0.26 0.00 0.00 64.21 64.27 3gkj n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gkj n GLY 46 N -0.89 -0.73 3.76 5.00 0.00 -1.26 -4.46 105.19 106.62 3gkj n GLY 46 Ca 0.12 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 3gkj n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gkj s PRO 47 N -4.02 2.13 0.78 1.61 0.04 -1.26 -1.04 135.00 133.24 3gkj s PRO 47 Ca 0.30 1.11 -0.12 0.00 0.04 0.00 0.00 61.00 62.33 3gkj s PRO 47 Cb -0.01 -1.89 0.07 0.00 0.04 0.00 0.00 34.50 32.71 3gkj s PRO 47 CO 0.21 -1.71 1.14 -1.25 0.04 0.00 0.00 177.00 175.43 3gkj s PRO 48 N -4.91 1.99 -0.03 0.56 0.04 -1.26 -4.77 135.00 126.62 3gkj s PRO 48 Ca 0.61 1.48 0.07 0.00 0.04 0.00 0.00 61.00 63.20 3gkj s PRO 48 Cb -0.17 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 3gkj s PRO 48 CO 0.56 -1.89 -0.24 0.15 0.04 0.00 0.00 177.00 175.62 3gkj s LYS 49 N -4.41 2.22 0.21 4.56 1.02 -0.21 -4.69 119.74 118.43 3gkj s LYS 49 Ca 0.67 -0.89 -0.32 0.00 0.02 0.00 0.00 55.97 55.46 3gkj s LYS 49 Cb -0.23 -2.11 -0.12 0.00 -0.52 0.00 0.00 37.83 34.85 3gkj s LYS 49 CO 0.51 0.55 1.70 -2.30 -0.92 0.00 0.00 175.35 174.89 3gkj n PRO 50 N 2.47 2.70 -2.30 -1.68 -0.02 -1.26 -1.23 135.00 133.68 3gkj n PRO 50 Ca -0.16 0.97 -0.41 0.00 -2.02 0.00 0.00 63.50 61.88 3gkj n PRO 50 Cb 0.51 -2.81 -0.03 0.00 -0.02 0.00 0.00 33.50 31.15 3gkj n PRO 50 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3gkj s LEU 51 N 1.06 4.45 0.63 2.45 2.96 -0.01 -4.90 118.68 125.31 3gkj s LEU 51 Ca 0.75 2.35 -0.18 0.00 -0.22 0.00 0.00 54.13 56.83 3gkj s LEU 51 Cb -0.52 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.53 3gkj s LEU 51 CO 0.34 -0.42 1.26 -2.65 -1.32 0.00 0.00 176.35 173.55 3gkj n PRO 52 N 2.21 1.15 0.21 0.98 -0.02 -1.26 -4.88 135.00 133.39 3gkj n PRO 52 Ca 0.04 0.45 0.13 0.00 -2.02 0.00 0.00 63.50 62.09 3gkj n PRO 52 Cb 0.44 -2.49 0.72 0.00 -0.02 0.00 0.00 33.50 32.14 3gkj n PRO 52 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3gkj h LYS 53 N 0.62 0.00 0.00 -0.52 1.57 -2.00 -0.80 116.57 115.44 3gkj h LYS 53 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3gkj h LYS 53 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 3gkj h LYS 53 CO 0.53 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.01 3gkj n ASP 54 N -4.31 0.00 -0.94 0.86 5.68 -1.26 -1.27 116.55 115.31 3gkj n ASP 54 Ca -0.00 0.48 0.11 0.00 -0.50 0.00 0.00 54.79 54.88 3gkj n ASP 54 Cb 0.22 -0.49 0.12 0.00 -1.14 0.00 0.00 41.12 39.83 3gkj n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gkj n GLY 55 N -0.57 1.04 0.33 6.12 0.00 -0.30 -4.64 105.19 107.17 3gkj n GLY 55 Ca 0.02 -0.66 -0.05 0.00 0.00 0.00 0.00 46.02 45.34 3gkj n GLY 55 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3gkj h TYR 56 N 4.35 1.13 -0.49 1.61 -1.99 -1.28 -1.07 116.97 119.24 3gkj h TYR 56 Ca 0.00 -0.09 0.04 0.00 2.00 0.00 0.00 58.73 60.68 3gkj h TYR 56 Cb 0.94 -0.34 -0.04 0.00 2.00 0.00 0.00 36.73 39.29 3gkj h TYR 56 CO 0.06 0.87 0.25 -0.44 -0.00 0.00 0.00 178.16 178.90 3gkj h ASP 57 N 1.08 0.37 -0.36 3.88 5.19 -1.82 -0.44 116.42 124.33 3gkj h ASP 57 Ca 0.25 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.66 3gkj h ASP 57 Cb 0.22 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.67 3gkj h ASP 57 CO -0.02 0.26 0.12 -0.07 -3.12 0.00 0.00 179.24 176.42 3gkj h LEU 58 N 0.50 0.51 -0.62 1.55 3.38 -1.75 -1.76 115.31 117.12 3gkj h LEU 58 Ca 0.21 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 3gkj h LEU 58 Cb 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3gkj h LEU 58 CO -0.14 0.57 -0.27 1.62 0.09 0.00 0.00 178.44 180.31 3gkj h VAL 59 N 0.43 1.27 -0.70 1.22 3.04 -1.00 -0.44 116.25 120.07 3gkj h VAL 59 Ca 0.12 -1.41 -0.00 0.00 -1.01 0.00 0.00 66.70 64.40 3gkj h VAL 59 Cb 0.23 1.26 -0.03 0.00 -2.01 0.00 0.00 31.29 30.74 3gkj h VAL 59 CO -0.01 0.47 0.43 1.56 -1.01 0.00 0.00 177.57 179.02 3gkj h GLN 60 N 0.69 0.93 0.07 4.17 4.20 -0.98 0.22 115.11 124.42 3gkj h GLN 60 Ca 0.09 -0.07 -0.27 0.00 0.06 0.00 0.00 58.65 58.46 3gkj h GLN 60 Cb 0.80 -0.20 0.02 0.00 0.30 0.00 0.00 27.48 28.40 3gkj h GLN 60 CO 0.07 0.64 -1.08 1.49 -0.67 0.00 0.00 178.83 179.28 3gkj h GLU 61 N 0.96 0.61 0.02 1.46 4.81 -0.76 -3.34 114.58 118.34 3gkj h GLU 61 Ca 0.25 -0.75 -0.39 0.00 -0.13 0.00 0.00 59.36 58.34 3gkj h GLU 61 Cb -0.06 0.23 -0.06 0.00 0.63 0.00 0.00 28.75 29.49 3gkj h GLU 61 CO -0.05 1.33 -2.38 1.28 -0.73 0.00 0.00 179.01 178.46 3gkj n LEU 62 N -3.88 2.76 -3.10 1.64 4.77 -0.22 -4.77 117.00 114.20 3gkj n LEU 62 Ca -0.12 -0.01 -0.16 0.00 -0.03 0.00 0.00 56.01 55.69 3gkj n LEU 62 Cb 0.91 -0.93 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 3gkj n LEU 62 CO 0.56 0.86 -0.17 0.00 -1.33 0.00 0.00 177.39 177.31 3gkj h PRO 64 N 2.99 0.00 0.00 0.00 0.13 -1.61 -0.99 132.00 132.53 3gkj h PRO 64 Ca 0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.18 3gkj h PRO 64 Cb 1.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 3gkj h PRO 64 CO 0.46 0.00 -0.04 0.78 -0.23 0.00 0.00 178.00 178.97 3gkj h GLY 65 N 0.28 0.00 0.42 1.56 0.00 -1.92 -1.85 103.07 101.55 3gkj h GLY 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gkj h GLY 65 CO 0.00 0.00 -0.28 0.69 0.00 0.00 0.00 176.54 176.95 3gkj n PHE 66 N -4.00 0.00 -2.52 5.60 0.99 -0.37 -4.75 117.46 112.40 3gkj n PHE 66 Ca -0.03 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 56.99 3gkj n PHE 66 Cb 0.13 -0.15 0.00 0.00 -1.00 0.00 0.00 39.48 38.47 3gkj n PHE 66 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3gkj n PHE 67 N -0.81 3.73 -3.56 1.38 -0.00 -0.70 -4.63 117.46 112.88 3gkj n PHE 67 Ca 0.11 -2.99 -0.11 0.00 -0.00 0.00 0.00 57.45 54.46 3gkj n PHE 67 Cb 0.34 -2.09 -0.03 0.00 -0.00 0.00 0.00 39.48 37.70 3gkj n PHE 67 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.76 176.17 3gkj s PHE 68 N 1.07 -0.34 0.00 -5.13 -0.12 -1.26 -5.04 117.98 107.15 3gkj s PHE 68 Ca 0.42 0.07 0.00 0.00 -0.05 0.00 0.00 56.93 57.36 3gkj s PHE 68 Cb 0.05 0.43 0.00 0.00 -0.63 0.00 0.00 43.02 42.87 3gkj s PHE 68 CO 0.00 -0.82 0.00 0.41 -0.05 0.00 0.00 175.22 174.77 3gkj n GLY 69 N -0.32 3.11 0.00 1.99 0.00 -1.26 -1.34 105.19 107.37 3gkj n GLY 69 Ca -0.15 -0.26 0.15 0.00 0.00 0.00 0.00 46.02 45.75 3gkj n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gkj n GLN 70 N 14.00 0.82 -3.77 1.61 6.02 -1.26 -4.91 117.38 129.88 3gkj n GLN 70 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.75 3gkj n GLN 70 Cb 0.00 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 29.78 3gkj n GLN 70 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3gkj n VAL 71 N -1.07 -4.42 -2.81 5.09 0.31 -0.45 -3.79 118.33 111.19 3gkj n VAL 71 Ca 0.21 -0.63 -0.42 0.00 -0.01 0.00 0.00 64.34 63.49 3gkj n VAL 71 Cb 0.13 -3.59 -0.04 0.00 -0.91 0.00 0.00 33.84 29.44 3gkj n VAL 71 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3gkj s SER 72 N -4.15 6.77 0.18 4.52 0.01 -1.26 -0.83 113.70 118.94 3gkj s SER 72 Ca 0.11 0.81 0.03 0.00 1.31 0.00 0.00 55.95 58.22 3gkj s SER 72 Cb -0.04 -2.46 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 3gkj s SER 72 CO 0.85 -0.73 -0.04 -0.76 0.41 0.00 0.00 173.24 172.96 3gkj s LEU 73 N 3.26 2.31 -0.26 2.44 1.43 -0.37 -4.48 118.68 123.01 3gkj s LEU 73 Ca 0.38 -1.12 0.08 0.00 -1.03 0.00 0.00 54.13 52.43 3gkj s LEU 73 Cb -0.13 -0.22 0.59 0.00 0.03 0.00 0.00 46.19 46.46 3gkj s LEU 73 CO 0.14 -0.46 1.58 0.00 0.23 0.00 0.00 176.35 177.84 3gkj n ASP 76 N 0.76 2.11 -0.28 0.00 3.85 -1.26 -4.89 116.55 116.85 3gkj n ASP 76 Ca -0.18 -2.46 -0.06 0.00 -0.71 0.00 0.00 54.79 51.39 3gkj n ASP 76 Cb 0.57 -0.24 0.07 0.00 -1.35 0.00 0.00 41.12 40.18 3gkj n ASP 76 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 3gkj h VAL 77 N 0.31 1.26 -0.54 2.12 2.07 -1.96 -2.58 116.25 116.92 3gkj h VAL 77 Ca -0.26 -0.87 0.08 0.00 0.82 0.00 0.00 66.70 66.47 3gkj h VAL 77 Cb 1.09 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 3gkj h VAL 77 CO 0.39 0.35 0.18 -0.09 0.02 0.00 0.00 177.57 178.42 3gkj h ARG 78 N 1.13 0.34 -0.79 1.57 9.65 -1.99 -0.62 114.38 123.68 3gkj h ARG 78 Ca 0.25 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 59.09 3gkj h ARG 78 Cb 0.26 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.73 3gkj h ARG 78 CO -0.01 0.23 0.39 1.96 2.80 0.00 0.00 179.97 185.33 3gkj h GLN 79 N 0.35 1.13 -0.58 0.20 4.20 -1.88 -0.08 115.11 118.46 3gkj h GLN 79 Ca 0.27 -0.16 -0.07 0.00 0.06 0.00 0.00 58.65 58.76 3gkj h GLN 79 Cb 0.32 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3gkj h GLN 79 CO -0.29 0.86 0.11 -0.07 -0.67 0.00 0.00 178.83 178.77 3gkj h LEU 80 N 1.11 0.91 -0.76 1.46 3.38 -1.03 0.12 115.31 120.50 3gkj h LEU 80 Ca 0.27 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3gkj h LEU 80 Cb 0.10 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3gkj h LEU 80 CO -0.04 0.93 0.50 -0.61 0.09 0.00 0.00 178.44 179.32 3gkj h GLN 81 N 0.85 1.01 -0.46 1.13 5.75 -0.77 0.37 115.11 122.99 3gkj h GLN 81 Ca 0.18 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.57 3gkj h GLN 81 Cb 0.40 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 3gkj h GLN 81 CO 0.01 0.67 0.13 1.15 -2.65 0.00 0.00 178.83 178.13 3gkj h THR 82 N 1.04 1.23 -0.23 2.39 2.02 -0.66 -0.81 112.91 117.89 3gkj h THR 82 Ca 0.28 -0.79 0.04 0.00 0.77 0.00 0.00 66.41 66.71 3gkj h THR 82 Cb -0.12 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 3gkj h THR 82 CO -0.06 0.28 -0.00 0.25 0.37 0.00 0.00 175.52 176.36 3gkj h LEU 83 N 0.61 -0.09 -0.65 2.58 5.85 -0.31 -1.50 115.31 121.79 3gkj h LEU 83 Ca 0.15 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.99 3gkj h LEU 83 Cb 0.30 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 3gkj h LEU 83 CO -0.00 -0.02 0.33 0.50 -0.34 0.00 0.00 178.44 178.91 3gkj h LYS 84 N 0.07 0.56 -0.18 1.25 3.64 -0.61 -2.09 116.57 119.21 3gkj h LYS 84 Ca 0.11 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 3gkj h LYS 84 Cb 0.14 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3gkj h LYS 84 CO -0.18 0.37 -0.17 -0.44 -2.27 0.00 0.00 179.45 176.76 3gkj h ASP 85 N 0.58 0.30 -0.01 4.20 3.32 -0.78 -2.06 116.42 121.97 3gkj h ASP 85 Ca 0.31 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3gkj h ASP 85 Cb 0.29 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3gkj h ASP 85 CO -0.23 0.49 0.00 0.59 -1.72 0.00 0.00 179.24 178.37 3gkj n ASN 86 N -4.21 0.46 -0.02 6.45 3.02 -0.60 -3.80 115.26 116.56 3gkj n ASN 86 Ca -0.00 -1.17 0.14 0.00 -0.03 0.00 0.00 54.58 53.52 3gkj n ASN 86 Cb 0.32 -0.00 0.68 0.00 -0.61 0.00 0.00 39.78 40.17 3gkj n ASN 86 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3gkj n LEU 87 N -0.63 0.10 -0.19 3.41 4.32 -0.77 -4.17 117.00 119.07 3gkj n LEU 87 Ca 0.22 0.27 -0.04 0.00 -0.02 0.00 0.00 56.01 56.44 3gkj n LEU 87 Cb 0.18 -0.31 0.06 0.00 -1.62 0.00 0.00 43.42 41.74 3gkj n LEU 87 CO 0.17 0.02 1.05 1.56 -1.22 0.00 0.00 177.39 178.98 3gkj h GLN 88 N 0.10 0.57 0.03 3.23 4.20 -1.76 -0.85 115.11 120.62 3gkj h GLN 88 Ca 0.00 -0.03 -0.22 0.00 0.06 0.00 0.00 58.65 58.46 3gkj h GLN 88 Cb 0.35 -0.13 0.02 0.00 0.30 0.00 0.00 27.48 28.02 3gkj h GLN 88 CO 0.00 0.38 -0.87 -0.07 -0.67 0.00 0.00 178.83 177.60 3gkj h LEU 89 N 0.59 0.71 -0.98 1.46 3.38 -1.91 0.12 115.31 118.69 3gkj h LEU 89 Ca 0.24 -0.78 0.07 0.00 0.09 0.00 0.00 57.88 57.51 3gkj h LEU 89 Cb 0.12 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 3gkj h LEU 89 CO -0.15 1.41 0.63 -0.65 0.09 0.00 0.00 178.44 179.76 3gkj h PRO 90 N 0.11 1.09 -0.61 1.13 0.11 -1.80 -1.55 132.00 130.48 3gkj h PRO 90 Ca -0.12 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.87 3gkj h PRO 90 Cb 1.57 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 32.40 3gkj h PRO 90 CO 0.17 0.72 0.16 1.25 -0.21 0.00 0.00 178.00 180.09 3gkj h LEU 91 N 1.13 0.89 -1.03 2.35 5.85 -1.00 0.51 115.31 124.00 3gkj h LEU 91 Ca 0.43 -0.17 0.20 0.00 0.84 0.00 0.00 57.88 59.19 3gkj h LEU 91 Cb 0.20 -0.23 -0.11 0.00 0.37 0.00 0.00 40.66 40.89 3gkj h LEU 91 CO -0.18 0.85 0.61 -0.61 -0.34 0.00 0.00 178.44 178.77 3gkj h GLN 92 N 0.91 0.69 0.00 1.25 5.75 0.29 -1.98 115.11 122.02 3gkj h GLN 92 Ca 0.20 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.64 3gkj h GLN 92 Cb 0.31 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.70 3gkj h GLN 92 CO -0.00 0.46 -1.55 1.19 -2.65 0.00 0.00 178.83 176.27 3gkj n PHE 93 N -4.78 0.00 0.23 3.99 3.01 -1.05 -4.68 117.46 114.18 3gkj n PHE 93 Ca 0.24 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.73 3gkj n PHE 93 Cb 0.62 -0.29 0.02 0.00 -0.01 0.00 0.00 39.48 39.82 3gkj n PHE 93 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3gkj n LEU 94 N -1.95 1.39 0.18 4.37 4.77 0.14 -4.68 117.00 121.22 3gkj n LEU 94 Ca -0.04 -0.97 0.07 0.00 -0.03 0.00 0.00 56.01 55.04 3gkj n LEU 94 Cb 0.36 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 42.02 3gkj n LEU 94 CO 0.24 0.29 1.09 0.77 -1.33 0.00 0.00 177.39 178.45 3gkj h SER 95 N 1.02 0.14 0.99 -1.43 4.64 -1.51 -1.78 113.55 115.62 3gkj h SER 95 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3gkj h SER 95 Cb 0.22 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3gkj h SER 95 CO 0.00 0.12 0.00 0.03 -0.87 0.00 0.00 176.83 176.11 3gkj h ARG 96 N 0.17 0.00 -3.44 4.77 3.08 -1.85 -3.36 114.38 113.75 3gkj h ARG 96 Ca 0.04 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.43 3gkj h ARG 96 Cb 0.00 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.67 3gkj h ARG 96 CO -0.01 0.00 -0.51 0.00 -1.07 0.00 0.00 179.97 178.38 3gkj h PRO 98 N 6.67 0.82 -0.57 0.00 0.11 -1.79 -2.07 132.00 135.16 3gkj h PRO 98 Ca -0.04 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 3gkj h PRO 98 Cb 0.91 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.81 3gkj h PRO 98 CO 0.70 0.54 0.25 0.77 -0.21 0.00 0.00 178.00 180.05 3gkj h SER 99 N 0.84 0.77 -0.14 -2.05 0.02 -1.86 0.12 113.55 111.25 3gkj h SER 99 Ca 0.33 -0.15 0.02 0.00 -0.84 0.00 0.00 61.79 61.15 3gkj h SER 99 Cb 0.23 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3gkj h SER 99 CO -0.11 0.71 0.00 0.00 -1.14 0.00 0.00 176.83 176.29 3gkj h PHE 101 N 0.05 0.98 -0.18 0.00 3.57 -1.14 -3.09 116.94 117.13 3gkj h PHE 101 Ca 0.07 -0.12 0.04 0.00 3.53 0.00 0.00 57.97 61.48 3gkj h PHE 101 Cb 0.08 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 3gkj h PHE 101 CO -0.15 0.84 -0.07 -0.92 -2.23 0.00 0.00 178.31 175.79 3gkj h TYR 102 N 0.88 -0.16 -0.55 0.41 3.20 -0.50 0.62 116.97 120.87 3gkj h TYR 102 Ca 0.18 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.00 3gkj h TYR 102 Cb 0.40 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 3gkj h TYR 102 CO 0.03 -0.12 0.07 -0.91 -1.64 0.00 0.00 178.16 175.59 3gkj h ASN 103 N -0.04 0.84 -0.26 -2.11 2.35 -1.49 -0.73 115.58 114.13 3gkj h ASN 103 Ca 0.10 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3gkj h ASN 103 Cb 0.19 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3gkj h ASN 103 CO -0.21 0.86 0.11 0.25 -1.65 0.00 0.00 177.43 176.78 3gkj h LEU 104 N 0.83 0.35 -0.93 1.61 5.85 -1.35 -1.38 115.31 120.30 3gkj h LEU 104 Ca 0.17 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.81 3gkj h LEU 104 Cb 0.40 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 3gkj h LEU 104 CO 0.01 0.41 0.58 0.25 -0.34 0.00 0.00 178.44 179.36 3gkj h LEU 105 N 0.27 0.90 -0.90 2.25 6.46 -0.53 -2.11 115.31 121.65 3gkj h LEU 105 Ca 0.09 0.02 -0.08 0.00 -0.12 0.00 0.00 57.88 57.79 3gkj h LEU 105 Cb 0.17 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 3gkj h LEU 105 CO -0.01 0.55 -0.08 0.78 -0.62 0.00 0.00 178.44 179.07 3gkj h ASN 106 N 1.02 0.71 -0.61 1.25 2.35 -0.59 0.25 115.58 119.96 3gkj h ASN 106 Ca 0.42 -0.19 0.07 0.00 -0.55 0.00 0.00 56.30 56.05 3gkj h ASN 106 Cb 0.25 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.38 3gkj h ASN 106 CO -0.20 0.82 0.30 0.25 -1.65 0.00 0.00 177.43 176.95 3gkj h LEU 107 N 0.67 0.41 -0.20 1.61 5.85 -0.62 -0.79 115.31 122.24 3gkj h LEU 107 Ca 0.12 0.05 -0.22 0.00 0.84 0.00 0.00 57.88 58.66 3gkj h LEU 107 Cb 0.52 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.53 3gkj h LEU 107 CO 0.03 0.26 -0.87 -0.26 -0.34 0.00 0.00 178.44 177.26 3gkj h PHE 108 N 0.55 0.79 -0.60 1.25 0.04 -0.87 -2.80 116.94 115.30 3gkj h PHE 108 Ca 0.29 -0.39 0.02 0.00 2.80 0.00 0.00 57.97 60.68 3gkj h PHE 108 Cb 0.24 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.25 3gkj h PHE 108 CO -0.11 1.20 0.39 0.00 -0.60 0.00 0.00 178.31 179.18 3gkj h GLU 110 N 0.78 0.43 -0.47 0.00 4.39 -1.17 0.14 114.58 118.68 3gkj h GLU 110 Ca 0.23 -0.12 0.03 0.00 0.34 0.00 0.00 59.36 59.83 3gkj h GLU 110 Cb -0.04 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 3gkj h GLU 110 CO -0.07 0.57 0.27 1.25 -1.16 0.00 0.00 179.01 179.87 3gkj h LEU 111 N 0.23 0.43 -0.08 1.33 5.85 -1.35 -2.10 115.31 119.62 3gkj h LEU 111 Ca 0.08 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.64 3gkj h LEU 111 Cb 0.36 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.32 3gkj h LEU 111 CO 0.01 0.30 -0.61 0.74 -0.34 0.00 0.00 178.44 178.54 3gkj h THR 112 N 0.54 1.36 0.00 1.05 2.02 -0.70 -3.42 112.91 113.76 3gkj h THR 112 Ca 0.19 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 65.43 3gkj h THR 112 Cb 0.04 2.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 3gkj h THR 112 CO -0.10 0.58 -0.18 0.00 0.37 0.00 0.00 175.52 176.19 3gkj n SER 114 N -0.80 2.58 0.00 0.00 2.88 -0.79 -0.81 113.62 116.68 3gkj n SER 114 Ca 0.00 1.13 0.08 0.00 -1.33 0.00 0.00 58.87 58.75 3gkj n SER 114 Cb 0.00 -1.38 0.41 0.00 -0.75 0.00 0.00 64.21 62.48 3gkj n SER 114 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3gkj n PRO 115 N 2.37 0.23 -0.73 -1.46 -0.04 -1.26 -2.21 135.00 131.89 3gkj n PRO 115 Ca 0.14 0.13 -0.01 0.00 -0.04 0.00 0.00 63.50 63.72 3gkj n PRO 115 Cb 0.29 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.45 3gkj n PRO 115 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3gkj n ARG 116 N -1.29 1.78 -0.32 0.54 1.85 -1.26 -3.24 116.66 114.72 3gkj n ARG 116 Ca 0.08 -3.20 0.16 0.00 -1.00 0.00 0.00 57.85 53.88 3gkj n ARG 116 Cb 0.13 -1.76 0.32 0.00 -1.05 0.00 0.00 32.46 30.11 3gkj n ARG 116 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 3gkj h GLN 117 N 1.00 0.07 0.00 2.89 4.20 -1.42 -0.58 115.11 121.26 3gkj h GLN 117 Ca 0.15 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 3gkj h GLN 117 Cb 1.46 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.23 3gkj h GLN 117 CO 0.27 0.04 -0.00 0.66 -0.67 0.00 0.00 178.83 179.13 3gkj h SER 118 N 0.07 0.00 0.52 1.46 4.64 -1.51 0.14 113.55 118.86 3gkj h SER 118 Ca 0.61 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.83 3gkj h SER 118 Cb 1.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.39 3gkj h SER 118 CO -0.82 0.00 -0.50 1.56 -0.87 0.00 0.00 176.83 176.20 3gkj h GLN 119 N 0.00 0.00 0.00 4.77 4.20 -1.37 -3.37 115.11 119.34 3gkj h GLN 119 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3gkj h GLN 119 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3gkj h GLN 119 CO 0.00 0.50 0.00 1.97 -0.67 0.00 0.00 178.83 180.63 3gkj n PHE 120 N -3.92 0.00 -4.82 2.96 1.16 -0.41 -0.60 117.46 111.83 3gkj n PHE 120 Ca -0.01 -0.11 -0.25 0.00 -1.87 0.00 0.00 57.45 55.20 3gkj n PHE 120 Cb 0.52 -0.01 -0.15 0.00 -1.61 0.00 0.00 39.48 38.23 3gkj n PHE 120 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3gkj s LEU 121 N -0.23 2.05 -0.07 5.98 1.43 0.36 -0.20 118.68 128.00 3gkj s LEU 121 Ca 0.00 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 3gkj s LEU 121 Cb 0.00 -0.91 0.03 0.00 0.03 0.00 0.00 46.19 45.34 3gkj s LEU 121 CO 0.00 0.21 0.00 -1.58 0.23 0.00 0.00 176.35 175.21 3gkj s GLN 122 N -0.51 0.61 0.18 1.70 0.74 -0.53 -4.59 119.66 117.26 3gkj s GLN 122 Ca 0.07 0.10 -0.30 0.00 0.05 0.00 0.00 55.36 55.28 3gkj s GLN 122 Cb -0.07 -0.96 -0.09 0.00 1.10 0.00 0.00 33.01 32.99 3gkj s GLN 122 CO -0.00 -0.30 1.34 0.08 -0.55 0.00 0.00 175.29 175.86 3gkj s VAL 123 N 1.93 3.19 0.00 1.34 1.01 -1.26 -0.22 120.40 126.39 3gkj s VAL 123 Ca 0.04 0.95 0.00 0.00 0.00 0.00 0.00 61.98 62.97 3gkj s VAL 123 Cb -0.12 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3gkj s VAL 123 CO -0.05 0.13 0.00 0.35 0.00 0.00 0.00 175.10 175.52 3gkj n THR 124 N 2.92 0.00 -3.68 3.92 -2.24 -0.20 -4.89 114.28 110.11 3gkj n THR 124 Ca 0.07 -0.29 -0.14 0.00 -2.27 0.00 0.00 64.05 61.43 3gkj n THR 124 Cb 0.42 0.79 -0.08 0.00 -2.10 0.00 0.00 70.33 69.36 3gkj n THR 124 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gkj s ALA 125 N -1.38 -1.27 0.15 6.98 0.00 -0.93 -4.92 121.76 120.39 3gkj s ALA 125 Ca 0.00 1.24 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 3gkj s ALA 125 Cb 0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 3gkj s ALA 125 CO 0.00 -0.27 0.07 0.95 0.00 0.00 0.00 175.76 176.51 3gkj s THR 126 N -0.23 0.10 0.06 0.00 -4.23 -1.26 -0.30 115.64 109.78 3gkj s THR 126 Ca -0.04 -1.93 -0.18 0.00 -1.18 0.00 0.00 61.69 58.35 3gkj s THR 126 Cb -0.03 -2.14 0.04 0.00 1.34 0.00 0.00 72.50 71.70 3gkj s THR 126 CO 0.03 -0.37 0.43 -1.83 -0.54 0.00 0.00 174.62 172.34 3gkj s GLU 127 N -4.07 0.96 0.46 3.99 -1.05 -0.84 -4.84 118.70 113.32 3gkj s GLU 127 Ca 0.27 -0.41 -0.25 0.00 -0.15 0.00 0.00 54.97 54.44 3gkj s GLU 127 Cb 0.07 0.43 -0.08 0.00 -0.44 0.00 0.00 34.13 34.11 3gkj s GLU 127 CO 0.04 -0.34 1.42 -0.51 0.95 0.00 0.00 175.26 176.82 3gkj s ASP 128 N -2.14 5.84 -0.11 0.83 -0.00 -1.26 -0.23 116.67 119.60 3gkj s ASP 128 Ca -0.04 2.91 0.03 0.00 -0.00 0.00 0.00 52.55 55.45 3gkj s ASP 128 Cb -0.00 -2.65 -0.00 0.00 -0.00 0.00 0.00 42.92 40.26 3gkj s ASP 128 CO -0.04 -1.20 -0.21 -0.47 -0.00 0.00 0.00 175.17 173.25 3gkj s TYR 129 N -1.21 2.63 -0.15 4.23 5.04 0.22 -4.61 117.35 123.50 3gkj s TYR 129 Ca 0.62 -0.92 0.00 0.00 -2.44 0.00 0.00 57.07 54.33 3gkj s TYR 129 Cb -0.43 -1.74 -0.00 0.00 0.35 0.00 0.00 41.96 40.13 3gkj s TYR 129 CO 0.56 -0.35 -0.15 0.14 -1.34 0.00 0.00 175.55 174.41 3gkj s VAL 130 N 0.32 2.72 -0.13 3.14 -7.23 -1.26 0.11 120.40 118.07 3gkj s VAL 130 Ca -0.16 -0.75 -0.29 0.00 -1.81 0.00 0.00 61.98 58.96 3gkj s VAL 130 Cb -0.17 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 3gkj s VAL 130 CO 0.08 0.51 1.50 -0.62 -0.31 0.00 0.00 175.10 176.26 3gkj s ASP 131 N 0.76 6.72 0.46 4.85 2.15 -0.47 -4.91 116.67 126.22 3gkj s ASP 131 Ca -0.06 1.92 0.16 0.00 0.43 0.00 0.00 52.55 55.00 3gkj s ASP 131 Cb -0.15 -2.53 1.11 0.00 -0.30 0.00 0.00 42.92 41.04 3gkj s ASP 131 CO 0.01 -0.92 1.99 1.55 -0.17 0.00 0.00 175.17 177.62 3gkj h PRO 132 N 9.25 0.31 0.12 4.34 0.13 -1.97 0.20 132.00 144.37 3gkj h PRO 132 Ca -0.33 -0.02 -0.30 0.00 -0.87 0.00 0.00 66.00 64.48 3gkj h PRO 132 Cb 1.14 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3gkj h PRO 132 CO 0.97 0.20 -1.57 -0.24 -0.23 0.00 0.00 178.00 177.14 3gkj h VAL 133 N 0.31 0.92 0.00 1.56 3.04 -1.98 -3.40 116.25 116.71 3gkj h VAL 133 Ca 0.27 -2.38 0.00 0.00 -1.01 0.00 0.00 66.70 63.57 3gkj h VAL 133 Cb 0.63 2.64 0.00 0.00 -2.01 0.00 0.00 31.29 32.55 3gkj h VAL 133 CO -0.06 0.73 -1.42 0.35 -1.01 0.00 0.00 177.57 176.16 3gkj n THR 134 N -3.83 0.08 -1.36 3.17 -2.24 -1.20 -4.97 114.28 103.92 3gkj n THR 134 Ca -0.27 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.08 3gkj n THR 134 Cb 0.94 0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 69.41 3gkj n THR 134 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3gkj n ASN 135 N -2.00 -5.71 -4.72 3.42 5.03 0.68 -4.98 115.26 106.98 3gkj n ASN 135 Ca -0.00 0.31 -0.42 0.00 0.87 0.00 0.00 54.58 55.34 3gkj n ASN 135 Cb 0.47 -4.32 -0.03 0.00 -1.02 0.00 0.00 39.78 34.88 3gkj n ASN 135 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3gkj s GLN 136 N -3.06 4.46 -0.02 3.52 -1.52 -1.26 -4.72 119.66 117.06 3gkj s GLN 136 Ca 0.00 1.82 -0.21 0.00 -1.95 0.00 0.00 55.36 55.02 3gkj s GLN 136 Cb 0.00 -3.30 -0.05 0.00 -0.22 0.00 0.00 33.01 29.44 3gkj s GLN 136 CO 0.00 -0.17 0.60 0.99 -0.25 0.00 0.00 175.29 176.45 3gkj s THR 137 N 0.53 4.95 0.04 -0.19 2.01 -1.26 -1.37 115.64 120.34 3gkj s THR 137 Ca 0.56 1.24 0.00 0.00 0.31 0.00 0.00 61.69 63.80 3gkj s THR 137 Cb -0.31 -3.93 -0.00 0.00 0.01 0.00 0.00 72.50 68.26 3gkj s THR 137 CO 0.32 0.39 0.00 0.29 -0.69 0.00 0.00 174.62 174.94 3gkj n LYS 138 N 2.94 1.64 -3.88 4.92 5.02 0.30 -4.95 118.16 124.15 3gkj n LYS 138 Ca -0.06 -0.27 -0.24 0.00 -2.02 0.00 0.00 58.31 55.72 3gkj n LYS 138 Cb 0.51 0.09 -0.17 0.00 -0.02 0.00 0.00 35.03 35.44 3gkj n LYS 138 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3gkj s THR 139 N -1.27 0.64 0.13 -0.18 2.01 -1.26 0.72 115.64 116.41 3gkj s THR 139 Ca 0.00 -0.06 -0.31 0.00 0.31 0.00 0.00 61.69 61.64 3gkj s THR 139 Cb 0.00 -0.73 -0.07 0.00 0.01 0.00 0.00 72.50 71.71 3gkj s THR 139 CO 0.00 0.30 1.28 0.20 -0.69 0.00 0.00 174.62 175.71 3gkj s ASN 140 N 1.74 6.96 -0.63 3.53 0.01 0.68 -0.12 114.94 127.11 3gkj s ASN 140 Ca 0.03 2.23 -0.28 0.00 -0.71 0.00 0.00 52.86 54.13 3gkj s ASN 140 Cb -0.13 -2.59 0.03 0.00 0.41 0.00 0.00 41.25 38.97 3gkj s ASN 140 CO -0.06 -0.52 1.23 -0.69 -1.51 0.00 0.00 177.10 175.55 3gkj s VAL 141 N 0.68 3.91 0.03 1.60 1.01 -0.13 -1.98 120.40 125.53 3gkj s VAL 141 Ca 0.59 0.74 -0.06 0.00 0.00 0.00 0.00 61.98 63.25 3gkj s VAL 141 Cb -0.34 -4.77 -0.29 0.00 0.00 0.00 0.00 36.38 30.97 3gkj s VAL 141 CO 0.33 -1.50 0.96 0.50 0.00 0.00 0.00 175.10 175.40 3gkj h LYS 142 N 9.78 0.31 -2.59 2.72 3.64 -0.98 -3.39 116.57 126.06 3gkj h LYS 142 Ca -0.26 -0.53 -0.09 0.00 -1.27 0.00 0.00 60.65 58.50 3gkj h LYS 142 Cb 1.06 0.20 -0.19 0.00 -0.41 0.00 0.00 32.23 32.88 3gkj h LYS 142 CO 1.22 1.21 -0.06 -2.00 -2.27 0.00 0.00 179.45 177.55 3gkj s GLU 143 N -2.63 0.85 0.16 1.90 2.12 -0.98 -4.15 118.70 115.98 3gkj s GLU 143 Ca -0.08 -0.01 -0.10 0.00 0.36 0.00 0.00 54.97 55.15 3gkj s GLU 143 Cb 0.06 0.39 -0.00 0.00 0.26 0.00 0.00 34.13 34.84 3gkj s GLU 143 CO 0.88 -0.26 0.30 -0.48 -0.54 0.00 0.00 175.26 175.16 3gkj s LEU 144 N -1.32 0.91 -0.11 2.70 2.34 -1.20 -1.03 118.68 120.98 3gkj s LEU 144 Ca -0.12 -0.82 -0.02 0.00 0.06 0.00 0.00 54.13 53.23 3gkj s LEU 144 Cb -0.03 1.26 -0.03 0.00 -0.56 0.00 0.00 46.19 46.84 3gkj s LEU 144 CO 0.06 -0.90 -0.03 -1.58 -1.06 0.00 0.00 176.35 172.85 3gkj s GLN 145 N -3.95 3.22 -0.19 1.48 0.74 0.70 -0.99 119.66 120.67 3gkj s GLN 145 Ca 0.16 -0.47 0.01 0.00 0.05 0.00 0.00 55.36 55.10 3gkj s GLN 145 Cb 0.03 -2.81 0.03 0.00 1.10 0.00 0.00 33.01 31.36 3gkj s GLN 145 CO -0.01 0.51 -0.16 -0.47 -0.55 0.00 0.00 175.29 174.61 3gkj s TYR 146 N -0.37 2.73 -0.52 1.67 6.14 -0.28 -1.46 117.35 125.26 3gkj s TYR 146 Ca 0.06 -1.69 -0.24 0.00 0.64 0.00 0.00 57.07 55.85 3gkj s TYR 146 Cb -0.12 -1.84 0.04 0.00 0.42 0.00 0.00 41.96 40.46 3gkj s TYR 146 CO 0.02 -0.79 0.88 0.71 0.64 0.00 0.00 175.55 177.01 3gkj s TYR 147 N 1.30 2.87 -0.13 4.97 2.02 0.72 -0.88 117.35 128.22 3gkj s TYR 147 Ca 0.02 0.01 -0.02 0.00 -0.37 0.00 0.00 57.07 56.70 3gkj s TYR 147 Cb -0.15 -3.93 -0.03 0.00 -0.40 0.00 0.00 41.96 37.46 3gkj s TYR 147 CO -0.11 -1.22 -0.05 0.08 -1.57 0.00 0.00 175.55 172.68 3gkj s VAL 148 N 3.67 3.81 0.29 0.71 1.01 0.49 -0.94 120.40 129.44 3gkj s VAL 148 Ca 0.29 -0.40 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 3gkj s VAL 148 Cb -0.13 -2.64 -0.13 0.00 0.00 0.00 0.00 36.38 33.48 3gkj s VAL 148 CO 0.20 0.52 1.27 0.61 0.00 0.00 0.00 175.10 177.70 3gkj n GLY 149 N 3.19 0.47 0.17 4.51 0.00 0.12 -1.73 105.19 111.91 3gkj n GLY 149 Ca -0.18 0.39 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 3gkj n GLY 149 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3gkj h GLN 150 N 3.02 0.52 -0.81 1.61 4.15 -1.81 -0.66 115.11 121.14 3gkj h GLN 150 Ca -0.44 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 58.86 3gkj h GLN 150 Cb 1.29 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.85 3gkj h GLN 150 CO 0.67 0.47 0.34 0.77 -1.93 0.00 0.00 178.83 179.15 3gkj h SER 151 N 0.45 1.10 -0.09 -0.69 0.02 -1.90 -1.22 113.55 111.22 3gkj h SER 151 Ca 0.12 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3gkj h SER 151 Cb 0.12 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 3gkj h SER 151 CO -0.02 0.96 0.05 0.15 -1.14 0.00 0.00 176.83 176.84 3gkj h PHE 152 N 1.18 0.12 -0.64 3.45 3.04 -1.82 -0.27 116.94 121.99 3gkj h PHE 152 Ca 0.27 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.22 3gkj h PHE 152 Cb 0.19 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 38.63 3gkj h PHE 152 CO 0.02 0.13 0.38 0.00 -2.02 0.00 0.00 178.31 176.82 3gkj h ALA 153 N 0.97 0.82 -0.62 2.41 0.00 -0.83 0.34 119.26 122.36 3gkj h ALA 153 Ca 0.03 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3gkj h ALA 153 Cb 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3gkj h ALA 153 CO -0.01 0.30 0.03 -0.91 0.00 0.00 0.00 179.25 178.66 3gkj h ASN 154 N 0.87 1.05 -0.18 0.00 -0.26 -1.07 -1.82 115.58 114.17 3gkj h ASN 154 Ca 0.23 -0.28 -0.13 0.00 -0.56 0.00 0.00 56.30 55.55 3gkj h ASN 154 Cb -0.01 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 36.96 3gkj h ASN 154 CO -0.04 1.08 -0.36 0.00 -1.06 0.00 0.00 177.43 177.05 3gkj h ALA 155 N 1.03 0.79 -0.55 -0.83 0.00 -0.63 0.52 119.26 119.59 3gkj h ALA 155 Ca 0.18 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3gkj h ALA 155 Cb 0.53 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3gkj h ALA 155 CO 0.03 0.65 0.33 1.98 0.00 0.00 0.00 179.25 182.24 3gkj h MET 156 N 0.58 0.75 -0.23 0.00 1.85 -0.77 -0.70 114.93 116.42 3gkj h MET 156 Ca 0.06 -0.07 -0.03 0.00 -0.61 0.00 0.00 59.70 59.04 3gkj h MET 156 Cb 0.88 -0.16 -0.01 0.00 0.43 0.00 0.00 31.60 32.75 3gkj h MET 156 CO 0.08 0.54 0.01 -0.92 -0.40 0.00 0.00 176.91 176.22 3gkj h TYR 157 N 0.75 0.43 -0.99 1.39 3.20 -1.18 -2.98 116.97 117.58 3gkj h TYR 157 Ca 0.20 -0.07 0.05 0.00 3.14 0.00 0.00 58.73 62.05 3gkj h TYR 157 Cb -0.02 -0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.08 3gkj h TYR 157 CO -0.02 0.57 0.65 -0.97 -1.64 0.00 0.00 178.16 176.74 3gkj h ASN 158 N 0.17 1.05 1.13 -2.11 -0.73 -0.70 0.11 115.58 114.50 3gkj h ASN 158 Ca 0.07 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.24 3gkj h ASN 158 Cb 0.39 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 38.75 3gkj h ASN 158 CO 0.01 0.69 0.00 0.00 -0.37 0.00 0.00 177.43 177.76 3gkj h ALA 159 N 1.44 1.00 0.00 1.57 0.00 -1.04 -3.28 119.26 118.95 3gkj h ALA 159 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3gkj h ALA 159 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3gkj h ALA 159 CO -0.15 0.00 -0.87 0.00 0.00 0.00 0.00 179.25 178.23 3gkj h ARG 161 N 0.00 0.00 -0.02 0.00 0.11 -0.92 -2.26 114.38 111.29 3gkj h ARG 161 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3gkj h ARG 161 Cb 0.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.44 3gkj h ARG 161 CO 0.00 0.00 -0.30 -0.25 0.10 0.00 0.00 179.97 179.52 3gkj n ASP 162 N -2.60 2.01 -4.71 0.08 8.00 -1.26 -4.91 116.55 113.17 3gkj n ASP 162 Ca 0.01 -1.51 -0.42 0.00 0.71 0.00 0.00 54.79 53.58 3gkj n ASP 162 Cb 0.23 0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 41.66 3gkj n ASP 162 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gkj s VAL 163 N -2.03 2.71 0.17 2.53 1.01 -0.85 -4.28 120.40 119.66 3gkj s VAL 163 Ca 0.17 0.39 -0.18 0.00 0.00 0.00 0.00 61.98 62.36 3gkj s VAL 163 Cb 0.16 -3.25 -0.08 0.00 0.00 0.00 0.00 36.38 33.21 3gkj s VAL 163 CO 0.42 0.02 0.65 -1.61 0.00 0.00 0.00 175.10 174.57 3gkj s GLU 164 N 1.84 4.18 0.30 2.72 2.02 -1.26 -0.22 118.70 128.28 3gkj s GLU 164 Ca 0.73 0.75 -0.30 0.00 0.02 0.00 0.00 54.97 56.17 3gkj s GLU 164 Cb -0.43 -2.99 -0.12 0.00 0.10 0.00 0.00 34.13 30.69 3gkj s GLU 164 CO 0.32 0.48 1.57 0.00 0.02 0.00 0.00 175.26 177.66 3gkj n ALA 165 N 1.00 2.46 -1.59 5.21 0.00 -0.13 -4.56 120.51 122.90 3gkj n ALA 165 Ca -0.05 0.37 -0.48 0.00 0.00 0.00 0.00 53.44 53.28 3gkj n ALA 165 Cb 0.51 -2.45 -0.04 0.00 0.00 0.00 0.00 19.45 17.48 3gkj n ALA 165 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3gkj n PRO 166 N 1.93 1.28 -4.00 0.00 -0.02 -1.26 -2.00 135.00 130.93 3gkj n PRO 166 Ca 0.08 0.45 -0.27 0.00 -2.02 0.00 0.00 63.50 61.75 3gkj n PRO 166 Cb 0.37 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 3gkj n PRO 166 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3gkj n SER 167 N 1.92 -0.47 -3.70 2.55 3.41 -1.26 -4.98 113.62 111.08 3gkj n SER 167 Ca 0.14 -1.03 -0.12 0.00 -0.26 0.00 0.00 58.87 57.60 3gkj n SER 167 Cb 0.26 -2.92 -0.05 0.00 -0.26 0.00 0.00 64.21 61.24 3gkj n SER 167 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3gkj s SER 168 N -4.28 0.36 -0.24 4.04 0.01 -0.84 -5.05 113.70 107.70 3gkj s SER 168 Ca 0.07 -1.23 0.12 0.00 1.31 0.00 0.00 55.95 56.21 3gkj s SER 168 Cb -0.04 0.59 0.47 0.00 0.21 0.00 0.00 66.02 67.26 3gkj s SER 168 CO 0.90 -1.17 1.38 0.59 0.41 0.00 0.00 173.24 175.35 3gkj n ASN 169 N -0.81 2.55 -4.66 2.44 3.02 -1.26 -4.70 115.26 111.83 3gkj n ASN 169 Ca -0.00 -3.61 -0.23 0.00 -0.03 0.00 0.00 54.58 50.71 3gkj n ASN 169 Cb 0.62 -0.58 -0.07 0.00 -0.61 0.00 0.00 39.78 39.14 3gkj n ASN 169 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3gkj s ASP 170 N -2.61 4.57 0.03 6.41 3.68 -1.26 -5.03 116.67 122.47 3gkj s ASP 170 Ca 0.42 -0.66 -0.24 0.00 2.13 0.00 0.00 52.55 54.20 3gkj s ASP 170 Cb 0.38 -0.84 -0.06 0.00 -1.45 0.00 0.00 42.92 40.95 3gkj s ASP 170 CO 0.00 -0.04 0.71 -0.54 0.13 0.00 0.00 175.17 175.44 3gkj s LYS 171 N -3.70 4.44 0.44 4.34 -0.14 -1.26 -0.96 119.74 122.90 3gkj s LYS 171 Ca 0.32 0.96 0.13 0.00 -1.36 0.00 0.00 55.97 56.03 3gkj s LYS 171 Cb -0.06 -3.35 1.04 0.00 -1.68 0.00 0.00 37.83 33.78 3gkj s LYS 171 CO 0.20 0.32 2.02 0.00 -0.76 0.00 0.00 175.35 177.13 3gkj h ALA 172 N 5.59 1.98 0.00 5.17 0.00 -0.84 -1.23 119.26 129.93 3gkj h ALA 172 Ca -0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3gkj h ALA 172 Cb 1.20 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3gkj h ALA 172 CO 0.70 -0.07 -0.02 -0.07 0.00 0.00 0.00 179.25 179.79 3gkj h LEU 173 N 0.37 0.00 -0.87 0.00 3.38 -1.84 -0.62 115.31 115.74 3gkj h LEU 173 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3gkj h LEU 173 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3gkj h LEU 173 CO -0.05 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.11 3gkj n GLY 174 N -1.32 -0.73 0.02 0.83 0.00 -0.46 -1.81 105.19 101.71 3gkj n GLY 174 Ca -0.03 0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.17 3gkj n GLY 174 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gkj n LEU 175 N -1.96 0.66 -0.17 0.99 4.77 -0.24 -4.53 117.00 116.51 3gkj n LEU 175 Ca -0.01 -0.52 0.02 0.00 -0.03 0.00 0.00 56.01 55.47 3gkj n LEU 175 Cb 0.03 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.16 3gkj n LEU 175 CO 0.06 0.16 0.54 0.18 -1.33 0.00 0.00 177.39 177.00 3gkj n LEU 176 N -1.22 2.26 0.00 2.23 4.77 -0.75 -4.73 117.00 119.55 3gkj n LEU 176 Ca 0.03 -2.01 0.00 0.00 -0.03 0.00 0.00 56.01 54.00 3gkj n LEU 176 Cb 0.21 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3gkj n LEU 176 CO 0.25 0.56 0.13 0.00 -1.33 0.00 0.00 177.39 177.01 3gkj n GLY 178 N 0.37 1.28 3.72 0.00 0.00 -1.26 -4.85 105.19 104.46 3gkj n GLY 178 Ca 0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 46.02 45.59 3gkj n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gkj s LYS 179 N -2.94 1.34 0.79 1.61 -2.85 -1.26 -5.15 119.74 111.27 3gkj s LYS 179 Ca 0.00 -0.70 -0.11 0.00 -1.00 0.00 0.00 55.97 54.16 3gkj s LYS 179 Cb 0.00 0.48 0.07 0.00 -2.06 0.00 0.00 37.83 36.32 3gkj s LYS 179 CO 0.00 -0.61 1.11 -0.51 0.10 0.00 0.00 175.35 175.44 3gkj s ASP 180 N -2.86 4.26 0.46 0.03 1.01 -1.26 -4.51 116.67 113.80 3gkj s ASP 180 Ca 0.10 1.91 0.12 0.00 0.71 0.00 0.00 52.55 55.39 3gkj s ASP 180 Cb -0.03 -2.53 1.04 0.00 1.01 0.00 0.00 42.92 42.41 3gkj s ASP 180 CO 0.01 -2.20 2.07 0.00 0.21 0.00 0.00 175.17 175.26 3gkj h ALA 181 N -1.15 1.80 0.00 5.23 0.00 -1.85 -0.80 119.26 122.49 3gkj h ALA 181 Ca -0.44 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3gkj h ALA 181 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3gkj h ALA 181 CO 0.50 0.16 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 3gkj n ASP 182 N -4.45 0.12 -0.00 0.00 5.68 -1.26 -2.37 116.55 114.26 3gkj n ASP 182 Ca -0.01 0.53 0.06 0.00 -0.50 0.00 0.00 54.79 54.87 3gkj n ASP 182 Cb 0.13 -0.55 -0.08 0.00 -1.14 0.00 0.00 41.12 39.47 3gkj n ASP 182 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gkj n ALA 183 N -1.55 2.97 -2.31 2.12 0.00 -0.37 -4.99 120.51 116.38 3gkj n ALA 183 Ca 0.03 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 3gkj n ALA 183 Cb 0.19 -0.43 -0.03 0.00 0.00 0.00 0.00 19.45 19.17 3gkj n ALA 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gkj s GLN 185 N 1.03 1.27 0.19 0.00 -0.21 -1.26 -5.00 119.66 115.69 3gkj s GLN 185 Ca 0.61 -1.63 -0.15 0.00 0.02 0.00 0.00 55.36 54.21 3gkj s GLN 185 Cb -0.32 -0.56 0.18 0.00 1.00 0.00 0.00 33.01 33.30 3gkj s GLN 185 CO 0.30 -0.08 1.64 0.00 -2.12 0.00 0.00 175.29 175.03 3gkj h ALA 186 N 2.54 0.36 0.08 6.09 0.00 -1.96 -0.29 119.26 126.08 3gkj h ALA 186 Ca -0.38 0.21 -0.25 0.00 0.00 0.00 0.00 54.91 54.49 3gkj h ALA 186 Cb 1.22 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 3gkj h ALA 186 CO 0.64 -0.44 -1.18 1.79 0.00 0.00 0.00 179.25 180.06 3gkj h THR 187 N -0.00 1.54 0.00 0.00 1.35 -1.98 -2.96 112.91 110.86 3gkj h THR 187 Ca 0.26 -3.17 -0.04 0.00 -0.55 0.00 0.00 66.41 62.91 3gkj h THR 187 Cb 0.40 2.89 -0.01 0.00 -1.73 0.00 0.00 68.15 69.70 3gkj h THR 187 CO -0.56 0.91 -0.18 -0.55 -0.25 0.00 0.00 175.52 174.88 3gkj h ASN 188 N 0.04 0.00 0.10 5.36 7.08 -1.88 -0.61 115.58 125.68 3gkj h ASN 188 Ca -0.10 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.12 3gkj h ASN 188 Cb 1.90 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.14 3gkj h ASN 188 CO 0.17 0.18 -0.05 -0.25 -2.08 0.00 0.00 177.43 175.41 3gkj h TRP 189 N 0.00 -0.12 -0.48 4.14 7.01 -1.02 -0.61 115.95 124.87 3gkj h TRP 189 Ca -0.00 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 3gkj h TRP 189 Cb 0.90 0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.98 3gkj h TRP 189 CO 0.00 0.23 0.18 0.82 -2.79 0.00 0.00 178.44 176.88 3gkj h ILE 190 N -0.49 1.21 -0.88 2.65 2.04 -1.45 -1.20 117.51 119.39 3gkj h ILE 190 Ca -0.01 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 65.21 3gkj h ILE 190 Cb 0.41 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 3gkj h ILE 190 CO 0.02 0.25 0.56 -0.08 0.00 0.00 0.00 178.15 178.90 3gkj h GLU 191 N 0.63 1.05 -0.14 2.37 4.22 -1.10 -1.59 114.58 120.02 3gkj h GLU 191 Ca 0.16 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.52 3gkj h GLU 191 Cb 0.21 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3gkj h GLU 191 CO -0.01 0.69 0.04 -0.92 -2.18 0.00 0.00 179.01 176.64 3gkj h TYR 192 N 1.08 0.23 -0.42 0.92 3.20 -0.68 -2.78 116.97 118.52 3gkj h TYR 192 Ca 0.35 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.21 3gkj h TYR 192 Cb 0.03 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 3gkj h TYR 192 CO -0.02 0.34 0.28 0.52 -1.64 0.00 0.00 178.16 177.64 3gkj h MET 193 N 0.05 0.55 -0.11 1.82 2.86 -0.97 -1.86 114.93 117.27 3gkj h MET 193 Ca 0.05 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3gkj h MET 193 Cb 0.22 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3gkj h MET 193 CO -0.00 0.36 0.00 1.19 1.06 0.00 0.00 176.91 179.52 3gkj n PHE 194 N -4.47 0.14 -3.40 -0.22 3.72 -0.62 -4.53 117.46 108.07 3gkj n PHE 194 Ca 0.03 -0.07 -0.39 0.00 -0.05 0.00 0.00 57.45 56.97 3gkj n PHE 194 Cb 0.06 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.51 3gkj n PHE 194 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3gkj s ASN 195 N -1.63 6.25 0.29 4.37 3.84 -0.70 -1.15 114.94 126.21 3gkj s ASN 195 Ca 0.33 0.29 0.22 0.00 0.21 0.00 0.00 52.86 53.91 3gkj s ASN 195 Cb 0.17 -2.21 1.09 0.00 -0.55 0.00 0.00 41.25 39.75 3gkj s ASN 195 CO 0.27 -0.17 1.67 2.29 -2.79 0.00 0.00 177.10 178.37 3gkj n LYS 196 N 5.24 0.16 0.18 0.43 -0.00 -1.26 -1.21 118.16 121.70 3gkj n LYS 196 Ca -0.09 0.55 0.13 0.00 -0.00 0.00 0.00 58.31 58.91 3gkj n LYS 196 Cb 0.51 -1.92 0.66 0.00 -0.00 0.00 0.00 35.03 34.27 3gkj n LYS 196 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3gkj h ASP 197 N 0.00 0.00 0.67 -5.58 3.32 -1.92 -1.59 116.42 111.32 3gkj h ASP 197 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gkj h ASP 197 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3gkj h ASP 197 CO 0.00 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.06 3gkj n ASN 198 N -2.40 0.00 0.00 6.45 0.23 -0.35 -4.89 115.26 114.29 3gkj n ASN 198 Ca -0.01 0.38 0.00 0.00 -0.53 0.00 0.00 54.58 54.42 3gkj n ASN 198 Cb 0.10 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.35 3gkj n ASN 198 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gkj n GLY 199 N 0.70 0.96 0.68 4.83 0.00 -0.60 -4.81 105.19 106.95 3gkj n GLY 199 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 3gkj n GLY 199 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3gkj n GLN 200 N -2.05 0.18 -1.87 1.61 -0.06 -1.26 -4.99 117.38 108.94 3gkj n GLN 200 Ca 0.00 0.07 -0.42 0.00 -2.00 0.00 0.00 57.00 54.65 3gkj n GLN 200 Cb 0.00 -0.83 -0.03 0.00 -4.06 0.00 0.00 30.24 25.32 3gkj n GLN 200 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3gkj s ALA 201 N -2.15 3.81 0.14 1.69 0.00 -1.26 -4.88 121.76 119.11 3gkj s ALA 201 Ca -0.12 1.42 0.25 0.00 0.00 0.00 0.00 51.96 53.51 3gkj s ALA 201 Cb 0.04 -3.66 0.99 0.00 0.00 0.00 0.00 23.12 20.49 3gkj s ALA 201 CO 0.15 -0.87 1.85 -1.00 0.00 0.00 0.00 175.76 175.89 3gkj h PRO 202 N 7.04 0.00 -3.08 0.00 0.13 -1.92 -3.39 132.00 130.77 3gkj h PRO 202 Ca -0.43 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 3gkj h PRO 202 Cb 1.20 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 3gkj h PRO 202 CO 0.93 0.19 0.15 -0.59 -0.23 0.00 0.00 178.00 178.45 3gkj s PHE 203 N -3.67 -0.47 0.09 1.56 -0.12 -1.26 -4.65 117.98 109.47 3gkj s PHE 203 Ca 0.01 0.24 -0.26 0.00 -0.05 0.00 0.00 56.93 56.87 3gkj s PHE 203 Cb 0.10 0.50 -0.06 0.00 -0.63 0.00 0.00 43.02 42.92 3gkj s PHE 203 CO 0.62 -0.82 0.79 0.99 -0.05 0.00 0.00 175.22 176.75 3gkj s THR 204 N -3.76 4.58 -0.15 -4.49 2.01 -1.26 -4.36 115.64 108.20 3gkj s THR 204 Ca 0.01 1.70 0.01 0.00 0.31 0.00 0.00 61.69 63.72 3gkj s THR 204 Cb -0.00 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.37 3gkj s THR 204 CO -0.13 0.42 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.41 3gkj s ILE 205 N -0.45 2.43 -0.36 1.82 1.09 -0.30 -3.22 121.20 122.20 3gkj s ILE 205 Ca 0.38 -0.85 -0.15 0.00 -1.10 0.00 0.00 60.65 58.93 3gkj s ILE 205 Cb -0.22 -2.01 -0.00 0.00 -1.06 0.00 0.00 42.46 39.17 3gkj s ILE 205 CO 0.25 0.53 0.36 0.42 -0.10 0.00 0.00 174.94 176.39 3gkj s THR 206 N 0.88 5.17 0.25 2.92 -4.23 -0.16 -4.62 115.64 115.85 3gkj s THR 206 Ca -0.05 -0.11 -0.22 0.00 -1.18 0.00 0.00 61.69 60.14 3gkj s THR 206 Cb -0.15 -3.86 -0.09 0.00 1.34 0.00 0.00 72.50 69.74 3gkj s THR 206 CO -0.02 -0.16 0.78 -2.16 -0.54 0.00 0.00 174.62 172.52 3gkj s PRO 207 N 1.98 4.35 -0.11 3.99 0.04 -1.26 -1.13 135.00 142.86 3gkj s PRO 207 Ca 0.11 1.00 0.03 0.00 0.04 0.00 0.00 61.00 62.17 3gkj s PRO 207 Cb -0.17 -2.87 0.01 0.00 0.04 0.00 0.00 34.50 31.51 3gkj s PRO 207 CO 0.12 0.37 -0.19 0.08 0.04 0.00 0.00 177.00 177.41 3gkj s VAL 208 N -1.53 1.79 -0.20 -0.36 1.01 -0.06 -4.90 120.40 116.15 3gkj s VAL 208 Ca 0.45 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 3gkj s VAL 208 Cb -0.17 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3gkj s VAL 208 CO 0.22 0.50 -0.02 -0.36 0.00 0.00 0.00 175.10 175.44 3gkj s PHE 209 N 0.71 3.00 -0.27 5.22 0.40 -1.26 -0.38 117.98 125.41 3gkj s PHE 209 Ca -0.11 -0.58 -0.23 0.00 -0.60 0.00 0.00 56.93 55.42 3gkj s PHE 209 Cb -0.16 -2.07 0.08 0.00 0.51 0.00 0.00 43.02 41.37 3gkj s PHE 209 CO 0.02 -0.31 0.74 0.45 0.70 0.00 0.00 175.22 176.83 3gkj s SER 210 N 1.07 -0.77 0.00 1.36 0.15 -0.71 -4.75 113.70 110.05 3gkj s SER 210 Ca 0.02 1.41 0.25 0.00 0.70 0.00 0.00 55.95 58.32 3gkj s SER 210 Cb -0.14 1.40 0.90 0.00 -1.71 0.00 0.00 66.02 66.46 3gkj s SER 210 CO 0.01 -0.24 1.65 0.47 1.20 0.00 0.00 173.24 176.33 3gkj n ASP 211 N 3.06 1.64 -4.34 5.45 8.00 -1.26 -2.72 116.55 126.38 3gkj n ASP 211 Ca -0.15 -1.61 -0.28 0.00 0.71 0.00 0.00 54.79 53.46 3gkj n ASP 211 Cb 0.56 -0.05 -0.13 0.00 -0.02 0.00 0.00 41.12 41.48 3gkj n ASP 211 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3gkj s PHE 212 N -1.90 2.15 0.71 1.24 0.08 -1.26 -4.98 117.98 114.01 3gkj s PHE 212 Ca 0.35 -0.39 -0.16 0.00 0.12 0.00 0.00 56.93 56.85 3gkj s PHE 212 Cb 0.20 -1.21 0.01 0.00 -0.57 0.00 0.00 43.02 41.44 3gkj s PHE 212 CO 0.30 0.23 1.05 -2.30 -0.10 0.00 0.00 175.22 174.40 3gkj n PRO 213 N 1.27 0.61 -3.76 0.24 -0.02 -1.26 -4.63 135.00 127.45 3gkj n PRO 213 Ca -0.18 0.26 -0.29 0.00 -2.02 0.00 0.00 63.50 61.28 3gkj n PRO 213 Cb 0.53 -2.29 -0.16 0.00 -0.02 0.00 0.00 33.50 31.56 3gkj n PRO 213 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gkj s VAL 214 N -1.75 0.75 -1.52 -1.45 1.01 -0.22 -4.80 120.40 112.42 3gkj s VAL 214 Ca 0.75 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 3gkj s VAL 214 Cb -0.35 -1.31 0.07 0.00 0.00 0.00 0.00 36.38 34.78 3gkj s VAL 214 CO 0.48 -0.33 0.70 1.41 0.00 0.00 0.00 175.10 177.36 3gkj n HIS 215 N 4.95 -1.86 0.00 5.22 8.25 -1.26 -0.63 115.22 129.89 3gkj n HIS 215 Ca -0.07 0.81 0.00 0.00 -0.26 0.00 0.00 57.72 58.20 3gkj n HIS 215 Cb 0.45 -3.63 0.00 0.00 1.12 0.00 0.00 29.99 27.93 3gkj n HIS 215 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gkj n GLY 216 N -1.69 2.38 3.74 -1.41 0.00 -1.26 -5.02 105.19 101.93 3gkj n GLY 216 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 3gkj n GLY 216 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gkj s MET 217 N -0.33 4.71 -0.40 1.61 -1.94 0.20 -5.03 119.30 118.13 3gkj s MET 217 Ca 0.00 1.58 -0.07 0.00 -1.71 0.00 0.00 55.69 55.49 3gkj s MET 217 Cb 0.00 -3.30 0.08 0.00 2.01 0.00 0.00 34.83 33.62 3gkj s MET 217 CO 0.00 0.27 0.21 -1.21 -0.01 0.00 0.00 175.02 174.28 3gkj s GLU 218 N -0.64 2.49 0.62 2.03 2.02 0.23 -1.06 118.70 124.40 3gkj s GLU 218 Ca 0.45 -1.47 -0.19 0.00 0.02 0.00 0.00 54.97 53.79 3gkj s GLU 218 Cb -0.27 -3.66 -0.02 0.00 0.10 0.00 0.00 34.13 30.28 3gkj s GLU 218 CO 0.33 -0.91 1.21 -2.30 0.02 0.00 0.00 175.26 173.61 3gkj n PRO 219 N 4.82 1.12 -2.05 0.39 -0.02 -1.26 -4.13 135.00 133.87 3gkj n PRO 219 Ca -0.09 0.43 -0.43 0.00 -2.02 0.00 0.00 63.50 61.39 3gkj n PRO 219 Cb 0.43 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 3gkj n PRO 219 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3gkj s MET 220 N -3.15 3.62 -0.37 -0.52 1.75 -0.12 -4.65 119.30 115.86 3gkj s MET 220 Ca 0.80 1.59 0.13 0.00 -1.25 0.00 0.00 55.69 56.95 3gkj s MET 220 Cb -0.39 -4.11 0.44 0.00 2.84 0.00 0.00 34.83 33.61 3gkj s MET 220 CO 0.43 -1.52 1.00 -1.71 -0.65 0.00 0.00 175.02 172.57 3gkj n ASN 221 N 9.17 2.69 -4.70 1.11 2.85 -1.26 0.14 115.26 125.26 3gkj n ASN 221 Ca 0.20 -3.12 -0.37 0.00 -0.11 0.00 0.00 54.58 51.19 3gkj n ASN 221 Cb 0.46 -0.51 0.07 0.00 1.24 0.00 0.00 39.78 41.04 3gkj n ASN 221 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3gkj n ASN 222 N -0.20 1.70 -4.66 1.20 4.13 -1.26 -4.93 115.26 111.24 3gkj n ASN 222 Ca 0.21 0.80 -0.39 0.00 1.68 0.00 0.00 54.58 56.89 3gkj n ASN 222 Cb 0.74 -1.52 0.04 0.00 -1.54 0.00 0.00 39.78 37.50 3gkj n ASN 222 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gkj n ALA 223 N -1.99 0.71 -2.36 5.41 0.00 -1.26 -4.82 120.51 116.20 3gkj n ALA 223 Ca 0.15 0.12 -0.19 0.00 0.00 0.00 0.00 53.44 53.52 3gkj n ALA 223 Cb 0.48 -2.19 -0.10 0.00 0.00 0.00 0.00 19.45 17.64 3gkj n ALA 223 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gkj s THR 224 N -1.36 1.71 -0.11 0.00 -4.23 -1.26 -5.04 115.64 105.35 3gkj s THR 224 Ca 0.70 -2.20 -0.01 0.00 -1.18 0.00 0.00 61.69 59.01 3gkj s THR 224 Cb -0.46 -2.13 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 3gkj s THR 224 CO 0.51 -0.53 -0.09 -0.54 -0.54 0.00 0.00 174.62 173.43 3gkj s LYS 225 N -3.66 3.22 0.73 3.99 -0.14 -1.26 -5.13 119.74 117.49 3gkj s LYS 225 Ca 0.24 -0.60 -0.12 0.00 -1.36 0.00 0.00 55.97 54.13 3gkj s LYS 225 Cb 0.00 -2.68 0.03 0.00 -1.68 0.00 0.00 37.83 33.50 3gkj s LYS 225 CO 0.08 0.38 1.12 0.20 -0.76 0.00 0.00 175.35 176.37 3gkj s GLY 226 N -0.05 1.62 0.25 -3.33 0.00 -1.26 -4.70 107.32 99.85 3gkj s GLY 226 Ca -0.01 -0.42 0.22 0.00 0.00 0.00 0.00 44.72 44.52 3gkj s GLY 226 CO 0.03 -0.02 1.68 0.00 0.00 0.00 0.00 173.10 174.79 3gkj n ASP 228 N -2.19 1.16 -4.71 0.00 3.85 -1.26 -1.10 116.55 112.30 3gkj n ASP 228 Ca 0.02 -1.29 -0.29 0.00 -0.71 0.00 0.00 54.79 52.51 3gkj n ASP 228 Cb 0.19 0.01 -0.07 0.00 -1.35 0.00 0.00 41.12 39.90 3gkj n ASP 228 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 3gkj s GLU 229 N -2.10 2.61 0.25 0.11 2.02 -0.59 -4.78 118.70 116.23 3gkj s GLU 229 Ca 0.37 -0.86 -0.30 0.00 0.02 0.00 0.00 54.97 54.21 3gkj s GLU 229 Cb 0.21 -2.55 -0.09 0.00 0.10 0.00 0.00 34.13 31.79 3gkj s GLU 229 CO 0.37 0.53 1.08 -1.12 0.02 0.00 0.00 175.26 176.14 3gkj s SER 230 N -2.48 7.32 0.13 -0.19 0.01 -1.26 -4.04 113.70 113.18 3gkj s SER 230 Ca 0.27 2.19 -0.13 0.00 1.31 0.00 0.00 55.95 59.60 3gkj s SER 230 Cb -0.11 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.45 3gkj s SER 230 CO 0.19 -0.12 1.47 0.58 0.41 0.00 0.00 173.24 175.77 3gkj h VAL 231 N 3.24 1.28 -2.24 3.43 2.07 -1.75 -3.48 116.25 118.80 3gkj h VAL 231 Ca -0.46 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 65.58 3gkj h VAL 231 Cb 1.21 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 3gkj h VAL 231 CO 0.68 0.48 0.03 -0.90 0.02 0.00 0.00 177.57 177.89 3gkj n ASP 232 N -4.17 -0.39 0.28 0.57 5.68 -1.25 -5.01 116.55 112.26 3gkj n ASP 232 Ca -0.02 -1.32 0.15 0.00 -0.50 0.00 0.00 54.79 53.10 3gkj n ASP 232 Cb 0.49 0.67 0.84 0.00 -1.14 0.00 0.00 41.12 41.97 3gkj n ASP 232 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3gkj h GLU 233 N 0.00 0.00 -0.31 0.11 3.07 -2.03 -2.53 114.58 112.89 3gkj h GLU 233 Ca -0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3gkj h GLU 233 Cb 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 3gkj h GLU 233 CO 0.08 0.07 0.00 1.33 -1.40 0.00 0.00 179.01 179.09 3gkj n VAL 234 N -3.53 0.98 -3.78 3.13 0.24 -1.26 -4.91 118.33 109.19 3gkj n VAL 234 Ca -0.02 -0.99 -0.29 0.00 -2.04 0.00 0.00 64.34 61.00 3gkj n VAL 234 Cb 0.19 0.52 -0.16 0.00 -1.47 0.00 0.00 33.84 32.92 3gkj n VAL 234 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3gkj s THR 235 N -1.00 0.91 0.83 3.34 2.01 -0.95 -5.11 115.64 115.67 3gkj s THR 235 Ca 0.21 -1.05 -0.11 0.00 0.31 0.00 0.00 61.69 61.05 3gkj s THR 235 Cb 0.11 -1.47 0.09 0.00 0.01 0.00 0.00 72.50 71.25 3gkj s THR 235 CO 0.14 -0.37 1.10 0.00 -0.69 0.00 0.00 174.62 174.80 3gkj s ALA 236 N 1.65 1.89 1.13 7.40 0.00 -1.26 -2.66 121.76 129.92 3gkj s ALA 236 Ca 0.02 0.23 -0.13 0.00 0.00 0.00 0.00 51.96 52.08 3gkj s ALA 236 Cb -0.18 -3.28 0.25 0.00 0.00 0.00 0.00 23.12 19.91 3gkj s ALA 236 CO -0.14 -2.12 0.90 -2.30 0.00 0.00 0.00 175.76 172.10 3gkj n PRO 237 N -3.76 -2.08 -1.44 0.00 -0.02 -1.26 -4.57 135.00 121.88 3gkj n PRO 237 Ca 0.09 -0.57 -0.30 0.00 -2.02 0.00 0.00 63.50 60.69 3gkj n PRO 237 Cb 0.53 -2.13 0.09 0.00 -0.02 0.00 0.00 33.50 31.97 3gkj n PRO 237 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gkj s SER 239 N -3.70 5.13 0.27 0.00 1.04 -1.26 -4.86 113.70 110.32 3gkj s SER 239 Ca 0.61 1.72 -0.01 0.00 0.48 0.00 0.00 55.95 58.75 3gkj s SER 239 Cb -0.15 -2.51 0.49 0.00 0.10 0.00 0.00 66.02 63.95 3gkj s SER 239 CO 0.55 -1.61 1.84 0.00 0.98 0.00 0.00 173.24 175.00 3gkj h GLN 241 N 1.00 0.45 -0.14 0.00 4.15 -1.94 -2.37 115.11 116.26 3gkj h GLN 241 Ca 0.47 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.86 3gkj h GLN 241 Cb 0.39 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.98 3gkj h GLN 241 CO -0.24 0.30 0.00 -0.25 -1.93 0.00 0.00 178.83 176.70 3gkj n ASP 242 N -4.49 2.76 -3.14 -0.69 8.00 -0.74 -4.44 116.55 113.82 3gkj n ASP 242 Ca 0.14 -1.82 0.03 0.00 0.71 0.00 0.00 54.79 53.84 3gkj n ASP 242 Cb 0.49 -0.08 -0.00 0.00 -0.02 0.00 0.00 41.12 41.51 3gkj n ASP 242 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gkj h SER 244 N 7.23 0.00 -0.79 0.00 4.64 -1.85 -2.53 113.55 120.25 3gkj h SER 244 Ca 0.01 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.38 3gkj h SER 244 Cb 1.19 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.22 3gkj h SER 244 CO 0.09 0.01 0.48 0.40 -0.87 0.00 0.00 176.83 176.94 3gkj h ILE 245 N 0.00 1.05 0.00 0.95 2.04 -1.94 -2.96 117.51 116.65 3gkj h ILE 245 Ca -0.00 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3gkj h ILE 245 Cb 0.18 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 3gkj h ILE 245 CO 0.00 0.17 0.00 1.33 0.00 0.00 0.00 178.15 179.65 3gkj n VAL 246 N -4.65 0.11 0.42 1.67 0.24 -0.95 -5.08 118.33 110.09 3gkj n VAL 246 Ca 0.10 0.03 0.03 0.00 -2.04 0.00 0.00 64.34 62.47 3gkj n VAL 246 Cb 0.14 -0.56 0.20 0.00 -1.47 0.00 0.00 33.84 32.16 3gkj n VAL 246 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69