#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1q s TYR 11 N 0.00 3.05 -0.42 1.09 -0.85 -1.26 -5.07 117.35 113.89 3k1q s TYR 11 Ca 0.00 0.07 -0.42 0.00 -0.52 0.00 0.00 57.07 56.20 3k1q s TYR 11 Cb 0.00 -1.77 -0.17 0.00 0.38 0.00 0.00 41.96 40.40 3k1q s TYR 11 CO 0.00 0.35 1.92 -1.71 -1.52 0.00 0.00 175.55 174.59 3k1q n ASN 12 N 2.34 1.54 0.23 -0.18 5.15 -1.26 -4.85 115.26 118.22 3k1q n ASN 12 Ca -0.18 0.85 0.09 0.00 -0.60 0.00 0.00 54.58 54.74 3k1q n ASN 12 Cb 0.53 -1.02 0.52 0.00 -0.53 0.00 0.00 39.78 39.28 3k1q n ASN 12 CO 0.00 0.00 0.00 0.16 1.40 0.00 0.00 177.26 178.82 3k1q h ILE 13 N 6.09 0.73 -0.28 -1.44 3.07 -1.97 -3.34 117.51 120.37 3k1q h ILE 13 Ca -0.31 -1.01 -0.22 0.00 1.55 0.00 0.00 64.86 64.88 3k1q h ILE 13 Cb 1.36 1.63 -0.08 0.00 -0.27 0.00 0.00 36.82 39.46 3k1q h ILE 13 CO 1.02 0.23 -0.01 0.35 -1.05 0.00 0.00 178.15 178.69 3k1q n THR 14 N -3.62 2.77 -4.76 0.16 -2.24 -1.26 -4.30 114.28 101.03 3k1q n THR 14 Ca -0.01 -1.55 -0.33 0.00 -2.27 0.00 0.00 64.05 59.89 3k1q n THR 14 Cb 0.37 -1.69 -0.08 0.00 -2.10 0.00 0.00 70.33 66.83 3k1q n THR 14 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3k1q s GLY 15 N 1.40 3.03 0.05 3.38 0.00 -1.25 -4.99 107.32 108.94 3k1q s GLY 15 Ca 0.43 -0.34 0.05 0.00 0.00 0.00 0.00 44.72 44.85 3k1q s GLY 15 CO -0.04 -2.19 -0.07 0.51 0.00 0.00 0.00 173.10 171.31 3k1q s ASP 16 N -3.87 4.61 0.00 1.64 -4.77 -1.22 -3.84 116.67 109.21 3k1q s ASP 16 Ca 0.05 -0.23 0.00 0.00 -3.30 0.00 0.00 52.55 49.07 3k1q s ASP 16 Cb 0.01 -1.01 0.00 0.00 -1.09 0.00 0.00 42.92 40.83 3k1q s ASP 16 CO 0.03 0.23 0.00 0.61 0.70 0.00 0.00 175.17 176.74 3k1q n GLY 17 N 1.10 2.09 3.64 2.12 0.00 -0.93 -3.82 105.19 109.39 3k1q n GLY 17 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 3k1q n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1q s ASN 18 N -1.80 6.29 0.19 1.61 2.20 0.01 -4.77 114.94 118.67 3k1q s ASN 18 Ca 0.00 2.09 -0.30 0.00 -0.94 0.00 0.00 52.86 53.71 3k1q s ASN 18 Cb 0.00 -2.53 -0.08 0.00 -2.00 0.00 0.00 41.25 36.64 3k1q s ASN 18 CO 0.00 -1.26 1.02 -0.55 -2.94 0.00 0.00 177.10 173.37 3k1q s SER 19 N 4.86 7.43 -0.69 3.54 0.15 -1.26 -4.12 113.70 123.61 3k1q s SER 19 Ca 0.82 2.00 0.03 0.00 0.70 0.00 0.00 55.95 59.50 3k1q s SER 19 Cb -0.33 -2.61 0.17 0.00 -1.71 0.00 0.00 66.02 61.54 3k1q s SER 19 CO 0.34 -0.06 0.49 0.12 1.20 0.00 0.00 173.24 175.33 3k1q s PHE 20 N -0.58 3.54 -0.64 3.44 5.36 -1.26 -2.81 117.98 125.03 3k1q s PHE 20 Ca 0.46 -3.20 0.05 0.00 -0.96 0.00 0.00 56.93 53.27 3k1q s PHE 20 Cb -0.27 -2.87 0.16 0.00 -0.34 0.00 0.00 43.02 39.69 3k1q s PHE 20 CO 0.34 -0.65 0.42 0.95 -1.46 0.00 0.00 175.22 174.82 3k1q s THR 21 N -1.08 2.69 -0.19 0.12 -4.23 -0.96 -2.89 115.64 109.11 3k1q s THR 21 Ca 0.23 -3.94 -0.29 0.00 -1.18 0.00 0.00 61.69 56.51 3k1q s THR 21 Cb -0.11 -2.80 -0.02 0.00 1.34 0.00 0.00 72.50 70.91 3k1q s THR 21 CO -0.11 -0.96 1.47 -2.16 -0.54 0.00 0.00 174.62 172.32 3k1q s PRO 22 N -1.07 4.02 0.08 3.99 0.04 -1.20 -4.46 135.00 136.40 3k1q s PRO 22 Ca 0.23 1.69 0.06 0.00 0.04 0.00 0.00 61.00 63.02 3k1q s PRO 22 Cb -0.10 -3.92 -0.03 0.00 0.04 0.00 0.00 34.50 30.49 3k1q s PRO 22 CO -0.12 -1.01 -0.16 0.95 0.04 0.00 0.00 177.00 176.70 3k1q s THR 23 N 4.34 1.29 0.47 1.26 -4.23 -1.26 -1.08 115.64 116.43 3k1q s THR 23 Ca 0.64 -1.37 0.20 0.00 -1.18 0.00 0.00 61.69 59.98 3k1q s THR 23 Cb -0.24 -1.21 0.37 0.00 1.34 0.00 0.00 72.50 72.76 3k1q s THR 23 CO 0.24 -0.17 1.96 0.77 -0.54 0.00 0.00 174.62 176.88 3k1q h SER 24 N 4.25 0.22 -0.72 3.99 4.64 0.67 0.19 113.55 126.78 3k1q h SER 24 Ca -0.42 0.01 0.03 0.00 -0.47 0.00 0.00 61.79 60.94 3k1q h SER 24 Cb 1.19 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 63.20 3k1q h SER 24 CO 0.40 0.12 0.48 -0.78 -0.87 0.00 0.00 176.83 176.18 3k1q h ASP 25 N 0.24 0.77 -1.64 4.97 3.58 -1.85 -3.29 116.42 119.19 3k1q h ASP 25 Ca 0.31 -0.01 -0.64 0.00 0.42 0.00 0.00 57.03 57.11 3k1q h ASP 25 Cb 0.88 -0.18 -0.38 0.00 1.72 0.00 0.00 39.33 41.36 3k1q h ASP 25 CO -0.06 0.53 -0.27 0.23 -2.88 0.00 0.00 179.24 176.79 3k1q n MET 26 N -4.45 3.26 -2.23 0.28 2.81 0.66 -3.77 117.12 113.67 3k1q n MET 26 Ca 0.09 -4.26 -0.42 0.00 -1.81 0.00 0.00 57.70 51.30 3k1q n MET 26 Cb 0.11 -2.26 -0.03 0.00 -0.71 0.00 0.00 33.22 30.34 3k1q n MET 26 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3k1q s THR 27 N -5.42 3.68 0.00 2.03 2.01 -1.21 -4.57 115.64 112.16 3k1q s THR 27 Ca 0.49 0.62 0.00 0.00 0.31 0.00 0.00 61.69 63.11 3k1q s THR 27 Cb 0.41 -4.10 0.00 0.00 0.01 0.00 0.00 72.50 68.82 3k1q s THR 27 CO -0.25 -0.83 0.00 -1.20 -0.69 0.00 0.00 174.62 171.65 3k1q n SER 28 N 10.02 0.00 -3.64 3.53 7.64 -1.26 -4.81 113.62 125.11 3k1q n SER 28 Ca 0.17 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 60.03 3k1q n SER 28 Cb 0.49 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.65 3k1q n SER 28 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3k1q s THR 29 N 0.00 0.00 0.00 0.44 -1.32 -1.26 -5.09 115.64 108.41 3k1q s THR 29 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3k1q s THR 29 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 3k1q s THR 29 CO 0.00 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.41 3k1q n ALA 30 N 0.41 0.00 -3.67 11.08 0.00 -1.26 -4.92 120.51 122.15 3k1q n ALA 30 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 3k1q n ALA 30 Cb 0.58 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.94 3k1q n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q s ALA 31 N -2.00 3.57 0.04 0.00 0.00 -1.26 -5.00 121.76 117.10 3k1q s ALA 31 Ca 0.00 -3.13 -0.28 0.00 0.00 0.00 0.00 51.96 48.54 3k1q s ALA 31 Cb 0.00 -2.73 -0.17 0.00 0.00 0.00 0.00 23.12 20.22 3k1q s ALA 31 CO 0.00 -2.07 1.37 -1.35 0.00 0.00 0.00 175.76 173.71 3k1q h PRO 32 N 7.33 -0.69 -3.24 0.00 0.11 -2.05 -3.47 132.00 129.99 3k1q h PRO 32 Ca -0.03 0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.03 3k1q h PRO 32 Cb 0.98 0.16 -0.17 0.00 0.11 0.00 0.00 31.00 32.07 3k1q h PRO 32 CO 0.73 -0.40 -0.25 0.00 -0.21 0.00 0.00 178.00 177.87 3k1q s ALA 33 N -5.37 -0.72 0.24 -0.75 0.00 -1.26 -5.17 121.76 108.74 3k1q s ALA 33 Ca -0.15 0.08 0.10 0.00 0.00 0.00 0.00 51.96 51.98 3k1q s ALA 33 Cb 0.03 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 3k1q s ALA 33 CO 0.55 -0.39 -0.08 0.96 0.00 0.00 0.00 175.76 176.80 3k1q s ILE 34 N -2.32 3.13 -0.01 0.00 -5.25 -1.26 -5.09 121.20 110.40 3k1q s ILE 34 Ca -0.07 -1.94 -0.30 0.00 -0.99 0.00 0.00 60.65 57.36 3k1q s ILE 34 Cb -0.02 -2.63 -0.08 0.00 2.95 0.00 0.00 42.46 42.69 3k1q s ILE 34 CO -0.02 -0.29 1.90 -0.62 -1.79 0.00 0.00 174.94 174.13 3k1q s ASP 35 N -3.34 6.42 -0.32 4.36 2.15 -1.26 -4.92 116.67 119.76 3k1q s ASP 35 Ca 0.29 2.48 0.11 0.00 0.43 0.00 0.00 52.55 55.86 3k1q s ASP 35 Cb -0.07 -2.53 0.46 0.00 -0.30 0.00 0.00 42.92 40.48 3k1q s ASP 35 CO 0.17 -1.10 1.12 -0.11 -0.17 0.00 0.00 175.17 175.08 3k1q n LEU 36 N 7.78 3.71 -4.76 -1.34 7.94 -1.26 -4.99 117.00 124.09 3k1q n LEU 36 Ca 0.20 -4.36 -0.41 0.00 -1.11 0.00 0.00 56.01 50.33 3k1q n LEU 36 Cb 0.42 -0.10 -0.04 0.00 0.53 0.00 0.00 43.42 44.24 3k1q n LEU 36 CO 0.66 1.84 0.86 -0.75 -1.11 0.00 0.00 177.39 178.90 3k1q s LYS 37 N -3.57 4.53 0.18 1.96 2.20 -1.26 -4.83 119.74 118.96 3k1q s LYS 37 Ca 0.42 1.94 -0.15 0.00 -0.36 0.00 0.00 55.97 57.82 3k1q s LYS 37 Cb 0.39 -3.16 0.14 0.00 -1.51 0.00 0.00 37.83 33.70 3k1q s LYS 37 CO -0.03 0.05 1.67 -1.35 -0.36 0.00 0.00 175.35 175.32 3k1q h PRO 38 N 3.91 0.03 -0.96 4.03 0.11 -2.00 0.75 132.00 137.87 3k1q h PRO 38 Ca -0.47 -0.00 0.30 0.00 0.11 0.00 0.00 66.00 65.94 3k1q h PRO 38 Cb 1.22 -0.01 -0.16 0.00 0.11 0.00 0.00 31.00 32.16 3k1q h PRO 38 CO 0.68 0.02 0.36 0.78 -0.21 0.00 0.00 178.00 179.62 3k1q h GLY 39 N 0.03 1.73 2.00 -0.55 0.00 -2.04 -0.23 103.07 104.02 3k1q h GLY 39 Ca 0.23 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.40 3k1q h GLY 39 CO -0.45 -0.52 -0.36 -2.08 0.00 0.00 0.00 176.54 173.14 3k1q h VAL 40 N 0.16 0.64 0.00 4.60 2.07 -1.23 -3.28 116.25 119.20 3k1q h VAL 40 Ca 0.67 -1.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 3k1q h VAL 40 Cb 1.53 2.25 -0.00 0.00 -1.52 0.00 0.00 31.29 33.55 3k1q h VAL 40 CO -0.71 0.35 -0.00 -0.07 0.02 0.00 0.00 177.57 177.15 3k1q h LEU 41 N 0.00 0.00 0.00 2.57 3.38 -0.24 -3.40 115.31 117.62 3k1q h LEU 41 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k1q h LEU 41 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3k1q h LEU 41 CO 0.05 0.00 0.00 -3.20 0.09 0.00 0.00 178.44 175.38 3k1q n ASN 42 N -4.16 0.00 0.00 -0.43 4.05 -1.24 -4.82 115.26 108.66 3k1q n ASN 42 Ca -0.03 0.82 0.00 0.00 0.45 0.00 0.00 54.58 55.82 3k1q n ASN 42 Cb 0.09 -0.32 0.00 0.00 1.23 0.00 0.00 39.78 40.78 3k1q n ASN 42 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 3k1q n PRO 43 N -1.45 0.00 0.00 1.20 -0.02 -1.26 -4.55 135.00 128.92 3k1q n PRO 43 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3k1q n PRO 43 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3k1q n PRO 43 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3k1q n THR 44 N 0.00 0.00 -1.85 3.45 5.66 -1.21 -2.00 114.28 118.34 3k1q n THR 44 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 3k1q n THR 44 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 3k1q n THR 44 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 3k1q s GLY 45 N 0.00 1.48 0.35 1.09 0.00 -1.26 -4.74 107.32 104.24 3k1q s GLY 45 Ca 0.00 1.27 -0.25 0.00 0.00 0.00 0.00 44.72 45.73 3k1q s GLY 45 CO 0.00 3.03 0.99 1.25 0.00 0.00 0.00 173.10 178.37 3k1q s LYS 46 N 2.97 4.43 -0.13 2.90 2.47 -0.96 -1.13 119.74 130.28 3k1q s LYS 46 Ca 0.77 1.41 -0.22 0.00 -1.56 0.00 0.00 55.97 56.38 3k1q s LYS 46 Cb -0.41 -2.71 -0.03 0.00 -1.46 0.00 0.00 37.83 33.22 3k1q s LYS 46 CO 0.34 0.12 0.65 -1.17 0.16 0.00 0.00 175.35 175.45 3k1q s LEU 47 N -2.27 4.23 0.00 5.43 0.20 -1.25 -1.90 118.68 123.12 3k1q s LEU 47 Ca 0.53 0.99 0.00 0.00 0.69 0.00 0.00 54.13 56.34 3k1q s LEU 47 Cb -0.20 -2.96 -0.00 0.00 -0.43 0.00 0.00 46.19 42.60 3k1q s LEU 47 CO 0.26 -0.18 0.01 0.79 -0.29 0.00 0.00 176.35 176.94 3k1q n TRP 48 N 4.38 0.25 -3.68 5.38 7.02 0.61 -1.98 117.44 129.42 3k1q n TRP 48 Ca -0.02 -0.73 -0.14 0.00 -1.02 0.00 0.00 57.50 55.59 3k1q n TRP 48 Cb 0.51 -0.07 -0.08 0.00 -2.42 0.00 0.00 31.31 29.24 3k1q n TRP 48 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3k1q s ARG 49 N -2.50 0.69 -0.62 -0.99 1.81 -0.45 -0.80 118.95 116.10 3k1q s ARG 49 Ca 0.02 0.41 -0.25 0.00 -1.72 0.00 0.00 55.73 54.18 3k1q s ARG 49 Cb 0.00 0.33 -0.23 0.00 -0.45 0.00 0.00 34.95 34.60 3k1q s ARG 49 CO 0.01 -0.14 1.84 -0.35 -0.68 0.00 0.00 175.30 175.98 3k1q n PRO 50 N 2.10 0.90 0.00 3.54 -0.04 -1.26 -1.98 135.00 138.26 3k1q n PRO 50 Ca -0.16 -1.66 0.00 0.00 -0.04 0.00 0.00 63.50 61.64 3k1q n PRO 50 Cb 0.56 -3.01 0.00 0.00 -0.04 0.00 0.00 33.50 31.02 3k1q n PRO 50 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3k1q n VAL 51 N 6.89 0.00 0.00 0.52 0.31 -0.75 -3.04 118.33 122.26 3k1q n VAL 51 Ca 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.80 3k1q n VAL 51 Cb 0.42 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 3k1q n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k1q n GLY 52 N 0.00 0.11 3.59 2.92 0.00 -1.26 -4.51 105.19 106.04 3k1q n GLY 52 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3k1q n GLY 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k1q s THR 53 N 0.00 1.53 0.44 2.61 -4.23 -1.17 -5.09 115.64 109.74 3k1q s THR 53 Ca 0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.44 3k1q s THR 53 Cb 0.00 -2.51 0.11 0.00 1.34 0.00 0.00 72.50 71.44 3k1q s THR 53 CO 0.00 0.00 0.29 -1.54 -0.54 0.00 0.00 174.62 172.83 3k1q n SER 54 N -4.84 -2.30 -4.55 3.99 3.41 -1.26 -4.75 113.62 103.32 3k1q n SER 54 Ca 0.15 -0.40 -0.41 0.00 -0.26 0.00 0.00 58.87 57.95 3k1q n SER 54 Cb 0.60 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 3k1q n SER 54 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3k1q s VAL 55 N -1.43 3.97 0.00 -3.33 1.01 -1.26 -3.53 120.40 115.83 3k1q s VAL 55 Ca 0.21 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3k1q s VAL 55 Cb -0.03 -5.03 0.00 0.00 0.00 0.00 0.00 36.38 31.32 3k1q s VAL 55 CO 0.18 -1.90 0.00 0.00 0.00 0.00 0.00 175.10 173.37 3k1q n ALA 56 N 8.75 0.22 0.43 5.51 0.00 -1.26 -5.02 120.51 129.14 3k1q n ALA 56 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3k1q n ALA 56 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3k1q n ALA 56 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3k1q n THR 57 N -2.45 0.00 -0.40 0.00 -2.24 -1.23 -4.45 114.28 103.51 3k1q n THR 57 Ca 0.00 0.00 0.36 0.00 -2.27 0.00 0.00 64.05 62.14 3k1q n THR 57 Cb 0.00 -0.22 0.63 0.00 -2.10 0.00 0.00 70.33 68.65 3k1q n THR 57 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3k1q h ILE 58 N 0.00 0.02 -0.52 2.28 2.04 -1.88 0.15 117.51 119.60 3k1q h ILE 58 Ca 0.00 -0.01 0.15 0.00 1.00 0.00 0.00 64.86 66.00 3k1q h ILE 58 Cb 0.21 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 3k1q h ILE 58 CO 0.00 0.00 0.66 -2.24 0.00 0.00 0.00 178.15 176.58 3k1q h ASP 59 N 0.02 0.00 -3.32 1.72 3.04 -1.93 -3.39 116.42 112.56 3k1q h ASP 59 Ca 0.86 0.00 -0.53 0.00 -3.24 0.00 0.00 57.03 54.12 3k1q h ASP 59 Cb 2.54 0.00 -0.35 0.00 -1.04 0.00 0.00 39.33 40.49 3k1q h ASP 59 CO -0.60 0.00 -0.82 -0.44 -2.04 0.00 0.00 179.24 175.35 3k1q s SER 60 N -4.60 2.02 -0.03 4.15 0.01 0.04 -5.10 113.70 110.20 3k1q s SER 60 Ca -0.04 -0.33 0.05 0.00 1.31 0.00 0.00 55.95 56.95 3k1q s SER 60 Cb 0.14 -0.88 -0.01 0.00 0.21 0.00 0.00 66.02 65.47 3k1q s SER 60 CO 0.47 -0.01 -0.18 -0.76 0.41 0.00 0.00 173.24 173.17 3k1q s LEU 61 N 1.03 1.97 -0.16 2.44 1.43 -1.26 -1.81 118.68 122.33 3k1q s LEU 61 Ca -0.07 -0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 52.64 3k1q s LEU 61 Cb -0.15 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 3k1q s LEU 61 CO -0.01 0.19 0.02 0.00 0.23 0.00 0.00 176.35 176.77 3k1q s ALA 62 N -0.18 3.24 0.32 4.21 0.00 -0.84 -4.87 121.76 123.63 3k1q s ALA 62 Ca 0.01 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 50.90 3k1q s ALA 62 Cb -0.09 -1.72 -0.11 0.00 0.00 0.00 0.00 23.12 21.20 3k1q s ALA 62 CO 0.01 0.25 1.53 0.96 0.00 0.00 0.00 175.76 178.52 3k1q s ILE 63 N 0.18 2.14 1.20 0.00 -5.25 -1.26 -1.33 121.20 116.87 3k1q s ILE 63 Ca 0.02 0.13 -0.18 0.00 -0.99 0.00 0.00 60.65 59.62 3k1q s ILE 63 Cb -0.13 -3.08 0.24 0.00 2.95 0.00 0.00 42.46 42.44 3k1q s ILE 63 CO 0.02 0.02 0.52 1.33 -1.79 0.00 0.00 174.94 175.04 3k1q n VAL 64 N 1.59 0.00 -2.51 8.37 0.24 -0.84 -4.74 118.33 120.46 3k1q n VAL 64 Ca 0.05 -0.12 -0.41 0.00 -2.04 0.00 0.00 64.34 61.83 3k1q n VAL 64 Cb 0.38 -0.72 -0.01 0.00 -1.47 0.00 0.00 33.84 32.02 3k1q n VAL 64 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3k1q s SER 65 N -2.34 6.54 0.45 -1.34 0.15 -0.80 -4.73 113.70 111.62 3k1q s SER 65 Ca 0.53 -2.17 0.14 0.00 0.70 0.00 0.00 55.95 55.15 3k1q s SER 65 Cb -0.11 -2.58 1.01 0.00 -1.71 0.00 0.00 66.02 62.63 3k1q s SER 65 CO 0.49 -1.48 2.00 -2.24 1.20 0.00 0.00 173.24 173.22 3k1q h ASP 66 N 8.24 0.02 -0.37 5.45 -0.00 -1.60 0.93 116.42 129.09 3k1q h ASP 66 Ca 0.38 -0.00 0.07 0.00 -0.00 0.00 0.00 57.03 57.47 3k1q h ASP 66 Cb 0.90 -0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 40.16 3k1q h ASP 66 CO 1.42 0.18 -0.11 0.54 -0.00 0.00 0.00 179.24 181.27 3k1q n ARG 67 N -4.34 -0.06 0.00 4.15 1.74 -1.26 -3.78 116.66 113.11 3k1q n ARG 67 Ca -0.02 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.62 3k1q n ARG 67 Cb 0.23 -0.85 0.00 0.00 -1.02 0.00 0.00 32.46 30.82 3k1q n ARG 67 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 3k1q n PHE 68 N -4.57 0.00 0.00 -1.55 1.16 -1.08 -5.11 117.46 106.31 3k1q n PHE 68 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.63 3k1q n PHE 68 Cb 0.17 0.11 0.00 0.00 -1.61 0.00 0.00 39.48 38.15 3k1q n PHE 68 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3k1q n GLY 69 N 0.00 1.80 0.00 4.97 0.00 0.30 -4.90 105.19 107.36 3k1q n GLY 69 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3k1q n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k1q n GLN 70 N 0.00 0.00 -0.33 1.61 3.00 -1.17 -3.65 117.38 116.84 3k1q n GLN 70 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3k1q n GLN 70 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3k1q n GLN 70 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3k1q n TYR 71 N 0.00 -0.50 -1.19 1.08 4.01 -1.26 -1.91 117.16 117.38 3k1q n TYR 71 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 3k1q n TYR 71 Cb 0.00 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.12 3k1q n TYR 71 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3k1q n SER 72 N -0.58 -0.72 -4.57 7.72 7.64 -1.26 -3.92 113.62 117.92 3k1q n SER 72 Ca 0.00 0.57 -0.52 0.00 1.01 0.00 0.00 58.87 59.93 3k1q n SER 72 Cb 0.00 -1.29 -0.07 0.00 -1.01 0.00 0.00 64.21 61.85 3k1q n SER 72 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3k1q n PHE 73 N -2.70 1.89 -1.82 1.43 7.35 -0.29 -3.51 117.46 119.82 3k1q n PHE 73 Ca 0.11 0.29 -0.40 0.00 -0.76 0.00 0.00 57.45 56.68 3k1q n PHE 73 Cb 0.50 -2.54 0.01 0.00 0.35 0.00 0.00 39.48 37.80 3k1q n PHE 73 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3k1q s VAL 74 N 5.56 2.10 -0.64 -2.13 1.01 0.20 -3.32 120.40 123.18 3k1q s VAL 74 Ca 1.03 0.09 -0.26 0.00 0.00 0.00 0.00 61.98 62.84 3k1q s VAL 74 Cb -0.88 -3.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 3k1q s VAL 74 CO 0.54 0.02 2.17 0.21 0.00 0.00 0.00 175.10 178.04 3k1q s ASN 75 N -0.42 4.70 0.16 3.32 3.84 -0.84 -4.66 114.94 121.03 3k1q s ASN 75 Ca 0.58 0.40 -0.00 0.00 0.21 0.00 0.00 52.86 54.05 3k1q s ASN 75 Cb -0.44 -2.53 0.36 0.00 -0.55 0.00 0.00 41.25 38.09 3k1q s ASN 75 CO 0.58 -2.88 0.82 1.21 -2.79 0.00 0.00 177.10 174.04 3k1q n GLU 76 N 9.01 -0.04 -0.06 0.43 2.13 -1.26 -0.74 120.64 130.10 3k1q n GLU 76 Ca 0.34 0.80 -0.15 0.00 0.66 0.00 0.00 57.16 58.81 3k1q n GLU 76 Cb 0.51 -1.25 -0.06 0.00 0.27 0.00 0.00 31.44 30.91 3k1q n GLU 76 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3k1q h GLY 77 N 0.00 0.73 0.98 8.31 0.00 -1.94 -1.96 103.07 109.19 3k1q h GLY 77 Ca 0.30 -0.87 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 3k1q h GLY 77 CO -0.51 0.78 0.09 1.98 0.00 0.00 0.00 176.54 178.88 3k1q h MET 78 N 0.36 0.80 -0.35 4.80 1.85 -1.79 0.35 114.93 120.96 3k1q h MET 78 Ca 0.01 -0.21 0.07 0.00 -0.61 0.00 0.00 59.70 58.96 3k1q h MET 78 Cb 1.03 -0.10 -0.07 0.00 0.43 0.00 0.00 31.60 32.89 3k1q h MET 78 CO 0.10 0.80 -0.15 0.07 -0.40 0.00 0.00 176.91 177.32 3k1q h ARG 79 N 0.68 -0.09 -0.14 0.39 0.11 -0.83 0.17 114.38 114.68 3k1q h ARG 79 Ca 0.15 0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.23 3k1q h ARG 79 Cb 0.38 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.47 3k1q h ARG 79 CO 0.01 -0.06 0.08 0.93 0.10 0.00 0.00 179.97 181.03 3k1q h GLU 80 N -0.09 0.19 0.28 0.08 5.08 -0.94 -1.66 114.58 117.52 3k1q h GLU 80 Ca 0.17 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3k1q h GLU 80 Cb 0.35 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 3k1q h GLU 80 CO -0.41 0.19 -0.42 1.79 -1.00 0.00 0.00 179.01 179.17 3k1q h THR 81 N 0.14 0.16 -0.92 1.13 1.35 -0.21 -2.92 112.91 111.63 3k1q h THR 81 Ca 0.05 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 66.03 3k1q h THR 81 Cb 0.05 0.16 -0.08 0.00 -1.73 0.00 0.00 68.15 66.55 3k1q h THR 81 CO -0.01 0.00 0.55 -0.26 -0.25 0.00 0.00 175.52 175.55 3k1q h PHE 82 N -0.76 0.99 -0.80 4.73 0.04 -0.64 -1.82 116.94 118.68 3k1q h PHE 82 Ca -0.01 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.81 3k1q h PHE 82 Cb 0.72 -0.31 -0.05 0.00 2.20 0.00 0.00 35.95 38.52 3k1q h PHE 82 CO -0.29 0.36 0.52 1.03 -0.60 0.00 0.00 178.31 179.33 3k1q h SER 83 N 0.86 0.88 -0.65 2.17 0.87 -1.33 -1.82 113.55 114.53 3k1q h SER 83 Ca 0.47 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 61.05 3k1q h SER 83 Cb 0.51 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.22 3k1q h SER 83 CO -0.28 0.62 0.40 0.11 -0.53 0.00 0.00 176.83 177.14 3k1q h LYS 84 N 1.04 0.75 -0.44 2.24 1.79 -1.16 -2.71 116.57 118.09 3k1q h LYS 84 Ca 0.31 -0.05 0.06 0.00 -2.18 0.00 0.00 60.65 58.79 3k1q h LYS 84 Cb -0.05 -0.17 -0.05 0.00 -1.58 0.00 0.00 32.23 30.38 3k1q h LYS 84 CO -0.09 0.50 0.14 0.00 -1.08 0.00 0.00 179.45 178.91 3k1q h ALA 85 N 1.28 0.51 -0.24 3.86 0.00 -1.08 -1.75 119.26 121.84 3k1q h ALA 85 Ca 0.26 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.29 3k1q h ALA 85 Cb 0.03 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3k1q h ALA 85 CO -0.11 -0.26 0.17 1.25 0.00 0.00 0.00 179.25 180.30 3k1q h LEU 86 N 0.30 0.07 -0.92 0.00 5.85 -1.02 -2.69 115.31 116.89 3k1q h LEU 86 Ca 0.21 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 3k1q h LEU 86 Cb 0.22 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3k1q h LEU 86 CO -0.23 0.05 -0.10 -0.26 -0.34 0.00 0.00 178.44 177.56 3k1q h PHE 87 N 0.08 0.74 -0.86 1.25 0.05 -1.10 -2.36 116.94 114.74 3k1q h PHE 87 Ca 0.11 -0.12 0.14 0.00 3.82 0.00 0.00 57.97 61.92 3k1q h PHE 87 Cb 0.34 -0.19 -0.15 0.00 2.00 0.00 0.00 35.95 37.94 3k1q h PHE 87 CO -0.00 0.75 -0.34 -0.44 -0.18 0.00 0.00 178.31 178.10 3k1q h ASP 88 N 0.62 -1.24 -0.74 2.17 3.32 -1.29 -1.55 116.42 117.72 3k1q h ASP 88 Ca 0.11 0.28 -0.03 0.00 0.02 0.00 0.00 57.03 57.41 3k1q h ASP 88 Cb 0.54 0.67 -0.04 0.00 0.22 0.00 0.00 39.33 40.72 3k1q h ASP 88 CO 0.03 -0.29 0.35 0.40 -1.72 0.00 0.00 179.24 178.01 3k1q h ILE 89 N -0.05 1.24 -0.19 0.35 1.08 -1.52 -2.35 117.51 116.08 3k1q h ILE 89 Ca 0.33 -0.68 0.04 0.00 -0.39 0.00 0.00 64.86 64.16 3k1q h ILE 89 Cb 0.59 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 3k1q h ILE 89 CO -0.89 0.29 0.13 0.78 -0.69 0.00 0.00 178.15 177.77 3k1q h ASN 90 N 1.07 0.05 -0.05 1.72 -0.26 -1.17 -0.15 115.58 116.79 3k1q h ASN 90 Ca 0.26 -0.00 0.02 0.00 -0.56 0.00 0.00 56.30 56.01 3k1q h ASN 90 Cb 0.12 -0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 37.37 3k1q h ASN 90 CO -0.03 0.03 0.05 0.24 -1.06 0.00 0.00 177.43 176.66 3k1q h MET 91 N 0.05 0.00 -0.33 0.81 2.86 -0.72 -0.93 114.93 116.67 3k1q h MET 91 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3k1q h MET 91 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 3k1q h MET 91 CO -0.01 0.00 0.00 0.91 1.06 0.00 0.00 176.91 178.87 3k1q n TRP 92 N -3.95 0.90 -0.25 -0.22 8.01 -0.08 -4.76 117.44 117.08 3k1q n TRP 92 Ca -0.02 -0.73 0.05 0.00 -1.31 0.00 0.00 57.50 55.49 3k1q n TRP 92 Cb 0.15 -0.23 0.15 0.00 -2.01 0.00 0.00 31.31 29.37 3k1q n TRP 92 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.69 177.05 3k1q h GLN 93 N 2.17 0.10 -0.39 -0.99 4.15 -1.04 0.73 115.11 119.84 3k1q h GLN 93 Ca 0.00 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.47 3k1q h GLN 93 Cb 1.26 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.90 3k1q h GLN 93 CO 0.17 0.07 0.27 -1.00 -1.93 0.00 0.00 178.83 176.41 3k1q h PRO 94 N 0.11 0.29 0.04 -2.39 0.13 -1.89 0.05 132.00 128.35 3k1q h PRO 94 Ca 0.40 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 65.42 3k1q h PRO 94 Cb 0.70 -0.07 0.01 0.00 0.13 0.00 0.00 31.00 31.77 3k1q h PRO 94 CO -0.65 0.19 -0.39 1.25 -0.23 0.00 0.00 178.00 178.18 3k1q h LEU 95 N 0.30 0.27 -0.52 1.56 5.85 -1.31 -1.14 115.31 120.33 3k1q h LEU 95 Ca 0.17 -0.88 0.10 0.00 0.84 0.00 0.00 57.88 58.12 3k1q h LEU 95 Cb 0.30 -0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.14 3k1q h LEU 95 CO -0.04 1.12 -0.18 -0.26 -0.34 0.00 0.00 178.44 178.75 3k1q h PHE 96 N -0.54 -0.43 -0.69 1.25 -1.00 -0.68 -0.13 116.94 114.72 3k1q h PHE 96 Ca -0.06 0.05 0.09 0.00 2.81 0.00 0.00 57.97 60.86 3k1q h PHE 96 Cb 1.22 0.27 -0.07 0.00 3.61 0.00 0.00 35.95 40.98 3k1q h PHE 96 CO 0.20 -0.27 0.33 1.96 -1.61 0.00 0.00 178.31 178.93 3k1q h GLN 97 N -0.06 0.56 -0.22 1.51 4.20 -0.87 -2.50 115.11 117.73 3k1q h GLN 97 Ca 0.25 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.82 3k1q h GLN 97 Cb 0.44 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 3k1q h GLN 97 CO -0.57 0.37 -0.31 0.00 -0.67 0.00 0.00 178.83 177.65 3k1q h ALA 98 N 1.42 1.06 0.00 3.87 0.00 -0.24 0.24 119.26 125.61 3k1q h ALA 98 Ca 0.34 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3k1q h ALA 98 Cb 0.35 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3k1q h ALA 98 CO -0.26 0.58 0.00 0.25 0.00 0.00 0.00 179.25 179.81 3k1q n THR 99 N -4.09 0.05 -2.85 0.00 -2.24 -0.15 -4.94 114.28 100.07 3k1q n THR 99 Ca -0.01 0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.66 3k1q n THR 99 Cb 0.44 -0.63 -0.01 0.00 -2.10 0.00 0.00 70.33 68.03 3k1q n THR 99 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3k1q n LYS 100 N -1.06 -2.66 -1.91 -0.78 4.01 0.85 -4.88 118.16 111.72 3k1q n LYS 100 Ca 0.17 0.30 -0.40 0.00 -0.51 0.00 0.00 58.31 57.88 3k1q n LYS 100 Cb 0.10 -4.89 0.04 0.00 -0.51 0.00 0.00 35.03 29.77 3k1q n LYS 100 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3k1q n THR 101 N -3.23 3.62 -2.30 -0.18 -2.24 -1.01 -4.75 114.28 104.18 3k1q n THR 101 Ca -0.04 -4.28 -0.21 0.00 -2.27 0.00 0.00 64.05 57.25 3k1q n THR 101 Cb 0.54 -1.25 -0.02 0.00 -2.10 0.00 0.00 70.33 67.50 3k1q n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k1q n GLY 102 N -0.50 -0.20 0.54 3.38 0.00 -1.26 -4.88 105.19 102.28 3k1q n GLY 102 Ca 0.54 -0.00 0.40 0.00 0.00 0.00 0.00 46.02 46.96 3k1q n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1q n GLY 104 N -1.66 -0.42 3.45 0.00 0.00 -1.26 -4.71 105.19 100.59 3k1q n GLY 104 Ca 0.37 1.06 -0.46 0.00 0.00 0.00 0.00 46.02 46.98 3k1q n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3k1q n PRO 105 N 7.73 0.55 -0.18 1.61 -0.04 -1.26 -4.82 135.00 138.59 3k1q n PRO 105 Ca 0.60 0.10 0.10 0.00 -0.04 0.00 0.00 63.50 64.25 3k1q n PRO 105 Cb 0.02 -2.19 0.19 0.00 -0.04 0.00 0.00 33.50 31.48 3k1q n PRO 105 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3k1q n ILE 106 N 7.33 -0.22 -3.18 0.52 5.41 -1.26 -4.90 119.36 123.06 3k1q n ILE 106 Ca 0.51 1.16 -0.09 0.00 1.00 0.00 0.00 62.75 65.33 3k1q n ILE 106 Cb 0.18 -1.73 0.00 0.00 -0.71 0.00 0.00 39.64 37.39 3k1q n ILE 106 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3k1q n VAL 107 N -4.56 -8.76 -0.40 1.39 0.24 -1.26 -4.84 118.33 100.15 3k1q n VAL 107 Ca 0.14 0.06 0.34 0.00 -2.04 0.00 0.00 64.34 62.84 3k1q n VAL 107 Cb 0.47 -6.09 0.61 0.00 -1.47 0.00 0.00 33.84 27.36 3k1q n VAL 107 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3k1q h LEU 108 N 0.77 0.31 -1.50 1.34 5.85 -1.98 0.73 115.31 120.82 3k1q h LEU 108 Ca -0.15 0.18 0.32 0.00 0.84 0.00 0.00 57.88 59.06 3k1q h LEU 108 Cb 1.10 0.17 -0.09 0.00 0.37 0.00 0.00 40.66 42.20 3k1q h LEU 108 CO 0.29 -0.24 0.75 0.77 -0.34 0.00 0.00 178.44 179.66 3k1q h SER 109 N 0.10 0.32 0.25 1.25 4.64 -1.93 0.22 113.55 118.39 3k1q h SER 109 Ca 0.82 0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 62.14 3k1q h SER 109 Cb 2.35 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 64.46 3k1q h SER 109 CO -0.54 0.02 -0.30 0.28 -0.87 0.00 0.00 176.83 175.42 3k1q h SER 110 N 0.26 0.08 -0.01 4.97 0.02 -1.17 -3.04 113.55 114.66 3k1q h SER 110 Ca 0.63 -0.02 -0.22 0.00 -0.84 0.00 0.00 61.79 61.34 3k1q h SER 110 Cb 1.88 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 64.40 3k1q h SER 110 CO -0.26 0.38 -0.81 -0.26 -1.14 0.00 0.00 176.83 174.74 3k1q h PHE 111 N 0.08 0.93 -0.16 3.45 -1.00 -0.73 -3.39 116.94 116.12 3k1q h PHE 111 Ca 0.01 -0.43 -0.19 0.00 2.81 0.00 0.00 57.97 60.18 3k1q h PHE 111 Cb 0.57 -0.14 0.01 0.00 3.61 0.00 0.00 35.95 40.01 3k1q h PHE 111 CO 0.00 1.24 0.55 0.25 -1.61 0.00 0.00 178.31 178.74 3k1q n THR 112 N -3.89 0.56 -3.82 -1.55 -2.24 -1.15 -4.58 114.28 97.61 3k1q n THR 112 Ca -0.07 -0.57 -0.27 0.00 -2.27 0.00 0.00 64.05 60.87 3k1q n THR 112 Cb 0.76 -2.06 -0.03 0.00 -2.10 0.00 0.00 70.33 66.90 3k1q n THR 112 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3k1q s THR 113 N 14.05 5.27 0.16 4.28 -4.23 -0.21 -4.79 115.64 130.17 3k1q s THR 113 Ca 0.76 -0.47 -0.32 0.00 -1.18 0.00 0.00 61.69 60.48 3k1q s THR 113 Cb -0.00 -3.72 -0.10 0.00 1.34 0.00 0.00 72.50 70.02 3k1q s THR 113 CO 0.19 -0.09 1.58 0.42 -0.54 0.00 0.00 174.62 176.18 3k1q s THR 114 N -1.77 2.63 -0.11 3.99 -4.23 -1.26 -0.43 115.64 114.48 3k1q s THR 114 Ca 0.37 0.44 0.03 0.00 -1.18 0.00 0.00 61.69 61.34 3k1q s THR 114 Cb -0.11 -3.28 -0.00 0.00 1.34 0.00 0.00 72.50 70.44 3k1q s THR 114 CO 0.28 0.03 -0.21 0.28 -0.54 0.00 0.00 174.62 174.47 3k1q s THR 115 N 1.23 2.35 -0.13 3.99 -1.32 -0.36 -4.73 115.64 116.67 3k1q s THR 115 Ca 0.70 -0.92 -0.04 0.00 -1.21 0.00 0.00 61.69 60.23 3k1q s THR 115 Cb -0.44 -1.93 0.05 0.00 -1.51 0.00 0.00 72.50 68.68 3k1q s THR 115 CO 0.31 0.55 0.07 -0.55 -2.21 0.00 0.00 174.62 172.79 3k1q s SER 116 N 0.33 2.04 0.00 8.08 0.15 -1.26 -1.40 113.70 121.64 3k1q s SER 116 Ca -0.16 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.07 3k1q s SER 116 Cb -0.17 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.85 3k1q s SER 116 CO 0.08 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.83 3k1q n GLY 117 N 5.24 -0.46 3.80 9.45 0.00 -1.21 -4.82 105.19 117.19 3k1q n GLY 117 Ca -0.06 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 3k1q n GLY 117 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k1q s TYR 118 N -2.27 3.76 -0.31 1.61 1.51 0.02 0.11 117.35 121.78 3k1q s TYR 118 Ca 0.00 1.21 -0.04 0.00 -1.01 0.00 0.00 57.07 57.23 3k1q s TYR 118 Cb 0.00 -2.50 0.04 0.00 -0.11 0.00 0.00 41.96 39.39 3k1q s TYR 118 CO 0.00 0.52 0.05 0.08 -1.11 0.00 0.00 175.55 175.09 3k1q s VAL 119 N -0.82 3.44 -0.20 0.71 1.01 0.76 -0.28 120.40 125.02 3k1q s VAL 119 Ca 0.29 -1.17 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 3k1q s VAL 119 Cb -0.19 -2.92 0.15 0.00 0.00 0.00 0.00 36.38 33.42 3k1q s VAL 119 CO 0.18 -0.09 1.15 -0.83 0.00 0.00 0.00 175.10 175.51 3k1q s GLY 120 N 1.35 -0.15 0.16 4.51 0.00 -0.80 -4.28 107.32 108.11 3k1q s GLY 120 Ca -0.02 2.20 -0.21 0.00 0.00 0.00 0.00 44.72 46.69 3k1q s GLY 120 CO 0.01 0.95 1.62 0.00 0.00 0.00 0.00 173.10 175.68 3k1q h ALA 121 N 2.27 -0.03 -2.99 3.20 0.00 -1.89 -2.54 119.26 117.28 3k1q h ALA 121 Ca -0.13 0.12 -0.62 0.00 0.00 0.00 0.00 54.91 54.27 3k1q h ALA 121 Cb 1.18 0.55 -0.13 0.00 0.00 0.00 0.00 17.79 19.38 3k1q h ALA 121 CO 0.27 -0.63 -0.71 0.95 0.00 0.00 0.00 179.25 179.13 3k1q s THR 122 N -6.09 3.32 0.19 0.00 -4.23 -1.26 -4.75 115.64 102.83 3k1q s THR 122 Ca -0.15 -1.59 -0.20 0.00 -1.18 0.00 0.00 61.69 58.57 3k1q s THR 122 Cb 0.14 -2.65 0.14 0.00 1.34 0.00 0.00 72.50 71.47 3k1q s THR 122 CO 0.69 -0.10 1.58 0.00 -0.54 0.00 0.00 174.62 176.25 3k1q h ALA 123 N 2.88 -0.00 -0.19 3.99 0.00 -1.92 0.25 119.26 124.27 3k1q h ALA 123 Ca -0.47 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3k1q h ALA 123 Cb 1.20 0.80 0.00 0.00 0.00 0.00 0.00 17.79 19.79 3k1q h ALA 123 CO 0.55 -0.66 0.00 0.41 0.00 0.00 0.00 179.25 179.55 3k1q n GLY 124 N -1.44 -0.24 0.35 0.00 0.00 -1.26 -0.44 105.19 102.16 3k1q n GLY 124 Ca 0.05 0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.13 3k1q n GLY 124 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3k1q h ASP 125 N 0.00 0.88 0.41 1.61 3.04 -1.84 -3.05 116.42 117.47 3k1q h ASP 125 Ca 0.00 -0.02 -0.07 0.00 -3.24 0.00 0.00 57.03 53.71 3k1q h ASP 125 Cb 0.00 -0.21 -0.01 0.00 -1.04 0.00 0.00 39.33 38.07 3k1q h ASP 125 CO 0.00 0.62 -0.31 0.00 -2.04 0.00 0.00 179.24 177.51 3k1q h ALA 126 N 1.52 1.35 -0.99 4.15 0.00 0.58 -2.41 119.26 123.46 3k1q h ALA 126 Ca 0.31 -0.28 0.20 0.00 0.00 0.00 0.00 54.91 55.14 3k1q h ALA 126 Cb -0.04 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.60 3k1q h ALA 126 CO -0.08 0.39 0.62 -0.07 0.00 0.00 0.00 179.25 180.10 3k1q h LEU 127 N 0.00 0.69 -0.73 0.00 3.38 -0.64 -1.72 115.31 116.29 3k1q h LEU 127 Ca -0.00 0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3k1q h LEU 127 Cb 0.60 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3k1q h LEU 127 CO 0.04 0.23 -0.39 0.44 0.09 0.00 0.00 178.44 178.85 3k1q h ASP 128 N 0.67 0.00 -3.67 -0.43 5.19 -1.60 -3.44 116.42 113.14 3k1q h ASP 128 Ca 0.57 0.00 -0.66 0.00 -0.62 0.00 0.00 57.03 56.32 3k1q h ASP 128 Cb 1.02 0.00 -0.37 0.00 0.18 0.00 0.00 39.33 40.17 3k1q h ASP 128 CO -0.35 0.39 -0.81 0.21 -3.12 0.00 0.00 179.24 175.56 3k1q s ASN 129 N -6.42 4.08 -0.10 6.45 2.47 -0.65 -5.10 114.94 115.68 3k1q s ASN 129 Ca 0.01 -1.20 0.02 0.00 0.42 0.00 0.00 52.86 52.10 3k1q s ASN 129 Cb 0.10 -1.49 -0.02 0.00 -1.45 0.00 0.00 41.25 38.39 3k1q s ASN 129 CO 0.70 -0.15 -0.14 -2.16 -3.72 0.00 0.00 177.10 171.62 3k1q s PRO 130 N 1.18 3.01 -0.37 0.43 0.04 -1.26 -0.17 135.00 137.86 3k1q s PRO 130 Ca -0.06 -0.69 0.03 0.00 0.04 0.00 0.00 61.00 60.32 3k1q s PRO 130 Cb -0.18 -2.52 0.11 0.00 0.04 0.00 0.00 34.50 31.95 3k1q s PRO 130 CO -0.07 0.38 0.09 0.08 0.04 0.00 0.00 177.00 177.53 3k1q s VAL 131 N -0.10 2.12 0.08 -0.36 1.01 0.31 -4.90 120.40 118.57 3k1q s VAL 131 Ca -0.02 -2.39 -0.30 0.00 0.00 0.00 0.00 61.98 59.27 3k1q s VAL 131 Cb -0.14 -2.56 -0.06 0.00 0.00 0.00 0.00 36.38 33.63 3k1q s VAL 131 CO 0.04 -0.65 1.11 0.42 0.00 0.00 0.00 175.10 176.02 3k1q s THR 132 N 0.79 4.19 -0.98 3.92 -4.23 -1.26 -3.30 115.64 114.78 3k1q s THR 132 Ca 0.12 1.67 -0.13 0.00 -1.18 0.00 0.00 61.69 62.16 3k1q s THR 132 Cb -0.20 -4.07 0.01 0.00 1.34 0.00 0.00 72.50 69.58 3k1q s THR 132 CO -0.09 0.18 0.67 -3.20 -0.54 0.00 0.00 174.62 171.65 3k1q n ASN 133 N 3.41 -5.09 -0.01 3.99 5.15 -1.24 -4.95 115.26 116.52 3k1q n ASN 133 Ca 0.06 -0.97 0.00 0.00 -0.60 0.00 0.00 54.58 53.07 3k1q n ASN 133 Cb 0.47 -2.40 0.00 0.00 -0.53 0.00 0.00 39.78 37.33 3k1q n ASN 133 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3k1q n GLY 134 N -1.79 1.88 3.12 8.20 0.00 -0.49 -4.87 105.19 111.24 3k1q n GLY 134 Ca -0.19 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 3k1q n GLY 134 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k1q s VAL 135 N 4.59 0.01 0.36 1.61 -7.23 -1.26 -1.22 120.40 117.26 3k1q s VAL 135 Ca 0.00 -0.05 0.09 0.00 -1.81 0.00 0.00 61.98 60.21 3k1q s VAL 135 Cb 0.00 -0.35 -0.06 0.00 0.56 0.00 0.00 36.38 36.53 3k1q s VAL 135 CO 0.00 -0.03 -0.01 0.72 -0.31 0.00 0.00 175.10 175.48 3k1q s PHE 136 N 0.00 2.50 0.00 2.82 -0.12 0.43 -0.62 117.98 123.00 3k1q s PHE 136 Ca -0.01 -0.52 0.02 0.00 -0.05 0.00 0.00 56.93 56.36 3k1q s PHE 136 Cb -0.02 -1.56 -0.01 0.00 -0.63 0.00 0.00 43.02 40.80 3k1q s PHE 136 CO 0.01 0.48 -0.05 -1.50 -0.05 0.00 0.00 175.22 174.10 3k1q s ILE 137 N -2.60 0.39 0.07 -4.49 2.07 -1.26 -1.05 121.20 114.34 3k1q s ILE 137 Ca 0.35 -0.37 -0.17 0.00 -1.41 0.00 0.00 60.65 59.05 3k1q s ILE 137 Cb 0.03 -0.37 -0.06 0.00 0.13 0.00 0.00 42.46 42.19 3k1q s ILE 137 CO 0.18 0.01 0.53 -0.55 -1.91 0.00 0.00 174.94 173.20 3k1q s SER 138 N -0.39 6.96 0.22 4.50 0.15 -1.26 -4.42 113.70 119.45 3k1q s SER 138 Ca -0.01 1.16 -0.19 0.00 0.70 0.00 0.00 55.95 57.61 3k1q s SER 138 Cb -0.03 -2.32 0.20 0.00 -1.71 0.00 0.00 66.02 62.16 3k1q s SER 138 CO -0.00 0.25 1.55 0.71 1.20 0.00 0.00 173.24 176.96 3k1q h THR 139 N 3.42 0.02 -0.14 6.45 1.35 -1.90 0.58 112.91 122.69 3k1q h THR 139 Ca -0.50 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.41 3k1q h THR 139 Cb 1.21 0.02 -0.07 0.00 -1.73 0.00 0.00 68.15 67.58 3k1q h THR 139 CO 0.63 0.00 -0.34 0.58 -0.25 0.00 0.00 175.52 176.14 3k1q h VAL 140 N -0.02 0.25 -0.04 6.82 2.07 -1.93 0.81 116.25 124.22 3k1q h VAL 140 Ca 0.32 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.85 3k1q h VAL 140 Cb 0.58 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3k1q h VAL 140 CO -0.95 0.00 -0.03 1.56 0.02 0.00 0.00 177.57 178.17 3k1q h GLN 141 N -0.41 -0.04 -0.91 1.57 4.20 -1.66 -1.72 115.11 116.14 3k1q h GLN 141 Ca 0.10 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.89 3k1q h GLN 141 Cb 0.56 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.29 3k1q h GLN 141 CO -0.37 -0.02 0.59 -0.84 -0.67 0.00 0.00 178.83 177.51 3k1q h ILE 142 N -0.04 1.02 -0.36 2.54 3.07 0.19 0.43 117.51 124.36 3k1q h ILE 142 Ca 0.03 -0.33 0.05 0.00 1.55 0.00 0.00 64.86 66.16 3k1q h ILE 142 Cb 0.07 -0.04 -0.08 0.00 -0.27 0.00 0.00 36.82 36.50 3k1q h ILE 142 CO -0.06 0.18 -0.52 -0.03 -1.05 0.00 0.00 178.15 176.67 3k1q h MET 143 N 0.97 -0.40 -0.37 0.16 4.05 -0.31 0.16 114.93 119.18 3k1q h MET 143 Ca 0.41 0.03 -0.15 0.00 -0.28 0.00 0.00 59.70 59.71 3k1q h MET 143 Cb 0.31 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 3k1q h MET 143 CO -0.17 -0.27 -0.35 -0.91 0.23 0.00 0.00 176.91 175.45 3k1q h ASN 144 N -0.41 0.91 0.36 1.39 4.21 -0.32 -1.03 115.58 120.68 3k1q h ASN 144 Ca 0.08 -0.40 -0.00 0.00 1.21 0.00 0.00 56.30 57.19 3k1q h ASN 144 Cb 0.61 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 37.53 3k1q h ASN 144 CO -0.56 1.17 -0.43 0.25 -1.29 0.00 0.00 177.43 176.57 3k1q h LEU 145 N 0.72 -1.19 -0.55 1.61 5.85 -0.84 -1.97 115.31 118.95 3k1q h LEU 145 Ca 0.07 0.11 0.11 0.00 0.84 0.00 0.00 57.88 59.01 3k1q h LEU 145 Cb 0.92 0.41 -0.10 0.00 0.37 0.00 0.00 40.66 42.26 3k1q h LEU 145 CO 0.08 -0.56 -0.04 1.56 -0.34 0.00 0.00 178.44 179.14 3k1q h GLN 146 N -0.82 0.08 -0.67 1.25 4.20 -0.39 -1.40 115.11 117.35 3k1q h GLN 146 Ca -0.03 -0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.79 3k1q h GLN 146 Cb 0.75 -0.02 -0.12 0.00 0.30 0.00 0.00 27.48 28.39 3k1q h GLN 146 CO -0.11 0.05 -0.35 -0.09 -0.67 0.00 0.00 178.83 177.66 3k1q h ARG 147 N 0.08 -0.13 0.04 1.46 2.43 -1.03 -0.06 114.38 117.17 3k1q h ARG 147 Ca 0.28 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.48 3k1q h ARG 147 Cb 0.43 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 3k1q h ARG 147 CO -0.50 -0.09 -0.24 1.79 -1.51 0.00 0.00 179.97 179.43 3k1q h THR 148 N -0.14 0.46 -0.84 0.20 1.35 -0.59 -1.77 112.91 111.58 3k1q h THR 148 Ca 0.25 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 66.16 3k1q h THR 148 Cb 0.56 0.46 -0.06 0.00 -1.73 0.00 0.00 68.15 67.38 3k1q h THR 148 CO -0.74 0.00 0.53 0.40 -0.25 0.00 0.00 175.52 175.46 3k1q h ILE 149 N -0.40 1.07 -0.90 6.82 2.04 -1.02 -0.11 117.51 125.03 3k1q h ILE 149 Ca 0.05 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 3k1q h ILE 149 Cb 0.46 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 3k1q h ILE 149 CO -0.18 0.18 0.51 0.00 0.00 0.00 0.00 178.15 178.66 3k1q h ALA 150 N 1.38 1.15 -0.49 1.87 0.00 -0.88 -1.50 119.26 120.79 3k1q h ALA 150 Ca 0.35 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 3k1q h ALA 150 Cb 0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3k1q h ALA 150 CO -0.15 0.64 -0.18 0.00 0.00 0.00 0.00 179.25 179.56 3k1q h ALA 151 N 1.28 0.75 -0.04 0.00 0.00 -0.62 0.27 119.26 120.90 3k1q h ALA 151 Ca 0.32 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3k1q h ALA 151 Cb -0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3k1q h ALA 151 CO -0.05 0.67 0.02 0.00 0.00 0.00 0.00 179.25 179.89 3k1q h ARG 152 N 0.85 0.05 -0.18 0.00 3.08 -0.52 0.79 114.38 118.44 3k1q h ARG 152 Ca 0.12 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.19 3k1q h ARG 152 Cb 0.74 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 3k1q h ARG 152 CO 0.06 0.03 0.05 0.52 -1.07 0.00 0.00 179.97 179.56 3k1q h MET 153 N 0.05 0.12 0.00 0.04 2.86 -0.47 -1.72 114.93 115.82 3k1q h MET 153 Ca 0.02 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3k1q h MET 153 Cb -0.00 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.63 3k1q h MET 153 CO -0.01 0.08 0.00 0.00 1.06 0.00 0.00 176.91 178.05 3k1q h ARG 154 N 0.13 0.00 0.00 1.72 3.08 -0.21 -2.13 114.38 116.96 3k1q h ARG 154 Ca 0.08 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.01 3k1q h ARG 154 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3k1q h ARG 154 CO -0.10 0.00 -0.58 0.22 -1.07 0.00 0.00 179.97 178.45 3k1q h ASP 155 N 0.00 0.00 0.76 7.04 3.58 0.00 -3.23 116.42 124.57 3k1q h ASP 155 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3k1q h ASP 155 Cb 0.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.37 3k1q h ASP 155 CO 0.00 0.58 -0.56 0.55 -2.88 0.00 0.00 179.24 176.92 3k1q n VAL 156 N -3.43 0.23 0.06 2.25 3.14 -0.76 -4.41 118.33 115.41 3k1q n VAL 156 Ca 0.00 -0.18 0.20 0.00 -2.96 0.00 0.00 64.34 61.40 3k1q n VAL 156 Cb 0.68 -0.03 0.73 0.00 -1.06 0.00 0.00 33.84 34.16 3k1q n VAL 156 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3k1q h ALA 157 N 2.68 2.27 0.10 1.55 0.00 -1.42 0.81 119.26 125.25 3k1q h ALA 157 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 3k1q h ALA 157 Cb 0.66 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.49 3k1q h ALA 157 CO 0.00 -0.60 -1.17 -0.07 0.00 0.00 0.00 179.25 177.41 3k1q h LEU 158 N 0.00 0.55 -0.04 0.00 3.38 -1.82 -3.18 115.31 114.19 3k1q h LEU 158 Ca 0.21 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3k1q h LEU 158 Cb 0.95 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 3k1q h LEU 158 CO -0.00 1.37 -0.03 -0.50 0.09 0.00 0.00 178.44 179.38 3k1q h TRP 159 N 0.15 0.11 -0.40 1.13 4.06 0.25 -1.81 115.95 119.44 3k1q h TRP 159 Ca -0.13 -0.03 0.08 0.00 2.06 0.00 0.00 58.89 60.87 3k1q h TRP 159 Cb 1.86 -0.02 -0.09 0.00 -1.00 0.00 0.00 29.16 29.91 3k1q h TRP 159 CO 0.07 0.50 -0.21 1.96 -3.56 0.00 0.00 178.44 177.20 3k1q h GLN 160 N -0.31 -0.13 -0.02 0.49 4.20 -0.91 0.21 115.11 118.62 3k1q h GLN 160 Ca 0.01 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.76 3k1q h GLN 160 Cb 0.47 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.23 3k1q h GLN 160 CO 0.01 -0.09 -0.28 -0.22 -0.67 0.00 0.00 178.83 177.58 3k1q h LYS 161 N -0.14 -0.40 -0.42 1.46 3.11 -1.49 -0.70 116.57 117.99 3k1q h LYS 161 Ca 0.19 0.03 0.03 0.00 -2.81 0.00 0.00 60.65 58.10 3k1q h LYS 161 Cb 0.44 0.09 -0.04 0.00 -1.00 0.00 0.00 32.23 31.72 3k1q h LYS 161 CO -0.48 -0.27 0.21 0.45 -2.81 0.00 0.00 179.45 176.55 3k1q h HIS 162 N -0.41 0.38 -0.46 1.91 3.86 -0.22 -0.64 115.15 119.57 3k1q h HIS 162 Ca 0.07 0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.38 3k1q h HIS 162 Cb 0.51 -0.11 -0.07 0.00 1.06 0.00 0.00 27.41 28.80 3k1q h HIS 162 CO -0.32 0.19 0.01 1.25 0.86 0.00 0.00 177.93 179.92 3k1q h LEU 163 N 0.42 -0.17 -0.90 2.43 5.85 0.12 -2.00 115.31 121.06 3k1q h LEU 163 Ca 0.18 0.11 0.19 0.00 0.84 0.00 0.00 57.88 59.19 3k1q h LEU 163 Cb 0.10 0.18 -0.11 0.00 0.37 0.00 0.00 40.66 41.20 3k1q h LEU 163 CO -0.13 -0.05 0.45 0.44 -0.34 0.00 0.00 178.44 178.81 3k1q h ASP 164 N 0.13 0.50 -0.33 1.25 3.32 -0.87 -2.63 116.42 117.79 3k1q h ASP 164 Ca 0.23 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 3k1q h ASP 164 Cb 0.34 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3k1q h ASP 164 CO -0.37 0.14 0.14 0.71 -1.72 0.00 0.00 179.24 178.14 3k1q h THR 165 N 0.56 1.18 -0.21 0.35 1.35 -0.35 0.30 112.91 116.09 3k1q h THR 165 Ca 0.53 -0.54 0.06 0.00 -0.55 0.00 0.00 66.41 65.90 3k1q h THR 165 Cb 0.87 0.92 -0.07 0.00 -1.73 0.00 0.00 68.15 68.14 3k1q h THR 165 CO -0.43 0.19 -0.31 0.00 -0.25 0.00 0.00 175.52 174.72 3k1q h ALA 166 N 0.99 -0.30 0.00 6.62 0.00 -1.34 0.41 119.26 125.64 3k1q h ALA 166 Ca 0.11 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3k1q h ALA 166 Cb 0.17 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3k1q h ALA 166 CO -0.01 -0.76 0.00 0.52 0.00 0.00 0.00 179.25 179.00 3k1q h MET 167 N -0.34 0.00 0.00 0.00 2.07 -1.09 -2.90 114.93 112.67 3k1q h MET 167 Ca 0.12 0.00 -0.34 0.00 -2.07 0.00 0.00 59.70 57.41 3k1q h MET 167 Cb 0.53 0.00 -0.06 0.00 -1.87 0.00 0.00 31.60 30.20 3k1q h MET 167 CO -0.40 0.00 -2.28 0.25 1.07 0.00 0.00 176.91 175.55 3k1q n THR 168 N -3.06 1.29 0.31 2.22 -2.24 0.05 -3.53 114.28 109.32 3k1q n THR 168 Ca -0.02 -0.76 0.16 0.00 -2.27 0.00 0.00 64.05 61.16 3k1q n THR 168 Cb 0.14 -0.59 0.81 0.00 -2.10 0.00 0.00 70.33 68.58 3k1q n THR 168 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 3k1q h MET 169 N 0.00 0.00 -1.36 -0.78 -1.53 0.03 -0.41 114.93 110.88 3k1q h MET 169 Ca -0.51 0.00 -0.41 0.00 -3.44 0.00 0.00 59.70 55.35 3k1q h MET 169 Cb 2.11 0.00 -0.28 0.00 -0.55 0.00 0.00 31.60 32.88 3k1q h MET 169 CO 0.02 0.00 -0.81 1.28 0.14 0.00 0.00 176.91 177.53 3k1q n LEU 170 N -2.98 -1.40 -4.39 3.39 4.77 -1.21 -5.09 117.00 110.07 3k1q n LEU 170 Ca -0.01 -3.96 -0.49 0.00 -0.03 0.00 0.00 56.01 51.52 3k1q n LEU 170 Cb 0.41 0.70 -0.13 0.00 -2.33 0.00 0.00 43.42 42.07 3k1q n LEU 170 CO 0.15 1.99 1.99 1.07 -1.33 0.00 0.00 177.39 181.26 3k1q n THR 171 N 2.01 0.01 -0.10 -5.08 5.66 -0.17 -4.88 114.28 111.74 3k1q n THR 171 Ca 0.19 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 3k1q n THR 171 Cb 0.55 -0.63 0.00 0.00 -1.55 0.00 0.00 70.33 68.70 3k1q n THR 171 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 3k1q n PRO 172 N 8.08 0.49 -3.93 1.09 -0.04 -1.24 -4.84 135.00 134.61 3k1q n PRO 172 Ca 0.59 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.72 3k1q n PRO 172 Cb 0.03 -1.25 -0.14 0.00 -0.04 0.00 0.00 33.50 32.10 3k1q n PRO 172 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k1q s ASP 173 N 1.80 4.93 -0.39 3.54 1.11 -1.26 -4.66 116.67 121.74 3k1q s ASP 173 Ca 0.00 -2.16 -0.00 0.00 0.18 0.00 0.00 52.55 50.57 3k1q s ASP 173 Cb 0.00 -1.70 0.11 0.00 1.07 0.00 0.00 42.92 42.40 3k1q s ASP 173 CO 0.00 -0.43 0.16 -0.63 1.18 0.00 0.00 175.17 175.45 3k1q s ILE 174 N 0.93 2.94 0.29 0.77 -1.09 -1.26 -4.93 121.20 118.84 3k1q s ILE 174 Ca 0.10 -2.20 0.36 0.00 -2.23 0.00 0.00 60.65 56.69 3k1q s ILE 174 Cb -0.21 -3.06 0.38 0.00 -1.58 0.00 0.00 42.46 38.00 3k1q s ILE 174 CO -0.06 -0.67 2.10 0.77 -1.23 0.00 0.00 174.94 175.85 3k1q h SER 175 N 7.85 0.00 -2.36 3.58 4.64 -1.92 -2.10 113.55 123.24 3k1q h SER 175 Ca -0.09 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.91 3k1q h SER 175 Cb 1.03 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.78 3k1q h SER 175 CO 0.64 0.00 -0.62 0.00 -0.87 0.00 0.00 176.83 175.97 3k1q s ALA 176 N -3.86 -0.36 0.00 5.18 0.00 -1.26 -4.72 121.76 116.74 3k1q s ALA 176 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.02 3k1q s ALA 176 Cb 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.72 3k1q s ALA 176 CO 0.40 -1.39 0.00 0.41 0.00 0.00 0.00 175.76 175.18 3k1q n GLY 177 N 5.32 1.63 3.64 0.00 0.00 -1.26 -4.82 105.19 109.69 3k1q n GLY 177 Ca -0.04 -0.70 -0.08 0.00 0.00 0.00 0.00 46.02 45.20 3k1q n GLY 177 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k1q s SER 178 N -4.00 -0.74 0.13 1.61 1.04 -1.26 0.39 113.70 110.87 3k1q s SER 178 Ca 0.00 1.28 0.10 0.00 0.48 0.00 0.00 55.95 57.80 3k1q s SER 178 Cb 0.00 1.30 -0.04 0.00 0.10 0.00 0.00 66.02 67.38 3k1q s SER 178 CO 0.00 -0.21 -0.23 0.00 0.98 0.00 0.00 173.24 173.78 3k1q s ALA 179 N 1.03 2.13 -0.14 5.32 0.00 -0.24 -5.02 121.76 124.84 3k1q s ALA 179 Ca -0.05 -1.40 -0.12 0.00 0.00 0.00 0.00 51.96 50.39 3k1q s ALA 179 Cb -0.05 -0.30 0.04 0.00 0.00 0.00 0.00 23.12 22.81 3k1q s ALA 179 CO -0.11 0.42 0.36 0.45 0.00 0.00 0.00 175.76 176.88 3k1q s SER 180 N -2.14 -0.38 0.08 0.00 0.15 -1.26 -3.27 113.70 106.88 3k1q s SER 180 Ca 0.12 0.73 -0.23 0.00 0.70 0.00 0.00 55.95 57.28 3k1q s SER 180 Cb -0.09 0.73 0.06 0.00 -1.71 0.00 0.00 66.02 65.00 3k1q s SER 180 CO 0.06 -0.13 0.54 0.00 1.20 0.00 0.00 173.24 174.91 3k1q n ASN 182 N 0.15 2.08 -0.14 0.00 5.15 -1.26 -4.07 115.26 117.17 3k1q n ASN 182 Ca -0.18 0.32 -0.01 0.00 -0.60 0.00 0.00 54.58 54.12 3k1q n ASN 182 Cb 0.62 -1.28 0.24 0.00 -0.53 0.00 0.00 39.78 38.83 3k1q n ASN 182 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 3k1q h TRP 183 N 13.00 0.84 -0.20 1.20 -0.00 -1.90 -1.87 115.95 127.02 3k1q h TRP 183 Ca -0.26 -0.03 0.06 0.00 -0.00 0.00 0.00 58.89 58.66 3k1q h TRP 183 Cb 1.31 -0.27 -0.07 0.00 -0.00 0.00 0.00 29.16 30.14 3k1q h TRP 183 CO 0.97 0.62 -0.27 0.87 -0.00 0.00 0.00 178.44 180.63 3k1q h LYS 184 N 0.85 -0.29 -0.53 2.65 1.57 -1.82 0.82 116.57 119.82 3k1q h LYS 184 Ca 0.21 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.11 3k1q h LYS 184 Cb 0.10 0.07 -0.10 0.00 0.08 0.00 0.00 32.23 32.37 3k1q h LYS 184 CO -0.03 -0.20 -0.15 0.77 -0.57 0.00 0.00 179.45 179.27 3k1q h SER 185 N -0.30 -0.56 0.77 0.86 0.02 -0.39 0.92 113.55 114.87 3k1q h SER 185 Ca 0.12 0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.20 3k1q h SER 185 Cb 0.49 0.35 0.01 0.00 0.14 0.00 0.00 62.40 63.39 3k1q h SER 185 CO -0.37 -0.19 -0.38 -0.07 -1.14 0.00 0.00 176.83 174.68 3k1q h LEU 186 N -0.03 -0.89 -0.76 5.07 3.38 -0.41 -1.45 115.31 120.23 3k1q h LEU 186 Ca 0.25 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.41 3k1q h LEU 186 Cb 0.41 0.23 -0.11 0.00 0.09 0.00 0.00 40.66 41.29 3k1q h LEU 186 CO -0.56 -0.63 0.25 -0.07 0.09 0.00 0.00 178.44 177.52 3k1q h LEU 187 N -1.04 0.16 -0.22 1.67 3.38 0.70 0.93 115.31 120.88 3k1q h LEU 187 Ca -0.11 0.13 -0.22 0.00 0.09 0.00 0.00 57.88 57.78 3k1q h LEU 187 Cb 0.80 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3k1q h LEU 187 CO 0.17 0.02 -0.86 0.00 0.09 0.00 0.00 178.44 177.86 3k1q h ALA 188 N 1.60 0.40 -0.63 1.53 0.00 -0.48 -0.90 119.26 120.78 3k1q h ALA 188 Ca 0.43 -0.66 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3k1q h ALA 188 Cb 0.72 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3k1q h ALA 188 CO -0.47 0.76 0.08 0.35 0.00 0.00 0.00 179.25 179.98 3k1q h PHE 189 N 0.32 1.10 -0.46 0.00 -0.00 -0.35 -2.28 116.94 115.28 3k1q h PHE 189 Ca -0.07 -0.15 0.08 0.00 -0.00 0.00 0.00 57.97 57.83 3k1q h PHE 189 Cb 1.48 -0.30 -0.10 0.00 -0.00 0.00 0.00 35.95 37.03 3k1q h PHE 189 CO 0.06 0.94 -0.37 0.00 -0.00 0.00 0.00 178.31 178.94 3k1q h ALA 190 N 1.11 -0.25 0.00 2.41 0.00 -0.53 0.13 119.26 122.13 3k1q h ALA 190 Ca 0.19 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3k1q h ALA 190 Cb 0.44 0.81 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3k1q h ALA 190 CO 0.01 -0.77 0.00 1.63 0.00 0.00 0.00 179.25 180.12 3k1q n LYS 191 N -5.42 0.09 0.08 0.00 5.02 -0.37 0.12 118.16 117.67 3k1q n LYS 191 Ca 0.01 0.19 0.06 0.00 -2.02 0.00 0.00 58.31 56.55 3k1q n LYS 191 Cb 0.35 -1.62 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 3k1q n LYS 191 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 3k1q h ASP 192 N 0.00 0.00 0.00 4.39 3.58 -1.07 -3.37 116.42 119.95 3k1q h ASP 192 Ca 0.00 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.19 3k1q h ASP 192 Cb 0.45 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.45 3k1q h ASP 192 CO 0.00 0.28 -1.96 -0.38 -2.88 0.00 0.00 179.24 174.30 3k1q n ILE 193 N -2.81 0.97 -1.76 2.25 2.08 0.42 -5.06 119.36 115.45 3k1q n ILE 193 Ca -0.04 -0.36 -0.40 0.00 0.56 0.00 0.00 62.75 62.51 3k1q n ILE 193 Cb 0.69 -1.13 0.02 0.00 -0.75 0.00 0.00 39.64 38.47 3k1q n ILE 193 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 3k1q n LEU 194 N -3.04 5.13 -4.71 1.39 4.77 0.32 -4.84 117.00 116.03 3k1q n LEU 194 Ca -0.30 1.09 -0.42 0.00 -0.03 0.00 0.00 56.01 56.35 3k1q n LEU 194 Cb 0.81 -1.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.28 3k1q n LEU 194 CO 0.16 -0.26 1.26 -2.84 -1.33 0.00 0.00 177.39 174.38 3k1q s PRO 195 N -2.51 4.21 0.31 3.23 0.02 -1.26 -4.89 135.00 134.11 3k1q s PRO 195 Ca 0.63 2.35 0.07 0.00 0.02 0.00 0.00 61.00 64.07 3k1q s PRO 195 Cb -0.45 -3.30 0.85 0.00 0.02 0.00 0.00 34.50 31.62 3k1q s PRO 195 CO 0.56 -0.64 1.68 -0.07 -0.33 0.00 0.00 177.00 178.20 3k1q h LEU 196 N 7.37 0.38 -0.86 -5.54 3.38 -1.96 -1.67 115.31 116.41 3k1q h LEU 196 Ca -0.43 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3k1q h LEU 196 Cb 1.20 0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.10 3k1q h LEU 196 CO 0.92 -0.05 0.00 0.47 0.09 0.00 0.00 178.44 179.87 3k1q n ASP 197 N -5.05 0.41 -4.77 -0.43 8.00 -1.26 -4.76 116.55 108.68 3k1q n ASP 197 Ca 0.25 0.66 -0.41 0.00 0.71 0.00 0.00 54.79 56.01 3k1q n ASP 197 Cb 0.77 -0.73 0.01 0.00 -0.02 0.00 0.00 41.12 41.14 3k1q n ASP 197 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3k1q s ASN 198 N -3.76 6.16 0.56 -2.24 -0.87 -0.63 -4.94 114.94 109.22 3k1q s ASN 198 Ca 0.00 3.01 0.27 0.00 -1.57 0.00 0.00 52.86 54.57 3k1q s ASN 198 Cb 0.06 -2.66 1.65 0.00 -0.02 0.00 0.00 41.25 40.27 3k1q s ASN 198 CO 0.20 -1.00 2.20 -0.07 -2.57 0.00 0.00 177.10 175.86 3k1q h LEU 199 N 2.74 0.00 -1.35 0.60 3.38 -1.89 -1.34 115.31 117.46 3k1q h LEU 199 Ca -0.51 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.47 3k1q h LEU 199 Cb 1.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 3k1q h LEU 199 CO 0.63 0.03 0.44 0.00 0.09 0.00 0.00 178.44 179.63 3k1q h LEU 201 N 0.90 0.00 -0.01 0.00 4.07 -1.54 -1.96 115.31 116.77 3k1q h LEU 201 Ca 0.25 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 58.01 3k1q h LEU 201 Cb -0.09 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.67 3k1q h LEU 201 CO -0.06 0.29 -0.76 0.71 -1.08 0.00 0.00 178.44 177.55 3k1q h THR 202 N 0.00 1.36 -1.12 0.22 1.35 -1.55 -3.38 112.91 109.79 3k1q h THR 202 Ca -0.00 -2.11 -0.64 0.00 -0.55 0.00 0.00 66.41 63.11 3k1q h THR 202 Cb 1.11 2.47 -0.35 0.00 -1.73 0.00 0.00 68.15 69.64 3k1q h THR 202 CO 0.04 0.63 0.10 -1.22 -0.25 0.00 0.00 175.52 174.83 3k1q n TYR 203 N -4.08 3.06 -0.10 4.73 0.53 0.28 -4.93 117.16 116.64 3k1q n TYR 203 Ca -0.10 -2.66 -0.07 0.00 -1.02 0.00 0.00 57.90 54.05 3k1q n TYR 203 Cb 0.74 -0.85 -0.01 0.00 -1.03 0.00 0.00 39.34 38.20 3k1q n TYR 203 CO 0.00 0.00 0.00 -1.35 -1.02 0.00 0.00 176.86 174.49 3k1q h PRO 204 N 2.28 -0.21 -0.22 -0.72 0.11 -1.54 -1.76 132.00 129.95 3k1q h PRO 204 Ca 0.48 0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.66 3k1q h PRO 204 Cb 0.97 0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.06 3k1q h PRO 204 CO 1.19 -0.14 -0.26 -0.97 -0.21 0.00 0.00 178.00 177.61 3k1q h ASN 205 N -0.21 -0.83 0.15 -2.05 -1.24 -1.91 -0.87 115.58 108.62 3k1q h ASN 205 Ca 0.17 0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.32 3k1q h ASN 205 Cb 0.49 0.38 0.00 0.00 0.73 0.00 0.00 38.32 39.92 3k1q h ASN 205 CO -0.48 -0.30 -0.07 -0.33 -1.29 0.00 0.00 177.43 174.96 3k1q h GLU 206 N -0.28 -0.20 -0.70 6.67 4.39 -1.82 -2.27 114.58 120.37 3k1q h GLU 206 Ca 0.13 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.87 3k1q h GLU 206 Cb 0.48 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.13 3k1q h GLU 206 CO -0.38 -0.13 0.44 0.74 -1.16 0.00 0.00 179.01 178.52 3k1q h PHE 207 N -0.21 0.82 -0.15 4.33 -1.00 -0.36 0.25 116.94 120.61 3k1q h PHE 207 Ca -0.02 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.79 3k1q h PHE 207 Cb 0.16 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.44 3k1q h PHE 207 CO -0.07 0.46 0.09 -0.92 -1.61 0.00 0.00 178.31 176.26 3k1q h TYR 208 N 0.85 0.16 -0.28 -0.55 3.20 -1.24 0.56 116.97 119.67 3k1q h TYR 208 Ca 0.29 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.23 3k1q h TYR 208 Cb 0.04 -0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.18 3k1q h TYR 208 CO -0.04 0.10 -0.21 -0.97 -1.64 0.00 0.00 178.16 175.39 3k1q h ASN 209 N 0.18 -0.69 0.47 -2.11 -1.24 -0.40 0.50 115.58 112.29 3k1q h ASN 209 Ca 0.06 0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.19 3k1q h ASN 209 Cb -0.01 0.34 -0.02 0.00 0.73 0.00 0.00 38.32 39.37 3k1q h ASN 209 CO -0.03 -0.25 -0.37 0.58 -1.29 0.00 0.00 177.43 176.08 3k1q h VAL 210 N -0.19 0.24 -0.88 2.57 2.07 -0.87 -0.04 116.25 119.14 3k1q h VAL 210 Ca 0.15 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.84 3k1q h VAL 210 Cb 0.42 0.24 -0.17 0.00 -1.52 0.00 0.00 31.29 30.27 3k1q h VAL 210 CO -0.40 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 176.96 3k1q h ALA 211 N -0.45 0.53 -0.61 1.67 0.00 0.76 -0.15 119.26 121.01 3k1q h ALA 211 Ca -0.05 0.33 0.03 0.00 0.00 0.00 0.00 54.91 55.22 3k1q h ALA 211 Cb 0.71 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 3k1q h ALA 211 CO -0.01 -0.42 0.40 0.82 0.00 0.00 0.00 179.25 180.04 3k1q h ILE 212 N -0.01 1.10 0.00 0.00 5.03 0.37 0.52 117.51 124.51 3k1q h ILE 212 Ca 0.41 -0.25 -0.06 0.00 -0.12 0.00 0.00 64.86 64.84 3k1q h ILE 212 Cb 0.64 0.29 -0.01 0.00 -3.03 0.00 0.00 36.82 34.71 3k1q h ILE 212 CO -0.91 0.14 -0.28 0.45 -0.68 0.00 0.00 178.15 176.87 3k1q h HIS 213 N 0.74 0.00 0.06 1.37 3.86 0.67 -3.03 115.15 118.83 3k1q h HIS 213 Ca 0.24 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 59.08 3k1q h HIS 213 Cb 0.04 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.47 3k1q h HIS 213 CO -0.00 0.28 -2.21 -2.13 0.86 0.00 0.00 177.93 174.73 3k1q n ARG 214 N -3.35 0.71 -3.47 2.45 0.63 0.18 -4.57 116.66 109.24 3k1q n ARG 214 Ca 0.01 0.21 -0.43 0.00 -0.92 0.00 0.00 57.85 56.71 3k1q n ARG 214 Cb 0.50 -1.62 -0.05 0.00 0.45 0.00 0.00 32.46 31.74 3k1q n ARG 214 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3k1q s TYR 215 N -2.54 3.61 0.60 -0.14 1.51 0.16 -4.64 117.35 115.90 3k1q s TYR 215 Ca -0.27 -2.19 0.29 0.00 -1.01 0.00 0.00 57.07 53.89 3k1q s TYR 215 Cb 0.08 -3.60 1.67 0.00 -0.11 0.00 0.00 41.96 40.00 3k1q s TYR 215 CO 0.70 -0.94 2.08 -1.35 -1.11 0.00 0.00 175.55 174.93 3k1q h PRO 216 N 7.62 0.00 0.00 -1.71 0.11 -1.84 -0.83 132.00 135.35 3k1q h PRO 216 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3k1q h PRO 216 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3k1q h PRO 216 CO 0.76 0.00 0.09 0.00 -0.21 0.00 0.00 178.00 178.64 3k1q n ALA 217 N -2.30 0.82 -2.67 -0.75 0.00 -1.26 -4.69 120.51 109.66 3k1q n ALA 217 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.23 3k1q n ALA 217 Cb 0.35 -0.81 -0.15 0.00 0.00 0.00 0.00 19.45 18.84 3k1q n ALA 217 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k1q s LEU 218 N -2.78 1.98 0.07 0.00 1.43 -0.32 -2.27 118.68 116.79 3k1q s LEU 218 Ca 0.00 -0.26 0.07 0.00 -1.03 0.00 0.00 54.13 52.91 3k1q s LEU 218 Cb 0.00 -0.75 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 3k1q s LEU 218 CO 0.00 0.16 -0.16 -0.54 0.23 0.00 0.00 176.35 176.04 3k1q s LYS 219 N -0.21 2.04 0.34 1.70 3.01 -1.12 -4.81 119.74 120.68 3k1q s LYS 219 Ca 0.03 -1.02 -0.28 0.00 -1.01 0.00 0.00 55.97 53.68 3k1q s LYS 219 Cb -0.07 -2.22 -0.12 0.00 -1.01 0.00 0.00 37.83 34.42 3k1q s LYS 219 CO -0.00 0.52 1.38 -0.35 0.51 0.00 0.00 175.35 177.42 3k1q n PRO 220 N 1.18 2.33 0.00 -1.68 -0.04 -1.26 -4.26 135.00 131.27 3k1q n PRO 220 Ca -0.15 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 3k1q n PRO 220 Cb 0.52 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 3k1q n PRO 220 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3k1q n GLY 221 N 0.91 0.00 0.29 0.55 0.00 -1.26 -3.65 105.19 102.04 3k1q n GLY 221 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 3k1q n GLY 221 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3k1q n ASN 222 N 0.00 1.79 -0.25 1.61 6.94 -1.25 -0.81 115.26 123.29 3k1q n ASN 222 Ca 0.00 -3.00 0.06 0.00 -0.02 0.00 0.00 54.58 51.62 3k1q n ASN 222 Cb 0.00 -0.40 0.18 0.00 -2.36 0.00 0.00 39.78 37.20 3k1q n ASN 222 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 3k1q h PRO 223 N 0.21 0.22 -3.72 -0.53 0.13 -1.87 -1.46 132.00 125.00 3k1q h PRO 223 Ca -0.01 -0.01 -0.60 0.00 -0.87 0.00 0.00 66.00 64.51 3k1q h PRO 223 Cb 1.11 -0.05 -0.40 0.00 0.13 0.00 0.00 31.00 31.79 3k1q h PRO 223 CO 0.00 0.15 -0.75 -0.51 -0.23 0.00 0.00 178.00 176.67 3k1q s ASP 224 N -5.22 4.14 0.63 1.44 1.01 -1.26 -5.05 116.67 112.36 3k1q s ASP 224 Ca -0.13 -1.84 0.25 0.00 0.71 0.00 0.00 52.55 51.55 3k1q s ASP 224 Cb 0.21 -1.03 1.29 0.00 1.01 0.00 0.00 42.92 44.41 3k1q s ASP 224 CO 0.75 -0.39 1.73 0.74 0.21 0.00 0.00 175.17 178.21 3k1q h THR 225 N 6.39 0.13 -0.99 -1.27 2.02 -1.53 0.13 112.91 117.79 3k1q h THR 225 Ca -0.11 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.17 3k1q h THR 225 Cb 1.01 0.50 -0.12 0.00 -1.74 0.00 0.00 68.15 67.79 3k1q h THR 225 CO 0.48 0.00 -0.57 0.11 0.37 0.00 0.00 175.52 175.92 3k1q h LYS 226 N 0.00 -0.01 -2.66 6.66 1.57 -1.94 -3.37 116.57 116.82 3k1q h LYS 226 Ca 0.12 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.31 3k1q h LYS 226 Cb 1.24 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.16 3k1q h LYS 226 CO -0.00 -0.01 -0.84 -0.51 -0.57 0.00 0.00 179.45 177.53 3k1q s LEU 227 N -10.55 1.78 0.12 2.94 1.43 0.36 -4.93 118.68 109.82 3k1q s LEU 227 Ca -0.12 -2.63 0.18 0.00 -1.03 0.00 0.00 54.13 50.52 3k1q s LEU 227 Cb 0.12 -0.65 -0.08 0.00 0.03 0.00 0.00 46.19 45.61 3k1q s LEU 227 CO 0.63 -0.25 0.94 1.55 0.23 0.00 0.00 176.35 179.45 3k1q h PRO 228 N 6.48 0.00 -5.96 1.29 0.13 -1.46 -3.36 132.00 129.13 3k1q h PRO 228 Ca 0.10 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.60 3k1q h PRO 228 Cb 0.93 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.00 3k1q h PRO 228 CO 0.38 0.25 -0.53 -0.51 -0.23 0.00 0.00 178.00 177.36 3k1q s ASP 229 N -5.78 6.06 0.13 1.44 1.01 -1.26 -4.04 116.67 114.23 3k1q s ASP 229 Ca -0.02 0.21 -0.07 0.00 0.71 0.00 0.00 52.55 53.38 3k1q s ASP 229 Cb 0.09 -1.81 -0.02 0.00 1.01 0.00 0.00 42.92 42.19 3k1q s ASP 229 CO 0.80 0.21 0.19 0.00 0.21 0.00 0.00 175.17 176.58 3k1q s ALA 230 N -1.38 0.15 -0.10 5.23 0.00 -1.26 -5.07 121.76 119.33 3k1q s ALA 230 Ca 0.30 -0.96 0.17 0.00 0.00 0.00 0.00 51.96 51.47 3k1q s ALA 230 Cb -0.13 0.72 -0.25 0.00 0.00 0.00 0.00 23.12 23.46 3k1q s ALA 230 CO 0.22 -0.56 0.23 1.04 0.00 0.00 0.00 175.76 176.69 3k1q n GLN 231 N -0.13 0.87 -3.37 0.00 1.13 -1.26 -4.96 117.38 109.67 3k1q n GLN 231 Ca -0.09 -0.09 -0.39 0.00 -1.94 0.00 0.00 57.00 54.49 3k1q n GLN 231 Cb 0.63 -1.45 -0.08 0.00 0.11 0.00 0.00 30.24 29.45 3k1q n GLN 231 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3k1q s ALA 232 N -2.85 3.56 0.00 -1.58 0.00 -1.26 -5.07 121.76 114.56 3k1q s ALA 232 Ca -0.08 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.28 3k1q s ALA 232 Cb 0.08 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.53 3k1q s ALA 232 CO 0.75 -0.43 0.00 0.72 0.00 0.00 0.00 175.76 176.80 3k1q n HIS 233 N 4.78 0.00 -0.07 0.00 8.25 -1.26 -5.15 115.22 121.77 3k1q n HIS 233 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 3k1q n HIS 233 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 3k1q n HIS 233 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3k1q n PRO 234 N 0.00 3.60 -0.02 -0.41 -0.02 -1.26 -4.99 135.00 131.91 3k1q n PRO 234 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 3k1q n PRO 234 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.39 3k1q n PRO 234 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3k1q h LEU 235 N 0.00 0.09 0.00 2.45 5.85 -2.01 -3.42 115.31 118.27 3k1q h LEU 235 Ca 0.00 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3k1q h LEU 235 Cb 0.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3k1q h LEU 235 CO 0.00 0.54 0.00 0.61 -0.34 0.00 0.00 178.44 179.25 3k1q n GLY 236 N 0.18 0.00 0.00 3.75 0.00 -1.26 -2.74 105.19 105.12 3k1q n GLY 236 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3k1q n GLY 236 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k1q n GLU 237 N -0.00 0.00 -0.06 1.61 4.71 -1.26 -1.03 120.64 124.61 3k1q n GLU 237 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 3k1q n GLU 237 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.40 3k1q n GLU 237 CO 0.00 0.00 0.00 -0.24 0.09 0.00 0.00 177.13 176.98 3k1q h VAL 238 N 0.00 0.00 -0.85 2.62 3.04 -1.88 -0.78 116.25 118.40 3k1q h VAL 238 Ca 0.00 0.00 0.24 0.00 -1.01 0.00 0.00 66.70 65.93 3k1q h VAL 238 Cb 0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 29.24 3k1q h VAL 238 CO 0.00 0.00 0.60 0.00 -1.01 0.00 0.00 177.57 177.16 3k1q h ALA 239 N -0.83 2.72 -0.37 3.17 0.00 -1.32 -1.69 119.26 120.94 3k1q h ALA 239 Ca 0.03 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3k1q h ALA 239 Cb 0.20 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3k1q h ALA 239 CO -0.21 -0.96 -0.22 0.78 0.00 0.00 0.00 179.25 178.63 3k1q h GLY 240 N 0.05 0.87 0.43 0.00 0.00 -1.13 -3.02 103.07 100.28 3k1q h GLY 240 Ca 0.41 -0.82 0.17 0.00 0.00 0.00 0.00 47.33 47.09 3k1q h GLY 240 CO -0.03 0.74 0.58 0.00 0.00 0.00 0.00 176.54 177.83 3k1q h ALA 241 N 0.78 2.00 0.00 3.60 0.00 -0.20 -1.39 119.26 124.05 3k1q h ALA 241 Ca 0.08 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3k1q h ALA 241 Cb 0.79 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3k1q h ALA 241 CO 0.06 -0.26 -0.28 0.74 0.00 0.00 0.00 179.25 179.51 3k1q h PHE 242 N 0.55 0.00 0.00 0.00 0.04 -1.57 -2.68 116.94 113.28 3k1q h PHE 242 Ca 0.46 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.23 3k1q h PHE 242 Cb 0.92 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.07 3k1q h PHE 242 CO -0.00 0.28 -0.20 0.09 -0.60 0.00 0.00 178.31 177.88 3k1q n ASN 243 N -3.68 0.23 -4.69 2.17 3.02 -0.60 -3.74 115.26 107.98 3k1q n ASN 243 Ca -0.01 0.22 -0.40 0.00 -0.03 0.00 0.00 54.58 54.36 3k1q n ASN 243 Cb 0.40 -0.22 -0.05 0.00 -0.61 0.00 0.00 39.78 39.29 3k1q n ASN 243 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k1q s ALA 244 N -3.01 3.45 0.15 5.41 0.00 -0.75 -4.87 121.76 122.14 3k1q s ALA 244 Ca 0.13 0.01 -0.34 0.00 0.00 0.00 0.00 51.96 51.75 3k1q s ALA 244 Cb 0.18 -3.07 -0.14 0.00 0.00 0.00 0.00 23.12 20.09 3k1q s ALA 244 CO 0.60 -0.41 1.53 0.00 0.00 0.00 0.00 175.76 177.48 3k1q n ALA 245 N 4.62 0.97 -2.23 0.00 0.00 -1.24 -4.78 120.51 117.84 3k1q n ALA 245 Ca 0.01 0.46 -0.21 0.00 0.00 0.00 0.00 53.44 53.69 3k1q n ALA 245 Cb 0.50 -2.30 -0.02 0.00 0.00 0.00 0.00 19.45 17.62 3k1q n ALA 245 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3k1q s THR 246 N 0.81 2.49 0.55 0.00 -4.23 -0.04 -5.02 115.64 110.20 3k1q s THR 246 Ca 0.79 -1.35 0.35 0.00 -1.18 0.00 0.00 61.69 60.31 3k1q s THR 246 Cb -0.72 -2.84 0.52 0.00 1.34 0.00 0.00 72.50 70.80 3k1q s THR 246 CO 0.40 0.00 1.81 0.77 -0.54 0.00 0.00 174.62 177.05 3k1q h SER 247 N 0.95 0.00 0.00 3.99 4.64 -1.96 -3.21 113.55 117.95 3k1q h SER 247 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3k1q h SER 247 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3k1q h SER 247 CO 0.57 0.00 -0.88 -0.62 -0.87 0.00 0.00 176.83 175.02 3k1q n GLU 248 N -4.11 2.37 -4.93 4.77 4.71 -1.26 -5.05 120.64 117.14 3k1q n GLU 248 Ca 0.23 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 57.07 3k1q n GLU 248 Cb 1.16 -0.94 -0.14 0.00 -1.01 0.00 0.00 31.44 30.51 3k1q n GLU 248 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3k1q s VAL 249 N -1.83 2.49 0.00 2.62 0.11 -1.21 -4.80 120.40 117.77 3k1q s VAL 249 Ca 0.00 -1.13 0.00 0.00 -2.93 0.00 0.00 61.98 57.92 3k1q s VAL 249 Cb 0.00 -1.97 0.00 0.00 -1.53 0.00 0.00 36.38 32.88 3k1q s VAL 249 CO 0.00 0.46 0.00 0.61 -3.33 0.00 0.00 175.10 172.84 3k1q n GLY 250 N 1.98 -1.10 3.30 6.54 0.00 -1.26 -0.86 105.19 113.79 3k1q n GLY 250 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 3k1q n GLY 250 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k1q s SER 251 N -2.47 3.91 0.14 1.61 0.15 -1.26 -3.63 113.70 112.14 3k1q s SER 251 Ca 0.00 -0.42 -0.20 0.00 0.70 0.00 0.00 55.95 56.03 3k1q s SER 251 Cb 0.00 -1.62 -0.01 0.00 -1.71 0.00 0.00 66.02 62.68 3k1q s SER 251 CO 0.00 0.07 1.69 -0.07 1.20 0.00 0.00 173.24 176.12 3k1q h LEU 252 N 7.43 -0.31 -0.76 3.45 4.07 -1.87 -2.58 115.31 124.73 3k1q h LEU 252 Ca -0.35 0.08 0.10 0.00 0.08 0.00 0.00 57.88 57.79 3k1q h LEU 252 Cb 1.18 0.18 -0.07 0.00 1.08 0.00 0.00 40.66 43.03 3k1q h LEU 252 CO 0.58 -0.12 0.41 -0.37 -1.08 0.00 0.00 178.44 177.86 3k1q h VAL 253 N -0.06 0.86 0.00 1.22 -1.51 -1.96 -2.59 116.25 112.21 3k1q h VAL 253 Ca 0.11 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 3k1q h VAL 253 Cb 0.23 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 29.52 3k1q h VAL 253 CO -0.25 0.12 0.00 0.61 -1.23 0.00 0.00 177.57 176.82 3k1q n GLY 254 N -1.31 -2.96 0.37 5.19 0.00 -1.13 -0.78 105.19 104.58 3k1q n GLY 254 Ca 0.12 0.36 0.13 0.00 0.00 0.00 0.00 46.02 46.63 3k1q n GLY 254 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k1q h SER 255 N 0.00 0.57 0.15 1.61 4.64 -1.53 0.16 113.55 119.14 3k1q h SER 255 Ca 0.00 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 3k1q h SER 255 Cb 0.00 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3k1q h SER 255 CO 0.00 0.29 -0.07 -1.28 -0.87 0.00 0.00 176.83 174.90 3k1q h SER 256 N 0.61 -0.17 -0.07 4.97 0.87 -1.29 -0.51 113.55 117.95 3k1q h SER 256 Ca 0.42 -0.21 0.04 0.00 -1.23 0.00 0.00 61.79 60.81 3k1q h SER 256 Cb 0.76 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.71 3k1q h SER 256 CO -0.18 0.12 -0.24 0.28 -0.53 0.00 0.00 176.83 176.29 3k1q h SER 257 N -0.47 -0.72 0.04 6.23 0.02 -0.49 -0.97 113.55 117.19 3k1q h SER 257 Ca -0.02 0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3k1q h SER 257 Cb 0.37 0.31 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 3k1q h SER 257 CO 0.03 -0.29 -0.35 0.74 -1.14 0.00 0.00 176.83 175.82 3k1q h THR 258 N -0.33 0.00 -0.80 -2.27 2.02 -0.63 -0.87 112.91 110.03 3k1q h THR 258 Ca 0.08 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.36 3k1q h THR 258 Cb 0.45 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.78 3k1q h THR 258 CO -0.26 0.00 0.44 -0.07 0.37 0.00 0.00 175.52 175.99 3k1q h LEU 259 N -0.47 0.60 -0.71 2.58 3.38 -0.78 -2.18 115.31 117.72 3k1q h LEU 259 Ca 0.00 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3k1q h LEU 259 Cb 0.49 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3k1q h LEU 259 CO -0.22 0.33 0.36 0.28 0.09 0.00 0.00 178.44 179.29 3k1q h SER 260 N 0.72 0.92 -1.00 -0.43 0.02 -1.01 -1.17 113.55 111.60 3k1q h SER 260 Ca 0.39 -0.12 0.11 0.00 -0.84 0.00 0.00 61.79 61.33 3k1q h SER 260 Cb 0.39 -0.24 -0.08 0.00 0.14 0.00 0.00 62.40 62.62 3k1q h SER 260 CO -0.26 0.78 0.63 1.56 -1.14 0.00 0.00 176.83 178.40 3k1q h GLN 261 N 0.99 0.99 0.22 3.45 4.20 -0.67 -0.25 115.11 124.04 3k1q h GLN 261 Ca 0.25 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 3k1q h GLN 261 Cb 0.09 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.65 3k1q h GLN 261 CO -0.03 0.66 -0.11 0.00 -0.67 0.00 0.00 178.83 178.68 3k1q h ALA 262 N 1.52 -0.30 -0.46 3.87 0.00 -0.89 -2.16 119.26 120.85 3k1q h ALA 262 Ca 0.48 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.34 3k1q h ALA 262 Cb 0.43 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 3k1q h ALA 262 CO -0.25 -0.62 -0.50 0.82 0.00 0.00 0.00 179.25 178.70 3k1q h ILE 263 N -0.39 0.00 0.00 0.00 2.04 -0.89 -0.88 117.51 117.39 3k1q h ILE 263 Ca -0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 3k1q h ILE 263 Cb 0.30 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 3k1q h ILE 263 CO 0.05 0.00 -0.11 0.77 0.00 0.00 0.00 178.15 178.86 3k1q h SER 264 N -0.29 0.00 -0.63 1.72 4.64 -1.00 0.35 113.55 118.33 3k1q h SER 264 Ca 0.08 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.31 3k1q h SER 264 Cb 0.50 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 3k1q h SER 264 CO -0.58 0.11 0.07 0.71 -0.87 0.00 0.00 176.83 176.26 3k1q h THR 265 N 0.00 1.26 -0.83 2.95 1.35 -1.10 -1.52 112.91 115.03 3k1q h THR 265 Ca -0.00 -1.07 0.05 0.00 -0.55 0.00 0.00 66.41 64.83 3k1q h THR 265 Cb 0.19 0.69 -0.05 0.00 -1.73 0.00 0.00 68.15 67.25 3k1q h THR 265 CO 0.01 0.40 0.52 0.24 -0.25 0.00 0.00 175.52 176.44 3k1q h MET 266 N 1.00 0.95 -0.58 4.72 2.07 0.97 -1.62 114.93 122.45 3k1q h MET 266 Ca 0.19 -0.06 0.09 0.00 -2.07 0.00 0.00 59.70 57.86 3k1q h MET 266 Cb 0.48 -0.21 -0.07 0.00 -1.87 0.00 0.00 31.60 29.92 3k1q h MET 266 CO 0.02 0.63 0.19 0.00 1.07 0.00 0.00 176.91 178.82 3k1q h ALA 267 N 1.37 0.73 -0.01 6.32 0.00 -0.55 -2.08 119.26 125.04 3k1q h ALA 267 Ca 0.34 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 55.21 3k1q h ALA 267 Cb 0.09 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3k1q h ALA 267 CO -0.14 -0.23 -0.65 0.78 0.00 0.00 0.00 179.25 179.01 3k1q h GLY 268 N 0.35 0.03 2.00 0.00 0.00 -1.13 -2.80 103.07 101.52 3k1q h GLY 268 Ca 0.29 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.53 3k1q h GLY 268 CO -0.32 0.04 -0.24 1.70 0.00 0.00 0.00 176.54 177.72 3k1q h LYS 269 N 0.02 0.00 -3.26 4.80 3.64 -0.90 -3.47 116.57 117.40 3k1q h LYS 269 Ca -0.01 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.07 3k1q h LYS 269 Cb 1.15 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 3k1q h LYS 269 CO 0.09 0.24 -0.38 -3.47 -2.27 0.00 0.00 179.45 173.66 3k1q n ASP 270 N -3.49 -4.53 0.00 4.20 2.03 -0.82 -4.49 116.55 109.45 3k1q n ASP 270 Ca -0.00 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.46 3k1q n ASP 270 Cb 0.41 -3.85 0.00 0.00 -0.72 0.00 0.00 41.12 36.96 3k1q n ASP 270 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3k1q n LEU 271 N -2.77 0.00 -0.29 -2.67 4.32 -1.24 -3.91 117.00 110.44 3k1q n LEU 271 Ca -0.18 0.00 0.20 0.00 -0.02 0.00 0.00 56.01 56.01 3k1q n LEU 271 Cb 0.62 0.00 0.37 0.00 -1.62 0.00 0.00 43.42 42.79 3k1q n LEU 271 CO 0.21 0.00 0.79 0.47 -1.22 0.00 0.00 177.39 177.65 3k1q n ASP 272 N 0.00 0.09 0.00 -1.43 8.00 -1.26 -2.98 116.55 118.97 3k1q n ASP 272 Ca 0.00 1.45 0.00 0.00 0.71 0.00 0.00 54.79 56.95 3k1q n ASP 272 Cb 0.00 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 3k1q n ASP 272 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3k1q n LEU 273 N -5.10 0.00 0.20 0.64 4.32 -1.25 0.14 117.00 115.94 3k1q n LEU 273 Ca 0.26 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 56.31 3k1q n LEU 273 Cb 0.87 0.00 0.41 0.00 -1.62 0.00 0.00 43.42 43.09 3k1q n LEU 273 CO -0.03 0.00 0.74 0.40 -1.22 0.00 0.00 177.39 177.28 3k1q h ILE 274 N 0.00 0.94 -1.81 -0.08 1.08 -1.91 -3.37 117.51 112.36 3k1q h ILE 274 Ca 0.00 -1.29 -0.77 0.00 -0.39 0.00 0.00 64.86 62.42 3k1q h ILE 274 Cb 0.00 1.76 -0.22 0.00 -3.07 0.00 0.00 36.82 35.29 3k1q h ILE 274 CO 0.00 0.33 1.46 -0.62 -0.69 0.00 0.00 178.15 178.63 3k1q n GLU 275 N -3.71 4.79 -3.72 2.37 4.71 0.12 -2.94 120.64 122.26 3k1q n GLU 275 Ca -0.01 -4.05 -0.29 0.00 -0.01 0.00 0.00 57.16 52.79 3k1q n GLU 275 Cb 0.43 -2.49 -0.15 0.00 -1.01 0.00 0.00 31.44 28.22 3k1q n GLU 275 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3k1q s ALA 276 N -3.13 1.38 -0.18 0.62 0.00 -1.26 -4.97 121.76 114.22 3k1q s ALA 276 Ca 0.46 -1.46 -0.21 0.00 0.00 0.00 0.00 51.96 50.75 3k1q s ALA 276 Cb 0.22 -1.53 -0.22 0.00 0.00 0.00 0.00 23.12 21.59 3k1q s ALA 276 CO -0.15 -1.58 0.38 -0.44 0.00 0.00 0.00 175.76 173.97 3k1q h ASP 277 N 8.14 0.08 -3.44 0.00 3.32 -1.88 -0.95 116.42 121.68 3k1q h ASP 277 Ca -0.15 -0.67 -0.67 0.00 0.02 0.00 0.00 57.03 55.56 3k1q h ASP 277 Cb 1.03 -0.02 -0.15 0.00 0.22 0.00 0.00 39.33 40.40 3k1q h ASP 277 CO 0.45 1.44 -0.66 0.42 -1.72 0.00 0.00 179.24 179.17 3k1q s THR 278 N -2.36 4.02 -0.35 0.35 -4.23 -1.26 -4.74 115.64 107.07 3k1q s THR 278 Ca -0.25 -0.58 -0.17 0.00 -1.18 0.00 0.00 61.69 59.51 3k1q s THR 278 Cb 0.04 -2.75 -0.09 0.00 1.34 0.00 0.00 72.50 71.03 3k1q s THR 278 CO 0.64 0.43 1.11 -2.65 -0.54 0.00 0.00 174.62 173.62 3k1q n PRO 279 N 1.62 0.00 -3.82 3.99 -0.02 -1.26 -4.97 135.00 130.54 3k1q n PRO 279 Ca -0.16 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 60.96 3k1q n PRO 279 Cb 0.53 -0.68 -0.12 0.00 -0.02 0.00 0.00 33.50 33.21 3k1q n PRO 279 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3k1q s LEU 280 N 3.47 3.61 0.07 2.45 2.96 -1.15 -4.93 118.68 125.16 3k1q s LEU 280 Ca 0.58 -0.10 -0.31 0.00 -0.22 0.00 0.00 54.13 54.08 3k1q s LEU 280 Cb -0.62 -1.96 -0.09 0.00 0.50 0.00 0.00 46.19 44.02 3k1q s LEU 280 CO 0.26 0.02 1.79 -2.16 -1.32 0.00 0.00 176.35 174.94 3k1q s PRO 281 N 1.29 4.16 0.09 0.98 0.04 -1.26 0.12 135.00 140.43 3k1q s PRO 281 Ca 0.05 2.49 -0.09 0.00 0.04 0.00 0.00 61.00 63.49 3k1q s PRO 281 Cb -0.15 -3.75 0.06 0.00 0.04 0.00 0.00 34.50 30.70 3k1q s PRO 281 CO 0.04 -0.84 0.65 1.33 0.04 0.00 0.00 177.00 178.22 3k1q n VAL 282 N 4.97 -0.24 -0.34 -0.36 0.24 0.61 -1.53 118.33 121.69 3k1q n VAL 282 Ca 0.18 0.99 0.12 0.00 -2.04 0.00 0.00 64.34 63.58 3k1q n VAL 282 Cb 0.40 -1.28 0.33 0.00 -1.47 0.00 0.00 33.84 31.82 3k1q n VAL 282 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3k1q h SER 283 N 0.00 0.77 0.11 -1.34 4.64 -1.86 0.95 113.55 116.81 3k1q h SER 283 Ca 0.12 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 3k1q h SER 283 Cb 0.23 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3k1q h SER 283 CO -0.41 0.32 -0.05 0.58 -0.87 0.00 0.00 176.83 176.40 3k1q h VAL 284 N 0.78 1.11 0.01 0.95 2.07 -1.66 -3.34 116.25 116.16 3k1q h VAL 284 Ca 0.54 -0.99 -0.21 0.00 0.82 0.00 0.00 66.70 66.87 3k1q h VAL 284 Cb 0.82 1.72 0.02 0.00 -1.52 0.00 0.00 31.29 32.32 3k1q h VAL 284 CO -0.32 0.23 -0.81 0.15 0.02 0.00 0.00 177.57 176.85 3k1q h PHE 285 N -0.62 0.80 -3.25 1.57 3.57 -0.91 -3.45 116.94 114.66 3k1q h PHE 285 Ca -0.01 -0.44 -0.58 0.00 3.53 0.00 0.00 57.97 60.47 3k1q h PHE 285 Cb 0.49 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.07 3k1q h PHE 285 CO 0.07 1.27 0.51 0.99 -2.23 0.00 0.00 178.31 178.92 3k1q s THR 286 N -3.23 4.82 0.00 4.41 2.01 0.32 -5.03 115.64 118.94 3k1q s THR 286 Ca -0.12 1.75 0.00 0.00 0.31 0.00 0.00 61.69 63.63 3k1q s THR 286 Cb 0.05 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.37 3k1q s THR 286 CO 0.87 -0.04 0.00 -2.65 -0.69 0.00 0.00 174.62 172.11 3k1q n PRO 287 N 5.56 0.00 -3.31 4.92 -0.02 -1.26 -4.77 135.00 136.11 3k1q n PRO 287 Ca 0.07 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.17 3k1q n PRO 287 Cb 0.48 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.90 3k1q n PRO 287 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3k1q s SER 288 N -1.00 6.75 -0.01 2.55 0.15 -1.26 -5.09 113.70 115.79 3k1q s SER 288 Ca 0.00 0.90 0.01 0.00 0.70 0.00 0.00 55.95 57.56 3k1q s SER 288 Cb 0.00 -2.30 -0.04 0.00 -1.71 0.00 0.00 66.02 61.98 3k1q s SER 288 CO 0.00 0.05 0.00 -0.76 1.20 0.00 0.00 173.24 173.73 3k1q s LEU 289 N 0.30 3.53 0.15 3.45 1.43 -1.26 -5.15 118.68 121.13 3k1q s LEU 289 Ca 0.27 0.01 0.08 0.00 -1.03 0.00 0.00 54.13 53.46 3k1q s LEU 289 Cb -0.16 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 3k1q s LEU 289 CO 0.12 0.29 -0.10 0.00 0.23 0.00 0.00 176.35 176.89 3k1q s ALA 290 N -1.07 2.94 0.75 4.21 0.00 -1.26 -5.09 121.76 122.25 3k1q s ALA 290 Ca 0.19 -1.38 -0.15 0.00 0.00 0.00 0.00 51.96 50.62 3k1q s ALA 290 Cb -0.11 -0.80 -0.00 0.00 0.00 0.00 0.00 23.12 22.20 3k1q s ALA 290 CO 0.09 0.54 0.72 -2.30 0.00 0.00 0.00 175.76 174.81 3k1q n PRO 291 N 0.32 0.29 -4.30 0.00 -0.02 -1.26 -4.76 135.00 125.26 3k1q n PRO 291 Ca -0.12 0.15 -0.16 0.00 -2.02 0.00 0.00 63.50 61.35 3k1q n PRO 291 Cb 0.54 -2.01 -0.10 0.00 -0.02 0.00 0.00 33.50 31.91 3k1q n PRO 291 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3k1q s ARG 292 N -3.16 1.23 -0.18 -0.52 1.81 -0.54 -5.02 118.95 112.57 3k1q s ARG 292 Ca 0.68 -1.58 -0.00 0.00 -1.72 0.00 0.00 55.73 53.11 3k1q s ARG 292 Cb -0.33 -0.70 0.01 0.00 -0.45 0.00 0.00 34.95 33.47 3k1q s ARG 292 CO 0.56 0.01 -0.15 -1.12 -0.68 0.00 0.00 175.30 173.93 3k1q s SER 293 N -3.26 3.59 0.20 0.23 0.01 -1.26 -1.00 113.70 112.21 3k1q s SER 293 Ca 0.23 -0.52 0.08 0.00 1.31 0.00 0.00 55.95 57.04 3k1q s SER 293 Cb 0.04 -1.57 -0.05 0.00 0.21 0.00 0.00 66.02 64.65 3k1q s SER 293 CO 0.05 0.03 -0.14 -0.31 0.41 0.00 0.00 173.24 173.28 3k1q s TYR 294 N 1.15 1.68 -0.03 2.43 1.51 -0.33 -4.96 117.35 118.81 3k1q s TYR 294 Ca 0.01 -0.58 0.01 0.00 -1.01 0.00 0.00 57.07 55.50 3k1q s TYR 294 Cb -0.14 -0.79 -0.03 0.00 -0.11 0.00 0.00 41.96 40.89 3k1q s TYR 294 CO -0.06 0.34 -0.04 -0.98 -1.11 0.00 0.00 175.55 173.71 3k1q s ARG 295 N -3.62 2.74 0.00 -0.62 1.70 -1.26 -0.89 118.95 116.99 3k1q s ARG 295 Ca 0.22 -0.59 0.00 0.00 -0.47 0.00 0.00 55.73 54.89 3k1q s ARG 295 Cb -0.01 -2.62 0.00 0.00 -0.57 0.00 0.00 34.95 31.75 3k1q s ARG 295 CO 0.06 0.64 0.00 -2.30 -1.08 0.00 0.00 175.30 172.63 3k1q n PRO 296 N 1.78 0.00 0.00 3.89 -0.02 -1.26 -4.25 135.00 135.15 3k1q n PRO 296 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3k1q n PRO 296 Cb 0.53 -0.44 0.00 0.00 -0.02 0.00 0.00 33.50 33.57 3k1q n PRO 296 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k1q n ALA 297 N -3.00 0.00 -1.93 3.55 0.00 -1.26 -0.36 120.51 117.51 3k1q n ALA 297 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3k1q n ALA 297 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 3k1q n ALA 297 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3k1q n PHE 298 N 0.00 0.67 -1.26 0.00 3.01 -1.26 -5.04 117.46 113.58 3k1q n PHE 298 Ca 0.00 -1.52 -0.29 0.00 1.01 0.00 0.00 57.45 56.64 3k1q n PHE 298 Cb 0.00 -0.25 0.14 0.00 -0.01 0.00 0.00 39.48 39.36 3k1q n PHE 298 CO 0.00 0.00 0.00 -1.50 1.01 0.00 0.00 176.76 176.27 3k1q s ILE 299 N -3.01 2.56 -0.34 4.37 1.10 0.51 -5.02 121.20 121.37 3k1q s ILE 299 Ca 0.39 0.18 -0.01 0.00 -0.51 0.00 0.00 60.65 60.71 3k1q s ILE 299 Cb 0.38 -2.71 0.08 0.00 0.15 0.00 0.00 42.46 40.36 3k1q s ILE 299 CO -0.06 -0.24 0.07 -0.54 -2.11 0.00 0.00 174.94 172.06 3k1q s LYS 300 N -4.98 2.12 0.40 3.50 -0.14 -1.26 -4.96 119.74 114.42 3k1q s LYS 300 Ca 0.63 -1.56 0.27 0.00 -1.36 0.00 0.00 55.97 53.96 3k1q s LYS 300 Cb -0.17 -3.30 1.41 0.00 -1.68 0.00 0.00 37.83 34.08 3k1q s LYS 300 CO 0.57 -0.82 1.54 -2.30 -0.76 0.00 0.00 175.35 173.58 3k1q n PRO 301 N 4.54 -0.05 -0.36 -1.68 -0.02 -1.26 0.32 135.00 136.49 3k1q n PRO 301 Ca -0.07 1.29 -0.01 0.00 -2.02 0.00 0.00 63.50 62.68 3k1q n PRO 301 Cb 0.42 -2.44 0.12 0.00 -0.02 0.00 0.00 33.50 31.58 3k1q n PRO 301 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3k1q h GLU 302 N 0.00 1.25 0.00 -0.52 3.07 -1.93 -2.70 114.58 113.75 3k1q h GLU 302 Ca 0.85 -0.07 -0.25 0.00 -0.50 0.00 0.00 59.36 59.39 3k1q h GLU 302 Cb 2.55 -0.28 -0.04 0.00 -0.84 0.00 0.00 28.75 30.14 3k1q h GLU 302 CO -0.58 0.82 -1.70 -0.25 -1.40 0.00 0.00 179.01 175.90 3k1q n ASP 303 N -4.43 0.73 -4.40 1.42 8.00 0.15 -4.83 116.55 113.19 3k1q n ASP 303 Ca 0.12 0.34 -0.45 0.00 0.71 0.00 0.00 54.79 55.51 3k1q n ASP 303 Cb 0.04 0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.33 3k1q n ASP 303 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k1q s ALA 304 N -2.72 3.85 0.08 2.24 0.00 -0.84 -4.81 121.76 119.55 3k1q s ALA 304 Ca -0.05 -3.15 -0.15 0.00 0.00 0.00 0.00 51.96 48.61 3k1q s ALA 304 Cb 0.08 -3.83 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 3k1q s ALA 304 CO 0.82 -2.63 0.92 1.63 0.00 0.00 0.00 175.76 176.50 3k1q n LYS 305 N 5.14 -0.21 0.00 0.00 5.02 -1.26 -2.66 118.16 124.19 3k1q n LYS 305 Ca 0.22 0.90 0.14 0.00 -2.02 0.00 0.00 58.31 57.55 3k1q n LYS 305 Cb 0.46 -1.33 0.82 0.00 -0.02 0.00 0.00 35.03 34.96 3k1q n LYS 305 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 3k1q n TRP 306 N -4.20 0.00 -3.28 2.13 4.27 -1.26 -4.68 117.44 110.43 3k1q n TRP 306 Ca 0.01 0.00 -0.06 0.00 -3.89 0.00 0.00 57.50 53.56 3k1q n TRP 306 Cb 0.12 -0.01 -0.05 0.00 -1.36 0.00 0.00 31.31 30.01 3k1q n TRP 306 CO 0.00 0.00 0.00 -1.50 -2.29 0.00 0.00 177.69 173.90 3k1q s ILE 307 N -2.03 -0.72 0.00 -1.67 2.07 -1.09 0.53 121.20 118.30 3k1q s ILE 307 Ca 0.41 -0.18 0.00 0.00 -1.41 0.00 0.00 60.65 59.47 3k1q s ILE 307 Cb 0.19 -0.96 0.00 0.00 0.13 0.00 0.00 42.46 41.82 3k1q s ILE 307 CO 0.33 -0.19 0.00 0.00 -1.91 0.00 0.00 174.94 173.17 3k1q n ALA 308 N 5.37 0.00 -2.74 1.50 0.00 -0.85 -4.35 120.51 119.45 3k1q n ALA 308 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 3k1q n ALA 308 Cb 0.50 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.83 3k1q n ALA 308 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3k1q s GLU 309 N -1.95 0.71 0.52 0.00 0.41 -1.26 0.45 118.70 117.59 3k1q s GLU 309 Ca 0.00 -0.67 -0.22 0.00 -0.41 0.00 0.00 54.97 53.66 3k1q s GLU 309 Cb 0.00 -0.65 -0.06 0.00 -1.78 0.00 0.00 34.13 31.65 3k1q s GLU 309 CO 0.00 0.15 1.36 0.12 -0.49 0.00 0.00 175.26 176.40 3k1q s PHE 310 N -0.92 2.35 -0.10 1.61 5.36 -1.26 -4.90 117.98 120.12 3k1q s PHE 310 Ca -0.02 1.36 -0.05 0.00 -0.96 0.00 0.00 56.93 57.26 3k1q s PHE 310 Cb -0.08 -3.80 -0.04 0.00 -0.34 0.00 0.00 43.02 38.77 3k1q s PHE 310 CO 0.01 -2.82 0.10 0.54 -1.46 0.00 0.00 175.22 171.59 3k1q s ASN 311 N -0.90 6.03 0.48 6.13 4.22 -1.26 -4.32 114.94 125.32 3k1q s ASN 311 Ca 0.69 0.35 -0.23 0.00 -2.14 0.00 0.00 52.86 51.54 3k1q s ASN 311 Cb -0.40 -1.88 -0.08 0.00 1.28 0.00 0.00 41.25 40.17 3k1q s ASN 311 CO 0.48 0.39 1.09 -3.20 -2.04 0.00 0.00 177.10 173.82 3k1q n ASN 312 N 1.92 1.56 -1.11 3.54 5.15 -1.22 -4.59 115.26 120.51 3k1q n ASN 312 Ca -0.19 0.98 0.00 0.00 -0.60 0.00 0.00 54.58 54.77 3k1q n ASN 312 Cb 0.54 -1.42 0.00 0.00 -0.53 0.00 0.00 39.78 38.37 3k1q n ASN 312 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3k1q n SER 313 N -0.05 -1.99 0.00 1.20 7.64 -1.26 -4.94 113.62 114.22 3k1q n SER 313 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 3k1q n SER 313 Cb 0.42 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 3k1q n SER 313 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3k1q n SER 314 N 0.00 -0.04 -1.00 6.43 3.41 -1.26 -5.03 113.62 116.12 3k1q n SER 314 Ca 0.00 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 3k1q n SER 314 Cb 0.00 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 3k1q n SER 314 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3k1q n LEU 315 N -1.89 -1.34 -4.18 1.04 4.77 -0.47 -4.99 117.00 109.94 3k1q n LEU 315 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 3k1q n LEU 315 Cb 0.00 -0.67 -0.09 0.00 -2.33 0.00 0.00 43.42 40.33 3k1q n LEU 315 CO 0.00 0.00 -0.01 -0.63 -1.33 0.00 0.00 177.39 175.42 3k1q s ILE 316 N -0.12 4.03 0.00 -0.08 1.01 -0.93 -4.87 121.20 120.25 3k1q s ILE 316 Ca 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 60.65 58.55 3k1q s ILE 316 Cb 0.00 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.81 3k1q s ILE 316 CO 0.00 -0.80 0.00 0.54 0.00 0.00 0.00 174.94 174.68 3k1q n ARG 317 N 4.53 0.00 -2.77 2.79 3.00 -1.26 -0.51 116.66 122.43 3k1q n ARG 317 Ca -0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.39 3k1q n ARG 317 Cb 0.41 -0.15 -0.03 0.00 0.00 0.00 0.00 32.46 32.69 3k1q n ARG 317 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3k1q s LYS 318 N 0.00 3.77 -0.12 5.56 2.47 -1.26 -1.74 119.74 128.42 3k1q s LYS 318 Ca 0.00 0.51 0.03 0.00 -1.56 0.00 0.00 55.97 54.95 3k1q s LYS 318 Cb 0.00 -3.84 0.01 0.00 -1.46 0.00 0.00 37.83 32.54 3k1q s LYS 318 CO 0.00 -1.06 -0.22 0.95 0.16 0.00 0.00 175.35 175.18 3k1q s THR 319 N 3.67 1.98 0.15 3.43 -4.23 -0.98 -5.02 115.64 114.64 3k1q s THR 319 Ca 0.40 -0.95 -0.33 0.00 -1.18 0.00 0.00 61.69 59.63 3k1q s THR 319 Cb -0.11 -1.74 -0.13 0.00 1.34 0.00 0.00 72.50 71.86 3k1q s THR 319 CO 0.22 0.54 1.70 -0.11 -0.54 0.00 0.00 174.62 176.43 3k1q n LEU 320 N 3.90 3.58 -0.06 4.79 7.94 -1.26 -2.69 117.00 133.20 3k1q n LEU 320 Ca -0.20 1.05 -0.06 0.00 -1.11 0.00 0.00 56.01 55.70 3k1q n LEU 320 Cb 0.52 -1.49 -0.10 0.00 0.53 0.00 0.00 43.42 42.88 3k1q n LEU 320 CO 0.27 -0.03 -0.89 0.35 -1.11 0.00 0.00 177.39 175.97 3k1q n THR 321 N 3.99 0.82 -4.00 1.96 -2.24 -0.55 -4.92 114.28 109.34 3k1q n THR 321 Ca 0.17 -0.52 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 3k1q n THR 321 Cb 0.32 -0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 67.89 3k1q n THR 321 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1q n TYR 322 N -2.44 -1.41 -1.66 4.78 9.36 -1.00 -5.00 117.16 119.79 3k1q n TYR 322 Ca -0.19 -2.12 -0.40 0.00 3.32 0.00 0.00 57.90 58.51 3k1q n TYR 322 Cb 0.88 0.52 -0.03 0.00 -0.63 0.00 0.00 39.34 40.08 3k1q n TYR 322 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 3k1q s SER 323 N -2.97 5.04 -1.40 2.98 0.01 -1.26 -1.75 113.70 114.36 3k1q s SER 323 Ca 0.26 1.34 -0.09 0.00 1.31 0.00 0.00 55.95 58.77 3k1q s SER 323 Cb -0.01 -2.51 0.06 0.00 0.21 0.00 0.00 66.02 63.77 3k1q s SER 323 CO 0.19 -2.37 0.61 0.61 0.41 0.00 0.00 173.24 172.68 3k1q n GLY 324 N 5.83 -0.49 3.00 3.44 0.00 -1.26 -4.98 105.19 110.73 3k1q n GLY 324 Ca 0.31 0.12 -0.16 0.00 0.00 0.00 0.00 46.02 46.29 3k1q n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1q s ALA 325 N -3.05 0.57 -0.00 4.61 0.00 -0.71 -5.07 121.76 118.10 3k1q s ALA 325 Ca 0.44 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.02 3k1q s ALA 325 Cb -0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 3k1q s ALA 325 CO 0.54 0.11 -0.06 0.95 0.00 0.00 0.00 175.76 177.29 3k1q s THR 326 N -0.40 0.47 -0.02 0.00 -4.23 0.14 -1.48 115.64 110.12 3k1q s THR 326 Ca 0.00 -0.29 0.03 0.00 -1.18 0.00 0.00 61.69 60.25 3k1q s THR 326 Cb -0.04 -0.40 -0.00 0.00 1.34 0.00 0.00 72.50 73.40 3k1q s THR 326 CO -0.00 0.11 -0.09 -0.47 -0.54 0.00 0.00 174.62 173.62 3k1q s TYR 327 N -0.20 0.89 -0.66 3.99 5.04 -1.10 -3.24 117.35 122.06 3k1q s TYR 327 Ca 0.02 -0.20 -0.23 0.00 -2.44 0.00 0.00 57.07 54.22 3k1q s TYR 327 Cb -0.03 -0.61 0.07 0.00 0.35 0.00 0.00 41.96 41.74 3k1q s TYR 327 CO -0.00 -0.06 1.00 0.95 -1.34 0.00 0.00 175.55 176.10 3k1q s THR 328 N 0.01 4.26 0.21 4.34 -4.23 -1.26 -2.31 115.64 116.66 3k1q s THR 328 Ca 0.00 -0.26 0.32 0.00 -1.18 0.00 0.00 61.69 60.57 3k1q s THR 328 Cb -0.06 -4.71 0.35 0.00 1.34 0.00 0.00 72.50 69.42 3k1q s THR 328 CO 0.00 -1.49 2.00 1.62 -0.54 0.00 0.00 174.62 176.21 3k1q h VAL 329 N 5.98 0.21 -3.09 2.29 3.04 -1.52 -3.48 116.25 119.67 3k1q h VAL 329 Ca -0.29 -0.60 -0.37 0.00 -1.01 0.00 0.00 66.70 64.43 3k1q h VAL 329 Cb 1.07 1.49 -0.03 0.00 -2.01 0.00 0.00 31.29 31.82 3k1q h VAL 329 CO 1.19 0.07 -0.47 1.67 -1.01 0.00 0.00 177.57 179.02 3k1q n GLN 330 N -3.23 -1.81 -1.45 4.17 -0.06 0.33 -4.37 117.38 110.97 3k1q n GLN 330 Ca -0.00 0.91 -0.46 0.00 -2.00 0.00 0.00 57.00 55.45 3k1q n GLN 330 Cb 0.30 -5.54 -0.10 0.00 -4.06 0.00 0.00 30.24 20.84 3k1q n GLN 330 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 3k1q n LEU 331 N -2.91 1.25 0.00 1.69 7.94 -0.27 -3.92 117.00 120.78 3k1q n LEU 331 Ca -0.22 0.21 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 3k1q n LEU 331 Cb 0.66 -1.13 0.00 0.00 0.53 0.00 0.00 43.42 43.48 3k1q n LEU 331 CO 0.26 -0.89 0.00 0.61 -1.11 0.00 0.00 177.39 176.26 3k1q n GLY 332 N 6.61 0.72 3.55 -3.96 0.00 -1.26 -1.37 105.19 109.49 3k1q n GLY 332 Ca 0.52 0.41 -0.29 0.00 0.00 0.00 0.00 46.02 46.66 3k1q n GLY 332 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k1q s PRO 333 N 1.92 2.15 -1.28 1.61 0.04 -1.26 -3.45 135.00 134.73 3k1q s PRO 333 Ca 0.00 0.67 -0.05 0.00 0.04 0.00 0.00 61.00 61.66 3k1q s PRO 333 Cb 0.00 -4.68 0.01 0.00 0.04 0.00 0.00 34.50 29.86 3k1q s PRO 333 CO 0.00 -3.51 1.10 0.41 0.04 0.00 0.00 177.00 175.05 3k1q n GLY 334 N 6.31 -0.46 3.56 0.56 0.00 -1.26 -4.67 105.19 109.23 3k1q n GLY 334 Ca 0.37 0.19 -0.17 0.00 0.00 0.00 0.00 46.02 46.40 3k1q n GLY 334 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k1q s PRO 335 N -5.89 1.79 2.57 1.61 0.02 -1.26 -4.74 135.00 129.10 3k1q s PRO 335 Ca 0.33 0.38 0.00 0.00 0.02 0.00 0.00 61.00 61.73 3k1q s PRO 335 Cb -0.14 -4.82 0.00 0.00 0.02 0.00 0.00 34.50 29.55 3k1q s PRO 335 CO 0.73 -4.22 0.00 2.41 -0.33 0.00 0.00 177.00 175.59 3k1q n THR 336 N 8.60 0.00 -3.58 0.99 -1.04 -1.24 -4.62 114.28 113.39 3k1q n THR 336 Ca 0.45 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 62.33 3k1q n THR 336 Cb 0.44 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.90 3k1q n THR 336 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3k1q s ARG 337 N 0.00 1.03 -0.38 -2.82 1.81 -1.26 -4.77 118.95 112.56 3k1q s ARG 337 Ca 0.00 -0.27 -0.09 0.00 -1.72 0.00 0.00 55.73 53.65 3k1q s ARG 337 Cb 0.00 0.47 0.05 0.00 -0.45 0.00 0.00 34.95 35.02 3k1q s ARG 337 CO 0.00 -0.38 0.19 0.14 -0.68 0.00 0.00 175.30 174.57 3k1q s VAL 338 N -2.54 4.18 -0.43 3.52 -7.23 0.17 -4.27 120.40 113.80 3k1q s VAL 338 Ca -0.05 -1.14 -0.26 0.00 -1.81 0.00 0.00 61.98 58.72 3k1q s VAL 338 Cb -0.01 -3.42 0.02 0.00 0.56 0.00 0.00 36.38 33.53 3k1q s VAL 338 CO -0.03 -0.31 0.98 -0.63 -0.31 0.00 0.00 175.10 174.80 3k1q s ILE 339 N 1.46 4.45 -1.24 -0.62 1.09 0.11 -2.01 121.20 124.44 3k1q s ILE 339 Ca 0.01 1.00 -0.15 0.00 -1.10 0.00 0.00 60.65 60.42 3k1q s ILE 339 Cb -0.21 -4.44 0.14 0.00 -1.06 0.00 0.00 42.46 36.89 3k1q s ILE 339 CO 0.04 -0.78 1.56 0.47 -0.10 0.00 0.00 174.94 176.13 3k1q n ASP 340 N 7.19 5.12 -2.14 3.58 8.00 0.19 -2.48 116.55 136.00 3k1q n ASP 340 Ca 0.08 -2.96 -0.24 0.00 0.71 0.00 0.00 54.79 52.37 3k1q n ASP 340 Cb 0.48 -1.62 0.14 0.00 -0.02 0.00 0.00 41.12 40.10 3k1q n ASP 340 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3k1q n MET 341 N 6.42 2.22 -2.65 -1.24 2.81 -0.66 -4.56 117.12 119.46 3k1q n MET 341 Ca 0.41 -2.77 -0.42 0.00 -1.81 0.00 0.00 57.70 53.11 3k1q n MET 341 Cb 0.43 -2.09 -0.03 0.00 -0.71 0.00 0.00 33.22 30.83 3k1q n MET 341 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3k1q s ASN 342 N -1.16 6.50 -1.15 7.83 2.47 -1.01 -4.09 114.94 124.33 3k1q s ASN 342 Ca 0.53 -1.50 -0.10 0.00 0.42 0.00 0.00 52.86 52.21 3k1q s ASN 342 Cb 0.44 -2.53 -0.03 0.00 -1.45 0.00 0.00 41.25 37.68 3k1q s ASN 342 CO 0.07 -1.43 0.82 0.00 -3.72 0.00 0.00 177.10 172.84 3k1q n ALA 343 N 8.36 -2.38 -3.02 1.71 0.00 -1.26 -4.94 120.51 118.98 3k1q n ALA 343 Ca 0.28 -0.09 -0.35 0.00 0.00 0.00 0.00 53.44 53.28 3k1q n ALA 343 Cb 0.50 -4.10 -0.02 0.00 0.00 0.00 0.00 19.45 15.83 3k1q n ALA 343 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3k1q n MET 344 N -3.89 3.94 0.00 0.00 2.81 -1.26 -4.85 117.12 113.88 3k1q n MET 344 Ca -0.14 -4.68 0.00 0.00 -1.81 0.00 0.00 57.70 51.07 3k1q n MET 344 Cb 0.62 -2.38 0.00 0.00 -0.71 0.00 0.00 33.22 30.75 3k1q n MET 344 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3k1q n ILE 345 N 0.57 0.00 -3.86 2.02 -6.64 -1.26 -4.72 119.36 105.47 3k1q n ILE 345 Ca 0.33 0.00 -0.36 0.00 -1.77 0.00 0.00 62.75 60.95 3k1q n ILE 345 Cb 0.35 0.00 -0.14 0.00 -1.44 0.00 0.00 39.64 38.41 3k1q n ILE 345 CO 0.00 0.00 0.00 -1.81 -1.77 0.00 0.00 176.55 172.97 3k1q s ASP 346 N -4.00 4.57 0.22 7.28 1.11 -1.26 -4.48 116.67 120.12 3k1q s ASP 346 Ca 0.00 -0.46 0.04 0.00 0.18 0.00 0.00 52.55 52.31 3k1q s ASP 346 Cb 0.00 -1.79 -0.05 0.00 1.07 0.00 0.00 42.92 42.15 3k1q s ASP 346 CO 0.00 -0.06 -0.02 -0.44 1.18 0.00 0.00 175.17 175.83 3k1q s SER 347 N 1.49 1.84 -0.23 0.27 0.01 -0.91 -1.60 113.70 114.57 3k1q s SER 347 Ca 0.05 -1.20 0.02 0.00 1.31 0.00 0.00 55.95 56.13 3k1q s SER 347 Cb -0.15 0.01 0.05 0.00 0.21 0.00 0.00 66.02 66.13 3k1q s SER 347 CO -0.01 -0.49 -0.11 -0.69 0.41 0.00 0.00 173.24 172.35 3k1q s VAL 348 N -3.40 1.88 -1.17 3.43 1.01 0.74 -2.08 120.40 120.80 3k1q s VAL 348 Ca 0.27 -1.29 -0.21 0.00 0.00 0.00 0.00 61.98 60.75 3k1q s VAL 348 Cb 0.05 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 3k1q s VAL 348 CO 0.08 0.09 1.82 -0.76 0.00 0.00 0.00 175.10 176.33 3k1q s LEU 349 N 1.27 3.36 -1.04 3.92 1.43 -0.78 -1.85 118.68 124.99 3k1q s LEU 349 Ca -0.04 -1.77 -0.23 0.00 -1.03 0.00 0.00 54.13 51.06 3k1q s LEU 349 Cb -0.18 -2.58 0.02 0.00 0.03 0.00 0.00 46.19 43.48 3k1q s LEU 349 CO -0.07 -2.27 1.64 -0.89 0.23 0.00 0.00 176.35 174.99 3k1q s THR 350 N 8.13 3.80 -0.26 5.49 2.01 -0.75 -1.63 115.64 132.44 3k1q s THR 350 Ca 0.62 -0.82 -0.22 0.00 0.31 0.00 0.00 61.69 61.58 3k1q s THR 350 Cb 0.00 -4.78 -0.01 0.00 0.01 0.00 0.00 72.50 67.72 3k1q s THR 350 CO 0.07 -1.64 0.71 -0.22 -0.69 0.00 0.00 174.62 172.85 3k1q s LEU 351 N 6.53 4.07 -0.43 4.42 2.96 -0.19 0.12 118.68 136.18 3k1q s LEU 351 Ca 0.54 0.79 0.04 0.00 -0.22 0.00 0.00 54.13 55.28 3k1q s LEU 351 Cb -0.01 -2.98 0.12 0.00 0.50 0.00 0.00 46.19 43.81 3k1q s LEU 351 CO -0.04 -0.45 0.16 -1.81 -1.32 0.00 0.00 176.35 172.89 3k1q s ASP 352 N 1.45 4.49 -0.22 3.68 1.01 0.17 -0.16 116.67 127.09 3k1q s ASP 352 Ca 0.29 -2.56 -0.09 0.00 0.71 0.00 0.00 52.55 50.91 3k1q s ASP 352 Cb -0.15 -1.59 -0.04 0.00 1.01 0.00 0.00 42.92 42.15 3k1q s ASP 352 CO 0.09 -0.31 0.11 -0.69 0.21 0.00 0.00 175.17 174.58 3k1q s VAL 353 N 0.35 4.98 0.04 -1.27 1.01 -0.88 -0.81 120.40 123.82 3k1q s VAL 353 Ca 0.14 0.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.95 3k1q s VAL 353 Cb -0.22 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 32.90 3k1q s VAL 353 CO -0.05 0.38 0.50 -0.55 0.00 0.00 0.00 175.10 175.38 3k1q s SER 354 N 0.97 -0.41 0.00 3.32 0.15 -1.26 0.42 113.70 116.89 3k1q s SER 354 Ca 0.06 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.88 3k1q s SER 354 Cb -0.14 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 3k1q s SER 354 CO 0.03 -0.69 0.00 0.61 1.20 0.00 0.00 173.24 174.40 3k1q n GLY 355 N 0.51 2.09 3.60 9.45 0.00 0.05 -4.88 105.19 116.00 3k1q n GLY 355 Ca -0.19 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 3k1q n GLY 355 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k1q s THR 356 N 0.00 3.05 0.00 2.61 2.01 -1.26 -1.25 115.64 120.80 3k1q s THR 356 Ca 0.00 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.05 3k1q s THR 356 Cb 0.00 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.43 3k1q s THR 356 CO 0.00 -0.05 0.00 0.00 -0.69 0.00 0.00 174.62 173.88 3k1q n ILE 357 N 7.76 0.00 -3.27 1.82 0.13 -1.25 -4.55 119.36 119.99 3k1q n ILE 357 Ca 0.30 0.00 -0.18 0.00 -1.10 0.00 0.00 62.75 61.76 3k1q n ILE 357 Cb 0.46 -0.49 0.02 0.00 -0.84 0.00 0.00 39.64 38.79 3k1q n ILE 357 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 3k1q n LEU 358 N -2.25 -3.81 -4.67 9.51 4.77 -1.26 -4.82 117.00 114.47 3k1q n LEU 358 Ca 0.00 0.24 -0.40 0.00 -0.03 0.00 0.00 56.01 55.82 3k1q n LEU 358 Cb 0.28 -1.88 0.02 0.00 -2.33 0.00 0.00 43.42 39.51 3k1q n LEU 358 CO 0.00 -1.01 0.75 -2.65 -1.33 0.00 0.00 177.39 173.15 3k1q n PRO 359 N 0.46 1.57 -1.50 3.23 -0.02 -1.26 -4.79 135.00 132.69 3k1q n PRO 359 Ca -0.03 0.57 -0.56 0.00 -2.02 0.00 0.00 63.50 61.46 3k1q n PRO 359 Cb 0.54 -2.27 -0.08 0.00 -0.02 0.00 0.00 33.50 31.67 3k1q n PRO 359 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3k1q n TYR 360 N -0.62 1.66 0.00 6.00 0.53 -1.26 -4.84 117.16 118.63 3k1q n TYR 360 Ca 0.09 0.52 0.00 0.00 -1.02 0.00 0.00 57.90 57.49 3k1q n TYR 360 Cb 0.41 -2.44 0.00 0.00 -1.03 0.00 0.00 39.34 36.28 3k1q n TYR 360 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 3k1q n ASP 361 N 7.57 0.00 -2.83 7.72 10.43 -1.26 -2.09 116.55 136.09 3k1q n ASP 361 Ca 0.39 0.00 -0.11 0.00 2.57 0.00 0.00 54.79 57.64 3k1q n ASP 361 Cb 0.12 0.00 0.03 0.00 1.84 0.00 0.00 41.12 43.11 3k1q n ASP 361 CO 0.00 0.00 0.00 1.07 -1.07 0.00 0.00 177.20 177.20 3k1q n THR 362 N 0.00 -0.12 -4.67 -3.53 5.66 -1.26 -5.12 114.28 105.24 3k1q n THR 362 Ca 0.00 -1.95 -0.33 0.00 -3.05 0.00 0.00 64.05 58.72 3k1q n THR 362 Cb 0.00 0.89 -0.13 0.00 -1.55 0.00 0.00 70.33 69.54 3k1q n THR 362 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 3k1q s ASN 363 N -1.61 4.30 0.00 1.09 0.01 -0.89 -5.00 114.94 112.85 3k1q s ASN 363 Ca 0.32 -0.22 0.00 0.00 -0.71 0.00 0.00 52.86 52.25 3k1q s ASN 363 Cb 0.22 -1.53 0.00 0.00 0.41 0.00 0.00 41.25 40.35 3k1q s ASN 363 CO -0.22 0.21 0.76 -0.81 -1.51 0.00 0.00 177.10 175.53 3k1q n PRO 364 N 3.25 0.51 -1.96 -0.60 -0.04 -1.26 -3.38 135.00 131.52 3k1q n PRO 364 Ca -0.18 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.02 3k1q n PRO 364 Cb 0.53 -1.24 0.03 0.00 -0.04 0.00 0.00 33.50 32.77 3k1q n PRO 364 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3k1q n ASP 365 N 1.23 5.34 -0.08 3.54 8.00 -1.26 -4.49 116.55 128.83 3k1q n ASP 365 Ca 0.00 -3.75 -0.18 0.00 0.71 0.00 0.00 54.79 51.57 3k1q n ASP 365 Cb 0.26 -0.45 -0.12 0.00 -0.02 0.00 0.00 41.12 40.78 3k1q n ASP 365 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3k1q h LEU 366 N 2.20 0.01 -9.89 0.64 3.38 -1.93 -3.39 115.31 106.32 3k1q h LEU 366 Ca 0.40 -0.79 -0.52 0.00 0.09 0.00 0.00 57.88 57.06 3k1q h LEU 366 Cb 1.37 -0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.18 3k1q h LEU 366 CO 0.89 1.22 0.61 -0.94 0.09 0.00 0.00 178.44 180.32 3k1q s SER 367 N -6.51 6.69 0.00 -0.43 1.04 -1.26 -4.35 113.70 108.88 3k1q s SER 367 Ca -0.23 2.63 0.00 0.00 0.48 0.00 0.00 55.95 58.83 3k1q s SER 367 Cb 0.01 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.49 3k1q s SER 367 CO 0.65 -0.58 0.00 0.35 0.98 0.00 0.00 173.24 174.64 3k1q n THR 368 N 0.64 0.00 -3.77 2.02 -2.24 -1.26 -4.93 114.28 104.73 3k1q n THR 368 Ca 0.01 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.42 3k1q n THR 368 Cb 0.43 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.53 3k1q n THR 368 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3k1q s SER 369 N -2.22 5.20 0.01 3.42 1.04 -1.14 -3.83 113.70 116.18 3k1q s SER 369 Ca 0.00 -1.02 0.01 0.00 0.48 0.00 0.00 55.95 55.42 3k1q s SER 369 Cb 0.00 -1.86 -0.04 0.00 0.10 0.00 0.00 66.02 64.23 3k1q s SER 369 CO 0.00 -0.28 0.05 0.68 0.98 0.00 0.00 173.24 174.67 3k1q s VAL 370 N 1.42 4.47 -0.15 5.02 -7.23 -0.73 -4.73 120.40 118.48 3k1q s VAL 370 Ca -0.01 -0.54 -0.29 0.00 -1.81 0.00 0.00 61.98 59.34 3k1q s VAL 370 Cb -0.19 -3.04 -0.05 0.00 0.56 0.00 0.00 36.38 33.66 3k1q s VAL 370 CO 0.02 0.33 1.90 -2.84 -0.31 0.00 0.00 175.10 174.20 3k1q s PRO 371 N -1.76 3.69 0.15 4.82 0.02 -1.26 -0.10 135.00 140.56 3k1q s PRO 371 Ca 0.22 2.04 0.03 0.00 0.02 0.00 0.00 61.00 63.32 3k1q s PRO 371 Cb -0.12 -4.17 -0.05 0.00 0.02 0.00 0.00 34.50 30.18 3k1q s PRO 371 CO 0.14 -1.44 -0.06 0.00 -0.33 0.00 0.00 177.00 175.30 3k1q s ALA 372 N 5.92 1.38 -0.12 -1.55 0.00 0.24 -4.74 121.76 122.89 3k1q s ALA 372 Ca 0.85 -1.52 -0.00 0.00 0.00 0.00 0.00 51.96 51.29 3k1q s ALA 372 Cb -0.32 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 3k1q s ALA 372 CO 0.34 -0.19 -0.11 0.12 0.00 0.00 0.00 175.76 175.92 3k1q s PHE 373 N -3.46 2.84 -0.13 0.00 5.36 0.23 -0.65 117.98 122.17 3k1q s PHE 373 Ca 0.19 -0.51 0.01 0.00 -0.96 0.00 0.00 56.93 55.66 3k1q s PHE 373 Cb 0.04 -1.84 0.02 0.00 -0.34 0.00 0.00 43.02 40.90 3k1q s PHE 373 CO 0.01 -0.12 -0.15 0.08 -1.46 0.00 0.00 175.22 173.58 3k1q s VAL 374 N 0.20 1.56 0.16 3.12 1.01 -0.41 -0.41 120.40 125.63 3k1q s VAL 374 Ca -0.07 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.04 3k1q s VAL 374 Cb -0.15 -1.44 -0.08 0.00 0.00 0.00 0.00 36.38 34.71 3k1q s VAL 374 CO 0.05 0.46 0.69 -0.22 0.00 0.00 0.00 175.10 176.07 3k1q s LEU 375 N 1.19 4.48 -0.17 3.92 2.96 0.71 0.67 118.68 132.43 3k1q s LEU 375 Ca -0.02 1.43 -0.01 0.00 -0.22 0.00 0.00 54.13 55.31 3k1q s LEU 375 Cb -0.14 -3.27 -0.01 0.00 0.50 0.00 0.00 46.19 43.27 3k1q s LEU 375 CO -0.05 0.16 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.40 3k1q s ILE 376 N -1.28 2.99 -0.65 6.68 1.01 0.28 -1.39 121.20 128.84 3k1q s ILE 376 Ca 0.36 -0.65 0.05 0.00 0.00 0.00 0.00 60.65 60.42 3k1q s ILE 376 Cb -0.19 -2.30 0.20 0.00 0.01 0.00 0.00 42.46 40.17 3k1q s ILE 376 CO 0.22 0.49 0.56 0.00 0.00 0.00 0.00 174.94 176.21 3k1q n GLN 377 N 4.21 1.87 -4.38 2.79 6.02 -0.55 -0.53 117.38 126.82 3k1q n GLN 377 Ca -0.19 -4.40 -0.19 0.00 -0.01 0.00 0.00 57.00 52.21 3k1q n GLN 377 Cb 0.51 -2.19 -0.15 0.00 1.02 0.00 0.00 30.24 29.43 3k1q n GLN 377 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3k1q s THR 378 N -1.64 0.75 -2.00 5.09 -1.32 -0.47 -2.21 115.64 113.84 3k1q s THR 378 Ca 0.30 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 3k1q s THR 378 Cb 0.03 -0.64 0.01 0.00 -1.51 0.00 0.00 72.50 70.39 3k1q s THR 378 CO -0.12 0.22 0.77 -1.20 -2.21 0.00 0.00 174.62 172.08 3k1q n SER 379 N 3.02 0.00 -4.26 8.08 7.64 -1.26 -2.94 113.62 123.90 3k1q n SER 379 Ca -0.15 -1.50 -0.40 0.00 1.01 0.00 0.00 58.87 57.83 3k1q n SER 379 Cb 0.56 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.66 3k1q n SER 379 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3k1q s VAL 380 N -2.00 4.14 -0.04 0.44 1.01 -1.26 -4.92 120.40 117.77 3k1q s VAL 380 Ca 0.01 -1.42 -0.35 0.00 0.00 0.00 0.00 61.98 60.22 3k1q s VAL 380 Cb 0.00 -3.53 -0.13 0.00 0.00 0.00 0.00 36.38 32.72 3k1q s VAL 380 CO 0.00 -0.49 1.76 -2.65 0.00 0.00 0.00 175.10 173.72 3k1q n PRO 381 N 4.89 1.98 0.00 2.72 -0.02 -1.26 -4.79 135.00 138.52 3k1q n PRO 381 Ca -0.10 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3k1q n PRO 381 Cb 0.43 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 3k1q n PRO 381 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3k1q n ILE 382 N 4.48 0.00 0.29 4.25 2.08 -1.26 0.11 119.36 129.31 3k1q n ILE 382 Ca 0.21 0.00 0.12 0.00 0.56 0.00 0.00 62.75 63.64 3k1q n ILE 382 Cb 0.27 0.00 0.55 0.00 -0.75 0.00 0.00 39.64 39.71 3k1q n ILE 382 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3k1q n GLN 383 N -3.54 0.18 0.00 0.38 3.00 -1.26 -0.66 117.38 115.48 3k1q n GLN 383 Ca 0.00 0.53 0.12 0.00 -0.01 0.00 0.00 57.00 57.64 3k1q n GLN 383 Cb 0.00 -1.93 0.30 0.00 0.00 0.00 0.00 30.24 28.60 3k1q n GLN 383 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3k1q n GLN 384 N -2.29 0.18 -2.77 -1.09 3.00 0.12 -4.82 117.38 109.70 3k1q n GLN 384 Ca 0.00 -0.10 -0.43 0.00 -0.01 0.00 0.00 57.00 56.47 3k1q n GLN 384 Cb 0.15 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 28.87 3k1q n GLN 384 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3k1q s VAL 385 N -2.89 4.44 -0.13 5.09 1.01 0.17 -4.76 120.40 123.32 3k1q s VAL 385 Ca 0.14 -1.51 0.13 0.00 0.00 0.00 0.00 61.98 60.75 3k1q s VAL 385 Cb 0.18 -4.94 -0.19 0.00 0.00 0.00 0.00 36.38 31.43 3k1q s VAL 385 CO 0.65 -1.73 0.09 0.35 0.00 0.00 0.00 175.10 174.47 3k1q n THR 386 N 5.93 0.86 -4.53 3.92 -2.24 -1.26 -4.98 114.28 111.97 3k1q n THR 386 Ca 0.32 -0.58 -0.25 0.00 -2.27 0.00 0.00 64.05 61.27 3k1q n THR 386 Cb 0.48 -0.50 -0.11 0.00 -2.10 0.00 0.00 70.33 68.11 3k1q n THR 386 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3k1q s THR 387 N -2.46 1.57 0.43 4.28 -4.23 -1.26 -4.53 115.64 109.44 3k1q s THR 387 Ca -0.07 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.66 3k1q s THR 387 Cb 0.05 -2.89 0.42 0.00 1.34 0.00 0.00 72.50 71.43 3k1q s THR 387 CO 0.61 0.00 1.80 0.00 -0.54 0.00 0.00 174.62 176.49 3k1q h ALA 388 N 1.94 2.41 -1.00 3.99 0.00 -1.96 -2.28 119.26 122.35 3k1q h ALA 388 Ca -0.42 0.03 0.14 0.00 0.00 0.00 0.00 54.91 54.66 3k1q h ALA 388 Cb 1.24 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 3k1q h ALA 388 CO 0.75 -0.77 0.62 0.00 0.00 0.00 0.00 179.25 179.85 3k1q h ALA 389 N 1.58 1.56 -0.82 0.00 0.00 -2.00 -2.47 119.26 117.11 3k1q h ALA 389 Ca 0.56 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.60 3k1q h ALA 389 Cb 1.58 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 19.13 3k1q h ALA 389 CO -0.21 0.14 0.46 -0.91 0.00 0.00 0.00 179.25 178.73 3k1q h ASN 390 N 0.92 0.65 -1.17 0.00 4.21 -1.80 -3.34 115.58 115.06 3k1q h ASN 390 Ca 0.52 0.05 0.33 0.00 1.21 0.00 0.00 56.30 58.42 3k1q h ASN 390 Cb 0.62 -0.07 -0.07 0.00 -1.12 0.00 0.00 38.32 37.68 3k1q h ASN 390 CO -0.30 0.37 0.81 0.16 -1.29 0.00 0.00 177.43 177.17 3k1q h ILE 391 N 0.77 0.41 0.00 2.81 -0.00 -1.57 -3.43 117.51 116.50 3k1q h ILE 391 Ca 0.40 -0.04 0.00 0.00 -0.00 0.00 0.00 64.86 65.22 3k1q h ILE 391 Cb 0.38 0.28 0.00 0.00 -0.00 0.00 0.00 36.82 37.48 3k1q h ILE 391 CO -0.26 0.02 0.00 0.41 -0.00 0.00 0.00 178.15 178.33 3k1q n THR 392 N -4.35 0.00 -4.08 0.16 -1.04 -1.26 -4.08 114.28 99.64 3k1q n THR 392 Ca 0.27 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.95 3k1q n THR 392 Cb 1.16 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 69.52 3k1q n THR 392 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k1q s ALA 393 N -1.00 2.47 -0.53 2.41 0.00 -0.94 -5.03 121.76 119.15 3k1q s ALA 393 Ca 0.00 -1.59 -0.19 0.00 0.00 0.00 0.00 51.96 50.18 3k1q s ALA 393 Cb 0.00 -1.47 0.07 0.00 0.00 0.00 0.00 23.12 21.73 3k1q s ALA 393 CO 0.00 -0.96 0.63 0.96 0.00 0.00 0.00 175.76 176.39 3k1q s ILE 394 N 1.17 4.89 -0.30 0.00 -4.36 -1.26 -1.48 121.20 119.86 3k1q s ILE 394 Ca -0.05 -0.68 -0.06 0.00 -0.26 0.00 0.00 60.65 59.61 3k1q s ILE 394 Cb -0.18 -4.34 0.02 0.00 1.25 0.00 0.00 42.46 39.22 3k1q s ILE 394 CO -0.07 -0.87 0.06 0.42 0.24 0.00 0.00 174.94 174.72 3k1q s THR 395 N 2.56 3.70 -0.43 8.37 -4.23 -0.49 -5.00 115.64 120.12 3k1q s THR 395 Ca 0.13 -0.90 -0.27 0.00 -1.18 0.00 0.00 61.69 59.47 3k1q s THR 395 Cb -0.21 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.62 3k1q s THR 395 CO 0.10 0.02 2.07 -0.69 -0.54 0.00 0.00 174.62 175.58 3k1q s VAL 396 N 1.43 3.22 -0.25 2.29 1.01 -1.26 -0.21 120.40 126.63 3k1q s VAL 396 Ca 0.01 0.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 3k1q s VAL 396 Cb -0.18 -3.42 -0.15 0.00 0.00 0.00 0.00 36.38 32.63 3k1q s VAL 396 CO 0.01 -0.35 -0.13 0.52 0.00 0.00 0.00 175.10 175.15 3k1q n VAL 397 N 7.60 1.54 -3.78 2.92 0.31 -0.61 -4.85 118.33 121.46 3k1q n VAL 397 Ca 0.28 -0.26 -0.33 0.00 -0.01 0.00 0.00 64.34 64.01 3k1q n VAL 397 Cb 0.50 -1.93 -0.10 0.00 -0.91 0.00 0.00 33.84 31.41 3k1q n VAL 397 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3k1q s SER 398 N -7.23 5.21 0.00 4.52 0.01 0.45 -4.72 113.70 111.95 3k1q s SER 398 Ca -0.35 -3.41 0.00 0.00 1.31 0.00 0.00 55.95 53.50 3k1q s SER 398 Cb 0.11 -1.78 0.00 0.00 0.21 0.00 0.00 66.02 64.56 3k1q s SER 398 CO 0.54 -0.21 0.00 0.00 0.41 0.00 0.00 173.24 173.97 3k1q n ALA 399 N 2.67 0.37 -0.87 1.44 0.00 -1.26 -0.60 120.51 122.26 3k1q n ALA 399 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3k1q n ALA 399 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 3k1q n ALA 399 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q n ALA 400 N -0.23 0.00 -2.10 0.00 0.00 -1.26 -4.39 120.51 112.52 3k1q n ALA 400 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 3k1q n ALA 400 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 3k1q n ALA 400 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3k1q s GLY 401 N 0.00 0.28 -1.19 0.00 0.00 -1.26 -4.89 107.32 100.27 3k1q s GLY 401 Ca 0.00 -0.78 -0.07 0.00 0.00 0.00 0.00 44.72 43.88 3k1q s GLY 401 CO 0.00 3.33 1.71 0.00 0.00 0.00 0.00 173.10 178.14 3k1q n ALA 402 N 12.37 5.35 -2.00 3.20 0.00 -1.26 -4.41 120.51 133.76 3k1q n ALA 402 Ca 0.19 -4.54 0.00 0.00 0.00 0.00 0.00 53.44 49.09 3k1q n ALA 402 Cb 0.52 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 17.29 3k1q n ALA 402 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3k1q n SER 403 N 2.55 0.00 0.00 0.00 3.41 -1.26 -4.63 113.62 113.69 3k1q n SER 403 Ca 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 3k1q n SER 403 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 3k1q n SER 403 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k1q n ALA 404 N -3.00 0.00 -3.29 7.33 0.00 -1.26 -2.86 120.51 117.43 3k1q n ALA 404 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3k1q n ALA 404 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3k1q n ALA 404 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3k1q s ILE 405 N -2.00 0.01 -0.63 0.00 1.10 -1.26 -4.37 121.20 114.04 3k1q s ILE 405 Ca 0.00 -0.10 -0.28 0.00 -0.51 0.00 0.00 60.65 59.76 3k1q s ILE 405 Cb 0.00 -0.59 -0.28 0.00 0.15 0.00 0.00 42.46 41.74 3k1q s ILE 405 CO 0.00 -0.06 1.87 0.59 -2.11 0.00 0.00 174.94 175.24 3k1q n ASN 406 N 2.44 1.46 0.11 4.50 4.13 -1.26 -4.65 115.26 121.99 3k1q n ASN 406 Ca -0.15 -2.53 0.13 0.00 1.68 0.00 0.00 54.58 53.71 3k1q n ASN 406 Cb 0.57 -1.19 0.44 0.00 -1.54 0.00 0.00 39.78 38.06 3k1q n ASN 406 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3k1q n LEU 407 N 14.07 0.75 -4.73 3.41 4.77 -1.26 -4.78 117.00 129.24 3k1q n LEU 407 Ca 0.44 0.61 -0.41 0.00 -0.03 0.00 0.00 56.01 56.62 3k1q n LEU 407 Cb 0.44 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3k1q n LEU 407 CO 0.88 -0.31 0.92 0.00 -1.33 0.00 0.00 177.39 177.55 3k1q s ALA 408 N -3.18 3.46 -0.70 -1.18 0.00 -1.26 -1.79 121.76 117.12 3k1q s ALA 408 Ca 0.08 0.97 -0.26 0.00 0.00 0.00 0.00 51.96 52.75 3k1q s ALA 408 Cb 0.11 -3.45 -0.23 0.00 0.00 0.00 0.00 23.12 19.56 3k1q s ALA 408 CO 0.52 -0.44 1.87 -0.89 0.00 0.00 0.00 175.76 176.83 3k1q n ILE 409 N 3.03 0.85 0.64 0.00 5.41 0.10 -4.72 119.36 124.67 3k1q n ILE 409 Ca 0.07 -0.81 0.13 0.00 1.00 0.00 0.00 62.75 63.14 3k1q n ILE 409 Cb 0.44 -2.11 0.33 0.00 -0.71 0.00 0.00 39.64 37.59 3k1q n ILE 409 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3k1q n ASN 410 N 12.43 0.72 -0.24 4.38 5.03 -1.20 -3.31 115.26 133.07 3k1q n ASN 410 Ca 0.46 0.39 0.12 0.00 0.87 0.00 0.00 54.58 56.41 3k1q n ASN 410 Cb 0.44 -0.41 0.40 0.00 -1.02 0.00 0.00 39.78 39.18 3k1q n ASN 410 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3k1q h VAL 411 N 0.00 0.85 -0.16 2.41 2.07 -1.84 -0.97 116.25 118.61 3k1q h VAL 411 Ca 0.00 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 3k1q h VAL 411 Cb 0.72 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3k1q h VAL 411 CO 0.00 0.12 -0.16 0.54 0.02 0.00 0.00 177.57 178.09 3k1q n ARG 412 N -4.53 1.84 0.00 1.57 3.00 -1.26 -4.85 116.66 112.42 3k1q n ARG 412 Ca 0.16 -3.02 0.00 0.00 -0.01 0.00 0.00 57.85 54.98 3k1q n ARG 412 Cb 0.45 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 31.22 3k1q n ARG 412 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3k1q n GLY 413 N -1.09 2.88 3.77 -0.13 0.00 -0.37 -5.00 105.19 105.26 3k1q n GLY 413 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 3k1q n GLY 413 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k1q s GLN 414 N -0.26 4.10 -0.81 1.61 1.11 -1.21 -4.94 119.66 119.26 3k1q s GLN 414 Ca 0.00 2.24 0.02 0.00 0.01 0.00 0.00 55.36 57.63 3k1q s GLN 414 Cb 0.00 -2.88 0.21 0.00 -1.01 0.00 0.00 33.01 29.32 3k1q s GLN 414 CO 0.00 -0.41 0.71 -0.35 0.01 0.00 0.00 175.29 175.24 3k1q n PRO 415 N 0.38 2.41 -4.05 2.91 -0.04 -1.26 -3.21 135.00 132.14 3k1q n PRO 415 Ca 0.02 -4.51 -0.32 0.00 -0.04 0.00 0.00 63.50 58.65 3k1q n PRO 415 Cb 0.42 -2.36 -0.15 0.00 -0.04 0.00 0.00 33.50 31.38 3k1q n PRO 415 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3k1q s ARG 416 N -1.60 2.21 -0.08 0.54 1.81 -1.23 -3.81 118.95 116.79 3k1q s ARG 416 Ca 0.28 -1.38 -0.29 0.00 -1.72 0.00 0.00 55.73 52.62 3k1q s ARG 416 Cb -0.03 -2.94 -0.06 0.00 -0.45 0.00 0.00 34.95 31.46 3k1q s ARG 416 CO -0.12 -0.60 1.92 0.12 -0.68 0.00 0.00 175.30 175.94 3k1q s PHE 417 N 1.10 1.49 0.71 -0.53 2.19 -0.38 0.03 117.98 122.59 3k1q s PHE 417 Ca -0.07 0.03 -0.17 0.00 0.33 0.00 0.00 56.93 57.06 3k1q s PHE 417 Cb -0.20 -4.08 -0.07 0.00 -1.31 0.00 0.00 43.02 37.36 3k1q s PHE 417 CO -0.05 -4.54 0.32 -1.71 1.83 0.00 0.00 175.22 171.07 3k1q n ASN 418 N 8.60 -1.98 -4.58 6.13 5.15 -0.74 -0.77 115.26 127.07 3k1q n ASN 418 Ca 0.22 0.57 -0.41 0.00 -0.60 0.00 0.00 54.58 54.35 3k1q n ASN 418 Cb 0.43 -1.12 -0.03 0.00 -0.53 0.00 0.00 39.78 38.53 3k1q n ASN 418 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k1q s MET 419 N -2.42 3.10 0.07 1.20 0.23 -1.26 -4.43 119.30 115.80 3k1q s MET 419 Ca 0.62 1.14 -0.16 0.00 -1.03 0.00 0.00 55.69 56.26 3k1q s MET 419 Cb -0.36 -4.25 -0.06 0.00 -1.53 0.00 0.00 34.83 28.63 3k1q s MET 419 CO 0.61 -2.14 0.49 -1.17 -2.03 0.00 0.00 175.02 170.79 3k1q s LEU 420 N 7.59 4.45 -0.44 0.18 2.96 0.17 -5.00 118.68 128.58 3k1q s LEU 420 Ca 0.75 1.07 -0.07 0.00 -0.22 0.00 0.00 54.13 55.66 3k1q s LEU 420 Cb -0.19 -2.89 0.11 0.00 0.50 0.00 0.00 46.19 43.72 3k1q s LEU 420 CO 0.29 0.24 0.28 -2.28 -1.32 0.00 0.00 176.35 173.57 3k1q s HIS 421 N -1.21 3.45 0.19 5.38 5.65 -1.26 -2.06 115.29 125.42 3k1q s HIS 421 Ca 0.30 -1.96 -0.10 0.00 0.25 0.00 0.00 55.06 53.54 3k1q s HIS 421 Cb -0.17 -3.29 -0.07 0.00 -1.18 0.00 0.00 32.58 27.87 3k1q s HIS 421 CO 0.17 -0.96 0.51 -0.51 -0.65 0.00 0.00 174.74 173.31 3k1q s LEU 422 N 1.31 4.23 -0.06 8.88 1.43 0.77 -4.98 118.68 130.26 3k1q s LEU 422 Ca 0.06 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.06 3k1q s LEU 422 Cb -0.25 -3.50 0.02 0.00 0.03 0.00 0.00 46.19 42.50 3k1q s LEU 422 CO -0.01 -0.00 -0.04 -1.10 0.23 0.00 0.00 176.35 175.43 3k1q s GLN 423 N -2.56 0.84 -0.41 1.70 -1.52 -1.26 -1.02 119.66 115.44 3k1q s GLN 423 Ca 0.44 -0.07 0.03 0.00 -1.95 0.00 0.00 55.36 53.80 3k1q s GLN 423 Cb -0.12 -0.93 0.11 0.00 -0.22 0.00 0.00 33.01 31.85 3k1q s GLN 423 CO 0.21 -0.14 0.15 0.00 -0.25 0.00 0.00 175.29 175.25 3k1q s ALA 424 N 1.21 2.78 -0.05 6.09 0.00 -0.64 -4.59 121.76 126.54 3k1q s ALA 424 Ca -0.06 -2.69 -0.15 0.00 0.00 0.00 0.00 51.96 49.06 3k1q s ALA 424 Cb -0.14 -1.98 -0.18 0.00 0.00 0.00 0.00 23.12 20.82 3k1q s ALA 424 CO -0.02 -1.84 1.09 0.25 0.00 0.00 0.00 175.76 175.25 3k1q n THR 425 N 3.86 0.00 -1.69 0.00 -2.24 -1.26 -1.87 114.28 111.07 3k1q n THR 425 Ca 0.04 -0.25 -0.17 0.00 -2.27 0.00 0.00 64.05 61.40 3k1q n THR 425 Cb 0.38 -1.00 -0.09 0.00 -2.10 0.00 0.00 70.33 67.52 3k1q n THR 425 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3k1q s PHE 426 N 5.36 1.33 -0.43 4.78 5.36 -0.89 -4.87 117.98 128.63 3k1q s PHE 426 Ca 0.35 1.83 -0.05 0.00 -0.96 0.00 0.00 56.93 58.10 3k1q s PHE 426 Cb 0.07 -3.51 0.11 0.00 -0.34 0.00 0.00 43.02 39.34 3k1q s PHE 426 CO 0.17 -1.16 0.25 -1.21 -1.46 0.00 0.00 175.22 171.80 3k1q s GLU 427 N 8.26 2.21 0.62 10.12 0.41 -1.26 -2.14 118.70 136.92 3k1q s GLU 427 Ca 0.83 -1.76 0.28 0.00 -0.41 0.00 0.00 54.97 53.91 3k1q s GLU 427 Cb -0.08 -3.69 1.47 0.00 -1.78 0.00 0.00 34.13 30.05 3k1q s GLU 427 CO 0.12 -1.09 1.86 0.07 -0.49 0.00 0.00 175.26 175.73 3k1q h ARG 428 N 8.20 0.00 -0.22 1.61 0.11 -1.90 -1.21 114.38 120.97 3k1q h ARG 428 Ca -0.17 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.86 3k1q h ARG 428 Cb 1.06 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.12 3k1q h ARG 428 CO 0.75 0.00 -0.09 0.93 0.10 0.00 0.00 179.97 181.66 3k1q h GLU 429 N 0.00 0.35 -1.02 0.08 3.07 -1.94 1.32 114.58 116.44 3k1q h GLU 429 Ca 0.13 -0.08 0.25 0.00 -0.50 0.00 0.00 59.36 59.16 3k1q h GLU 429 Cb 1.05 -0.05 -0.11 0.00 -0.84 0.00 0.00 28.75 28.80 3k1q h GLU 429 CO -0.00 0.46 0.63 1.15 -1.40 0.00 0.00 179.01 179.84 3k1q h THR 430 N 0.34 0.55 0.00 1.13 2.02 -1.62 -3.20 112.91 112.13 3k1q h THR 430 Ca 0.07 -0.18 -0.21 0.00 0.77 0.00 0.00 66.41 66.86 3k1q h THR 430 Cb 0.37 -0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.72 3k1q h THR 430 CO 0.02 0.10 -1.78 -0.38 0.37 0.00 0.00 175.52 173.84 3k1q n ILE 431 N -4.76 0.78 -3.75 3.11 5.41 -0.80 -5.06 119.36 114.30 3k1q n ILE 431 Ca 0.26 -0.48 -0.24 0.00 1.00 0.00 0.00 62.75 63.30 3k1q n ILE 431 Cb 0.78 -0.71 0.03 0.00 -0.71 0.00 0.00 39.64 39.04 3k1q n ILE 431 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3k1q n THR 432 N -2.44 -3.81 -4.97 1.39 -2.24 0.45 -4.77 114.28 97.89 3k1q n THR 432 Ca -0.19 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3k1q n THR 432 Cb 0.87 -3.57 0.00 0.00 -2.10 0.00 0.00 70.33 65.53 3k1q n THR 432 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k1q n GLY 433 N -1.61 0.97 5.00 3.38 0.00 -1.26 -4.92 105.19 106.75 3k1q n GLY 433 Ca -0.20 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3k1q n GLY 433 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3k1q n ILE 434 N 0.00 0.00 -3.00 -0.61 5.41 -1.26 -4.65 119.36 115.24 3k1q n ILE 434 Ca 0.00 0.00 -0.44 0.00 1.00 0.00 0.00 62.75 63.31 3k1q n ILE 434 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3k1q n ILE 434 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3k1q n PRO 435 N 0.00 3.73 -1.36 0.38 -0.04 -1.26 -4.62 135.00 131.82 3k1q n PRO 435 Ca 0.00 -4.18 -0.46 0.00 -0.04 0.00 0.00 63.50 58.82 3k1q n PRO 435 Cb 0.00 -2.73 -0.03 0.00 -0.04 0.00 0.00 33.50 30.71 3k1q n PRO 435 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3k1q n TYR 436 N 3.32 -0.68 -3.22 0.54 4.02 -1.15 -1.36 117.16 118.62 3k1q n TYR 436 Ca 0.30 0.91 -0.40 0.00 -0.01 0.00 0.00 57.90 58.71 3k1q n TYR 436 Cb 0.38 -1.90 -0.07 0.00 -0.02 0.00 0.00 39.34 37.73 3k1q n TYR 436 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3k1q s ILE 437 N -1.06 5.07 0.28 -0.72 1.09 -1.26 -3.47 121.20 121.13 3k1q s ILE 437 Ca 0.62 0.94 0.07 0.00 -1.10 0.00 0.00 60.65 61.18 3k1q s ILE 437 Cb -0.88 -3.85 -0.06 0.00 -1.06 0.00 0.00 42.46 36.62 3k1q s ILE 437 CO 0.56 0.12 -0.06 -0.31 -0.10 0.00 0.00 174.94 175.15 3k1q s TYR 438 N 2.04 1.96 -0.07 3.97 1.51 0.31 -1.65 117.35 125.43 3k1q s TYR 438 Ca 0.23 -0.70 -0.31 0.00 -1.01 0.00 0.00 57.07 55.29 3k1q s TYR 438 Cb -0.16 -1.12 0.08 0.00 -0.11 0.00 0.00 41.96 40.66 3k1q s TYR 438 CO 0.09 0.28 0.75 0.20 -1.11 0.00 0.00 175.55 175.76 3k1q s GLY 439 N -3.45 -0.51 0.27 0.71 0.00 -1.04 -0.55 107.32 102.75 3k1q s GLY 439 Ca 0.30 1.44 0.03 0.00 0.00 0.00 0.00 44.72 46.49 3k1q s GLY 439 CO 0.12 0.94 0.03 -2.27 0.00 0.00 0.00 173.10 171.92 3k1q s LEU 440 N -1.23 2.13 -0.08 0.66 2.96 0.21 0.10 118.68 123.42 3k1q s LEU 440 Ca -0.09 -1.29 0.04 0.00 -0.22 0.00 0.00 54.13 52.58 3k1q s LEU 440 Cb -0.00 -0.29 -0.01 0.00 0.50 0.00 0.00 46.19 46.39 3k1q s LEU 440 CO 0.07 -0.56 -0.21 -0.83 -1.32 0.00 0.00 176.35 173.50 3k1q s GLY 441 N -3.37 1.38 -0.29 7.98 0.00 -1.26 -1.28 107.32 110.48 3k1q s GLY 441 Ca 0.32 -0.99 -0.25 0.00 0.00 0.00 0.00 44.72 43.81 3k1q s GLY 441 CO 0.12 -0.49 1.24 -1.08 0.00 0.00 0.00 173.10 172.88 3k1q s THR 442 N -0.01 0.00 -0.80 0.90 -1.32 0.17 -4.51 115.64 110.08 3k1q s THR 442 Ca -0.07 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.16 3k1q s THR 442 Cb -0.15 -1.00 -0.25 0.00 -1.51 0.00 0.00 72.50 69.60 3k1q s THR 442 CO 0.05 0.00 1.92 2.22 -2.21 0.00 0.00 174.62 176.60 3k1q n PHE 443 N 1.93 0.66 -3.04 9.09 1.16 -1.22 0.81 117.46 126.84 3k1q n PHE 443 Ca -0.11 -0.21 -0.39 0.00 -1.87 0.00 0.00 57.45 54.86 3k1q n PHE 443 Cb 0.56 -2.10 -0.05 0.00 -1.61 0.00 0.00 39.48 36.28 3k1q n PHE 443 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 3k1q s LEU 444 N 12.88 4.50 0.04 5.98 0.20 0.85 -4.60 118.68 138.53 3k1q s LEU 444 Ca 0.73 1.45 0.09 0.00 0.69 0.00 0.00 54.13 57.09 3k1q s LEU 444 Cb -0.01 -3.18 -0.03 0.00 -0.43 0.00 0.00 46.19 42.55 3k1q s LEU 444 CO 0.20 0.11 -0.25 -0.51 -0.29 0.00 0.00 176.35 175.62 3k1q s ILE 445 N -0.53 2.01 -0.04 6.68 2.07 -1.26 -1.77 121.20 128.37 3k1q s ILE 445 Ca 0.36 -1.31 -0.26 0.00 -1.41 0.00 0.00 60.65 58.02 3k1q s ILE 445 Cb -0.21 -1.72 -0.21 0.00 0.13 0.00 0.00 42.46 40.45 3k1q s ILE 445 CO 0.23 0.35 1.17 -0.65 -1.91 0.00 0.00 174.94 174.13 3k1q h PRO 446 N 4.88 -0.03 -6.24 3.50 0.11 -1.80 -3.31 132.00 129.11 3k1q h PRO 446 Ca -0.45 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.10 3k1q h PRO 446 Cb 1.14 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3k1q h PRO 446 CO 0.44 0.52 1.21 0.45 -0.21 0.00 0.00 178.00 180.41 3k1q s SER 447 N -5.73 6.28 0.24 -2.05 0.15 -1.26 -0.68 113.70 110.64 3k1q s SER 447 Ca -0.16 2.03 -0.31 0.00 0.70 0.00 0.00 55.95 58.21 3k1q s SER 447 Cb 0.01 -2.53 -0.12 0.00 -1.71 0.00 0.00 66.02 61.67 3k1q s SER 447 CO 0.66 -1.28 1.60 -2.65 1.20 0.00 0.00 173.24 172.77 3k1q n PRO 448 N 7.74 2.52 -3.82 5.44 -0.02 -1.20 -4.87 135.00 140.78 3k1q n PRO 448 Ca 0.21 0.90 -0.36 0.00 -2.02 0.00 0.00 63.50 62.24 3k1q n PRO 448 Cb 0.44 -2.68 -0.08 0.00 -0.02 0.00 0.00 33.50 31.16 3k1q n PRO 448 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3k1q s THR 449 N 0.50 5.34 -0.88 3.45 -4.23 -1.21 -4.93 115.64 113.68 3k1q s THR 449 Ca 0.71 0.16 -0.25 0.00 -1.18 0.00 0.00 61.69 61.13 3k1q s THR 449 Cb -0.56 -3.40 -0.04 0.00 1.34 0.00 0.00 72.50 69.85 3k1q s THR 449 CO 0.42 0.50 1.90 -0.55 -0.54 0.00 0.00 174.62 176.35 3k1q s SER 450 N -0.09 5.26 0.34 3.99 0.15 -1.26 -4.54 113.70 117.54 3k1q s SER 450 Ca 0.10 -0.62 0.13 0.00 0.70 0.00 0.00 55.95 56.25 3k1q s SER 450 Cb -0.11 -2.56 1.06 0.00 -1.71 0.00 0.00 66.02 62.70 3k1q s SER 450 CO 0.00 -2.62 1.63 -1.28 1.20 0.00 0.00 173.24 172.18 3k1q h SER 451 N 11.56 0.29 0.08 5.45 0.87 -1.96 0.31 113.55 130.14 3k1q h SER 451 Ca 0.06 0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.84 3k1q h SER 451 Cb 1.02 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 3k1q h SER 451 CO 1.23 -0.23 -0.04 0.77 -0.53 0.00 0.00 176.83 178.03 3k1q h SER 452 N 0.20 -0.09 0.05 6.23 4.64 -2.00 -3.30 113.55 119.28 3k1q h SER 452 Ca 0.72 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.92 3k1q h SER 452 Cb 1.68 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.79 3k1q h SER 452 CO -0.68 0.07 -0.06 0.78 -0.87 0.00 0.00 176.83 176.07 3k1q h ASN 453 N -0.24 -0.17 -1.31 4.97 4.21 -1.86 -3.36 115.58 117.82 3k1q h ASN 453 Ca -0.01 0.01 -0.75 0.00 1.21 0.00 0.00 56.30 56.76 3k1q h ASN 453 Cb 0.20 0.06 -0.14 0.00 -1.12 0.00 0.00 38.32 37.31 3k1q h ASN 453 CO 0.02 -0.07 2.08 0.33 -1.29 0.00 0.00 177.43 178.49 3k1q n PHE 454 N -2.66 3.14 0.02 1.19 7.35 0.10 -4.79 117.46 121.82 3k1q n PHE 454 Ca -0.01 -2.84 0.22 0.00 -0.76 0.00 0.00 57.45 54.05 3k1q n PHE 454 Cb 0.05 -2.02 0.73 0.00 0.35 0.00 0.00 39.48 38.59 3k1q n PHE 454 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 3k1q h SER 455 N 5.88 0.00 -2.56 -2.13 4.64 -1.72 -3.43 113.55 114.23 3k1q h SER 455 Ca 0.40 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.19 3k1q h SER 455 Cb 0.65 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.76 3k1q h SER 455 CO 1.62 0.00 1.10 0.21 -0.87 0.00 0.00 176.83 178.89 3k1q s ASN 456 N -5.52 6.52 0.00 4.97 3.04 -1.26 -4.98 114.94 117.71 3k1q s ASN 456 Ca -0.05 2.57 0.00 0.00 0.04 0.00 0.00 52.86 55.43 3k1q s ASN 456 Cb 0.17 -2.55 0.00 0.00 -1.54 0.00 0.00 41.25 37.33 3k1q s ASN 456 CO 0.62 -0.96 0.71 -0.81 -3.04 0.00 0.00 177.10 173.62 3k1q n PRO 457 N 6.27 0.00 -3.65 0.43 -0.04 -1.25 -4.83 135.00 131.92 3k1q n PRO 457 Ca 0.17 0.29 -0.02 0.00 -0.04 0.00 0.00 63.50 63.90 3k1q n PRO 457 Cb 0.40 -1.21 -0.07 0.00 -0.04 0.00 0.00 33.50 32.58 3k1q n PRO 457 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3k1q s THR 458 N -1.86 0.00 -0.45 0.52 -1.32 -1.26 -4.21 115.64 107.06 3k1q s THR 458 Ca 0.00 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.52 3k1q s THR 458 Cb 0.00 -1.00 0.54 0.00 -1.51 0.00 0.00 72.50 70.53 3k1q s THR 458 CO 0.00 0.00 1.74 0.18 -2.21 0.00 0.00 174.62 174.33 3k1q n LEU 459 N 1.41 6.11 -4.57 9.08 4.77 -1.26 -3.63 117.00 128.91 3k1q n LEU 459 Ca -0.09 -4.00 -0.43 0.00 -0.03 0.00 0.00 56.01 51.46 3k1q n LEU 459 Cb 0.57 -0.77 -0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3k1q n LEU 459 CO 0.02 1.36 1.87 -0.32 -1.33 0.00 0.00 177.39 178.99 3k1q s MET 460 N -3.48 3.95 -0.94 3.23 1.75 -1.26 -4.92 119.30 117.62 3k1q s MET 460 Ca 0.55 -1.94 -0.07 0.00 -1.25 0.00 0.00 55.69 52.98 3k1q s MET 460 Cb 0.46 -5.48 0.24 0.00 2.84 0.00 0.00 34.83 32.89 3k1q s MET 460 CO 0.04 -2.21 0.87 -0.51 -0.65 0.00 0.00 175.02 172.56 3k1q s ASP 461 N 4.21 6.60 0.00 1.11 1.11 -1.26 -4.74 116.67 123.70 3k1q s ASP 461 Ca 0.52 -3.38 0.00 0.00 0.18 0.00 0.00 52.55 49.87 3k1q s ASP 461 Cb 0.03 -2.08 0.00 0.00 1.07 0.00 0.00 42.92 41.94 3k1q s ASP 461 CO 0.05 -0.32 0.00 0.61 1.18 0.00 0.00 175.17 176.69 3k1q n GLY 462 N 2.92 2.59 3.57 0.21 0.00 -1.26 -4.74 105.19 108.48 3k1q n GLY 462 Ca 0.19 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3k1q n GLY 462 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k1q s LEU 463 N 0.00 2.99 -0.38 0.99 2.96 0.01 -4.10 118.68 121.16 3k1q s LEU 463 Ca 0.00 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 3k1q s LEU 463 Cb 0.00 -1.77 0.12 0.00 0.50 0.00 0.00 46.19 45.04 3k1q s LEU 463 CO 0.00 0.16 0.17 -0.22 -1.32 0.00 0.00 176.35 175.14 3k1q s LEU 464 N -2.34 2.52 -0.77 -0.68 2.96 -0.07 0.43 118.68 120.74 3k1q s LEU 464 Ca 0.22 -2.18 -0.18 0.00 -0.22 0.00 0.00 54.13 51.76 3k1q s LEU 464 Cb -0.11 -0.96 0.13 0.00 0.50 0.00 0.00 46.19 45.75 3k1q s LEU 464 CO 0.14 -0.33 0.90 -0.89 -1.32 0.00 0.00 176.35 174.84 3k1q s THR 465 N 0.93 4.89 -0.01 3.68 2.01 0.33 -1.18 115.64 126.29 3k1q s THR 465 Ca 0.14 -1.43 -0.30 0.00 0.31 0.00 0.00 61.69 60.42 3k1q s THR 465 Cb -0.21 -4.61 -0.08 0.00 0.01 0.00 0.00 72.50 67.60 3k1q s THR 465 CO -0.10 -1.28 1.91 -0.69 -0.69 0.00 0.00 174.62 173.77 3k1q s VAL 466 N 2.35 3.15 -1.20 3.82 1.01 -0.17 -1.81 120.40 127.54 3k1q s VAL 466 Ca 0.22 0.18 -0.13 0.00 0.00 0.00 0.00 61.98 62.24 3k1q s VAL 466 Cb -0.14 -3.12 0.18 0.00 0.00 0.00 0.00 36.38 33.30 3k1q s VAL 466 CO -0.02 -0.02 1.41 -0.89 0.00 0.00 0.00 175.10 175.58 3k1q s THR 467 N 4.65 5.11 -0.77 3.92 2.01 -0.77 -1.47 115.64 128.32 3k1q s THR 467 Ca 0.86 -2.71 -0.25 0.00 0.31 0.00 0.00 61.69 59.91 3k1q s THR 467 Cb -0.40 -4.89 -0.19 0.00 0.01 0.00 0.00 72.50 67.03 3k1q s THR 467 CO 0.38 -1.59 1.88 -0.81 -0.69 0.00 0.00 174.62 173.80 3k1q n PRO 468 N 5.41 1.07 -0.29 4.92 -0.04 -1.26 -0.19 135.00 144.62 3k1q n PRO 468 Ca 0.36 -1.84 0.09 0.00 -0.04 0.00 0.00 63.50 62.07 3k1q n PRO 468 Cb 0.42 -3.19 0.25 0.00 -0.04 0.00 0.00 33.50 30.95 3k1q n PRO 468 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3k1q h VAL 469 N 5.31 0.58 -1.75 0.52 -1.51 -1.79 -3.31 116.25 114.31 3k1q h VAL 469 Ca 0.28 -0.16 -0.69 0.00 -1.23 0.00 0.00 66.70 64.91 3k1q h VAL 469 Cb 0.79 0.08 -0.14 0.00 -2.13 0.00 0.00 31.29 29.89 3k1q h VAL 469 CO 1.66 0.08 1.43 -0.22 -1.23 0.00 0.00 177.57 179.30 3k1q s LEU 470 N -10.45 4.50 0.13 4.19 2.96 -0.63 -4.74 118.68 114.64 3k1q s LEU 470 Ca -0.12 -2.34 0.11 0.00 -0.22 0.00 0.00 54.13 51.56 3k1q s LEU 470 Cb 0.23 -2.47 0.53 0.00 0.50 0.00 0.00 46.19 44.98 3k1q s LEU 470 CO 0.77 -1.07 1.33 0.18 -1.32 0.00 0.00 176.35 176.24 3k1q n LEU 471 N 7.09 0.24 -4.60 -0.68 4.32 -1.25 -4.63 117.00 117.50 3k1q n LEU 471 Ca 0.35 0.60 -0.43 0.00 -0.02 0.00 0.00 56.01 56.52 3k1q n LEU 471 Cb 0.47 -0.62 -0.02 0.00 -1.62 0.00 0.00 43.42 41.63 3k1q n LEU 471 CO 0.63 -0.63 1.36 -0.13 -1.22 0.00 0.00 177.39 177.40 3k1q s ARG 472 N -3.21 3.44 0.00 3.23 1.81 -1.26 -4.60 118.95 118.36 3k1q s ARG 472 Ca 0.00 1.09 0.00 0.00 -1.72 0.00 0.00 55.73 55.10 3k1q s ARG 472 Cb 0.04 -4.11 0.00 0.00 -0.45 0.00 0.00 34.95 30.43 3k1q s ARG 472 CO 0.12 -1.73 0.00 -1.91 -0.68 0.00 0.00 175.30 171.10 3k1q n GLU 473 N 8.28 0.00 -2.65 3.54 2.13 -1.26 -4.95 120.64 125.72 3k1q n GLU 473 Ca 0.19 0.34 -0.41 0.00 0.66 0.00 0.00 57.16 57.94 3k1q n GLU 473 Cb 0.48 -0.87 -0.04 0.00 0.27 0.00 0.00 31.44 31.28 3k1q n GLU 473 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3k1q s THR 474 N -0.37 4.33 0.08 6.31 -4.23 -1.25 -4.75 115.64 115.74 3k1q s THR 474 Ca 0.00 1.91 -0.31 0.00 -1.18 0.00 0.00 61.69 62.11 3k1q s THR 474 Cb 0.00 -4.22 -0.08 0.00 1.34 0.00 0.00 72.50 69.54 3k1q s THR 474 CO 0.00 0.28 1.55 -0.89 -0.54 0.00 0.00 174.62 175.02 3k1q s THR 475 N 0.07 3.15 -0.79 3.99 2.01 -0.45 -4.33 115.64 119.30 3k1q s THR 475 Ca 0.49 0.67 -0.15 0.00 0.31 0.00 0.00 61.69 63.01 3k1q s THR 475 Cb -0.25 -3.43 0.19 0.00 0.01 0.00 0.00 72.50 69.02 3k1q s THR 475 CO 0.31 0.01 0.76 -0.47 -0.69 0.00 0.00 174.62 174.54 3k1q s TYR 476 N 2.14 3.60 -0.68 4.92 5.04 -0.67 -1.99 117.35 129.71 3k1q s TYR 476 Ca 0.70 -1.79 -0.06 0.00 -2.44 0.00 0.00 57.07 53.48 3k1q s TYR 476 Cb -0.38 -3.87 0.01 0.00 0.35 0.00 0.00 41.96 38.07 3k1q s TYR 476 CO 0.31 -1.05 0.66 1.63 -1.34 0.00 0.00 175.55 175.75 3k1q n LYS 477 N 4.49 -1.62 0.00 4.97 5.02 -1.26 -1.25 118.16 128.52 3k1q n LYS 477 Ca 0.10 1.48 0.00 0.00 -2.02 0.00 0.00 58.31 57.86 3k1q n LYS 477 Cb 0.46 -4.83 0.00 0.00 -0.02 0.00 0.00 35.03 30.64 3k1q n LYS 477 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k1q n GLY 478 N -1.35 1.19 3.51 0.72 0.00 -1.26 -4.93 105.19 103.08 3k1q n GLY 478 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3k1q n GLY 478 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k1q s GLU 479 N 0.00 3.27 -0.88 1.61 2.02 -0.38 -4.95 118.70 119.40 3k1q s GLU 479 Ca 0.00 -0.71 -0.26 0.00 0.02 0.00 0.00 54.97 54.03 3k1q s GLU 479 Cb 0.00 -4.47 -0.12 0.00 0.10 0.00 0.00 34.13 29.64 3k1q s GLU 479 CO 0.00 -2.03 2.23 0.08 0.02 0.00 0.00 175.26 175.56 3k1q s VAL 480 N 4.84 3.15 0.09 2.63 1.01 -1.26 -1.67 120.40 129.19 3k1q s VAL 480 Ca 0.33 -0.15 0.09 0.00 0.00 0.00 0.00 61.98 62.25 3k1q s VAL 480 Cb -0.09 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 3k1q s VAL 480 CO 0.07 -0.31 -0.23 0.54 0.00 0.00 0.00 175.10 175.17 3k1q s VAL 481 N 13.74 2.45 -1.38 2.92 0.11 -1.26 -5.01 120.40 131.98 3k1q s VAL 481 Ca 0.84 -1.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.39 3k1q s VAL 481 Cb -0.10 -2.05 0.00 0.00 -1.53 0.00 0.00 36.38 32.70 3k1q s VAL 481 CO 0.07 0.21 0.41 0.47 -3.33 0.00 0.00 175.10 172.93 3k1q n ASP 482 N 1.23 0.37 -4.15 3.54 8.00 -1.26 -3.80 116.55 120.49 3k1q n ASP 482 Ca -0.17 -1.20 -0.27 0.00 0.71 0.00 0.00 54.79 53.86 3k1q n ASP 482 Cb 0.52 -0.19 -0.16 0.00 -0.02 0.00 0.00 41.12 41.28 3k1q n ASP 482 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k1q s ALA 483 N -1.38 1.65 -0.23 2.24 0.00 -1.26 -0.28 121.76 122.50 3k1q s ALA 483 Ca 0.00 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.24 3k1q s ALA 483 Cb 0.00 -0.56 0.05 0.00 0.00 0.00 0.00 23.12 22.61 3k1q s ALA 483 CO 0.00 0.28 -0.11 0.42 0.00 0.00 0.00 175.76 176.35 3k1q s ILE 484 N 0.10 1.93 -0.66 0.00 -1.09 0.33 -4.55 121.20 117.26 3k1q s ILE 484 Ca -0.06 -1.32 0.01 0.00 -2.23 0.00 0.00 60.65 57.05 3k1q s ILE 484 Cb -0.13 -2.01 0.16 0.00 -1.58 0.00 0.00 42.46 38.91 3k1q s ILE 484 CO 0.03 0.09 0.46 0.68 -1.23 0.00 0.00 174.94 174.97 3k1q s VAL 485 N 1.24 3.29 0.10 2.92 -7.23 -1.26 -2.94 120.40 116.53 3k1q s VAL 485 Ca -0.05 -3.54 -0.32 0.00 -1.81 0.00 0.00 61.98 56.26 3k1q s VAL 485 Cb -0.18 -3.16 -0.12 0.00 0.56 0.00 0.00 36.38 33.48 3k1q s VAL 485 CO -0.07 -0.92 1.59 -0.65 -0.31 0.00 0.00 175.10 174.74 3k1q h PRO 486 N 6.30 -0.71 -0.46 4.82 0.11 -1.68 -2.88 132.00 137.51 3k1q h PRO 486 Ca 0.03 0.05 0.13 0.00 0.11 0.00 0.00 66.00 66.32 3k1q h PRO 486 Cb 0.86 0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3k1q h PRO 486 CO 0.73 -0.47 0.36 0.00 -0.21 0.00 0.00 178.00 178.41 3k1q h ALA 487 N -0.31 2.34 0.00 -0.75 0.00 -1.07 -0.97 119.26 118.50 3k1q h ALA 487 Ca -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3k1q h ALA 487 Cb 0.70 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3k1q h ALA 487 CO -0.15 -0.59 -0.55 1.79 0.00 0.00 0.00 179.25 179.75 3k1q h THR 488 N 0.00 0.17 -0.38 0.00 1.35 -1.68 -3.33 112.91 109.05 3k1q h THR 488 Ca 0.22 -1.27 0.02 0.00 -0.55 0.00 0.00 66.41 64.82 3k1q h THR 488 Cb 0.93 1.89 -0.02 0.00 -1.73 0.00 0.00 68.15 69.22 3k1q h THR 488 CO -0.00 0.10 0.25 0.58 -0.25 0.00 0.00 175.52 176.20 3k1q h VAL 489 N 0.00 1.06 -1.77 6.82 2.07 -0.95 -3.43 116.25 120.06 3k1q h VAL 489 Ca -0.02 -0.16 -0.66 0.00 0.82 0.00 0.00 66.70 66.68 3k1q h VAL 489 Cb 1.11 0.56 0.09 0.00 -1.52 0.00 0.00 31.29 31.53 3k1q h VAL 489 CO 0.01 0.08 0.09 0.80 0.02 0.00 0.00 177.57 178.58 3k1q n MET 490 N -4.48 0.88 -1.38 1.57 0.00 -1.21 -1.88 117.12 110.61 3k1q n MET 490 Ca 0.03 0.31 -0.13 0.00 0.00 0.00 0.00 57.70 57.91 3k1q n MET 490 Cb 0.10 -1.71 -0.06 0.00 0.00 0.00 0.00 33.22 31.56 3k1q n MET 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3k1q n ALA 491 N 1.06 -0.20 -1.52 -5.12 0.00 -1.26 -4.77 120.51 108.70 3k1q n ALA 491 Ca 0.15 0.22 0.07 0.00 0.00 0.00 0.00 53.44 53.88 3k1q n ALA 491 Cb 0.24 -1.43 0.19 0.00 0.00 0.00 0.00 19.45 18.45 3k1q n ALA 491 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3k1q n ASN 492 N -0.54 1.81 -3.67 0.00 3.02 -0.79 -4.70 115.26 110.39 3k1q n ASN 492 Ca -0.13 -3.68 -0.12 0.00 -0.03 0.00 0.00 54.58 50.61 3k1q n ASN 492 Cb 0.45 -0.50 -0.12 0.00 -0.61 0.00 0.00 39.78 38.99 3k1q n ASN 492 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3k1q s GLN 493 N -3.06 0.20 0.47 3.52 -1.52 -1.26 -5.06 119.66 112.95 3k1q s GLN 493 Ca 0.36 0.80 -0.06 0.00 -1.95 0.00 0.00 55.36 54.52 3k1q s GLN 493 Cb 0.35 0.04 -0.04 0.00 -0.22 0.00 0.00 33.01 33.14 3k1q s GLN 493 CO -0.05 -0.26 0.78 0.95 -0.25 0.00 0.00 175.29 176.45 3k1q s THR 494 N 2.33 4.90 0.24 -0.19 -4.23 -1.26 -1.04 115.64 116.39 3k1q s THR 494 Ca -0.01 0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 60.69 3k1q s THR 494 Cb -0.12 -3.85 0.22 0.00 1.34 0.00 0.00 72.50 70.10 3k1q s THR 494 CO -0.10 -0.80 1.87 0.28 -0.54 0.00 0.00 174.62 175.33 3k1q h SER 495 N 0.37 0.91 -0.85 3.99 0.02 -1.95 -0.40 113.55 115.64 3k1q h SER 495 Ca -0.47 0.01 0.18 0.00 -0.84 0.00 0.00 61.79 60.67 3k1q h SER 495 Cb 1.20 -0.19 -0.11 0.00 0.14 0.00 0.00 62.40 63.45 3k1q h SER 495 CO 0.62 0.59 0.38 -0.08 -1.14 0.00 0.00 176.83 177.20 3k1q h GLU 496 N 1.05 0.45 -0.09 3.45 4.22 -1.99 -0.08 114.58 121.59 3k1q h GLU 496 Ca 0.38 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.76 3k1q h GLU 496 Cb 0.11 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 3k1q h GLU 496 CO -0.15 0.30 -0.06 0.93 -2.18 0.00 0.00 179.01 177.85 3k1q h GLU 497 N 0.47 0.20 0.02 1.92 5.08 -1.41 -0.99 114.58 119.86 3k1q h GLU 497 Ca 0.50 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.80 3k1q h GLU 497 Cb 0.85 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 3k1q h GLU 497 CO -0.46 0.58 -0.29 0.28 -1.00 0.00 0.00 179.01 178.12 3k1q h VAL 498 N -0.19 0.35 -0.68 3.13 2.07 -1.00 0.49 116.25 120.42 3k1q h VAL 498 Ca 0.02 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.66 3k1q h VAL 498 Cb 0.53 0.35 -0.09 0.00 -1.52 0.00 0.00 31.29 30.57 3k1q h VAL 498 CO 0.02 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.85 3k1q h ALA 499 N 0.30 0.90 -0.75 1.67 0.00 -0.93 -2.58 119.26 117.87 3k1q h ALA 499 Ca 0.06 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3k1q h ALA 499 Cb 0.53 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3k1q h ALA 499 CO -0.24 -0.22 0.48 0.66 0.00 0.00 0.00 179.25 179.93 3k1q h SER 500 N 0.40 0.87 -1.90 0.00 4.64 -0.26 -3.48 113.55 113.81 3k1q h SER 500 Ca 0.36 -0.04 -0.63 0.00 -0.47 0.00 0.00 61.79 61.01 3k1q h SER 500 Cb 0.51 -0.22 0.11 0.00 -0.31 0.00 0.00 62.40 62.50 3k1q h SER 500 CO -0.37 0.65 -0.17 0.00 -0.87 0.00 0.00 176.83 176.06 3k1q n ALA 501 N -2.31 -1.35 -1.75 5.18 0.00 0.16 -4.94 120.51 115.50 3k1q n ALA 501 Ca 0.07 0.39 -0.38 0.00 0.00 0.00 0.00 53.44 53.52 3k1q n ALA 501 Cb 0.03 -1.84 0.04 0.00 0.00 0.00 0.00 19.45 17.68 3k1q n ALA 501 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k1q s LEU 502 N 1.54 3.82 0.37 0.00 1.43 -1.26 -4.91 118.68 119.67 3k1q s LEU 502 Ca 0.61 2.69 0.20 0.00 -1.03 0.00 0.00 54.13 56.60 3k1q s LEU 502 Cb -0.78 -4.34 1.29 0.00 0.03 0.00 0.00 46.19 42.40 3k1q s LEU 502 CO 0.58 -1.58 1.60 0.00 0.23 0.00 0.00 176.35 177.19 3k1q h ALA 503 N 1.35 2.16 0.00 4.21 0.00 -1.92 -0.73 119.26 124.34 3k1q h ALA 503 Ca -0.51 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3k1q h ALA 503 Cb 1.30 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3k1q h ALA 503 CO 0.57 -0.90 0.00 -1.71 0.00 0.00 0.00 179.25 177.21 3k1q n ASN 504 N -5.16 1.17 -4.18 0.00 2.85 -1.26 -4.83 115.26 103.84 3k1q n ASN 504 Ca 0.37 -1.33 -0.31 0.00 -0.11 0.00 0.00 54.58 53.19 3k1q n ASN 504 Cb 1.23 -0.33 -0.17 0.00 1.24 0.00 0.00 39.78 41.75 3k1q n ASN 504 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3k1q s ASP 505 N 0.17 2.90 0.00 1.20 -1.08 -0.28 -1.34 116.67 118.24 3k1q s ASP 505 Ca 0.00 -0.53 0.00 0.00 -0.52 0.00 0.00 52.55 51.50 3k1q s ASP 505 Cb 0.00 -1.33 0.00 0.00 -1.46 0.00 0.00 42.92 40.13 3k1q s ASP 505 CO 0.00 0.13 0.00 0.00 0.52 0.00 0.00 175.17 175.82 3k1q n ALA 506 N 3.65 0.00 -0.35 3.66 0.00 -0.84 -1.25 120.51 125.39 3k1q n ALA 506 Ca -0.20 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.18 3k1q n ALA 506 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 3k1q n ALA 506 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3k1q n ILE 507 N -3.89 -0.53 0.17 0.00 -0.00 -1.26 -1.40 119.36 112.45 3k1q n ILE 507 Ca 0.00 2.03 0.04 0.00 -0.00 0.00 0.00 62.75 64.82 3k1q n ILE 507 Cb 0.00 -2.57 0.25 0.00 -0.00 0.00 0.00 39.64 37.32 3k1q n ILE 507 CO 0.00 0.00 0.00 -0.37 -0.00 0.00 0.00 176.55 176.18 3k1q h VAL 508 N 0.00 0.98 -0.52 7.28 -1.51 -1.50 -2.22 116.25 118.77 3k1q h VAL 508 Ca 0.19 -1.79 -0.05 0.00 -1.23 0.00 0.00 66.70 63.82 3k1q h VAL 508 Cb 0.41 2.07 -0.02 0.00 -2.13 0.00 0.00 31.29 31.62 3k1q h VAL 508 CO -0.81 0.44 0.11 -0.07 -1.23 0.00 0.00 177.57 176.01 3k1q h LEU 509 N 0.00 0.80 0.08 4.19 3.38 -1.36 -0.64 115.31 121.76 3k1q h LEU 509 Ca -0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 3k1q h LEU 509 Cb 1.04 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3k1q h LEU 509 CO 0.06 0.84 -0.04 0.58 0.09 0.00 0.00 178.44 179.97 3k1q h VAL 510 N 0.72 1.09 -0.77 1.22 2.07 -1.24 -1.31 116.25 118.04 3k1q h VAL 510 Ca 0.16 -0.61 0.09 0.00 0.82 0.00 0.00 66.70 67.16 3k1q h VAL 510 Cb 0.36 1.49 -0.07 0.00 -1.52 0.00 0.00 31.29 31.55 3k1q h VAL 510 CO 0.01 0.15 0.41 -1.28 0.02 0.00 0.00 177.57 176.88 3k1q h SER 511 N -0.38 0.57 -0.70 0.57 0.87 -1.25 0.41 113.55 113.64 3k1q h SER 511 Ca -0.01 0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.66 3k1q h SER 511 Cb 0.33 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.19 3k1q h SER 511 CO 0.02 0.32 0.41 0.78 -0.53 0.00 0.00 176.83 177.83 3k1q h ASN 512 N 0.70 0.62 -0.04 6.23 4.21 -0.02 0.64 115.58 127.92 3k1q h ASN 512 Ca 0.37 0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.91 3k1q h ASN 512 Cb 0.37 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 37.46 3k1q h ASN 512 CO -0.26 0.40 0.02 0.45 -1.29 0.00 0.00 177.43 176.76 3k1q h HIS 513 N 0.75 0.06 -0.66 1.19 3.86 -0.54 -3.13 115.15 116.68 3k1q h HIS 513 Ca 0.31 -0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.71 3k1q h HIS 513 Cb 0.16 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 3k1q h HIS 513 CO -0.07 0.10 0.49 -0.07 0.86 0.00 0.00 177.93 179.25 3k1q h LEU 514 N -0.00 0.00 -0.52 2.43 3.38 0.05 -1.72 115.31 118.93 3k1q h LEU 514 Ca 0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 3k1q h LEU 514 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3k1q h LEU 514 CO -0.00 0.00 -0.36 0.78 0.09 0.00 0.00 178.44 178.94 3k1q h ASN 515 N 0.00 0.85 -0.78 -0.43 4.21 0.31 -0.99 115.58 118.75 3k1q h ASN 515 Ca 0.31 -0.37 -0.05 0.00 1.21 0.00 0.00 56.30 57.40 3k1q h ASN 515 Cb 1.30 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 38.22 3k1q h ASN 515 CO -0.00 1.12 0.29 0.11 -1.29 0.00 0.00 177.43 177.66 3k1q h LYS 516 N 0.67 1.19 -0.04 0.81 1.57 -1.34 -0.56 116.57 118.87 3k1q h LYS 516 Ca 0.06 -0.23 0.03 0.00 -1.87 0.00 0.00 60.65 58.64 3k1q h LYS 516 Cb 0.92 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 3k1q h LYS 516 CO 0.08 0.97 -0.12 1.25 -0.57 0.00 0.00 179.45 181.06 3k1q h LEU 517 N 1.15 -0.37 -0.89 2.94 5.85 -1.39 -1.90 115.31 120.69 3k1q h LEU 517 Ca 0.26 0.06 0.17 0.00 0.84 0.00 0.00 57.88 59.21 3k1q h LEU 517 Cb 0.25 0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.34 3k1q h LEU 517 CO -0.02 -0.17 0.47 0.00 -0.34 0.00 0.00 178.44 178.38 3k1q h ALA 518 N 0.81 1.40 -0.59 1.25 0.00 -0.65 -1.66 119.26 119.82 3k1q h ALA 518 Ca 0.06 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.13 3k1q h ALA 518 Cb 0.27 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 3k1q h ALA 518 CO -0.15 -0.12 0.29 -0.97 0.00 0.00 0.00 179.25 178.30 3k1q h ASN 519 N 0.63 0.39 0.12 0.00 -1.24 -0.38 0.20 115.58 115.29 3k1q h ASN 519 Ca 0.51 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.55 3k1q h ASN 519 Cb 0.77 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.80 3k1q h ASN 519 CO -0.39 0.25 -0.06 0.58 -1.29 0.00 0.00 177.43 176.52 3k1q h VAL 520 N 0.53 0.90 -0.48 2.57 2.07 -0.63 -2.59 116.25 118.62 3k1q h VAL 520 Ca 0.28 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.73 3k1q h VAL 520 Cb 0.23 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3k1q h VAL 520 CO -0.21 0.01 0.28 0.58 0.02 0.00 0.00 177.57 178.25 3k1q h VAL 521 N -0.18 1.16 -0.42 2.57 2.07 -0.31 -1.24 116.25 119.89 3k1q h VAL 521 Ca -0.02 -0.39 -0.11 0.00 0.82 0.00 0.00 66.70 67.01 3k1q h VAL 521 Cb 0.14 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3k1q h VAL 521 CO 0.03 0.17 -0.17 1.23 0.02 0.00 0.00 177.57 178.84 3k1q h GLY 522 N 0.64 0.87 1.73 2.17 0.00 -0.81 0.31 103.07 107.98 3k1q h GLY 522 Ca 0.17 -0.70 -0.21 0.00 0.00 0.00 0.00 47.33 46.59 3k1q h GLY 522 CO -0.03 0.64 -0.92 -0.55 0.00 0.00 0.00 176.54 175.68 3k1q h ASP 523 N 0.71 0.32 0.00 0.19 3.32 -1.42 -3.36 116.42 116.17 3k1q h ASP 523 Ca 0.11 -0.26 -0.32 0.00 0.02 0.00 0.00 57.03 56.57 3k1q h ASP 523 Cb 0.68 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.07 3k1q h ASP 523 CO 0.05 1.08 -2.21 0.00 -1.72 0.00 0.00 179.24 176.44 3k1q n ALA 524 N -2.48 1.54 -2.80 3.45 0.00 -0.47 -5.00 120.51 114.75 3k1q n ALA 524 Ca -0.04 -0.90 -0.36 0.00 0.00 0.00 0.00 53.44 52.14 3k1q n ALA 524 Cb 0.83 0.02 -0.08 0.00 0.00 0.00 0.00 19.45 20.23 3k1q n ALA 524 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3k1q s ILE 525 N -2.42 5.08 -1.45 0.00 1.09 0.11 -4.82 121.20 118.79 3k1q s ILE 525 Ca -0.29 0.06 -0.14 0.00 -1.10 0.00 0.00 60.65 59.18 3k1q s ILE 525 Cb 0.08 -3.24 0.04 0.00 -1.06 0.00 0.00 42.46 38.28 3k1q s ILE 525 CO 0.48 0.55 2.21 -0.81 -0.10 0.00 0.00 174.94 177.27 3k1q n PRO 526 N 2.68 2.88 -0.93 2.79 -0.04 -1.26 -4.40 135.00 136.72 3k1q n PRO 526 Ca -0.18 -2.64 -0.09 0.00 -0.04 0.00 0.00 63.50 60.55 3k1q n PRO 526 Cb 0.53 -3.28 0.24 0.00 -0.04 0.00 0.00 33.50 30.95 3k1q n PRO 526 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3k1q n VAL 527 N 5.07 2.66 0.00 0.52 0.24 -1.26 -4.41 118.33 121.15 3k1q n VAL 527 Ca 0.52 -1.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.37 3k1q n VAL 527 Cb 0.39 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 3k1q n VAL 527 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3k1q n ALA 528 N -0.27 0.00 -0.00 2.33 0.00 -1.26 -4.86 120.51 116.45 3k1q n ALA 528 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3k1q n ALA 528 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.76 3k1q n ALA 528 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3k1q n SER 529 N 0.00 0.00 0.00 0.00 7.64 -1.26 -3.47 113.62 116.52 3k1q n SER 529 Ca 0.00 -1.35 0.00 0.00 1.01 0.00 0.00 58.87 58.53 3k1q n SER 529 Cb 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 3k1q n SER 529 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3k1q n ARG 530 N 2.89 0.00 -2.44 1.43 1.85 -1.26 -4.93 116.66 114.21 3k1q n ARG 530 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.46 3k1q n ARG 530 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 3k1q n ARG 530 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3k1q s THR 531 N -1.70 3.74 -0.49 8.89 -4.23 -1.23 -4.96 115.64 115.66 3k1q s THR 531 Ca 0.00 -0.25 -0.29 0.00 -1.18 0.00 0.00 61.69 59.97 3k1q s THR 531 Cb 0.00 -4.77 0.03 0.00 1.34 0.00 0.00 72.50 69.10 3k1q s THR 531 CO 0.00 -1.69 1.17 -0.62 -0.54 0.00 0.00 174.62 172.95 3k1q s ASP 532 N 5.29 6.57 -0.10 3.99 2.15 -1.26 -4.53 116.67 128.78 3k1q s ASP 532 Ca 0.48 0.42 -0.00 0.00 0.43 0.00 0.00 52.55 53.88 3k1q s ASP 532 Cb -0.05 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 40.00 3k1q s ASP 532 CO 0.02 -1.31 -0.08 -0.62 -0.17 0.00 0.00 175.17 173.01 3k1q s ASP 533 N 2.67 4.53 0.36 -0.34 2.15 -1.26 -5.04 116.67 119.74 3k1q s ASP 533 Ca 0.48 -0.12 0.31 0.00 0.43 0.00 0.00 52.55 53.64 3k1q s ASP 533 Cb -0.08 -1.41 1.05 0.00 -0.30 0.00 0.00 42.92 42.18 3k1q s ASP 533 CO 0.31 0.27 0.97 -1.54 -0.17 0.00 0.00 175.17 175.01 3k1q n SER 534 N 2.86 0.00 -0.36 -0.34 3.41 -1.26 -0.18 113.62 117.75 3k1q n SER 534 Ca -0.18 0.61 0.28 0.00 -0.26 0.00 0.00 58.87 59.33 3k1q n SER 534 Cb 0.53 -0.30 0.54 0.00 -0.26 0.00 0.00 64.21 64.72 3k1q n SER 534 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k1q h ALA 535 N 0.60 2.24 0.00 7.33 0.00 -1.99 -2.31 119.26 125.13 3k1q h ALA 535 Ca 0.57 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.63 3k1q h ALA 535 Cb 2.35 0.16 0.00 0.00 0.00 0.00 0.00 17.79 20.30 3k1q h ALA 535 CO -0.01 -0.84 0.00 0.25 0.00 0.00 0.00 179.25 178.65 3k1q n THR 536 N -4.89 0.00 0.30 0.00 -2.24 0.75 -4.18 114.28 104.02 3k1q n THR 536 Ca 0.33 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 62.29 3k1q n THR 536 Cb 1.12 -0.58 0.92 0.00 -2.10 0.00 0.00 70.33 69.68 3k1q n THR 536 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3k1q h SER 537 N 0.00 0.00 -0.01 3.42 4.64 -1.62 -3.15 113.55 116.83 3k1q h SER 537 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3k1q h SER 537 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3k1q h SER 537 CO 0.00 0.04 -0.07 0.00 -0.87 0.00 0.00 176.83 175.92 3k1q h ALA 538 N 1.96 -0.07 -0.30 5.18 0.00 -1.85 0.17 119.26 124.35 3k1q h ALA 538 Ca -0.00 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3k1q h ALA 538 Cb 0.23 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3k1q h ALA 538 CO 0.00 -0.56 -0.14 -0.84 0.00 0.00 0.00 179.25 177.71 3k1q h ILE 539 N -0.13 1.24 -0.24 0.00 3.07 -1.85 -2.73 117.51 116.87 3k1q h ILE 539 Ca 0.03 -1.08 -0.16 0.00 1.55 0.00 0.00 64.86 65.20 3k1q h ILE 539 Cb 0.17 1.17 -0.00 0.00 -0.27 0.00 0.00 36.82 37.88 3k1q h ILE 539 CO -0.09 0.35 -0.52 0.58 -1.05 0.00 0.00 178.15 177.43 3k1q h VAL 540 N 0.48 1.30 -0.42 0.16 2.07 -1.00 -1.35 116.25 117.49 3k1q h VAL 540 Ca 0.09 -1.73 -0.05 0.00 0.82 0.00 0.00 66.70 65.83 3k1q h VAL 540 Cb 0.53 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 3k1q h VAL 540 CO 0.03 0.55 0.07 0.28 0.02 0.00 0.00 177.57 178.53 3k1q h SER 541 N 0.52 0.60 -0.40 0.57 0.02 -0.49 0.83 113.55 115.21 3k1q h SER 541 Ca 0.02 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.79 3k1q h SER 541 Cb 1.08 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 3k1q h SER 541 CO 0.10 0.62 -0.05 -0.09 -1.14 0.00 0.00 176.83 176.28 3k1q h ARG 542 N 0.62 0.74 -0.62 3.45 9.65 -1.36 -2.81 114.38 124.06 3k1q h ARG 542 Ca 0.14 -0.26 0.01 0.00 -1.10 0.00 0.00 59.98 58.77 3k1q h ARG 542 Cb 0.28 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.77 3k1q h ARG 542 CO 0.00 0.85 0.40 -0.07 2.80 0.00 0.00 179.97 183.96 3k1q h LEU 543 N 0.56 0.68 -0.97 3.80 3.38 0.00 -1.61 115.31 121.16 3k1q h LEU 543 Ca 0.11 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3k1q h LEU 543 Cb 0.55 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3k1q h LEU 543 CO 0.03 0.49 0.65 0.00 0.09 0.00 0.00 178.44 179.69 3k1q h ALA 544 N 1.24 1.23 0.08 1.53 0.00 0.81 -1.15 119.26 123.00 3k1q h ALA 544 Ca 0.24 -0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.83 3k1q h ALA 544 Cb -0.05 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 17.34 3k1q h ALA 544 CO -0.07 0.63 -1.11 0.28 0.00 0.00 0.00 179.25 178.98 3k1q h VAL 545 N 1.32 1.50 -0.26 0.00 2.07 -1.30 -3.15 116.25 116.43 3k1q h VAL 545 Ca 0.36 -2.91 0.02 0.00 0.82 0.00 0.00 66.70 64.99 3k1q h VAL 545 Cb -0.15 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 3k1q h VAL 545 CO -0.08 0.85 0.17 1.56 0.02 0.00 0.00 177.57 180.10 3k1q h GLN 546 N 0.10 0.27 -0.75 1.57 4.20 -0.65 -2.83 115.11 117.02 3k1q h GLN 546 Ca -0.10 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3k1q h GLN 546 Cb 1.81 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.53 3k1q h GLN 546 CO 0.18 0.18 0.00 1.58 -0.67 0.00 0.00 178.83 180.10 3k1q n HIS 547 N -4.50 0.00 -1.97 2.96 -0.00 -0.50 -4.54 115.22 106.67 3k1q n HIS 547 Ca 0.01 -0.03 -0.41 0.00 0.46 0.00 0.00 57.72 57.75 3k1q n HIS 547 Cb 0.12 -0.08 -0.00 0.00 -0.12 0.00 0.00 29.99 29.91 3k1q n HIS 547 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 3k1q n LYS 548 N 0.18 3.68 -2.63 1.57 3.00 -1.07 -4.80 118.16 118.08 3k1q n LYS 548 Ca 0.00 -3.11 -0.43 0.00 -0.00 0.00 0.00 58.31 54.77 3k1q n LYS 548 Cb 0.19 -2.92 0.00 0.00 0.00 0.00 0.00 35.03 32.30 3k1q n LYS 548 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3k1q n LEU 549 N 3.85 5.06 -4.83 3.14 4.32 -1.26 -4.97 117.00 122.31 3k1q n LEU 549 Ca 0.53 -4.04 -0.36 0.00 -0.02 0.00 0.00 56.01 52.11 3k1q n LEU 549 Cb 0.32 -1.72 -0.07 0.00 -1.62 0.00 0.00 43.42 40.34 3k1q n LEU 549 CO 0.81 0.30 -0.20 -0.55 -1.22 0.00 0.00 177.39 176.54 3k1q s SER 550 N 3.88 6.16 0.00 -1.43 0.15 -1.26 -3.03 113.70 118.16 3k1q s SER 550 Ca 0.51 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.55 3k1q s SER 550 Cb 0.03 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 3k1q s SER 550 CO 0.06 0.38 0.00 0.00 1.20 0.00 0.00 173.24 174.88 3k1q n GLN 551 N 2.16 3.57 -3.82 5.44 3.00 -1.26 -5.01 117.38 121.47 3k1q n GLN 551 Ca -0.19 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.44 3k1q n GLN 551 Cb 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.71 3k1q n GLN 551 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 3k1q s VAL 552 N 2.90 5.35 0.00 5.09 -7.23 -1.26 -4.71 120.40 120.54 3k1q s VAL 552 Ca 0.00 0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.33 3k1q s VAL 552 Cb 0.00 -3.40 0.00 0.00 0.56 0.00 0.00 36.38 33.54 3k1q s VAL 552 CO 0.00 0.50 0.00 0.61 -0.31 0.00 0.00 175.10 175.90 3k1q n GLY 553 N 3.06 1.84 3.53 2.32 0.00 -1.26 -4.54 105.19 110.14 3k1q n GLY 553 Ca -0.17 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 3k1q n GLY 553 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k1q s GLN 554 N 0.00 3.62 1.17 1.61 0.74 -1.26 -5.02 119.66 120.52 3k1q s GLN 554 Ca 0.00 -1.38 -0.15 0.00 0.05 0.00 0.00 55.36 53.88 3k1q s GLN 554 Cb 0.00 -5.23 0.27 0.00 1.10 0.00 0.00 33.01 29.15 3k1q s GLN 554 CO 0.00 -2.07 1.04 0.00 -0.55 0.00 0.00 175.29 173.71 3k1q s ALA 555 N 4.20 0.03 -0.48 1.58 0.00 -1.26 -4.82 121.76 121.01 3k1q s ALA 555 Ca 0.42 -0.47 -0.40 0.00 0.00 0.00 0.00 51.96 51.52 3k1q s ALA 555 Cb -0.01 -3.09 -0.16 0.00 0.00 0.00 0.00 23.12 19.85 3k1q s ALA 555 CO -0.09 -3.66 2.20 0.45 0.00 0.00 0.00 175.76 174.66 3k1q n SER 556 N -4.81 1.24 -4.04 0.00 2.88 -1.17 -4.85 113.62 102.88 3k1q n SER 556 Ca 0.06 0.53 -0.43 0.00 -1.33 0.00 0.00 58.87 57.71 3k1q n SER 556 Cb 0.57 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 3k1q n SER 556 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3k1q n PRO 557 N 7.84 3.52 -3.07 -1.46 -0.04 -1.26 -4.93 135.00 135.60 3k1q n PRO 557 Ca 0.51 -3.58 -0.44 0.00 -0.04 0.00 0.00 63.50 59.94 3k1q n PRO 557 Cb 0.07 -2.98 -0.04 0.00 -0.04 0.00 0.00 33.50 30.51 3k1q n PRO 557 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3k1q s THR 558 N 0.86 4.74 -0.17 0.52 2.01 -1.26 -5.02 115.64 117.31 3k1q s THR 558 Ca 0.41 -0.85 -0.36 0.00 0.31 0.00 0.00 61.69 61.20 3k1q s THR 558 Cb 0.06 -4.51 -0.12 0.00 0.01 0.00 0.00 72.50 67.94 3k1q s THR 558 CO 0.00 -1.16 1.90 -2.65 -0.69 0.00 0.00 174.62 172.02 3k1q n PRO 559 N 6.55 1.81 -0.59 4.92 -0.02 -1.26 -4.60 135.00 141.81 3k1q n PRO 559 Ca -0.08 0.65 -0.22 0.00 -2.02 0.00 0.00 63.50 61.83 3k1q n PRO 559 Cb 0.43 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.37 3k1q n PRO 559 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3k1q n PRO 560 N 6.61 0.00 0.30 0.52 -0.02 -1.26 -4.68 135.00 136.47 3k1q n PRO 560 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3k1q n PRO 560 Cb 0.25 -0.50 0.00 0.00 -0.02 0.00 0.00 33.50 33.23 3k1q n PRO 560 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3k1q n ASP 561 N 0.73 0.00 -0.12 2.55 8.00 -1.26 -3.60 116.55 122.85 3k1q n ASP 561 Ca 0.08 0.45 -0.10 0.00 0.71 0.00 0.00 54.79 55.93 3k1q n ASP 561 Cb 0.07 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.21 3k1q n ASP 561 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 3k1q h TYR 562 N 0.00 1.01 0.00 1.24 -1.99 -1.98 -1.00 116.97 114.25 3k1q h TYR 562 Ca 0.00 -0.25 0.00 0.00 2.00 0.00 0.00 58.73 60.48 3k1q h TYR 562 Cb 1.82 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 40.32 3k1q h TYR 562 CO 0.00 1.03 -0.08 -1.00 -0.00 0.00 0.00 178.16 178.11 3k1q h PRO 563 N 0.75 0.00 0.00 4.88 0.13 -1.90 -3.40 132.00 132.46 3k1q h PRO 563 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3k1q h PRO 563 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3k1q h PRO 563 CO 0.07 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.12 3k1q n LEU 564 N -4.47 0.00 0.03 1.56 4.77 -1.22 -1.18 117.00 116.49 3k1q n LEU 564 Ca -0.01 0.84 -0.04 0.00 -0.03 0.00 0.00 56.01 56.77 3k1q n LEU 564 Cb 0.04 -0.37 0.19 0.00 -2.33 0.00 0.00 43.42 40.95 3k1q n LEU 564 CO 0.02 -0.37 0.69 -0.07 -1.33 0.00 0.00 177.39 176.33 3k1q h LEU 565 N 0.00 0.46 -0.28 2.23 4.07 -1.52 -2.59 115.31 117.68 3k1q h LEU 565 Ca 0.00 -0.17 0.06 0.00 0.08 0.00 0.00 57.88 57.85 3k1q h LEU 565 Cb 0.00 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 41.56 3k1q h LEU 565 CO 0.00 0.75 -0.06 -0.25 -1.08 0.00 0.00 178.44 177.79 3k1q h TRP 566 N 0.39 -0.14 -0.36 1.13 2.91 -1.29 0.31 115.95 118.90 3k1q h TRP 566 Ca 0.05 0.03 -0.14 0.00 1.13 0.00 0.00 58.89 59.95 3k1q h TRP 566 Cb 0.73 0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 29.48 3k1q h TRP 566 CO 0.02 -0.12 -0.33 0.00 -1.03 0.00 0.00 178.44 176.98 3k1q h ARG 567 N 0.01 0.86 -0.90 2.65 3.08 -0.77 -1.28 114.38 118.03 3k1q h ARG 567 Ca 0.14 -0.44 0.10 0.00 0.07 0.00 0.00 59.98 59.84 3k1q h ARG 567 Cb 0.21 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 3k1q h ARG 567 CO -0.29 1.09 0.54 0.00 -1.07 0.00 0.00 179.97 180.24 3k1q h ARG 568 N 0.65 0.88 -0.10 0.04 3.08 -1.25 -1.56 114.38 116.12 3k1q h ARG 568 Ca 0.06 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.89 3k1q h ARG 568 Cb 0.92 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 3k1q h ARG 568 CO 0.08 0.58 -0.66 0.00 -1.07 0.00 0.00 179.97 178.91 3k1q h ALA 569 N 1.47 0.68 -0.11 0.04 0.00 -0.22 -1.90 119.26 119.21 3k1q h ALA 569 Ca 0.43 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3k1q h ALA 569 Cb 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3k1q h ALA 569 CO -0.24 0.74 0.08 -0.22 0.00 0.00 0.00 179.25 179.61 3k1q h LYS 570 N 0.28 0.15 -0.60 0.00 1.63 -0.29 0.67 116.57 118.41 3k1q h LYS 570 Ca -0.02 -0.01 0.11 0.00 -0.85 0.00 0.00 60.65 59.89 3k1q h LYS 570 Cb 1.21 -0.03 -0.12 0.00 -0.60 0.00 0.00 32.23 32.69 3k1q h LYS 570 CO 0.11 0.10 -0.29 0.00 -3.45 0.00 0.00 179.45 175.92 3k1q h ARG 571 N 0.15 -0.12 -0.19 1.90 3.08 -1.11 0.81 114.38 118.90 3k1q h ARG 571 Ca 0.04 0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.98 3k1q h ARG 571 Cb -0.02 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3k1q h ARG 571 CO -0.01 -0.08 -0.40 0.00 -1.07 0.00 0.00 179.97 178.41 3k1q h ALA 572 N 1.15 0.96 -0.58 0.04 0.00 -1.33 -1.07 119.26 118.44 3k1q h ALA 572 Ca 0.25 -0.42 0.10 0.00 0.00 0.00 0.00 54.91 54.84 3k1q h ALA 572 Cb 0.54 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 3k1q h ALA 572 CO -0.67 0.62 0.17 0.00 0.00 0.00 0.00 179.25 179.37 3k1q h ALA 573 N 1.22 0.71 0.10 0.00 0.00 -0.03 0.07 119.26 121.33 3k1q h ALA 573 Ca 0.03 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3k1q h ALA 573 Cb 0.85 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3k1q h ALA 573 CO 0.07 -0.25 -0.14 1.03 0.00 0.00 0.00 179.25 179.96 3k1q h SER 574 N 0.33 -0.39 -0.57 0.00 0.87 -0.72 0.15 113.55 113.21 3k1q h SER 574 Ca 0.30 0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.99 3k1q h SER 574 Cb 0.39 0.15 -0.07 0.00 -0.44 0.00 0.00 62.40 62.43 3k1q h SER 574 CO -0.33 -0.21 0.18 0.24 -0.53 0.00 0.00 176.83 176.17 3k1q h MET 575 N -0.29 0.33 -0.57 2.24 2.86 -1.05 -0.91 114.93 117.55 3k1q h MET 575 Ca 0.02 -0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.74 3k1q h MET 575 Cb 0.30 -0.07 -0.08 0.00 0.06 0.00 0.00 31.60 31.81 3k1q h MET 575 CO -0.07 0.22 0.13 0.35 1.06 0.00 0.00 176.91 178.59 3k1q h PHE 576 N 0.34 0.21 -0.05 -0.22 3.57 -0.26 -2.85 116.94 117.67 3k1q h PHE 576 Ca 0.29 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.83 3k1q h PHE 576 Cb 0.37 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3k1q h PHE 576 CO -0.19 -0.01 -0.00 0.28 -2.23 0.00 0.00 178.31 176.15 3k1q h VAL 577 N 0.27 0.96 -0.37 1.41 2.07 -0.59 -1.59 116.25 118.41 3k1q h VAL 577 Ca 0.29 -0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.90 3k1q h VAL 577 Cb 0.41 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3k1q h VAL 577 CO -0.37 0.00 0.26 0.77 0.02 0.00 0.00 177.57 178.25 3k1q h SER 578 N 0.01 0.09 -1.58 0.57 4.64 -1.24 -3.39 113.55 112.64 3k1q h SER 578 Ca 0.02 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.22 3k1q h SER 578 Cb 0.03 -0.02 -0.27 0.00 -0.31 0.00 0.00 62.40 61.83 3k1q h SER 578 CO -0.04 0.06 -0.47 0.21 -0.87 0.00 0.00 176.83 175.71 3k1q s ASN 579 N -6.52 -0.11 0.42 4.97 3.84 -1.08 -5.06 114.94 111.40 3k1q s ASN 579 Ca -0.06 -0.01 0.19 0.00 0.21 0.00 0.00 52.86 53.19 3k1q s ASN 579 Cb 0.19 1.35 1.11 0.00 -0.55 0.00 0.00 41.25 43.35 3k1q s ASN 579 CO 0.71 -0.32 1.83 -0.65 -2.79 0.00 0.00 177.10 175.88 3k1q h PRO 580 N 8.13 0.37 -0.35 0.43 0.11 -1.50 -2.49 132.00 136.70 3k1q h PRO 580 Ca -0.12 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.07 3k1q h PRO 580 Cb 1.14 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3k1q h PRO 580 CO 0.25 0.25 0.28 0.66 -0.21 0.00 0.00 178.00 179.23 3k1q h SER 581 N 0.38 0.00 -0.63 -2.05 4.64 -1.93 -2.71 113.55 111.26 3k1q h SER 581 Ca 0.51 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 62.01 3k1q h SER 581 Cb 1.31 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.38 3k1q h SER 581 CO -0.20 0.00 0.75 -0.07 -0.87 0.00 0.00 176.83 176.44 3k1q h LEU 582 N 0.00 0.00 -1.88 5.97 3.38 -1.79 0.02 115.31 121.02 3k1q h LEU 582 Ca 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3k1q h LEU 582 Cb 0.74 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 3k1q h LEU 582 CO -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 178.47 3k1q h ALA 583 N 1.09 1.90 0.00 1.53 0.00 -1.72 -0.24 119.26 121.82 3k1q h ALA 583 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3k1q h ALA 583 Cb 1.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.58 3k1q h ALA 583 CO -0.00 0.08 -0.99 1.28 0.00 0.00 0.00 179.25 179.62 3k1q n LEU 584 N -4.47 0.63 -4.60 0.00 4.77 -0.03 -4.63 117.00 108.67 3k1q n LEU 584 Ca -0.03 -0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.49 3k1q n LEU 584 Cb 0.14 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 3k1q n LEU 584 CO 0.35 0.06 0.51 -1.10 -1.33 0.00 0.00 177.39 175.88 3k1q s GLN 585 N -3.17 3.84 0.10 3.23 -0.21 -0.10 -4.18 119.66 119.17 3k1q s GLN 585 Ca 0.04 0.36 -0.26 0.00 0.02 0.00 0.00 55.36 55.52 3k1q s GLN 585 Cb 0.15 -3.76 -0.15 0.00 1.00 0.00 0.00 33.01 30.25 3k1q s GLN 585 CO 0.80 -0.72 0.60 1.55 -2.12 0.00 0.00 175.29 175.40 3k1q n VAL 586 N 5.59 0.99 -2.60 1.09 3.14 -0.20 -3.86 118.33 122.47 3k1q n VAL 586 Ca 0.02 -0.25 -0.03 0.00 -2.96 0.00 0.00 64.34 61.13 3k1q n VAL 586 Cb 0.48 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.27 3k1q n VAL 586 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3k1q n GLY 587 N 1.46 0.78 3.51 7.55 0.00 -1.26 -4.97 105.19 112.26 3k1q n GLY 587 Ca 0.15 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 3k1q n GLY 587 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k1q s ILE 588 N -3.03 4.57 0.00 -0.61 -1.09 -1.25 -5.02 121.20 114.76 3k1q s ILE 588 Ca 0.06 -0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.39 3k1q s ILE 588 Cb -0.03 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.72 3k1q s ILE 588 CO 0.08 0.34 0.62 -2.65 -1.23 0.00 0.00 174.94 172.10 3k1q n PRO 589 N 4.70 0.00 -0.02 2.79 -0.02 -1.26 -2.80 135.00 138.39 3k1q n PRO 589 Ca -0.16 0.62 0.06 0.00 -2.02 0.00 0.00 63.50 61.99 3k1q n PRO 589 Cb 0.52 -0.97 -0.12 0.00 -0.02 0.00 0.00 33.50 32.91 3k1q n PRO 589 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3k1q n VAL 590 N -2.26 0.14 0.22 -1.45 0.24 -1.26 -4.68 118.33 109.27 3k1q n VAL 590 Ca 0.00 -0.38 0.07 0.00 -2.04 0.00 0.00 64.34 61.99 3k1q n VAL 590 Cb 0.00 0.04 0.49 0.00 -1.47 0.00 0.00 33.84 32.91 3k1q n VAL 590 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3k1q h LEU 591 N 0.00 0.00 -1.74 1.34 3.38 -1.95 -2.22 115.31 114.12 3k1q h LEU 591 Ca -0.05 0.00 0.50 0.00 0.09 0.00 0.00 57.88 58.42 3k1q h LEU 591 Cb 0.86 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.54 3k1q h LEU 591 CO 0.00 0.27 1.38 0.71 0.09 0.00 0.00 178.44 180.88 3k1q h THR 592 N 0.00 0.00 -2.53 0.22 1.35 -1.79 -3.33 112.91 106.84 3k1q h THR 592 Ca -0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 66.41 65.25 3k1q h THR 592 Cb 0.59 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 66.88 3k1q h THR 592 CO 0.03 0.00 0.71 -1.58 -0.25 0.00 0.00 175.52 174.43 3k1q s GLN 593 N -4.74 3.17 0.57 4.72 -0.44 -0.84 -4.71 119.66 117.39 3k1q s GLN 593 Ca -0.04 -0.75 0.30 0.00 -2.50 0.00 0.00 55.36 52.37 3k1q s GLN 593 Cb 0.23 -4.29 1.44 0.00 -1.64 0.00 0.00 33.01 28.75 3k1q s GLN 593 CO 0.78 -1.91 1.83 0.66 0.50 0.00 0.00 175.29 177.15 3k1q h SER 594 N 9.65 0.00 -0.42 6.67 4.64 -1.88 0.17 113.55 132.38 3k1q h SER 594 Ca -0.25 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.16 3k1q h SER 594 Cb 1.06 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.06 3k1q h SER 594 CO 1.21 0.00 -0.25 1.23 -0.87 0.00 0.00 176.83 178.15 3k1q h GLY 595 N 0.00 -0.03 2.00 -0.77 0.00 -1.92 0.27 103.07 102.62 3k1q h GLY 595 Ca 0.33 0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.97 3k1q h GLY 595 CO -0.00 -0.21 -0.08 -0.33 0.00 0.00 0.00 176.54 175.92 3k1q h MET 596 N -0.18 0.00 0.17 4.80 2.86 -1.01 0.20 114.93 121.78 3k1q h MET 596 Ca 0.19 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.53 3k1q h MET 596 Cb 0.48 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.16 3k1q h MET 596 CO -0.52 0.08 -1.36 1.25 1.06 0.00 0.00 176.91 177.42 3k1q h LEU 597 N 0.00 0.58 -0.62 1.22 5.85 -0.80 -1.24 115.31 120.30 3k1q h LEU 597 Ca -0.00 -0.63 0.04 0.00 0.84 0.00 0.00 57.88 58.13 3k1q h LEU 597 Cb 0.17 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 3k1q h LEU 597 CO 0.01 1.49 0.36 0.28 -0.34 0.00 0.00 178.44 180.24 3k1q h SER 598 N 0.10 0.55 -0.90 1.25 0.02 0.01 -0.41 113.55 114.18 3k1q h SER 598 Ca -0.19 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 60.83 3k1q h SER 598 Cb 2.05 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 64.44 3k1q h SER 598 CO 0.23 0.37 0.58 0.00 -1.14 0.00 0.00 176.83 176.87 3k1q h ALA 599 N 1.30 1.49 0.10 3.77 0.00 -0.45 -0.78 119.26 124.70 3k1q h ALA 599 Ca 0.27 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3k1q h ALA 599 Cb 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3k1q h ALA 599 CO -0.14 0.39 -0.05 1.25 0.00 0.00 0.00 179.25 180.70 3k1q h LEU 600 N 1.05 -0.11 -0.25 0.00 6.46 0.05 0.16 115.31 122.66 3k1q h LEU 600 Ca 0.37 -0.39 0.04 0.00 -0.12 0.00 0.00 57.88 57.79 3k1q h LEU 600 Cb 0.14 0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 40.02 3k1q h LEU 600 CO -0.13 0.36 -0.52 0.74 -0.62 0.00 0.00 178.44 178.27 3k1q h THR 601 N -0.62 0.03 0.63 1.05 2.02 -0.62 -0.41 112.91 114.99 3k1q h THR 601 Ca -0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 3k1q h THR 601 Cb 0.50 0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3k1q h THR 601 CO 0.02 0.00 -0.30 0.77 0.37 0.00 0.00 175.52 176.38 3k1q h SER 602 N -0.49 -0.72 -0.92 4.18 4.64 -1.25 -3.33 113.55 115.67 3k1q h SER 602 Ca 0.06 -0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.62 3k1q h SER 602 Cb 0.64 0.19 -0.17 0.00 -0.31 0.00 0.00 62.40 62.74 3k1q h SER 602 CO -0.50 -0.46 -0.04 0.61 -0.87 0.00 0.00 176.83 175.57 3k1q n GLY 603 N -1.22 -1.33 0.32 -0.77 0.00 0.56 -1.56 105.19 101.20 3k1q n GLY 603 Ca -0.13 0.92 0.06 0.00 0.00 0.00 0.00 46.02 46.87 3k1q n GLY 603 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3k1q h VAL 604 N 0.00 0.85 -0.24 1.61 3.04 -1.18 -2.62 116.25 117.71 3k1q h VAL 604 Ca 0.53 -0.27 -0.01 0.00 -1.01 0.00 0.00 66.70 65.94 3k1q h VAL 604 Cb 1.04 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.29 3k1q h VAL 604 CO -0.89 0.15 0.12 1.23 -1.01 0.00 0.00 177.57 177.17 3k1q h GLY 605 N 0.80 0.37 0.10 3.17 0.00 -1.46 -0.43 103.07 105.63 3k1q h GLY 605 Ca 0.45 -0.18 0.12 0.00 0.00 0.00 0.00 47.33 47.73 3k1q h GLY 605 CO -0.29 0.17 0.12 -0.91 0.00 0.00 0.00 176.54 175.63 3k1q h THR 606 N 0.27 0.60 -0.77 4.70 1.35 -1.58 0.54 112.91 118.02 3k1q h THR 606 Ca 0.08 -0.08 0.11 0.00 -0.55 0.00 0.00 66.41 65.97 3k1q h THR 606 Cb 0.10 0.33 -0.05 0.00 -1.73 0.00 0.00 68.15 66.80 3k1q h THR 606 CO -0.01 0.04 0.51 0.00 -0.25 0.00 0.00 175.52 175.81 3k1q h ALA 607 N 1.51 1.85 0.36 6.62 0.00 -1.03 -1.89 119.26 126.68 3k1q h ALA 607 Ca 0.33 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3k1q h ALA 607 Cb 0.52 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3k1q h ALA 607 CO -0.44 -0.02 -0.17 -0.07 0.00 0.00 0.00 179.25 178.55 3k1q h LEU 608 N 0.64 -0.41 -0.27 0.00 3.38 -0.45 -2.71 115.31 115.49 3k1q h LEU 608 Ca 0.36 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.30 3k1q h LEU 608 Cb 0.54 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3k1q h LEU 608 CO -0.14 0.04 -0.16 -1.14 0.09 0.00 0.00 178.44 177.14 3k1q n ARG 609 N -5.10 -0.12 -0.56 1.13 0.63 0.12 -2.02 116.66 110.74 3k1q n ARG 609 Ca -0.07 0.78 0.04 0.00 -0.92 0.00 0.00 57.85 57.67 3k1q n ARG 609 Cb 0.22 -1.15 0.23 0.00 0.45 0.00 0.00 32.46 32.21 3k1q n ARG 609 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3k1q n THR 610 N -3.56 2.36 -2.46 5.15 -2.24 -0.72 -5.03 114.28 107.79 3k1q n THR 610 Ca 0.01 -2.24 -0.42 0.00 -2.27 0.00 0.00 64.05 59.13 3k1q n THR 610 Cb 0.07 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 67.99 3k1q n THR 610 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3k1q s GLY 611 N -2.24 2.60 -1.04 3.38 0.00 -0.86 -4.99 107.32 104.17 3k1q s GLY 611 Ca 0.42 0.83 -0.19 0.00 0.00 0.00 0.00 44.72 45.79 3k1q s GLY 611 CO 0.05 1.89 1.33 -1.35 0.00 0.00 0.00 173.10 175.01 3k1q s SER 612 N 0.61 6.71 0.00 1.64 1.04 -1.26 -4.70 113.70 117.74 3k1q s SER 612 Ca 0.55 -2.14 0.00 0.00 0.48 0.00 0.00 55.95 54.84 3k1q s SER 612 Cb -0.29 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.37 3k1q s SER 612 CO 0.32 -1.11 0.00 0.18 0.98 0.00 0.00 173.24 173.60 3k1q n LEU 613 N 7.10 0.00 -4.55 2.42 4.77 -1.26 -4.72 117.00 120.77 3k1q n LEU 613 Ca 0.31 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.93 3k1q n LEU 613 Cb 0.48 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 3k1q n LEU 613 CO 0.59 0.00 2.01 -0.83 -1.33 0.00 0.00 177.39 177.84 3k1q s GLY 614 N 0.00 -0.42 -0.49 -0.72 0.00 -1.26 -4.94 107.32 99.49 3k1q s GLY 614 Ca 0.00 0.03 0.04 0.00 0.00 0.00 0.00 44.72 44.79 3k1q s GLY 614 CO 0.00 4.13 0.23 1.25 0.00 0.00 0.00 173.10 178.71 3k1q s LYS 615 N 8.22 1.84 -0.43 2.90 2.47 -1.26 -5.02 119.74 128.47 3k1q s LYS 615 Ca 0.97 -2.46 -0.41 0.00 -1.56 0.00 0.00 55.97 52.51 3k1q s LYS 615 Cb -0.17 -3.21 -0.16 0.00 -1.46 0.00 0.00 37.83 32.82 3k1q s LYS 615 CO 0.26 -1.09 2.07 0.41 0.16 0.00 0.00 175.35 177.16 3k1q n GLY 616 N 3.31 0.19 0.33 5.54 0.00 -1.26 -4.91 105.19 108.40 3k1q n GLY 616 Ca 0.05 1.03 0.13 0.00 0.00 0.00 0.00 46.02 47.23 3k1q n GLY 616 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3k1q h VAL 617 N 6.69 0.09 -0.42 1.61 3.04 -1.98 0.45 116.25 125.73 3k1q h VAL 617 Ca -0.22 -0.01 0.05 0.00 -1.01 0.00 0.00 66.70 65.51 3k1q h VAL 617 Cb 1.37 0.05 -0.08 0.00 -2.01 0.00 0.00 31.29 30.62 3k1q h VAL 617 CO 1.04 0.01 -0.55 0.71 -1.01 0.00 0.00 177.57 177.78 3k1q h THR 618 N 0.04 0.00 -0.31 3.17 1.35 -2.01 -2.02 112.91 113.12 3k1q h THR 618 Ca 0.56 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.41 3k1q h THR 618 Cb 1.12 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.52 3k1q h THR 618 CO -0.87 0.00 0.13 -0.78 -0.25 0.00 0.00 175.52 173.75 3k1q h ASP 619 N -0.38 0.38 0.76 5.36 3.58 -1.37 -2.19 116.42 122.57 3k1q h ASP 619 Ca 0.07 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 3k1q h ASP 619 Cb 0.57 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.52 3k1q h ASP 619 CO -0.59 0.35 -0.47 0.00 -2.88 0.00 0.00 179.24 175.65 3k1q h ALA 620 N 1.71 -1.26 -0.87 -0.78 0.00 -0.41 0.23 119.26 117.89 3k1q h ALA 620 Ca 0.11 -0.24 0.22 0.00 0.00 0.00 0.00 54.91 54.99 3k1q h ALA 620 Cb 0.08 0.58 -0.13 0.00 0.00 0.00 0.00 17.79 18.33 3k1q h ALA 620 CO -0.01 -1.22 0.32 0.66 0.00 0.00 0.00 179.25 179.00 3k1q h SER 621 N -1.15 0.20 -0.56 0.00 4.64 -1.39 0.32 113.55 115.61 3k1q h SER 621 Ca -0.10 0.16 -0.09 0.00 -0.47 0.00 0.00 61.79 61.29 3k1q h SER 621 Cb 0.92 0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 3k1q h SER 621 CO 0.11 -0.05 0.02 -0.33 -0.87 0.00 0.00 176.83 175.71 3k1q h GLU 622 N 0.33 1.00 -0.32 4.77 3.07 -0.64 -1.09 114.58 121.70 3k1q h GLU 622 Ca 0.54 -0.29 -0.08 0.00 -0.50 0.00 0.00 59.36 59.02 3k1q h GLU 622 Cb 1.02 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.82 3k1q h GLU 622 CO -0.56 0.97 -0.13 -0.22 -1.40 0.00 0.00 179.01 177.67 3k1q h LYS 623 N 0.93 0.66 -0.59 2.33 3.64 -0.18 0.87 116.57 124.23 3k1q h LYS 623 Ca 0.17 -0.28 0.12 0.00 -1.27 0.00 0.00 60.65 59.40 3k1q h LYS 623 Cb 0.50 -0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.19 3k1q h LYS 623 CO 0.02 0.86 -0.14 1.25 -2.27 0.00 0.00 179.45 179.17 3k1q h LEU 624 N 0.43 -0.53 0.47 5.20 5.85 -0.89 0.13 115.31 125.97 3k1q h LEU 624 Ca 0.08 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 3k1q h LEU 624 Cb 0.65 0.36 0.00 0.00 0.37 0.00 0.00 40.66 42.04 3k1q h LEU 624 CO 0.04 -0.19 -0.23 -0.09 -0.34 0.00 0.00 178.44 177.63 3k1q h ARG 625 N 0.01 -0.61 -0.94 1.25 1.12 -0.73 -1.57 114.38 112.90 3k1q h ARG 625 Ca 0.29 0.04 0.12 0.00 -1.11 0.00 0.00 59.98 59.32 3k1q h ARG 625 Cb 0.44 0.14 -0.08 0.00 -0.01 0.00 0.00 29.97 30.46 3k1q h ARG 625 CO -0.60 -0.33 0.60 0.00 -3.11 0.00 0.00 179.97 176.53 3k1q h ALA 626 N -0.37 1.65 -0.53 2.80 0.00 -0.32 -1.47 119.26 121.01 3k1q h ALA 626 Ca -0.06 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3k1q h ALA 626 Cb 0.56 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3k1q h ALA 626 CO 0.11 0.11 0.15 0.00 0.00 0.00 0.00 179.25 179.62 3k1q h ARG 627 N 0.87 0.79 0.18 0.00 3.08 -0.64 -0.81 114.38 117.85 3k1q h ARG 627 Ca 0.47 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 3k1q h ARG 627 Cb 0.56 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3k1q h ARG 627 CO -0.23 0.70 -0.09 1.96 -1.07 0.00 0.00 179.97 181.25 3k1q h GLN 628 N 0.77 -0.23 -0.64 0.04 4.20 -0.25 -2.02 115.11 116.98 3k1q h GLN 628 Ca 0.17 0.02 0.10 0.00 0.06 0.00 0.00 58.65 59.00 3k1q h GLN 628 Cb 0.26 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 3k1q h GLN 628 CO -0.01 0.10 0.43 0.66 -0.67 0.00 0.00 178.83 179.34 3k1q h SER 629 N -0.59 0.41 0.10 1.46 4.64 -1.11 0.39 113.55 118.85 3k1q h SER 629 Ca -0.02 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3k1q h SER 629 Cb 0.44 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3k1q h SER 629 CO 0.04 0.25 -0.10 0.25 -0.87 0.00 0.00 176.83 176.40 3k1q h LEU 630 N 0.46 -0.25 -0.20 5.97 5.85 -0.53 -1.94 115.31 124.66 3k1q h LEU 630 Ca 0.30 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.10 3k1q h LEU 630 Cb 0.54 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.59 3k1q h LEU 630 CO -0.09 -0.15 -0.29 0.74 -0.34 0.00 0.00 178.44 178.32 3k1q h THR 631 N -0.22 0.33 -0.53 1.05 2.02 -1.05 -0.39 112.91 114.13 3k1q h THR 631 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 3k1q h THR 631 Cb 0.21 0.33 -0.10 0.00 -1.74 0.00 0.00 68.15 66.85 3k1q h THR 631 CO -0.02 0.00 -0.50 0.58 0.37 0.00 0.00 175.52 175.94 3k1q h VAL 632 N -0.32 0.04 -0.66 3.16 2.07 -0.75 0.01 116.25 119.80 3k1q h VAL 632 Ca 0.12 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.66 3k1q h VAL 632 Cb 0.51 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3k1q h VAL 632 CO -0.38 0.00 0.44 0.00 0.02 0.00 0.00 177.57 177.64 3k1q h ALA 633 N 0.31 1.58 -0.19 1.67 0.00 -1.22 -0.68 119.26 120.72 3k1q h ALA 633 Ca 0.13 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3k1q h ALA 633 Cb 0.57 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3k1q h ALA 633 CO -0.66 0.37 0.08 0.87 0.00 0.00 0.00 179.25 179.91 3k1q h LYS 634 N 0.85 0.17 -0.47 0.00 1.57 -0.04 0.92 116.57 119.57 3k1q h LYS 634 Ca 0.25 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.09 3k1q h LYS 634 Cb -0.02 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.15 3k1q h LYS 634 CO -0.06 0.11 -0.45 1.96 -0.57 0.00 0.00 179.45 180.44 3k1q h GLN 635 N 0.18 -0.29 -0.93 3.15 1.08 -0.95 0.11 115.11 117.45 3k1q h GLN 635 Ca 0.08 0.02 0.14 0.00 -1.45 0.00 0.00 58.65 57.44 3k1q h GLN 635 Cb 0.04 0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 27.46 3k1q h GLN 635 CO -0.07 -0.19 0.60 0.00 -0.95 0.00 0.00 178.83 178.21 3k1q h ALA 636 N 0.41 1.73 0.07 3.87 0.00 -0.74 0.10 119.26 124.71 3k1q h ALA 636 Ca 0.14 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3k1q h ALA 636 Cb 0.58 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3k1q h ALA 636 CO -0.62 0.01 -0.05 0.35 0.00 0.00 0.00 179.25 178.95 3k1q h PHE 637 N 0.79 -0.12 -0.79 0.00 3.57 0.14 -1.43 116.94 119.10 3k1q h PHE 637 Ca 0.47 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 62.04 3k1q h PHE 637 Cb 0.67 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.39 3k1q h PHE 637 CO -0.00 -0.07 0.47 0.74 -2.23 0.00 0.00 178.31 177.22 3k1q h PHE 638 N -0.11 0.87 -0.52 0.41 0.04 -0.45 -0.15 116.94 117.04 3k1q h PHE 638 Ca -0.00 0.03 0.10 0.00 2.80 0.00 0.00 57.97 60.90 3k1q h PHE 638 Cb 0.10 -0.28 -0.09 0.00 2.20 0.00 0.00 35.95 37.89 3k1q h PHE 638 CO -0.09 0.43 -0.00 -0.44 -0.60 0.00 0.00 178.31 177.61 3k1q h ASP 639 N 0.86 -0.23 -0.47 2.17 3.32 -0.32 0.62 116.42 122.37 3k1q h ASP 639 Ca 0.35 0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.58 3k1q h ASP 639 Cb 0.19 0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.92 3k1q h ASP 639 CO -0.18 -0.08 0.21 -0.61 -1.72 0.00 0.00 179.24 176.85 3k1q h GLN 640 N 0.12 0.40 -0.56 3.56 -0.00 -0.48 0.27 115.11 118.42 3k1q h GLN 640 Ca 0.26 -0.02 0.01 0.00 -0.00 0.00 0.00 58.65 58.90 3k1q h GLN 640 Cb 0.40 -0.09 -0.03 0.00 0.00 0.00 0.00 27.48 27.76 3k1q h GLN 640 CO -0.44 0.26 0.35 0.82 0.00 0.00 0.00 178.83 179.83 3k1q h ILE 641 N 0.41 1.11 -0.90 2.39 2.04 -0.43 -0.90 117.51 121.22 3k1q h ILE 641 Ca 0.22 -0.25 0.15 0.00 1.00 0.00 0.00 64.86 65.98 3k1q h ILE 641 Cb 0.17 0.33 -0.09 0.00 -0.74 0.00 0.00 36.82 36.49 3k1q h ILE 641 CO -0.18 0.13 0.50 1.23 0.00 0.00 0.00 178.15 179.83 3k1q h GLY 642 N 0.71 1.50 0.99 5.37 0.00 0.70 -1.17 103.07 111.17 3k1q h GLY 642 Ca 0.21 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 3k1q h GLY 642 CO -0.07 -0.01 0.26 1.48 0.00 0.00 0.00 176.54 178.20 3k1q h SER 643 N 0.71 0.52 0.78 0.19 4.64 -0.21 -1.40 113.55 118.78 3k1q h SER 643 Ca 0.49 -0.05 -0.25 0.00 -0.47 0.00 0.00 61.79 61.51 3k1q h SER 643 Cb 0.67 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.60 3k1q h SER 643 CO -0.35 0.42 -1.26 -0.07 -0.87 0.00 0.00 176.83 174.70 3k1q h LEU 644 N 0.57 0.06 -6.33 5.97 3.38 -0.18 -3.39 115.31 115.39 3k1q h LEU 644 Ca 0.15 -0.08 -0.42 0.00 0.09 0.00 0.00 57.88 57.63 3k1q h LEU 644 Cb -0.00 -0.02 -0.32 0.00 0.09 0.00 0.00 40.66 40.40 3k1q h LEU 644 CO -0.03 1.06 -0.73 0.86 0.09 0.00 0.00 178.44 179.69 3k1q s TRP 645 N -2.67 -0.05 -0.90 1.13 -0.00 -0.54 -5.05 118.94 110.86 3k1q s TRP 645 Ca -0.02 -1.10 -0.25 0.00 -0.00 0.00 0.00 56.10 54.73 3k1q s TRP 645 Cb 0.09 -0.51 -0.18 0.00 -0.00 0.00 0.00 33.47 32.88 3k1q s TRP 645 CO 0.83 -0.95 1.92 -0.35 -0.00 0.00 0.00 176.95 178.40 3k1q n PRO 646 N 4.00 1.04 -1.51 5.86 -0.04 -0.53 -4.53 135.00 139.30 3k1q n PRO 646 Ca 0.14 -1.96 -0.44 0.00 -0.04 0.00 0.00 63.50 61.20 3k1q n PRO 646 Cb 0.44 -3.41 -0.06 0.00 -0.04 0.00 0.00 33.50 30.43 3k1q n PRO 646 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3k1q n GLY 647 N 5.44 0.37 2.51 0.55 0.00 -1.24 -4.85 105.19 107.98 3k1q n GLY 647 Ca 0.46 0.86 0.00 0.00 0.00 0.00 0.00 46.02 47.34 3k1q n GLY 647 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90