#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwx s THR 2 N 0.00 4.37 0.22 0.00 -4.23 -1.26 -1.55 115.64 113.18 3kwx s THR 2 Ca 0.00 0.51 -0.12 0.00 -1.18 0.00 0.00 61.69 60.90 3kwx s THR 2 Cb 0.00 -3.73 0.23 0.00 1.34 0.00 0.00 72.50 70.34 3kwx s THR 2 CO 0.00 -0.88 1.64 -0.65 -0.54 0.00 0.00 174.62 174.19 3kwx h PRO 3 N -0.24 0.04 -0.38 3.99 0.11 -1.95 0.76 132.00 134.33 3kwx h PRO 3 Ca -0.45 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.71 3kwx h PRO 3 Cb 1.22 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 3kwx h PRO 3 CO 0.62 0.02 0.07 0.00 -0.21 0.00 0.00 178.00 178.51 3kwx h ALA 4 N 1.63 0.40 -0.26 -0.75 0.00 -2.01 -0.55 119.26 117.72 3kwx h ALA 4 Ca 0.32 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.38 3kwx h ALA 4 Cb 0.51 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3kwx h ALA 4 CO -0.62 -0.33 0.19 -0.44 0.00 0.00 0.00 179.25 178.04 3kwx h ASP 5 N 0.20 0.00 0.98 0.00 3.32 -1.52 -3.08 116.42 116.31 3kwx h ASP 5 Ca 0.18 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.09 3kwx h ASP 5 Cb 0.21 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3kwx h ASP 5 CO -0.24 0.00 -1.09 -0.50 -1.72 0.00 0.00 179.24 175.69 3kwx h TRP 6 N 0.00 0.00 -1.11 4.55 4.06 0.69 -3.36 115.95 120.79 3kwx h TRP 6 Ca 0.12 0.00 0.31 0.00 2.06 0.00 0.00 58.89 61.39 3kwx h TRP 6 Cb 0.49 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 28.54 3kwx h TRP 6 CO -0.00 0.53 0.70 0.00 -3.56 0.00 0.00 178.44 176.11 3kwx h ARG 7 N 0.00 0.31 -0.00 0.49 3.08 -1.32 -0.24 114.38 116.70 3kwx h ARG 7 Ca -0.10 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3kwx h ARG 7 Cb 1.49 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.48 3kwx h ARG 7 CO 0.05 0.20 -0.15 -1.13 -1.07 0.00 0.00 179.97 177.88 3kwx n SER 8 N -4.69 0.45 -4.85 7.04 3.41 -1.26 -4.65 113.62 109.07 3kwx n SER 8 Ca 0.29 -0.43 -0.32 0.00 -0.26 0.00 0.00 58.87 58.15 3kwx n SER 8 Cb 1.02 -0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.89 3kwx n SER 8 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3kwx s GLN 9 N -2.59 3.73 -0.03 4.33 -1.52 -0.10 -4.99 119.66 118.49 3kwx s GLN 9 Ca 0.25 0.89 0.02 0.00 -1.95 0.00 0.00 55.36 54.56 3kwx s GLN 9 Cb 0.20 -2.10 0.01 0.00 -0.22 0.00 0.00 33.01 30.90 3kwx s GLN 9 CO 0.51 -0.45 -0.05 -1.54 -0.25 0.00 0.00 175.29 173.50 3kwx s SER 10 N -3.53 0.89 -0.17 5.90 1.04 -1.26 -4.10 113.70 112.46 3kwx s SER 10 Ca 0.58 -0.13 -0.05 0.00 0.48 0.00 0.00 55.95 56.83 3kwx s SER 10 Cb -0.11 -0.32 -0.03 0.00 0.10 0.00 0.00 66.02 65.66 3kwx s SER 10 CO 0.42 -0.00 -0.01 -0.63 0.98 0.00 0.00 173.24 174.00 3kwx s ILE 11 N 0.50 4.08 -0.34 -1.02 1.01 0.10 -1.52 121.20 124.01 3kwx s ILE 11 Ca -0.07 -0.29 -0.17 0.00 0.00 0.00 0.00 60.65 60.13 3kwx s ILE 11 Cb -0.10 -2.81 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 3kwx s ILE 11 CO 0.00 0.47 0.43 -0.47 0.00 0.00 0.00 174.94 175.37 3kwx s TYR 12 N 0.53 3.20 -0.19 3.97 5.04 -0.40 -1.01 117.35 128.48 3kwx s TYR 12 Ca -0.01 0.09 -0.10 0.00 -2.44 0.00 0.00 57.07 54.60 3kwx s TYR 12 Cb -0.14 -2.79 -0.05 0.00 0.35 0.00 0.00 41.96 39.34 3kwx s TYR 12 CO 0.02 -0.48 0.15 0.12 -1.34 0.00 0.00 175.55 174.02 3kwx s PHE 13 N 2.19 3.42 0.05 4.97 5.36 0.52 -1.19 117.98 133.31 3kwx s PHE 13 Ca 0.15 0.37 0.01 0.00 -0.96 0.00 0.00 56.93 56.49 3kwx s PHE 13 Cb -0.16 -2.17 -0.03 0.00 -0.34 0.00 0.00 43.02 40.32 3kwx s PHE 13 CO 0.12 0.30 -0.05 -0.48 -1.46 0.00 0.00 175.22 173.66 3kwx s LEU 14 N 0.31 2.38 -0.30 6.12 0.05 -0.41 -0.13 118.68 126.70 3kwx s LEU 14 Ca 0.09 -0.78 -0.18 0.00 0.05 0.00 0.00 54.13 53.31 3kwx s LEU 14 Cb -0.11 0.03 -0.02 0.00 -2.05 0.00 0.00 46.19 44.04 3kwx s LEU 14 CO -0.01 -0.41 0.53 -0.76 -0.55 0.00 0.00 176.35 175.15 3kwx s LEU 15 N -2.29 4.16 0.26 1.48 1.02 -1.26 -3.52 118.68 118.54 3kwx s LEU 15 Ca -0.01 0.32 -0.01 0.00 0.02 0.00 0.00 54.13 54.44 3kwx s LEU 15 Cb -0.01 -2.66 0.50 0.00 0.02 0.00 0.00 46.19 44.04 3kwx s LEU 15 CO -0.04 -0.38 1.81 0.74 0.02 0.00 0.00 176.35 178.49 3kwx h THR 16 N 5.50 0.87 0.00 5.49 2.02 -1.89 0.41 112.91 125.30 3kwx h THR 16 Ca -0.28 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.61 3kwx h THR 16 Cb 1.13 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3kwx h THR 16 CO 0.75 0.15 0.00 -0.78 0.37 0.00 0.00 175.52 176.01 3kwx h ASP 17 N 0.83 0.00 0.00 4.18 3.58 -1.76 -3.16 116.42 120.09 3kwx h ASP 17 Ca 0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.91 3kwx h ASP 17 Cb 0.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.54 3kwx h ASP 17 CO -0.28 0.00 0.00 0.54 -2.88 0.00 0.00 179.24 176.62 3kwx n ARG 18 N -2.52 0.25 -0.09 0.28 5.12 0.13 -1.13 116.66 118.69 3kwx n ARG 18 Ca 0.01 -0.38 -0.18 0.00 -1.93 0.00 0.00 57.85 55.37 3kwx n ARG 18 Cb 0.20 -0.87 -0.10 0.00 -1.16 0.00 0.00 32.46 30.52 3kwx n ARG 18 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 3kwx h PHE 19 N 0.00 0.00 -2.08 -1.55 3.57 -1.28 0.15 116.94 115.75 3kwx h PHE 19 Ca 0.00 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 3kwx h PHE 19 Cb 0.04 0.00 -0.21 0.00 2.79 0.00 0.00 35.95 38.57 3kwx h PHE 19 CO 0.00 1.17 -0.13 0.00 -2.23 0.00 0.00 178.31 177.13 3kwx s ALA 20 N -2.41 -1.88 0.55 2.41 0.00 -1.26 -3.37 121.76 115.79 3kwx s ALA 20 Ca -0.25 2.25 -0.16 0.00 0.00 0.00 0.00 51.96 53.81 3kwx s ALA 20 Cb 0.04 -1.62 -0.06 0.00 0.00 0.00 0.00 23.12 21.48 3kwx s ALA 20 CO 0.53 -0.76 1.01 1.03 0.00 0.00 0.00 175.76 177.57 3kwx s ARG 21 N 2.52 3.75 0.25 0.00 0.52 -1.26 -1.32 118.95 123.41 3kwx s ARG 21 Ca -0.07 0.99 -0.03 0.00 -0.52 0.00 0.00 55.73 56.11 3kwx s ARG 21 Cb -0.10 -2.10 0.43 0.00 0.52 0.00 0.00 34.95 33.69 3kwx s ARG 21 CO -0.18 -0.44 1.82 1.15 0.02 0.00 0.00 175.30 177.66 3kwx h THR 22 N 0.65 0.93 0.00 0.02 2.02 -1.89 -1.45 112.91 113.19 3kwx h THR 22 Ca -0.46 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.42 3kwx h THR 22 Cb 1.19 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3kwx h THR 22 CO 0.60 0.16 0.00 -0.90 0.37 0.00 0.00 175.52 175.75 3kwx n ASP 23 N -4.70 0.00 -0.08 4.18 5.68 -1.26 -4.80 116.55 115.57 3kwx n ASP 23 Ca 0.15 -0.44 -0.01 0.00 -0.50 0.00 0.00 54.79 53.99 3kwx n ASP 23 Cb 0.28 -0.11 -0.00 0.00 -1.14 0.00 0.00 41.12 40.15 3kwx n ASP 23 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kwx n GLY 24 N 0.42 0.27 3.64 6.12 0.00 -0.55 -4.96 105.19 110.14 3kwx n GLY 24 Ca 0.14 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3kwx n GLY 24 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kwx n SER 25 N -0.62 1.42 -0.34 1.61 2.88 -1.26 -4.93 113.62 112.38 3kwx n SER 25 Ca -0.01 0.95 0.06 0.00 -1.33 0.00 0.00 58.87 58.54 3kwx n SER 25 Cb 0.34 -1.42 0.13 0.00 -0.75 0.00 0.00 64.21 62.51 3kwx n SER 25 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3kwx n THR 26 N -1.00 1.53 0.00 2.46 -2.24 -1.26 -4.61 114.28 109.16 3kwx n THR 26 Ca 0.11 -1.55 0.00 0.00 -2.27 0.00 0.00 64.05 60.33 3kwx n THR 26 Cb 0.43 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 3kwx n THR 26 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3kwx n THR 27 N -0.57 0.00 -1.68 4.28 -2.24 -1.26 -4.33 114.28 108.48 3kwx n THR 27 Ca 0.11 -0.13 -0.48 0.00 -2.27 0.00 0.00 64.05 61.28 3kwx n THR 27 Cb 0.53 0.69 -0.05 0.00 -2.10 0.00 0.00 70.33 69.40 3kwx n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kwx n ALA 28 N -0.50 0.89 -1.58 6.98 0.00 -1.26 -4.85 120.51 120.19 3kwx n ALA 28 Ca 0.00 0.31 -0.46 0.00 0.00 0.00 0.00 53.44 53.29 3kwx n ALA 28 Cb 0.00 -2.47 -0.02 0.00 0.00 0.00 0.00 19.45 16.95 3kwx n ALA 28 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kwx n THR 29 N 4.92 1.61 -3.23 0.00 -1.04 -1.26 -4.93 114.28 110.36 3kwx n THR 29 Ca 0.22 -0.40 -0.08 0.00 -2.04 0.00 0.00 64.05 61.75 3kwx n THR 29 Cb 0.29 -0.93 -0.04 0.00 -1.82 0.00 0.00 70.33 67.83 3kwx n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kwx s ASN 31 N 1.48 6.47 0.47 0.00 3.84 -1.26 -4.76 114.94 121.19 3kwx s ASN 31 Ca 0.19 0.04 0.13 0.00 0.21 0.00 0.00 52.86 53.43 3kwx s ASN 31 Cb -0.08 -2.46 1.09 0.00 -0.55 0.00 0.00 41.25 39.26 3kwx s ASN 31 CO -0.05 -1.12 2.08 0.71 -2.79 0.00 0.00 177.10 175.93 3kwx h THR 32 N 6.08 1.01 0.00 -5.21 1.35 -1.91 -0.44 112.91 113.79 3kwx h THR 32 Ca -0.24 -0.09 -0.01 0.00 -0.55 0.00 0.00 66.41 65.51 3kwx h THR 32 Cb 1.07 0.72 -0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3kwx h THR 32 CO 1.05 0.05 -0.07 0.00 -0.25 0.00 0.00 175.52 176.30 3kwx h ALA 33 N 1.85 1.49 0.00 6.62 0.00 -1.92 -2.22 119.26 125.09 3kwx h ALA 33 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kwx h ALA 33 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kwx h ALA 33 CO -0.02 0.09 0.00 -0.44 0.00 0.00 0.00 179.25 178.88 3kwx h ASP 34 N 0.00 0.00 -6.68 0.00 3.32 -1.49 -3.47 116.42 108.10 3kwx h ASP 34 Ca -0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3kwx h ASP 34 Cb 0.17 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.55 3kwx h ASP 34 CO 0.01 0.00 -0.84 0.00 -1.72 0.00 0.00 179.24 176.69 3kwx n GLN 35 N -2.75 -3.36 -3.44 3.56 6.02 -0.84 -4.73 117.38 111.84 3kwx n GLN 35 Ca 0.03 0.39 -0.20 0.00 -0.01 0.00 0.00 57.00 57.22 3kwx n GLN 35 Cb 0.39 -5.04 -0.02 0.00 1.02 0.00 0.00 30.24 26.60 3kwx n GLN 35 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3kwx s LYS 36 N -6.86 2.66 0.15 -1.09 -0.14 -1.26 -0.22 119.74 112.98 3kwx s LYS 36 Ca 0.62 -1.40 -0.31 0.00 -1.36 0.00 0.00 55.97 53.52 3kwx s LYS 36 Cb -0.34 -2.51 -0.09 0.00 -1.68 0.00 0.00 37.83 33.20 3kwx s LYS 36 CO 0.92 -0.17 1.51 0.71 -0.76 0.00 0.00 175.35 177.56 3kwx s TYR 37 N -2.41 3.12 -0.56 3.18 2.02 -1.26 -4.84 117.35 116.61 3kwx s TYR 37 Ca 0.49 0.73 0.17 0.00 -0.37 0.00 0.00 57.07 58.09 3kwx s TYR 37 Cb -0.06 -3.85 -0.20 0.00 -0.40 0.00 0.00 41.96 37.45 3kwx s TYR 37 CO 0.29 -3.10 0.61 0.00 -1.57 0.00 0.00 175.55 171.78 3kwx n GLY 39 N 1.43 1.06 3.76 0.00 0.00 -1.25 -4.93 105.19 105.28 3kwx n GLY 39 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3kwx n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kwx s GLY 40 N -0.40 2.84 0.14 -0.02 0.00 -0.29 -4.31 107.32 105.28 3kwx s GLY 40 Ca 0.00 1.12 -0.01 0.00 0.00 0.00 0.00 44.72 45.83 3kwx s GLY 40 CO 0.00 1.63 0.07 -0.51 0.00 0.00 0.00 173.10 174.29 3kwx s THR 41 N -1.41 0.09 0.31 0.90 -4.23 -0.43 -4.24 115.64 106.62 3kwx s THR 41 Ca 0.65 -1.91 0.04 0.00 -1.18 0.00 0.00 61.69 59.28 3kwx s THR 41 Cb -0.34 -2.11 0.10 0.00 1.34 0.00 0.00 72.50 71.48 3kwx s THR 41 CO 0.42 -0.39 1.78 -0.50 -0.54 0.00 0.00 174.62 175.38 3kwx h TRP 42 N 2.82 0.48 -0.26 3.99 6.55 -1.63 -2.27 115.95 125.63 3kwx h TRP 42 Ca -0.35 -0.09 -0.17 0.00 0.95 0.00 0.00 58.89 59.24 3kwx h TRP 42 Cb 1.21 -0.13 -0.00 0.00 -0.86 0.00 0.00 29.16 29.38 3kwx h TRP 42 CO 0.42 0.62 -0.50 0.37 -1.05 0.00 0.00 178.44 178.30 3kwx h GLN 43 N 0.40 0.74 -0.93 0.49 5.75 -1.86 -2.26 115.11 117.44 3kwx h GLN 43 Ca 0.07 -0.44 0.09 0.00 -0.15 0.00 0.00 58.65 58.22 3kwx h GLN 43 Cb 0.57 0.04 -0.07 0.00 1.07 0.00 0.00 27.48 29.09 3kwx h GLN 43 CO 0.04 1.06 0.57 0.78 -2.65 0.00 0.00 178.83 178.63 3kwx h GLY 44 N 0.88 1.46 0.95 2.39 0.00 -1.62 -2.14 103.07 104.98 3kwx h GLY 44 Ca 0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 3kwx h GLY 44 CO 0.11 0.20 -0.07 -2.22 0.00 0.00 0.00 176.54 174.56 3kwx h ILE 45 N 0.97 0.88 -0.91 2.60 2.04 -1.08 -2.66 117.51 119.36 3kwx h ILE 45 Ca 0.44 -0.12 0.24 0.00 1.00 0.00 0.00 64.86 66.41 3kwx h ILE 45 Cb 0.34 0.96 -0.13 0.00 -0.74 0.00 0.00 36.82 37.24 3kwx h ILE 45 CO -0.23 0.03 0.36 0.40 0.00 0.00 0.00 178.15 178.71 3kwx h ILE 46 N -0.26 0.39 0.00 -0.67 2.04 -1.03 0.15 117.51 118.13 3kwx h ILE 46 Ca -0.02 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3kwx h ILE 46 Cb 0.20 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 3kwx h ILE 46 CO 0.03 0.06 0.00 0.47 0.00 0.00 0.00 178.15 178.71 3kwx n ASP 47 N -5.12 0.37 -0.40 1.72 8.00 -0.84 -3.12 116.55 117.16 3kwx n ASP 47 Ca 0.23 0.57 0.05 0.00 0.71 0.00 0.00 54.79 56.35 3kwx n ASP 47 Cb 0.72 -0.66 0.12 0.00 -0.02 0.00 0.00 41.12 41.28 3kwx n ASP 47 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3kwx n LYS 48 N -1.89 2.74 0.27 -1.24 4.76 0.49 -4.67 118.16 118.63 3kwx n LYS 48 Ca 0.04 -2.05 0.13 0.00 -2.87 0.00 0.00 58.31 53.56 3kwx n LYS 48 Cb 0.27 -1.29 0.78 0.00 -1.84 0.00 0.00 35.03 32.94 3kwx n LYS 48 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3kwx h LEU 49 N 1.09 0.00 -0.70 -0.35 3.38 -1.39 -1.52 115.31 115.83 3kwx h LEU 49 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3kwx h LEU 49 Cb 0.79 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 3kwx h LEU 49 CO 0.03 0.08 -0.02 0.44 0.09 0.00 0.00 178.44 179.07 3kwx h ASP 50 N 0.00 0.96 -0.69 -0.43 3.32 -1.85 0.11 116.42 117.84 3kwx h ASP 50 Ca -0.00 -0.27 -0.06 0.00 0.02 0.00 0.00 57.03 56.72 3kwx h ASP 50 Cb 0.23 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3kwx h ASP 50 CO 0.01 1.02 0.21 0.22 -1.72 0.00 0.00 179.24 178.98 3kwx h TYR 51 N 0.89 1.11 0.02 4.55 3.20 -1.63 -1.10 116.97 124.01 3kwx h TYR 51 Ca 0.16 -0.12 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 3kwx h TYR 51 Cb 0.55 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.50 3kwx h TYR 51 CO 0.04 0.90 -0.01 0.82 -1.64 0.00 0.00 178.16 178.26 3kwx h ILE 52 N 1.01 1.41 0.00 1.81 2.04 -1.23 -3.26 117.51 119.29 3kwx h ILE 52 Ca 0.22 -1.42 -0.04 0.00 1.00 0.00 0.00 64.86 64.62 3kwx h ILE 52 Cb 0.31 2.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 3kwx h ILE 52 CO -0.01 0.36 -0.18 -0.61 0.00 0.00 0.00 178.15 177.71 3kwx h GLN 53 N -0.66 0.00 0.00 2.37 4.15 -0.82 -2.12 115.11 118.03 3kwx h GLN 53 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3kwx h GLN 53 Cb 0.61 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.30 3kwx h GLN 53 CO 0.01 0.18 0.00 0.41 -1.93 0.00 0.00 178.83 177.50 3kwx n GLY 54 N -0.46 -0.79 0.87 2.39 0.00 -0.42 -0.79 105.19 105.98 3kwx n GLY 54 Ca -0.01 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.06 3kwx n GLY 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3kwx n MET 55 N -1.34 2.10 -0.75 1.61 2.81 -0.80 -4.81 117.12 115.94 3kwx n MET 55 Ca 0.06 -1.76 0.00 0.00 -1.81 0.00 0.00 57.70 54.19 3kwx n MET 55 Cb 0.12 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 3kwx n MET 55 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kwx n GLY 56 N 1.32 0.55 3.82 3.03 0.00 0.03 -3.51 105.19 110.43 3kwx n GLY 56 Ca 0.13 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 3kwx n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kwx s PHE 57 N -2.00 3.21 -0.62 1.61 0.08 -1.25 -4.84 117.98 114.17 3kwx s PHE 57 Ca 0.00 1.56 0.05 0.00 0.12 0.00 0.00 56.93 58.66 3kwx s PHE 57 Cb 0.00 -2.92 0.05 0.00 -0.57 0.00 0.00 43.02 39.58 3kwx s PHE 57 CO 0.00 -0.49 0.70 0.25 -0.10 0.00 0.00 175.22 175.58 3kwx n THR 58 N -1.07 0.08 -3.46 0.64 -2.24 -0.58 -4.65 114.28 103.00 3kwx n THR 58 Ca 0.08 -0.54 -0.12 0.00 -2.27 0.00 0.00 64.05 61.20 3kwx n THR 58 Cb 0.53 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.80 3kwx n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kwx s ALA 59 N -0.47 -1.69 0.14 6.98 0.00 -1.05 -0.79 121.76 124.87 3kwx s ALA 59 Ca 0.06 0.79 0.09 0.00 0.00 0.00 0.00 51.96 52.90 3kwx s ALA 59 Cb 0.04 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 3kwx s ALA 59 CO 0.06 -0.67 -0.20 0.96 0.00 0.00 0.00 175.76 175.91 3kwx s ILE 60 N -3.10 1.85 -0.19 0.00 -4.36 -0.87 -1.27 121.20 113.26 3kwx s ILE 60 Ca 0.00 -1.77 -0.01 0.00 -0.26 0.00 0.00 60.65 58.61 3kwx s ILE 60 Cb -0.01 -1.76 -0.00 0.00 1.25 0.00 0.00 42.46 41.94 3kwx s ILE 60 CO -0.08 -0.17 -0.11 0.86 0.24 0.00 0.00 174.94 175.67 3kwx s TRP 61 N -1.61 2.87 0.12 1.37 -0.00 -0.34 -0.04 118.94 121.30 3kwx s TRP 61 Ca 0.12 -1.12 0.07 0.00 -0.00 0.00 0.00 56.10 55.18 3kwx s TRP 61 Cb -0.08 -1.99 -0.04 0.00 -0.00 0.00 0.00 33.47 31.36 3kwx s TRP 61 CO 0.06 -0.57 -0.09 0.96 -0.00 0.00 0.00 176.95 177.31 3kwx s ILE 62 N 1.20 3.38 0.88 5.86 -4.36 -0.46 -1.29 121.20 126.42 3kwx s ILE 62 Ca 0.02 -1.32 -0.11 0.00 -0.26 0.00 0.00 60.65 58.99 3kwx s ILE 62 Cb -0.14 -2.60 0.12 0.00 1.25 0.00 0.00 42.46 41.09 3kwx s ILE 62 CO -0.05 0.07 1.11 0.42 0.24 0.00 0.00 174.94 176.74 3kwx s THR 63 N -1.30 2.62 0.52 8.37 -4.23 -1.23 -0.99 115.64 119.40 3kwx s THR 63 Ca 0.22 0.20 -0.20 0.00 -1.18 0.00 0.00 61.69 60.73 3kwx s THR 63 Cb -0.11 -2.48 -0.09 0.00 1.34 0.00 0.00 72.50 71.16 3kwx s THR 63 CO 0.14 -0.26 0.65 -2.65 -0.54 0.00 0.00 174.62 171.96 3kwx n PRO 64 N -3.98 0.69 0.00 3.99 -0.02 -1.21 -4.49 135.00 129.98 3kwx n PRO 64 Ca 0.09 0.26 0.08 0.00 -2.02 0.00 0.00 63.50 61.91 3kwx n PRO 64 Cb 0.53 -1.76 -0.03 0.00 -0.02 0.00 0.00 33.50 32.22 3kwx n PRO 64 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3kwx n VAL 65 N -1.32 0.00 -2.18 -1.45 0.24 -1.26 -4.72 118.33 107.64 3kwx n VAL 65 Ca 0.11 -0.25 -0.34 0.00 -2.04 0.00 0.00 64.34 61.83 3kwx n VAL 65 Cb 0.44 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.95 3kwx n VAL 65 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3kwx s THR 66 N -2.17 3.57 0.37 3.34 -4.23 -1.26 -0.69 115.64 114.57 3kwx s THR 66 Ca 0.11 0.85 -0.28 0.00 -1.18 0.00 0.00 61.69 61.20 3kwx s THR 66 Cb 0.13 -3.33 -0.10 0.00 1.34 0.00 0.00 72.50 70.54 3kwx s THR 66 CO 0.51 -0.33 1.37 0.00 -0.54 0.00 0.00 174.62 175.63 3kwx s ALA 67 N -2.16 3.45 0.36 3.99 0.00 0.82 -3.89 121.76 124.33 3kwx s ALA 67 Ca 0.67 1.37 0.08 0.00 0.00 0.00 0.00 51.96 54.08 3kwx s ALA 67 Cb -0.19 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 3kwx s ALA 67 CO 0.31 -0.84 0.23 -0.65 0.00 0.00 0.00 175.76 174.80 3kwx s GLN 68 N -2.02 2.50 0.25 0.00 -1.52 -1.26 -1.30 119.66 116.31 3kwx s GLN 68 Ca 0.52 -1.49 -0.29 0.00 -1.95 0.00 0.00 55.36 52.15 3kwx s GLN 68 Cb -0.42 -2.28 -0.15 0.00 -0.22 0.00 0.00 33.01 29.94 3kwx s GLN 68 CO 0.56 0.04 1.01 1.47 -0.25 0.00 0.00 175.29 178.12 3kwx n LEU 69 N -1.29 1.49 0.11 2.90 -0.00 -0.71 -4.63 117.00 114.87 3kwx n LEU 69 Ca -0.01 1.17 0.09 0.00 -0.00 0.00 0.00 56.01 57.25 3kwx n LEU 69 Cb 0.61 -1.24 0.01 0.00 -0.00 0.00 0.00 43.42 42.80 3kwx n LEU 69 CO 0.43 -1.50 0.10 1.55 -0.00 0.00 0.00 177.39 177.97 3kwx h PRO 70 N 2.27 0.00 -7.12 1.47 0.13 -1.97 -3.42 132.00 123.36 3kwx h PRO 70 Ca -0.39 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.21 3kwx h PRO 70 Cb 1.35 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.59 3kwx h PRO 70 CO 0.63 0.08 0.44 -0.65 -0.23 0.00 0.00 178.00 178.27 3kwx s GLN 71 N -3.24 2.88 -0.58 0.86 1.11 -1.26 -4.97 119.66 114.46 3kwx s GLN 71 Ca 0.00 1.71 -0.23 0.00 0.01 0.00 0.00 55.36 56.85 3kwx s GLN 71 Cb 0.09 -1.93 0.05 0.00 -1.01 0.00 0.00 33.01 30.21 3kwx s GLN 71 CO 0.78 -1.25 0.92 0.99 0.01 0.00 0.00 175.29 176.73 3kwx s THR 72 N -1.81 4.41 0.88 -0.19 2.01 -1.26 -4.58 115.64 115.11 3kwx s THR 72 Ca 0.74 0.03 -0.12 0.00 0.31 0.00 0.00 61.69 62.66 3kwx s THR 72 Cb -0.27 -4.56 0.17 0.00 0.01 0.00 0.00 72.50 67.84 3kwx s THR 72 CO 0.35 -1.18 1.22 0.42 -0.69 0.00 0.00 174.62 174.74 3kwx s THR 73 N 3.87 2.05 -0.50 -0.82 -4.23 -0.27 -4.85 115.64 110.88 3kwx s THR 73 Ca 0.27 -0.14 0.18 0.00 -1.18 0.00 0.00 61.69 60.82 3kwx s THR 73 Cb -0.14 -2.90 0.18 0.00 1.34 0.00 0.00 72.50 70.97 3kwx s THR 73 CO 0.16 0.00 1.56 0.00 -0.54 0.00 0.00 174.62 175.79 3kwx n ALA 74 N -3.48 1.31 -0.96 3.99 0.00 -1.26 -0.83 120.51 119.28 3kwx n ALA 74 Ca 0.14 0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.77 3kwx n ALA 74 Cb 0.60 -1.28 0.28 0.00 0.00 0.00 0.00 19.45 19.05 3kwx n ALA 74 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kwx n TYR 75 N -2.05 1.12 -2.75 0.00 4.01 -1.26 -5.09 117.16 111.14 3kwx n TYR 75 Ca 0.01 -0.85 0.00 0.00 -0.16 0.00 0.00 57.90 56.90 3kwx n TYR 75 Cb 0.11 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 38.80 3kwx n TYR 75 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kwx n GLY 76 N -0.30 -1.71 3.92 2.72 0.00 -0.01 -4.90 105.19 104.91 3kwx n GLY 76 Ca 0.22 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.43 3kwx n GLY 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kwx s ASP 77 N -4.00 5.79 0.00 1.61 1.01 0.70 -1.11 116.67 120.66 3kwx s ASP 77 Ca 0.00 0.66 -0.04 0.00 0.71 0.00 0.00 52.55 53.88 3kwx s ASP 77 Cb 0.00 -1.78 -0.17 0.00 1.01 0.00 0.00 42.92 41.99 3kwx s ASP 77 CO 0.00 -0.88 2.98 0.00 0.21 0.00 0.00 175.17 177.48 3kwx n ALA 78 N -2.40 5.42 0.24 5.23 0.00 -1.26 -4.59 120.51 123.16 3kwx n ALA 78 Ca 0.03 -1.12 0.11 0.00 0.00 0.00 0.00 53.44 52.46 3kwx n ALA 78 Cb 0.57 -1.82 0.63 0.00 0.00 0.00 0.00 19.45 18.82 3kwx n ALA 78 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 3kwx h TYR 79 N 2.28 0.00 0.00 0.00 -0.00 -1.88 -2.65 116.97 114.72 3kwx h TYR 79 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.85 3kwx h TYR 79 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.04 3kwx h TYR 79 CO 1.19 0.17 -0.30 1.12 -0.00 0.00 0.00 178.16 180.35 3kwx h HIS 80 N 0.00 0.00 0.00 0.10 2.07 -1.96 -3.39 115.15 111.97 3kwx h HIS 80 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3kwx h HIS 80 Cb 0.45 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.43 3kwx h HIS 80 CO 0.00 0.00 0.00 0.41 -3.07 0.00 0.00 177.93 175.27 3kwx n GLY 81 N 1.15 0.74 1.19 6.13 0.00 -1.00 -4.31 105.19 109.10 3kwx n GLY 81 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 3kwx n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kwx n TYR 82 N -2.17 0.96 -3.06 1.61 4.01 -1.26 -4.45 117.16 112.79 3kwx n TYR 82 Ca 0.00 -0.43 -0.25 0.00 -0.16 0.00 0.00 57.90 57.05 3kwx n TYR 82 Cb 0.00 -0.08 -0.05 0.00 -0.31 0.00 0.00 39.34 38.90 3kwx n TYR 82 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 3kwx n TRP 83 N 1.10 3.24 -2.09 -0.72 8.01 -1.26 -4.66 117.44 121.05 3kwx n TRP 83 Ca 0.20 -3.98 -0.32 0.00 -1.31 0.00 0.00 57.50 52.09 3kwx n TRP 83 Cb 0.60 -0.48 0.00 0.00 -2.01 0.00 0.00 31.31 29.41 3kwx n TRP 83 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.69 177.82 3kwx s GLN 84 N -3.08 3.49 0.00 -0.99 -2.07 -1.26 -1.74 119.66 114.01 3kwx s GLN 84 Ca 0.46 1.08 0.00 0.00 -1.82 0.00 0.00 55.36 55.07 3kwx s GLN 84 Cb 0.27 -2.06 0.00 0.00 -1.09 0.00 0.00 33.01 30.12 3kwx s GLN 84 CO -0.11 -0.66 0.00 1.04 -1.32 0.00 0.00 175.29 174.24 3kwx n GLN 85 N -2.05 0.98 -3.70 9.60 6.02 -0.42 -0.62 117.38 127.20 3kwx n GLN 85 Ca 0.08 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.77 3kwx n GLN 85 Cb 0.53 -0.71 -0.15 0.00 1.02 0.00 0.00 30.24 30.93 3kwx n GLN 85 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3kwx s ASP 86 N -2.51 3.80 0.07 1.08 2.15 -1.16 -0.73 116.67 119.37 3kwx s ASP 86 Ca 0.00 -1.46 0.25 0.00 0.43 0.00 0.00 52.55 51.76 3kwx s ASP 86 Cb 0.00 -0.73 1.00 0.00 -0.30 0.00 0.00 42.92 42.89 3kwx s ASP 86 CO 0.00 -0.41 1.78 2.30 -0.17 0.00 0.00 175.17 178.67 3kwx n ILE 87 N 4.95 0.41 0.21 4.11 -5.35 -0.80 -2.86 119.36 120.03 3kwx n ILE 87 Ca -0.04 0.01 0.12 0.00 -0.27 0.00 0.00 62.75 62.57 3kwx n ILE 87 Cb 0.43 -0.68 0.25 0.00 -1.74 0.00 0.00 39.64 37.90 3kwx n ILE 87 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3kwx n TYR 88 N -1.73 0.61 -4.41 4.28 4.01 -1.26 -4.86 117.16 113.80 3kwx n TYR 88 Ca 0.06 -0.31 -0.26 0.00 -0.16 0.00 0.00 57.90 57.22 3kwx n TYR 88 Cb 0.31 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.21 3kwx n TYR 88 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3kwx s SER 89 N -1.35 2.86 0.45 7.72 0.01 -1.13 -5.07 113.70 117.18 3kwx s SER 89 Ca 0.41 -0.68 -0.10 0.00 1.31 0.00 0.00 55.95 56.89 3kwx s SER 89 Cb 0.23 -0.19 -0.06 0.00 0.21 0.00 0.00 66.02 66.22 3kwx s SER 89 CO 0.31 0.13 0.81 -0.76 0.41 0.00 0.00 173.24 174.15 3kwx s LEU 90 N -1.82 3.71 -0.33 2.44 1.43 -1.26 -0.13 118.68 122.71 3kwx s LEU 90 Ca 0.10 1.13 -0.29 0.00 -1.03 0.00 0.00 54.13 54.04 3kwx s LEU 90 Cb -0.10 -4.05 -0.01 0.00 0.03 0.00 0.00 46.19 42.06 3kwx s LEU 90 CO 0.04 -0.50 1.65 0.21 0.23 0.00 0.00 176.35 177.98 3kwx s ASN 91 N -3.50 6.12 0.58 2.29 3.84 0.13 -4.09 114.94 120.31 3kwx s ASN 91 Ca 0.51 1.23 0.33 0.00 0.21 0.00 0.00 52.86 55.14 3kwx s ASN 91 Cb -0.10 -2.53 1.79 0.00 -0.55 0.00 0.00 41.25 39.86 3kwx s ASN 91 CO 0.37 -1.54 2.19 -0.33 -2.79 0.00 0.00 177.10 175.01 3kwx h GLU 92 N 11.80 0.00 -0.23 0.43 5.08 -1.91 -2.57 114.58 127.18 3kwx h GLU 92 Ca -0.32 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.11 3kwx h GLU 92 Cb 1.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 3kwx h GLU 92 CO 1.04 0.05 0.21 -0.91 -1.00 0.00 0.00 179.01 178.39 3kwx h ASN 93 N 0.00 0.00 0.07 1.42 4.21 -1.96 -2.28 115.58 117.04 3kwx h ASN 93 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3kwx h ASN 93 Cb 0.17 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.37 3kwx h ASN 93 CO 0.01 0.00 -0.45 -1.22 -1.29 0.00 0.00 177.43 174.48 3kwx n TYR 94 N -4.08 0.00 0.00 1.19 4.01 -0.97 -4.73 117.16 112.59 3kwx n TYR 94 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 3kwx n TYR 94 Cb 0.35 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 3kwx n TYR 94 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kwx n GLY 95 N 1.40 0.60 3.84 2.72 0.00 -0.86 -1.68 105.19 111.21 3kwx n GLY 95 Ca 0.10 -2.20 -0.22 0.00 0.00 0.00 0.00 46.02 43.70 3kwx n GLY 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kwx s THR 96 N -0.53 2.70 0.40 2.61 -4.23 -1.26 -4.42 115.64 110.91 3kwx s THR 96 Ca 0.00 -1.44 0.15 0.00 -1.18 0.00 0.00 61.69 59.22 3kwx s THR 96 Cb 0.00 -3.02 0.36 0.00 1.34 0.00 0.00 72.50 71.18 3kwx s THR 96 CO 0.00 -0.03 1.87 0.00 -0.54 0.00 0.00 174.62 175.92 3kwx h ALA 97 N 1.16 2.09 -0.55 3.99 0.00 -1.98 0.80 119.26 124.77 3kwx h ALA 97 Ca -0.42 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 3kwx h ALA 97 Cb 1.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3kwx h ALA 97 CO 0.60 -0.35 -0.01 -0.44 0.00 0.00 0.00 179.25 179.06 3kwx h ASP 98 N 0.48 0.92 -0.51 0.00 3.45 -1.99 -1.70 116.42 117.07 3kwx h ASP 98 Ca 0.45 -0.25 -0.00 0.00 0.43 0.00 0.00 57.03 57.66 3kwx h ASP 98 Cb 0.99 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 39.49 3kwx h ASP 98 CO -0.18 0.98 0.32 0.44 -1.57 0.00 0.00 179.24 179.23 3kwx h ASP 99 N 0.87 0.61 -0.24 6.45 3.32 -1.25 0.13 116.42 126.31 3kwx h ASP 99 Ca 0.16 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3kwx h ASP 99 Cb 0.52 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3kwx h ASP 99 CO 0.03 0.47 0.12 0.25 -1.72 0.00 0.00 179.24 178.39 3kwx h LEU 100 N 0.69 0.30 -1.56 1.55 5.85 -1.03 -0.57 115.31 120.54 3kwx h LEU 100 Ca 0.18 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3kwx h LEU 100 Cb -0.03 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3kwx h LEU 100 CO -0.04 0.32 0.03 0.11 -0.34 0.00 0.00 178.44 178.52 3kwx h LYS 101 N 0.26 0.30 -0.59 1.25 1.57 -1.15 -1.72 116.57 116.50 3kwx h LYS 101 Ca 0.08 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 3kwx h LYS 101 Cb 0.10 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3kwx h LYS 101 CO -0.01 0.31 0.05 0.00 -0.57 0.00 0.00 179.45 179.23 3kwx h ALA 102 N 1.73 0.78 -0.42 3.86 0.00 -0.02 -0.61 119.26 124.58 3kwx h ALA 102 Ca 0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3kwx h ALA 102 Cb 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3kwx h ALA 102 CO 0.00 0.58 0.17 1.25 0.00 0.00 0.00 179.25 181.25 3kwx h LEU 103 N 0.90 0.58 0.04 0.00 5.85 -0.47 0.17 115.31 122.38 3kwx h LEU 103 Ca 0.17 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3kwx h LEU 103 Cb 0.49 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3kwx h LEU 103 CO 0.02 0.59 -0.13 -1.28 -0.34 0.00 0.00 178.44 177.30 3kwx h SER 104 N 0.54 -0.37 -0.47 1.25 0.87 -1.13 -0.13 113.55 114.11 3kwx h SER 104 Ca 0.14 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.69 3kwx h SER 104 Cb 0.18 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 3kwx h SER 104 CO -0.01 -0.19 0.06 0.77 -0.53 0.00 0.00 176.83 176.92 3kwx h SER 105 N -0.24 0.76 -0.97 6.23 4.64 -0.97 -0.97 113.55 122.03 3kwx h SER 105 Ca 0.03 -0.27 0.07 0.00 -0.47 0.00 0.00 61.79 61.15 3kwx h SER 105 Cb 0.28 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 62.10 3kwx h SER 105 CO -0.10 0.84 0.63 0.00 -0.87 0.00 0.00 176.83 177.33 3kwx h ALA 106 N 0.94 1.44 -0.40 5.18 0.00 -0.79 0.49 119.26 126.13 3kwx h ALA 106 Ca 0.14 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3kwx h ALA 106 Cb 0.42 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kwx h ALA 106 CO 0.01 0.41 0.00 -0.07 0.00 0.00 0.00 179.25 179.61 3kwx h LEU 107 N 1.13 0.69 -0.87 0.00 3.38 -0.69 -3.10 115.31 115.86 3kwx h LEU 107 Ca 0.42 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 3kwx h LEU 107 Cb 0.18 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3kwx h LEU 107 CO -0.16 0.83 -0.19 0.45 0.09 0.00 0.00 178.44 179.46 3kwx h HIS 108 N 0.54 0.71 0.00 1.13 3.86 -0.28 0.30 115.15 121.40 3kwx h HIS 108 Ca 0.11 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3kwx h HIS 108 Cb 0.47 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.77 3kwx h HIS 108 CO 0.04 0.78 0.00 -1.91 0.86 0.00 0.00 177.93 177.70 3kwx n GLU 109 N -4.14 0.12 -0.10 2.45 2.13 0.16 -1.05 120.64 120.21 3kwx n GLU 109 Ca 0.00 0.20 0.05 0.00 0.66 0.00 0.00 57.16 58.07 3kwx n GLU 109 Cb 0.39 -1.50 0.10 0.00 0.27 0.00 0.00 31.44 30.70 3kwx n GLU 109 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3kwx n ARG 110 N -1.37 1.97 -1.50 5.31 1.74 -0.78 -4.97 116.66 117.06 3kwx n ARG 110 Ca 0.05 -1.64 -0.07 0.00 -0.77 0.00 0.00 57.85 55.42 3kwx n ARG 110 Cb 0.13 -1.21 -0.02 0.00 -1.02 0.00 0.00 32.46 30.34 3kwx n ARG 110 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kwx n GLY 111 N 0.42 0.65 3.80 -0.13 0.00 -0.22 -5.04 105.19 104.67 3kwx n GLY 111 Ca 0.08 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 3kwx n GLY 111 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kwx s MET 112 N -3.16 2.85 0.06 1.61 1.00 0.99 -4.96 119.30 117.69 3kwx s MET 112 Ca 0.00 -1.08 0.01 0.00 0.00 0.00 0.00 55.69 54.62 3kwx s MET 112 Cb 0.00 -2.52 -0.04 0.00 0.00 0.00 0.00 34.83 32.27 3kwx s MET 112 CO 0.00 0.41 0.16 0.71 0.00 0.00 0.00 175.02 176.30 3kwx s TYR 113 N -2.11 3.40 -0.25 -0.03 2.02 0.03 -3.42 117.35 116.99 3kwx s TYR 113 Ca 0.32 0.19 -0.09 0.00 -0.37 0.00 0.00 57.07 57.12 3kwx s TYR 113 Cb -0.08 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.73 3kwx s TYR 113 CO 0.24 0.57 0.13 -1.17 -1.57 0.00 0.00 175.55 173.74 3kwx s LEU 114 N -2.44 3.81 -0.12 -1.29 2.96 -1.26 -2.05 118.68 118.28 3kwx s LEU 114 Ca 0.33 -0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 54.17 3kwx s LEU 114 Cb -0.13 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 3kwx s LEU 114 CO 0.25 0.00 -0.05 -0.32 -1.32 0.00 0.00 176.35 174.92 3kwx s MET 115 N 1.42 3.36 -0.07 1.98 -2.45 0.94 -1.37 119.30 123.11 3kwx s MET 115 Ca 0.06 -0.53 0.04 0.00 -1.25 0.00 0.00 55.69 54.01 3kwx s MET 115 Cb -0.15 -2.80 -0.02 0.00 1.25 0.00 0.00 34.83 33.12 3kwx s MET 115 CO 0.06 0.39 -0.20 0.08 1.05 0.00 0.00 175.02 176.40 3kwx s VAL 116 N -0.04 2.53 0.02 10.11 1.01 -0.59 -1.35 120.40 132.08 3kwx s VAL 116 Ca 0.01 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 3kwx s VAL 116 Cb -0.13 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 3kwx s VAL 116 CO 0.03 0.57 1.16 -0.62 0.00 0.00 0.00 175.10 176.23 3kwx s ASP 117 N -0.25 7.13 -0.00 3.32 -1.08 -0.16 -1.62 116.67 124.01 3kwx s ASP 117 Ca -0.00 1.90 0.04 0.00 -0.52 0.00 0.00 52.55 53.96 3kwx s ASP 117 Cb -0.13 -2.57 -0.01 0.00 -1.46 0.00 0.00 42.92 38.75 3kwx s ASP 117 CO 0.03 -0.46 -0.13 0.68 0.52 0.00 0.00 175.17 175.81 3kwx s VAL 118 N 1.34 0.99 -0.16 1.11 -7.23 -0.34 -3.36 120.40 112.75 3kwx s VAL 118 Ca 0.57 -0.60 -0.06 0.00 -1.81 0.00 0.00 61.98 60.08 3kwx s VAL 118 Cb -0.27 -0.84 -0.03 0.00 0.56 0.00 0.00 36.38 35.80 3kwx s VAL 118 CO 0.27 0.23 0.02 -0.69 -0.31 0.00 0.00 175.10 174.62 3kwx s VAL 119 N -0.38 4.40 -0.02 1.32 1.01 -1.26 -1.56 120.40 123.91 3kwx s VAL 119 Ca 0.04 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 61.92 3kwx s VAL 119 Cb -0.05 -2.95 -0.12 0.00 0.00 0.00 0.00 36.38 33.25 3kwx s VAL 119 CO -0.00 0.48 0.16 0.00 0.00 0.00 0.00 175.10 175.74 3kwx n ALA 120 N 3.43 2.24 -0.02 5.51 0.00 -1.26 -4.76 120.51 125.65 3kwx n ALA 120 Ca -0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 53.44 53.03 3kwx n ALA 120 Cb 0.52 -0.23 0.24 0.00 0.00 0.00 0.00 19.45 19.98 3kwx n ALA 120 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3kwx h ASN 121 N 0.00 0.54 -5.01 0.00 -1.24 -1.89 -3.44 115.58 104.54 3kwx h ASN 121 Ca -0.02 -0.13 0.05 0.00 0.71 0.00 0.00 56.30 56.91 3kwx h ASN 121 Cb 0.49 -0.14 -0.09 0.00 0.73 0.00 0.00 38.32 39.31 3kwx h ASN 121 CO 0.00 0.66 0.26 -1.38 -1.29 0.00 0.00 177.43 175.68 3kwx s HIS 122 N -4.84 -0.33 0.52 0.67 -3.43 -1.26 -1.59 115.29 105.04 3kwx s HIS 122 Ca -0.08 -0.01 0.07 0.00 -0.80 0.00 0.00 55.06 54.24 3kwx s HIS 122 Cb 0.15 0.64 0.04 0.00 -1.43 0.00 0.00 32.58 31.97 3kwx s HIS 122 CO 0.78 -1.02 0.48 -1.64 -2.00 0.00 0.00 174.74 171.34 3kwx s MET 123 N -3.76 2.32 0.00 -0.38 -1.94 -0.86 -4.69 119.30 109.99 3kwx s MET 123 Ca 0.07 -1.85 0.05 0.00 -1.71 0.00 0.00 55.69 52.25 3kwx s MET 123 Cb -0.03 -2.26 -0.03 0.00 2.01 0.00 0.00 34.83 34.51 3kwx s MET 123 CO -0.02 -0.58 -0.15 0.20 -0.01 0.00 0.00 175.02 174.46 3kwx s GLY 124 N -4.33 1.59 -0.04 -0.03 0.00 0.21 -3.01 107.32 101.71 3kwx s GLY 124 Ca 0.43 -1.08 -0.02 0.00 0.00 0.00 0.00 44.72 44.04 3kwx s GLY 124 CO 0.26 -0.93 0.10 -0.47 0.00 0.00 0.00 173.10 172.05 3kwx s TYR 125 N -0.87 -0.09 -0.87 1.90 5.04 -0.05 -4.68 117.35 117.73 3kwx s TYR 125 Ca 0.14 0.30 -0.25 0.00 -2.44 0.00 0.00 57.07 54.83 3kwx s TYR 125 Cb -0.11 -0.08 0.04 0.00 0.35 0.00 0.00 41.96 42.17 3kwx s TYR 125 CO 0.04 -0.10 1.34 0.34 -1.34 0.00 0.00 175.55 175.82 3kwx s ASP 126 N 0.72 6.33 0.00 4.32 2.15 -1.26 -0.96 116.67 127.98 3kwx s ASP 126 Ca -0.06 -0.99 0.00 0.00 0.43 0.00 0.00 52.55 51.93 3kwx s ASP 126 Cb -0.08 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 3kwx s ASP 126 CO -0.03 -1.64 0.00 0.61 -0.17 0.00 0.00 175.17 173.94 3kwx n GLY 127 N 6.07 2.31 3.73 2.66 0.00 -0.85 -4.99 105.19 114.12 3kwx n GLY 127 Ca 0.17 -1.62 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 3kwx n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwx s ALA 128 N -1.82 2.35 0.10 4.61 0.00 -1.00 -3.37 121.76 122.64 3kwx s ALA 128 Ca 0.00 1.14 -0.17 0.00 0.00 0.00 0.00 51.96 52.93 3kwx s ALA 128 Cb 0.00 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 3kwx s ALA 128 CO 0.00 -1.59 1.55 0.78 0.00 0.00 0.00 175.76 176.50 3kwx h GLY 129 N 0.45 0.60 2.00 0.00 0.00 -1.82 -3.03 103.07 101.27 3kwx h GLY 129 Ca -0.50 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.37 3kwx h GLY 129 CO 0.53 0.40 -0.09 1.48 0.00 0.00 0.00 176.54 178.86 3kwx h SER 130 N 0.36 0.00 -0.17 0.19 4.64 -1.97 -2.96 113.55 113.64 3kwx h SER 130 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3kwx h SER 130 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3kwx h SER 130 CO 0.01 0.09 0.00 -1.54 -0.87 0.00 0.00 176.83 174.52 3kwx n SER 131 N -3.38 2.94 -4.62 4.97 3.41 -1.15 -5.00 113.62 110.79 3kwx n SER 131 Ca -0.01 -1.93 -0.50 0.00 -0.26 0.00 0.00 58.87 56.17 3kwx n SER 131 Cb 0.26 -0.10 -0.05 0.00 -0.26 0.00 0.00 64.21 64.06 3kwx n SER 131 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3kwx n VAL 132 N 1.22 0.07 -3.04 -3.33 0.31 -1.12 -4.92 118.33 107.52 3kwx n VAL 132 Ca 0.17 -0.02 -0.44 0.00 -0.01 0.00 0.00 64.34 64.03 3kwx n VAL 132 Cb 0.56 -1.05 -0.04 0.00 -0.91 0.00 0.00 33.84 32.40 3kwx n VAL 132 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kwx s ASP 133 N 0.58 6.38 0.45 4.52 2.15 -1.26 -4.91 116.67 124.58 3kwx s ASP 133 Ca 0.82 -1.69 0.31 0.00 0.43 0.00 0.00 52.55 52.42 3kwx s ASP 133 Cb -0.86 -2.34 1.56 0.00 -0.30 0.00 0.00 42.92 40.98 3kwx s ASP 133 CO 0.44 -1.09 1.93 1.88 -0.17 0.00 0.00 175.17 178.17 3kwx h TYR 134 N 8.98 0.00 0.00 -5.34 0.05 -1.91 -2.97 116.97 115.78 3kwx h TYR 134 Ca -0.12 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.65 3kwx h TYR 134 Cb 1.06 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.80 3kwx h TYR 134 CO 0.97 0.00 -0.03 0.66 -1.05 0.00 0.00 178.16 178.72 3kwx h SER 135 N 0.00 0.00 0.50 3.88 4.64 -1.90 -2.29 113.55 118.38 3kwx h SER 135 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3kwx h SER 135 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3kwx h SER 135 CO 0.00 0.03 -0.47 -0.37 -0.87 0.00 0.00 176.83 175.15 3kwx h VAL 136 N 0.00 1.31 -3.85 0.95 -1.51 -1.83 -3.46 116.25 107.86 3kwx h VAL 136 Ca -0.00 -1.63 -0.50 0.00 -1.23 0.00 0.00 66.70 63.35 3kwx h VAL 136 Cb 0.19 1.88 0.01 0.00 -2.13 0.00 0.00 31.29 31.24 3kwx h VAL 136 CO 0.00 0.46 0.44 -0.36 -1.23 0.00 0.00 177.57 176.88 3kwx s PHE 137 N -3.92 3.55 -0.08 5.19 0.08 -0.86 -4.78 117.98 117.16 3kwx s PHE 137 Ca -0.02 1.72 0.00 0.00 0.12 0.00 0.00 56.93 58.75 3kwx s PHE 137 Cb 0.13 -3.19 0.02 0.00 -0.57 0.00 0.00 43.02 39.42 3kwx s PHE 137 CO 0.74 -0.42 -0.06 0.15 -0.10 0.00 0.00 175.22 175.53 3kwx s LYS 138 N -1.72 1.17 0.00 0.44 1.02 0.09 -3.01 119.74 117.73 3kwx s LYS 138 Ca 0.48 -0.16 0.27 0.00 0.02 0.00 0.00 55.97 56.58 3kwx s LYS 138 Cb -0.28 -1.23 0.82 0.00 -0.52 0.00 0.00 37.83 36.61 3kwx s LYS 138 CO 0.36 -0.18 1.61 -0.35 -0.92 0.00 0.00 175.35 175.86 3kwx n PRO 139 N 4.59 1.55 -1.24 -1.68 -0.05 -1.26 -1.91 135.00 135.00 3kwx n PRO 139 Ca -0.16 -0.99 -0.35 0.00 -0.05 0.00 0.00 63.50 61.95 3kwx n PRO 139 Cb 0.50 -1.48 -0.05 0.00 -0.05 0.00 0.00 33.50 32.43 3kwx n PRO 139 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 3kwx n PHE 140 N 0.14 2.04 0.77 0.54 3.72 -1.25 -4.73 117.46 118.71 3kwx n PHE 140 Ca 0.16 -2.83 0.00 0.00 -0.05 0.00 0.00 57.45 54.74 3kwx n PHE 140 Cb 0.39 -2.33 0.04 0.00 -0.94 0.00 0.00 39.48 36.64 3kwx n PHE 140 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kwx n SER 141 N 3.47 1.77 -3.74 4.37 3.41 -1.16 -4.64 113.62 117.09 3kwx n SER 141 Ca 0.72 -2.12 -0.12 0.00 -0.26 0.00 0.00 58.87 57.09 3kwx n SER 141 Cb 0.31 -0.52 -0.07 0.00 -0.26 0.00 0.00 64.21 63.67 3kwx n SER 141 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3kwx s SER 142 N 0.02 -0.16 0.54 4.04 1.04 -1.26 -3.64 113.70 114.28 3kwx s SER 142 Ca 0.06 -0.13 0.28 0.00 0.48 0.00 0.00 55.95 56.64 3kwx s SER 142 Cb 0.05 0.37 1.44 0.00 0.10 0.00 0.00 66.02 67.98 3kwx s SER 142 CO 0.02 -0.61 1.95 -0.61 0.98 0.00 0.00 173.24 174.96 3kwx h GLN 143 N 3.22 0.00 -0.57 4.02 4.15 -1.90 -1.43 115.11 122.60 3kwx h GLN 143 Ca -0.31 0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.26 3kwx h GLN 143 Cb 1.20 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 28.78 3kwx h GLN 143 CO 0.45 0.00 -0.01 -3.47 -1.93 0.00 0.00 178.83 173.87 3kwx n ASP 144 N -4.27 -0.09 -0.18 -0.69 2.03 -1.26 -1.17 116.55 110.92 3kwx n ASP 144 Ca 0.13 0.98 0.14 0.00 0.52 0.00 0.00 54.79 56.56 3kwx n ASP 144 Cb 0.75 -0.35 0.60 0.00 -0.72 0.00 0.00 41.12 41.40 3kwx n ASP 144 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 3kwx n TYR 145 N -4.75 0.00 -4.29 -0.67 4.01 -0.54 -4.91 117.16 106.01 3kwx n TYR 145 Ca 0.13 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.58 3kwx n TYR 145 Cb 0.42 -0.12 -0.11 0.00 -0.31 0.00 0.00 39.34 39.22 3kwx n TYR 145 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3kwx s PHE 146 N -2.35 2.59 0.38 -0.72 0.40 -0.32 -0.63 117.98 117.33 3kwx s PHE 146 Ca 0.32 -0.24 -0.27 0.00 -0.60 0.00 0.00 56.93 56.14 3kwx s PHE 146 Cb 0.20 -1.34 -0.09 0.00 0.51 0.00 0.00 43.02 42.30 3kwx s PHE 146 CO 0.45 0.43 1.31 -1.01 0.70 0.00 0.00 175.22 177.10 3kwx s HIS 147 N -1.30 2.88 0.39 0.36 3.76 0.18 -4.62 115.29 116.93 3kwx s HIS 147 Ca 0.20 1.40 -0.25 0.00 -0.15 0.00 0.00 55.06 56.26 3kwx s HIS 147 Cb -0.10 -3.69 -0.12 0.00 1.11 0.00 0.00 32.58 29.78 3kwx s HIS 147 CO 0.12 -2.06 0.97 -2.30 -0.85 0.00 0.00 174.74 170.62 3kwx n PRO 148 N 0.35 1.30 -1.71 8.40 -0.02 -1.26 -4.69 135.00 137.36 3kwx n PRO 148 Ca 0.02 0.46 -0.43 0.00 -2.02 0.00 0.00 63.50 61.54 3kwx n PRO 148 Cb 0.43 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 31.92 3kwx n PRO 148 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kwx n PHE 149 N -0.34 2.68 -3.62 6.00 7.35 -1.26 -4.81 117.46 123.45 3kwx n PHE 149 Ca 0.09 0.14 -0.04 0.00 -0.76 0.00 0.00 57.45 56.88 3kwx n PHE 149 Cb 0.37 -2.63 -0.04 0.00 0.35 0.00 0.00 39.48 37.54 3kwx n PHE 149 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kwx s PHE 151 N -1.37 3.38 -0.53 0.00 0.08 -1.26 0.21 117.98 118.49 3kwx s PHE 151 Ca 0.07 0.05 -0.27 0.00 0.12 0.00 0.00 56.93 56.90 3kwx s PHE 151 Cb -0.01 -1.60 -0.01 0.00 -0.57 0.00 0.00 43.02 40.83 3kwx s PHE 151 CO -0.05 0.51 1.68 0.42 -0.10 0.00 0.00 175.22 177.67 3kwx s ILE 152 N -1.80 3.54 -0.06 0.64 1.01 -1.22 -4.76 121.20 118.55 3kwx s ILE 152 Ca 0.33 0.44 -0.02 0.00 0.00 0.00 0.00 60.65 61.41 3kwx s ILE 152 Cb -0.10 -4.06 -0.26 0.00 0.01 0.00 0.00 42.46 38.04 3kwx s ILE 152 CO 0.27 -0.90 0.60 1.56 0.00 0.00 0.00 174.94 176.48 3kwx h GLN 153 N 13.02 0.22 -3.68 2.79 1.08 -1.96 -3.45 115.11 123.13 3kwx h GLN 153 Ca -0.28 -0.37 -0.56 0.00 -1.45 0.00 0.00 58.65 55.99 3kwx h GLN 153 Cb 1.14 0.14 -0.40 0.00 -0.05 0.00 0.00 27.48 28.31 3kwx h GLN 153 CO 1.16 1.04 -0.76 1.21 -0.95 0.00 0.00 178.83 180.53 3kwx s ASN 154 N -6.84 3.55 0.00 1.46 2.47 -1.26 -5.00 114.94 109.31 3kwx s ASN 154 Ca -0.14 -1.23 0.14 0.00 0.42 0.00 0.00 52.86 52.05 3kwx s ASN 154 Cb 0.07 -0.80 0.77 0.00 -1.45 0.00 0.00 41.25 39.84 3kwx s ASN 154 CO 0.81 -0.34 1.35 -1.22 -3.72 0.00 0.00 177.10 173.99 3kwx n TYR 155 N 4.90 0.00 0.81 0.43 4.02 -1.26 -1.70 117.16 124.36 3kwx n TYR 155 Ca -0.06 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.94 3kwx n TYR 155 Cb 0.44 -0.18 0.16 0.00 -0.02 0.00 0.00 39.34 39.74 3kwx n TYR 155 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3kwx n GLU 156 N -1.18 0.13 -3.06 -0.72 -0.58 -1.26 -4.58 120.64 109.38 3kwx n GLU 156 Ca 0.08 0.02 -0.45 0.00 -0.42 0.00 0.00 57.16 56.39 3kwx n GLU 156 Cb 0.09 -1.56 -0.03 0.00 -0.57 0.00 0.00 31.44 29.37 3kwx n GLU 156 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3kwx s ASP 157 N -3.48 6.50 0.58 1.62 -1.08 -0.69 -4.92 116.67 115.20 3kwx s ASP 157 Ca 0.08 -1.93 0.27 0.00 -0.52 0.00 0.00 52.55 50.45 3kwx s ASP 157 Cb 0.16 -2.33 1.70 0.00 -1.46 0.00 0.00 42.92 40.98 3kwx s ASP 157 CO 0.74 -1.01 2.21 -0.61 0.52 0.00 0.00 175.17 177.02 3kwx h GLN 158 N 8.76 0.00 -0.37 4.34 5.75 -1.84 -0.58 115.11 131.17 3kwx h GLN 158 Ca -0.01 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.34 3kwx h GLN 158 Cb 1.05 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.59 3kwx h GLN 158 CO 1.04 0.00 -0.36 1.15 -2.65 0.00 0.00 178.83 178.01 3kwx h THR 159 N 0.00 1.28 -0.54 2.39 2.02 -1.94 -2.18 112.91 113.94 3kwx h THR 159 Ca 0.02 -1.53 -0.03 0.00 0.77 0.00 0.00 66.41 65.64 3kwx h THR 159 Cb 0.11 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 3kwx h THR 159 CO -0.00 0.51 0.21 1.56 0.37 0.00 0.00 175.52 178.17 3kwx h GLN 160 N 0.72 0.81 -0.79 6.66 4.20 -1.45 0.98 115.11 126.24 3kwx h GLN 160 Ca 0.07 -0.15 0.07 0.00 0.06 0.00 0.00 58.65 58.70 3kwx h GLN 160 Cb 0.93 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.53 3kwx h GLN 160 CO 0.09 0.71 0.51 0.28 -0.67 0.00 0.00 178.83 179.75 3kwx h VAL 161 N 0.73 1.02 0.02 -0.54 2.07 -1.17 -0.83 116.25 117.55 3kwx h VAL 161 Ca 0.18 -0.28 -0.31 0.00 0.82 0.00 0.00 66.70 67.11 3kwx h VAL 161 Cb 0.20 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.05 3kwx h VAL 161 CO -0.01 0.15 -1.80 -0.62 0.02 0.00 0.00 177.57 175.30 3kwx n GLU 162 N -4.49 0.65 -0.03 1.57 1.02 -0.83 -4.54 120.64 114.00 3kwx n GLU 162 Ca 0.12 0.27 0.01 0.00 -0.02 0.00 0.00 57.16 57.54 3kwx n GLU 162 Cb 0.24 -1.76 -0.14 0.00 -0.02 0.00 0.00 31.44 29.76 3kwx n GLU 162 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3kwx n ASP 163 N -3.09 0.23 -4.96 1.62 9.92 0.32 -4.70 116.55 115.89 3kwx n ASP 163 Ca -0.20 0.10 -0.22 0.00 -0.53 0.00 0.00 54.79 53.93 3kwx n ASP 163 Cb 1.06 1.16 0.04 0.00 -0.64 0.00 0.00 41.12 42.74 3kwx n ASP 163 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kwx s TRP 165 N -2.87 3.76 1.10 0.00 0.52 0.13 -4.81 118.94 116.78 3kwx s TRP 165 Ca 0.57 1.27 -0.19 0.00 0.02 0.00 0.00 56.10 57.78 3kwx s TRP 165 Cb -0.10 -2.57 0.26 0.00 -1.15 0.00 0.00 33.47 29.91 3kwx s TRP 165 CO 0.40 0.48 1.26 1.28 0.02 0.00 0.00 176.95 180.39 3kwx n LEU 166 N 2.13 0.00 0.00 2.99 4.77 -1.26 -3.43 117.00 122.20 3kwx n LEU 166 Ca -0.08 -1.37 0.00 0.00 -0.03 0.00 0.00 56.01 54.53 3kwx n LEU 166 Cb 0.51 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 3kwx n LEU 166 CO 0.43 -1.76 0.00 0.61 -1.33 0.00 0.00 177.39 175.34 3kwx n GLY 167 N -4.29 -0.75 0.00 -0.72 0.00 -1.26 -3.56 105.19 94.60 3kwx n GLY 167 Ca 0.16 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3kwx n GLY 167 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kwx n ASP 168 N -0.26 0.00 -0.72 1.61 5.68 -0.93 -4.93 116.55 117.00 3kwx n ASP 168 Ca 0.00 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.40 3kwx n ASP 168 Cb 0.00 0.00 0.33 0.00 -1.14 0.00 0.00 41.12 40.31 3kwx n ASP 168 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3kwx n ASN 169 N 0.00 2.17 -0.10 -1.12 3.02 -1.26 -3.12 115.26 114.85 3kwx n ASN 169 Ca 0.00 -1.79 -0.16 0.00 -0.03 0.00 0.00 54.58 52.60 3kwx n ASN 169 Cb 0.00 -0.13 -0.06 0.00 -0.61 0.00 0.00 39.78 38.98 3kwx n ASN 169 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3kwx n THR 170 N 0.66 1.50 -4.07 3.41 -1.04 -1.26 -2.37 114.28 111.11 3kwx n THR 170 Ca 0.17 -0.02 -0.32 0.00 -2.04 0.00 0.00 64.05 61.84 3kwx n THR 170 Cb 0.41 -2.18 -0.15 0.00 -1.82 0.00 0.00 70.33 66.59 3kwx n THR 170 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3kwx s VAL 171 N -2.59 2.08 0.24 12.58 1.01 -1.26 -2.01 120.40 130.45 3kwx s VAL 171 Ca -0.29 -1.45 -0.02 0.00 0.00 0.00 0.00 61.98 60.22 3kwx s VAL 171 Cb 0.07 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 3kwx s VAL 171 CO 0.43 0.08 0.46 -0.94 0.00 0.00 0.00 175.10 175.13 3kwx s SER 172 N 1.17 6.40 -0.63 3.32 1.04 -0.13 -2.18 113.70 122.68 3kwx s SER 172 Ca -0.06 0.52 0.05 0.00 0.48 0.00 0.00 55.95 56.94 3kwx s SER 172 Cb -0.18 -2.06 0.19 0.00 0.10 0.00 0.00 66.02 64.06 3kwx s SER 172 CO -0.07 -0.12 0.51 0.18 0.98 0.00 0.00 173.24 174.73 3kwx n LEU 173 N -0.83 2.43 -4.70 2.42 4.77 -1.23 -0.87 117.00 119.00 3kwx n LEU 173 Ca -0.04 -5.09 -0.54 0.00 -0.03 0.00 0.00 56.01 50.32 3kwx n LEU 173 Cb 0.54 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 3kwx n LEU 173 CO 0.48 1.84 1.41 -2.65 -1.33 0.00 0.00 177.39 177.14 3kwx n PRO 174 N 1.90 1.57 -3.07 3.23 -0.02 -1.16 -4.25 135.00 133.19 3kwx n PRO 174 Ca 0.23 0.57 -0.42 0.00 -2.02 0.00 0.00 63.50 61.87 3kwx n PRO 174 Cb 0.39 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.48 3kwx n PRO 174 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kwx s ASP 175 N 3.85 6.43 0.37 2.55 2.15 -1.26 -2.04 116.67 128.72 3kwx s ASP 175 Ca 0.96 0.07 -0.28 0.00 0.43 0.00 0.00 52.55 53.73 3kwx s ASP 175 Cb -0.92 -2.34 -0.11 0.00 -0.30 0.00 0.00 42.92 39.25 3kwx s ASP 175 CO 0.60 -0.68 1.47 -0.76 -0.17 0.00 0.00 175.17 175.63 3kwx s LEU 176 N 2.85 4.33 -1.16 -1.34 1.43 -0.62 -0.65 118.68 123.51 3kwx s LEU 176 Ca 0.26 3.01 -0.20 0.00 -1.03 0.00 0.00 54.13 56.17 3kwx s LEU 176 Cb -0.14 -3.66 0.07 0.00 0.03 0.00 0.00 46.19 42.49 3kwx s LEU 176 CO 0.17 -0.84 1.57 -0.62 0.23 0.00 0.00 176.35 176.86 3kwx s ASP 177 N -0.14 6.71 0.00 2.29 -1.08 0.20 -4.51 116.67 120.14 3kwx s ASP 177 Ca 0.53 -2.06 0.01 0.00 -0.52 0.00 0.00 52.55 50.51 3kwx s ASP 177 Cb -0.46 -2.56 0.07 0.00 -1.46 0.00 0.00 42.92 38.52 3kwx s ASP 177 CO 0.61 -1.27 0.77 0.35 0.52 0.00 0.00 175.17 176.15 3kwx n THR 178 N 6.44 0.00 0.41 1.71 -2.24 -1.26 -1.83 114.28 117.50 3kwx n THR 178 Ca 0.41 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.30 3kwx n THR 178 Cb 0.48 -0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.51 3kwx n THR 178 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3kwx n THR 179 N -0.53 0.20 -2.49 4.28 -2.24 -1.26 -4.74 114.28 107.50 3kwx n THR 179 Ca 0.01 -0.33 -0.41 0.00 -2.27 0.00 0.00 64.05 61.05 3kwx n THR 179 Cb 0.00 0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.32 3kwx n THR 179 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3kwx s LYS 180 N -3.28 4.61 0.31 -0.78 1.02 -0.76 -4.94 119.74 115.92 3kwx s LYS 180 Ca 0.01 1.77 0.02 0.00 0.02 0.00 0.00 55.97 57.79 3kwx s LYS 180 Cb 0.14 -3.24 0.52 0.00 -0.52 0.00 0.00 37.83 34.73 3kwx s LYS 180 CO 0.83 0.12 1.85 -0.44 -0.92 0.00 0.00 175.35 176.79 3kwx h ASP 181 N 4.58 0.61 0.15 2.83 3.32 -1.92 -1.70 116.42 124.28 3kwx h ASP 181 Ca -0.45 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.39 3kwx h ASP 181 Cb 1.21 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 3kwx h ASP 181 CO 0.70 0.64 -0.34 1.62 -1.72 0.00 0.00 179.24 180.15 3kwx h VAL 182 N 0.62 1.28 -0.08 -1.35 3.04 -1.95 -0.98 116.25 116.83 3kwx h VAL 182 Ca 0.14 -1.35 -0.11 0.00 -1.01 0.00 0.00 66.70 64.36 3kwx h VAL 182 Cb 0.32 1.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 3kwx h VAL 182 CO 0.01 0.41 -0.39 0.58 -1.01 0.00 0.00 177.57 177.17 3kwx h VAL 183 N 0.24 1.40 -0.12 1.51 2.07 -1.73 -2.29 116.25 117.33 3kwx h VAL 183 Ca 0.03 -1.76 0.04 0.00 0.82 0.00 0.00 66.70 65.83 3kwx h VAL 183 Cb 0.72 2.27 -0.04 0.00 -1.52 0.00 0.00 31.29 32.71 3kwx h VAL 183 CO 0.05 0.52 -0.12 0.11 0.02 0.00 0.00 177.57 178.14 3kwx h LYS 184 N -0.04 -0.15 -0.65 1.57 1.57 -1.21 -0.81 116.57 116.84 3kwx h LYS 184 Ca -0.02 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 3kwx h LYS 184 Cb 1.04 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.35 3kwx h LYS 184 CO 0.08 -0.10 0.09 -0.91 -0.57 0.00 0.00 179.45 178.05 3kwx h ASN 185 N -0.15 1.04 0.23 0.86 2.35 -1.22 0.34 115.58 119.03 3kwx h ASN 185 Ca 0.09 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 3kwx h ASN 185 Cb 0.28 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3kwx h ASN 185 CO -0.21 1.04 -0.11 -0.08 -1.65 0.00 0.00 177.43 176.42 3kwx h GLU 186 N 1.01 -0.30 -0.45 0.81 4.57 -1.25 -0.47 114.58 118.50 3kwx h GLU 186 Ca 0.20 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.39 3kwx h GLU 186 Cb 0.45 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 3kwx h GLU 186 CO 0.01 -0.19 0.23 -1.49 -1.18 0.00 0.00 179.01 176.40 3kwx h TRP 187 N -0.33 0.63 -0.51 0.92 -0.00 -0.81 -0.37 115.95 115.49 3kwx h TRP 187 Ca -0.03 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 58.83 3kwx h TRP 187 Cb 0.25 -0.20 -0.02 0.00 -0.00 0.00 0.00 29.16 29.19 3kwx h TRP 187 CO -0.06 0.49 0.29 1.88 -0.00 0.00 0.00 178.44 181.04 3kwx h TYR 188 N 0.59 0.68 -0.47 0.49 0.05 -0.26 -0.12 116.97 117.93 3kwx h TYR 188 Ca 0.16 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.88 3kwx h TYR 188 Cb 0.08 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 3kwx h TYR 188 CO -0.02 0.49 0.11 -0.44 -1.05 0.00 0.00 178.16 177.26 3kwx h ASP 189 N 0.68 0.72 -0.29 3.88 3.32 -0.91 -2.94 116.42 120.88 3kwx h ASP 189 Ca 0.18 -0.24 0.03 0.00 0.02 0.00 0.00 57.03 57.02 3kwx h ASP 189 Cb 0.02 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 3kwx h ASP 189 CO -0.03 0.77 0.12 -0.25 -1.72 0.00 0.00 179.24 178.12 3kwx h TRP 190 N 0.64 0.21 -0.32 4.55 7.01 -0.73 -2.32 115.95 125.00 3kwx h TRP 190 Ca 0.15 0.01 -0.11 0.00 2.11 0.00 0.00 58.89 61.05 3kwx h TRP 190 Cb 0.33 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 3kwx h TRP 190 CO 0.02 0.11 -0.27 -0.24 -2.79 0.00 0.00 178.44 175.27 3kwx h VAL 191 N 0.26 1.27 -0.67 2.65 3.04 -0.96 0.18 116.25 122.02 3kwx h VAL 191 Ca 0.12 -1.36 -0.06 0.00 -1.01 0.00 0.00 66.70 64.39 3kwx h VAL 191 Cb 0.07 1.32 -0.03 0.00 -2.01 0.00 0.00 31.29 30.64 3kwx h VAL 191 CO -0.11 0.44 0.20 1.23 -1.01 0.00 0.00 177.57 178.32 3kwx h GLY 192 N 1.00 1.12 0.99 3.17 0.00 -1.48 -2.23 103.07 105.64 3kwx h GLY 192 Ca 0.07 -0.68 -0.06 0.00 0.00 0.00 0.00 47.33 46.67 3kwx h GLY 192 CO 0.06 0.63 0.08 1.76 0.00 0.00 0.00 176.54 179.07 3kwx h SER 193 N 0.98 0.80 -0.11 0.19 0.02 -0.80 -1.93 113.55 112.70 3kwx h SER 193 Ca 0.21 -0.26 0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3kwx h SER 193 Cb 0.32 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3kwx h SER 193 CO -0.00 0.86 -0.00 0.25 -1.14 0.00 0.00 176.83 176.79 3kwx h LEU 194 N 0.72 -0.04 -0.87 5.07 5.85 -0.57 0.96 115.31 126.43 3kwx h LEU 194 Ca 0.15 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 3kwx h LEU 194 Cb 0.40 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 3kwx h LEU 194 CO 0.01 -0.01 0.29 0.58 -0.34 0.00 0.00 178.44 178.98 3kwx h VAL 195 N 0.03 1.25 -0.03 1.05 2.07 -1.32 -2.68 116.25 116.64 3kwx h VAL 195 Ca 0.05 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 3kwx h VAL 195 Cb 0.06 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3kwx h VAL 195 CO -0.08 0.33 -0.26 0.77 0.02 0.00 0.00 177.57 178.34 3kwx h SER 196 N 1.10 0.28 -0.91 0.57 4.64 -1.13 -1.15 113.55 116.95 3kwx h SER 196 Ca 0.25 -0.70 0.19 0.00 -0.47 0.00 0.00 61.79 61.05 3kwx h SER 196 Cb 0.22 -0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 62.15 3kwx h SER 196 CO -0.02 0.94 0.59 0.78 -0.87 0.00 0.00 176.83 178.25 3kwx h ASN 197 N -0.36 0.53 -0.08 4.97 4.21 -0.71 -2.92 115.58 121.21 3kwx h ASN 197 Ca -0.02 0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.54 3kwx h ASN 197 Cb 0.96 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.11 3kwx h ASN 197 CO 0.05 0.22 0.00 -1.22 -1.29 0.00 0.00 177.43 175.19 3kwx n TYR 198 N -4.56 0.13 -3.70 1.19 4.01 -1.02 -4.93 117.16 108.28 3kwx n TYR 198 Ca 0.19 -0.58 -0.25 0.00 -0.16 0.00 0.00 57.90 57.11 3kwx n TYR 198 Cb 0.62 -0.07 0.03 0.00 -0.31 0.00 0.00 39.34 39.61 3kwx n TYR 198 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3kwx n SER 199 N -0.43 -2.76 -4.72 7.72 7.64 -0.52 -4.78 113.62 115.77 3kwx n SER 199 Ca 0.05 -0.90 -0.40 0.00 1.01 0.00 0.00 58.87 58.63 3kwx n SER 199 Cb 0.36 -3.77 -0.04 0.00 -1.01 0.00 0.00 64.21 59.75 3kwx n SER 199 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3kwx s ILE 200 N -3.64 5.03 -0.23 0.44 1.01 -0.68 -4.83 121.20 118.31 3kwx s ILE 200 Ca 0.19 1.51 0.19 0.00 0.00 0.00 0.00 60.65 62.54 3kwx s ILE 200 Cb -0.06 -4.07 0.04 0.00 0.01 0.00 0.00 42.46 38.39 3kwx s ILE 200 CO 0.83 0.24 1.18 0.44 0.00 0.00 0.00 174.94 177.64 3kwx h ASP 201 N 6.76 0.00 -4.92 3.58 3.32 -1.57 -3.41 116.42 120.18 3kwx h ASP 201 Ca -0.41 0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.70 3kwx h ASP 201 Cb 1.20 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.63 3kwx h ASP 201 CO 0.75 0.26 0.35 -0.83 -1.72 0.00 0.00 179.24 178.06 3kwx s GLY 202 N -4.47 -0.45 -0.02 2.75 0.00 -1.08 -1.85 107.32 102.21 3kwx s GLY 202 Ca 0.01 0.53 0.06 0.00 0.00 0.00 0.00 44.72 45.32 3kwx s GLY 202 CO 0.76 0.17 -0.19 1.08 0.00 0.00 0.00 173.10 174.92 3kwx s LEU 203 N -2.70 2.02 -0.29 0.66 1.43 -0.21 -1.54 118.68 118.04 3kwx s LEU 203 Ca 0.05 -0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 52.71 3kwx s LEU 203 Cb -0.02 -1.02 -0.01 0.00 0.03 0.00 0.00 46.19 45.17 3kwx s LEU 203 CO -0.07 0.23 0.12 -0.60 0.23 0.00 0.00 176.35 176.25 3kwx s ARG 204 N -0.36 3.41 -0.31 1.70 3.00 -0.64 -1.07 118.95 124.69 3kwx s ARG 204 Ca 0.05 -0.66 -0.14 0.00 -1.00 0.00 0.00 55.73 53.98 3kwx s ARG 204 Cb -0.09 -3.46 -0.03 0.00 0.00 0.00 0.00 34.95 31.37 3kwx s ARG 204 CO -0.00 -0.35 0.31 0.42 0.00 0.00 0.00 175.30 175.68 3kwx s ILE 205 N 1.60 5.22 0.68 4.11 1.01 0.03 -1.20 121.20 132.66 3kwx s ILE 205 Ca 0.05 0.19 -0.13 0.00 0.00 0.00 0.00 60.65 60.76 3kwx s ILE 205 Cb -0.16 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.62 3kwx s ILE 205 CO 0.05 0.07 1.09 -0.62 0.00 0.00 0.00 174.94 175.53 3kwx s ASP 206 N 1.71 5.11 -1.79 3.58 2.15 -0.60 -0.53 116.67 126.30 3kwx s ASP 206 Ca 0.11 1.85 -0.19 0.00 0.43 0.00 0.00 52.55 54.74 3kwx s ASP 206 Cb -0.16 -2.53 0.19 0.00 -0.30 0.00 0.00 42.92 40.11 3kwx s ASP 206 CO 0.11 -1.63 0.56 0.35 -0.17 0.00 0.00 175.17 174.39 3kwx n THR 207 N -2.78 -0.44 -0.30 1.71 -2.24 -1.25 -4.68 114.28 104.29 3kwx n THR 207 Ca 0.09 -0.08 -0.01 0.00 -2.27 0.00 0.00 64.05 61.78 3kwx n THR 207 Cb 0.53 -0.88 0.12 0.00 -2.10 0.00 0.00 70.33 67.99 3kwx n THR 207 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3kwx h VAL 208 N -1.15 1.09 0.00 2.28 2.07 -1.60 -1.78 116.25 117.16 3kwx h VAL 208 Ca -0.61 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.57 3kwx h VAL 208 Cb 1.39 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3kwx h VAL 208 CO 0.84 0.18 0.00 0.07 0.02 0.00 0.00 177.57 178.68 3kwx h LYS 209 N 1.00 0.00 -0.11 1.57 2.10 -1.89 -2.04 116.57 117.20 3kwx h LYS 209 Ca 0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 3kwx h LYS 209 Cb 0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 3kwx h LYS 209 CO -0.14 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.03 3kwx n HIS 210 N -2.45 0.13 -5.09 0.07 8.25 -0.67 -4.52 115.22 110.94 3kwx n HIS 210 Ca -0.00 -0.07 -0.29 0.00 -0.26 0.00 0.00 57.72 57.10 3kwx n HIS 210 Cb 0.12 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.07 3kwx n HIS 210 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kwx s VAL 211 N -1.87 1.80 0.54 1.59 1.01 -0.77 -4.26 120.40 118.44 3kwx s VAL 211 Ca 0.32 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 3kwx s VAL 211 Cb 0.17 -1.54 -0.06 0.00 0.00 0.00 0.00 36.38 34.95 3kwx s VAL 211 CO 0.26 0.51 1.17 0.00 0.00 0.00 0.00 175.10 177.03 3kwx n GLN 212 N 3.10 1.38 -0.00 2.72 0.00 -1.26 -4.87 117.38 118.44 3kwx n GLN 212 Ca -0.18 0.51 0.02 0.00 0.00 0.00 0.00 57.00 57.35 3kwx n GLN 212 Cb 0.52 -2.34 0.36 0.00 0.00 0.00 0.00 30.24 28.78 3kwx n GLN 212 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 3kwx h LYS 213 N 1.16 0.54 0.00 2.61 1.57 -1.96 -2.58 116.57 117.92 3kwx h LYS 213 Ca -0.49 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 3kwx h LYS 213 Cb 1.33 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.54 3kwx h LYS 213 CO 0.55 0.46 0.00 -0.40 -0.57 0.00 0.00 179.45 179.49 3kwx n ASP 214 N -4.37 0.00 0.06 0.86 5.68 -1.26 -1.41 116.55 116.11 3kwx n ASP 214 Ca 0.02 -0.26 -0.10 0.00 -0.50 0.00 0.00 54.79 53.95 3kwx n ASP 214 Cb 0.15 -0.12 -0.13 0.00 -1.14 0.00 0.00 41.12 39.88 3kwx n ASP 214 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3kwx h PHE 215 N 0.00 0.17 -0.10 2.11 3.04 -1.78 -3.41 116.94 116.97 3kwx h PHE 215 Ca 0.00 -0.13 -0.24 0.00 3.98 0.00 0.00 57.97 61.59 3kwx h PHE 215 Cb 0.06 -0.01 0.01 0.00 2.56 0.00 0.00 35.95 38.58 3kwx h PHE 215 CO 0.00 1.11 -0.86 -1.49 -2.02 0.00 0.00 178.31 175.05 3kwx h TRP 216 N 0.03 1.03 -0.62 0.41 4.06 -1.42 -2.93 115.95 116.52 3kwx h TRP 216 Ca -0.09 -0.49 0.01 0.00 2.06 0.00 0.00 58.89 60.38 3kwx h TRP 216 Cb 1.87 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 29.85 3kwx h TRP 216 CO 0.02 1.32 0.40 -1.35 -3.56 0.00 0.00 178.44 175.28 3kwx h PRO 217 N 0.48 0.80 -0.54 0.49 0.11 -1.70 0.20 132.00 131.83 3kwx h PRO 217 Ca -0.07 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.96 3kwx h PRO 217 Cb 1.49 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.40 3kwx h PRO 217 CO 0.17 0.53 0.22 0.78 -0.21 0.00 0.00 178.00 179.49 3kwx h GLY 218 N 0.82 0.83 0.60 -0.55 0.00 -1.82 0.37 103.07 103.32 3kwx h GLY 218 Ca 0.23 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 3kwx h GLY 218 CO -0.06 0.39 -0.04 -1.82 0.00 0.00 0.00 176.54 175.01 3kwx h TYR 219 N 0.77 0.13 -0.76 5.60 5.03 -1.13 -0.78 116.97 125.83 3kwx h TYR 219 Ca 0.19 -0.04 0.05 0.00 2.58 0.00 0.00 58.73 61.51 3kwx h TYR 219 Cb 0.14 -0.03 -0.05 0.00 1.55 0.00 0.00 36.73 38.34 3kwx h TYR 219 CO 0.01 0.55 0.47 -0.97 -1.32 0.00 0.00 178.16 176.90 3kwx h ASN 220 N -0.33 0.74 -0.30 -2.11 -0.73 -0.43 -0.94 115.58 111.48 3kwx h ASN 220 Ca 0.01 0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.15 3kwx h ASN 220 Cb 0.53 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.97 3kwx h ASN 220 CO 0.01 0.49 0.03 0.50 -0.37 0.00 0.00 177.43 178.09 3kwx h LYS 221 N 0.87 0.51 -0.99 6.67 3.64 -0.87 -2.66 116.57 123.74 3kwx h LYS 221 Ca 0.33 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 3kwx h LYS 221 Cb 0.12 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.83 3kwx h LYS 221 CO -0.15 0.63 0.65 0.00 -2.27 0.00 0.00 179.45 178.31 3kwx h ALA 222 N 0.86 1.30 -0.75 5.00 0.00 -0.69 -2.02 119.26 122.96 3kwx h ALA 222 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kwx h ALA 222 Cb 0.38 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3kwx h ALA 222 CO 0.01 0.57 0.45 0.00 0.00 0.00 0.00 179.25 180.28 3kwx h ALA 223 N 1.39 1.37 -0.31 0.00 0.00 -0.94 -3.34 119.26 117.43 3kwx h ALA 223 Ca 0.39 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 3kwx h ALA 223 Cb -0.04 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.39 3kwx h ALA 223 CO -0.11 0.54 -0.12 0.41 0.00 0.00 0.00 179.25 179.96 3kwx n GLY 224 N -1.29 0.88 3.30 0.00 0.00 -0.76 -4.76 105.19 102.56 3kwx n GLY 224 Ca 0.08 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 3kwx n GLY 224 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kwx s VAL 225 N -2.19 0.01 0.09 1.61 -7.23 -1.26 -4.64 120.40 106.80 3kwx s VAL 225 Ca 0.00 -1.81 -0.34 0.00 -1.81 0.00 0.00 61.98 58.02 3kwx s VAL 225 Cb 0.00 -2.34 -0.13 0.00 0.56 0.00 0.00 36.38 34.46 3kwx s VAL 225 CO 0.00 -0.06 1.66 0.00 -0.31 0.00 0.00 175.10 176.39 3kwx n TYR 226 N -0.28 2.28 -5.19 2.82 9.36 -0.59 -4.86 117.16 120.70 3kwx n TYR 226 Ca -0.00 0.20 -0.32 0.00 3.32 0.00 0.00 57.90 61.10 3kwx n TYR 226 Cb 0.65 -2.57 -0.16 0.00 -0.63 0.00 0.00 39.34 36.62 3kwx n TYR 226 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3kwx s ILE 228 N 0.15 1.94 -0.04 0.00 2.07 -0.23 -1.36 121.20 123.73 3kwx s ILE 228 Ca -0.12 -0.92 -0.05 0.00 -1.41 0.00 0.00 60.65 58.15 3kwx s ILE 228 Cb -0.16 -1.71 -0.04 0.00 0.13 0.00 0.00 42.46 40.67 3kwx s ILE 228 CO 0.07 0.53 0.19 -0.83 -1.91 0.00 0.00 174.94 172.99 3kwx s GLY 229 N 0.73 2.19 -0.61 1.50 0.00 0.66 -0.79 107.32 111.00 3kwx s GLY 229 Ca -0.10 -0.68 -0.26 0.00 0.00 0.00 0.00 44.72 43.68 3kwx s GLY 229 CO 0.01 -0.51 1.10 1.85 0.00 0.00 0.00 173.10 175.55 3kwx s GLU 230 N -1.63 3.34 -0.40 2.90 2.12 0.31 -0.34 118.70 124.99 3kwx s GLU 230 Ca 0.24 -0.15 -0.03 0.00 0.36 0.00 0.00 54.97 55.38 3kwx s GLU 230 Cb -0.13 -4.09 0.10 0.00 0.26 0.00 0.00 34.13 30.28 3kwx s GLU 230 CO 0.14 -1.74 0.19 0.08 -0.54 0.00 0.00 175.26 173.39 3kwx s VAL 231 N 4.69 3.36 -1.30 3.70 1.01 -1.26 -2.06 120.40 128.54 3kwx s VAL 231 Ca 0.35 -1.92 -0.15 0.00 0.00 0.00 0.00 61.98 60.25 3kwx s VAL 231 Cb -0.10 -3.24 0.11 0.00 0.00 0.00 0.00 36.38 33.14 3kwx s VAL 231 CO 0.19 -0.61 1.74 -0.11 0.00 0.00 0.00 175.10 176.31 3kwx n LEU 232 N 4.63 5.52 -3.64 3.92 7.94 -1.26 -4.73 117.00 129.38 3kwx n LEU 232 Ca -0.04 -4.20 -0.05 0.00 -1.11 0.00 0.00 56.01 50.61 3kwx n LEU 232 Cb 0.42 -1.67 -0.07 0.00 0.53 0.00 0.00 43.42 42.63 3kwx n LEU 232 CO 0.33 0.61 0.40 -0.62 -1.11 0.00 0.00 177.39 177.00 3kwx s ASP 233 N 3.28 -0.89 0.00 1.96 -1.08 -1.26 -5.06 116.67 113.62 3kwx s ASP 233 Ca 0.48 1.40 0.31 0.00 -0.52 0.00 0.00 52.55 54.21 3kwx s ASP 233 Cb 0.04 1.46 1.66 0.00 -1.46 0.00 0.00 42.92 44.62 3kwx s ASP 233 CO 0.02 -0.22 2.11 0.61 0.52 0.00 0.00 175.17 178.22 3kwx n GLY 234 N 4.34 -1.15 3.61 2.66 0.00 -1.26 -4.25 105.19 109.14 3kwx n GLY 234 Ca -0.19 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 3kwx n GLY 234 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kwx s ASP 235 N -2.34 6.58 0.57 1.61 -1.08 -1.26 -4.13 116.67 116.62 3kwx s ASP 235 Ca 0.36 0.56 0.25 0.00 -0.52 0.00 0.00 52.55 53.20 3kwx s ASP 235 Cb 0.21 -2.37 1.60 0.00 -1.46 0.00 0.00 42.92 40.90 3kwx s ASP 235 CO 0.42 -0.53 2.18 -0.65 0.52 0.00 0.00 175.17 177.11 3kwx h PRO 236 N 8.12 0.00 0.00 4.34 0.11 -1.93 -0.62 132.00 142.02 3kwx h PRO 236 Ca -0.26 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 3kwx h PRO 236 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3kwx h PRO 236 CO 0.84 0.00 -0.15 0.00 -0.21 0.00 0.00 178.00 178.47 3kwx h ALA 237 N 1.94 0.95 0.10 -0.75 0.00 -1.97 -1.62 119.26 117.91 3kwx h ALA 237 Ca 0.03 -0.14 -0.37 0.00 0.00 0.00 0.00 54.91 54.44 3kwx h ALA 237 Cb 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3kwx h ALA 237 CO -0.00 0.19 -2.05 0.98 0.00 0.00 0.00 179.25 178.36 3kwx n TYR 238 N -3.21 1.04 -0.05 0.00 4.19 -0.47 -4.61 117.16 114.05 3kwx n TYR 238 Ca 0.02 0.23 -0.21 0.00 3.31 0.00 0.00 57.90 61.24 3kwx n TYR 238 Cb 0.48 -1.13 -0.13 0.00 0.49 0.00 0.00 39.34 39.04 3kwx n TYR 238 CO 0.00 0.00 0.00 1.15 0.91 0.00 0.00 176.86 178.92 3kwx h THR 239 N 0.01 0.86 -1.00 2.97 2.02 -1.14 -3.38 112.91 113.25 3kwx h THR 239 Ca -0.45 -2.27 0.06 0.00 0.77 0.00 0.00 66.41 64.52 3kwx h THR 239 Cb 1.98 2.43 -0.07 0.00 -1.74 0.00 0.00 68.15 70.75 3kwx h THR 239 CO 0.04 0.58 0.65 0.00 0.37 0.00 0.00 175.52 177.16 3kwx h PRO 241 N 1.18 0.00 0.00 0.00 0.11 -1.76 0.29 132.00 131.82 3kwx h PRO 241 Ca 0.43 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.54 3kwx h PRO 241 Cb 0.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.26 3kwx h PRO 241 CO -0.17 0.00 -0.00 1.88 -0.21 0.00 0.00 178.00 179.50 3kwx h TYR 242 N 0.00 0.00 0.00 0.65 0.05 -1.57 0.20 116.97 116.29 3kwx h TYR 242 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.97 3kwx h TYR 242 Cb 0.95 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.69 3kwx h TYR 242 CO 0.00 0.00 0.00 0.94 -1.05 0.00 0.00 178.16 178.05 3kwx n GLN 243 N -3.19 0.05 0.20 4.88 7.27 0.10 -1.77 117.38 124.92 3kwx n GLN 243 Ca -0.03 0.17 0.14 0.00 0.07 0.00 0.00 57.00 57.35 3kwx n GLN 243 Cb 0.08 -1.50 0.42 0.00 2.41 0.00 0.00 30.24 31.65 3kwx n GLN 243 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 3kwx h ASN 244 N 0.00 0.00 -0.02 1.69 2.35 -0.74 -3.31 115.58 115.55 3kwx h ASN 244 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kwx h ASN 244 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3kwx h ASN 244 CO 0.00 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 177.11 3kwx n VAL 245 N -2.77 0.23 -3.64 2.81 0.24 -0.73 -5.02 118.33 109.45 3kwx n VAL 245 Ca 0.03 -0.61 -0.15 0.00 -2.04 0.00 0.00 64.34 61.56 3kwx n VAL 245 Cb 0.39 0.93 -0.08 0.00 -1.47 0.00 0.00 33.84 33.62 3kwx n VAL 245 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 3kwx s MET 246 N -0.39 0.82 0.18 7.34 -2.45 -1.01 -2.91 119.30 120.88 3kwx s MET 246 Ca 0.04 0.30 -0.14 0.00 -1.25 0.00 0.00 55.69 54.64 3kwx s MET 246 Cb 0.02 0.38 0.14 0.00 1.25 0.00 0.00 34.83 36.63 3kwx s MET 246 CO 0.03 -0.21 1.74 -0.44 1.05 0.00 0.00 175.02 177.20 3kwx h ASP 247 N 3.97 0.12 -5.38 1.11 3.32 -1.81 -3.39 116.42 114.37 3kwx h ASP 247 Ca -0.28 0.06 -0.14 0.00 0.02 0.00 0.00 57.03 56.69 3kwx h ASP 247 Cb 1.16 0.06 -0.12 0.00 0.22 0.00 0.00 39.33 40.64 3kwx h ASP 247 CO 0.31 0.10 -0.38 -0.83 -1.72 0.00 0.00 179.24 176.73 3kwx s GLY 248 N -2.90 0.85 0.17 2.75 0.00 -0.46 -4.88 107.32 102.85 3kwx s GLY 248 Ca -0.13 -1.19 0.04 0.00 0.00 0.00 0.00 44.72 43.44 3kwx s GLY 248 CO 0.72 -0.99 -0.07 -1.34 0.00 0.00 0.00 173.10 171.42 3kwx s VAL 249 N -4.05 1.11 0.37 1.40 -7.23 -1.26 -0.25 120.40 110.49 3kwx s VAL 249 Ca 0.27 -2.05 -0.26 0.00 -1.81 0.00 0.00 61.98 58.12 3kwx s VAL 249 Cb 0.04 -1.97 -0.09 0.00 0.56 0.00 0.00 36.38 34.91 3kwx s VAL 249 CO 0.07 -0.64 1.14 -0.76 -0.31 0.00 0.00 175.10 174.61 3kwx s LEU 250 N -3.20 4.29 -1.46 1.32 1.43 0.54 -2.43 118.68 119.16 3kwx s LEU 250 Ca 0.20 2.31 -0.11 0.00 -1.03 0.00 0.00 54.13 55.49 3kwx s LEU 250 Cb 0.03 -3.92 0.03 0.00 0.03 0.00 0.00 46.19 42.36 3kwx s LEU 250 CO 0.03 -0.51 2.41 -3.20 0.23 0.00 0.00 176.35 175.31 3kwx n ASN 251 N 0.37 6.05 0.08 2.29 2.85 0.10 -4.66 115.26 122.34 3kwx n ASN 251 Ca 0.03 -2.84 0.04 0.00 -0.11 0.00 0.00 54.58 51.70 3kwx n ASN 251 Cb 0.46 -1.56 0.46 0.00 1.24 0.00 0.00 39.78 40.38 3kwx n ASN 251 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 3kwx h TYR 252 N 5.49 0.36 -0.46 1.20 0.05 -1.85 -1.88 116.97 119.89 3kwx h TYR 252 Ca 0.65 -0.00 0.02 0.00 0.05 0.00 0.00 58.73 59.45 3kwx h TYR 252 Cb 0.49 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.08 3kwx h TYR 252 CO 1.57 0.27 0.27 -1.35 -1.05 0.00 0.00 178.16 177.87 3kwx h PRO 253 N 0.38 0.52 -0.08 4.88 0.11 -1.74 -2.29 132.00 133.77 3kwx h PRO 253 Ca 0.10 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.08 3kwx h PRO 253 Cb 0.04 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 3kwx h PRO 253 CO -0.01 0.34 -0.39 0.82 -0.21 0.00 0.00 178.00 178.54 3kwx h ILE 254 N 0.53 1.30 -0.24 4.15 1.08 -1.83 -3.33 117.51 119.18 3kwx h ILE 254 Ca 0.19 -1.45 0.05 0.00 -0.39 0.00 0.00 64.86 63.26 3kwx h ILE 254 Cb 0.03 1.68 -0.05 0.00 -3.07 0.00 0.00 36.82 35.40 3kwx h ILE 254 CO -0.09 0.43 -0.11 0.22 -0.69 0.00 0.00 178.15 177.90 3kwx h TYR 255 N 0.15 -0.27 0.20 1.37 3.20 -0.74 0.77 116.97 121.65 3kwx h TYR 255 Ca 0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3kwx h TYR 255 Cb 0.77 0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.20 3kwx h TYR 255 CO 0.01 -0.17 -0.10 1.88 -1.64 0.00 0.00 178.16 178.14 3kwx h TYR 256 N -0.08 -0.25 -0.30 -3.82 0.05 -1.66 -0.74 116.97 110.17 3kwx h TYR 256 Ca 0.13 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.85 3kwx h TYR 256 Cb 0.27 0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.08 3kwx h TYR 256 CO -0.29 -0.05 -0.05 -1.35 -1.05 0.00 0.00 178.16 175.38 3kwx h PRO 257 N -0.41 0.47 0.02 4.88 0.11 -1.71 -1.41 132.00 133.95 3kwx h PRO 257 Ca -0.03 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 65.97 3kwx h PRO 257 Cb 0.31 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.36 3kwx h PRO 257 CO 0.04 0.54 -0.01 1.25 -0.21 0.00 0.00 178.00 179.62 3kwx h LEU 258 N 0.45 -0.02 0.02 2.35 5.85 -0.59 0.20 115.31 123.57 3kwx h LEU 258 Ca 0.09 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3kwx h LEU 258 Cb 0.38 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3kwx h LEU 258 CO 0.02 0.08 -0.09 0.25 -0.34 0.00 0.00 178.44 178.36 3kwx h LEU 259 N -0.12 -0.24 -0.72 2.25 5.85 -0.92 -2.68 115.31 118.74 3kwx h LEU 259 Ca -0.00 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3kwx h LEU 259 Cb 0.11 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3kwx h LEU 259 CO 0.00 -0.13 0.42 0.78 -0.34 0.00 0.00 178.44 179.18 3kwx h ASN 260 N -0.16 0.87 -0.84 1.25 2.35 -1.13 0.12 115.58 118.06 3kwx h ASN 260 Ca 0.03 -0.07 0.13 0.00 -0.55 0.00 0.00 56.30 55.83 3kwx h ASN 260 Cb 0.19 -0.22 -0.09 0.00 0.05 0.00 0.00 38.32 38.25 3kwx h ASN 260 CO -0.07 0.69 0.44 0.00 -1.65 0.00 0.00 177.43 176.84 3kwx h ALA 261 N 1.22 1.23 -0.01 -0.83 0.00 -0.35 -3.15 119.26 117.38 3kwx h ALA 261 Ca 0.26 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3kwx h ALA 261 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kwx h ALA 261 CO -0.05 -0.03 -0.19 1.19 0.00 0.00 0.00 179.25 180.17 3kwx n PHE 262 N -4.83 0.00 0.39 0.00 3.72 -1.02 -4.20 117.46 111.52 3kwx n PHE 262 Ca 0.16 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.68 3kwx n PHE 262 Cb 0.38 0.00 0.32 0.00 -0.94 0.00 0.00 39.48 39.23 3kwx n PHE 262 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 3kwx h LYS 263 N 1.98 0.00 -4.20 -1.08 2.10 -0.93 -3.45 116.57 110.99 3kwx h LYS 263 Ca 0.00 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.50 3kwx h LYS 263 Cb 0.52 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 31.71 3kwx h LYS 263 CO 0.00 0.00 -0.48 -1.54 -2.00 0.00 0.00 179.45 175.43 3kwx s SER 264 N -5.42 0.15 0.23 7.07 1.04 -1.26 -4.51 113.70 111.01 3kwx s SER 264 Ca 0.08 -1.09 0.21 0.00 0.48 0.00 0.00 55.95 55.62 3kwx s SER 264 Cb 0.08 0.38 0.94 0.00 0.10 0.00 0.00 66.02 67.52 3kwx s SER 264 CO 0.62 -0.84 1.63 0.35 0.98 0.00 0.00 173.24 175.98 3kwx n THR 265 N -0.19 0.98 -1.18 2.02 -2.24 -1.26 -2.64 114.28 109.77 3kwx n THR 265 Ca -0.05 0.39 0.01 0.00 -2.27 0.00 0.00 64.05 62.14 3kwx n THR 265 Cb 0.64 -1.33 0.24 0.00 -2.10 0.00 0.00 70.33 67.78 3kwx n THR 265 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3kwx n SER 266 N -2.12 3.43 -4.82 3.42 3.41 -1.26 -4.82 113.62 110.86 3kwx n SER 266 Ca 0.01 -3.34 -0.33 0.00 -0.26 0.00 0.00 58.87 54.95 3kwx n SER 266 Cb 0.15 -0.61 -0.06 0.00 -0.26 0.00 0.00 64.21 63.43 3kwx n SER 266 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3kwx s GLY 267 N -2.06 2.35 -0.57 5.00 0.00 -1.08 -4.97 107.32 105.99 3kwx s GLY 267 Ca 0.45 0.38 -0.28 0.00 0.00 0.00 0.00 44.72 45.27 3kwx s GLY 267 CO 0.06 0.66 1.40 -0.45 0.00 0.00 0.00 173.10 174.77 3kwx s SER 268 N -2.28 6.14 0.53 1.64 0.15 -1.26 -4.80 113.70 113.82 3kwx s SER 268 Ca 0.62 0.25 0.31 0.00 0.70 0.00 0.00 55.95 57.83 3kwx s SER 268 Cb -0.09 -2.55 1.34 0.00 -1.71 0.00 0.00 66.02 63.00 3kwx s SER 268 CO 0.16 -1.70 1.98 0.24 1.20 0.00 0.00 173.24 175.11 3kwx h MET 269 N 10.97 0.00 0.26 5.44 2.86 -1.83 -3.27 114.93 129.36 3kwx h MET 269 Ca -0.27 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 3kwx h MET 269 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.75 3kwx h MET 269 CO 1.18 0.07 -0.13 -0.44 1.06 0.00 0.00 176.91 178.66 3kwx h ASP 270 N 0.00 -0.30 -0.74 1.22 5.19 -1.88 -1.80 116.42 118.11 3kwx h ASP 270 Ca -0.00 -0.17 0.12 0.00 -0.62 0.00 0.00 57.03 56.36 3kwx h ASP 270 Cb 0.52 0.08 -0.08 0.00 0.18 0.00 0.00 39.33 40.02 3kwx h ASP 270 CO 0.01 0.02 0.33 0.44 -3.12 0.00 0.00 179.24 176.93 3kwx h ASP 271 N -0.64 0.38 0.23 6.45 3.32 -1.96 -0.12 116.42 124.08 3kwx h ASP 271 Ca -0.04 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3kwx h ASP 271 Cb 0.45 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3kwx h ASP 271 CO 0.06 0.18 -0.11 0.25 -1.72 0.00 0.00 179.24 177.90 3kwx h LEU 272 N 0.53 -0.26 -0.42 1.55 5.85 -1.60 -0.55 115.31 120.41 3kwx h LEU 272 Ca 0.39 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 59.10 3kwx h LEU 272 Cb 0.52 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.54 3kwx h LEU 272 CO -0.34 -0.07 -0.08 0.22 -0.34 0.00 0.00 178.44 177.83 3kwx h TYR 273 N -0.44 -0.17 -0.52 1.25 5.03 -0.94 -0.93 116.97 120.24 3kwx h TYR 273 Ca -0.03 0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.28 3kwx h TYR 273 Cb 0.33 0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.73 3kwx h TYR 273 CO -0.02 -0.16 0.18 -0.91 -1.32 0.00 0.00 178.16 175.92 3kwx h ASN 274 N 0.03 0.75 -0.49 -2.11 2.35 -0.95 -2.97 115.58 112.19 3kwx h ASN 274 Ca 0.20 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 3kwx h ASN 274 Cb 0.31 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 3kwx h ASN 274 CO -0.41 0.75 0.12 -0.03 -1.65 0.00 0.00 177.43 176.21 3kwx h MET 275 N 0.72 0.85 -0.94 0.81 4.05 -0.43 0.18 114.93 120.17 3kwx h MET 275 Ca 0.17 -0.18 0.07 0.00 -0.28 0.00 0.00 59.70 59.48 3kwx h MET 275 Cb 0.26 -0.12 -0.07 0.00 -0.80 0.00 0.00 31.60 30.87 3kwx h MET 275 CO -0.01 0.78 0.59 0.82 0.23 0.00 0.00 176.91 179.32 3kwx h ILE 276 N 0.82 1.04 -0.01 1.77 2.04 -1.08 0.27 117.51 122.34 3kwx h ILE 276 Ca 0.18 -0.36 -0.26 0.00 1.00 0.00 0.00 64.86 65.41 3kwx h ILE 276 Cb 0.32 -0.11 0.02 0.00 -0.74 0.00 0.00 36.82 36.31 3kwx h ILE 276 CO 0.00 0.19 -1.01 0.78 0.00 0.00 0.00 178.15 178.11 3kwx h ASN 277 N 1.06 0.91 -0.37 1.72 2.35 -0.94 -0.94 115.58 119.37 3kwx h ASN 277 Ca 0.42 -0.73 0.01 0.00 -0.55 0.00 0.00 56.30 55.45 3kwx h ASN 277 Cb 0.22 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 3kwx h ASN 277 CO -0.19 1.52 0.22 0.74 -1.65 0.00 0.00 177.43 178.07 3kwx h THR 278 N 0.40 1.04 -0.13 2.81 2.02 -0.43 -1.28 112.91 117.34 3kwx h THR 278 Ca -0.12 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 3kwx h THR 278 Cb 1.67 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 3kwx h THR 278 CO 0.20 0.08 0.04 0.58 0.37 0.00 0.00 175.52 176.79 3kwx h VAL 279 N 0.44 1.18 -0.94 3.16 2.07 -0.97 0.27 116.25 121.46 3kwx h VAL 279 Ca 0.15 -0.55 0.17 0.00 0.82 0.00 0.00 66.70 67.29 3kwx h VAL 279 Cb -0.00 1.30 -0.10 0.00 -1.52 0.00 0.00 31.29 30.97 3kwx h VAL 279 CO -0.07 0.17 0.54 0.50 0.02 0.00 0.00 177.57 178.73 3kwx h LYS 280 N 0.03 0.68 0.00 1.57 3.64 -0.99 -1.89 116.57 119.60 3kwx h LYS 280 Ca 0.04 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 3kwx h LYS 280 Cb 0.22 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3kwx h LYS 280 CO -0.00 0.45 -0.43 1.03 -2.27 0.00 0.00 179.45 178.23 3kwx h SER 281 N 0.70 0.00 0.67 4.20 0.87 -1.09 -3.41 113.55 115.49 3kwx h SER 281 Ca 0.53 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3kwx h SER 281 Cb 0.81 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 3kwx h SER 281 CO -0.38 0.94 -0.22 0.47 -0.53 0.00 0.00 176.83 177.10 3kwx n ASP 282 N -4.61 0.31 -4.77 6.23 8.00 0.07 -4.83 116.55 116.95 3kwx n ASP 282 Ca -0.12 -0.03 -0.38 0.00 0.71 0.00 0.00 54.79 54.97 3kwx n ASP 282 Cb 0.36 -0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 41.29 3kwx n ASP 282 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kwx h PRO 284 N 5.97 0.16 -1.41 0.00 0.11 -1.88 -3.37 132.00 131.59 3kwx h PRO 284 Ca -0.45 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 3kwx h PRO 284 Cb 1.19 -0.04 -0.25 0.00 0.11 0.00 0.00 31.00 32.01 3kwx h PRO 284 CO 0.70 0.11 -0.48 0.34 -0.21 0.00 0.00 178.00 178.46 3kwx s ASP 285 N -5.13 -0.45 0.62 -2.05 -1.08 -1.26 -5.02 116.67 102.30 3kwx s ASP 285 Ca -0.13 -0.31 0.32 0.00 -0.52 0.00 0.00 52.55 51.91 3kwx s ASP 285 Cb 0.25 1.48 1.76 0.00 -1.46 0.00 0.00 42.92 44.94 3kwx s ASP 285 CO 0.77 -0.31 2.07 0.77 0.52 0.00 0.00 175.17 178.99 3kwx h SER 286 N 7.91 0.00 0.92 -0.34 4.64 -1.83 -0.39 113.55 124.46 3kwx h SER 286 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3kwx h SER 286 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3kwx h SER 286 CO 0.20 0.00 -0.04 0.35 -0.87 0.00 0.00 176.83 176.47 3kwx n THR 287 N -3.41 0.00 -0.41 2.95 -2.24 -1.26 -2.77 114.28 107.13 3kwx n THR 287 Ca 0.01 -0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.89 3kwx n THR 287 Cb 0.34 -0.43 0.30 0.00 -2.10 0.00 0.00 70.33 68.44 3kwx n THR 287 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kwx n LEU 288 N -1.48 3.96 -4.96 3.22 4.77 -0.16 -3.68 117.00 118.67 3kwx n LEU 288 Ca 0.07 -2.13 -0.22 0.00 -0.03 0.00 0.00 56.01 53.70 3kwx n LEU 288 Cb 0.33 -0.47 0.04 0.00 -2.33 0.00 0.00 43.42 40.99 3kwx n LEU 288 CO 0.27 0.89 0.39 -0.76 -1.33 0.00 0.00 177.39 176.86 3kwx s LEU 289 N -1.25 3.29 -0.15 2.23 1.43 -1.12 -4.25 118.68 118.86 3kwx s LEU 289 Ca 0.45 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 3kwx s LEU 289 Cb 0.25 -3.00 -0.00 0.00 0.03 0.00 0.00 46.19 43.47 3kwx s LEU 289 CO 0.27 -1.11 -0.17 -0.83 0.23 0.00 0.00 176.35 174.75 3kwx s GLY 290 N -4.39 1.45 -0.08 -3.19 0.00 -1.02 -0.57 107.32 99.52 3kwx s GLY 290 Ca 0.56 -1.03 -0.12 0.00 0.00 0.00 0.00 44.72 44.13 3kwx s GLY 290 CO 0.40 -0.04 0.29 -1.59 0.00 0.00 0.00 173.10 172.16 3kwx s THR 291 N 0.72 5.26 0.08 0.90 2.01 -0.11 0.03 115.64 124.54 3kwx s THR 291 Ca -0.07 0.55 -0.19 0.00 0.31 0.00 0.00 61.69 62.29 3kwx s THR 291 Cb -0.16 -3.58 0.04 0.00 0.01 0.00 0.00 72.50 68.81 3kwx s THR 291 CO 0.01 0.54 0.45 0.72 -0.69 0.00 0.00 174.62 175.66 3kwx s PHE 292 N -0.66 -0.31 0.00 4.92 -0.71 -1.26 -0.50 117.98 119.46 3kwx s PHE 292 Ca 0.19 0.18 0.00 0.00 -1.04 0.00 0.00 56.93 56.26 3kwx s PHE 292 Cb -0.14 0.29 0.00 0.00 -1.21 0.00 0.00 43.02 41.96 3kwx s PHE 292 CO 0.08 -0.66 0.25 1.55 -1.34 0.00 0.00 175.22 175.10 3kwx n VAL 293 N 0.15 0.00 -3.75 -2.49 3.14 -1.26 -4.59 118.33 109.53 3kwx n VAL 293 Ca -0.17 -0.43 -0.13 0.00 -2.96 0.00 0.00 64.34 60.64 3kwx n VAL 293 Cb 0.62 1.08 -0.14 0.00 -1.06 0.00 0.00 33.84 34.34 3kwx n VAL 293 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 3kwx s GLU 294 N -0.35 0.13 0.00 1.45 2.12 -1.26 -4.54 118.70 116.24 3kwx s GLU 294 Ca 0.00 0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.73 3kwx s GLU 294 Cb 0.00 -0.15 0.00 0.00 0.26 0.00 0.00 34.13 34.24 3kwx s GLU 294 CO 0.00 -0.15 0.00 0.27 -0.54 0.00 0.00 175.26 174.84 3kwx n ASN 295 N 4.13 0.00 -0.34 -1.70 0.23 -1.26 -4.27 115.26 112.04 3kwx n ASN 295 Ca -0.25 -0.91 0.14 0.00 -0.53 0.00 0.00 54.58 53.03 3kwx n ASN 295 Cb 0.52 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.84 3kwx n ASN 295 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kwx n HIS 296 N 0.00 0.03 -0.33 -2.53 1.44 -1.26 -3.79 115.22 108.78 3kwx n HIS 296 Ca 0.00 -0.01 0.04 0.00 -2.01 0.00 0.00 57.72 55.74 3kwx n HIS 296 Cb 0.00 0.00 0.09 0.00 0.12 0.00 0.00 29.99 30.20 3kwx n HIS 296 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3kwx n ASP 297 N -0.15 2.50 -3.80 4.39 8.00 -1.26 -4.48 116.55 121.75 3kwx n ASP 297 Ca 0.20 -2.28 -0.09 0.00 0.71 0.00 0.00 54.79 53.32 3kwx n ASP 297 Cb 0.27 -0.19 -0.07 0.00 -0.02 0.00 0.00 41.12 41.12 3kwx n ASP 297 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3kwx s ASN 298 N -1.41 0.03 0.49 -2.24 -0.87 -1.25 -4.90 114.94 104.81 3kwx s ASN 298 Ca 0.16 -0.57 -0.23 0.00 -1.57 0.00 0.00 52.86 50.65 3kwx s ASN 298 Cb 0.11 0.37 -0.07 0.00 -0.02 0.00 0.00 41.25 41.64 3kwx s ASN 298 CO 0.06 -0.76 1.31 -2.65 -2.57 0.00 0.00 177.10 172.49 3kwx n PRO 299 N -0.09 1.81 -2.00 -0.60 -0.02 -1.26 -4.62 135.00 128.21 3kwx n PRO 299 Ca -0.15 0.65 -0.35 0.00 -2.02 0.00 0.00 63.50 61.63 3kwx n PRO 299 Cb 0.63 -2.49 0.03 0.00 -0.02 0.00 0.00 33.50 31.65 3kwx n PRO 299 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kwx s ARG 300 N -2.57 2.99 0.19 -0.52 0.52 -0.01 -4.79 118.95 114.77 3kwx s ARG 300 Ca 0.66 1.70 -0.21 0.00 -0.52 0.00 0.00 55.73 57.37 3kwx s ARG 300 Cb -0.45 -1.95 0.12 0.00 0.52 0.00 0.00 34.95 33.20 3kwx s ARG 300 CO 0.53 -1.16 1.59 0.35 0.02 0.00 0.00 175.30 176.64 3kwx h PHE 301 N 0.77 -0.89 0.00 -0.53 3.57 -1.83 0.11 116.94 118.14 3kwx h PHE 301 Ca -0.50 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.07 3kwx h PHE 301 Cb 1.28 0.48 0.00 0.00 2.79 0.00 0.00 35.95 40.49 3kwx h PHE 301 CO 0.49 -0.38 0.00 0.00 -2.23 0.00 0.00 178.31 176.19 3kwx n ALA 302 N -3.13 1.48 0.19 2.41 0.00 -1.26 -1.04 120.51 119.17 3kwx n ALA 302 Ca 0.04 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.53 3kwx n ALA 302 Cb 0.35 -1.11 0.27 0.00 0.00 0.00 0.00 19.45 18.96 3kwx n ALA 302 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kwx h SER 303 N 0.00 0.00 0.63 0.00 4.64 -0.87 -3.28 113.55 114.67 3kwx h SER 303 Ca 0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 3kwx h SER 303 Cb 0.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 3kwx h SER 303 CO 0.00 0.29 -1.40 1.88 -0.87 0.00 0.00 176.83 176.73 3kwx h TYR 304 N 0.00 0.22 -2.35 4.77 0.05 -1.17 -3.48 116.97 115.02 3kwx h TYR 304 Ca -0.00 -0.16 -0.08 0.00 0.05 0.00 0.00 58.73 58.54 3kwx h TYR 304 Cb 1.00 -0.01 -0.21 0.00 1.01 0.00 0.00 36.73 38.52 3kwx h TYR 304 CO 0.00 1.18 -0.02 -0.08 -1.05 0.00 0.00 178.16 178.20 3kwx s THR 305 N -2.64 0.01 -1.97 -2.88 -1.32 -1.23 -4.98 115.64 100.63 3kwx s THR 305 Ca -0.05 -0.06 0.20 0.00 -1.21 0.00 0.00 61.69 60.57 3kwx s THR 305 Cb 0.08 -0.83 0.57 0.00 -1.51 0.00 0.00 72.50 70.82 3kwx s THR 305 CO 0.84 -0.03 1.48 -0.46 -2.21 0.00 0.00 174.62 174.23 3kwx n ASN 306 N 2.21 3.49 -4.62 8.08 0.23 -1.26 -4.27 115.26 119.12 3kwx n ASN 306 Ca -0.16 -2.02 -0.43 0.00 -0.53 0.00 0.00 54.58 51.45 3kwx n ASN 306 Cb 0.56 -0.44 -0.03 0.00 -2.08 0.00 0.00 39.78 37.80 3kwx n ASN 306 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3kwx s ASP 307 N -0.99 6.16 0.39 0.53 -1.08 -1.26 -4.87 116.67 115.54 3kwx s ASP 307 Ca 0.43 1.67 0.09 0.00 -0.52 0.00 0.00 52.55 54.22 3kwx s ASP 307 Cb 0.23 -2.53 0.78 0.00 -1.46 0.00 0.00 42.92 39.94 3kwx s ASP 307 CO 0.29 -1.43 1.92 -0.29 0.52 0.00 0.00 175.17 176.18 3kwx h ILE 308 N 6.38 1.17 -0.33 4.11 6.09 -2.00 -2.74 117.51 130.20 3kwx h ILE 308 Ca -0.36 -0.76 -0.16 0.00 -1.37 0.00 0.00 64.86 62.22 3kwx h ILE 308 Cb 1.17 1.18 -0.00 0.00 0.47 0.00 0.00 36.82 39.64 3kwx h ILE 308 CO 1.00 0.24 -0.40 0.00 -3.07 0.00 0.00 178.15 175.91 3kwx h ALA 309 N 1.65 0.49 -0.44 0.18 0.00 -1.90 -0.86 119.26 118.38 3kwx h ALA 309 Ca 0.05 -0.46 0.05 0.00 0.00 0.00 0.00 54.91 54.55 3kwx h ALA 309 Cb 0.36 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3kwx h ALA 309 CO 0.02 0.60 0.19 -0.07 0.00 0.00 0.00 179.25 179.99 3kwx h LEU 310 N 0.63 0.25 -1.07 0.00 3.38 -1.81 -1.74 115.31 114.96 3kwx h LEU 310 Ca 0.04 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3kwx h LEU 310 Cb 1.00 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 3kwx h LEU 310 CO 0.10 0.18 0.63 0.00 0.09 0.00 0.00 178.44 179.43 3kwx h ALA 311 N 1.26 1.36 -0.73 1.53 0.00 -1.20 -1.83 119.26 119.65 3kwx h ALA 311 Ca 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kwx h ALA 311 Cb 0.15 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3kwx h ALA 311 CO -0.17 0.57 0.45 0.87 0.00 0.00 0.00 179.25 180.97 3kwx h LYS 312 N 1.24 0.98 -0.32 0.00 1.57 -0.76 -2.15 116.57 117.14 3kwx h LYS 312 Ca 0.37 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.99 3kwx h LYS 312 Cb -0.06 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 3kwx h LYS 312 CO -0.10 0.69 -0.09 -0.91 -0.57 0.00 0.00 179.45 178.46 3kwx h ASN 313 N 0.99 0.63 0.06 0.86 2.35 -0.54 -2.04 115.58 117.89 3kwx h ASN 313 Ca 0.26 -0.38 -0.13 0.00 -0.55 0.00 0.00 56.30 55.50 3kwx h ASN 313 Cb -0.05 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 3kwx h ASN 313 CO -0.05 0.86 -0.44 1.62 -1.65 0.00 0.00 177.43 177.77 3kwx h VAL 314 N 0.39 1.31 -0.60 2.81 3.04 -1.31 -1.26 116.25 120.64 3kwx h VAL 314 Ca 0.08 -1.63 -0.06 0.00 -1.01 0.00 0.00 66.70 64.08 3kwx h VAL 314 Cb 0.59 1.65 -0.02 0.00 -2.01 0.00 0.00 31.29 31.50 3kwx h VAL 314 CO 0.03 0.50 0.14 0.00 -1.01 0.00 0.00 177.57 177.24 3kwx h ALA 315 N 1.14 0.79 -0.54 3.17 0.00 -1.36 -1.82 119.26 120.64 3kwx h ALA 315 Ca 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3kwx h ALA 315 Cb 0.93 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3kwx h ALA 315 CO 0.08 0.50 0.28 0.00 0.00 0.00 0.00 179.25 180.11 3kwx h ALA 316 N 1.03 0.70 -0.17 0.00 0.00 -0.91 -2.20 119.26 117.71 3kwx h ALA 316 Ca 0.19 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3kwx h ALA 316 Cb 0.36 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3kwx h ALA 316 CO 0.00 0.24 -0.07 0.35 0.00 0.00 0.00 179.25 179.77 3kwx h PHE 317 N 0.73 -0.17 -0.64 0.00 3.04 -1.07 -1.41 116.94 117.41 3kwx h PHE 317 Ca 0.19 0.02 0.12 0.00 3.98 0.00 0.00 57.97 62.27 3kwx h PHE 317 Cb 0.09 0.10 -0.09 0.00 2.56 0.00 0.00 35.95 38.61 3kwx h PHE 317 CO -0.01 -0.12 0.19 0.82 -2.02 0.00 0.00 178.31 177.18 3kwx h ILE 318 N -0.05 0.67 -0.02 1.41 2.04 -1.04 0.12 117.51 120.63 3kwx h ILE 318 Ca 0.09 -0.11 -0.09 0.00 1.00 0.00 0.00 64.86 65.74 3kwx h ILE 318 Cb 0.18 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3kwx h ILE 318 CO -0.20 0.06 -0.43 0.40 0.00 0.00 0.00 178.15 177.98 3kwx h ILE 319 N 0.33 1.31 0.00 -0.67 1.08 -0.96 -3.33 117.51 115.28 3kwx h ILE 319 Ca 0.34 -1.50 0.00 0.00 -0.39 0.00 0.00 64.86 63.31 3kwx h ILE 319 Cb 0.50 1.79 0.00 0.00 -3.07 0.00 0.00 36.82 36.03 3kwx h ILE 319 CO -0.39 0.43 -0.86 0.18 -0.69 0.00 0.00 178.15 176.82 3kwx n LEU 320 N -4.02 0.59 -4.51 1.44 4.77 -0.57 -4.78 117.00 109.93 3kwx n LEU 320 Ca -0.02 -0.42 -0.28 0.00 -0.03 0.00 0.00 56.01 55.26 3kwx n LEU 320 Cb 0.46 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.80 3kwx n LEU 320 CO 0.40 0.15 0.53 0.21 -1.33 0.00 0.00 177.39 177.35 3kwx s ASN 321 N -2.63 1.08 0.71 -1.43 2.47 0.30 -4.97 114.94 110.47 3kwx s ASN 321 Ca 0.04 1.47 -0.16 0.00 0.42 0.00 0.00 52.86 54.63 3kwx s ASN 321 Cb 0.11 -2.25 0.03 0.00 -1.45 0.00 0.00 41.25 37.69 3kwx s ASN 321 CO 0.62 -4.14 1.26 -1.81 -3.72 0.00 0.00 177.10 169.31 3kwx s ASP 322 N -2.61 4.21 0.00 -4.21 1.11 -1.26 -4.81 116.67 109.09 3kwx s ASP 322 Ca 0.68 2.52 0.00 0.00 0.18 0.00 0.00 52.55 55.93 3kwx s ASP 322 Cb -0.24 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.14 3kwx s ASP 322 CO 0.64 -2.26 0.00 0.61 1.18 0.00 0.00 175.17 175.33 3kwx n GLY 323 N 0.73 -1.57 3.58 0.21 0.00 -1.22 -4.68 105.19 102.23 3kwx n GLY 323 Ca 0.15 -1.46 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 3kwx n GLY 323 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kwx s ILE 324 N 0.00 5.21 0.31 -0.61 1.01 0.26 -4.91 121.20 122.47 3kwx s ILE 324 Ca 0.00 0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.50 3kwx s ILE 324 Cb 0.00 -3.47 -0.10 0.00 0.01 0.00 0.00 42.46 38.89 3kwx s ILE 324 CO 0.00 0.27 1.33 -2.84 0.00 0.00 0.00 174.94 173.70 3kwx s PRO 325 N 1.69 4.33 -0.22 2.79 0.02 -1.26 -0.93 135.00 141.42 3kwx s PRO 325 Ca 0.07 2.24 -0.01 0.00 0.02 0.00 0.00 61.00 63.31 3kwx s PRO 325 Cb -0.16 -3.08 0.06 0.00 0.02 0.00 0.00 34.50 31.35 3kwx s PRO 325 CO 0.10 -0.24 0.00 0.42 -0.33 0.00 0.00 177.00 176.95 3kwx s ILE 326 N -0.89 1.01 -0.12 2.83 1.01 0.35 0.02 121.20 125.40 3kwx s ILE 326 Ca 0.51 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 60.19 3kwx s ILE 326 Cb -0.40 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 3kwx s ILE 326 CO 0.51 -0.19 0.07 -0.63 0.00 0.00 0.00 174.94 174.70 3kwx s ILE 327 N 1.63 4.94 -0.27 2.92 -1.09 -0.18 -4.42 121.20 124.72 3kwx s ILE 327 Ca -0.02 -0.00 -0.10 0.00 -2.23 0.00 0.00 60.65 58.29 3kwx s ILE 327 Cb -0.18 -3.13 -0.05 0.00 -1.58 0.00 0.00 42.46 37.52 3kwx s ILE 327 CO -0.08 0.59 0.16 -0.47 -1.23 0.00 0.00 174.94 173.91 3kwx s TYR 328 N -0.77 3.20 -0.32 3.97 5.04 -1.26 -0.35 117.35 126.87 3kwx s TYR 328 Ca 0.13 0.01 -0.42 0.00 -2.44 0.00 0.00 57.07 54.35 3kwx s TYR 328 Cb -0.12 -2.34 -0.19 0.00 0.35 0.00 0.00 41.96 39.67 3kwx s TYR 328 CO 0.03 -0.18 1.35 0.00 -1.34 0.00 0.00 175.55 175.40 3kwx n ALA 329 N 4.95 -2.02 0.00 3.97 0.00 0.82 -0.52 120.51 127.71 3kwx n ALA 329 Ca -0.15 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3kwx n ALA 329 Cb 0.52 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3kwx n ALA 329 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kwx n GLY 330 N 2.99 1.73 0.37 0.00 0.00 -1.26 -4.92 105.19 104.10 3kwx n GLY 330 Ca 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.26 3kwx n GLY 330 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kwx h GLN 331 N 0.14 1.27 0.00 1.61 4.15 -1.13 -0.52 115.11 120.62 3kwx h GLN 331 Ca 0.00 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.34 3kwx h GLN 331 Cb 0.00 -0.29 0.00 0.00 0.21 0.00 0.00 27.48 27.40 3kwx h GLN 331 CO 0.00 0.84 0.00 -0.85 -1.93 0.00 0.00 178.83 176.89 3kwx n GLU 332 N -4.42 0.10 -0.26 1.69 0.00 -1.26 -1.12 120.64 115.38 3kwx n GLU 332 Ca 0.12 0.20 0.08 0.00 0.00 0.00 0.00 57.16 57.56 3kwx n GLU 332 Cb 0.03 -1.50 0.19 0.00 0.00 0.00 0.00 31.44 30.15 3kwx n GLU 332 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3kwx n GLN 333 N -1.39 2.46 -2.85 3.44 1.13 -0.33 -3.06 117.38 116.78 3kwx n GLN 333 Ca 0.05 -2.53 -0.21 0.00 -1.94 0.00 0.00 57.00 52.37 3kwx n GLN 333 Cb 0.14 -1.59 0.03 0.00 0.11 0.00 0.00 30.24 28.93 3kwx n GLN 333 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 3kwx n HIS 334 N -0.63 -1.65 -1.77 1.08 -0.00 -0.27 -4.94 115.22 107.04 3kwx n HIS 334 Ca 0.16 0.39 -0.40 0.00 0.46 0.00 0.00 57.72 58.33 3kwx n HIS 334 Cb 0.70 -4.17 0.01 0.00 -0.12 0.00 0.00 29.99 26.41 3kwx n HIS 334 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 3kwx n TYR 335 N -4.35 2.82 -1.49 1.57 4.02 -0.47 -4.86 117.16 114.40 3kwx n TYR 335 Ca -0.13 0.44 0.07 0.00 -0.01 0.00 0.00 57.90 58.26 3kwx n TYR 335 Cb 0.63 -2.49 0.12 0.00 -0.02 0.00 0.00 39.34 37.58 3kwx n TYR 335 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kwx n ALA 336 N -0.01 2.57 -1.77 -0.72 0.00 -1.26 -4.05 120.51 115.27 3kwx n ALA 336 Ca 0.04 -2.48 -0.39 0.00 0.00 0.00 0.00 53.44 50.60 3kwx n ALA 336 Cb 0.41 -0.43 -0.00 0.00 0.00 0.00 0.00 19.45 19.43 3kwx n ALA 336 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kwx s GLY 337 N -2.56 2.90 0.00 0.00 0.00 -1.26 -3.83 107.32 102.57 3kwx s GLY 337 Ca 0.28 1.20 0.00 0.00 0.00 0.00 0.00 44.72 46.20 3kwx s GLY 337 CO -0.02 1.76 0.00 0.61 0.00 0.00 0.00 173.10 175.45 3kwx n GLY 338 N 0.65 0.06 3.72 0.20 0.00 -1.26 -0.83 105.19 107.72 3kwx n GLY 338 Ca 0.05 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 44.15 3kwx n GLY 338 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kwx n ASN 339 N 0.00 1.98 -1.57 1.61 3.02 -1.26 -1.81 115.26 117.23 3kwx n ASN 339 Ca 0.00 0.83 -0.22 0.00 -0.03 0.00 0.00 54.58 55.16 3kwx n ASN 339 Cb 0.00 -1.54 -0.03 0.00 -0.61 0.00 0.00 39.78 37.59 3kwx n ASN 339 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3kwx n ASP 340 N -1.79 0.26 -1.05 6.41 2.03 -1.26 -1.50 116.55 119.65 3kwx n ASP 340 Ca 0.16 0.40 0.11 0.00 0.52 0.00 0.00 54.79 55.98 3kwx n ASP 340 Cb 0.48 -0.30 0.26 0.00 -0.72 0.00 0.00 41.12 40.83 3kwx n ASP 340 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3kwx n PRO 341 N 1.05 2.36 0.28 -0.67 -0.04 -1.26 -4.93 135.00 131.80 3kwx n PRO 341 Ca 0.09 -2.07 0.13 0.00 -0.04 0.00 0.00 63.50 61.61 3kwx n PRO 341 Cb -0.00 -1.49 0.82 0.00 -0.04 0.00 0.00 33.50 32.79 3kwx n PRO 341 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kwx h ALA 342 N 4.36 1.58 -0.31 0.55 0.00 -1.44 -2.16 119.26 121.84 3kwx h ALA 342 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kwx h ALA 342 Cb 0.87 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3kwx h ALA 342 CO 0.00 0.03 0.00 0.27 0.00 0.00 0.00 179.25 179.55 3kwx n ASN 343 N -3.96 2.15 -2.18 0.00 0.23 -0.75 -4.06 115.26 106.69 3kwx n ASN 343 Ca -0.03 -2.12 -0.30 0.00 -0.53 0.00 0.00 54.58 51.60 3kwx n ASN 343 Cb 0.11 -0.33 0.07 0.00 -2.08 0.00 0.00 39.78 37.56 3kwx n ASN 343 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3kwx n ARG 344 N 0.40 2.93 -1.79 -3.83 3.00 -0.81 -4.74 116.66 111.82 3kwx n ARG 344 Ca 0.11 -3.55 -0.41 0.00 -0.01 0.00 0.00 57.85 53.99 3kwx n ARG 344 Cb 0.39 -2.26 0.01 0.00 0.00 0.00 0.00 32.46 30.60 3kwx n ARG 344 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 3kwx s GLU 345 N -3.72 3.92 0.18 5.56 8.01 -1.26 -4.91 118.70 126.48 3kwx s GLU 345 Ca 0.60 2.52 -0.31 0.00 0.01 0.00 0.00 54.97 57.79 3kwx s GLU 345 Cb 0.47 -2.83 -0.09 0.00 -4.31 0.00 0.00 34.13 27.37 3kwx s GLU 345 CO 0.01 -0.67 1.44 0.00 0.01 0.00 0.00 175.26 176.06 3kwx s ALA 346 N -1.15 3.65 0.28 5.21 0.00 -1.26 -4.89 121.76 123.59 3kwx s ALA 346 Ca 0.56 1.25 0.05 0.00 0.00 0.00 0.00 51.96 53.82 3kwx s ALA 346 Cb -0.46 -3.56 0.40 0.00 0.00 0.00 0.00 23.12 19.51 3kwx s ALA 346 CO 0.61 -0.69 1.68 1.15 0.00 0.00 0.00 175.76 178.51 3kwx h THR 347 N 3.90 1.30 0.00 0.00 2.02 -0.87 -3.17 112.91 116.09 3kwx h THR 347 Ca -0.44 -1.50 -0.01 0.00 0.77 0.00 0.00 66.41 65.23 3kwx h THR 347 Cb 1.21 1.62 -0.00 0.00 -1.74 0.00 0.00 68.15 69.24 3kwx h THR 347 CO 0.84 0.46 -0.03 4.11 0.37 0.00 0.00 175.52 181.26 3kwx h TRP 348 N 0.28 0.00 0.00 3.16 0.09 -1.74 -1.99 115.95 115.75 3kwx h TRP 348 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.01 3kwx h TRP 348 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.06 3kwx h TRP 348 CO 0.02 0.03 0.00 1.28 0.09 0.00 0.00 178.44 179.86 3kwx n LEU 349 N -3.21 0.12 0.17 0.11 4.77 -1.20 -2.16 117.00 115.61 3kwx n LEU 349 Ca -0.01 0.53 0.12 0.00 -0.03 0.00 0.00 56.01 56.62 3kwx n LEU 349 Cb 0.22 -0.51 0.18 0.00 -2.33 0.00 0.00 43.42 40.98 3kwx n LEU 349 CO 0.26 -0.28 0.66 0.77 -1.33 0.00 0.00 177.39 177.46 3kwx h SER 350 N 0.00 0.00 0.00 -1.43 4.64 -1.57 -3.47 113.55 111.72 3kwx h SER 350 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3kwx h SER 350 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3kwx h SER 350 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3kwx n GLY 351 N 1.16 0.89 3.60 -0.77 0.00 -0.92 -4.25 105.19 104.90 3kwx n GLY 351 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 3kwx n GLY 351 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kwx n TYR 352 N -2.00 -2.06 -1.78 1.61 4.01 -1.26 -4.92 117.16 110.77 3kwx n TYR 352 Ca 0.00 0.89 -0.42 0.00 -0.16 0.00 0.00 57.90 58.20 3kwx n TYR 352 Cb 0.00 -4.66 -0.03 0.00 -0.31 0.00 0.00 39.34 34.34 3kwx n TYR 352 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 3kwx s PRO 353 N -5.78 4.16 0.00 -0.72 0.02 -1.26 -4.86 135.00 126.56 3kwx s PRO 353 Ca 0.04 2.50 0.17 0.00 0.02 0.00 0.00 61.00 63.74 3kwx s PRO 353 Cb -0.02 -3.83 0.55 0.00 0.02 0.00 0.00 34.50 31.21 3kwx s PRO 353 CO 0.78 -0.86 1.42 0.25 -0.33 0.00 0.00 177.00 178.26 3kwx n THR 354 N 5.10 0.38 -0.49 0.99 -2.24 -1.26 -3.86 114.28 112.90 3kwx n THR 354 Ca 0.18 -0.47 0.05 0.00 -2.27 0.00 0.00 64.05 61.54 3kwx n THR 354 Cb 0.40 0.38 0.09 0.00 -2.10 0.00 0.00 70.33 69.10 3kwx n THR 354 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3kwx n ASP 355 N 0.58 2.43 -4.79 3.42 5.75 -1.26 -4.69 116.55 117.99 3kwx n ASP 355 Ca 0.15 -2.48 -0.31 0.00 -0.01 0.00 0.00 54.79 52.14 3kwx n ASP 355 Cb 0.36 -0.23 0.06 0.00 -1.03 0.00 0.00 41.12 40.28 3kwx n ASP 355 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3kwx s SER 356 N -1.74 5.05 0.14 -1.12 1.04 -1.25 -4.85 113.70 110.97 3kwx s SER 356 Ca 0.18 1.74 -0.26 0.00 0.48 0.00 0.00 55.95 58.09 3kwx s SER 356 Cb 0.15 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.74 3kwx s SER 356 CO 0.04 -1.67 1.60 -0.33 0.98 0.00 0.00 173.24 173.86 3kwx h GLU 357 N -0.73 -0.37 0.00 4.02 4.39 -1.96 -1.69 114.58 118.24 3kwx h GLU 357 Ca -0.44 0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.11 3kwx h GLU 357 Cb 1.22 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.93 3kwx h GLU 357 CO 0.54 -0.25 -0.84 -0.07 -1.16 0.00 0.00 179.01 177.23 3kwx h LEU 358 N -0.39 0.02 -0.50 1.33 3.38 -1.93 -0.30 115.31 116.93 3kwx h LEU 358 Ca 0.11 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.10 3kwx h LEU 358 Cb 0.57 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 3kwx h LEU 358 CO -0.42 0.86 0.27 0.22 0.09 0.00 0.00 178.44 179.45 3kwx h TYR 359 N 0.01 0.49 -0.28 1.13 5.03 -1.42 0.30 116.97 122.23 3kwx h TYR 359 Ca -0.01 0.02 -0.14 0.00 2.58 0.00 0.00 58.73 61.18 3kwx h TYR 359 Cb 1.49 -0.15 -0.00 0.00 1.55 0.00 0.00 36.73 39.62 3kwx h TYR 359 CO 0.00 0.26 -0.37 0.87 -1.32 0.00 0.00 178.16 177.60 3kwx h LYS 360 N 0.52 0.74 -0.16 1.82 1.57 -0.99 -1.02 116.57 119.06 3kwx h LYS 360 Ca 0.21 -0.43 0.05 0.00 -1.87 0.00 0.00 60.65 58.62 3kwx h LYS 360 Cb 0.09 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.38 3kwx h LYS 360 CO -0.13 1.05 -0.21 1.25 -0.57 0.00 0.00 179.45 180.84 3kwx h LEU 361 N 0.49 -0.65 -0.62 2.94 7.12 -0.89 -0.59 115.31 123.10 3kwx h LEU 361 Ca 0.03 0.11 -0.05 0.00 0.13 0.00 0.00 57.88 58.11 3kwx h LEU 361 Cb 0.96 0.30 -0.03 0.00 -0.53 0.00 0.00 40.66 41.36 3kwx h LEU 361 CO 0.09 -0.26 0.21 0.40 -0.13 0.00 0.00 178.44 178.75 3kwx h ILE 362 N -0.25 1.24 -0.30 4.05 2.04 -0.83 -1.36 117.51 122.11 3kwx h ILE 362 Ca 0.11 -0.81 0.04 0.00 1.00 0.00 0.00 64.86 65.21 3kwx h ILE 362 Cb 0.41 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 3kwx h ILE 362 CO -0.31 0.31 0.05 0.00 0.00 0.00 0.00 178.15 178.21 3kwx h ALA 363 N 1.08 0.31 -0.36 1.87 0.00 -0.92 -0.28 119.26 120.95 3kwx h ALA 363 Ca 0.20 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.18 3kwx h ALA 363 Cb 0.26 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3kwx h ALA 363 CO -0.01 -0.36 0.22 0.77 0.00 0.00 0.00 179.25 179.87 3kwx h SER 364 N 0.16 0.35 -0.30 0.00 0.02 -0.69 0.62 113.55 113.72 3kwx h SER 364 Ca 0.14 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 3kwx h SER 364 Cb 0.15 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3kwx h SER 364 CO -0.19 0.26 -0.04 0.00 -1.14 0.00 0.00 176.83 175.72 3kwx h ALA 365 N 1.15 0.40 -0.71 3.77 0.00 -0.99 -2.30 119.26 120.57 3kwx h ALA 365 Ca 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3kwx h ALA 365 Cb -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3kwx h ALA 365 CO -0.06 0.19 0.38 -0.91 0.00 0.00 0.00 179.25 178.85 3kwx h ASN 366 N 0.32 0.89 -0.12 0.00 2.35 -0.97 -1.86 115.58 116.20 3kwx h ASN 366 Ca 0.08 -0.08 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 3kwx h ASN 366 Cb 0.50 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 3kwx h ASN 366 CO 0.02 0.73 -0.05 0.00 -1.65 0.00 0.00 177.43 176.48 3kwx h ALA 367 N 1.42 0.05 -0.24 -0.83 0.00 -0.57 0.26 119.26 119.34 3kwx h ALA 367 Ca 0.25 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3kwx h ALA 367 Cb 0.05 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3kwx h ALA 367 CO -0.04 -0.51 0.02 0.97 0.00 0.00 0.00 179.25 179.69 3kwx h ILE 368 N -0.04 1.24 -0.42 0.00 6.09 -1.34 -1.25 117.51 121.79 3kwx h ILE 368 Ca 0.06 -0.84 0.04 0.00 -1.37 0.00 0.00 64.86 62.76 3kwx h ILE 368 Cb 0.14 1.32 -0.04 0.00 0.47 0.00 0.00 36.82 38.71 3kwx h ILE 368 CO -0.14 0.26 0.20 -0.09 -3.07 0.00 0.00 178.15 175.31 3kwx h ARG 369 N 0.20 0.39 -0.50 2.19 2.43 -1.09 0.16 114.38 118.16 3kwx h ARG 369 Ca 0.07 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3kwx h ARG 369 Cb 0.37 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 3kwx h ARG 369 CO 0.01 0.26 0.19 -0.91 -1.51 0.00 0.00 179.97 178.00 3kwx h ASN 370 N 0.40 0.71 0.47 -3.80 2.35 -0.41 -2.02 115.58 113.27 3kwx h ASN 370 Ca 0.19 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3kwx h ASN 370 Cb 0.11 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3kwx h ASN 370 CO -0.14 0.70 -0.22 0.22 -1.65 0.00 0.00 177.43 176.33 3kwx h TYR 371 N 0.68 -0.58 -0.95 1.19 3.20 -0.81 -2.06 116.97 117.62 3kwx h TYR 371 Ca 0.17 -0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.25 3kwx h TYR 371 Cb 0.22 0.19 -0.12 0.00 1.54 0.00 0.00 36.73 38.57 3kwx h TYR 371 CO 0.01 -0.33 0.52 0.00 -1.64 0.00 0.00 178.16 176.71 3kwx h ALA 372 N -0.16 1.62 -0.43 1.82 0.00 -0.59 -0.31 119.26 121.20 3kwx h ALA 372 Ca -0.06 0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3kwx h ALA 372 Cb 0.51 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3kwx h ALA 372 CO 0.10 -0.25 -0.31 0.82 0.00 0.00 0.00 179.25 179.61 3kwx h ILE 373 N 0.54 1.27 0.00 0.00 2.04 -1.16 0.41 117.51 120.61 3kwx h ILE 373 Ca 0.60 -1.48 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 3kwx h ILE 373 Cb 1.09 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 38.42 3kwx h ILE 373 CO -0.47 0.50 -0.09 0.77 0.00 0.00 0.00 178.15 178.86 3kwx h SER 374 N 0.81 0.00 0.11 1.72 4.64 -0.35 -3.14 113.55 117.33 3kwx h SER 374 Ca 0.08 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.04 3kwx h SER 374 Cb 0.89 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.93 3kwx h SER 374 CO 0.08 0.09 -2.22 0.29 -0.87 0.00 0.00 176.83 174.20 3kwx n LYS 375 N -4.09 0.68 -3.80 4.77 4.76 -0.81 -4.85 118.16 114.82 3kwx n LYS 375 Ca -0.03 0.16 -0.35 0.00 -2.87 0.00 0.00 58.31 55.23 3kwx n LYS 375 Cb 0.17 -1.61 -0.11 0.00 -1.84 0.00 0.00 35.03 31.64 3kwx n LYS 375 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3kwx s ASP 376 N -6.30 5.00 0.09 4.39 2.15 0.14 -4.94 116.67 117.20 3kwx s ASP 376 Ca -0.21 -2.69 0.06 0.00 0.43 0.00 0.00 52.55 50.14 3kwx s ASP 376 Cb 0.08 -1.78 0.32 0.00 -0.30 0.00 0.00 42.92 41.23 3kwx s ASP 376 CO 0.73 -0.37 1.18 0.35 -0.17 0.00 0.00 175.17 176.89 3kwx n THR 377 N 3.65 1.74 0.97 1.71 -2.24 -1.26 -1.05 114.28 117.80 3kwx n THR 377 Ca 0.05 0.56 0.12 0.00 -2.27 0.00 0.00 64.05 62.52 3kwx n THR 377 Cb 0.37 -1.56 0.13 0.00 -2.10 0.00 0.00 70.33 67.17 3kwx n THR 377 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kwx n GLY 378 N -1.44 1.01 0.40 3.38 0.00 -1.26 -4.55 105.19 102.72 3kwx n GLY 378 Ca -0.00 -0.68 -0.18 0.00 0.00 0.00 0.00 46.02 45.15 3kwx n GLY 378 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3kwx h PHE 379 N 4.58 -0.90 -0.01 1.61 3.57 -1.43 -1.48 116.94 122.87 3kwx h PHE 379 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3kwx h PHE 379 Cb 0.98 0.30 -0.00 0.00 2.79 0.00 0.00 35.95 40.01 3kwx h PHE 379 CO 0.02 -0.56 0.01 -0.39 -2.23 0.00 0.00 178.31 175.16 3kwx h VAL 380 N -1.00 0.77 -0.01 1.41 -1.51 -1.80 -1.16 116.25 112.95 3kwx h VAL 380 Ca -0.10 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 3kwx h VAL 380 Cb 0.75 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 3kwx h VAL 380 CO 0.16 0.00 -0.49 0.35 -1.23 0.00 0.00 177.57 176.36 3kwx n THR 381 N -4.20 0.00 -2.61 7.19 -2.24 -1.16 -4.78 114.28 106.48 3kwx n THR 381 Ca -0.03 -0.10 -0.43 0.00 -2.27 0.00 0.00 64.05 61.22 3kwx n THR 381 Cb 0.09 0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 68.94 3kwx n THR 381 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3kwx s TYR 382 N -2.71 3.03 -0.38 4.78 6.14 -0.44 -4.96 117.35 122.80 3kwx s TYR 382 Ca 0.17 1.05 -0.29 0.00 0.64 0.00 0.00 57.07 58.64 3kwx s TYR 382 Cb 0.18 -3.91 0.00 0.00 0.42 0.00 0.00 41.96 38.65 3kwx s TYR 382 CO 0.64 -0.97 1.50 0.15 0.64 0.00 0.00 175.55 177.51 3kwx s LYS 383 N 3.91 3.55 0.08 4.97 1.02 -1.26 -4.67 119.74 127.33 3kwx s LYS 383 Ca 0.47 1.10 -0.20 0.00 0.02 0.00 0.00 55.97 57.36 3kwx s LYS 383 Cb -0.11 -4.06 -0.11 0.00 -0.52 0.00 0.00 37.83 33.03 3kwx s LYS 383 CO 0.20 -1.60 0.44 -1.71 -0.92 0.00 0.00 175.35 171.77 3kwx n ASN 384 N 9.08 -0.49 -3.87 2.83 5.15 -1.26 -4.94 115.26 121.76 3kwx n ASN 384 Ca 0.18 0.70 -0.29 0.00 -0.60 0.00 0.00 54.58 54.57 3kwx n ASN 384 Cb 0.47 -0.58 -0.16 0.00 -0.53 0.00 0.00 39.78 38.99 3kwx n ASN 384 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 3kwx s TRP 385 N -0.39 1.83 -0.20 1.20 -0.00 -0.17 -4.96 118.94 116.25 3kwx s TRP 385 Ca 0.45 -1.32 -0.29 0.00 -0.00 0.00 0.00 56.10 54.94 3kwx s TRP 385 Cb -0.65 -1.35 -0.02 0.00 -0.00 0.00 0.00 33.47 31.45 3kwx s TRP 385 CO 0.35 -0.68 1.35 -2.14 -0.00 0.00 0.00 176.95 175.83 3kwx s PRO 386 N 1.59 4.09 -0.01 5.86 0.02 -1.26 0.06 135.00 145.35 3kwx s PRO 386 Ca -0.03 1.60 0.16 0.00 0.02 0.00 0.00 61.00 62.76 3kwx s PRO 386 Cb -0.17 -3.85 -0.21 0.00 0.02 0.00 0.00 34.50 30.29 3kwx s PRO 386 CO -0.07 -0.90 0.55 0.44 -0.33 0.00 0.00 177.00 176.69 3kwx n ILE 387 N 5.72 0.00 -3.53 2.83 -5.35 -0.78 -4.97 119.36 113.28 3kwx n ILE 387 Ca 0.15 -0.23 -0.17 0.00 -0.27 0.00 0.00 62.75 62.23 3kwx n ILE 387 Cb 0.45 0.63 -0.06 0.00 -1.74 0.00 0.00 39.64 38.92 3kwx n ILE 387 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 3kwx s TYR 388 N -2.78 -0.66 0.06 4.28 5.04 -1.15 -4.88 117.35 117.25 3kwx s TYR 388 Ca 0.01 1.20 -0.18 0.00 -2.44 0.00 0.00 57.07 55.66 3kwx s TYR 388 Cb 0.11 0.40 0.04 0.00 0.35 0.00 0.00 41.96 42.86 3kwx s TYR 388 CO 0.67 -0.57 0.42 -1.59 -1.34 0.00 0.00 175.55 173.14 3kwx s LYS 389 N -1.01 0.97 0.00 4.97 -2.85 -1.26 -1.08 119.74 119.48 3kwx s LYS 389 Ca -0.09 -0.43 0.00 0.00 -1.00 0.00 0.00 55.97 54.44 3kwx s LYS 389 Cb -0.01 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 36.20 3kwx s LYS 389 CO 0.09 -0.35 0.00 -0.40 0.10 0.00 0.00 175.35 174.79 3kwx n ASP 390 N 0.31 0.00 0.30 0.03 5.68 -0.60 -4.96 116.55 117.32 3kwx n ASP 390 Ca -0.18 -0.32 0.20 0.00 -0.50 0.00 0.00 54.79 53.99 3kwx n ASP 390 Cb 0.61 0.00 0.96 0.00 -1.14 0.00 0.00 41.12 41.55 3kwx n ASP 390 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3kwx h ASP 391 N 0.00 0.00 0.00 -1.12 5.19 -2.00 -3.11 116.42 115.37 3kwx h ASP 391 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3kwx h ASP 391 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3kwx h ASP 391 CO 0.00 0.00 -0.10 0.35 -3.12 0.00 0.00 179.24 176.37 3kwx n THR 392 N -3.05 0.31 -3.85 0.35 -2.24 -1.26 -4.66 114.28 99.87 3kwx n THR 392 Ca -0.01 -0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 61.32 3kwx n THR 392 Cb 0.18 0.73 -0.10 0.00 -2.10 0.00 0.00 70.33 69.04 3kwx n THR 392 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3kwx s THR 393 N -0.37 0.08 -0.13 4.28 2.01 -1.18 -1.79 115.64 118.54 3kwx s THR 393 Ca 0.02 -0.68 -0.12 0.00 0.31 0.00 0.00 61.69 61.22 3kwx s THR 393 Cb 0.02 -0.49 0.04 0.00 0.01 0.00 0.00 72.50 72.07 3kwx s THR 393 CO 0.00 -0.37 0.35 -0.51 -0.69 0.00 0.00 174.62 173.40 3kwx s ILE 394 N -1.47 -0.00 0.09 1.82 2.07 0.03 -1.56 121.20 122.18 3kwx s ILE 394 Ca -0.14 0.01 0.05 0.00 -1.41 0.00 0.00 60.65 59.16 3kwx s ILE 394 Cb -0.07 -0.49 -0.03 0.00 0.13 0.00 0.00 42.46 42.00 3kwx s ILE 394 CO 0.02 0.00 -0.13 0.00 -1.91 0.00 0.00 174.94 172.93 3kwx s ALA 395 N 0.30 1.19 0.10 1.50 0.00 -0.24 0.11 121.76 124.71 3kwx s ALA 395 Ca -0.01 -1.10 -0.18 0.00 0.00 0.00 0.00 51.96 50.66 3kwx s ALA 395 Cb -0.03 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.08 3kwx s ALA 395 CO -0.01 0.08 0.45 0.00 0.00 0.00 0.00 175.76 176.28 3kwx s MET 396 N -2.24 1.05 -0.02 0.00 0.23 -0.09 -1.87 119.30 116.37 3kwx s MET 396 Ca 0.02 -0.53 0.02 0.00 -1.03 0.00 0.00 55.69 54.17 3kwx s MET 396 Cb -0.07 0.47 0.00 0.00 -1.53 0.00 0.00 34.83 33.71 3kwx s MET 396 CO 0.02 -0.40 -0.07 0.50 -2.03 0.00 0.00 175.02 173.03 3kwx s ARG 397 N -3.28 0.76 -0.13 3.16 3.52 0.11 -0.50 118.95 122.58 3kwx s ARG 397 Ca -0.00 -0.23 -0.10 0.00 -0.13 0.00 0.00 55.73 55.27 3kwx s ARG 397 Cb 0.01 -0.73 0.04 0.00 -1.56 0.00 0.00 34.95 32.70 3kwx s ARG 397 CO -0.08 0.08 0.34 0.21 -0.81 0.00 0.00 175.30 175.04 3kwx s LYS 398 N 0.22 0.35 0.00 5.12 2.20 -0.53 -1.00 119.74 126.10 3kwx s LYS 398 Ca -0.03 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.16 3kwx s LYS 398 Cb -0.08 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.31 3kwx s LYS 398 CO 0.00 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.30 3kwx n GLY 399 N 3.58 3.60 3.70 5.54 0.00 -1.26 -0.18 105.19 120.16 3kwx n GLY 399 Ca -0.19 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 3kwx n GLY 399 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kwx n THR 400 N -0.94 2.13 -1.55 2.61 -1.04 -1.26 -4.32 114.28 109.91 3kwx n THR 400 Ca 0.00 -0.50 -0.52 0.00 -2.04 0.00 0.00 64.05 60.99 3kwx n THR 400 Cb 0.00 -1.56 -0.06 0.00 -1.82 0.00 0.00 70.33 66.90 3kwx n THR 400 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3kwx n ASP 401 N 0.64 0.95 0.00 8.00 9.92 -1.26 -0.36 116.55 134.44 3kwx n ASP 401 Ca 0.05 1.14 0.00 0.00 -0.53 0.00 0.00 54.79 55.45 3kwx n ASP 401 Cb 0.37 -1.12 0.00 0.00 -0.64 0.00 0.00 41.12 39.73 3kwx n ASP 401 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kwx n GLY 402 N 2.07 2.48 0.06 0.44 0.00 -1.26 -4.77 105.19 104.21 3kwx n GLY 402 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 3kwx n GLY 402 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kwx n SER 403 N 0.00 1.29 -4.78 1.61 7.64 0.52 -4.84 113.62 115.05 3kwx n SER 403 Ca 0.00 -1.88 -0.34 0.00 1.01 0.00 0.00 58.87 57.66 3kwx n SER 403 Cb 0.00 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 3kwx n SER 403 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kwx s GLN 404 N -0.90 3.33 -0.21 1.43 0.00 -1.05 -4.68 119.66 117.58 3kwx s GLN 404 Ca 0.05 1.51 -0.10 0.00 -0.00 0.00 0.00 55.36 56.82 3kwx s GLN 404 Cb 0.04 -2.01 -0.05 0.00 0.00 0.00 0.00 33.01 30.99 3kwx s GLN 404 CO 0.00 -0.85 0.13 0.42 0.00 0.00 0.00 175.29 174.99 3kwx s ILE 405 N -1.95 5.32 -0.15 3.63 1.01 0.75 -4.46 121.20 125.34 3kwx s ILE 405 Ca 0.70 0.16 0.02 0.00 0.00 0.00 0.00 60.65 61.53 3kwx s ILE 405 Cb -0.22 -3.44 0.01 0.00 0.01 0.00 0.00 42.46 38.83 3kwx s ILE 405 CO 0.29 0.42 -0.21 -0.69 0.00 0.00 0.00 174.94 174.75 3kwx s VAL 406 N 0.51 2.10 -0.12 2.92 1.01 -0.72 -1.45 120.40 124.64 3kwx s VAL 406 Ca 0.07 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.11 3kwx s VAL 406 Cb -0.12 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 3kwx s VAL 406 CO -0.00 0.54 -0.15 -0.89 0.00 0.00 0.00 175.10 174.60 3kwx s THR 407 N 0.97 2.87 -0.18 3.92 2.01 0.34 -0.42 115.64 125.15 3kwx s THR 407 Ca -0.03 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.23 3kwx s THR 407 Cb -0.15 -2.18 0.00 0.00 0.01 0.00 0.00 72.50 70.18 3kwx s THR 407 CO -0.05 0.53 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.65 3kwx s ILE 408 N 0.31 2.72 0.13 1.82 1.09 0.10 -0.91 121.20 126.46 3kwx s ILE 408 Ca -0.12 -0.73 0.10 0.00 -1.10 0.00 0.00 60.65 58.81 3kwx s ILE 408 Cb -0.16 -2.18 -0.04 0.00 -1.06 0.00 0.00 42.46 39.02 3kwx s ILE 408 CO 0.06 0.49 -0.25 -0.76 -0.10 0.00 0.00 174.94 174.39 3kwx s LEU 409 N 1.17 2.32 0.02 2.97 1.43 0.12 -0.83 118.68 125.88 3kwx s LEU 409 Ca 0.01 -0.74 0.01 0.00 -1.03 0.00 0.00 54.13 52.38 3kwx s LEU 409 Cb -0.14 -1.11 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 3kwx s LEU 409 CO -0.05 0.14 -0.04 -0.55 0.23 0.00 0.00 176.35 176.08 3kwx s SER 410 N -2.07 0.35 -0.33 2.29 0.15 -1.26 -0.79 113.70 112.05 3kwx s SER 410 Ca 0.12 -0.35 0.07 0.00 0.70 0.00 0.00 55.95 56.50 3kwx s SER 410 Cb -0.10 0.04 0.53 0.00 -1.71 0.00 0.00 66.02 64.79 3kwx s SER 410 CO 0.06 -0.17 1.55 -0.46 1.20 0.00 0.00 173.24 175.42 3kwx n ASN 411 N 2.07 2.84 0.20 5.45 6.94 -0.74 -4.68 115.26 127.35 3kwx n ASN 411 Ca -0.20 -3.77 0.08 0.00 -0.02 0.00 0.00 54.58 50.67 3kwx n ASN 411 Cb 0.56 -0.67 0.34 0.00 -2.36 0.00 0.00 39.78 37.65 3kwx n ASN 411 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 3kwx h LYS 412 N 1.06 0.00 0.00 -3.83 1.57 -1.86 -3.35 116.57 110.16 3kwx h LYS 412 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3kwx h LYS 412 Cb 1.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.15 3kwx h LYS 412 CO 0.55 0.28 0.00 0.41 -0.57 0.00 0.00 179.45 180.12 3kwx n GLY 413 N 0.44 -2.51 0.08 3.86 0.00 -1.26 -4.15 105.19 101.65 3kwx n GLY 413 Ca 0.01 -1.67 0.13 0.00 0.00 0.00 0.00 46.02 44.48 3kwx n GLY 413 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwx n ALA 414 N -0.24 2.15 -0.99 4.61 0.00 -1.26 -1.97 120.51 122.81 3kwx n ALA 414 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.48 3kwx n ALA 414 Cb 0.00 -1.44 0.32 0.00 0.00 0.00 0.00 19.45 18.33 3kwx n ALA 414 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kwx n SER 415 N -2.08 4.70 -4.73 0.00 3.41 -1.26 -4.70 113.62 108.96 3kwx n SER 415 Ca 0.05 -3.04 -0.34 0.00 -0.26 0.00 0.00 58.87 55.28 3kwx n SER 415 Cb 0.37 -0.63 0.08 0.00 -0.26 0.00 0.00 64.21 63.76 3kwx n SER 415 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3kwx s GLY 416 N -1.40 2.36 0.46 5.00 0.00 -1.01 -4.95 107.32 107.77 3kwx s GLY 416 Ca 0.49 0.84 -0.20 0.00 0.00 0.00 0.00 44.72 45.85 3kwx s GLY 416 CO 0.12 1.24 0.99 0.51 0.00 0.00 0.00 173.10 175.95 3kwx s ASP 417 N -2.08 6.67 0.39 1.64 -4.77 -1.26 -3.35 116.67 113.93 3kwx s ASP 417 Ca 0.73 1.77 -0.23 0.00 -3.30 0.00 0.00 52.55 51.52 3kwx s ASP 417 Cb -0.28 -2.54 -0.10 0.00 -1.09 0.00 0.00 42.92 38.90 3kwx s ASP 417 CO 0.43 -0.55 0.97 -0.44 0.70 0.00 0.00 175.17 176.28 3kwx s SER 418 N -2.19 7.01 0.00 2.11 0.01 -1.26 -4.32 113.70 115.06 3kwx s SER 418 Ca 0.64 1.80 0.00 0.00 1.31 0.00 0.00 55.95 59.69 3kwx s SER 418 Cb -0.12 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.55 3kwx s SER 418 CO 0.17 -0.30 0.00 0.00 0.41 0.00 0.00 173.24 173.52 3kwx n TYR 419 N -0.19 0.00 -5.05 2.43 4.11 -0.25 -5.00 117.16 113.22 3kwx n TYR 419 Ca 0.05 0.00 -0.29 0.00 -0.00 0.00 0.00 57.90 57.67 3kwx n TYR 419 Cb 0.52 0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.70 3kwx n TYR 419 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 3kwx s THR 420 N -2.00 1.73 -0.12 -3.48 2.01 -1.26 0.04 115.64 112.56 3kwx s THR 420 Ca 0.00 -0.90 -0.00 0.00 0.31 0.00 0.00 61.69 61.10 3kwx s THR 420 Cb 0.00 -1.47 -0.02 0.00 0.01 0.00 0.00 72.50 71.02 3kwx s THR 420 CO 0.00 0.49 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.08 3kwx s LEU 421 N -0.14 2.79 -0.36 4.42 2.96 0.26 -4.92 118.68 123.69 3kwx s LEU 421 Ca -0.02 -0.29 -0.15 0.00 -0.22 0.00 0.00 54.13 53.46 3kwx s LEU 421 Cb -0.12 -1.63 -0.00 0.00 0.50 0.00 0.00 46.19 44.94 3kwx s LEU 421 CO 0.02 0.19 0.36 -0.55 -1.32 0.00 0.00 176.35 175.04 3kwx s SER 422 N 0.23 6.16 -0.42 3.68 0.15 -1.26 0.62 113.70 122.87 3kwx s SER 422 Ca -0.08 -0.40 -0.13 0.00 0.70 0.00 0.00 55.95 56.04 3kwx s SER 422 Cb -0.15 -2.19 0.05 0.00 -1.71 0.00 0.00 66.02 62.02 3kwx s SER 422 CO 0.05 -0.38 0.30 -0.22 1.20 0.00 0.00 173.24 174.19 3kwx s LEU 423 N 1.98 5.20 0.02 3.45 2.96 0.21 -4.83 118.68 127.67 3kwx s LEU 423 Ca 0.11 -1.21 -0.22 0.00 -0.22 0.00 0.00 54.13 52.59 3kwx s LEU 423 Cb -0.17 -2.10 -0.06 0.00 0.50 0.00 0.00 46.19 44.37 3kwx s LEU 423 CO 0.12 -0.52 0.64 -0.94 -1.32 0.00 0.00 176.35 174.33 3kwx s SER 424 N 2.06 7.05 0.00 3.68 1.04 -1.26 -2.06 113.70 124.21 3kwx s SER 424 Ca 0.03 1.26 0.00 0.00 0.48 0.00 0.00 55.95 57.72 3kwx s SER 424 Cb -0.22 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.51 3kwx s SER 424 CO 0.06 0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.99 3kwx n GLY 425 N 2.35 1.73 0.38 7.32 0.00 -1.26 -4.81 105.19 110.91 3kwx n GLY 425 Ca -0.06 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.12 3kwx n GLY 425 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwx h ALA 426 N 0.00 2.08 -0.49 4.61 0.00 -1.93 -3.46 119.26 120.08 3kwx h ALA 426 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3kwx h ALA 426 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3kwx h ALA 426 CO 0.00 -0.31 -0.11 0.41 0.00 0.00 0.00 179.25 179.24 3kwx n GLY 427 N -1.51 0.44 3.86 0.00 0.00 -1.26 -5.02 105.19 101.70 3kwx n GLY 427 Ca 0.16 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 3kwx n GLY 427 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kwx s TYR 428 N -2.22 3.45 0.29 1.61 2.02 -1.26 -4.72 117.35 116.52 3kwx s TYR 428 Ca 0.00 1.02 -0.29 0.00 -0.37 0.00 0.00 57.07 57.43 3kwx s TYR 428 Cb 0.00 -2.37 -0.10 0.00 -0.40 0.00 0.00 41.96 39.09 3kwx s TYR 428 CO 0.00 0.25 1.20 0.95 -1.57 0.00 0.00 175.55 176.38 3kwx s THR 429 N -1.79 3.16 0.38 -0.71 -4.23 -1.26 -4.95 115.64 106.23 3kwx s THR 429 Ca 0.47 1.14 -0.27 0.00 -1.18 0.00 0.00 61.69 61.86 3kwx s THR 429 Cb -0.12 -3.73 -0.11 0.00 1.34 0.00 0.00 72.50 69.88 3kwx s THR 429 CO 0.20 0.26 1.26 0.00 -0.54 0.00 0.00 174.62 175.80 3kwx n ALA 430 N 1.17 1.23 -0.75 3.99 0.00 -1.26 -1.22 120.51 123.67 3kwx n ALA 430 Ca -0.00 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3kwx n ALA 430 Cb 0.43 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3kwx n ALA 430 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kwx n GLY 431 N 0.81 0.56 3.76 0.00 0.00 0.13 -4.95 105.19 105.50 3kwx n GLY 431 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3kwx n GLY 431 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kwx s GLN 432 N -0.46 3.68 -0.19 1.61 0.74 -0.36 -4.49 119.66 120.19 3kwx s GLN 432 Ca 0.00 2.23 -0.14 0.00 0.05 0.00 0.00 55.36 57.50 3kwx s GLN 432 Cb 0.00 -2.59 -0.04 0.00 1.10 0.00 0.00 33.01 31.48 3kwx s GLN 432 CO 0.00 -0.76 0.30 -1.14 -0.55 0.00 0.00 175.29 173.15 3kwx s GLN 433 N -2.49 4.19 0.04 1.67 0.74 -1.26 0.12 119.66 122.67 3kwx s GLN 433 Ca 0.62 0.05 0.08 0.00 0.05 0.00 0.00 55.36 56.16 3kwx s GLN 433 Cb -0.40 -3.49 -0.03 0.00 1.10 0.00 0.00 33.01 30.19 3kwx s GLN 433 CO 0.50 0.10 -0.21 -0.51 -0.55 0.00 0.00 175.29 174.62 3kwx s LEU 434 N 0.91 2.47 -0.11 3.68 1.43 0.88 -1.27 118.68 126.68 3kwx s LEU 434 Ca 0.15 -0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 52.69 3kwx s LEU 434 Cb -0.14 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 3kwx s LEU 434 CO 0.05 0.25 0.17 -0.89 0.23 0.00 0.00 176.35 176.17 3kwx s THR 435 N -0.90 5.45 -0.44 5.49 2.01 -0.30 -0.82 115.64 126.14 3kwx s THR 435 Ca 0.14 0.28 -0.18 0.00 0.31 0.00 0.00 61.69 62.24 3kwx s THR 435 Cb -0.10 -3.44 0.03 0.00 0.01 0.00 0.00 72.50 69.00 3kwx s THR 435 CO 0.04 0.61 0.50 -0.70 -0.69 0.00 0.00 174.62 174.39 3kwx s GLU 436 N -1.01 3.13 0.00 4.92 -6.30 -0.04 -1.71 118.70 117.69 3kwx s GLU 436 Ca 0.16 -0.74 0.28 0.00 -2.50 0.00 0.00 54.97 52.17 3kwx s GLU 436 Cb -0.13 -3.99 1.08 0.00 0.00 0.00 0.00 34.13 31.09 3kwx s GLU 436 CO 0.05 -0.95 1.77 1.33 0.02 0.00 0.00 175.26 177.48 3kwx n VAL 437 N 5.53 0.00 -0.04 3.70 0.24 0.00 -0.64 118.33 127.12 3kwx n VAL 437 Ca -0.06 -0.07 -0.01 0.00 -2.04 0.00 0.00 64.34 62.15 3kwx n VAL 437 Cb 0.47 0.03 -0.00 0.00 -1.47 0.00 0.00 33.84 32.86 3kwx n VAL 437 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 3kwx h ILE 438 N 0.68 0.00 -0.00 1.34 1.08 -1.91 -3.39 117.51 115.31 3kwx h ILE 438 Ca 0.00 -0.75 0.00 0.00 -0.39 0.00 0.00 64.86 63.72 3kwx h ILE 438 Cb 0.41 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.16 3kwx h ILE 438 CO 0.00 0.00 -0.15 0.61 -0.69 0.00 0.00 178.15 177.92 3kwx n GLY 439 N 1.76 -1.37 3.11 5.37 0.00 -1.25 -4.97 105.19 107.84 3kwx n GLY 439 Ca -0.02 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 3kwx n GLY 439 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwx s THR 441 N -3.33 1.44 0.19 0.00 -4.23 -1.05 -4.96 115.64 103.71 3kwx s THR 441 Ca 0.14 -1.85 0.10 0.00 -1.18 0.00 0.00 61.69 58.90 3kwx s THR 441 Cb -0.02 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.48 3kwx s THR 441 CO 0.65 0.00 -0.21 0.42 -0.54 0.00 0.00 174.62 174.94 3kwx s THR 442 N -2.82 2.12 0.04 3.99 -4.23 -1.26 -0.86 115.64 112.62 3kwx s THR 442 Ca 0.18 -2.03 -0.05 0.00 -1.18 0.00 0.00 61.69 58.61 3kwx s THR 442 Cb 0.02 -2.02 -0.01 0.00 1.34 0.00 0.00 72.50 71.82 3kwx s THR 442 CO 0.10 -0.24 0.08 0.68 -0.54 0.00 0.00 174.62 174.70 3kwx s VAL 443 N -1.95 0.13 -0.09 2.29 -7.23 0.00 -4.92 120.40 108.63 3kwx s VAL 443 Ca 0.20 -1.09 -0.00 0.00 -1.81 0.00 0.00 61.98 59.27 3kwx s VAL 443 Cb -0.06 -0.85 -0.03 0.00 0.56 0.00 0.00 36.38 36.00 3kwx s VAL 443 CO 0.09 -0.60 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.32 3kwx s THR 444 N -2.52 3.70 0.32 5.32 2.01 -1.26 -0.08 115.64 123.13 3kwx s THR 444 Ca -0.06 -0.46 -0.29 0.00 0.31 0.00 0.00 61.69 61.19 3kwx s THR 444 Cb -0.02 -2.54 -0.10 0.00 0.01 0.00 0.00 72.50 69.85 3kwx s THR 444 CO -0.04 0.57 1.33 -0.69 -0.69 0.00 0.00 174.62 175.09 3kwx s VAL 445 N -0.46 2.72 1.10 3.82 1.01 0.12 -4.44 120.40 124.26 3kwx s VAL 445 Ca 0.07 0.70 -0.14 0.00 0.00 0.00 0.00 61.98 62.61 3kwx s VAL 445 Cb -0.12 -3.45 0.24 0.00 0.00 0.00 0.00 36.38 33.05 3kwx s VAL 445 CO 0.02 0.16 1.07 -0.83 0.00 0.00 0.00 175.10 175.52 3kwx s GLY 446 N -0.34 1.55 0.10 4.51 0.00 0.64 -0.69 107.32 113.09 3kwx s GLY 446 Ca 0.51 -0.46 -0.00 0.00 0.00 0.00 0.00 44.72 44.76 3kwx s GLY 446 CO 0.51 0.25 1.22 1.76 0.00 0.00 0.00 173.10 176.84 3kwx h SER 447 N -2.26 0.28 0.00 1.64 0.02 -1.94 -3.04 113.55 108.25 3kwx h SER 447 Ca -0.55 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.12 3kwx h SER 447 Cb 1.33 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.78 3kwx h SER 447 CO 0.51 1.20 0.00 -0.90 -1.14 0.00 0.00 176.83 176.50 3kwx n ASP 448 N -3.50 0.00 0.00 3.07 5.68 -1.26 -4.83 116.55 115.71 3kwx n ASP 448 Ca -0.05 -0.28 0.00 0.00 -0.50 0.00 0.00 54.79 53.96 3kwx n ASP 448 Cb 0.96 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.94 3kwx n ASP 448 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kwx n GLY 449 N -0.47 2.18 3.31 6.12 0.00 -1.16 -5.02 105.19 110.14 3kwx n GLY 449 Ca 0.05 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 3kwx n GLY 449 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kwx n ASN 450 N 2.00 -3.01 -4.38 1.61 4.13 -1.26 -4.28 115.26 110.07 3kwx n ASN 450 Ca 0.00 0.37 -0.34 0.00 1.68 0.00 0.00 54.58 56.30 3kwx n ASN 450 Cb 0.00 -1.07 -0.14 0.00 -1.54 0.00 0.00 39.78 37.03 3kwx n ASN 450 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3kwx s VAL 451 N -2.15 3.31 -0.91 2.41 1.01 -0.87 -0.26 120.40 122.94 3kwx s VAL 451 Ca 0.54 -0.55 -0.23 0.00 0.00 0.00 0.00 61.98 61.74 3kwx s VAL 451 Cb -0.25 -2.44 0.06 0.00 0.00 0.00 0.00 36.38 33.75 3kwx s VAL 451 CO 0.69 0.49 1.33 -2.16 0.00 0.00 0.00 175.10 175.45 3kwx s PRO 452 N 0.66 3.45 -0.41 2.72 0.05 -1.26 -0.61 135.00 139.60 3kwx s PRO 452 Ca -0.05 -0.95 -0.20 0.00 0.05 0.00 0.00 61.00 59.86 3kwx s PRO 452 Cb -0.15 -4.91 0.02 0.00 0.05 0.00 0.00 34.50 29.51 3kwx s PRO 452 CO 0.02 -2.11 0.58 0.08 0.05 0.00 0.00 177.00 175.63 3kwx s VAL 453 N 4.83 4.91 -0.04 -0.36 1.01 0.20 -4.88 120.40 126.07 3kwx s VAL 453 Ca 0.40 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 3kwx s VAL 453 Cb -0.04 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 3kwx s VAL 453 CO -0.02 -0.47 1.43 -2.84 0.00 0.00 0.00 175.10 173.20 3kwx s PRO 454 N 2.62 4.25 -0.13 2.72 0.02 -1.26 -0.57 135.00 142.65 3kwx s PRO 454 Ca 0.20 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.19 3kwx s PRO 454 Cb -0.15 -3.68 -0.01 0.00 0.02 0.00 0.00 34.50 30.68 3kwx s PRO 454 CO 0.17 -0.65 -0.14 -1.64 -0.33 0.00 0.00 177.00 174.40 3kwx s MET 455 N 2.89 3.34 -0.14 5.54 -1.94 0.11 -4.97 119.30 124.13 3kwx s MET 455 Ca 0.64 -0.71 -0.20 0.00 -1.71 0.00 0.00 55.69 53.71 3kwx s MET 455 Cb -0.30 -2.59 0.05 0.00 2.01 0.00 0.00 34.83 34.00 3kwx s MET 455 CO 0.25 0.21 0.51 0.00 -0.01 0.00 0.00 175.02 175.99 3kwx s ALA 456 N 0.35 -1.29 -1.38 3.03 0.00 -1.26 -1.09 121.76 120.11 3kwx s ALA 456 Ca -0.12 1.23 -0.06 0.00 0.00 0.00 0.00 51.96 53.01 3kwx s ALA 456 Cb -0.16 -0.53 0.04 0.00 0.00 0.00 0.00 23.12 22.47 3kwx s ALA 456 CO 0.06 -0.27 0.48 0.41 0.00 0.00 0.00 175.76 176.44 3kwx n GLY 457 N 2.16 -0.50 2.05 0.00 0.00 -1.21 -1.55 105.19 106.14 3kwx n GLY 457 Ca -0.16 0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 3kwx n GLY 457 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kwx n GLY 458 N -1.28 1.08 3.78 -0.02 0.00 -0.83 -4.29 105.19 103.64 3kwx n GLY 458 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3kwx n GLY 458 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kwx s LEU 459 N -3.93 3.81 0.44 0.99 1.43 -0.59 -4.61 118.68 116.22 3kwx s LEU 459 Ca 0.00 2.09 -0.23 0.00 -1.03 0.00 0.00 54.13 54.96 3kwx s LEU 459 Cb 0.00 -4.54 -0.08 0.00 0.03 0.00 0.00 46.19 41.60 3kwx s LEU 459 CO 0.00 -1.02 1.11 -2.84 0.23 0.00 0.00 176.35 173.83 3kwx s PRO 460 N -3.21 3.91 -0.06 1.29 0.02 -1.26 -4.68 135.00 131.00 3kwx s PRO 460 Ca 0.70 1.63 0.03 0.00 0.02 0.00 0.00 61.00 63.37 3kwx s PRO 460 Cb -0.21 -2.41 0.01 0.00 0.02 0.00 0.00 34.50 31.90 3kwx s PRO 460 CO 0.25 -0.39 -0.15 1.03 -0.33 0.00 0.00 177.00 177.41 3kwx s ARG 461 N -2.69 1.81 -0.21 5.54 1.81 -0.01 -4.84 118.95 120.36 3kwx s ARG 461 Ca 0.62 -0.51 -0.00 0.00 -1.72 0.00 0.00 55.73 54.11 3kwx s ARG 461 Cb -0.25 -1.50 0.06 0.00 -0.45 0.00 0.00 34.95 32.80 3kwx s ARG 461 CO 0.30 0.12 -0.03 0.08 -0.68 0.00 0.00 175.30 175.09 3kwx s VAL 462 N 0.40 1.19 -0.01 3.52 1.01 -1.26 0.03 120.40 125.28 3kwx s VAL 462 Ca -0.11 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 3kwx s VAL 462 Cb -0.14 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3kwx s VAL 462 CO 0.04 -0.07 0.19 -0.76 0.00 0.00 0.00 175.10 174.49 3kwx s LEU 463 N 1.56 4.37 -0.28 3.92 1.43 0.44 -0.82 118.68 129.31 3kwx s LEU 463 Ca -0.03 0.38 -0.21 0.00 -1.03 0.00 0.00 54.13 53.25 3kwx s LEU 463 Cb -0.18 -2.60 0.09 0.00 0.03 0.00 0.00 46.19 43.54 3kwx s LEU 463 CO -0.07 0.27 0.81 -0.47 0.23 0.00 0.00 176.35 177.11 3kwx s TYR 464 N -1.31 -0.79 -0.39 0.29 5.04 -0.69 -1.76 117.35 117.73 3kwx s TYR 464 Ca 0.27 1.74 -0.39 0.00 -2.44 0.00 0.00 57.07 56.25 3kwx s TYR 464 Cb -0.13 0.42 -0.14 0.00 0.35 0.00 0.00 41.96 42.46 3kwx s TYR 464 CO 0.18 -0.39 2.11 -2.30 -1.34 0.00 0.00 175.55 173.81 3kwx n PRO 465 N 3.32 0.74 -0.35 4.97 -0.02 -1.26 -1.15 135.00 141.24 3kwx n PRO 465 Ca -0.16 0.21 0.10 0.00 -2.02 0.00 0.00 63.50 61.63 3kwx n PRO 465 Cb 0.57 -2.11 0.27 0.00 -0.02 0.00 0.00 33.50 32.21 3kwx n PRO 465 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3kwx h THR 466 N 6.80 0.81 -0.08 3.45 2.02 -1.49 0.25 112.91 124.67 3kwx h THR 466 Ca -0.25 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 3kwx h THR 466 Cb 1.35 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3kwx h THR 466 CO 1.03 0.16 0.00 1.05 0.37 0.00 0.00 175.52 178.13 3kwx h GLU 467 N 0.87 0.11 0.00 6.66 4.11 -1.89 -2.34 114.58 122.11 3kwx h GLU 467 Ca 0.53 -0.01 -0.05 0.00 0.07 0.00 0.00 59.36 59.90 3kwx h GLU 467 Cb 0.68 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3kwx h GLU 467 CO -0.32 0.13 -0.25 0.87 0.07 0.00 0.00 179.01 179.50 3kwx h LYS 468 N 0.11 0.00 0.00 1.06 1.79 -0.86 -3.05 116.57 115.63 3kwx h LYS 468 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 3kwx h LYS 468 Cb 0.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 3kwx h LYS 468 CO 0.00 0.25 0.00 1.28 -1.08 0.00 0.00 179.45 179.90 3kwx n LEU 469 N -3.43 0.00 -4.69 2.94 4.77 -0.88 -4.87 117.00 110.84 3kwx n LEU 469 Ca 0.00 0.21 -0.53 0.00 -0.03 0.00 0.00 56.01 55.67 3kwx n LEU 469 Cb 0.44 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 3kwx n LEU 469 CO 0.34 -0.04 1.37 0.00 -1.33 0.00 0.00 177.39 177.73 3kwx n ALA 470 N -1.21 0.32 -0.27 -1.18 0.00 -1.15 -0.90 120.51 116.11 3kwx n ALA 470 Ca 0.14 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3kwx n ALA 470 Cb 0.17 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.28 3kwx n ALA 470 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kwx n GLY 471 N 4.16 1.27 3.88 0.00 0.00 -1.26 -5.04 105.19 108.20 3kwx n GLY 471 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 3kwx n GLY 471 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kwx s SER 472 N -3.07 6.31 0.00 1.61 1.04 -0.08 -4.95 113.70 114.56 3kwx s SER 472 Ca 0.00 1.22 0.18 0.00 0.48 0.00 0.00 55.95 57.82 3kwx s SER 472 Cb 0.00 -2.37 0.89 0.00 0.10 0.00 0.00 66.02 64.63 3kwx s SER 472 CO 0.00 -0.68 1.59 0.29 0.98 0.00 0.00 173.24 175.42 3kwx n LYS 473 N -2.30 1.25 -2.51 4.02 5.02 -1.26 -4.85 118.16 117.54 3kwx n LYS 473 Ca 0.04 -0.38 -0.43 0.00 -2.02 0.00 0.00 58.31 55.52 3kwx n LYS 473 Cb 0.54 -1.30 -0.02 0.00 -0.02 0.00 0.00 35.03 34.23 3kwx n LYS 473 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kwx s ILE 474 N -1.92 4.39 -0.85 -0.18 1.01 -1.26 -4.22 121.20 118.16 3kwx s ILE 474 Ca 0.27 1.69 -0.03 0.00 0.00 0.00 0.00 60.65 62.58 3kwx s ILE 474 Cb 0.13 -4.09 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 3kwx s ILE 474 CO 0.21 -0.05 0.77 0.00 0.00 0.00 0.00 174.94 175.86