#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xkx s ILE 13 N 0.00 3.90 0.06 1.69 -4.36 -1.26 -5.08 121.20 116.15 1xkx s ILE 13 Ca 0.00 -1.26 -0.21 0.00 -0.26 0.00 0.00 60.65 58.92 1xkx s ILE 13 Cb 0.00 -2.94 -0.09 0.00 1.25 0.00 0.00 42.46 40.68 1xkx s ILE 13 CO 0.00 -0.05 1.32 -1.28 0.24 0.00 0.00 174.94 175.18 1xkx h SER 14 N 2.86 -0.88 0.00 4.36 0.87 -1.97 -3.02 113.55 115.77 1xkx h SER 14 Ca -0.47 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1xkx h SER 14 Cb 1.19 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 1xkx h SER 14 CO 0.59 -0.36 0.16 1.33 -0.53 0.00 0.00 176.83 178.02 1xkx n VAL 15 N -4.20 1.04 0.50 2.23 0.24 -1.26 -1.73 118.33 115.16 1xkx n VAL 15 Ca -0.06 0.42 0.06 0.00 -2.04 0.00 0.00 64.34 62.72 1xkx n VAL 15 Cb 0.26 -1.42 0.19 0.00 -1.47 0.00 0.00 33.84 31.40 1xkx n VAL 15 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1xkx n ARG 16 N -1.23 2.25 0.00 7.34 1.74 -1.14 -5.04 116.66 120.57 1xkx n ARG 16 Ca 0.00 -1.56 0.00 0.00 -0.77 0.00 0.00 57.85 55.52 1xkx n ARG 16 Cb 0.16 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1xkx n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xkx n GLY 17 N 0.98 -1.11 3.87 -0.13 0.00 -0.70 -0.85 105.19 107.24 1xkx n GLY 17 Ca 0.14 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 1xkx n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xkx s LEU 18 N -1.88 4.14 -0.84 0.99 2.01 -1.26 -4.62 118.68 117.23 1xkx s LEU 18 Ca 0.00 0.99 0.01 0.00 0.01 0.00 0.00 54.13 55.14 1xkx s LEU 18 Cb 0.00 -3.76 0.29 0.00 0.01 0.00 0.00 46.19 42.73 1xkx s LEU 18 CO 0.00 -0.11 1.17 0.00 1.01 0.00 0.00 176.35 178.42 1xkx n ALA 19 N -0.22 4.80 -1.71 4.21 0.00 -1.26 -3.76 120.51 122.57 1xkx n ALA 19 Ca 0.01 -4.76 -0.38 0.00 0.00 0.00 0.00 53.44 48.31 1xkx n ALA 19 Cb 0.53 -1.55 0.05 0.00 0.00 0.00 0.00 19.45 18.48 1xkx n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xkx n GLY 20 N 0.75 0.50 0.11 0.00 0.00 -1.26 -4.84 105.19 100.45 1xkx n GLY 20 Ca 0.31 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 1xkx n GLY 20 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xkx h VAL 21 N 1.03 0.84 -0.43 1.61 2.07 -1.99 -0.79 116.25 118.58 1xkx h VAL 21 Ca -0.50 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 1xkx h VAL 21 Cb 1.33 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1xkx h VAL 21 CO 0.55 0.00 0.11 -0.33 0.02 0.00 0.00 177.57 177.92 1xkx h GLU 22 N -0.16 0.69 -0.31 1.57 3.07 -2.00 -2.71 114.58 114.73 1xkx h GLU 22 Ca 0.00 -0.16 -0.13 0.00 -0.50 0.00 0.00 59.36 58.57 1xkx h GLU 22 Cb 0.15 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1xkx h GLU 22 CO -0.01 0.69 -0.34 -0.91 -1.40 0.00 0.00 179.01 177.04 1xkx h ASN 23 N 0.57 0.72 -0.49 1.42 4.21 -1.92 -0.85 115.58 119.23 1xkx h ASN 23 Ca 0.14 -0.30 -0.08 0.00 1.21 0.00 0.00 56.30 57.27 1xkx h ASN 23 Cb 0.30 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 37.28 1xkx h ASN 23 CO 0.00 1.00 0.02 0.58 -1.29 0.00 0.00 177.43 177.74 1xkx h VAL 24 N 0.58 1.25 -0.43 2.81 2.07 -1.14 0.46 116.25 121.85 1xkx h VAL 24 Ca 0.06 -1.03 -0.09 0.00 0.82 0.00 0.00 66.70 66.46 1xkx h VAL 24 Cb 0.85 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1xkx h VAL 24 CO 0.07 0.37 -0.09 0.74 0.02 0.00 0.00 177.57 178.69 1xkx h THR 25 N 0.84 1.27 -0.44 2.57 2.02 -1.30 -1.94 112.91 115.94 1xkx h THR 25 Ca 0.16 -1.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.12 1xkx h THR 25 Cb 0.46 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1xkx h THR 25 CO 0.02 0.40 0.11 -0.08 0.37 0.00 0.00 175.52 176.34 1xkx h GLU 26 N 0.65 0.71 -0.38 6.66 4.57 -0.86 -2.48 114.58 123.45 1xkx h GLU 26 Ca 0.11 -0.17 0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1xkx h GLU 26 Cb 0.62 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 1xkx h GLU 26 CO 0.04 0.71 0.21 -0.07 -1.18 0.00 0.00 179.01 178.73 1xkx h LEU 27 N 0.58 0.34 -0.48 1.64 4.07 -0.81 -1.39 115.31 119.27 1xkx h LEU 27 Ca 0.14 0.01 0.01 0.00 0.08 0.00 0.00 57.88 58.12 1xkx h LEU 27 Cb 0.32 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 41.97 1xkx h LEU 27 CO 0.00 0.25 0.31 0.11 -1.08 0.00 0.00 178.44 178.03 1xkx h LYS 28 N 0.44 0.60 -0.34 1.13 1.57 -1.23 0.17 116.57 118.92 1xkx h LYS 28 Ca 0.15 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.77 1xkx h LYS 28 Cb 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1xkx h LYS 28 CO -0.08 0.40 -0.30 1.57 -0.57 0.00 0.00 179.45 180.47 1xkx h LYS 29 N 0.62 0.72 -0.02 3.15 2.10 -1.25 -1.36 116.57 120.53 1xkx h LYS 29 Ca 0.18 -0.32 -0.12 0.00 -2.00 0.00 0.00 60.65 58.39 1xkx h LYS 29 Cb -0.04 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.26 1xkx h LYS 29 CO -0.06 0.93 -0.54 -0.91 -2.00 0.00 0.00 179.45 176.87 1xkx h ASN 30 N 0.61 0.07 -0.24 7.07 2.35 -0.98 0.90 115.58 125.36 1xkx h ASN 30 Ca 0.07 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1xkx h ASN 30 Cb 0.82 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 1xkx h ASN 30 CO 0.07 0.60 0.07 0.15 -1.65 0.00 0.00 177.43 176.67 1xkx h PHE 31 N 0.05 0.40 -0.19 1.19 3.57 -0.33 -0.85 116.94 120.78 1xkx h PHE 31 Ca -0.00 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.35 1xkx h PHE 31 Cb 0.97 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1xkx h PHE 31 CO 0.00 0.45 -0.34 -0.91 -2.23 0.00 0.00 178.31 175.29 1xkx h ASN 32 N 0.23 0.39 0.02 0.41 2.35 -0.99 -1.44 115.58 116.54 1xkx h ASN 32 Ca 0.08 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1xkx h ASN 32 Cb 0.24 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1xkx h ASN 32 CO -0.00 0.71 -0.01 -0.09 -1.65 0.00 0.00 177.43 176.39 1xkx h ARG 33 N 0.33 -0.02 -0.65 0.81 1.12 -0.53 -2.09 114.38 113.35 1xkx h ARG 33 Ca 0.04 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.84 1xkx h ARG 33 Cb 0.76 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.70 1xkx h ARG 33 CO 0.06 0.06 0.11 0.45 -3.11 0.00 0.00 179.97 177.54 1xkx h HIS 34 N -0.10 1.14 -0.69 2.20 3.86 -1.02 0.99 115.15 121.53 1xkx h HIS 34 Ca -0.00 -0.15 0.06 0.00 -1.16 0.00 0.00 60.37 59.11 1xkx h HIS 34 Cb 0.09 -0.31 -0.04 0.00 1.06 0.00 0.00 27.41 28.21 1xkx h HIS 34 CO -0.05 0.96 0.46 1.25 0.86 0.00 0.00 177.93 181.40 1xkx h LEU 35 N 0.99 0.65 0.00 2.43 5.85 -1.12 0.12 115.31 124.23 1xkx h LEU 35 Ca 0.20 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1xkx h LEU 35 Cb 0.43 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1xkx h LEU 35 CO 0.01 0.43 -0.01 -0.74 -0.34 0.00 0.00 178.44 177.79 1xkx h HIS 36 N 0.74 0.00 -0.22 1.25 2.76 -1.00 -1.95 115.15 116.73 1xkx h HIS 36 Ca 0.29 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.31 1xkx h HIS 36 Cb 0.21 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 1xkx h HIS 36 CO -0.00 0.00 -0.47 0.74 -1.30 0.00 0.00 177.93 176.90 1xkx h PHE 37 N -0.09 0.72 0.07 5.26 0.04 -0.88 -1.21 116.94 120.86 1xkx h PHE 37 Ca 0.00 -0.23 -0.27 0.00 2.80 0.00 0.00 57.97 60.27 1xkx h PHE 37 Cb 0.01 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 37.99 1xkx h PHE 37 CO -0.00 0.95 -1.42 1.15 -0.60 0.00 0.00 178.31 178.39 1xkx h THR 38 N 0.47 0.94 0.00 -1.55 2.02 -0.97 -3.39 112.91 110.43 1xkx h THR 38 Ca 0.03 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.89 1xkx h THR 38 Cb 1.00 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.95 1xkx h THR 38 CO 0.09 0.61 -0.97 0.18 0.37 0.00 0.00 175.52 175.80 1xkx n LEU 39 N -4.03 0.62 -3.50 2.58 4.32 -0.03 -4.99 117.00 111.98 1xkx n LEU 39 Ca -0.28 0.03 -0.23 0.00 -0.02 0.00 0.00 56.01 55.50 1xkx n LEU 39 Cb 0.84 -0.11 0.05 0.00 -1.62 0.00 0.00 43.42 42.59 1xkx n LEU 39 CO 0.34 0.02 -0.03 0.52 -1.22 0.00 0.00 177.39 177.02 1xkx n VAL 40 N -2.01 -7.13 -3.96 4.08 0.31 -0.46 -4.99 118.33 104.19 1xkx n VAL 40 Ca 0.02 -1.07 -0.08 0.00 -0.01 0.00 0.00 64.34 63.19 1xkx n VAL 40 Cb 0.44 -5.22 -0.08 0.00 -0.91 0.00 0.00 33.84 28.07 1xkx n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1xkx s LYS 41 N -5.30 0.78 0.43 5.55 -0.14 -0.75 -5.03 119.74 115.28 1xkx s LYS 41 Ca 0.41 -1.08 0.05 0.00 -1.36 0.00 0.00 55.97 53.99 1xkx s LYS 41 Cb -0.10 0.29 -0.06 0.00 -1.68 0.00 0.00 37.83 36.28 1xkx s LYS 41 CO 0.80 -0.22 0.02 0.16 -0.76 0.00 0.00 175.35 175.35 1xkx s ASP 42 N -2.90 3.73 0.00 2.83 1.47 -1.26 -3.92 116.67 116.62 1xkx s ASP 42 Ca 0.07 -1.45 0.05 0.00 1.18 0.00 0.00 52.55 52.40 1xkx s ASP 42 Cb 0.06 -0.10 0.23 0.00 -0.34 0.00 0.00 42.92 42.77 1xkx s ASP 42 CO -0.09 -0.59 1.16 0.54 0.68 0.00 0.00 175.17 176.87 1xkx n ARG 43 N -1.01 0.01 0.11 2.11 5.12 -1.26 -2.22 116.66 119.52 1xkx n ARG 43 Ca -0.08 0.40 0.10 0.00 -1.93 0.00 0.00 57.85 56.34 1xkx n ARG 43 Cb 0.67 -1.50 0.01 0.00 -1.16 0.00 0.00 32.46 30.48 1xkx n ARG 43 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 1xkx h ASN 44 N 0.00 0.00 0.00 0.55 2.35 -2.05 -3.38 115.58 113.06 1xkx h ASN 44 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1xkx h ASN 44 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1xkx h ASN 44 CO 0.00 0.07 0.00 1.33 -1.65 0.00 0.00 177.43 177.18 1xkx n VAL 45 N -2.76 0.05 -2.31 2.81 0.24 -1.07 -5.05 118.33 110.24 1xkx n VAL 45 Ca -0.00 -0.45 -0.41 0.00 -2.04 0.00 0.00 64.34 61.44 1xkx n VAL 45 Cb 0.58 1.12 -0.03 0.00 -1.47 0.00 0.00 33.84 34.04 1xkx n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xkx s ALA 46 N -0.05 3.45 0.39 2.33 0.00 -0.94 -4.94 121.76 122.00 1xkx s ALA 46 Ca 0.00 1.06 0.08 0.00 0.00 0.00 0.00 51.96 53.10 1xkx s ALA 46 Cb 0.00 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 1xkx s ALA 46 CO 0.00 -0.39 0.27 0.95 0.00 0.00 0.00 175.76 176.60 1xkx s THR 47 N -1.08 2.76 0.43 0.00 -4.23 -1.26 -4.97 115.64 107.28 1xkx s THR 47 Ca 0.47 -1.50 0.17 0.00 -1.18 0.00 0.00 61.69 59.65 1xkx s THR 47 Cb -0.36 -3.02 0.37 0.00 1.34 0.00 0.00 72.50 70.84 1xkx s THR 47 CO 0.46 -0.06 1.89 -0.65 -0.54 0.00 0.00 174.62 175.72 1xkx h PRO 48 N 1.26 0.39 -0.55 3.99 0.11 -1.99 0.60 132.00 135.80 1xkx h PRO 48 Ca -0.43 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1xkx h PRO 48 Cb 1.26 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1xkx h PRO 48 CO 0.62 0.26 0.00 -0.09 -0.21 0.00 0.00 178.00 178.58 1xkx h ARG 49 N 0.40 0.93 -0.76 1.05 2.43 -1.96 -0.56 114.38 115.90 1xkx h ARG 49 Ca 0.42 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1xkx h ARG 49 Cb 1.03 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.45 1xkx h ARG 49 CO -0.14 0.92 0.31 -0.44 -1.51 0.00 0.00 179.97 179.11 1xkx h ASP 50 N 0.86 1.05 -0.34 -3.80 3.45 -1.29 -1.49 116.42 114.87 1xkx h ASP 50 Ca 0.16 -0.17 -0.08 0.00 0.43 0.00 0.00 57.03 57.37 1xkx h ASP 50 Cb 0.50 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.98 1xkx h ASP 50 CO 0.02 0.93 -0.07 1.88 -1.57 0.00 0.00 179.24 180.43 1xkx h TYR 51 N 1.10 0.82 -0.16 4.55 0.05 -0.90 -0.22 116.97 122.20 1xkx h TYR 51 Ca 0.26 -0.13 -0.00 0.00 0.05 0.00 0.00 58.73 58.90 1xkx h TYR 51 Cb 0.21 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 1xkx h TYR 51 CO 0.02 0.80 0.09 -0.92 -1.05 0.00 0.00 178.16 177.10 1xkx h TYR 52 N 0.69 0.22 -0.41 4.88 3.20 -0.55 -1.07 116.97 123.93 1xkx h TYR 52 Ca 0.12 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 1xkx h TYR 52 Cb 0.53 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1xkx h TYR 52 CO 0.03 0.21 -0.02 0.74 -1.64 0.00 0.00 178.16 177.48 1xkx h PHE 53 N 0.16 0.71 -0.56 -3.82 -1.00 -0.97 0.17 116.94 111.63 1xkx h PHE 53 Ca 0.06 -0.09 -0.02 0.00 2.81 0.00 0.00 57.97 60.72 1xkx h PHE 53 Cb 0.06 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 39.40 1xkx h PHE 53 CO -0.04 0.68 0.27 0.00 -1.61 0.00 0.00 178.31 177.61 1xkx h ALA 54 N 1.35 0.73 -0.40 2.45 0.00 -0.75 -0.01 119.26 122.62 1xkx h ALA 54 Ca 0.13 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1xkx h ALA 54 Cb 0.42 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1xkx h ALA 54 CO 0.02 0.29 -0.19 1.25 0.00 0.00 0.00 179.25 180.61 1xkx h LEU 55 N 0.76 0.87 -0.36 0.00 5.85 -0.73 -2.23 115.31 119.48 1xkx h LEU 55 Ca 0.19 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.53 1xkx h LEU 55 Cb 0.12 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1xkx h LEU 55 CO -0.02 1.08 0.19 0.00 -0.34 0.00 0.00 178.44 179.35 1xkx h ALA 56 N 0.82 0.45 -0.29 1.25 0.00 -0.27 -0.81 119.26 120.40 1xkx h ALA 56 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1xkx h ALA 56 Cb 0.75 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1xkx h ALA 56 CO 0.06 -0.17 -0.13 0.45 0.00 0.00 0.00 179.25 179.46 1xkx h HIS 57 N 0.39 0.54 -0.31 0.00 3.86 -0.97 0.86 115.15 119.51 1xkx h HIS 57 Ca 0.15 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.25 1xkx h HIS 57 Cb 0.04 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1xkx h HIS 57 CO -0.09 0.61 0.08 1.15 0.86 0.00 0.00 177.93 180.54 1xkx h THR 58 N 0.46 1.22 -0.41 2.45 2.02 -0.76 -1.71 112.91 116.18 1xkx h THR 58 Ca 0.09 -0.73 -0.13 0.00 0.77 0.00 0.00 66.41 66.41 1xkx h THR 58 Cb 0.50 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1xkx h THR 58 CO 0.03 0.24 -0.26 0.58 0.37 0.00 0.00 175.52 176.48 1xkx h VAL 59 N 0.35 1.28 -0.95 3.16 2.07 -0.97 -3.08 116.25 118.11 1xkx h VAL 59 Ca 0.10 -1.42 0.09 0.00 0.82 0.00 0.00 66.70 66.28 1xkx h VAL 59 Cb 0.29 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.28 1xkx h VAL 59 CO 0.00 0.48 0.59 -0.09 0.02 0.00 0.00 177.57 178.57 1xkx h ARG 60 N 0.72 0.99 -0.98 1.57 2.43 -0.65 -1.35 114.38 117.12 1xkx h ARG 60 Ca 0.08 -0.06 0.17 0.00 -0.81 0.00 0.00 59.98 59.37 1xkx h ARG 60 Cb 0.84 -0.22 -0.09 0.00 -0.42 0.00 0.00 29.97 30.07 1xkx h ARG 60 CO 0.07 0.66 0.61 -0.44 -1.51 0.00 0.00 179.97 179.36 1xkx h ASP 61 N 1.02 0.76 0.68 -3.80 3.45 -1.21 0.87 116.42 118.19 1xkx h ASP 61 Ca 0.43 0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.97 1xkx h ASP 61 Cb 0.29 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 1xkx h ASP 61 CO -0.21 0.32 0.00 0.45 -1.57 0.00 0.00 179.24 178.22 1xkx h HIS 62 N 0.76 0.00 0.19 4.55 3.86 -1.32 -3.13 115.15 120.05 1xkx h HIS 62 Ca 0.53 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 59.43 1xkx h HIS 62 Cb 0.83 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.32 1xkx h HIS 62 CO -0.00 0.00 -1.49 -0.07 0.86 0.00 0.00 177.93 177.23 1xkx h LEU 63 N 0.00 0.62 -0.56 2.43 3.38 -0.84 -3.40 115.31 116.94 1xkx h LEU 63 Ca 0.00 -0.92 0.11 0.00 0.09 0.00 0.00 57.88 57.16 1xkx h LEU 63 Cb 0.34 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.80 1xkx h LEU 63 CO 0.00 1.68 0.05 -0.37 0.09 0.00 0.00 178.44 179.90 1xkx h VAL 64 N -0.03 0.60 -0.33 1.22 -1.51 -1.46 0.13 116.25 114.87 1xkx h VAL 64 Ca -0.29 -0.06 0.05 0.00 -1.23 0.00 0.00 66.70 65.18 1xkx h VAL 64 Cb 1.99 0.41 -0.05 0.00 -2.13 0.00 0.00 31.29 31.51 1xkx h VAL 64 CO 0.18 0.03 0.03 1.23 -1.23 0.00 0.00 177.57 177.81 1xkx h GLY 65 N 0.17 0.35 1.58 5.19 0.00 -1.77 0.47 103.07 109.06 1xkx h GLY 65 Ca 0.29 0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.54 1xkx h GLY 65 CO -0.43 -0.05 -0.22 3.21 0.00 0.00 0.00 176.54 179.04 1xkx h ARG 66 N 0.13 0.50 -0.18 4.80 3.08 -1.59 -2.57 114.38 118.54 1xkx h ARG 66 Ca 0.16 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1xkx h ARG 66 Cb 0.20 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1xkx h ARG 66 CO -0.24 0.69 0.03 2.35 -1.07 0.00 0.00 179.97 181.73 1xkx h TRP 67 N 0.44 0.32 -0.40 3.04 7.01 0.05 -0.49 115.95 125.93 1xkx h TRP 67 Ca 0.07 -0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 1xkx h TRP 67 Cb 0.63 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.58 1xkx h TRP 67 CO 0.02 0.46 0.19 0.82 -2.79 0.00 0.00 178.44 177.14 1xkx h ILE 68 N 0.10 1.17 0.00 2.65 2.04 -0.85 -2.29 117.51 120.33 1xkx h ILE 68 Ca 0.06 -0.49 -0.12 0.00 1.00 0.00 0.00 64.86 65.31 1xkx h ILE 68 Cb 0.31 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1xkx h ILE 68 CO 0.00 0.18 -0.58 0.08 0.00 0.00 0.00 178.15 177.84 1xkx h ARG 69 N 0.50 0.00 -0.09 2.37 0.11 -1.44 -0.84 114.38 114.99 1xkx h ARG 69 Ca 0.14 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.21 1xkx h ARG 69 Cb 0.12 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.19 1xkx h ARG 69 CO -0.02 0.58 0.03 1.15 0.10 0.00 0.00 179.97 181.81 1xkx h THR 70 N 0.00 1.15 -0.58 0.08 2.02 -0.93 0.18 112.91 114.83 1xkx h THR 70 Ca -0.01 -0.46 -0.08 0.00 0.77 0.00 0.00 66.41 66.63 1xkx h THR 70 Cb 1.16 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.84 1xkx h THR 70 CO 0.07 0.13 0.03 1.56 0.37 0.00 0.00 175.52 177.69 1xkx h GLN 71 N -0.02 0.99 -0.51 6.66 1.08 -1.33 -1.71 115.11 120.28 1xkx h GLN 71 Ca 0.03 -0.29 -0.06 0.00 -1.45 0.00 0.00 58.65 56.88 1xkx h GLN 71 Cb 0.18 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 1xkx h GLN 71 CO -0.00 0.96 0.06 0.37 -0.95 0.00 0.00 178.83 179.27 1xkx h GLN 72 N 0.92 0.82 -0.28 1.46 5.75 -1.00 -2.33 115.11 120.44 1xkx h GLN 72 Ca 0.17 -0.19 0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1xkx h GLN 72 Cb 0.50 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 1xkx h GLN 72 CO 0.02 0.78 0.15 1.25 -2.65 0.00 0.00 178.83 178.39 1xkx h HIS 73 N 0.78 0.29 -0.11 3.99 2.76 0.02 -1.54 115.15 121.34 1xkx h HIS 73 Ca 0.16 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.28 1xkx h HIS 73 Cb 0.38 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 1xkx h HIS 73 CO 0.02 0.17 -0.20 1.88 -1.30 0.00 0.00 177.93 178.49 1xkx h TYR 74 N 0.32 0.19 -0.28 5.26 0.05 -1.06 -1.10 116.97 120.35 1xkx h TYR 74 Ca 0.11 -0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.81 1xkx h TYR 74 Cb 0.01 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 1xkx h TYR 74 CO -0.08 0.38 -0.03 -0.92 -1.05 0.00 0.00 178.16 176.46 1xkx h TYR 75 N 0.17 0.58 0.42 4.88 3.20 -0.88 0.30 116.97 125.64 1xkx h TYR 75 Ca 0.03 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.77 1xkx h TYR 75 Cb 0.46 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.59 1xkx h TYR 75 CO 0.01 0.69 -0.20 0.93 -1.64 0.00 0.00 178.16 177.94 1xkx h GLU 76 N 0.30 -0.55 0.00 1.82 4.39 -0.98 -3.26 114.58 116.30 1xkx h GLU 76 Ca 0.08 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1xkx h GLU 76 Cb 0.48 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1xkx h GLU 76 CO 0.02 -0.24 -0.06 0.87 -1.16 0.00 0.00 179.01 178.44 1xkx h LYS 77 N -0.86 0.00 -6.54 2.33 1.57 -1.29 -3.48 116.57 108.30 1xkx h LYS 77 Ca -0.06 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.22 1xkx h LYS 77 Cb 0.56 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.89 1xkx h LYS 77 CO 0.10 0.06 -0.96 -3.47 -0.57 0.00 0.00 179.45 174.60 1xkx n ASP 78 N -3.13 -4.00 -4.68 0.86 2.03 0.10 -4.97 116.55 102.76 1xkx n ASP 78 Ca 0.02 -1.12 -0.29 0.00 0.52 0.00 0.00 54.79 53.92 1xkx n ASP 78 Cb 0.45 -2.68 0.12 0.00 -0.72 0.00 0.00 41.12 38.29 1xkx n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1xkx s PRO 79 N -6.61 1.50 0.19 -0.67 0.04 -1.26 -4.98 135.00 123.21 1xkx s PRO 79 Ca 0.40 0.00 -0.31 0.00 0.04 0.00 0.00 61.00 61.13 1xkx s PRO 79 Cb -0.18 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 1xkx s PRO 79 CO 0.91 -1.90 1.47 0.21 0.04 0.00 0.00 177.00 177.73 1xkx s LYS 80 N -5.62 4.27 -0.04 4.56 2.20 -1.26 -4.97 119.74 118.88 1xkx s LYS 80 Ca 0.65 2.27 -0.15 0.00 -0.36 0.00 0.00 55.97 58.38 1xkx s LYS 80 Cb -0.10 -3.16 -0.05 0.00 -1.51 0.00 0.00 37.83 33.02 1xkx s LYS 80 CO 0.51 -0.48 0.40 1.03 -0.36 0.00 0.00 175.35 176.45 1xkx s ARG 81 N 0.45 4.02 -0.24 4.03 3.00 0.00 -4.52 118.95 125.69 1xkx s ARG 81 Ca 0.64 0.37 -0.07 0.00 0.00 0.00 0.00 55.73 56.67 1xkx s ARG 81 Cb -0.41 -3.28 -0.03 0.00 0.00 0.00 0.00 34.95 31.23 1xkx s ARG 81 CO 0.36 0.55 0.06 0.42 0.00 0.00 0.00 175.30 176.69 1xkx s ILE 82 N -0.60 4.29 -0.27 1.52 -1.09 -0.25 -1.34 121.20 123.45 1xkx s ILE 82 Ca 0.23 -0.18 -0.04 0.00 -2.23 0.00 0.00 60.65 58.43 1xkx s ILE 82 Cb -0.16 -2.99 0.02 0.00 -1.58 0.00 0.00 42.46 37.75 1xkx s ILE 82 CO 0.12 0.36 0.00 -0.31 -1.23 0.00 0.00 174.94 173.87 1xkx s TYR 83 N 1.46 3.13 -0.49 3.97 2.02 0.61 -0.44 117.35 127.60 1xkx s TYR 83 Ca 0.06 -1.39 -0.16 0.00 -0.37 0.00 0.00 57.07 55.21 1xkx s TYR 83 Cb -0.15 -2.14 0.09 0.00 -0.40 0.00 0.00 41.96 39.36 1xkx s TYR 83 CO 0.03 -0.69 0.42 -0.47 -1.57 0.00 0.00 175.55 173.28 1xkx s TYR 84 N 1.38 3.25 -0.21 2.71 5.04 -0.34 -0.77 117.35 128.40 1xkx s TYR 84 Ca 0.00 -1.03 -0.19 0.00 -2.44 0.00 0.00 57.07 53.41 1xkx s TYR 84 Cb -0.17 -3.34 -0.03 0.00 0.35 0.00 0.00 41.96 38.77 1xkx s TYR 84 CO -0.01 -0.86 0.57 -0.51 -1.34 0.00 0.00 175.55 173.40 1xkx s LEU 85 N 1.63 4.12 -0.05 6.97 1.02 -0.51 -1.67 118.68 130.19 1xkx s LEU 85 Ca 0.04 0.71 -0.14 0.00 0.02 0.00 0.00 54.13 54.76 1xkx s LEU 85 Cb -0.26 -2.78 0.03 0.00 0.02 0.00 0.00 46.19 43.20 1xkx s LEU 85 CO 0.06 -0.25 0.32 -0.55 0.02 0.00 0.00 176.35 175.95 1xkx s SER 86 N 1.26 -0.24 0.00 2.29 0.15 -0.90 -1.71 113.70 114.55 1xkx s SER 86 Ca 0.25 0.28 0.28 0.00 0.70 0.00 0.00 55.95 57.47 1xkx s SER 86 Cb -0.16 0.44 1.07 0.00 -1.71 0.00 0.00 66.02 65.66 1xkx s SER 86 CO 0.10 -0.34 1.76 0.18 1.20 0.00 0.00 173.24 176.13 1xkx n LEU 87 N 1.81 1.33 -3.82 3.45 4.32 -1.26 -4.11 117.00 118.72 1xkx n LEU 87 Ca -0.19 -0.43 -0.13 0.00 -0.02 0.00 0.00 56.01 55.24 1xkx n LEU 87 Cb 0.57 -0.02 -0.15 0.00 -1.62 0.00 0.00 43.42 42.20 1xkx n LEU 87 CO 0.20 0.22 -0.36 -1.61 -1.22 0.00 0.00 177.39 174.63 1xkx s GLU 88 N -2.07 -0.02 -0.26 3.23 2.02 -1.26 -4.66 118.70 115.68 1xkx s GLU 88 Ca 0.37 0.09 -0.04 0.00 0.02 0.00 0.00 54.97 55.41 1xkx s GLU 88 Cb 0.21 -0.12 0.09 0.00 0.10 0.00 0.00 34.13 34.42 1xkx s GLU 88 CO 0.36 -0.08 0.14 -0.06 0.02 0.00 0.00 175.26 175.64 1xkx s PHE 89 N 0.50 0.20 -1.04 1.61 0.40 -0.13 -4.54 117.98 114.98 1xkx s PHE 89 Ca -0.04 -0.63 -0.15 0.00 -0.60 0.00 0.00 56.93 55.51 1xkx s PHE 89 Cb -0.06 -0.79 0.18 0.00 0.51 0.00 0.00 43.02 42.86 1xkx s PHE 89 CO -0.01 -0.75 1.18 -0.47 0.70 0.00 0.00 175.22 175.87 1xkx s TYR 90 N 2.14 3.52 0.13 0.36 6.14 -0.26 -3.39 117.35 125.99 1xkx s TYR 90 Ca 0.07 -1.94 -0.00 0.00 0.64 0.00 0.00 57.07 55.84 1xkx s TYR 90 Cb -0.16 -4.16 -0.11 0.00 0.42 0.00 0.00 41.96 37.96 1xkx s TYR 90 CO -0.29 -1.30 1.30 0.52 0.64 0.00 0.00 175.55 176.42 1xkx h MET 91 N 7.77 0.24 0.00 4.97 2.86 -1.80 -3.40 114.93 125.56 1xkx h MET 91 Ca 0.21 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1xkx h MET 91 Cb 0.95 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1xkx h MET 91 CO 1.09 1.05 0.00 0.41 1.06 0.00 0.00 176.91 180.52 1xkx n GLY 92 N 1.08 -0.35 3.82 8.32 0.00 -0.72 -4.80 105.19 112.54 1xkx n GLY 92 Ca -0.05 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 1xkx n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xkx s ARG 93 N 0.00 3.99 -0.06 1.61 0.52 -1.26 -1.78 118.95 121.96 1xkx s ARG 93 Ca 0.00 1.10 0.09 0.00 -0.52 0.00 0.00 55.73 56.40 1xkx s ARG 93 Cb 0.00 -2.14 -0.13 0.00 0.52 0.00 0.00 34.95 33.20 1xkx s ARG 93 CO 0.00 -0.24 0.11 2.41 0.02 0.00 0.00 175.30 177.60 1xkx n THR 94 N -1.15 0.41 0.18 0.02 -1.04 -1.26 -4.63 114.28 106.81 1xkx n THR 94 Ca 0.07 -0.34 -0.14 0.00 -2.04 0.00 0.00 64.05 61.60 1xkx n THR 94 Cb 0.54 -0.37 -0.08 0.00 -1.82 0.00 0.00 70.33 68.60 1xkx n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1xkx h LEU 95 N 0.00 -1.19 -0.67 -4.42 5.85 -1.96 -0.77 115.31 112.13 1xkx h LEU 95 Ca -0.16 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1xkx h LEU 95 Cb 1.17 0.41 -0.03 0.00 0.37 0.00 0.00 40.66 42.58 1xkx h LEU 95 CO 0.01 -0.50 0.36 -0.61 -0.34 0.00 0.00 178.44 177.35 1xkx h GLN 96 N -0.73 0.95 -0.76 1.25 4.15 -1.96 -2.04 115.11 115.96 1xkx h GLN 96 Ca -0.03 -0.12 0.04 0.00 0.77 0.00 0.00 58.65 59.31 1xkx h GLN 96 Cb 0.67 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 28.13 1xkx h GLN 96 CO -0.12 0.72 0.50 -0.97 -1.93 0.00 0.00 178.83 177.03 1xkx h ASN 97 N 0.93 0.78 -0.42 -0.69 -0.73 -1.79 0.05 115.58 113.71 1xkx h ASN 97 Ca 0.24 -0.01 -0.11 0.00 1.87 0.00 0.00 56.30 58.29 1xkx h ASN 97 Cb 0.06 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.46 1xkx h ASN 97 CO -0.04 0.53 -0.17 0.74 -0.37 0.00 0.00 177.43 178.12 1xkx h THR 98 N 0.91 1.28 -0.48 -3.57 2.02 -0.59 -2.15 112.91 110.32 1xkx h THR 98 Ca 0.31 -1.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.13 1xkx h THR 98 Cb 0.09 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1xkx h THR 98 CO -0.09 0.44 0.10 0.24 0.37 0.00 0.00 175.52 176.58 1xkx h MET 99 N 0.68 0.79 -0.11 6.66 2.86 -0.65 -1.66 114.93 123.50 1xkx h MET 99 Ca 0.10 -0.20 0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1xkx h MET 99 Cb 0.73 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 1xkx h MET 99 CO 0.06 0.78 -0.01 0.28 1.06 0.00 0.00 176.91 179.08 1xkx h VAL 100 N 0.67 0.91 0.00 -2.22 2.07 -0.95 0.21 116.25 116.94 1xkx h VAL 100 Ca 0.15 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 1xkx h VAL 100 Cb 0.36 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1xkx h VAL 100 CO 0.01 0.00 -0.06 0.78 0.02 0.00 0.00 177.57 178.32 1xkx h ASN 101 N 0.02 0.00 -0.05 0.57 4.21 -1.29 -2.67 115.58 116.38 1xkx h ASN 101 Ca 0.05 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.56 1xkx h ASN 101 Cb 0.07 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.27 1xkx h ASN 101 CO -0.10 0.06 0.00 0.18 -1.29 0.00 0.00 177.43 176.29 1xkx n LEU 102 N -3.20 2.83 -3.43 1.61 4.32 -0.63 -0.49 117.00 118.01 1xkx n LEU 102 Ca 0.00 -1.03 -0.21 0.00 -0.02 0.00 0.00 56.01 54.75 1xkx n LEU 102 Cb 0.32 -0.01 0.08 0.00 -1.62 0.00 0.00 43.42 42.19 1xkx n LEU 102 CO 0.29 0.49 0.20 0.00 -1.22 0.00 0.00 177.39 177.14 1xkx n ALA 103 N 1.22 -1.48 0.37 -1.18 0.00 0.45 -4.92 120.51 114.96 1xkx n ALA 103 Ca 0.13 0.25 0.04 0.00 0.00 0.00 0.00 53.44 53.86 1xkx n ALA 103 Cb 0.54 -4.36 0.02 0.00 0.00 0.00 0.00 19.45 15.65 1xkx n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xkx n LEU 104 N -4.56 1.44 0.07 0.00 4.32 0.40 -4.57 117.00 114.11 1xkx n LEU 104 Ca -0.08 -0.89 -0.12 0.00 -0.02 0.00 0.00 56.01 54.90 1xkx n LEU 104 Cb 0.59 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.34 1xkx n LEU 104 CO 0.61 0.29 0.71 -0.08 -1.22 0.00 0.00 177.39 177.70 1xkx h GLU 105 N 1.36 -0.36 -0.59 3.23 4.81 -1.63 -0.29 114.58 121.11 1xkx h GLU 105 Ca 0.00 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 1xkx h GLU 105 Cb 0.33 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1xkx h GLU 105 CO 0.00 -0.24 0.08 -0.91 -0.73 0.00 0.00 179.01 177.21 1xkx h ASN 106 N -0.37 0.94 -0.26 1.04 2.35 -1.25 0.20 115.58 118.24 1xkx h ASN 106 Ca 0.05 -0.27 0.02 0.00 -0.55 0.00 0.00 56.30 55.55 1xkx h ASN 106 Cb 0.43 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1xkx h ASN 106 CO -0.18 0.97 0.11 0.00 -1.65 0.00 0.00 177.43 176.69 1xkx h ALA 107 N 1.01 0.30 -0.12 -0.83 0.00 -1.61 0.21 119.26 118.23 1xkx h ALA 107 Ca 0.18 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1xkx h ALA 107 Cb 0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1xkx h ALA 107 CO 0.01 -0.29 -0.36 0.00 0.00 0.00 0.00 179.25 178.62 1xkx h ASP 109 N 0.20 0.41 0.13 0.00 1.82 -0.22 -0.96 116.42 117.81 1xkx h ASP 109 Ca 0.02 -0.24 -0.01 0.00 -0.39 0.00 0.00 57.03 56.41 1xkx h ASP 109 Cb 0.74 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.64 1xkx h ASP 109 CO 0.06 0.55 -0.06 -0.08 -1.61 0.00 0.00 179.24 178.09 1xkx h GLU 110 N 0.25 -0.17 -0.44 0.28 4.57 -0.32 -1.42 114.58 117.33 1xkx h GLU 110 Ca 0.08 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.35 1xkx h GLU 110 Cb 0.30 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.86 1xkx h GLU 110 CO 0.00 0.11 0.01 0.00 -1.18 0.00 0.00 179.01 177.96 1xkx h ALA 111 N 0.37 0.42 -0.12 2.92 0.00 -0.71 0.46 119.26 122.61 1xkx h ALA 111 Ca -0.02 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1xkx h ALA 111 Cb 0.36 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1xkx h ALA 111 CO 0.03 -0.38 -0.37 1.79 0.00 0.00 0.00 179.25 180.32 1xkx h THR 112 N 0.13 1.29 -0.07 0.00 1.35 -1.19 -2.21 112.91 112.21 1xkx h THR 112 Ca 0.22 -1.43 -0.00 0.00 -0.55 0.00 0.00 66.41 64.65 1xkx h THR 112 Cb 0.31 1.62 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1xkx h THR 112 CO -0.35 0.43 0.04 0.22 -0.25 0.00 0.00 175.52 175.61 1xkx h TYR 113 N 0.22 0.09 0.00 4.73 3.20 -0.02 0.37 116.97 125.56 1xkx h TYR 113 Ca 0.02 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1xkx h TYR 113 Cb 0.76 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.00 1xkx h TYR 113 CO 0.01 0.10 -0.08 1.96 -1.64 0.00 0.00 178.16 178.51 1xkx h GLN 114 N 0.06 0.00 -0.05 1.82 4.20 -0.75 0.18 115.11 120.59 1xkx h GLN 114 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1xkx h GLN 114 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1xkx h GLN 114 CO -0.00 0.08 0.00 1.28 -0.67 0.00 0.00 178.83 179.52 1xkx n LEU 115 N -3.72 0.92 -0.31 1.46 4.32 -0.80 -4.90 117.00 113.98 1xkx n LEU 115 Ca -0.02 -0.34 -0.03 0.00 -0.02 0.00 0.00 56.01 55.60 1xkx n LEU 115 Cb 0.19 -0.03 -0.00 0.00 -1.62 0.00 0.00 43.42 41.96 1xkx n LEU 115 CO 0.29 0.17 -0.04 0.61 -1.22 0.00 0.00 177.39 177.21 1xkx n GLY 116 N 1.06 0.35 3.38 -0.72 0.00 0.64 -5.05 105.19 104.84 1xkx n GLY 116 Ca 0.19 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 1xkx n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xkx s LEU 117 N -0.81 2.34 -0.44 0.99 1.43 0.12 -5.00 118.68 117.32 1xkx s LEU 117 Ca 0.00 -0.76 -0.15 0.00 -1.03 0.00 0.00 54.13 52.18 1xkx s LEU 117 Cb 0.00 -1.14 0.05 0.00 0.03 0.00 0.00 46.19 45.13 1xkx s LEU 117 CO 0.00 0.14 0.35 -0.62 0.23 0.00 0.00 176.35 176.45 1xkx s ASP 118 N -2.16 6.13 0.33 2.29 3.68 -1.26 -3.37 116.67 122.32 1xkx s ASP 118 Ca 0.14 -1.12 0.05 0.00 2.13 0.00 0.00 52.55 53.76 1xkx s ASP 118 Cb -0.09 -2.17 0.70 0.00 -1.45 0.00 0.00 42.92 39.90 1xkx s ASP 118 CO 0.06 -0.55 1.89 -0.03 0.13 0.00 0.00 175.17 176.67 1xkx h MET 119 N 8.70 0.80 -0.68 4.34 1.85 -1.90 -1.41 114.93 126.62 1xkx h MET 119 Ca -0.28 -0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 58.75 1xkx h MET 119 Cb 1.11 -0.18 -0.03 0.00 0.43 0.00 0.00 31.60 32.93 1xkx h MET 119 CO 0.81 0.53 0.37 0.93 -0.40 0.00 0.00 176.91 179.14 1xkx h GLU 120 N 0.82 0.94 -0.64 0.39 5.08 -1.99 -0.34 114.58 118.84 1xkx h GLU 120 Ca 0.41 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.61 1xkx h GLU 120 Cb 0.48 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1xkx h GLU 120 CO -0.18 0.70 0.16 1.49 -1.00 0.00 0.00 179.01 180.18 1xkx h GLU 121 N 0.95 1.03 -0.36 2.33 4.81 -1.69 -2.77 114.58 118.89 1xkx h GLU 121 Ca 0.24 -0.25 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 1xkx h GLU 121 Cb 0.03 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1xkx h GLU 121 CO -0.04 0.93 -0.25 -0.07 -0.73 0.00 0.00 179.01 178.85 1xkx h LEU 122 N 0.95 0.73 -1.43 1.64 4.07 -1.00 -2.99 115.31 117.28 1xkx h LEU 122 Ca 0.20 -0.27 -0.05 0.00 0.08 0.00 0.00 57.88 57.84 1xkx h LEU 122 Cb 0.36 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 1xkx h LEU 122 CO 0.00 0.95 -0.19 -0.33 -1.08 0.00 0.00 178.44 177.80 1xkx h GLU 123 N 0.62 0.14 0.00 1.13 5.08 -0.88 -2.01 114.58 118.67 1xkx h GLU 123 Ca 0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1xkx h GLU 123 Cb 0.74 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1xkx h GLU 123 CO 0.06 0.33 0.00 0.39 -1.00 0.00 0.00 179.01 178.79 1xkx n GLU 124 N -4.25 0.18 0.08 2.33 -0.58 -1.06 -2.67 120.64 114.66 1xkx n GLU 124 Ca -0.01 0.43 -0.05 0.00 -0.42 0.00 0.00 57.16 57.10 1xkx n GLU 124 Cb 0.29 -1.85 -0.05 0.00 -0.57 0.00 0.00 31.44 29.26 1xkx n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1xkx h ILE 125 N 0.00 1.57 -3.63 -3.67 2.04 -1.43 -3.46 117.51 108.93 1xkx h ILE 125 Ca 0.00 -3.07 -0.53 0.00 1.00 0.00 0.00 64.86 62.26 1xkx h ILE 125 Cb 0.33 2.68 0.08 0.00 -0.74 0.00 0.00 36.82 39.18 1xkx h ILE 125 CO 0.00 0.86 0.79 -0.70 0.00 0.00 0.00 178.15 179.10 1xkx s GLU 126 N -2.89 4.18 0.31 2.37 2.12 -1.09 -4.98 118.70 118.72 1xkx s GLU 126 Ca 0.01 2.47 -0.25 0.00 0.36 0.00 0.00 54.97 57.56 1xkx s GLU 126 Cb 0.10 -3.03 -0.10 0.00 0.26 0.00 0.00 34.13 31.37 1xkx s GLU 126 CO 0.80 -0.49 0.91 -1.21 -0.54 0.00 0.00 175.26 174.73 1xkx s GLU 127 N -1.22 4.52 0.28 4.30 0.41 -1.26 -4.97 118.70 120.77 1xkx s GLU 127 Ca 0.57 1.25 -0.29 0.00 -0.41 0.00 0.00 54.97 56.08 1xkx s GLU 127 Cb -0.45 -2.80 -0.10 0.00 -1.78 0.00 0.00 34.13 29.00 1xkx s GLU 127 CO 0.53 0.29 1.18 -0.51 -0.49 0.00 0.00 175.26 176.27 1xkx s ASP 128 N -1.63 7.08 -0.69 -0.19 1.11 -1.26 -4.53 116.67 116.56 1xkx s ASP 128 Ca 0.49 2.40 -0.22 0.00 0.18 0.00 0.00 52.55 55.40 1xkx s ASP 128 Cb -0.18 -2.63 0.08 0.00 1.07 0.00 0.00 42.92 41.26 1xkx s ASP 128 CO 0.23 -0.31 0.97 0.00 1.18 0.00 0.00 175.17 177.24 1xkx s ALA 129 N -0.96 3.16 -0.98 5.23 0.00 -0.74 -4.87 121.76 122.59 1xkx s ALA 129 Ca 0.47 -1.97 -0.01 0.00 0.00 0.00 0.00 51.96 50.45 1xkx s ALA 129 Cb -0.35 -3.87 0.33 0.00 0.00 0.00 0.00 23.12 19.23 1xkx s ALA 129 CO 0.44 -2.78 1.89 0.41 0.00 0.00 0.00 175.76 175.72 1xkx n GLY 130 N 5.36 5.97 1.85 0.00 0.00 -1.26 -1.75 105.19 115.37 1xkx n GLY 130 Ca -0.01 -2.55 -0.14 0.00 0.00 0.00 0.00 46.02 43.33 1xkx n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xkx n LEU 131 N -0.17 6.22 -3.64 0.99 4.77 -1.22 -0.49 117.00 123.47 1xkx n LEU 131 Ca 0.49 -3.17 -0.10 0.00 -0.03 0.00 0.00 56.01 53.21 1xkx n LEU 131 Cb 0.25 -1.09 -0.02 0.00 -2.33 0.00 0.00 43.42 40.23 1xkx n LEU 131 CO 0.52 1.23 0.42 -0.83 -1.33 0.00 0.00 177.39 177.40 1xkx s GLY 132 N 0.61 -0.35 -0.13 -0.72 0.00 -1.26 -0.96 107.32 104.51 1xkx s GLY 132 Ca 0.27 0.09 0.04 0.00 0.00 0.00 0.00 44.72 45.12 1xkx s GLY 132 CO -0.02 0.03 0.33 0.70 0.00 0.00 0.00 173.10 174.14 1xkx n ASN 133 N -0.41 1.44 0.00 1.64 3.02 -1.26 -4.43 115.26 115.26 1xkx n ASN 133 Ca -0.11 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1xkx n ASN 133 Cb 0.62 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 1xkx n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xkx n GLY 134 N 1.87 -0.14 0.29 7.41 0.00 -1.26 -4.93 105.19 108.42 1xkx n GLY 134 Ca -0.29 0.53 0.04 0.00 0.00 0.00 0.00 46.02 46.30 1xkx n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xkx h GLY 135 N 0.00 1.20 0.85 -0.02 0.00 -1.98 -0.21 103.07 102.91 1xkx h GLY 135 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1xkx h GLY 135 CO 0.00 0.00 0.04 -2.00 0.00 0.00 0.00 176.54 174.59 1xkx h LEU 136 N 0.60 0.23 -0.71 3.11 5.85 -1.98 -0.43 115.31 121.98 1xkx h LEU 136 Ca 0.40 -0.21 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 1xkx h LEU 136 Cb 0.51 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1xkx h LEU 136 CO -0.32 0.38 -0.40 1.23 -0.34 0.00 0.00 178.44 178.99 1xkx h GLY 137 N 0.07 0.57 1.53 3.75 0.00 -1.74 -2.94 103.07 104.32 1xkx h GLY 137 Ca 0.05 -0.57 -0.13 0.00 0.00 0.00 0.00 47.33 46.68 1xkx h GLY 137 CO -0.00 0.51 -0.41 -0.09 0.00 0.00 0.00 176.54 176.55 1xkx h ARG 138 N 0.43 0.51 -0.67 4.80 1.12 -0.95 -0.59 114.38 119.04 1xkx h ARG 138 Ca 0.04 -0.26 -0.01 0.00 -1.11 0.00 0.00 59.98 58.64 1xkx h ARG 138 Cb 0.89 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.82 1xkx h ARG 138 CO 0.08 0.84 0.38 1.25 -3.11 0.00 0.00 179.97 179.41 1xkx h LEU 139 N 0.42 0.82 -1.11 3.80 5.85 -0.97 -0.05 115.31 124.08 1xkx h LEU 139 Ca 0.03 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1xkx h LEU 139 Cb 0.90 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 1xkx h LEU 139 CO 0.08 0.66 0.51 0.00 -0.34 0.00 0.00 178.44 179.35 1xkx h ALA 140 N 1.19 1.34 -0.30 1.25 0.00 -1.34 0.14 119.26 121.54 1xkx h ALA 140 Ca 0.24 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1xkx h ALA 140 Cb 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1xkx h ALA 140 CO -0.04 0.58 -0.04 0.00 0.00 0.00 0.00 179.25 179.75 1xkx h ALA 141 N 1.42 0.41 -0.71 0.00 0.00 -0.94 -1.44 119.26 118.00 1xkx h ALA 141 Ca 0.30 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1xkx h ALA 141 Cb -0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1xkx h ALA 141 CO -0.06 0.20 0.24 0.00 0.00 0.00 0.00 179.25 179.63 1xkx h PHE 143 N 1.05 0.80 -0.63 0.00 -1.00 -0.53 -0.89 116.94 115.75 1xkx h PHE 143 Ca 0.23 0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.03 1xkx h PHE 143 Cb 0.27 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 39.53 1xkx h PHE 143 CO 0.02 0.53 0.41 -0.07 -1.61 0.00 0.00 178.31 177.59 1xkx h LEU 144 N 0.84 0.72 -0.31 1.54 4.07 -0.94 0.14 115.31 121.37 1xkx h LEU 144 Ca 0.22 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1xkx h LEU 144 Cb -0.06 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.49 1xkx h LEU 144 CO -0.05 0.53 0.20 -0.78 -1.08 0.00 0.00 178.44 177.26 1xkx h ASP 145 N 0.85 0.36 -0.47 -0.43 3.58 -1.09 -2.24 116.42 116.99 1xkx h ASP 145 Ca 0.23 -0.03 -0.11 0.00 0.42 0.00 0.00 57.03 57.54 1xkx h ASP 145 Cb -0.09 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 1xkx h ASP 145 CO -0.05 0.28 -0.12 0.28 -2.88 0.00 0.00 179.24 176.75 1xkx h SER 146 N 0.41 0.96 -0.20 2.28 0.02 -0.73 -1.51 113.55 114.77 1xkx h SER 146 Ca 0.11 -0.32 -0.05 0.00 -0.84 0.00 0.00 61.79 60.70 1xkx h SER 146 Cb -0.02 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 1xkx h SER 146 CO -0.02 1.08 0.00 0.24 -1.14 0.00 0.00 176.83 176.99 1xkx h MET 147 N 0.85 0.48 -0.06 3.45 2.86 -0.56 0.29 114.93 122.24 1xkx h MET 147 Ca 0.13 -0.10 -0.24 0.00 -2.06 0.00 0.00 59.70 57.43 1xkx h MET 147 Cb 0.67 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.27 1xkx h MET 147 CO 0.05 0.51 -0.92 0.00 1.06 0.00 0.00 176.91 177.61 1xkx h ALA 148 N 1.54 0.26 0.00 6.32 0.00 -1.25 -0.40 119.26 125.74 1xkx h ALA 148 Ca 0.10 -0.66 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 1xkx h ALA 148 Cb 0.30 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1xkx h ALA 148 CO 0.01 0.71 -0.30 1.15 0.00 0.00 0.00 179.25 180.82 1xkx h THR 149 N 0.41 1.05 -0.57 0.00 2.02 -0.82 -2.47 112.91 112.53 1xkx h THR 149 Ca -0.09 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 65.99 1xkx h THR 149 Cb 1.55 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 1xkx h THR 149 CO 0.18 0.30 0.00 0.18 0.37 0.00 0.00 175.52 176.55 1xkx n LEU 150 N -3.93 3.87 -3.28 2.58 4.77 0.05 -4.73 117.00 116.33 1xkx n LEU 150 Ca -0.02 -1.95 -0.24 0.00 -0.03 0.00 0.00 56.01 53.78 1xkx n LEU 150 Cb 0.37 -0.50 0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1xkx n LEU 150 CO 0.36 0.73 0.06 0.61 -1.33 0.00 0.00 177.39 177.83 1xkx n GLY 151 N 1.15 -0.52 3.85 -0.72 0.00 -0.93 0.05 105.19 108.06 1xkx n GLY 151 Ca 0.21 0.16 -0.36 0.00 0.00 0.00 0.00 46.02 46.04 1xkx n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xkx s LEU 152 N -6.87 4.38 -1.36 0.99 1.43 -0.18 -4.66 118.68 112.41 1xkx s LEU 152 Ca 0.42 0.96 -0.16 0.00 -1.03 0.00 0.00 54.13 54.32 1xkx s LEU 152 Cb -0.19 -3.01 0.07 0.00 0.03 0.00 0.00 46.19 43.08 1xkx s LEU 152 CO 0.51 0.18 1.92 0.00 0.23 0.00 0.00 176.35 179.20 1xkx n ALA 153 N 1.09 4.39 -2.61 4.21 0.00 -1.26 -4.67 120.51 121.65 1xkx n ALA 153 Ca -0.08 -3.89 -0.31 0.00 0.00 0.00 0.00 53.44 49.15 1xkx n ALA 153 Cb 0.52 -3.54 -0.10 0.00 0.00 0.00 0.00 19.45 16.33 1xkx n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xkx s ALA 154 N 3.60 3.08 -0.07 0.00 0.00 -1.26 -1.09 121.76 126.02 1xkx s ALA 154 Ca 0.50 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 51.39 1xkx s ALA 154 Cb 0.08 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 22.12 1xkx s ALA 154 CO 0.01 0.64 -0.10 0.71 0.00 0.00 0.00 175.76 177.02 1xkx s TYR 155 N -1.12 1.28 -0.11 0.00 2.02 0.41 -4.02 117.35 115.80 1xkx s TYR 155 Ca 0.20 -0.48 -0.17 0.00 -0.37 0.00 0.00 57.07 56.25 1xkx s TYR 155 Cb -0.11 -0.99 -0.04 0.00 -0.40 0.00 0.00 41.96 40.41 1xkx s TYR 155 CO 0.11 -0.29 0.43 0.20 -1.57 0.00 0.00 175.55 174.43 1xkx s GLY 156 N 0.89 2.37 -0.10 0.71 0.00 -0.80 -1.19 107.32 109.19 1xkx s GLY 156 Ca -0.11 -0.25 0.03 0.00 0.00 0.00 0.00 44.72 44.39 1xkx s GLY 156 CO 0.01 0.63 -0.18 -0.19 0.00 0.00 0.00 173.10 173.37 1xkx s TYR 157 N 0.40 2.09 0.00 1.90 2.02 -0.67 0.63 117.35 123.72 1xkx s TYR 157 Ca 0.24 -0.92 0.00 0.00 -0.37 0.00 0.00 57.07 56.02 1xkx s TYR 157 Cb -0.15 -1.46 0.00 0.00 -0.40 0.00 0.00 41.96 39.95 1xkx s TYR 157 CO 0.09 -0.43 0.00 0.41 -1.57 0.00 0.00 175.55 174.05 1xkx n GLY 158 N 3.91 3.58 3.42 0.71 0.00 -0.73 -2.12 105.19 113.96 1xkx n GLY 158 Ca -0.20 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 1xkx n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xkx s ILE 159 N -1.96 2.82 -0.94 -0.61 1.01 -1.26 -1.20 121.20 119.06 1xkx s ILE 159 Ca 0.00 -0.80 -0.18 0.00 0.00 0.00 0.00 60.65 59.67 1xkx s ILE 159 Cb 0.00 -2.10 0.14 0.00 0.01 0.00 0.00 42.46 40.52 1xkx s ILE 159 CO 0.00 0.58 1.11 -0.60 0.00 0.00 0.00 174.94 176.03 1xkx s ARG 160 N -0.52 3.63 0.26 2.79 3.52 0.05 -4.76 118.95 123.92 1xkx s ARG 160 Ca 0.07 -1.88 -0.30 0.00 -0.13 0.00 0.00 55.73 53.49 1xkx s ARG 160 Cb -0.12 -4.88 -0.09 0.00 -1.56 0.00 0.00 34.95 28.30 1xkx s ARG 160 CO 0.01 -1.73 1.22 0.71 -0.81 0.00 0.00 175.30 174.71 1xkx s TYR 161 N 2.37 3.33 0.23 5.12 2.02 -1.26 -4.74 117.35 124.43 1xkx s TYR 161 Ca 0.32 1.46 0.02 0.00 -0.37 0.00 0.00 57.07 58.50 1xkx s TYR 161 Cb -0.05 -3.49 0.25 0.00 -0.40 0.00 0.00 41.96 38.27 1xkx s TYR 161 CO -0.09 -1.33 1.58 1.49 -1.57 0.00 0.00 175.55 175.62 1xkx h GLU 162 N 4.35 0.36 -4.47 -0.62 4.81 -0.82 -3.41 114.58 114.79 1xkx h GLU 162 Ca -0.46 -0.22 -0.57 0.00 -0.13 0.00 0.00 59.36 57.98 1xkx h GLU 162 Cb 1.22 0.02 -0.36 0.00 0.63 0.00 0.00 28.75 30.25 1xkx h GLU 162 CO 0.70 0.80 -0.82 -0.06 -0.73 0.00 0.00 179.01 178.91 1xkx s PHE 163 N -3.95 1.85 0.00 0.92 0.40 0.22 -4.41 117.98 113.01 1xkx s PHE 163 Ca -0.05 -0.99 0.00 0.00 -0.60 0.00 0.00 56.93 55.29 1xkx s PHE 163 Cb 0.12 -1.42 0.00 0.00 0.51 0.00 0.00 43.02 42.23 1xkx s PHE 163 CO 0.81 -0.59 0.00 0.41 0.70 0.00 0.00 175.22 176.54 1xkx n GLY 164 N 4.83 0.66 3.72 4.36 0.00 -1.23 -1.91 105.19 115.63 1xkx n GLY 164 Ca -0.15 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 1xkx n GLY 164 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xkx n ILE 165 N 0.00 0.80 -1.52 -0.61 0.13 0.36 -4.58 119.36 113.93 1xkx n ILE 165 Ca 0.00 -0.20 -0.36 0.00 -1.10 0.00 0.00 62.75 61.09 1xkx n ILE 165 Cb 0.00 -1.86 0.09 0.00 -0.84 0.00 0.00 39.64 37.02 1xkx n ILE 165 CO 0.00 0.00 0.00 2.22 2.80 0.00 0.00 176.55 181.57 1xkx n PHE 166 N 2.46 1.60 -2.92 9.51 1.16 -1.26 -4.55 117.46 123.45 1xkx n PHE 166 Ca 0.11 0.41 -0.40 0.00 -1.87 0.00 0.00 57.45 55.70 1xkx n PHE 166 Cb 0.35 -2.20 -0.05 0.00 -1.61 0.00 0.00 39.48 35.97 1xkx n PHE 166 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 1xkx s ASN 167 N -1.59 7.26 -0.20 5.98 0.01 -0.32 -4.89 114.94 121.19 1xkx s ASN 167 Ca 0.79 1.50 -0.14 0.00 -0.71 0.00 0.00 52.86 54.30 1xkx s ASN 167 Cb -0.35 -2.49 -0.04 0.00 0.41 0.00 0.00 41.25 38.77 1xkx s ASN 167 CO 0.44 -0.03 0.33 -1.58 -1.51 0.00 0.00 177.10 174.74 1xkx s GLN 168 N 0.12 4.18 -0.01 -0.60 0.74 -1.26 -1.94 119.66 120.89 1xkx s GLN 168 Ca 0.41 0.09 0.06 0.00 0.05 0.00 0.00 55.36 55.97 1xkx s GLN 168 Cb -0.21 -3.51 -0.03 0.00 1.10 0.00 0.00 33.01 30.37 1xkx s GLN 168 CO 0.24 0.06 -0.19 0.15 -0.55 0.00 0.00 175.29 175.00 1xkx s LYS 169 N 1.03 2.27 -0.28 1.67 -0.14 -0.10 -3.80 119.74 120.38 1xkx s LYS 169 Ca 0.16 -0.84 -0.07 0.00 -1.36 0.00 0.00 55.97 53.86 1xkx s LYS 169 Cb -0.14 -2.23 -0.01 0.00 -1.68 0.00 0.00 37.83 33.77 1xkx s LYS 169 CO 0.06 0.58 0.08 0.42 -0.76 0.00 0.00 175.35 175.73 1xkx s ILE 170 N -0.76 4.09 -0.16 2.17 -1.09 -1.26 0.54 121.20 124.73 1xkx s ILE 170 Ca 0.12 -0.49 0.01 0.00 -2.23 0.00 0.00 60.65 58.05 1xkx s ILE 170 Cb -0.10 -3.03 0.02 0.00 -1.58 0.00 0.00 42.46 37.76 1xkx s ILE 170 CO 0.01 0.18 -0.17 0.00 -1.23 0.00 0.00 174.94 173.74 1xkx n GLY 172 N 4.66 -0.16 2.35 0.00 0.00 -1.26 -0.53 105.19 110.25 1xkx n GLY 172 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1xkx n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xkx n GLY 173 N -0.90 1.08 3.81 -0.02 0.00 -1.26 -5.03 105.19 102.87 1xkx n GLY 173 Ca -0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 1xkx n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xkx s TRP 174 N -3.47 3.25 0.08 1.61 0.52 0.31 -3.81 118.94 117.44 1xkx s TRP 174 Ca 0.00 0.11 -0.30 0.00 0.02 0.00 0.00 56.10 55.93 1xkx s TRP 174 Cb 0.00 -1.64 -0.05 0.00 -1.15 0.00 0.00 33.47 30.62 1xkx s TRP 174 CO 0.00 0.53 1.04 -1.14 0.02 0.00 0.00 176.95 177.41 1xkx s GLN 175 N -2.45 4.58 -0.02 4.98 0.74 -1.26 -0.02 119.66 126.21 1xkx s GLN 175 Ca 0.30 1.56 0.07 0.00 0.05 0.00 0.00 55.36 57.34 1xkx s GLN 175 Cb -0.12 -3.38 -0.02 0.00 1.10 0.00 0.00 33.01 30.59 1xkx s GLN 175 CO 0.23 0.01 -0.24 -1.64 -0.55 0.00 0.00 175.29 173.10 1xkx s MET 176 N 0.45 1.97 0.00 1.67 -1.94 0.19 -4.91 119.30 116.73 1xkx s MET 176 Ca 0.51 -0.86 0.01 0.00 -1.71 0.00 0.00 55.69 53.64 1xkx s MET 176 Cb -0.25 -1.89 -0.04 0.00 2.01 0.00 0.00 34.83 34.66 1xkx s MET 176 CO 0.30 0.51 0.05 -1.21 -0.01 0.00 0.00 175.02 174.66 1xkx s GLU 177 N -0.55 2.94 -0.04 2.03 8.01 -1.26 -0.93 118.70 128.89 1xkx s GLU 177 Ca 0.09 -0.55 -0.05 0.00 0.01 0.00 0.00 54.97 54.47 1xkx s GLU 177 Cb -0.09 -2.77 0.01 0.00 -4.31 0.00 0.00 34.13 26.96 1xkx s GLU 177 CO -0.01 0.63 0.14 -1.83 0.01 0.00 0.00 175.26 174.20 1xkx s GLU 178 N -1.71 0.22 0.17 1.61 -1.05 -0.82 -4.97 118.70 112.15 1xkx s GLU 178 Ca 0.22 0.08 -0.33 0.00 -0.15 0.00 0.00 54.97 54.79 1xkx s GLU 178 Cb -0.12 0.10 -0.15 0.00 -0.44 0.00 0.00 34.13 33.52 1xkx s GLU 178 CO 0.13 -0.04 1.25 0.00 0.95 0.00 0.00 175.26 177.56 1xkx n ALA 179 N 2.71 -0.40 -3.04 -0.84 0.00 -1.26 -1.18 120.51 116.51 1xkx n ALA 179 Ca -0.14 0.46 -0.44 0.00 0.00 0.00 0.00 53.44 53.32 1xkx n ALA 179 Cb 0.58 -2.09 -0.01 0.00 0.00 0.00 0.00 19.45 17.93 1xkx n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xkx s ASP 180 N 0.18 7.01 -1.50 0.00 3.68 -1.26 -4.68 116.67 120.09 1xkx s ASP 180 Ca 0.75 -2.89 -0.11 0.00 2.13 0.00 0.00 52.55 52.43 1xkx s ASP 180 Cb -0.83 -2.36 0.00 0.00 -1.45 0.00 0.00 42.92 38.29 1xkx s ASP 180 CO 0.50 -0.72 2.55 -0.67 0.13 0.00 0.00 175.17 176.96 1xkx n ASP 181 N 5.21 6.74 0.14 -0.34 2.03 -1.26 -3.51 116.55 125.55 1xkx n ASP 181 Ca 0.30 -2.78 0.11 0.00 0.52 0.00 0.00 54.79 52.94 1xkx n ASP 181 Cb 0.44 -1.56 0.51 0.00 -0.72 0.00 0.00 41.12 39.79 1xkx n ASP 181 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 1xkx n TRP 182 N 4.19 0.74 0.78 -0.67 4.27 -1.26 -2.14 117.44 123.35 1xkx n TRP 182 Ca 0.64 0.33 0.12 0.00 -3.89 0.00 0.00 57.50 54.70 1xkx n TRP 182 Cb 0.30 -1.03 0.20 0.00 -1.36 0.00 0.00 31.31 29.42 1xkx n TRP 182 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 1xkx n LEU 183 N -2.21 2.97 -0.31 5.67 4.77 -1.26 -4.62 117.00 122.01 1xkx n LEU 183 Ca 0.01 -1.13 -0.07 0.00 -0.03 0.00 0.00 56.01 54.78 1xkx n LEU 183 Cb 0.15 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1xkx n LEU 183 CO 0.15 0.57 0.55 -0.09 -1.33 0.00 0.00 177.39 177.24 1xkx h ARG 184 N 4.26 -0.11 -0.26 3.23 2.43 -1.82 0.09 114.38 122.20 1xkx h ARG 184 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1xkx h ARG 184 Cb 0.92 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1xkx h ARG 184 CO 0.00 -0.07 0.00 0.66 -1.51 0.00 0.00 179.97 179.05 1xkx n TYR 185 N -5.38 0.34 0.00 2.20 4.01 -1.26 -5.04 117.16 112.03 1xkx n TYR 185 Ca 0.04 -0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1xkx n TYR 185 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 1xkx n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xkx n GLY 186 N 1.16 0.32 3.04 2.72 0.00 0.02 -4.96 105.19 107.49 1xkx n GLY 186 Ca 0.15 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 1xkx n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xkx s ASN 187 N -1.40 4.64 0.26 1.61 2.47 -1.26 -4.90 114.94 116.37 1xkx s ASN 187 Ca 0.00 -1.83 0.23 0.00 0.42 0.00 0.00 52.86 51.68 1xkx s ASN 187 Cb 0.00 -1.60 1.00 0.00 -1.45 0.00 0.00 41.25 39.20 1xkx s ASN 187 CO 0.00 -0.30 1.70 -0.81 -3.72 0.00 0.00 177.10 173.97 1xkx n PRO 188 N 4.33 0.19 0.04 0.43 -0.04 -1.26 -3.15 135.00 135.53 1xkx n PRO 188 Ca -0.04 0.45 0.12 0.00 -0.04 0.00 0.00 63.50 63.99 1xkx n PRO 188 Cb 0.42 -1.88 0.25 0.00 -0.04 0.00 0.00 33.50 32.25 1xkx n PRO 188 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1xkx n TRP 189 N -2.23 0.33 -4.00 0.54 7.02 -1.26 -4.88 117.44 112.95 1xkx n TRP 189 Ca 0.02 0.09 -0.34 0.00 -1.02 0.00 0.00 57.50 56.25 1xkx n TRP 189 Cb 0.21 -0.51 -0.06 0.00 -2.42 0.00 0.00 31.31 28.52 1xkx n TRP 189 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 1xkx s GLU 190 N -3.09 3.27 -0.27 -0.99 -1.05 -1.19 -4.13 118.70 111.26 1xkx s GLU 190 Ca 0.09 -0.36 0.02 0.00 -0.15 0.00 0.00 54.97 54.56 1xkx s GLU 190 Cb 0.15 -3.00 0.05 0.00 -0.44 0.00 0.00 34.13 30.90 1xkx s GLU 190 CO 0.69 0.68 -0.09 0.21 0.95 0.00 0.00 175.26 177.71 1xkx s LYS 191 N -1.67 2.34 0.31 -4.83 2.47 0.15 -4.91 119.74 113.59 1xkx s LYS 191 Ca 0.23 -1.30 -0.29 0.00 -1.56 0.00 0.00 55.97 53.05 1xkx s LYS 191 Cb -0.12 -2.95 -0.10 0.00 -1.46 0.00 0.00 37.83 33.19 1xkx s LYS 191 CO 0.14 -0.56 1.39 0.00 0.16 0.00 0.00 175.35 176.48 1xkx s ALA 192 N 1.15 3.56 -0.51 3.13 0.00 -1.26 -0.75 121.76 127.09 1xkx s ALA 192 Ca -0.07 1.35 0.07 0.00 0.00 0.00 0.00 51.96 53.31 1xkx s ALA 192 Cb -0.20 -3.53 0.35 0.00 0.00 0.00 0.00 23.12 19.74 1xkx s ALA 192 CO -0.04 -0.76 0.88 0.54 0.00 0.00 0.00 175.76 176.38 1xkx n ARG 193 N 1.29 2.47 0.02 0.00 5.12 0.20 -4.91 116.66 120.86 1xkx n ARG 193 Ca 0.03 -4.35 0.22 0.00 -1.93 0.00 0.00 57.85 51.82 1xkx n ARG 193 Cb 0.41 -2.05 0.71 0.00 -1.16 0.00 0.00 32.46 30.36 1xkx n ARG 193 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1xkx h PRO 194 N 2.98 0.00 0.00 5.56 0.13 -1.93 0.25 132.00 138.99 1xkx h PRO 194 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1xkx h PRO 194 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1xkx h PRO 194 CO 0.71 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.53 1xkx h GLU 195 N 0.00 0.00 -0.39 0.86 9.09 -1.94 -2.58 114.58 119.62 1xkx h GLU 195 Ca 0.26 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.60 1xkx h GLU 195 Cb 1.37 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.43 1xkx h GLU 195 CO -0.00 0.00 0.04 1.19 0.05 0.00 0.00 179.01 180.29 1xkx n PHE 196 N -2.43 1.35 -1.89 2.06 0.99 0.08 -5.01 117.46 112.60 1xkx n PHE 196 Ca 0.01 -1.04 -0.41 0.00 -0.00 0.00 0.00 57.45 56.01 1xkx n PHE 196 Cb 0.18 -0.43 -0.01 0.00 -1.00 0.00 0.00 39.48 38.23 1xkx n PHE 196 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 1xkx s THR 197 N -2.93 2.24 0.09 4.37 2.01 -0.97 -4.68 115.64 115.78 1xkx s THR 197 Ca 0.46 0.24 0.07 0.00 0.31 0.00 0.00 61.69 62.77 1xkx s THR 197 Cb 0.38 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 1xkx s THR 197 CO 0.09 0.06 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.14 1xkx s LEU 198 N -1.92 2.31 0.13 4.42 1.02 -0.47 -4.93 118.68 119.24 1xkx s LEU 198 Ca 0.52 -0.68 -0.18 0.00 0.02 0.00 0.00 54.13 53.81 1xkx s LEU 198 Cb -0.45 -0.71 -0.07 0.00 0.02 0.00 0.00 46.19 44.98 1xkx s LEU 198 CO 0.60 -0.02 0.61 -2.16 0.02 0.00 0.00 176.35 175.40 1xkx s PRO 199 N -1.95 4.17 -0.05 1.29 0.04 -1.26 0.73 135.00 137.97 1xkx s PRO 199 Ca 0.04 0.73 0.04 0.00 0.04 0.00 0.00 61.00 61.85 1xkx s PRO 199 Cb -0.09 -3.07 -0.00 0.00 0.04 0.00 0.00 34.50 31.37 1xkx s PRO 199 CO 0.03 0.54 -0.19 0.08 0.04 0.00 0.00 177.00 177.50 1xkx s VAL 200 N -1.31 1.57 -0.01 -0.36 1.01 0.97 -4.85 120.40 117.42 1xkx s VAL 200 Ca 0.35 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 1xkx s VAL 200 Cb -0.18 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1xkx s VAL 200 CO 0.20 0.45 0.11 -1.00 0.00 0.00 0.00 175.10 174.85 1xkx s HIS 201 N 0.08 3.36 0.05 5.22 3.76 -1.26 -1.27 115.29 125.23 1xkx s HIS 201 Ca -0.06 0.25 -0.00 0.00 -0.15 0.00 0.00 55.06 55.10 1xkx s HIS 201 Cb -0.13 -1.77 -0.03 0.00 1.11 0.00 0.00 32.58 31.76 1xkx s HIS 201 CO 0.03 0.58 -0.04 -0.06 -0.85 0.00 0.00 174.74 174.40 1xkx s PHE 202 N -1.21 0.53 0.00 1.40 0.40 -0.28 -4.96 117.98 113.85 1xkx s PHE 202 Ca 0.23 -0.89 0.00 0.00 -0.60 0.00 0.00 56.93 55.68 1xkx s PHE 202 Cb -0.12 -0.37 0.00 0.00 0.51 0.00 0.00 43.02 43.04 1xkx s PHE 202 CO 0.14 -0.28 0.00 0.66 0.70 0.00 0.00 175.22 176.44 1xkx n TYR 203 N 0.51 0.00 -4.27 0.36 4.01 0.44 -0.75 117.16 117.45 1xkx n TYR 203 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1xkx n TYR 203 Cb 0.59 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 1xkx n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xkx n GLY 204 N 0.00 -0.89 3.46 2.72 0.00 -1.22 -4.53 105.19 104.73 1xkx n GLY 204 Ca 0.00 -1.19 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 1xkx n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xkx s ARG 205 N 0.00 1.30 -0.19 1.61 1.70 -0.16 -4.86 118.95 118.36 1xkx s ARG 205 Ca 0.00 -0.98 -0.08 0.00 -0.47 0.00 0.00 55.73 54.20 1xkx s ARG 205 Cb 0.00 0.47 -0.04 0.00 -0.57 0.00 0.00 34.95 34.81 1xkx s ARG 205 CO 0.00 -0.53 0.07 0.08 -1.08 0.00 0.00 175.30 173.84 1xkx s VAL 206 N -3.91 4.85 -0.15 4.99 1.01 -1.26 -1.07 120.40 124.86 1xkx s VAL 206 Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 1xkx s VAL 206 Cb 0.01 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 1xkx s VAL 206 CO -0.02 0.45 -0.06 -1.61 0.00 0.00 0.00 175.10 173.86 1xkx s GLU 207 N 0.43 3.59 -0.47 2.72 2.02 0.14 -4.93 118.70 122.21 1xkx s GLU 207 Ca 0.04 -0.57 -0.12 0.00 0.02 0.00 0.00 54.97 54.34 1xkx s GLU 207 Cb -0.12 -2.85 0.10 0.00 0.10 0.00 0.00 34.13 31.36 1xkx s GLU 207 CO 0.00 0.22 0.36 -1.01 0.02 0.00 0.00 175.26 174.85 1xkx s HIS 208 N 0.40 3.31 0.28 1.61 3.76 -1.26 0.64 115.29 124.03 1xkx s HIS 208 Ca -0.06 -1.39 0.05 0.00 -0.15 0.00 0.00 55.06 53.51 1xkx s HIS 208 Cb -0.15 -3.29 0.05 0.00 1.11 0.00 0.00 32.58 30.30 1xkx s HIS 208 CO 0.04 -0.90 0.39 0.25 -0.85 0.00 0.00 174.74 173.66 1xkx n THR 209 N 5.06 0.00 -0.02 1.30 -2.24 -0.89 -5.01 114.28 112.47 1xkx n THR 209 Ca -0.11 -0.92 -0.02 0.00 -2.27 0.00 0.00 64.05 60.72 1xkx n THR 209 Cb 0.42 -0.78 -0.02 0.00 -2.10 0.00 0.00 70.33 67.86 1xkx n THR 209 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1xkx h SER 210 N 0.04 -0.29 -3.57 3.42 0.02 -2.03 -3.33 113.55 107.82 1xkx h SER 210 Ca -0.13 0.04 -0.74 0.00 -0.84 0.00 0.00 61.79 60.11 1xkx h SER 210 Cb 0.60 0.12 -0.29 0.00 0.14 0.00 0.00 62.40 62.97 1xkx h SER 210 CO 0.19 -0.06 -0.23 -1.58 -1.14 0.00 0.00 176.83 174.00 1xkx s GLN 211 N -3.41 2.87 0.00 3.45 2.00 -1.26 -5.01 119.66 118.31 1xkx s GLN 211 Ca -0.02 -2.10 0.00 0.00 -2.00 0.00 0.00 55.36 51.24 1xkx s GLN 211 Cb 0.01 -4.08 0.00 0.00 0.80 0.00 0.00 33.01 29.74 1xkx s GLN 211 CO 0.09 -1.24 0.00 0.41 -0.50 0.00 0.00 175.29 174.06 1xkx n GLY 212 N 4.43 -0.77 3.91 2.59 0.00 -1.25 -5.01 105.19 109.09 1xkx n GLY 212 Ca 0.00 -1.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.08 1xkx n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkx s ALA 213 N -2.53 3.73 -0.02 4.61 0.00 -1.26 -2.10 121.76 124.18 1xkx s ALA 213 Ca 0.00 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.34 1xkx s ALA 213 Cb 0.00 -2.16 -0.00 0.00 0.00 0.00 0.00 23.12 20.96 1xkx s ALA 213 CO 0.00 0.40 -0.12 0.15 0.00 0.00 0.00 175.76 176.19 1xkx s LYS 214 N -3.28 1.14 -0.42 0.00 1.02 0.21 -4.89 119.74 113.52 1xkx s LYS 214 Ca 0.41 -0.41 -0.16 0.00 0.02 0.00 0.00 55.97 55.83 1xkx s LYS 214 Cb -0.11 -1.06 0.02 0.00 -0.52 0.00 0.00 37.83 36.16 1xkx s LYS 214 CO 0.28 0.19 0.38 -0.46 -0.92 0.00 0.00 175.35 174.82 1xkx s TRP 215 N 0.00 3.20 0.39 3.18 -0.00 -1.26 0.28 118.94 124.73 1xkx s TRP 215 Ca -0.01 -0.48 0.05 0.00 -0.00 0.00 0.00 56.10 55.67 1xkx s TRP 215 Cb -0.08 -2.78 -0.06 0.00 -0.00 0.00 0.00 33.47 30.55 1xkx s TRP 215 CO 0.00 -0.66 0.04 0.14 -0.00 0.00 0.00 176.95 176.47 1xkx s VAL 216 N 1.94 1.49 -1.53 5.86 -7.23 -0.23 -4.81 120.40 115.89 1xkx s VAL 216 Ca 0.09 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.22 1xkx s VAL 216 Cb -0.18 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 33.99 1xkx s VAL 216 CO 0.12 0.00 0.51 0.47 -0.31 0.00 0.00 175.10 175.89 1xkx n ASP 217 N -0.92 -5.94 -4.90 4.85 8.00 -1.26 -0.99 116.55 115.38 1xkx n ASP 217 Ca -0.06 -0.24 -0.28 0.00 0.71 0.00 0.00 54.79 54.92 1xkx n ASP 217 Cb 0.67 -4.79 -0.00 0.00 -0.02 0.00 0.00 41.12 36.98 1xkx n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1xkx s THR 218 N -3.14 4.89 -0.14 -3.53 -4.23 -1.26 -3.41 115.64 104.82 1xkx s THR 218 Ca 0.25 0.27 -0.10 0.00 -1.18 0.00 0.00 61.69 60.94 1xkx s THR 218 Cb -0.11 -3.86 -0.05 0.00 1.34 0.00 0.00 72.50 69.82 1xkx s THR 218 CO 0.31 -0.86 0.18 -1.10 -0.54 0.00 0.00 174.62 172.62 1xkx s GLN 219 N -4.73 3.83 -0.09 3.99 -0.21 0.07 -4.90 119.66 117.61 1xkx s GLN 219 Ca 0.48 -0.07 -0.01 0.00 0.02 0.00 0.00 55.36 55.78 1xkx s GLN 219 Cb -0.10 -3.30 -0.03 0.00 1.00 0.00 0.00 33.01 30.58 1xkx s GLN 219 CO 0.45 0.55 -0.05 0.08 -2.12 0.00 0.00 175.29 174.20 1xkx s VAL 220 N -0.40 3.82 -0.01 1.09 1.01 -1.26 -1.13 120.40 123.52 1xkx s VAL 220 Ca 0.14 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.75 1xkx s VAL 220 Cb -0.12 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 1xkx s VAL 220 CO 0.03 0.57 -0.18 -0.69 0.00 0.00 0.00 175.10 174.84 1xkx s VAL 221 N -0.51 1.41 0.14 2.92 1.01 -0.40 -4.47 120.40 120.50 1xkx s VAL 221 Ca 0.08 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 1xkx s VAL 221 Cb -0.12 -1.18 -0.07 0.00 0.00 0.00 0.00 36.38 35.01 1xkx s VAL 221 CO 0.02 0.37 0.50 -0.76 0.00 0.00 0.00 175.10 175.23 1xkx s LEU 222 N -0.50 4.31 -0.29 3.92 1.43 0.14 -0.02 118.68 127.67 1xkx s LEU 222 Ca 0.07 0.95 -0.04 0.00 -1.03 0.00 0.00 54.13 54.08 1xkx s LEU 222 Cb -0.07 -3.26 0.03 0.00 0.03 0.00 0.00 46.19 42.92 1xkx s LEU 222 CO -0.00 0.09 0.02 0.00 0.23 0.00 0.00 176.35 176.69 1xkx s ALA 223 N -1.51 2.89 -0.24 4.21 0.00 0.22 -0.63 121.76 126.70 1xkx s ALA 223 Ca 0.38 -1.55 -0.09 0.00 0.00 0.00 0.00 51.96 50.69 1xkx s ALA 223 Cb -0.14 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 1xkx s ALA 223 CO 0.19 -1.01 0.13 1.41 0.00 0.00 0.00 175.76 176.48 1xkx s MET 224 N 1.38 3.92 0.24 0.00 1.75 0.48 -1.37 119.30 125.70 1xkx s MET 224 Ca -0.00 -0.35 -0.19 0.00 -1.25 0.00 0.00 55.69 53.89 1xkx s MET 224 Cb -0.18 -3.46 -0.08 0.00 2.84 0.00 0.00 34.83 33.95 1xkx s MET 224 CO -0.01 -0.03 0.74 -1.25 -0.65 0.00 0.00 175.02 173.83 1xkx s PRO 225 N 1.25 4.24 -0.12 4.11 0.04 -1.26 -0.53 135.00 142.73 1xkx s PRO 225 Ca 0.06 0.87 0.01 0.00 0.04 0.00 0.00 61.00 61.99 1xkx s PRO 225 Cb -0.14 -2.82 0.02 0.00 0.04 0.00 0.00 34.50 31.59 1xkx s PRO 225 CO 0.05 0.36 -0.15 0.71 0.04 0.00 0.00 177.00 178.01 1xkx s TYR 226 N -1.58 2.08 -0.16 0.56 1.51 0.02 -0.62 117.35 119.16 1xkx s TYR 226 Ca 0.45 -1.05 -0.07 0.00 -1.01 0.00 0.00 57.07 55.38 1xkx s TYR 226 Cb -0.16 -1.50 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 1xkx s TYR 226 CO 0.21 -0.55 0.09 -0.51 -1.11 0.00 0.00 175.55 173.68 1xkx s ASP 227 N 1.14 5.95 -0.10 2.29 -0.00 0.07 -1.28 116.67 124.74 1xkx s ASP 227 Ca -0.03 0.23 0.04 0.00 -0.00 0.00 0.00 52.55 52.79 1xkx s ASP 227 Cb -0.14 -1.98 0.00 0.00 -0.00 0.00 0.00 42.92 40.80 1xkx s ASP 227 CO -0.05 0.26 -0.23 -0.89 -0.00 0.00 0.00 175.17 174.26 1xkx s THR 228 N -0.11 1.98 0.33 -1.27 2.01 -0.41 0.30 115.64 118.46 1xkx s THR 228 Ca 0.08 -0.97 -0.28 0.00 0.31 0.00 0.00 61.69 60.84 1xkx s THR 228 Cb -0.12 -1.72 -0.09 0.00 0.01 0.00 0.00 72.50 70.58 1xkx s THR 228 CO 0.01 0.54 1.15 -2.16 -0.69 0.00 0.00 174.62 173.47 1xkx s PRO 229 N 0.43 4.41 -0.41 4.92 0.04 -1.26 -1.09 135.00 142.04 1xkx s PRO 229 Ca -0.17 1.88 0.03 0.00 0.04 0.00 0.00 61.00 62.77 1xkx s PRO 229 Cb -0.18 -3.00 0.12 0.00 0.04 0.00 0.00 34.50 31.48 1xkx s PRO 229 CO 0.07 -0.02 0.17 0.08 0.04 0.00 0.00 177.00 177.34 1xkx s VAL 230 N -1.25 1.95 0.16 -0.36 1.01 0.84 -4.89 120.40 117.85 1xkx s VAL 230 Ca 0.49 -2.55 -0.30 0.00 0.00 0.00 0.00 61.98 59.62 1xkx s VAL 230 Cb -0.33 -2.40 -0.07 0.00 0.00 0.00 0.00 36.38 33.58 1xkx s VAL 230 CO 0.42 -0.74 1.15 -2.16 0.00 0.00 0.00 175.10 173.77 1xkx s PRO 231 N 0.51 4.53 0.77 2.72 0.04 -1.26 -0.62 135.00 141.70 1xkx s PRO 231 Ca 0.14 1.78 -0.12 0.00 0.04 0.00 0.00 61.00 62.85 1xkx s PRO 231 Cb -0.22 -3.28 0.06 0.00 0.04 0.00 0.00 34.50 31.10 1xkx s PRO 231 CO -0.06 -0.04 1.15 0.20 0.04 0.00 0.00 177.00 178.28 1xkx s GLY 232 N 0.17 1.60 -0.56 0.56 0.00 0.11 -4.77 107.32 104.44 1xkx s GLY 232 Ca 0.52 -0.52 -0.28 0.00 0.00 0.00 0.00 44.72 44.44 1xkx s GLY 232 CO 0.35 -0.08 1.29 -0.47 0.00 0.00 0.00 173.10 174.20 1xkx s TYR 233 N -3.48 2.47 -0.82 1.90 6.14 -1.26 -4.19 117.35 118.12 1xkx s TYR 233 Ca 0.61 0.47 -0.01 0.00 0.64 0.00 0.00 57.07 58.78 1xkx s TYR 233 Cb -0.11 -4.45 0.01 0.00 0.42 0.00 0.00 41.96 37.82 1xkx s TYR 233 CO 0.50 -1.76 0.03 0.54 0.64 0.00 0.00 175.55 175.51 1xkx n ARG 234 N 8.48 -2.48 -0.03 4.97 3.00 0.36 -4.79 116.66 126.16 1xkx n ARG 234 Ca 0.11 0.44 0.01 0.00 -0.01 0.00 0.00 57.85 58.40 1xkx n ARG 234 Cb 0.49 -5.03 0.03 0.00 0.00 0.00 0.00 32.46 27.95 1xkx n ARG 234 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1xkx n ASN 235 N -1.76 1.90 -0.64 0.55 2.04 -1.26 -4.93 115.26 111.15 1xkx n ASN 235 Ca -0.10 -1.73 -0.08 0.00 -0.44 0.00 0.00 54.58 52.22 1xkx n ASN 235 Cb 0.58 -0.03 -0.04 0.00 -2.53 0.00 0.00 39.78 37.76 1xkx n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1xkx n ASN 236 N -0.16 -5.15 -4.78 0.53 3.02 -1.26 -1.06 115.26 106.39 1xkx n ASN 236 Ca 0.02 0.21 -0.37 0.00 -0.03 0.00 0.00 54.58 54.40 1xkx n ASN 236 Cb 0.22 -3.39 -0.06 0.00 -0.61 0.00 0.00 39.78 35.94 1xkx n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xkx s VAL 237 N -1.93 5.18 -0.22 2.41 1.01 -1.26 -4.77 120.40 120.81 1xkx s VAL 237 Ca 0.00 0.73 -0.03 0.00 0.00 0.00 0.00 61.98 62.68 1xkx s VAL 237 Cb 0.00 -3.69 0.07 0.00 0.00 0.00 0.00 36.38 32.76 1xkx s VAL 237 CO 0.00 0.48 0.06 -0.69 0.00 0.00 0.00 175.10 174.94 1xkx s VAL 238 N -0.28 0.50 0.59 2.92 1.01 -1.26 0.04 120.40 123.93 1xkx s VAL 238 Ca 0.21 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 1xkx s VAL 238 Cb -0.15 -1.12 0.12 0.00 0.00 0.00 0.00 36.38 35.23 1xkx s VAL 238 CO 0.09 -0.35 0.81 0.59 0.00 0.00 0.00 175.10 176.24 1xkx n ASN 239 N 5.04 0.86 -4.19 3.32 3.02 0.21 -4.67 115.26 118.85 1xkx n ASN 239 Ca -0.07 -1.78 -0.26 0.00 -0.03 0.00 0.00 54.58 52.44 1xkx n ASN 239 Cb 0.46 -0.55 -0.16 0.00 -0.61 0.00 0.00 39.78 38.93 1xkx n ASN 239 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xkx s THR 240 N -2.47 1.53 -0.28 3.41 2.01 -1.26 -0.11 115.64 118.47 1xkx s THR 240 Ca 0.52 -0.82 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 1xkx s THR 240 Cb -0.03 -1.28 0.03 0.00 0.01 0.00 0.00 72.50 71.23 1xkx s THR 240 CO 0.35 0.43 0.00 -0.32 -0.69 0.00 0.00 174.62 174.39 1xkx s MET 241 N -0.40 2.82 -0.27 4.92 1.75 -0.25 -1.91 119.30 125.97 1xkx s MET 241 Ca 0.06 -1.01 -0.09 0.00 -1.25 0.00 0.00 55.69 53.41 1xkx s MET 241 Cb -0.08 -3.16 -0.03 0.00 2.84 0.00 0.00 34.83 34.40 1xkx s MET 241 CO -0.00 -0.47 0.12 0.50 -0.65 0.00 0.00 175.02 174.52 1xkx s ARG 242 N 1.37 3.68 -0.13 4.11 3.52 0.20 -1.29 118.95 130.41 1xkx s ARG 242 Ca -0.00 -0.48 -0.01 0.00 -0.13 0.00 0.00 55.73 55.11 1xkx s ARG 242 Cb -0.18 -3.45 -0.02 0.00 -1.56 0.00 0.00 34.95 29.74 1xkx s ARG 242 CO -0.01 -0.23 -0.11 -0.51 -0.81 0.00 0.00 175.30 173.63 1xkx s LEU 243 N 1.65 2.86 0.07 -0.88 1.02 -0.40 -1.77 118.68 121.23 1xkx s LEU 243 Ca 0.06 -0.26 -0.15 0.00 0.02 0.00 0.00 54.13 53.80 1xkx s LEU 243 Cb -0.16 -1.65 -0.06 0.00 0.02 0.00 0.00 46.19 44.34 1xkx s LEU 243 CO 0.06 0.19 0.49 0.26 0.02 0.00 0.00 176.35 177.37 1xkx s TRP 244 N 0.22 3.70 -0.04 0.29 0.52 -0.35 -0.80 118.94 122.48 1xkx s TRP 244 Ca -0.07 1.06 0.06 0.00 0.02 0.00 0.00 56.10 57.17 1xkx s TRP 244 Cb -0.15 -2.35 -0.01 0.00 -1.15 0.00 0.00 33.47 29.81 1xkx s TRP 244 CO 0.05 0.55 -0.23 0.45 0.02 0.00 0.00 176.95 177.79 1xkx s SER 245 N -1.36 2.82 0.03 2.95 0.15 0.31 -0.77 113.70 117.83 1xkx s SER 245 Ca 0.30 -0.46 -0.30 0.00 0.70 0.00 0.00 55.95 56.19 1xkx s SER 245 Cb -0.17 -0.66 -0.04 0.00 -1.71 0.00 0.00 66.02 63.44 1xkx s SER 245 CO 0.17 0.24 0.99 0.00 1.20 0.00 0.00 173.24 175.84 1xkx s ALA 246 N -0.22 3.20 -0.04 5.45 0.00 -1.26 -0.38 121.76 128.50 1xkx s ALA 246 Ca -0.01 0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.54 1xkx s ALA 246 Cb -0.12 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.68 1xkx s ALA 246 CO 0.02 -0.20 -0.05 0.15 0.00 0.00 0.00 175.76 175.69 1xkx s LYS 247 N 0.75 0.82 0.29 0.00 -0.14 0.20 -4.68 119.74 116.97 1xkx s LYS 247 Ca 0.51 -0.12 -0.28 0.00 -1.36 0.00 0.00 55.97 54.72 1xkx s LYS 247 Cb -0.22 -0.82 -0.09 0.00 -1.68 0.00 0.00 37.83 35.02 1xkx s LYS 247 CO 0.29 -0.06 0.99 0.00 -0.76 0.00 0.00 175.35 175.80 1xkx s ALA 248 N 0.81 3.30 0.88 5.17 0.00 -1.26 0.26 121.76 130.92 1xkx s ALA 248 Ca -0.11 0.66 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 1xkx s ALA 248 Cb -0.14 -3.23 0.12 0.00 0.00 0.00 0.00 23.12 19.87 1xkx s ALA 248 CO 0.00 0.08 1.09 -1.25 0.00 0.00 0.00 175.76 175.69 1xkx s PRO 249 N -1.59 1.35 0.39 0.00 0.04 -1.26 -4.86 135.00 129.07 1xkx s PRO 249 Ca 0.46 1.02 0.21 0.00 0.04 0.00 0.00 61.00 62.73 1xkx s PRO 249 Cb -0.25 -1.80 0.50 0.00 0.04 0.00 0.00 34.50 32.98 1xkx s PRO 249 CO 0.31 -2.23 1.65 -0.91 0.04 0.00 0.00 177.00 175.86 1xkx h ASN 250 N -1.55 0.00 -0.11 6.66 2.35 -1.99 -2.74 115.58 118.20 1xkx h ASN 250 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 1xkx h ASN 250 Cb 1.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.64 1xkx h ASN 250 CO 0.51 0.25 0.00 -0.90 -1.65 0.00 0.00 177.43 175.64 1xkx n ASP 251 N -3.23 1.01 -4.68 5.81 5.75 -1.26 -4.84 116.55 115.11 1xkx n ASP 251 Ca 0.02 -1.62 -0.46 0.00 -0.01 0.00 0.00 54.79 52.72 1xkx n ASP 251 Cb 0.56 -0.07 -0.04 0.00 -1.03 0.00 0.00 41.12 40.54 1xkx n ASP 251 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1xkx n PHE 252 N -0.10 2.34 -0.81 2.11 7.35 -1.04 -1.20 117.46 126.12 1xkx n PHE 252 Ca 0.15 0.12 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 1xkx n PHE 252 Cb 0.22 -2.61 0.00 0.00 0.35 0.00 0.00 39.48 37.44 1xkx n PHE 252 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1xkx n ASN 253 N 4.80 -3.41 -4.17 -2.13 4.13 -1.26 -4.80 115.26 108.42 1xkx n ASN 253 Ca 0.19 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 56.10 1xkx n ASN 253 Cb 0.30 -2.91 -0.13 0.00 -1.54 0.00 0.00 39.78 35.50 1xkx n ASN 253 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1xkx s LEU 254 N 0.00 4.23 0.99 3.41 1.43 -0.34 -4.83 118.68 123.57 1xkx s LEU 254 Ca 0.00 -1.43 -0.17 0.00 -1.03 0.00 0.00 54.13 51.51 1xkx s LEU 254 Cb 0.00 -1.75 -0.11 0.00 0.03 0.00 0.00 46.19 44.36 1xkx s LEU 254 CO 0.00 -0.33 -0.56 0.61 0.23 0.00 0.00 176.35 176.31 1xkx n GLY 261 N 4.63 -3.94 0.21 -3.19 0.00 -1.26 -4.86 105.19 96.78 1xkx n GLY 261 Ca -0.11 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 1xkx n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1xkx h TYR 262 N -1.15 -0.41 -0.29 1.61 3.20 -2.00 -1.79 116.97 116.14 1xkx h TYR 262 Ca -0.44 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.51 1xkx h TYR 262 Cb 1.30 0.21 -0.05 0.00 1.54 0.00 0.00 36.73 39.74 1xkx h TYR 262 CO 0.24 -0.23 -0.00 0.82 -1.64 0.00 0.00 178.16 177.34 1xkx h ILE 263 N -0.18 0.79 -0.97 1.81 1.08 -2.02 -2.19 117.51 115.83 1xkx h ILE 263 Ca 0.11 -0.03 0.03 0.00 -0.39 0.00 0.00 64.86 64.58 1xkx h ILE 263 Cb 0.35 0.70 -0.05 0.00 -3.07 0.00 0.00 36.82 34.74 1xkx h ILE 263 CO -0.28 0.02 0.63 1.56 -0.69 0.00 0.00 178.15 179.39 1xkx h GLN 264 N 0.08 1.20 -0.84 2.37 1.08 -1.94 -0.99 115.11 116.08 1xkx h GLN 264 Ca 0.14 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1xkx h GLN 264 Cb 0.18 -0.27 -0.04 0.00 -0.05 0.00 0.00 27.48 27.30 1xkx h GLN 264 CO -0.23 0.80 0.56 0.00 -0.95 0.00 0.00 178.83 179.00 1xkx h ALA 265 N 1.39 1.07 -0.37 3.87 0.00 -0.73 0.13 119.26 124.62 1xkx h ALA 265 Ca 0.38 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 1xkx h ALA 265 Cb -0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1xkx h ALA 265 CO -0.11 0.47 -0.25 0.28 0.00 0.00 0.00 179.25 179.63 1xkx h VAL 266 N 1.13 1.28 -0.08 0.00 2.07 -0.88 -2.98 116.25 116.80 1xkx h VAL 266 Ca 0.31 -1.41 -0.07 0.00 0.82 0.00 0.00 66.70 66.35 1xkx h VAL 266 Cb -0.12 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1xkx h VAL 266 CO -0.07 0.47 -0.28 -0.07 0.02 0.00 0.00 177.57 177.64 1xkx h LEU 267 N 0.62 0.14 0.00 2.57 3.38 -0.70 -2.53 115.31 118.79 1xkx h LEU 267 Ca 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xkx h LEU 267 Cb 0.82 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1xkx h LEU 267 CO 0.07 0.43 0.00 0.47 0.09 0.00 0.00 178.44 179.49 1xkx n ASP 268 N -4.16 0.00 0.24 -0.43 8.00 0.43 -2.70 116.55 117.92 1xkx n ASP 268 Ca -0.01 -0.65 0.08 0.00 0.71 0.00 0.00 54.79 54.92 1xkx n ASP 268 Cb 0.36 -0.02 0.60 0.00 -0.02 0.00 0.00 41.12 42.04 1xkx n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1xkx h ARG 269 N 0.00 0.00 -0.92 -1.24 3.08 -1.46 -1.82 114.38 112.02 1xkx h ARG 269 Ca 0.00 0.00 0.23 0.00 0.07 0.00 0.00 59.98 60.28 1xkx h ARG 269 Cb 0.02 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 1xkx h ARG 269 CO 0.00 0.14 0.62 -0.91 -1.07 0.00 0.00 179.97 178.75 1xkx h ASN 270 N 0.00 0.27 -0.15 7.04 -0.26 -1.74 -1.55 115.58 119.19 1xkx h ASN 270 Ca -0.00 0.03 0.03 0.00 -0.56 0.00 0.00 56.30 55.80 1xkx h ASN 270 Cb 0.27 -0.02 -0.03 0.00 -1.06 0.00 0.00 38.32 37.48 1xkx h ASN 270 CO 0.02 0.10 -0.01 -0.07 -1.06 0.00 0.00 177.43 176.40 1xkx h LEU 271 N 0.26 -0.09 -0.40 1.61 4.07 -1.58 -0.42 115.31 118.75 1xkx h LEU 271 Ca 0.47 0.04 -0.18 0.00 0.08 0.00 0.00 57.88 58.29 1xkx h LEU 271 Cb 1.40 0.07 -0.00 0.00 1.08 0.00 0.00 40.66 43.21 1xkx h LEU 271 CO -0.13 -0.02 -0.65 0.00 -1.08 0.00 0.00 178.44 176.56 1xkx h ALA 272 N 1.14 0.58 0.00 1.53 0.00 -1.47 -3.16 119.26 117.87 1xkx h ALA 272 Ca 0.07 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xkx h ALA 272 Cb 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xkx h ALA 272 CO -0.13 0.71 0.00 0.39 0.00 0.00 0.00 179.25 180.22 1xkx n GLU 273 N -3.92 0.02 0.14 0.00 1.02 -0.92 -3.07 120.64 113.91 1xkx n GLU 273 Ca -0.04 0.10 0.12 0.00 -0.02 0.00 0.00 57.16 57.31 1xkx n GLU 273 Cb 0.66 -1.53 0.51 0.00 -0.02 0.00 0.00 31.44 31.07 1xkx n GLU 273 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xkx n ASN 274 N -1.57 0.63 -0.35 1.62 3.02 -0.19 -3.01 115.26 115.41 1xkx n ASN 274 Ca 0.06 0.69 0.03 0.00 -0.03 0.00 0.00 54.58 55.33 1xkx n ASN 274 Cb 0.29 -0.81 0.18 0.00 -0.61 0.00 0.00 39.78 38.83 1xkx n ASN 274 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1xkx h ILE 275 N 0.00 1.03 -0.51 2.41 2.04 -1.75 -2.09 117.51 118.65 1xkx h ILE 275 Ca 0.00 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.42 1xkx h ILE 275 Cb 0.26 -0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.16 1xkx h ILE 275 CO 0.00 0.20 0.07 -1.54 0.00 0.00 0.00 178.15 176.87 1xkx n SER 276 N -4.56 4.72 -0.03 1.72 3.41 -1.16 -4.65 113.62 113.06 1xkx n SER 276 Ca 0.15 -3.09 -0.15 0.00 -0.26 0.00 0.00 58.87 55.52 1xkx n SER 276 Cb 0.22 -0.66 -0.10 0.00 -0.26 0.00 0.00 64.21 63.42 1xkx n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1xkx h ARG 277 N 2.76 0.27 -3.33 4.33 9.65 -1.49 -1.84 114.38 124.74 1xkx h ARG 277 Ca 0.09 -0.24 -0.15 0.00 -1.10 0.00 0.00 59.98 58.57 1xkx h ARG 277 Cb 1.89 0.05 -0.23 0.00 -1.39 0.00 0.00 29.97 30.30 1xkx h ARG 277 CO 0.47 0.90 -0.45 0.54 2.80 0.00 0.00 179.97 184.23 1xkx s VAL 278 N -3.49 0.05 0.08 0.20 0.11 -1.26 -0.61 120.40 115.47 1xkx s VAL 278 Ca -0.15 -0.39 -0.30 0.00 -2.93 0.00 0.00 61.98 58.22 1xkx s VAL 278 Cb 0.03 -0.41 -0.05 0.00 -1.53 0.00 0.00 36.38 34.42 1xkx s VAL 278 CO 0.76 -0.21 1.03 -0.22 -3.33 0.00 0.00 175.10 173.13 1xkx s LEU 279 N -0.78 4.43 -0.03 2.54 2.96 -0.80 -4.99 118.68 122.01 1xkx s LEU 279 Ca -0.09 1.83 -0.30 0.00 -0.22 0.00 0.00 54.13 55.36 1xkx s LEU 279 Cb -0.05 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 1xkx s LEU 279 CO 0.01 -0.22 1.44 -0.31 -1.32 0.00 0.00 176.35 175.95 1xkx s TYR 280 N 0.48 2.66 -0.05 5.38 1.51 -1.26 -4.86 117.35 121.21 1xkx s TYR 280 Ca 0.51 0.70 0.00 0.00 -1.01 0.00 0.00 57.07 57.27 1xkx s TYR 280 Cb -0.25 -3.70 0.05 0.00 -0.11 0.00 0.00 41.96 37.95 1xkx s TYR 280 CO 0.30 -2.68 1.39 -0.35 -1.11 0.00 0.00 175.55 173.10 1xkx n PRO 281 N 5.91 1.12 -3.79 -1.71 -0.04 -1.26 -4.90 135.00 130.33 1xkx n PRO 281 Ca 0.14 -0.27 -0.37 0.00 -0.04 0.00 0.00 63.50 62.96 1xkx n PRO 281 Cb 0.43 -1.11 -0.07 0.00 -0.04 0.00 0.00 33.50 32.72 1xkx n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1xkx s ASN 282 N 1.09 6.39 -0.21 3.54 0.01 -1.26 -4.40 114.94 120.11 1xkx s ASN 282 Ca 0.05 0.46 -0.01 0.00 -0.71 0.00 0.00 52.86 52.66 1xkx s ASN 282 Cb 0.04 -2.10 0.02 0.00 0.41 0.00 0.00 41.25 39.62 1xkx s ASN 282 CO 0.01 0.33 -0.13 -0.62 -1.51 0.00 0.00 177.10 175.18 1xkx s ASP 283 N -0.63 3.69 -1.36 -1.22 2.15 -1.26 -4.67 116.67 113.37 1xkx s ASP 283 Ca 0.14 -0.65 -0.07 0.00 0.43 0.00 0.00 52.55 52.40 1xkx s ASP 283 Cb -0.12 -1.58 0.02 0.00 -0.30 0.00 0.00 42.92 40.94 1xkx s ASP 283 CO 0.03 -0.03 1.03 0.59 -0.17 0.00 0.00 175.17 176.63 1xkx n ASN 284 N 4.67 -4.40 -3.67 -0.34 3.02 -1.26 -4.99 115.26 108.29 1xkx n ASN 284 Ca -0.19 -0.65 -0.09 0.00 -0.03 0.00 0.00 54.58 53.62 1xkx n ASN 284 Cb 0.49 -4.65 -0.10 0.00 -0.61 0.00 0.00 39.78 34.92 1xkx n ASN 284 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1xkx s PHE 285 N -3.37 -0.76 -0.18 3.10 5.36 -1.26 -4.26 117.98 116.61 1xkx s PHE 285 Ca 0.40 1.52 -0.18 0.00 -0.96 0.00 0.00 56.93 57.72 1xkx s PHE 285 Cb -0.19 0.35 -0.04 0.00 -0.34 0.00 0.00 43.02 42.81 1xkx s PHE 285 CO 0.77 -0.42 0.50 0.12 -1.46 0.00 0.00 175.22 174.72 1xkx s PHE 286 N 1.85 3.41 -0.28 10.12 5.99 0.68 -4.86 117.98 134.88 1xkx s PHE 286 Ca -0.07 0.79 0.03 0.00 0.00 0.00 0.00 56.93 57.68 1xkx s PHE 286 Cb -0.09 -2.63 0.07 0.00 0.00 0.00 0.00 43.02 40.37 1xkx s PHE 286 CO -0.14 -0.02 -0.06 -2.00 -0.00 0.00 0.00 175.22 172.99 1xkx s GLU 287 N 1.34 2.01 -1.42 10.12 2.12 -1.26 -4.94 118.70 126.66 1xkx s GLU 287 Ca 0.24 -1.49 -0.12 0.00 0.36 0.00 0.00 54.97 53.95 1xkx s GLU 287 Cb -0.15 -2.97 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 1xkx s GLU 287 CO 0.10 -0.68 2.50 0.41 -0.54 0.00 0.00 175.26 177.05 1xkx n GLY 288 N 4.38 4.08 3.90 -1.50 0.00 -1.26 -4.92 105.19 109.87 1xkx n GLY 288 Ca -0.09 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 1xkx n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xkx s LYS 289 N 2.94 3.54 0.23 1.61 -0.14 -1.26 -5.00 119.74 121.66 1xkx s LYS 289 Ca 0.57 -0.18 -0.07 0.00 -1.36 0.00 0.00 55.97 54.93 1xkx s LYS 289 Cb 0.15 -3.03 0.31 0.00 -1.68 0.00 0.00 37.83 33.58 1xkx s LYS 289 CO -0.06 0.61 1.82 1.49 -0.76 0.00 0.00 175.35 178.46 1xkx h GLU 290 N 3.61 0.76 -0.89 1.68 4.81 -2.00 -2.01 114.58 120.54 1xkx h GLU 290 Ca -0.48 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 58.77 1xkx h GLU 290 Cb 1.18 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 30.33 1xkx h GLU 290 CO 0.69 0.50 0.55 1.25 -0.73 0.00 0.00 179.01 181.28 1xkx h LEU 291 N 0.78 0.86 -0.71 1.64 5.85 -1.98 -0.34 115.31 121.42 1xkx h LEU 291 Ca 0.35 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 59.04 1xkx h LEU 291 Cb 0.24 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1xkx h LEU 291 CO -0.20 0.54 0.26 -0.09 -0.34 0.00 0.00 178.44 178.61 1xkx h ARG 292 N 0.99 1.08 -0.51 1.25 9.65 -1.73 -1.35 114.38 123.76 1xkx h ARG 292 Ca 0.39 -0.21 -0.06 0.00 -1.10 0.00 0.00 59.98 59.00 1xkx h ARG 292 Cb 0.20 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 1xkx h ARG 292 CO -0.18 0.90 0.06 1.25 2.80 0.00 0.00 179.97 184.80 1xkx h LEU 293 N 1.02 0.77 -0.70 3.80 5.85 -0.81 -1.25 115.31 123.99 1xkx h LEU 293 Ca 0.23 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1xkx h LEU 293 Cb 0.25 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1xkx h LEU 293 CO -0.01 0.80 0.21 0.11 -0.34 0.00 0.00 178.44 179.20 1xkx h LYS 294 N 0.77 1.10 -0.63 1.25 1.57 -0.60 -1.48 116.57 118.55 1xkx h LYS 294 Ca 0.16 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1xkx h LYS 294 Cb 0.38 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1xkx h LYS 294 CO 0.01 0.95 0.25 1.96 -0.57 0.00 0.00 179.45 182.05 1xkx h GLN 295 N 1.03 0.94 -0.74 3.15 4.20 -0.73 0.81 115.11 123.77 1xkx h GLN 295 Ca 0.22 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 1xkx h GLN 295 Cb 0.32 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 1xkx h GLN 295 CO -0.00 0.79 0.28 0.93 -0.67 0.00 0.00 178.83 180.16 1xkx h GLU 296 N 0.88 1.12 -0.03 1.46 5.08 -0.86 -2.24 114.58 119.99 1xkx h GLU 296 Ca 0.21 -0.21 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 1xkx h GLU 296 Cb 0.20 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.29 1xkx h GLU 296 CO -0.02 0.92 -0.97 -0.92 -1.00 0.00 0.00 179.01 177.03 1xkx h TYR 297 N 1.07 0.94 -0.31 4.33 3.20 -1.07 -3.00 116.97 122.13 1xkx h TYR 297 Ca 0.24 -0.49 0.07 0.00 3.14 0.00 0.00 58.73 61.69 1xkx h TYR 297 Cb 0.24 -0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.32 1xkx h TYR 297 CO 0.02 1.32 -0.14 0.35 -1.64 0.00 0.00 178.16 178.07 1xkx h PHE 298 N 0.38 -0.33 -0.60 -3.82 3.57 -0.68 0.31 116.94 115.77 1xkx h PHE 298 Ca -0.10 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.35 1xkx h PHE 298 Cb 1.61 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 40.52 1xkx h PHE 298 CO 0.09 -0.21 0.08 -0.24 -2.23 0.00 0.00 178.31 175.80 1xkx h VAL 299 N -0.09 1.26 -0.24 1.41 3.04 -1.47 -2.53 116.25 117.63 1xkx h VAL 299 Ca 0.16 -1.03 -0.05 0.00 -1.01 0.00 0.00 66.70 64.77 1xkx h VAL 299 Cb 0.33 0.76 -0.01 0.00 -2.01 0.00 0.00 31.29 30.36 1xkx h VAL 299 CO -0.37 0.38 -0.05 0.58 -1.01 0.00 0.00 177.57 177.09 1xkx h VAL 300 N 0.91 1.28 -0.19 1.51 2.07 -1.26 -1.83 116.25 118.74 1xkx h VAL 300 Ca 0.18 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1xkx h VAL 300 Cb 0.45 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1xkx h VAL 300 CO 0.02 0.33 0.07 0.00 0.02 0.00 0.00 177.57 178.01 1xkx h ALA 301 N 0.76 0.24 -0.37 1.67 0.00 -0.41 -0.76 119.26 120.40 1xkx h ALA 301 Ca 0.06 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1xkx h ALA 301 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1xkx h ALA 301 CO 0.02 -0.16 0.01 0.00 0.00 0.00 0.00 179.25 179.12 1xkx h ALA 302 N 0.92 0.50 -0.06 0.00 0.00 -1.51 -2.90 119.26 116.20 1xkx h ALA 302 Ca 0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1xkx h ALA 302 Cb 0.18 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xkx h ALA 302 CO -0.01 0.26 0.04 1.15 0.00 0.00 0.00 179.25 180.69 1xkx h THR 303 N 0.47 1.06 -0.99 0.00 2.02 -1.27 -2.23 112.91 111.97 1xkx h THR 303 Ca 0.11 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 67.14 1xkx h THR 303 Cb 0.45 1.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.87 1xkx h THR 303 CO 0.02 0.05 0.65 -0.07 0.37 0.00 0.00 175.52 176.54 1xkx h LEU 304 N 0.04 1.11 -0.71 2.58 3.38 -1.15 0.14 115.31 120.69 1xkx h LEU 304 Ca 0.02 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1xkx h LEU 304 Cb 0.05 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1xkx h LEU 304 CO -0.00 0.79 0.22 1.56 0.09 0.00 0.00 178.44 181.10 1xkx h GLN 305 N 1.30 1.11 -0.55 1.13 4.20 -1.42 -0.15 115.11 120.73 1xkx h GLN 305 Ca 0.37 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 1xkx h GLN 305 Cb -0.09 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 1xkx h GLN 305 CO -0.10 0.95 0.19 0.22 -0.67 0.00 0.00 178.83 179.42 1xkx h ASP 306 N 1.05 0.78 -0.38 1.46 -0.00 -0.72 0.27 116.42 118.89 1xkx h ASP 306 Ca 0.23 -0.20 -0.03 0.00 -0.00 0.00 0.00 57.03 57.04 1xkx h ASP 306 Cb 0.30 -0.20 -0.02 0.00 -0.00 0.00 0.00 39.33 39.41 1xkx h ASP 306 CO -0.01 0.77 0.14 0.40 -0.00 0.00 0.00 179.24 180.54 1xkx h ILE 307 N 0.76 1.20 -0.47 2.25 2.04 -0.42 -1.86 117.51 121.01 1xkx h ILE 307 Ca 0.18 -0.64 -0.10 0.00 1.00 0.00 0.00 64.86 65.30 1xkx h ILE 307 Cb 0.26 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1xkx h ILE 307 CO -0.01 0.23 -0.08 0.40 0.00 0.00 0.00 178.15 178.69 1xkx h ILE 308 N 0.47 1.27 -0.31 -0.67 2.04 -0.87 -1.27 117.51 118.17 1xkx h ILE 308 Ca 0.13 -1.19 0.04 0.00 1.00 0.00 0.00 64.86 64.84 1xkx h ILE 308 Cb 0.22 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1xkx h ILE 308 CO -0.01 0.41 0.07 -0.09 0.00 0.00 0.00 178.15 178.53 1xkx h ARG 309 N 0.73 0.18 -0.77 2.37 2.43 -0.82 0.33 114.38 118.83 1xkx h ARG 309 Ca 0.12 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1xkx h ARG 309 Cb 0.62 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 1xkx h ARG 309 CO 0.04 0.12 0.40 -0.09 -1.51 0.00 0.00 179.97 178.92 1xkx h ARG 310 N 0.18 1.09 0.04 0.20 2.43 -1.17 -2.96 114.38 114.19 1xkx h ARG 310 Ca 0.14 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1xkx h ARG 310 Cb 0.15 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1xkx h ARG 310 CO -0.19 0.82 -0.02 0.35 -1.51 0.00 0.00 179.97 179.42 1xkx h PHE 311 N 1.09 -0.05 0.00 2.20 3.57 -0.44 -2.80 116.94 120.50 1xkx h PHE 311 Ca 0.27 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1xkx h PHE 311 Cb 0.07 0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1xkx h PHE 311 CO 0.01 0.18 0.13 1.63 -2.23 0.00 0.00 178.31 178.03 1xkx n LYS 312 N -5.01 0.05 -0.06 1.11 5.02 0.03 -2.28 118.16 117.02 1xkx n LYS 312 Ca -0.08 0.49 -0.04 0.00 -2.02 0.00 0.00 58.31 56.66 1xkx n LYS 312 Cb 0.14 -1.80 -0.01 0.00 -0.02 0.00 0.00 35.03 33.34 1xkx n LYS 312 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1xkx n SER 313 N -1.74 1.48 0.00 4.39 7.64 -1.08 -4.96 113.62 119.36 1xkx n SER 313 Ca -0.01 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1xkx n SER 313 Cb 0.14 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 1xkx n SER 313 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1xkx n SER 314 N -4.16 0.00 0.00 6.43 7.64 -0.97 -5.15 113.62 117.41 1xkx n SER 314 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1xkx n SER 314 Cb 0.25 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1xkx n SER 314 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1xkx n THR 324 N 0.00 0.00 -3.71 0.44 -2.24 -1.26 -5.07 114.28 102.45 1xkx n THR 324 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1xkx n THR 324 Cb 0.00 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 1xkx n THR 324 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1xkx s ASN 325 N 0.65 5.27 0.00 3.42 3.04 -1.26 -4.89 114.94 121.17 1xkx s ASN 325 Ca 0.00 -2.88 0.01 0.00 0.04 0.00 0.00 52.86 50.03 1xkx s ASN 325 Cb 0.00 -1.86 0.07 0.00 -1.54 0.00 0.00 41.25 37.92 1xkx s ASN 325 CO 0.00 -0.37 0.50 0.49 -3.04 0.00 0.00 177.10 174.69 1xkx n PHE 326 N 3.46 0.00 -0.06 0.43 3.72 -1.26 -2.80 117.46 120.95 1xkx n PHE 326 Ca 0.08 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.56 1xkx n PHE 326 Cb 0.38 0.00 0.45 0.00 -0.94 0.00 0.00 39.48 39.37 1xkx n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1xkx h ASP 327 N 0.00 0.44 0.00 4.37 5.19 -1.98 0.15 116.42 124.59 1xkx h ASP 327 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1xkx h ASP 327 Cb 0.00 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.41 1xkx h ASP 327 CO 0.00 0.29 -0.01 0.00 -3.12 0.00 0.00 179.24 176.40 1xkx n ALA 328 N -2.49 2.61 -0.13 3.45 0.00 -1.12 -4.26 120.51 118.57 1xkx n ALA 328 Ca 0.07 -0.40 -0.04 0.00 0.00 0.00 0.00 53.44 53.07 1xkx n ALA 328 Cb 0.23 -1.22 0.04 0.00 0.00 0.00 0.00 19.45 18.49 1xkx n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1xkx h PHE 329 N 1.92 0.12 0.00 0.00 3.04 -0.92 -0.65 116.94 120.45 1xkx h PHE 329 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1xkx h PHE 329 Cb 0.42 0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.94 1xkx h PHE 329 CO 0.00 -0.00 0.00 -1.35 -2.02 0.00 0.00 178.31 174.94 1xkx h PRO 330 N 0.20 0.00 0.00 6.41 0.11 -1.74 0.18 132.00 137.17 1xkx h PRO 330 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1xkx h PRO 330 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 1xkx h PRO 330 CO -0.28 0.00 -0.30 -0.44 -0.21 0.00 0.00 178.00 176.77 1xkx h ASP 331 N 0.00 0.00 -0.00 -2.05 3.32 -1.40 -3.33 116.42 112.96 1xkx h ASP 331 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1xkx h ASP 331 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1xkx h ASP 331 CO 0.00 0.00 -0.27 0.29 -1.72 0.00 0.00 179.24 177.54 1xkx n LYS 332 N -2.90 3.97 -3.98 3.56 4.76 -0.73 -4.55 118.16 118.28 1xkx n LYS 332 Ca 0.03 -0.16 -0.15 0.00 -2.87 0.00 0.00 58.31 55.16 1xkx n LYS 332 Cb 0.53 -0.88 -0.15 0.00 -1.84 0.00 0.00 35.03 32.69 1xkx n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1xkx s VAL 333 N -1.48 0.19 -0.06 -0.18 1.01 0.57 -0.82 120.40 119.63 1xkx s VAL 333 Ca 0.04 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1xkx s VAL 333 Cb 0.05 -0.22 0.02 0.00 0.00 0.00 0.00 36.38 36.23 1xkx s VAL 333 CO 0.25 0.09 -0.09 0.00 0.00 0.00 0.00 175.10 175.35 1xkx s ALA 334 N 0.39 1.07 -0.20 5.51 0.00 -0.45 -4.49 121.76 123.59 1xkx s ALA 334 Ca -0.04 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.63 1xkx s ALA 334 Cb -0.06 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.53 1xkx s ALA 334 CO -0.01 0.03 -0.17 0.42 0.00 0.00 0.00 175.76 176.03 1xkx s ILE 335 N 0.83 2.22 -0.23 0.00 1.01 -0.04 -0.28 121.20 124.72 1xkx s ILE 335 Ca -0.12 -1.01 -0.08 0.00 0.00 0.00 0.00 60.65 59.44 1xkx s ILE 335 Cb -0.15 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1xkx s ILE 335 CO 0.02 0.43 0.10 -1.58 0.00 0.00 0.00 174.94 173.91 1xkx s GLN 336 N 1.28 3.88 -0.33 2.79 2.00 0.05 -1.40 119.66 127.93 1xkx s GLN 336 Ca 0.03 -0.37 -0.16 0.00 -2.00 0.00 0.00 55.36 52.85 1xkx s GLN 336 Cb -0.14 -3.38 -0.01 0.00 0.80 0.00 0.00 33.01 30.27 1xkx s GLN 336 CO -0.11 0.01 0.42 -0.51 -0.50 0.00 0.00 175.29 174.60 1xkx s LEU 337 N 1.14 4.31 -0.95 3.68 1.43 0.01 -1.43 118.68 126.88 1xkx s LEU 337 Ca 0.05 -0.03 -0.23 0.00 -1.03 0.00 0.00 54.13 52.89 1xkx s LEU 337 Cb -0.14 -2.45 0.05 0.00 0.03 0.00 0.00 46.19 43.68 1xkx s LEU 337 CO 0.04 -0.35 1.38 0.21 0.23 0.00 0.00 176.35 177.86 1xkx s ASN 338 N 1.72 6.44 0.54 2.29 2.47 -0.69 -2.04 114.94 125.66 1xkx s ASN 338 Ca 0.15 -1.29 0.00 0.00 0.42 0.00 0.00 52.86 52.14 1xkx s ASN 338 Cb -0.16 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 1xkx s ASN 338 CO 0.12 -1.54 0.00 -0.67 -3.72 0.00 0.00 177.10 171.29 1xkx n ASP 339 N 8.80 -1.96 -0.29 -4.21 2.03 -0.19 -4.07 116.55 116.66 1xkx n ASP 339 Ca 0.26 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.70 1xkx n ASP 339 Cb 0.50 0.00 0.47 0.00 -0.72 0.00 0.00 41.12 41.38 1xkx n ASP 339 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1xkx n THR 340 N -0.24 0.00 -0.32 5.18 -2.24 -1.26 -4.33 114.28 111.07 1xkx n THR 340 Ca 0.00 -0.15 0.15 0.00 -2.27 0.00 0.00 64.05 61.78 1xkx n THR 340 Cb 0.00 0.33 0.38 0.00 -2.10 0.00 0.00 70.33 68.94 1xkx n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1xkx h HIS 341 N 1.42 0.91 -0.60 4.78 3.86 -1.96 0.20 115.15 123.75 1xkx h HIS 341 Ca 0.00 0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.08 1xkx h HIS 341 Cb 0.47 -0.27 -0.10 0.00 1.06 0.00 0.00 27.41 28.57 1xkx h HIS 341 CO 0.00 0.21 0.17 -0.35 0.86 0.00 0.00 177.93 178.82 1xkx n PRO 342 N -4.68 3.46 0.23 2.45 -0.04 -1.26 -4.65 135.00 130.51 1xkx n PRO 342 Ca 0.22 -3.07 0.18 0.00 -0.04 0.00 0.00 63.50 60.80 1xkx n PRO 342 Cb 0.62 -2.11 0.87 0.00 -0.04 0.00 0.00 33.50 32.84 1xkx n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xkx h SER 343 N 2.42 0.00 0.19 3.54 4.64 -0.84 -1.12 113.55 122.39 1xkx h SER 343 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1xkx h SER 343 Cb 2.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.18 1xkx h SER 343 CO 0.60 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.74 1xkx n LEU 344 N -3.53 0.00 0.10 5.97 4.77 -1.26 -2.15 117.00 120.91 1xkx n LEU 344 Ca 0.01 0.32 0.03 0.00 -0.03 0.00 0.00 56.01 56.34 1xkx n LEU 344 Cb 0.34 -0.32 0.43 0.00 -2.33 0.00 0.00 43.42 41.54 1xkx n LEU 344 CO 0.24 -0.22 0.99 0.00 -1.33 0.00 0.00 177.39 177.07 1xkx h ALA 345 N 2.42 1.62 0.46 -1.18 0.00 -1.57 -0.60 119.26 120.41 1xkx h ALA 345 Ca 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1xkx h ALA 345 Cb 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xkx h ALA 345 CO 0.00 0.29 -0.22 0.82 0.00 0.00 0.00 179.25 180.13 1xkx h ILE 346 N 0.30 0.44 0.00 0.00 2.04 -1.68 0.27 117.51 118.87 1xkx h ILE 346 Ca 0.07 -0.44 -0.08 0.00 1.00 0.00 0.00 64.86 65.41 1xkx h ILE 346 Cb 0.21 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1xkx h ILE 346 CO 0.00 0.06 -0.37 1.55 0.00 0.00 0.00 178.15 179.39 1xkx h PRO 347 N -0.92 0.00 -0.45 2.37 0.13 -1.74 -2.21 132.00 129.19 1xkx h PRO 347 Ca -0.06 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.92 1xkx h PRO 347 Cb 0.58 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1xkx h PRO 347 CO 0.10 0.37 -0.28 1.49 -0.23 0.00 0.00 178.00 179.46 1xkx h GLU 348 N 0.00 0.98 -0.59 0.86 4.57 -1.08 0.11 114.58 119.42 1xkx h GLU 348 Ca -0.00 -0.45 -0.07 0.00 -1.18 0.00 0.00 59.36 57.65 1xkx h GLU 348 Cb 0.80 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.36 1xkx h GLU 348 CO 0.05 1.12 0.11 1.25 -1.18 0.00 0.00 179.01 180.36 1xkx h LEU 349 N 0.82 0.93 -0.60 1.64 5.85 -0.72 -1.26 115.31 121.98 1xkx h LEU 349 Ca 0.09 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1xkx h LEU 349 Cb 0.87 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1xkx h LEU 349 CO 0.08 0.95 0.27 0.24 -0.34 0.00 0.00 178.44 179.63 1xkx h MET 350 N 0.88 0.87 -0.20 1.25 2.86 -1.21 -1.37 114.93 118.01 1xkx h MET 350 Ca 0.18 -0.14 0.03 0.00 -2.06 0.00 0.00 59.70 57.71 1xkx h MET 350 Cb 0.40 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1xkx h MET 350 CO 0.01 0.72 0.03 -0.09 1.06 0.00 0.00 176.91 178.64 1xkx h ARG 351 N 0.82 0.10 -0.30 1.72 2.43 -0.38 0.13 114.38 118.90 1xkx h ARG 351 Ca 0.20 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1xkx h ARG 351 Cb 0.15 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1xkx h ARG 351 CO -0.02 0.07 0.11 0.28 -1.51 0.00 0.00 179.97 178.89 1xkx h VAL 352 N 0.10 1.19 -0.34 0.20 2.07 -1.06 0.18 116.25 118.60 1xkx h VAL 352 Ca 0.09 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 1xkx h VAL 352 Cb 0.10 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1xkx h VAL 352 CO -0.13 0.21 0.04 -0.07 0.02 0.00 0.00 177.57 177.63 1xkx h LEU 353 N 0.33 0.55 0.10 2.57 3.38 -1.05 0.46 115.31 121.65 1xkx h LEU 353 Ca 0.10 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1xkx h LEU 353 Cb 0.22 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1xkx h LEU 353 CO -0.01 0.69 -0.05 0.58 0.09 0.00 0.00 178.44 179.74 1xkx h VAL 354 N 0.39 0.44 -0.17 1.22 2.07 -0.73 0.91 116.25 120.39 1xkx h VAL 354 Ca 0.10 -1.17 -0.19 0.00 0.82 0.00 0.00 66.70 66.26 1xkx h VAL 354 Cb 0.38 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1xkx h VAL 354 CO 0.01 0.14 -0.67 0.44 0.02 0.00 0.00 177.57 177.51 1xkx h ASP 355 N -1.00 0.75 0.01 0.57 3.45 -0.79 -2.81 116.42 116.60 1xkx h ASP 355 Ca -0.01 -0.45 -0.40 0.00 0.43 0.00 0.00 57.03 56.60 1xkx h ASP 355 Cb 0.33 -0.22 -0.07 0.00 -0.56 0.00 0.00 39.33 38.81 1xkx h ASP 355 CO 0.02 1.21 -2.46 0.18 -1.57 0.00 0.00 179.24 176.62 1xkx n LEU 356 N -3.93 2.81 0.03 1.55 4.77 -0.59 -4.49 117.00 117.15 1xkx n LEU 356 Ca -0.05 -0.05 0.12 0.00 -0.03 0.00 0.00 56.01 56.00 1xkx n LEU 356 Cb 0.68 -0.91 0.17 0.00 -2.33 0.00 0.00 43.42 41.03 1xkx n LEU 356 CO 0.50 0.88 0.32 -0.62 -1.33 0.00 0.00 177.39 177.13 1xkx n GLU 357 N -3.42 0.18 -2.78 3.23 -0.58 0.05 -4.98 120.64 112.34 1xkx n GLU 357 Ca -0.47 0.03 -0.16 0.00 -0.42 0.00 0.00 57.16 56.15 1xkx n GLU 357 Cb 0.98 -1.60 0.02 0.00 -0.57 0.00 0.00 31.44 30.28 1xkx n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1xkx n ARG 358 N -1.84 -3.40 -2.79 3.49 5.12 -0.35 -4.96 116.66 111.92 1xkx n ARG 358 Ca 0.04 0.64 -0.32 0.00 -1.93 0.00 0.00 57.85 56.28 1xkx n ARG 358 Cb 0.40 -4.93 -0.05 0.00 -1.16 0.00 0.00 32.46 26.72 1xkx n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1xkx s LEU 359 N -4.80 3.84 0.63 0.55 1.02 0.17 -4.97 118.68 115.12 1xkx s LEU 359 Ca 0.21 1.38 -0.16 0.00 0.02 0.00 0.00 54.13 55.58 1xkx s LEU 359 Cb -0.09 -4.26 -0.02 0.00 0.02 0.00 0.00 46.19 41.85 1xkx s LEU 359 CO 0.26 -0.40 1.11 1.51 0.02 0.00 0.00 176.35 178.85 1xkx s ASP 360 N -2.76 5.30 0.13 2.29 -4.77 -1.26 -4.38 116.67 111.21 1xkx s ASP 360 Ca 0.56 2.03 -0.31 0.00 -3.30 0.00 0.00 52.55 51.53 1xkx s ASP 360 Cb -0.10 -2.56 -0.09 0.00 -1.09 0.00 0.00 42.92 39.09 1xkx s ASP 360 CO 0.25 -1.50 1.57 -0.25 0.70 0.00 0.00 175.17 175.94 1xkx h TRP 361 N 0.34 -1.41 -0.98 2.11 2.91 -1.97 -1.34 115.95 115.60 1xkx h TRP 361 Ca -0.48 0.06 0.17 0.00 1.13 0.00 0.00 58.89 59.77 1xkx h TRP 361 Cb 1.25 0.64 -0.09 0.00 -0.51 0.00 0.00 29.16 30.44 1xkx h TRP 361 CO 0.54 -0.51 0.61 -0.44 -1.03 0.00 0.00 178.44 177.61 1xkx h ASP 362 N -0.53 0.78 -0.11 2.65 3.45 -1.99 0.15 116.42 120.82 1xkx h ASP 362 Ca 0.06 0.07 -0.04 0.00 0.43 0.00 0.00 57.03 57.55 1xkx h ASP 362 Cb 0.65 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 39.35 1xkx h ASP 362 CO -0.43 0.33 -0.08 0.50 -1.57 0.00 0.00 179.24 177.99 1xkx h LYS 363 N 0.79 0.25 -0.72 3.56 1.63 -1.82 -2.19 116.57 118.06 1xkx h LYS 363 Ca 0.53 -0.12 0.05 0.00 -0.85 0.00 0.00 60.65 60.26 1xkx h LYS 363 Cb 0.80 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.37 1xkx h LYS 363 CO -0.31 0.62 0.43 0.00 -3.45 0.00 0.00 179.45 176.75 1xkx h ALA 364 N 0.62 0.96 -0.77 5.00 0.00 -0.21 -2.02 119.26 122.85 1xkx h ALA 364 Ca 0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1xkx h ALA 364 Cb 0.56 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1xkx h ALA 364 CO 0.02 0.17 0.26 2.35 0.00 0.00 0.00 179.25 182.05 1xkx h TRP 365 N 0.82 1.21 -0.43 0.00 2.91 -0.70 -0.64 115.95 119.12 1xkx h TRP 365 Ca 0.31 -0.11 -0.00 0.00 1.13 0.00 0.00 58.89 60.22 1xkx h TRP 365 Cb 0.11 -0.35 -0.02 0.00 -0.51 0.00 0.00 29.16 28.39 1xkx h TRP 365 CO -0.05 0.94 0.27 1.49 -1.03 0.00 0.00 178.44 180.05 1xkx h GLU 366 N 1.13 0.58 -0.20 2.65 4.81 -0.85 -1.02 114.58 121.68 1xkx h GLU 366 Ca 0.25 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1xkx h GLU 366 Cb 0.28 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1xkx h GLU 366 CO -0.01 0.41 0.07 0.28 -0.73 0.00 0.00 179.01 179.04 1xkx h VAL 367 N 0.57 1.17 -0.14 0.32 2.07 -1.09 -2.45 116.25 116.70 1xkx h VAL 367 Ca 0.15 -0.52 0.03 0.00 0.82 0.00 0.00 66.70 67.18 1xkx h VAL 367 Cb -0.02 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1xkx h VAL 367 CO -0.03 0.17 -0.03 0.74 0.02 0.00 0.00 177.57 178.43 1xkx h THR 368 N 0.16 0.86 -0.65 2.57 2.02 -0.88 -1.41 112.91 115.59 1xkx h THR 368 Ca 0.07 -0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.25 1xkx h THR 368 Cb 0.19 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1xkx h THR 368 CO -0.00 0.00 0.43 0.58 0.37 0.00 0.00 175.52 176.89 1xkx h VAL 369 N 0.00 1.17 0.00 3.16 2.07 -1.16 -0.67 116.25 120.82 1xkx h VAL 369 Ca 0.07 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1xkx h VAL 369 Cb 0.10 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1xkx h VAL 369 CO -0.14 0.16 0.00 0.11 0.02 0.00 0.00 177.57 177.72 1xkx h LYS 370 N 0.88 0.00 0.11 1.57 1.57 -1.20 -2.07 116.57 117.42 1xkx h LYS 370 Ca 0.24 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.66 1xkx h LYS 370 Cb -0.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1xkx h LYS 370 CO -0.05 0.00 -2.01 2.41 -0.57 0.00 0.00 179.45 179.23 1xkx n THR 371 N -2.70 1.75 -3.48 -0.16 -1.04 -0.55 -4.88 114.28 103.22 1xkx n THR 371 Ca 0.02 -0.66 -0.36 0.00 -2.04 0.00 0.00 64.05 61.00 1xkx n THR 371 Cb 0.30 -1.65 -0.06 0.00 -1.82 0.00 0.00 70.33 67.11 1xkx n THR 371 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xkx s ALA 373 N -1.31 0.22 -0.07 0.00 0.00 -0.50 -1.61 121.76 118.48 1xkx s ALA 373 Ca 0.32 -0.21 0.05 0.00 0.00 0.00 0.00 51.96 52.11 1xkx s ALA 373 Cb -0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 1xkx s ALA 373 CO 0.17 0.02 -0.23 -0.47 0.00 0.00 0.00 175.76 175.25 1xkx s TYR 374 N -0.32 2.34 -0.19 0.00 6.14 -0.06 -0.81 117.35 124.44 1xkx s TYR 374 Ca -0.02 -0.82 -0.03 0.00 0.64 0.00 0.00 57.07 56.84 1xkx s TYR 374 Cb -0.03 -1.56 -0.01 0.00 0.42 0.00 0.00 41.96 40.79 1xkx s TYR 374 CO -0.00 -0.30 -0.07 0.99 0.64 0.00 0.00 175.55 176.81 1xkx s THR 375 N 0.13 3.27 -0.03 4.34 2.01 -0.86 -1.50 115.64 123.00 1xkx s THR 375 Ca -0.11 -0.54 -0.14 0.00 0.31 0.00 0.00 61.69 61.21 1xkx s THR 375 Cb -0.15 -2.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 1xkx s THR 375 CO 0.06 0.46 0.37 0.21 -0.69 0.00 0.00 174.62 175.03 1xkx s ASN 376 N 1.16 6.74 -0.10 3.53 3.84 -0.53 -1.02 114.94 128.55 1xkx s ASN 376 Ca 0.02 0.88 0.14 0.00 0.21 0.00 0.00 52.86 54.11 1xkx s ASN 376 Cb -0.14 -2.23 0.22 0.00 -0.55 0.00 0.00 41.25 38.55 1xkx s ASN 376 CO -0.02 0.32 1.10 1.41 -2.79 0.00 0.00 177.10 177.12 1xkx n HIS 377 N 1.97 0.00 -3.59 0.43 8.25 -1.26 -4.09 115.22 116.93 1xkx n HIS 377 Ca -0.14 -0.79 -0.07 0.00 -0.26 0.00 0.00 57.72 56.46 1xkx n HIS 377 Cb 0.53 -0.12 -0.04 0.00 1.12 0.00 0.00 29.99 31.47 1xkx n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1xkx s THR 378 N -2.23 0.00 0.00 1.59 -1.32 -1.26 -4.64 115.64 107.78 1xkx s THR 378 Ca 0.24 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.72 1xkx s THR 378 Cb 0.21 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.20 1xkx s THR 378 CO 0.02 0.00 0.43 1.33 -2.21 0.00 0.00 174.62 174.19 1xkx n VAL 379 N 0.38 0.00 -2.07 5.08 0.24 -1.26 -4.99 118.33 115.72 1xkx n VAL 379 Ca -0.05 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.34 61.38 1xkx n VAL 379 Cb 0.59 1.10 -0.03 0.00 -1.47 0.00 0.00 33.84 34.03 1xkx n VAL 379 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1xkx s LEU 380 N -0.09 4.32 0.34 1.34 1.43 -1.26 -4.90 118.68 119.86 1xkx s LEU 380 Ca 0.00 2.23 0.07 0.00 -1.03 0.00 0.00 54.13 55.40 1xkx s LEU 380 Cb 0.00 -3.55 0.77 0.00 0.03 0.00 0.00 46.19 43.44 1xkx s LEU 380 CO 0.00 -0.86 1.84 1.55 0.23 0.00 0.00 176.35 179.11 1xkx h PRO 381 N 8.81 0.73 0.00 1.29 0.13 -1.97 -0.79 132.00 140.19 1xkx h PRO 381 Ca -0.39 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1xkx h PRO 381 Cb 1.18 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1xkx h PRO 381 CO 0.94 0.48 0.00 -0.85 -0.23 0.00 0.00 178.00 178.34 1xkx n GLU 382 N -4.61 0.06 -0.00 0.86 0.00 -1.26 -2.89 120.64 112.80 1xkx n GLU 382 Ca 0.19 0.17 0.11 0.00 0.00 0.00 0.00 57.16 57.63 1xkx n GLU 382 Cb 0.49 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.29 1xkx n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xkx n ALA 383 N -1.45 3.77 -1.93 -1.84 0.00 -0.31 -0.23 120.51 118.50 1xkx n ALA 383 Ca 0.05 -0.55 -0.41 0.00 0.00 0.00 0.00 53.44 52.53 1xkx n ALA 383 Cb 0.20 -0.77 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 1xkx n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xkx s LEU 384 N -3.78 4.52 -0.14 0.00 1.43 -1.14 -4.25 118.68 115.32 1xkx s LEU 384 Ca 0.00 2.16 -0.27 0.00 -1.03 0.00 0.00 54.13 55.00 1xkx s LEU 384 Cb 0.15 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.74 1xkx s LEU 384 CO 0.89 -0.19 0.90 -1.61 0.23 0.00 0.00 176.35 176.57 1xkx s GLU 385 N -0.79 4.35 -0.33 1.70 2.02 -1.26 -4.78 118.70 119.60 1xkx s GLU 385 Ca 0.47 1.16 -0.01 0.00 0.02 0.00 0.00 54.97 56.61 1xkx s GLU 385 Cb -0.30 -3.56 0.12 0.00 0.10 0.00 0.00 34.13 30.49 1xkx s GLU 385 CO 0.37 -0.31 0.16 1.03 0.02 0.00 0.00 175.26 176.54 1xkx s ARG 386 N 2.06 0.50 0.03 1.61 0.52 -1.26 -2.08 118.95 120.33 1xkx s ARG 386 Ca 0.42 -1.04 -0.26 0.00 -0.52 0.00 0.00 55.73 54.33 1xkx s ARG 386 Cb -0.17 -1.45 -0.05 0.00 0.52 0.00 0.00 34.95 33.80 1xkx s ARG 386 CO 0.15 -1.10 0.81 -1.58 0.02 0.00 0.00 175.30 173.59 1xkx s TRP 387 N 1.49 3.71 0.26 -0.53 0.52 -0.84 -4.70 118.94 118.84 1xkx s TRP 387 Ca 0.13 1.51 -0.31 0.00 0.02 0.00 0.00 56.10 57.45 1xkx s TRP 387 Cb -0.20 -2.88 -0.11 0.00 -1.15 0.00 0.00 33.47 29.13 1xkx s TRP 387 CO -0.18 0.21 1.63 -2.14 0.02 0.00 0.00 176.95 176.49 1xkx s PRO 388 N 0.20 4.13 0.36 4.98 0.02 -1.26 -0.18 135.00 143.24 1xkx s PRO 388 Ca 0.41 2.57 0.05 0.00 0.02 0.00 0.00 61.00 64.05 1xkx s PRO 388 Cb -0.20 -3.05 0.71 0.00 0.02 0.00 0.00 34.50 31.98 1xkx s PRO 388 CO 0.24 -0.66 1.96 0.28 -0.33 0.00 0.00 177.00 178.49 1xkx h VAL 389 N 3.57 1.04 0.00 3.83 2.07 -1.25 -1.73 116.25 123.78 1xkx h VAL 389 Ca -0.45 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1xkx h VAL 389 Cb 1.21 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1xkx h VAL 389 CO 0.85 0.14 -0.07 1.12 0.02 0.00 0.00 177.57 179.64 1xkx h HIS 390 N 0.79 0.00 -0.02 1.57 2.07 -1.90 0.85 115.15 118.51 1xkx h HIS 390 Ca 0.31 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.80 1xkx h HIS 390 Cb 0.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.19 1xkx h HIS 390 CO -0.00 0.07 -0.08 -0.07 -3.07 0.00 0.00 177.93 174.78 1xkx h LEU 391 N 0.00 0.10 -1.12 6.12 3.38 -1.69 -2.82 115.31 119.28 1xkx h LEU 391 Ca -0.00 -0.67 -0.06 0.00 0.09 0.00 0.00 57.88 57.24 1xkx h LEU 391 Cb 0.16 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1xkx h LEU 391 CO 0.01 0.75 -0.03 -0.07 0.09 0.00 0.00 178.44 179.19 1xkx h LEU 392 N -0.56 0.56 -0.68 1.67 3.38 -1.42 -0.12 115.31 118.15 1xkx h LEU 392 Ca -0.01 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1xkx h LEU 392 Cb 0.75 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 1xkx h LEU 392 CO 0.02 0.65 0.40 -0.08 0.09 0.00 0.00 178.44 179.52 1xkx h GLU 393 N 0.55 0.74 0.14 1.13 4.81 -0.85 0.29 114.58 121.39 1xkx h GLU 393 Ca 0.11 -0.04 -0.25 0.00 -0.13 0.00 0.00 59.36 59.05 1xkx h GLU 393 Cb 0.40 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.62 1xkx h GLU 393 CO 0.02 0.49 -1.21 1.15 -0.73 0.00 0.00 179.01 178.73 1xkx h THR 394 N 0.77 1.22 0.25 0.32 2.02 -1.23 -3.30 112.91 112.96 1xkx h THR 394 Ca 0.29 -2.47 -0.33 0.00 0.77 0.00 0.00 66.41 64.66 1xkx h THR 394 Cb 0.10 2.91 0.04 0.00 -1.74 0.00 0.00 68.15 69.46 1xkx h THR 394 CO -0.14 0.72 -1.47 0.25 0.37 0.00 0.00 175.52 175.25 1xkx h LEU 395 N -0.29 0.82 -5.98 2.58 5.85 -1.00 -3.37 115.31 113.93 1xkx h LEU 395 Ca -0.24 -0.92 -0.55 0.00 0.84 0.00 0.00 57.88 57.01 1xkx h LEU 395 Cb 1.76 -0.27 -0.40 0.00 0.37 0.00 0.00 40.66 42.12 1xkx h LEU 395 CO 0.11 1.71 -1.05 0.18 -0.34 0.00 0.00 178.44 179.05 1xkx n LEU 396 N -3.74 0.98 -0.34 2.25 4.77 0.10 -0.42 117.00 120.60 1xkx n LEU 396 Ca -0.17 -4.91 0.10 0.00 -0.03 0.00 0.00 56.01 51.00 1xkx n LEU 396 Cb 1.09 0.45 0.28 0.00 -2.33 0.00 0.00 43.42 42.91 1xkx n LEU 396 CO 0.60 2.14 1.17 1.55 -1.33 0.00 0.00 177.39 181.52 1xkx h PRO 397 N 3.70 0.74 -0.37 3.23 0.13 -1.58 -2.10 132.00 135.75 1xkx h PRO 397 Ca 0.10 -0.04 -0.16 0.00 -0.87 0.00 0.00 66.00 65.02 1xkx h PRO 397 Cb 0.86 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 1xkx h PRO 397 CO 0.53 0.49 -0.39 -0.09 -0.23 0.00 0.00 178.00 178.31 1xkx h ARG 398 N 0.76 0.93 -0.64 0.86 9.65 -1.91 -2.92 114.38 121.11 1xkx h ARG 398 Ca 0.53 -0.50 -0.03 0.00 -1.10 0.00 0.00 59.98 58.89 1xkx h ARG 398 Cb 0.76 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.33 1xkx h ARG 398 CO -0.36 1.15 0.29 0.45 2.80 0.00 0.00 179.97 184.30 1xkx h HIS 399 N 0.74 0.90 -0.59 2.20 3.86 -1.76 -1.16 115.15 119.35 1xkx h HIS 399 Ca 0.06 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1xkx h HIS 399 Cb 0.99 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 29.15 1xkx h HIS 399 CO 0.06 0.67 0.26 1.25 0.86 0.00 0.00 177.93 181.03 1xkx h LEU 400 N 0.90 0.79 -0.49 2.43 6.46 -1.34 0.70 115.31 124.76 1xkx h LEU 400 Ca 0.22 -0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1xkx h LEU 400 Cb 0.12 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.82 1xkx h LEU 400 CO -0.03 0.72 0.27 1.56 -0.62 0.00 0.00 178.44 180.34 1xkx h GLN 401 N 0.80 0.68 -0.66 1.25 4.20 -1.23 -0.72 115.11 119.44 1xkx h GLN 401 Ca 0.20 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 1xkx h GLN 401 Cb 0.16 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 1xkx h GLN 401 CO -0.02 0.54 0.24 0.82 -0.67 0.00 0.00 178.83 179.74 1xkx h ILE 402 N 0.65 1.24 -0.62 2.54 2.04 -0.82 -1.73 117.51 120.80 1xkx h ILE 402 Ca 0.17 -0.76 -0.09 0.00 1.00 0.00 0.00 64.86 65.18 1xkx h ILE 402 Cb 0.05 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1xkx h ILE 402 CO -0.03 0.30 0.03 0.40 0.00 0.00 0.00 178.15 178.86 1xkx h ILE 403 N 0.96 1.26 -0.63 -0.67 2.04 -0.34 -0.46 117.51 119.68 1xkx h ILE 403 Ca 0.22 -1.11 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 1xkx h ILE 403 Cb 0.22 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1xkx h ILE 403 CO -0.02 0.41 0.23 1.88 0.00 0.00 0.00 178.15 180.65 1xkx h TYR 404 N 0.98 0.98 -0.50 1.37 0.05 -0.74 -0.38 116.97 118.74 1xkx h TYR 404 Ca 0.18 -0.09 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 1xkx h TYR 404 Cb 0.52 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 1xkx h TYR 404 CO 0.04 0.79 0.14 1.49 -1.05 0.00 0.00 178.16 179.57 1xkx h GLU 405 N 0.89 0.78 -0.31 4.88 4.57 -1.07 0.76 114.58 125.08 1xkx h GLU 405 Ca 0.21 -0.18 0.01 0.00 -1.18 0.00 0.00 59.36 58.22 1xkx h GLU 405 Cb 0.25 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 1xkx h GLU 405 CO -0.01 0.74 0.19 0.82 -1.18 0.00 0.00 179.01 179.58 1xkx h ILE 406 N 0.68 1.06 -0.53 2.32 2.04 -0.83 -1.51 117.51 120.75 1xkx h ILE 406 Ca 0.16 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1xkx h ILE 406 Cb 0.30 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1xkx h ILE 406 CO -0.00 0.07 0.31 -1.13 0.00 0.00 0.00 178.15 177.40 1xkx h ASN 407 N 0.40 0.64 -0.18 1.72 -1.24 -0.75 0.45 115.58 116.62 1xkx h ASN 407 Ca 0.12 -0.06 0.03 0.00 0.71 0.00 0.00 56.30 57.10 1xkx h ASN 407 Cb -0.03 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 38.83 1xkx h ASN 407 CO -0.04 0.51 -0.02 -0.61 -1.29 0.00 0.00 177.43 175.99 1xkx h GLN 408 N 0.71 0.03 -0.18 6.67 4.15 -0.56 0.12 115.11 126.04 1xkx h GLN 408 Ca 0.19 -0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.48 1xkx h GLN 408 Cb -0.00 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1xkx h GLN 408 CO -0.03 0.02 -0.43 0.00 -1.93 0.00 0.00 178.83 176.46 1xkx h ARG 409 N 0.03 0.44 -0.14 1.69 3.08 -1.05 -2.46 114.38 115.96 1xkx h ARG 409 Ca 0.08 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 1xkx h ARG 409 Cb 0.11 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1xkx h ARG 409 CO -0.16 0.79 -0.02 0.35 -1.07 0.00 0.00 179.97 179.85 1xkx h PHE 410 N 0.36 0.29 0.00 3.04 3.57 -0.52 -2.82 116.94 120.86 1xkx h PHE 410 Ca 0.03 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 1xkx h PHE 410 Cb 0.90 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 1xkx h PHE 410 CO 0.03 0.53 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.38 1xkx h LEU 411 N -0.03 0.00 -1.11 0.59 3.38 -0.96 -0.73 115.31 116.45 1xkx h LEU 411 Ca 0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1xkx h LEU 411 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1xkx h LEU 411 CO 0.01 0.19 -0.10 0.78 0.09 0.00 0.00 178.44 179.41 1xkx h ASN 412 N 0.00 0.49 -0.36 -0.43 -0.26 -1.29 0.17 115.58 113.89 1xkx h ASN 412 Ca -0.00 -0.12 -0.15 0.00 -0.56 0.00 0.00 56.30 55.47 1xkx h ASN 412 Cb 0.36 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.49 1xkx h ASN 412 CO 0.02 0.63 -0.36 0.03 -1.06 0.00 0.00 177.43 176.69 1xkx h ARG 413 N 0.47 0.88 -0.37 0.81 3.08 -0.92 -2.15 114.38 116.18 1xkx h ARG 413 Ca 0.09 -0.47 -0.06 0.00 0.07 0.00 0.00 59.98 59.61 1xkx h ARG 413 Cb 0.46 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1xkx h ARG 413 CO 0.03 1.11 0.00 0.28 -1.07 0.00 0.00 179.97 180.32 1xkx h VAL 414 N 0.69 1.26 -0.55 2.04 2.07 -0.80 -2.04 116.25 118.92 1xkx h VAL 414 Ca 0.06 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 1xkx h VAL 414 Cb 0.95 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1xkx h VAL 414 CO 0.09 0.33 0.32 0.00 0.02 0.00 0.00 177.57 178.33 1xkx h ALA 415 N 0.87 1.52 -0.05 1.67 0.00 -0.64 0.95 119.26 123.59 1xkx h ALA 415 Ca 0.11 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1xkx h ALA 415 Cb 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1xkx h ALA 415 CO 0.02 0.41 -0.66 0.00 0.00 0.00 0.00 179.25 179.01 1xkx h ALA 416 N 1.59 0.79 0.07 0.00 0.00 -1.17 -2.53 119.26 118.02 1xkx h ALA 416 Ca 0.20 -0.58 -0.26 0.00 0.00 0.00 0.00 54.91 54.26 1xkx h ALA 416 Cb -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1xkx h ALA 416 CO -0.04 0.78 -1.23 0.00 0.00 0.00 0.00 179.25 178.76 1xkx h ALA 417 N 1.17 0.26 -2.09 0.00 0.00 -0.65 -3.38 119.26 114.57 1xkx h ALA 417 Ca -0.01 -0.97 -0.58 0.00 0.00 0.00 0.00 54.91 53.35 1xkx h ALA 417 Cb 1.19 0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.60 1xkx h ALA 417 CO 0.10 1.14 -0.87 1.19 0.00 0.00 0.00 179.25 180.81 1xkx n PHE 418 N -3.42 1.50 -1.63 0.00 3.72 0.26 -5.10 117.46 112.79 1xkx n PHE 418 Ca -0.07 -3.84 -0.50 0.00 -0.05 0.00 0.00 57.45 52.99 1xkx n PHE 418 Cb 1.00 -0.45 -0.05 0.00 -0.94 0.00 0.00 39.48 39.04 1xkx n PHE 418 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1xkx n PRO 419 N 1.14 1.61 -0.03 -1.08 -0.02 -0.96 -1.83 135.00 133.84 1xkx n PRO 419 Ca 0.25 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1xkx n PRO 419 Cb 0.47 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1xkx n PRO 419 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xkx n GLY 420 N 3.04 2.75 3.46 -1.23 0.00 -1.26 -4.94 105.19 107.01 1xkx n GLY 420 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1xkx n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xkx n ASP 421 N 0.00 4.83 0.17 1.61 4.64 -0.76 -4.77 116.55 122.27 1xkx n ASP 421 Ca 0.00 -2.92 0.02 0.00 -1.38 0.00 0.00 54.79 50.52 1xkx n ASP 421 Cb 0.00 -1.72 0.37 0.00 -1.04 0.00 0.00 41.12 38.73 1xkx n ASP 421 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 1xkx h VAL 422 N 5.28 1.23 -0.28 5.18 -1.51 -1.92 -2.90 116.25 121.34 1xkx h VAL 422 Ca 0.45 -1.09 -0.15 0.00 -1.23 0.00 0.00 66.70 64.68 1xkx h VAL 422 Cb 0.84 1.53 -0.01 0.00 -2.13 0.00 0.00 31.29 31.52 1xkx h VAL 422 CO 1.50 0.32 -0.44 -0.78 -1.23 0.00 0.00 177.57 176.93 1xkx h ASP 423 N 0.07 0.76 -1.01 4.19 3.58 -2.00 -2.70 116.42 119.31 1xkx h ASP 423 Ca 0.01 -0.36 0.01 0.00 0.42 0.00 0.00 57.03 57.11 1xkx h ASP 423 Cb 0.56 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.35 1xkx h ASP 423 CO 0.04 1.09 0.67 -0.09 -2.88 0.00 0.00 179.24 178.07 1xkx h ARG 424 N 0.57 1.32 -0.22 0.28 2.43 -1.92 -0.25 114.38 116.59 1xkx h ARG 424 Ca 0.04 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1xkx h ARG 424 Cb 0.99 -0.30 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 1xkx h ARG 424 CO 0.09 0.88 0.02 -0.07 -1.51 0.00 0.00 179.97 179.38 1xkx h LEU 425 N 1.36 -0.03 -1.05 3.80 3.38 -1.33 0.64 115.31 122.09 1xkx h LEU 425 Ca 0.37 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.29 1xkx h LEU 425 Cb -0.15 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1xkx h LEU 425 CO -0.08 0.01 -0.45 0.08 0.09 0.00 0.00 178.44 178.09 1xkx h ARG 426 N 0.10 0.00 -0.07 1.13 -0.00 -1.18 -1.74 114.38 112.62 1xkx h ARG 426 Ca 0.10 0.00 -0.20 0.00 -0.00 0.00 0.00 59.98 59.88 1xkx h ARG 426 Cb 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.08 1xkx h ARG 426 CO -0.15 0.45 -0.78 0.00 -0.00 0.00 0.00 179.97 179.50 1xkx h ARG 427 N 0.00 0.44 0.00 0.08 3.08 -0.44 -3.28 114.38 114.27 1xkx h ARG 427 Ca -0.00 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1xkx h ARG 427 Cb 0.85 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1xkx h ARG 427 CO 0.06 1.02 -0.60 -1.33 -1.07 0.00 0.00 179.97 178.05 1xkx n MET 428 N -3.83 0.16 -1.59 0.04 2.81 0.16 -4.96 117.12 109.92 1xkx n MET 428 Ca -0.05 0.04 -0.40 0.00 -1.81 0.00 0.00 57.70 55.48 1xkx n MET 428 Cb 0.74 -1.59 0.03 0.00 -0.71 0.00 0.00 33.22 31.68 1xkx n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1xkx n SER 429 N -1.81 0.75 0.22 7.83 2.88 -0.66 -4.86 113.62 117.97 1xkx n SER 429 Ca 0.04 0.92 0.12 0.00 -1.33 0.00 0.00 58.87 58.63 1xkx n SER 429 Cb 0.39 -1.33 0.23 0.00 -0.75 0.00 0.00 64.21 62.74 1xkx n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1xkx h LEU 430 N 1.03 0.00 -8.87 2.46 3.38 -1.91 -3.43 115.31 107.97 1xkx h LEU 430 Ca -0.46 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 56.87 1xkx h LEU 430 Cb 1.36 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.93 1xkx h LEU 430 CO 0.53 0.00 -0.54 -0.69 0.09 0.00 0.00 178.44 177.83 1xkx s VAL 431 N -3.24 5.06 -0.20 1.22 1.01 -1.26 -0.15 120.40 122.84 1xkx s VAL 431 Ca 0.07 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 1xkx s VAL 431 Cb 0.06 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 1xkx s VAL 431 CO 0.65 0.29 0.22 -1.61 0.00 0.00 0.00 175.10 174.65 1xkx s GLU 432 N 1.60 4.18 0.47 2.72 2.02 0.42 -4.96 118.70 125.14 1xkx s GLU 432 Ca 0.07 -0.08 -0.01 0.00 0.02 0.00 0.00 54.97 54.96 1xkx s GLU 432 Cb -0.15 -3.47 -0.01 0.00 0.10 0.00 0.00 34.13 30.60 1xkx s GLU 432 CO 0.08 0.17 0.71 -2.00 0.02 0.00 0.00 175.26 174.24 1xkx s GLU 433 N 0.71 3.14 0.00 1.61 2.56 -1.26 -1.75 118.70 123.71 1xkx s GLU 433 Ca 0.12 -0.31 0.00 0.00 0.00 0.00 0.00 54.97 54.78 1xkx s GLU 433 Cb -0.13 -2.50 0.00 0.00 2.00 0.00 0.00 34.13 33.50 1xkx s GLU 433 CO 0.03 -0.29 0.00 0.41 -0.56 0.00 0.00 175.26 174.84 1xkx n GLY 434 N -2.16 0.64 0.06 -1.50 0.00 -1.26 -4.92 105.19 96.05 1xkx n GLY 434 Ca 0.01 -1.61 -0.02 0.00 0.00 0.00 0.00 46.02 44.41 1xkx n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkx n ALA 435 N -0.84 -0.09 -2.72 4.61 0.00 -1.26 -4.26 120.51 115.95 1xkx n ALA 435 Ca 0.00 0.12 -0.27 0.00 0.00 0.00 0.00 53.44 53.29 1xkx n ALA 435 Cb 0.00 0.34 -0.16 0.00 0.00 0.00 0.00 19.45 19.63 1xkx n ALA 435 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1xkx s VAL 436 N -3.41 1.62 0.32 0.00 -7.23 -1.26 -5.11 120.40 105.33 1xkx s VAL 436 Ca -0.02 -0.84 -0.29 0.00 -1.81 0.00 0.00 61.98 59.03 1xkx s VAL 436 Cb 0.02 -1.37 -0.10 0.00 0.56 0.00 0.00 36.38 35.48 1xkx s VAL 436 CO 0.09 0.46 1.25 -0.54 -0.31 0.00 0.00 175.10 176.05 1xkx s LYS 437 N -0.17 4.41 0.15 4.82 1.02 -1.26 -4.85 119.74 123.86 1xkx s LYS 437 Ca -0.00 2.10 0.04 0.00 0.02 0.00 0.00 55.97 58.13 1xkx s LYS 437 Cb -0.11 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.08 1xkx s LYS 437 CO 0.02 -0.10 -0.08 1.03 -0.92 0.00 0.00 175.35 175.30 1xkx s ARG 438 N -1.73 1.05 -0.20 1.68 0.52 -0.72 -0.72 118.95 118.83 1xkx s ARG 438 Ca 0.48 -1.46 -0.06 0.00 -0.52 0.00 0.00 55.73 54.17 1xkx s ARG 438 Cb -0.38 -0.53 -0.03 0.00 0.52 0.00 0.00 34.95 34.53 1xkx s ARG 438 CO 0.50 0.03 0.03 0.42 0.02 0.00 0.00 175.30 176.30 1xkx s ILE 439 N -3.40 4.22 -0.58 1.52 -1.09 0.74 -0.44 121.20 122.17 1xkx s ILE 439 Ca 0.17 -0.22 -0.25 0.00 -2.23 0.00 0.00 60.65 58.12 1xkx s ILE 439 Cb 0.03 -2.92 0.04 0.00 -1.58 0.00 0.00 42.46 38.04 1xkx s ILE 439 CO 0.01 0.42 1.04 0.21 -1.23 0.00 0.00 174.94 175.38 1xkx s ASN 440 N 0.97 6.34 0.44 3.58 3.84 0.78 -1.99 114.94 128.90 1xkx s ASN 440 Ca 0.02 -0.30 0.15 0.00 0.21 0.00 0.00 52.86 52.95 1xkx s ASN 440 Cb -0.14 -2.48 1.01 0.00 -0.55 0.00 0.00 41.25 39.09 1xkx s ASN 440 CO 0.02 -1.37 1.98 0.24 -2.79 0.00 0.00 177.10 175.18 1xkx h MET 441 N 9.46 0.00 -0.55 0.43 2.86 -1.73 -2.41 114.93 123.00 1xkx h MET 441 Ca -0.26 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.27 1xkx h MET 441 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 1xkx h MET 441 CO 1.14 0.20 -0.07 0.00 1.06 0.00 0.00 176.91 179.25 1xkx h ALA 442 N 1.80 0.84 -0.50 6.32 0.00 -1.91 -0.85 119.26 124.97 1xkx h ALA 442 Ca -0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1xkx h ALA 442 Cb 0.37 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1xkx h ALA 442 CO 0.03 0.66 -0.05 0.45 0.00 0.00 0.00 179.25 180.34 1xkx h HIS 443 N 0.90 0.95 -0.44 0.00 3.86 -1.82 -1.41 115.15 117.19 1xkx h HIS 443 Ca 0.15 -0.16 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1xkx h HIS 443 Cb 0.61 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 1xkx h HIS 443 CO 0.04 0.89 0.27 1.25 0.86 0.00 0.00 177.93 181.24 1xkx h LEU 444 N 0.80 0.52 -0.80 2.43 6.46 -1.05 -1.92 115.31 121.76 1xkx h LEU 444 Ca 0.14 -0.05 -0.06 0.00 -0.12 0.00 0.00 57.88 57.80 1xkx h LEU 444 Cb 0.55 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 1xkx h LEU 444 CO 0.03 0.41 0.23 0.00 -0.62 0.00 0.00 178.44 178.49 1xkx h ILE 446 N 1.09 1.26 -0.80 0.00 2.04 -1.08 -2.29 117.51 117.74 1xkx h ILE 446 Ca 0.24 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 65.07 1xkx h ILE 446 Cb 0.30 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 1xkx h ILE 446 CO -0.01 0.32 0.34 0.00 0.00 0.00 0.00 178.15 178.80 1xkx h ALA 447 N 0.83 1.03 -0.51 1.87 0.00 -1.22 -3.11 119.26 118.15 1xkx h ALA 447 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xkx h ALA 447 Cb 0.47 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1xkx h ALA 447 CO 0.02 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.32 1xkx n GLY 448 N -0.92 2.11 3.29 0.00 0.00 -0.60 -4.93 105.19 104.15 1xkx n GLY 448 Ca 0.07 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 1xkx n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xkx s SER 449 N -0.81 2.62 0.00 1.61 0.01 -0.87 -3.95 113.70 112.31 1xkx s SER 449 Ca 0.40 -0.67 0.26 0.00 1.31 0.00 0.00 55.95 57.25 1xkx s SER 449 Cb 0.25 -0.16 0.61 0.00 0.21 0.00 0.00 66.02 66.93 1xkx s SER 449 CO 0.20 0.09 1.48 0.00 0.41 0.00 0.00 173.24 175.42 1xkx n HIS 450 N 1.19 0.00 -3.78 2.43 1.44 -0.63 -4.85 115.22 111.02 1xkx n HIS 450 Ca -0.19 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.39 1xkx n HIS 450 Cb 0.53 -0.25 -0.11 0.00 0.12 0.00 0.00 29.99 30.28 1xkx n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1xkx s ALA 451 N -2.91 -0.69 -0.06 1.59 0.00 -1.26 -4.53 121.76 113.89 1xkx s ALA 451 Ca 0.14 0.80 -0.00 0.00 0.00 0.00 0.00 51.96 52.89 1xkx s ALA 451 Cb 0.18 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.86 1xkx s ALA 451 CO 0.66 -0.13 -0.03 0.08 0.00 0.00 0.00 175.76 176.33 1xkx s VAL 452 N 0.19 0.55 0.08 0.00 1.01 0.39 -0.88 120.40 121.74 1xkx s VAL 452 Ca -0.00 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 61.97 1xkx s VAL 452 Cb -0.02 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 1xkx s VAL 452 CO 0.00 0.26 -0.11 0.54 0.00 0.00 0.00 175.10 175.79 1xkx s ASN 453 N 1.45 1.46 0.57 3.32 4.22 -0.56 -0.55 114.94 124.84 1xkx s ASN 453 Ca -0.02 -0.70 0.04 0.00 -2.14 0.00 0.00 52.86 50.04 1xkx s ASN 453 Cb -0.13 -0.01 0.06 0.00 1.28 0.00 0.00 41.25 42.45 1xkx s ASN 453 CO -0.03 -0.18 0.79 -0.83 -2.04 0.00 0.00 177.10 174.81 1xkx s GLY 454 N -2.04 1.82 -0.07 0.45 0.00 -0.95 -1.46 107.32 105.07 1xkx s GLY 454 Ca 0.00 -1.68 0.13 0.00 0.00 0.00 0.00 44.72 43.17 1xkx s GLY 454 CO 0.01 -1.31 1.33 3.33 0.00 0.00 0.00 173.10 176.46 1xkx n VAL 455 N -2.34 1.48 -3.59 1.40 0.24 -1.26 -2.20 118.33 112.07 1xkx n VAL 455 Ca 0.11 -1.31 -0.11 0.00 -2.04 0.00 0.00 64.34 60.99 1xkx n VAL 455 Cb 0.60 0.22 -0.06 0.00 -1.47 0.00 0.00 33.84 33.14 1xkx n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xkx s ALA 456 N -1.66 -1.92 0.19 2.33 0.00 -1.26 -1.18 121.76 118.26 1xkx s ALA 456 Ca 0.31 1.64 -0.15 0.00 0.00 0.00 0.00 51.96 53.76 1xkx s ALA 456 Cb 0.21 -0.81 0.18 0.00 0.00 0.00 0.00 23.12 22.70 1xkx s ALA 456 CO 0.14 -0.30 1.65 -0.09 0.00 0.00 0.00 175.76 177.16 1xkx h ARG 457 N 3.10 0.02 -0.37 0.00 2.43 -1.90 0.83 114.38 118.48 1xkx h ARG 457 Ca -0.22 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.88 1xkx h ARG 457 Cb 1.16 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 1xkx h ARG 457 CO 0.26 0.01 -0.05 0.97 -1.51 0.00 0.00 179.97 179.65 1xkx h ILE 458 N 0.02 1.23 -0.23 1.20 2.10 -1.91 -1.61 117.51 118.31 1xkx h ILE 458 Ca 0.26 -0.97 -0.07 0.00 1.08 0.00 0.00 64.86 65.16 1xkx h ILE 458 Cb 0.40 1.00 -0.01 0.00 -1.09 0.00 0.00 36.82 37.13 1xkx h ILE 458 CO -0.52 0.33 -0.12 -0.74 -1.08 0.00 0.00 178.15 176.02 1xkx h HIS 459 N 0.58 0.55 -0.32 2.19 2.76 -1.49 -0.82 115.15 118.59 1xkx h HIS 459 Ca 0.11 -0.14 -0.04 0.00 -2.20 0.00 0.00 60.37 58.10 1xkx h HIS 459 Cb 0.45 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 1xkx h HIS 459 CO 0.02 0.76 0.03 0.77 -1.30 0.00 0.00 177.93 178.20 1xkx h SER 460 N 0.19 0.44 -0.27 3.26 0.02 -0.67 -0.77 113.55 115.74 1xkx h SER 460 Ca 0.05 -0.07 -0.16 0.00 -0.84 0.00 0.00 61.79 60.77 1xkx h SER 460 Cb 0.62 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 1xkx h SER 460 CO 0.03 0.48 -0.46 -0.33 -1.14 0.00 0.00 176.83 175.42 1xkx h GLU 461 N 0.46 0.78 -0.70 3.45 4.39 -1.14 -2.87 114.58 118.95 1xkx h GLU 461 Ca 0.10 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1xkx h GLU 461 Cb 0.26 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1xkx h GLU 461 CO 0.00 1.11 0.45 0.82 -1.16 0.00 0.00 179.01 180.24 1xkx h ILE 462 N 0.53 1.18 -0.40 3.13 2.04 -0.52 -0.79 117.51 122.68 1xkx h ILE 462 Ca 0.02 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 1xkx h ILE 462 Cb 1.06 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1xkx h ILE 462 CO 0.10 0.18 0.24 -0.07 0.00 0.00 0.00 178.15 178.60 1xkx h LEU 463 N 0.95 0.49 -0.90 1.44 3.38 -1.02 0.44 115.31 120.10 1xkx h LEU 463 Ca 0.25 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 1xkx h LEU 463 Cb -0.10 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1xkx h LEU 463 CO -0.05 0.41 -0.53 0.11 0.09 0.00 0.00 178.44 178.47 1xkx h LYS 464 N 0.53 0.05 0.00 1.13 1.57 -1.20 0.52 116.57 119.18 1xkx h LYS 464 Ca 0.14 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.79 1xkx h LYS 464 Cb 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1xkx h LYS 464 CO -0.03 0.57 -1.09 0.87 -0.57 0.00 0.00 179.45 179.20 1xkx h LYS 465 N 0.04 0.00 0.00 3.15 1.57 -0.95 -3.28 116.57 117.10 1xkx h LYS 465 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xkx h LYS 465 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1xkx h LYS 465 CO 0.07 0.22 0.00 0.25 -0.57 0.00 0.00 179.45 179.42 1xkx n THR 466 N -2.89 0.00 -0.32 -0.16 -2.24 0.13 -4.74 114.28 104.07 1xkx n THR 466 Ca -0.05 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.87 1xkx n THR 466 Cb 0.73 0.00 0.29 0.00 -2.10 0.00 0.00 70.33 69.24 1xkx n THR 466 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1xkx h ILE 467 N 0.00 0.14 -0.25 2.28 1.08 -1.70 -2.00 117.51 117.07 1xkx h ILE 467 Ca 0.00 -0.03 -0.02 0.00 -0.39 0.00 0.00 64.86 64.43 1xkx h ILE 467 Cb 0.00 0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 33.80 1xkx h ILE 467 CO 0.00 0.01 -0.00 0.49 -0.69 0.00 0.00 178.15 177.96 1xkx n PHE 468 N -5.39 0.88 -0.18 1.37 0.99 0.17 -4.76 117.46 110.55 1xkx n PHE 468 Ca 0.22 -0.95 -0.01 0.00 -0.00 0.00 0.00 57.45 56.71 1xkx n PHE 468 Cb 0.73 -0.32 0.07 0.00 -1.00 0.00 0.00 39.48 38.97 1xkx n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1xkx h LYS 469 N 1.57 0.11 -0.96 -1.08 3.64 -1.31 0.29 116.57 118.83 1xkx h LYS 469 Ca 0.02 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1xkx h LYS 469 Cb 1.43 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.17 1xkx h LYS 469 CO 0.22 0.07 0.63 -0.44 -2.27 0.00 0.00 179.45 177.66 1xkx h ASP 470 N 0.11 1.06 -0.30 4.20 3.32 -1.86 -1.00 116.42 121.96 1xkx h ASP 470 Ca 0.28 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.16 1xkx h ASP 470 Cb 0.43 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1xkx h ASP 470 CO -0.46 0.74 -0.40 -0.26 -1.72 0.00 0.00 179.24 177.13 1xkx h PHE 471 N 1.24 1.02 -0.70 4.55 0.04 -1.68 -2.34 116.94 119.06 1xkx h PHE 471 Ca 0.37 -0.31 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 1xkx h PHE 471 Cb -0.04 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 37.86 1xkx h PHE 471 CO -0.01 1.11 0.27 -0.92 -0.60 0.00 0.00 178.31 178.17 1xkx h TYR 472 N 0.69 1.05 -0.24 -0.55 3.20 -0.45 0.06 116.97 120.74 1xkx h TYR 472 Ca 0.05 -0.07 -0.10 0.00 3.14 0.00 0.00 58.73 61.75 1xkx h TYR 472 Cb 0.98 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1xkx h TYR 472 CO 0.06 0.80 -0.29 0.93 -1.64 0.00 0.00 178.16 178.03 1xkx h GLU 473 N 1.02 0.47 -0.04 1.82 5.08 -1.01 -1.15 114.58 120.77 1xkx h GLU 473 Ca 0.24 -0.19 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 1xkx h GLU 473 Cb 0.20 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.44 1xkx h GLU 473 CO -0.02 0.72 -0.62 1.25 -1.00 0.00 0.00 179.01 179.34 1xkx h LEU 474 N 0.41 0.60 -6.23 1.33 5.85 -0.97 -3.41 115.31 112.90 1xkx h LEU 474 Ca 0.06 -0.72 -0.58 0.00 0.84 0.00 0.00 57.88 57.48 1xkx h LEU 474 Cb 0.72 -0.18 -0.39 0.00 0.37 0.00 0.00 40.66 41.17 1xkx h LEU 474 CO 0.05 1.24 -0.99 -0.62 -0.34 0.00 0.00 178.44 177.78 1xkx n GLU 475 N -4.18 0.65 -0.12 1.25 1.02 -0.03 -4.98 120.64 114.25 1xkx n GLU 475 Ca -0.10 -3.36 0.12 0.00 -0.02 0.00 0.00 57.16 53.81 1xkx n GLU 475 Cb 0.67 -1.53 0.48 0.00 -0.02 0.00 0.00 31.44 31.04 1xkx n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1xkx h PRO 476 N 4.79 0.44 0.00 3.49 0.13 -1.42 -2.57 132.00 136.86 1xkx h PRO 476 Ca 0.17 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 1xkx h PRO 476 Cb 0.87 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 1xkx h PRO 476 CO 0.46 0.29 -0.04 1.12 -0.23 0.00 0.00 178.00 179.60 1xkx h HIS 477 N 0.45 0.00 0.00 1.56 2.07 -1.94 -2.88 115.15 114.42 1xkx h HIS 477 Ca 0.31 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.74 1xkx h HIS 477 Cb 0.59 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.56 1xkx h HIS 477 CO -0.00 0.04 -0.42 0.87 -3.07 0.00 0.00 177.93 175.35 1xkx h LYS 478 N 0.00 0.00 -6.19 5.12 1.57 -1.69 -3.45 116.57 111.93 1xkx h LYS 478 Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1xkx h LYS 478 Cb 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 1xkx h LYS 478 CO 0.01 0.42 0.40 -0.06 -0.57 0.00 0.00 179.45 179.66 1xkx s PHE 479 N -4.04 3.54 0.28 -1.35 0.08 -1.09 -0.46 117.98 114.94 1xkx s PHE 479 Ca -0.02 1.49 0.03 0.00 0.12 0.00 0.00 56.93 58.55 1xkx s PHE 479 Cb 0.14 -3.07 -0.04 0.00 -0.57 0.00 0.00 43.02 39.48 1xkx s PHE 479 CO 0.73 -0.13 0.20 -0.65 -0.10 0.00 0.00 175.22 175.27 1xkx s GLN 480 N 1.61 1.53 0.01 0.44 -0.21 0.28 -4.96 119.66 118.35 1xkx s GLN 480 Ca 0.45 -1.86 0.05 0.00 0.02 0.00 0.00 55.36 54.02 1xkx s GLN 480 Cb -0.18 0.20 -0.02 0.00 1.00 0.00 0.00 33.01 34.01 1xkx s GLN 480 CO 0.19 -0.51 -0.15 1.21 -2.12 0.00 0.00 175.29 173.91 1xkx s ASN 481 N -3.30 1.79 -0.35 5.90 3.84 -1.26 -2.23 114.94 119.33 1xkx s ASN 481 Ca 0.39 -0.34 0.01 0.00 0.21 0.00 0.00 52.86 53.13 1xkx s ASN 481 Cb 0.05 -0.17 0.14 0.00 -0.55 0.00 0.00 41.25 40.72 1xkx s ASN 481 CO 0.20 0.14 0.27 -0.54 -2.79 0.00 0.00 177.10 174.38 1xkx s LYS 482 N -0.62 0.54 0.31 0.43 -0.14 -0.93 -4.92 119.74 114.40 1xkx s LYS 482 Ca 0.05 -1.02 -0.29 0.00 -1.36 0.00 0.00 55.97 53.35 1xkx s LYS 482 Cb -0.07 -1.03 -0.11 0.00 -1.68 0.00 0.00 37.83 34.95 1xkx s LYS 482 CO 0.00 -1.18 1.53 0.99 -0.76 0.00 0.00 175.35 175.93 1xkx s THR 483 N 1.36 2.17 1.16 2.17 2.01 -1.26 -4.23 115.64 119.03 1xkx s THR 483 Ca 0.16 0.15 -0.13 0.00 0.31 0.00 0.00 61.69 62.19 1xkx s THR 483 Cb -0.19 -3.10 0.28 0.00 0.01 0.00 0.00 72.50 69.50 1xkx s THR 483 CO -0.06 0.03 1.03 0.20 -0.69 0.00 0.00 174.62 175.13 1xkx s ASN 484 N 0.27 1.04 0.33 3.53 0.02 -0.33 -4.65 114.94 115.15 1xkx s ASN 484 Ca 0.59 1.49 -0.15 0.00 -1.02 0.00 0.00 52.86 53.77 1xkx s ASN 484 Cb -0.46 -2.26 0.03 0.00 0.02 0.00 0.00 41.25 38.57 1xkx s ASN 484 CO 0.51 -4.16 0.69 -0.83 0.02 0.00 0.00 177.10 173.33 1xkx s GLY 485 N -2.59 0.39 0.09 0.66 0.00 -1.26 -4.80 107.32 99.82 1xkx s GLY 485 Ca 0.68 -0.73 0.04 0.00 0.00 0.00 0.00 44.72 44.71 1xkx s GLY 485 CO 0.64 -0.37 -0.11 -0.26 0.00 0.00 0.00 173.10 173.00 1xkx s ILE 486 N -3.14 0.99 -0.07 0.90 -4.36 0.05 -4.48 121.20 111.10 1xkx s ILE 486 Ca 0.17 -1.54 -0.30 0.00 -0.26 0.00 0.00 60.65 58.72 1xkx s ILE 486 Cb -0.04 -1.27 -0.02 0.00 1.25 0.00 0.00 42.46 42.38 1xkx s ILE 486 CO 0.11 -0.47 1.02 0.28 0.24 0.00 0.00 174.94 176.12 1xkx s THR 487 N -2.10 4.76 -1.10 8.37 -1.32 -1.26 -0.83 115.64 122.16 1xkx s THR 487 Ca 0.03 2.01 0.17 0.00 -1.21 0.00 0.00 61.69 62.69 1xkx s THR 487 Cb -0.05 -4.29 0.18 0.00 -1.51 0.00 0.00 72.50 66.83 1xkx s THR 487 CO 0.01 0.05 1.53 -0.81 -2.21 0.00 0.00 174.62 173.19 1xkx n PRO 488 N 4.67 0.06 0.11 7.08 -0.04 -1.26 -1.77 135.00 143.84 1xkx n PRO 488 Ca 0.08 0.19 -0.05 0.00 -0.04 0.00 0.00 63.50 63.68 1xkx n PRO 488 Cb 0.49 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 1xkx n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xkx h ARG 489 N 0.00 -0.33 -0.51 0.54 -0.00 -1.91 -2.54 114.38 109.63 1xkx h ARG 489 Ca 0.00 0.02 -0.12 0.00 -0.50 0.00 0.00 59.98 59.39 1xkx h ARG 489 Cb 0.26 0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.29 1xkx h ARG 489 CO 0.00 -0.22 -0.14 -0.09 0.00 0.00 0.00 179.97 179.53 1xkx h ARG 490 N -0.79 0.99 -0.37 0.04 2.43 -1.96 0.11 114.38 114.82 1xkx h ARG 490 Ca -0.03 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1xkx h ARG 490 Cb 0.26 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1xkx h ARG 490 CO 0.06 1.06 0.00 0.91 -1.51 0.00 0.00 179.97 180.49 1xkx n TRP 491 N -4.16 0.43 0.00 2.20 7.02 -0.73 -2.80 117.44 119.40 1xkx n TRP 491 Ca 0.01 -0.20 0.00 0.00 -1.02 0.00 0.00 57.50 56.29 1xkx n TRP 491 Cb 0.41 -0.04 0.00 0.00 -2.42 0.00 0.00 31.31 29.26 1xkx n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 1xkx n LEU 492 N 0.28 0.00 -0.09 -0.99 7.94 -1.03 -4.76 117.00 118.35 1xkx n LEU 492 Ca 0.09 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.93 1xkx n LEU 492 Cb 0.29 0.17 0.01 0.00 0.53 0.00 0.00 43.42 44.42 1xkx n LEU 492 CO 0.07 -0.44 0.89 0.58 -1.11 0.00 0.00 177.39 177.38 1xkx h VAL 493 N 0.00 0.83 0.05 1.96 2.07 -1.17 0.30 116.25 120.29 1xkx h VAL 493 Ca 0.00 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1xkx h VAL 493 Cb 0.00 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1xkx h VAL 493 CO 0.00 0.03 -0.03 0.25 0.02 0.00 0.00 177.57 177.84 1xkx h LEU 494 N 0.16 -0.06 0.00 2.57 6.46 -0.93 -3.16 115.31 120.35 1xkx h LEU 494 Ca 0.15 -0.46 0.00 0.00 -0.12 0.00 0.00 57.88 57.46 1xkx h LEU 494 Cb 0.18 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1xkx h LEU 494 CO -0.21 0.44 -0.60 0.00 -0.62 0.00 0.00 178.44 177.45 1xkx n ASN 496 N -2.38 1.06 -0.25 0.00 2.85 0.10 -4.85 115.26 111.80 1xkx n ASN 496 Ca 0.03 -3.00 0.05 0.00 -0.11 0.00 0.00 54.58 51.55 1xkx n ASN 496 Cb 0.48 -0.62 0.29 0.00 1.24 0.00 0.00 39.78 41.17 1xkx n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1xkx h PRO 497 N 3.27 0.88 -0.81 1.20 0.13 -1.62 -1.83 132.00 133.21 1xkx h PRO 497 Ca 0.10 -0.05 0.07 0.00 -0.87 0.00 0.00 66.00 65.25 1xkx h PRO 497 Cb 0.90 -0.20 -0.06 0.00 0.13 0.00 0.00 31.00 31.77 1xkx h PRO 497 CO 0.53 0.58 0.48 0.78 -0.23 0.00 0.00 178.00 180.14 1xkx h GLY 498 N 0.90 1.23 1.11 1.56 0.00 -1.91 0.10 103.07 106.07 1xkx h GLY 498 Ca 0.35 -0.34 -0.21 0.00 0.00 0.00 0.00 47.33 47.13 1xkx h GLY 498 CO -0.12 0.19 -0.76 -2.00 0.00 0.00 0.00 176.54 173.85 1xkx h LEU 499 N 0.85 0.88 -1.48 3.11 5.85 -1.77 -2.79 115.31 119.96 1xkx h LEU 499 Ca 0.37 -0.65 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1xkx h LEU 499 Cb 0.25 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1xkx h LEU 499 CO -0.20 1.39 0.31 0.00 -0.34 0.00 0.00 178.44 179.60 1xkx h ALA 500 N 0.51 1.61 0.19 1.25 0.00 -0.84 -2.28 119.26 119.69 1xkx h ALA 500 Ca -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1xkx h ALA 500 Cb 1.40 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xkx h ALA 500 CO 0.16 0.35 -0.09 1.49 0.00 0.00 0.00 179.25 181.15 1xkx h GLU 501 N 0.68 -0.24 0.00 0.00 4.57 -0.73 -1.11 114.58 117.75 1xkx h GLU 501 Ca 0.18 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.36 1xkx h GLU 501 Cb -0.05 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1xkx h GLU 501 CO -0.04 0.14 -0.07 -0.84 -1.18 0.00 0.00 179.01 177.02 1xkx h ILE 502 N -0.69 0.80 -0.03 2.32 3.07 -1.40 0.40 117.51 121.97 1xkx h ILE 502 Ca -0.03 -0.27 -0.12 0.00 1.55 0.00 0.00 64.86 65.99 1xkx h ILE 502 Cb 0.49 1.16 0.01 0.00 -0.27 0.00 0.00 36.82 38.20 1xkx h ILE 502 CO 0.04 0.07 -0.46 0.40 -1.05 0.00 0.00 178.15 177.16 1xkx h ILE 503 N 0.00 1.44 -0.29 0.16 2.04 -1.37 -3.21 117.51 116.28 1xkx h ILE 503 Ca -0.00 -1.93 -0.02 0.00 1.00 0.00 0.00 64.86 63.91 1xkx h ILE 503 Cb 0.15 2.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 1xkx h ILE 503 CO 0.01 0.56 0.07 0.00 0.00 0.00 0.00 178.15 178.79 1xkx h ALA 504 N 0.36 1.59 -0.68 1.87 0.00 -0.36 -1.00 119.26 121.04 1xkx h ALA 504 Ca -0.05 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.81 1xkx h ALA 504 Cb 1.15 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1xkx h ALA 504 CO 0.09 0.31 0.45 0.93 0.00 0.00 0.00 179.25 181.03 1xkx h GLU 505 N 0.41 0.66 0.09 0.00 5.08 -0.95 0.26 114.58 120.13 1xkx h GLU 505 Ca 0.10 -0.04 -0.37 0.00 -1.00 0.00 0.00 59.36 58.05 1xkx h GLU 505 Cb 0.16 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1xkx h GLU 505 CO -0.00 0.44 -2.11 0.54 -1.00 0.00 0.00 179.01 176.87 1xkx n ARG 506 N -4.48 0.73 -0.01 2.33 5.12 -0.76 -4.66 116.66 114.93 1xkx n ARG 506 Ca 0.10 0.23 0.01 0.00 -1.93 0.00 0.00 57.85 56.26 1xkx n ARG 506 Cb 0.24 -1.66 0.01 0.00 -1.16 0.00 0.00 32.46 29.89 1xkx n ARG 506 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1xkx n ILE 507 N -3.42 0.54 -1.31 0.55 -5.35 -0.45 -5.13 119.36 104.80 1xkx n ILE 507 Ca -0.35 -0.77 0.00 0.00 -0.27 0.00 0.00 62.75 61.36 1xkx n ILE 507 Cb 1.03 0.74 0.00 0.00 -1.74 0.00 0.00 39.64 39.67 1xkx n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xkx n GLY 508 N -0.19 -2.32 0.35 3.28 0.00 0.89 -4.65 105.19 102.54 1xkx n GLY 508 Ca 0.01 -1.79 0.09 0.00 0.00 0.00 0.00 46.02 44.32 1xkx n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xkx n GLU 509 N -0.13 1.46 0.14 1.61 1.02 -1.26 -4.04 120.64 119.43 1xkx n GLU 509 Ca 0.00 -0.74 0.18 0.00 -0.02 0.00 0.00 57.16 56.58 1xkx n GLU 509 Cb 0.00 -1.35 0.77 0.00 -0.02 0.00 0.00 31.44 30.84 1xkx n GLU 509 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1xkx h GLU 510 N 1.70 0.00 0.00 3.49 4.39 -1.96 -2.28 114.58 119.92 1xkx h GLU 510 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1xkx h GLU 510 Cb 0.59 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1xkx h GLU 510 CO 0.00 0.00 -0.10 0.10 -1.16 0.00 0.00 179.01 177.85 1xkx h TYR 511 N 0.00 0.00 -0.19 4.33 -0.00 -1.80 -2.83 116.97 116.48 1xkx h TYR 511 Ca 0.14 0.00 0.05 0.00 -0.00 0.00 0.00 58.73 58.93 1xkx h TYR 511 Cb 0.69 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.42 1xkx h TYR 511 CO 0.00 0.10 0.16 0.82 -0.00 0.00 0.00 178.16 179.24 1xkx h ILE 512 N 0.00 0.69 0.00 -0.90 2.04 -1.76 -0.61 117.51 116.97 1xkx h ILE 512 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1xkx h ILE 512 Cb 0.33 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1xkx h ILE 512 CO 0.01 0.00 -0.04 -1.54 0.00 0.00 0.00 178.15 176.58 1xkx n SER 513 N -4.15 2.06 -2.78 1.72 3.41 -1.10 -4.66 113.62 108.11 1xkx n SER 513 Ca 0.02 -2.80 -0.09 0.00 -0.26 0.00 0.00 58.87 55.73 1xkx n SER 513 Cb 0.29 -0.34 0.05 0.00 -0.26 0.00 0.00 64.21 63.95 1xkx n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1xkx n ASP 514 N -1.15 -2.52 0.25 4.04 4.64 -0.36 -5.03 116.55 116.42 1xkx n ASP 514 Ca 0.12 -3.35 0.18 0.00 -1.38 0.00 0.00 54.79 50.36 1xkx n ASP 514 Cb 0.58 1.65 0.84 0.00 -1.04 0.00 0.00 41.12 43.16 1xkx n ASP 514 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 1xkx h LEU 515 N 3.77 0.00 -2.54 -2.67 3.38 -1.51 -1.59 115.31 114.15 1xkx h LEU 515 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1xkx h LEU 515 Cb 1.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1xkx h LEU 515 CO 0.30 0.00 0.02 0.44 0.09 0.00 0.00 178.44 179.29 1xkx h ASP 516 N 0.00 0.00 0.25 -0.43 3.32 -1.85 -1.32 116.42 116.39 1xkx h ASP 516 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1xkx h ASP 516 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1xkx h ASP 516 CO -0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1xkx n GLN 517 N -3.70 0.09 0.24 3.56 6.02 -0.60 -2.10 117.38 120.89 1xkx n GLN 517 Ca -0.03 0.49 0.16 0.00 -0.01 0.00 0.00 57.00 57.61 1xkx n GLN 517 Cb 0.10 -1.74 0.79 0.00 1.02 0.00 0.00 30.24 30.42 1xkx n GLN 517 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1xkx h LEU 518 N 0.00 0.00 -2.29 1.08 3.38 -1.47 -1.71 115.31 114.31 1xkx h LEU 518 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1xkx h LEU 518 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1xkx h LEU 518 CO 0.00 0.00 -0.05 0.03 0.09 0.00 0.00 178.44 178.51 1xkx h ARG 519 N 0.00 0.00 0.00 1.13 3.08 -0.85 -0.78 114.38 116.96 1xkx h ARG 519 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xkx h ARG 519 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1xkx h ARG 519 CO 0.00 0.05 -0.01 0.87 -1.07 0.00 0.00 179.97 179.80 1xkx h LYS 520 N 0.00 0.00 0.00 0.04 1.57 -1.56 -0.96 116.57 115.67 1xkx h LYS 520 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xkx h LYS 520 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1xkx h LYS 520 CO 0.01 0.01 0.00 1.28 -0.57 0.00 0.00 179.45 180.18 1xkx n LEU 521 N -3.38 0.54 0.09 2.94 4.77 -0.30 -2.56 117.00 119.12 1xkx n LEU 521 Ca -0.03 0.65 0.05 0.00 -0.03 0.00 0.00 56.01 56.65 1xkx n LEU 521 Cb 0.10 -0.59 0.47 0.00 -2.33 0.00 0.00 43.42 41.07 1xkx n LEU 521 CO 0.24 -0.56 1.08 -0.07 -1.33 0.00 0.00 177.39 176.74 1xkx h LEU 522 N 0.00 0.30 0.00 2.23 4.07 -1.35 -0.91 115.31 119.65 1xkx h LEU 522 Ca 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1xkx h LEU 522 Cb 0.29 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.96 1xkx h LEU 522 CO 0.00 0.27 0.00 -1.54 -1.08 0.00 0.00 178.44 176.09 1xkx n SER 523 N -4.45 0.00 -0.11 -0.43 3.41 -1.06 -2.35 113.62 108.64 1xkx n SER 523 Ca 0.01 -1.17 0.01 0.00 -0.26 0.00 0.00 58.87 57.46 1xkx n SER 523 Cb 0.11 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.08 1xkx n SER 523 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1xkx n TYR 524 N -0.75 0.04 0.29 7.33 4.01 -0.35 -4.68 117.16 123.05 1xkx n TYR 524 Ca 0.09 -0.19 0.16 0.00 -0.16 0.00 0.00 57.90 57.80 1xkx n TYR 524 Cb 0.04 -0.02 0.93 0.00 -0.31 0.00 0.00 39.34 39.98 1xkx n TYR 524 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1xkx h VAL 525 N 0.43 0.47 -0.25 -0.72 3.04 -1.47 0.14 116.25 117.90 1xkx h VAL 525 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1xkx h VAL 525 Cb 0.26 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 1xkx h VAL 525 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.03 1xkx n ASP 526 N -3.77 2.77 -4.62 3.17 10.43 -1.26 -4.87 116.55 118.40 1xkx n ASP 526 Ca -0.02 -1.82 -0.43 0.00 2.57 0.00 0.00 54.79 55.09 1xkx n ASP 526 Cb 0.12 -0.16 -0.02 0.00 1.84 0.00 0.00 41.12 42.90 1xkx n ASP 526 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1xkx s ASP 527 N -1.13 6.72 0.24 -2.24 3.68 0.04 -4.92 116.67 119.06 1xkx s ASP 527 Ca 0.25 0.78 -0.06 0.00 2.13 0.00 0.00 52.55 55.65 1xkx s ASP 527 Cb 0.15 -2.55 0.28 0.00 -1.45 0.00 0.00 42.92 39.35 1xkx s ASP 527 CO 0.20 -1.12 1.89 -0.08 0.13 0.00 0.00 175.17 176.19 1xkx h GLU 528 N 8.97 1.10 -0.03 4.34 4.57 -1.91 -0.61 114.58 131.00 1xkx h GLU 528 Ca -0.23 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 57.88 1xkx h GLU 528 Cb 1.07 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 29.41 1xkx h GLU 528 CO 1.08 0.73 0.01 0.00 -1.18 0.00 0.00 179.01 179.65 1xkx h ALA 529 N 1.37 0.03 -0.12 2.92 0.00 -1.95 -1.88 119.26 119.65 1xkx h ALA 529 Ca 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1xkx h ALA 529 Cb 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xkx h ALA 529 CO -0.12 -0.40 0.07 0.35 0.00 0.00 0.00 179.25 179.15 1xkx h PHE 530 N -0.08 0.15 -0.67 0.00 -0.00 -1.81 -0.92 116.94 113.61 1xkx h PHE 530 Ca 0.01 0.00 0.12 0.00 -0.00 0.00 0.00 57.97 58.11 1xkx h PHE 530 Cb 0.12 -0.05 -0.09 0.00 -0.00 0.00 0.00 35.95 35.93 1xkx h PHE 530 CO -0.03 0.11 0.21 0.82 -0.00 0.00 0.00 178.31 179.42 1xkx h ILE 531 N 0.14 0.66 -0.66 1.41 2.04 -1.04 0.92 117.51 120.98 1xkx h ILE 531 Ca 0.04 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.73 1xkx h ILE 531 Cb 0.00 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.32 1xkx h ILE 531 CO -0.01 0.06 0.22 -0.09 0.00 0.00 0.00 178.15 178.34 1xkx h ARG 532 N 0.36 1.01 -0.29 2.37 2.43 -0.90 -2.34 114.38 117.02 1xkx h ARG 532 Ca 0.36 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 1xkx h ARG 532 Cb 0.53 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1xkx h ARG 532 CO -0.40 0.87 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.44 1xkx h ASP 533 N 0.94 0.55 -0.43 -3.80 3.32 0.18 -0.32 116.42 116.86 1xkx h ASP 533 Ca 0.21 -0.36 0.05 0.00 0.02 0.00 0.00 57.03 56.96 1xkx h ASP 533 Cb 0.27 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.63 1xkx h ASP 533 CO -0.01 0.77 0.17 0.58 -1.72 0.00 0.00 179.24 179.03 1xkx h VAL 534 N 0.31 0.89 -0.32 -1.35 2.07 -0.81 -0.24 116.25 116.80 1xkx h VAL 534 Ca 0.07 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 1xkx h VAL 534 Cb 0.53 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1xkx h VAL 534 CO 0.03 0.06 -0.11 0.00 0.02 0.00 0.00 177.57 177.57 1xkx h ALA 535 N 1.27 1.22 -0.39 1.67 0.00 -1.31 -2.50 119.26 119.22 1xkx h ALA 535 Ca 0.20 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1xkx h ALA 535 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1xkx h ALA 535 CO -0.19 0.50 -0.11 -0.22 0.00 0.00 0.00 179.25 179.24 1xkx h LYS 536 N 0.50 0.76 -0.35 0.00 3.64 -0.20 -1.62 116.57 119.30 1xkx h LYS 536 Ca 0.09 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 1xkx h LYS 536 Cb 0.49 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1xkx h LYS 536 CO 0.03 0.91 0.19 0.28 -2.27 0.00 0.00 179.45 178.59 1xkx h VAL 537 N 0.57 1.14 -0.32 2.00 2.07 -0.90 -0.39 116.25 120.43 1xkx h VAL 537 Ca 0.10 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.25 1xkx h VAL 537 Cb 0.64 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1xkx h VAL 537 CO 0.04 0.15 0.16 0.50 0.02 0.00 0.00 177.57 178.45 1xkx h LYS 538 N 0.44 0.33 -0.90 1.57 1.63 -1.38 -0.24 116.57 118.02 1xkx h LYS 538 Ca 0.12 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.92 1xkx h LYS 538 Cb 0.07 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.58 1xkx h LYS 538 CO -0.02 0.22 0.59 0.37 -3.45 0.00 0.00 179.45 177.16 1xkx h GLN 539 N 0.34 1.16 -0.63 1.90 5.75 -0.97 -0.47 115.11 122.19 1xkx h GLN 539 Ca 0.13 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.51 1xkx h GLN 539 Cb 0.04 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.30 1xkx h GLN 539 CO -0.09 0.77 0.20 0.93 -2.65 0.00 0.00 178.83 177.99 1xkx h GLU 540 N 1.20 0.98 -0.76 1.69 5.08 -0.54 -1.01 114.58 121.22 1xkx h GLU 540 Ca 0.34 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 1xkx h GLU 540 Cb -0.10 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 1xkx h GLU 540 CO -0.09 0.86 0.27 -0.91 -1.00 0.00 0.00 179.01 178.14 1xkx h ASN 541 N 0.91 1.07 -0.41 1.42 2.35 -0.34 -0.43 115.58 120.15 1xkx h ASN 541 Ca 0.20 -0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 55.66 1xkx h ASN 541 Cb 0.29 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1xkx h ASN 541 CO -0.01 0.97 -0.14 0.11 -1.65 0.00 0.00 177.43 176.71 1xkx h LYS 542 N 1.11 0.88 -0.32 0.81 1.57 -0.83 -0.34 116.57 119.45 1xkx h LYS 542 Ca 0.25 -0.32 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1xkx h LYS 542 Cb 0.26 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1xkx h LYS 542 CO -0.01 0.96 0.02 -0.07 -0.57 0.00 0.00 179.45 179.77 1xkx h LEU 543 N 0.78 0.55 -0.75 2.94 3.38 -0.83 0.14 115.31 121.51 1xkx h LEU 543 Ca 0.12 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1xkx h LEU 543 Cb 0.66 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1xkx h LEU 543 CO 0.05 0.70 0.33 0.50 0.09 0.00 0.00 178.44 180.11 1xkx h LYS 544 N 0.37 1.11 -0.24 1.13 3.64 -0.91 -1.34 116.57 120.32 1xkx h LYS 544 Ca 0.09 -0.18 -0.17 0.00 -1.27 0.00 0.00 60.65 59.12 1xkx h LYS 544 Cb 0.41 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1xkx h LYS 544 CO 0.01 0.88 -0.53 0.35 -2.27 0.00 0.00 179.45 177.90 1xkx h PHE 545 N 1.07 1.00 -0.16 1.91 3.57 -0.90 -1.66 116.94 121.78 1xkx h PHE 545 Ca 0.25 -0.37 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1xkx h PHE 545 Cb 0.17 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1xkx h PHE 545 CO 0.01 1.18 0.10 0.00 -2.23 0.00 0.00 178.31 177.38 1xkx h ALA 546 N 0.63 1.90 -0.03 2.41 0.00 -0.51 -0.66 119.26 123.00 1xkx h ALA 546 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1xkx h ALA 546 Cb 1.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1xkx h ALA 546 CO 0.12 0.09 -0.16 0.00 0.00 0.00 0.00 179.25 179.29 1xkx h ALA 547 N 1.90 0.07 -0.98 0.00 0.00 -1.05 -3.20 119.26 115.99 1xkx h ALA 547 Ca 0.06 -0.39 0.13 0.00 0.00 0.00 0.00 54.91 54.71 1xkx h ALA 547 Cb -0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 1xkx h ALA 547 CO -0.01 0.01 0.62 -0.92 0.00 0.00 0.00 179.25 178.95 1xkx h TYR 548 N -0.41 1.07 0.00 0.00 5.03 -0.47 -0.17 116.97 122.02 1xkx h TYR 548 Ca -0.01 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.32 1xkx h TYR 548 Cb 0.82 -0.34 -0.00 0.00 1.55 0.00 0.00 36.73 38.76 1xkx h TYR 548 CO 0.14 0.40 -0.03 -0.07 -1.32 0.00 0.00 178.16 177.28 1xkx h LEU 549 N 0.91 0.00 0.00 2.82 3.38 -1.15 -1.93 115.31 119.34 1xkx h LEU 549 Ca 0.50 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.19 1xkx h LEU 549 Cb 0.58 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 1xkx h LEU 549 CO -0.27 0.03 -1.71 -0.62 0.09 0.00 0.00 178.44 175.97 1xkx n GLU 550 N -4.24 0.63 0.06 1.13 1.02 -0.22 -1.30 120.64 117.72 1xkx n GLU 550 Ca -0.03 0.26 -0.03 0.00 -0.02 0.00 0.00 57.16 57.35 1xkx n GLU 550 Cb 0.12 -1.78 -0.01 0.00 -0.02 0.00 0.00 31.44 29.75 1xkx n GLU 550 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xkx h ARG 551 N 0.00 -0.16 0.00 3.49 3.08 -0.46 -2.51 114.38 117.83 1xkx h ARG 551 Ca -0.28 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1xkx h ARG 551 Cb 1.95 0.04 0.00 0.00 0.08 0.00 0.00 29.97 32.04 1xkx h ARG 551 CO 0.07 -0.11 -0.37 0.93 -1.07 0.00 0.00 179.97 179.42 1xkx h GLU 552 N -0.20 0.00 0.00 0.04 3.07 -1.60 -3.39 114.58 112.50 1xkx h GLU 552 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1xkx h GLU 552 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1xkx h GLU 552 CO 0.03 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.30 1xkx n TYR 553 N -2.47 0.00 -3.20 4.33 4.01 -1.15 -5.09 117.16 113.58 1xkx n TYR 553 Ca 0.04 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.55 1xkx n TYR 553 Cb 0.48 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.53 1xkx n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1xkx n LYS 554 N -0.38 -2.05 -3.15 -0.72 4.76 -0.42 -4.91 118.16 111.29 1xkx n LYS 554 Ca 0.00 1.71 0.04 0.00 -2.87 0.00 0.00 58.31 57.19 1xkx n LYS 554 Cb 0.04 -3.45 -0.01 0.00 -1.84 0.00 0.00 35.03 29.77 1xkx n LYS 554 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1xkx s VAL 555 N -1.84 -0.87 0.24 -0.18 -7.23 -1.15 -4.95 120.40 104.42 1xkx s VAL 555 Ca 0.28 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.16 1xkx s VAL 555 Cb -0.05 -0.96 -0.10 0.00 0.56 0.00 0.00 36.38 35.84 1xkx s VAL 555 CO 0.76 0.00 1.36 -1.00 -0.31 0.00 0.00 175.10 175.91 1xkx s HIS 556 N 2.87 3.13 0.06 2.82 0.09 -1.26 -4.33 115.29 118.67 1xkx s HIS 556 Ca 0.16 1.18 -0.02 0.00 -0.00 0.00 0.00 55.06 56.38 1xkx s HIS 556 Cb -0.12 -3.70 -0.03 0.00 -0.00 0.00 0.00 32.58 28.73 1xkx s HIS 556 CO -0.21 -2.17 0.01 0.96 -0.00 0.00 0.00 174.74 173.33 1xkx s ILE 557 N -0.16 0.20 -0.43 0.60 -4.36 -1.26 -5.13 121.20 110.66 1xkx s ILE 557 Ca 0.56 -1.72 -0.17 0.00 -0.26 0.00 0.00 60.65 59.06 1xkx s ILE 557 Cb -0.39 -1.52 0.03 0.00 1.25 0.00 0.00 42.46 41.83 1xkx s ILE 557 CO 0.43 -0.93 0.46 0.21 0.24 0.00 0.00 174.94 175.34 1xkx s ASN 558 N -2.92 6.20 0.21 4.36 2.47 -1.26 -4.95 114.94 119.05 1xkx s ASN 558 Ca 0.07 -0.73 0.14 0.00 0.42 0.00 0.00 52.86 52.76 1xkx s ASN 558 Cb 0.08 -2.23 0.76 0.00 -1.45 0.00 0.00 41.25 38.40 1xkx s ASN 558 CO -0.10 -0.62 1.43 -2.65 -3.72 0.00 0.00 177.10 171.44 1xkx n PRO 559 N 5.64 0.09 0.04 0.43 -0.02 -1.26 -1.71 135.00 138.21 1xkx n PRO 559 Ca -0.07 0.59 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 1xkx n PRO 559 Cb 0.47 -1.80 0.14 0.00 -0.02 0.00 0.00 33.50 32.30 1xkx n PRO 559 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1xkx n ASN 560 N -1.99 0.64 -4.83 2.55 5.03 -1.26 -4.88 115.26 110.52 1xkx n ASN 560 Ca -0.01 -0.04 -0.30 0.00 0.87 0.00 0.00 54.58 55.10 1xkx n ASN 560 Cb 0.02 0.36 0.08 0.00 -1.02 0.00 0.00 39.78 39.23 1xkx n ASN 560 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1xkx s SER 561 N -3.91 4.71 -0.02 6.41 1.04 -0.69 -4.95 113.70 116.28 1xkx s SER 561 Ca 0.06 1.22 -0.30 0.00 0.48 0.00 0.00 55.95 57.41 1xkx s SER 561 Cb 0.14 -1.95 -0.03 0.00 0.10 0.00 0.00 66.02 64.28 1xkx s SER 561 CO 0.74 -1.82 1.08 -0.22 0.98 0.00 0.00 173.24 174.00 1xkx s LEU 562 N -5.66 4.32 -0.60 2.42 0.20 0.13 -4.80 118.68 114.69 1xkx s LEU 562 Ca 0.60 1.74 -0.22 0.00 0.69 0.00 0.00 54.13 56.94 1xkx s LEU 562 Cb -0.13 -3.57 0.06 0.00 -0.43 0.00 0.00 46.19 42.12 1xkx s LEU 562 CO 0.53 -0.42 0.88 -0.36 -0.29 0.00 0.00 176.35 176.69 1xkx s PHE 563 N 1.52 2.79 -0.48 5.38 2.99 -1.26 -0.60 117.98 128.32 1xkx s PHE 563 Ca 0.53 -0.42 -0.16 0.00 0.00 0.00 0.00 56.93 56.88 1xkx s PHE 563 Cb -0.23 -4.09 0.07 0.00 0.00 0.00 0.00 43.02 38.77 1xkx s PHE 563 CO 0.25 -1.44 0.44 0.34 -0.00 0.00 0.00 175.22 174.81 1xkx s ASP 564 N 3.27 6.16 -0.01 1.36 3.68 -0.05 -1.28 116.67 129.80 1xkx s ASP 564 Ca 0.23 -1.25 0.06 0.00 2.13 0.00 0.00 52.55 53.72 1xkx s ASP 564 Cb -0.17 -2.20 -0.01 0.00 -1.45 0.00 0.00 42.92 39.09 1xkx s ASP 564 CO 0.13 -0.69 -0.18 0.68 0.13 0.00 0.00 175.17 175.24 1xkx s VAL 565 N 1.82 1.46 -0.29 1.11 -7.23 -0.63 0.58 120.40 117.23 1xkx s VAL 565 Ca 0.06 -0.80 -0.01 0.00 -1.81 0.00 0.00 61.98 59.43 1xkx s VAL 565 Cb -0.23 -1.21 0.09 0.00 0.56 0.00 0.00 36.38 35.58 1xkx s VAL 565 CO 0.08 0.41 0.07 -1.58 -0.31 0.00 0.00 175.10 173.77 1xkx s GLN 566 N -0.45 0.81 -0.12 4.82 0.74 0.55 -2.14 119.66 123.87 1xkx s GLN 566 Ca 0.07 -1.01 0.02 0.00 0.05 0.00 0.00 55.36 54.50 1xkx s GLN 566 Cb -0.07 -2.11 0.01 0.00 1.10 0.00 0.00 33.01 31.94 1xkx s GLN 566 CO -0.01 -0.90 -0.18 0.14 -0.55 0.00 0.00 175.29 173.79 1xkx s VAL 567 N 1.60 1.76 0.00 1.34 -7.23 -1.26 -1.66 120.40 114.95 1xkx s VAL 567 Ca 0.07 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.44 1xkx s VAL 567 Cb -0.17 -1.58 0.00 0.00 0.56 0.00 0.00 36.38 35.19 1xkx s VAL 567 CO -0.20 0.49 0.00 2.29 -0.31 0.00 0.00 175.10 177.37 1xkx n LYS 568 N 4.15 0.00 -1.70 4.82 2.85 -0.84 -4.99 118.16 122.45 1xkx n LYS 568 Ca -0.19 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.68 1xkx n LYS 568 Cb 0.51 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.94 1xkx n LYS 568 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1xkx n ARG 569 N -0.29 1.42 -2.52 -1.58 5.12 -1.26 -3.96 116.66 113.58 1xkx n ARG 569 Ca 0.00 0.53 -0.43 0.00 -1.93 0.00 0.00 57.85 56.02 1xkx n ARG 569 Cb 0.00 -2.43 -0.02 0.00 -1.16 0.00 0.00 32.46 28.85 1xkx n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1xkx s ILE 570 N -1.35 4.43 -0.04 0.55 -1.09 -0.49 -4.89 121.20 118.32 1xkx s ILE 570 Ca 0.73 1.72 -0.21 0.00 -2.23 0.00 0.00 60.65 60.66 1xkx s ILE 570 Cb -0.43 -4.14 0.04 0.00 -1.58 0.00 0.00 42.46 36.35 1xkx s ILE 570 CO 0.48 -0.19 0.46 -2.28 -1.23 0.00 0.00 174.94 172.19 1xkx s HIS 571 N 3.45 -0.39 0.35 3.97 2.46 -1.26 -4.70 115.29 119.18 1xkx s HIS 571 Ca 0.50 0.65 0.04 0.00 0.47 0.00 0.00 55.06 56.73 1xkx s HIS 571 Cb -0.18 0.22 0.64 0.00 -0.13 0.00 0.00 32.58 33.13 1xkx s HIS 571 CO 0.12 -0.47 1.94 0.93 -2.47 0.00 0.00 174.74 174.78 1xkx h GLU 572 N 3.59 0.64 0.00 2.88 5.08 -1.96 -2.53 114.58 122.28 1xkx h GLU 572 Ca -0.28 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 57.93 1xkx h GLU 572 Cb 1.16 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1xkx h GLU 572 CO 0.39 0.54 -0.24 0.10 -1.00 0.00 0.00 179.01 178.79 1xkx h TYR 573 N 0.63 0.00 0.00 4.33 -0.00 -1.97 -2.32 116.97 117.63 1xkx h TYR 573 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.88 1xkx h TYR 573 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.88 1xkx h TYR 573 CO 0.01 0.24 0.00 1.63 -0.00 0.00 0.00 178.16 180.04 1xkx n LYS 574 N -3.38 0.02 -3.73 0.10 5.02 -0.96 -2.89 118.16 112.34 1xkx n LYS 574 Ca 0.00 0.02 -0.22 0.00 -2.02 0.00 0.00 58.31 56.09 1xkx n LYS 574 Cb 0.45 -1.52 0.03 0.00 -0.02 0.00 0.00 35.03 33.97 1xkx n LYS 574 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1xkx n ARG 575 N -1.56 -4.88 0.29 1.97 1.74 -0.88 -4.07 116.66 109.28 1xkx n ARG 575 Ca 0.07 0.61 0.13 0.00 -0.77 0.00 0.00 57.85 57.89 1xkx n ARG 575 Cb 0.35 -5.17 0.84 0.00 -1.02 0.00 0.00 32.46 27.45 1xkx n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1xkx h GLN 576 N -1.88 0.00 -0.46 5.56 7.50 -1.84 -0.75 115.11 123.23 1xkx h GLN 576 Ca -0.61 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 58.51 1xkx h GLN 576 Cb 1.36 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.87 1xkx h GLN 576 CO 0.57 0.00 0.14 -0.07 -1.50 0.00 0.00 178.83 177.98 1xkx h LEU 577 N 0.00 0.61 -0.59 1.46 3.38 -1.90 -0.41 115.31 117.85 1xkx h LEU 577 Ca -0.00 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1xkx h LEU 577 Cb 0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1xkx h LEU 577 CO 0.00 0.58 0.13 0.25 0.09 0.00 0.00 178.44 179.50 1xkx h LEU 578 N 0.66 0.91 -0.50 1.67 5.85 -1.51 -0.90 115.31 121.49 1xkx h LEU 578 Ca 0.15 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1xkx h LEU 578 Cb 0.19 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1xkx h LEU 578 CO -0.01 0.92 0.31 -1.13 -0.34 0.00 0.00 178.44 178.19 1xkx h ASN 579 N 0.86 0.59 -0.80 1.25 -0.00 -1.32 -2.11 115.58 114.05 1xkx h ASN 579 Ca 0.18 -0.04 0.06 0.00 -0.00 0.00 0.00 56.30 56.50 1xkx h ASN 579 Cb 0.37 -0.15 -0.06 0.00 -0.00 0.00 0.00 38.32 38.48 1xkx h ASN 579 CO 0.00 0.45 0.49 0.00 -0.00 0.00 0.00 177.43 178.38 1xkx h LEU 581 N 0.90 1.09 -0.29 0.00 3.38 -0.67 -1.46 115.31 118.27 1xkx h LEU 581 Ca 0.35 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 1xkx h LEU 581 Cb 0.15 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1xkx h LEU 581 CO -0.16 0.87 0.02 -0.74 0.09 0.00 0.00 178.44 178.52 1xkx h HIS 582 N 1.23 0.53 -0.51 1.13 2.76 -0.67 -1.07 115.15 118.55 1xkx h HIS 582 Ca 0.31 -0.08 0.05 0.00 -2.20 0.00 0.00 60.37 58.45 1xkx h HIS 582 Cb 0.02 -0.14 -0.05 0.00 1.55 0.00 0.00 27.41 28.79 1xkx h HIS 582 CO 0.01 0.61 0.23 0.28 -1.30 0.00 0.00 177.93 177.76 1xkx h VAL 583 N 0.30 0.91 -0.26 5.26 2.07 -0.89 0.62 116.25 124.26 1xkx h VAL 583 Ca 0.08 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 1xkx h VAL 583 Cb 0.38 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1xkx h VAL 583 CO 0.01 0.08 -0.16 0.40 0.02 0.00 0.00 177.57 177.92 1xkx h ILE 584 N 0.45 1.23 -0.44 4.57 2.04 -1.16 -1.09 117.51 123.11 1xkx h ILE 584 Ca 0.23 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 1xkx h ILE 584 Cb 0.18 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1xkx h ILE 584 CO -0.19 0.34 0.19 0.74 0.00 0.00 0.00 178.15 179.23 1xkx h THR 585 N 0.41 1.19 -0.53 -0.27 2.02 0.08 0.54 112.91 116.36 1xkx h THR 585 Ca 0.07 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1xkx h THR 585 Cb 0.52 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 1xkx h THR 585 CO 0.03 0.21 0.30 -0.07 0.37 0.00 0.00 175.52 176.36 1xkx h LEU 586 N 0.57 0.66 -0.40 2.58 4.07 -0.45 -1.20 115.31 121.14 1xkx h LEU 586 Ca 0.15 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 1xkx h LEU 586 Cb 0.15 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 1xkx h LEU 586 CO -0.02 0.55 0.19 0.22 -1.08 0.00 0.00 178.44 178.31 1xkx h TYR 587 N 0.71 0.58 -0.41 1.13 5.03 -0.88 -2.13 116.97 121.01 1xkx h TYR 587 Ca 0.19 -0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.41 1xkx h TYR 587 Cb 0.03 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.11 1xkx h TYR 587 CO -0.02 0.48 -0.00 -0.91 -1.32 0.00 0.00 178.16 176.39 1xkx h ASN 588 N 0.51 0.62 -0.24 -2.11 2.35 -0.63 -1.81 115.58 114.28 1xkx h ASN 588 Ca 0.14 -0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 1xkx h ASN 588 Cb 0.12 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1xkx h ASN 588 CO -0.02 0.69 -0.19 0.03 -1.65 0.00 0.00 177.43 176.30 1xkx h ARG 589 N 0.62 0.68 -0.30 0.81 3.08 -0.98 -1.48 114.38 116.81 1xkx h ARG 589 Ca 0.13 -0.25 -0.09 0.00 0.07 0.00 0.00 59.98 59.84 1xkx h ARG 589 Cb 0.39 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1xkx h ARG 589 CO 0.01 0.83 -0.16 0.82 -1.07 0.00 0.00 179.97 180.40 1xkx h ILE 590 N 0.61 1.29 0.00 2.04 2.04 -1.07 -1.89 117.51 120.53 1xkx h ILE 590 Ca 0.09 -1.26 -0.05 0.00 1.00 0.00 0.00 64.86 64.64 1xkx h ILE 590 Cb 0.66 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1xkx h ILE 590 CO 0.05 0.40 -0.22 0.11 0.00 0.00 0.00 178.15 178.49 1xkx h LYS 591 N 0.39 0.00 0.01 2.37 1.79 -1.19 0.98 116.57 120.93 1xkx h LYS 591 Ca 0.07 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.28 1xkx h LYS 591 Cb 0.68 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.35 1xkx h LYS 591 CO 0.05 0.22 -1.03 -0.22 -1.08 0.00 0.00 179.45 177.39 1xkx h LYS 592 N 0.00 0.58 -2.24 3.15 3.64 -1.07 -3.38 116.57 117.25 1xkx h LYS 592 Ca -0.00 -0.65 -0.58 0.00 -1.27 0.00 0.00 60.65 58.15 1xkx h LYS 592 Cb 0.42 0.19 -0.39 0.00 -0.41 0.00 0.00 32.23 32.04 1xkx h LYS 592 CO 0.03 1.25 -0.94 0.39 -2.27 0.00 0.00 179.45 177.91 1xkx n GLU 593 N -3.80 0.92 -0.27 1.90 1.02 -0.73 -5.01 120.64 114.67 1xkx n GLU 593 Ca -0.10 -3.54 0.06 0.00 -0.02 0.00 0.00 57.16 53.57 1xkx n GLU 593 Cb 0.88 -1.60 0.20 0.00 -0.02 0.00 0.00 31.44 30.90 1xkx n GLU 593 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1xkx h PRO 594 N 4.64 0.47 -0.78 3.49 0.11 -1.01 -2.62 132.00 136.32 1xkx h PRO 594 Ca 0.16 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 1xkx h PRO 594 Cb 0.84 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 1xkx h PRO 594 CO 0.51 0.31 0.00 0.09 -0.21 0.00 0.00 178.00 178.71 1xkx n ASN 595 N -4.97 3.55 -4.86 -2.05 4.13 -1.26 -4.85 115.26 104.95 1xkx n ASN 595 Ca 0.15 -2.50 -0.37 0.00 1.68 0.00 0.00 54.58 53.54 1xkx n ASN 595 Cb 0.44 -0.60 -0.06 0.00 -1.54 0.00 0.00 39.78 38.01 1xkx n ASN 595 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1xkx s LYS 596 N -1.95 3.64 0.22 3.52 2.36 -0.99 -5.07 119.74 121.48 1xkx s LYS 596 Ca 0.29 0.08 -0.30 0.00 -2.55 0.00 0.00 55.97 53.50 1xkx s LYS 596 Cb 0.22 -3.19 -0.08 0.00 -1.05 0.00 0.00 37.83 33.73 1xkx s LYS 596 CO 0.09 0.73 1.01 0.12 1.55 0.00 0.00 175.35 178.85 1xkx s PHE 597 N -1.08 3.78 -0.02 4.03 5.36 -1.26 -5.05 117.98 123.74 1xkx s PHE 597 Ca 0.20 1.79 -0.04 0.00 -0.96 0.00 0.00 56.93 57.92 1xkx s PHE 597 Cb -0.14 -3.13 0.00 0.00 -0.34 0.00 0.00 43.02 39.42 1xkx s PHE 597 CO 0.09 -0.04 0.09 0.14 -1.46 0.00 0.00 175.22 174.04 1xkx s VAL 598 N -0.84 0.03 0.06 3.12 -7.23 -1.26 -5.11 120.40 109.17 1xkx s VAL 598 Ca 0.44 -0.23 -0.30 0.00 -1.81 0.00 0.00 61.98 60.08 1xkx s VAL 598 Cb -0.28 -0.21 -0.09 0.00 0.56 0.00 0.00 36.38 36.36 1xkx s VAL 598 CO 0.35 -0.13 1.87 -0.69 -0.31 0.00 0.00 175.10 176.19 1xkx s VAL 599 N -0.38 2.92 0.37 1.32 1.01 -1.26 -4.92 120.40 119.46 1xkx s VAL 599 Ca -0.04 0.13 -0.28 0.00 0.00 0.00 0.00 61.98 61.78 1xkx s VAL 599 Cb -0.03 -3.08 -0.11 0.00 0.00 0.00 0.00 36.38 33.16 1xkx s VAL 599 CO 0.00 -0.01 1.47 -2.84 0.00 0.00 0.00 175.10 173.72 1xkx s PRO 600 N 3.77 4.14 0.03 2.72 0.02 -1.26 -4.92 135.00 139.51 1xkx s PRO 600 Ca 0.84 2.52 0.02 0.00 0.02 0.00 0.00 61.00 64.40 1xkx s PRO 600 Cb -0.43 -2.98 -0.02 0.00 0.02 0.00 0.00 34.50 31.09 1xkx s PRO 600 CO 0.38 -0.49 -0.07 1.03 -0.33 0.00 0.00 177.00 177.52 1xkx s ARG 601 N -2.00 0.51 -0.28 5.54 0.52 -0.45 -0.70 118.95 122.10 1xkx s ARG 601 Ca 0.53 -0.64 0.03 0.00 -0.52 0.00 0.00 55.73 55.13 1xkx s ARG 601 Cb -0.46 -0.33 0.07 0.00 0.52 0.00 0.00 34.95 34.76 1xkx s ARG 601 CO 0.61 0.07 -0.05 0.99 0.02 0.00 0.00 175.30 176.94 1xkx s THR 602 N -1.11 2.07 -0.31 0.02 2.01 0.23 -2.08 115.64 116.47 1xkx s THR 602 Ca -0.07 -1.78 -0.18 0.00 0.31 0.00 0.00 61.69 59.97 1xkx s THR 602 Cb -0.08 -2.31 -0.01 0.00 0.01 0.00 0.00 72.50 70.10 1xkx s THR 602 CO 0.00 -0.22 0.51 -0.69 -0.69 0.00 0.00 174.62 173.53 1xkx s VAL 603 N 1.10 5.04 -0.16 3.82 1.01 0.44 -0.87 120.40 130.78 1xkx s VAL 603 Ca -0.02 0.55 -0.01 0.00 0.00 0.00 0.00 61.98 62.50 1xkx s VAL 603 Cb -0.19 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 1xkx s VAL 603 CO -0.07 -0.09 -0.13 -0.04 0.00 0.00 0.00 175.10 174.78 1xkx s MET 604 N 2.36 3.30 -0.06 2.72 -1.94 0.20 -0.97 119.30 124.90 1xkx s MET 604 Ca 0.19 -0.71 0.02 0.00 -1.71 0.00 0.00 55.69 53.49 1xkx s MET 604 Cb -0.15 -2.69 0.01 0.00 2.01 0.00 0.00 34.83 34.01 1xkx s MET 604 CO 0.12 0.04 -0.12 0.42 -0.01 0.00 0.00 175.02 175.48 1xkx s ILE 605 N 0.77 1.07 0.06 2.53 1.01 -0.59 -0.33 121.20 125.72 1xkx s ILE 605 Ca -0.05 -0.46 -0.10 0.00 0.00 0.00 0.00 60.65 60.04 1xkx s ILE 605 Cb -0.15 -0.98 0.01 0.00 0.01 0.00 0.00 42.46 41.35 1xkx s ILE 605 CO 0.01 0.34 0.23 -0.83 0.00 0.00 0.00 174.94 174.68 1xkx s GLY 606 N 0.58 0.00 0.00 6.18 0.00 -0.66 -0.54 107.32 112.88 1xkx s GLY 606 Ca -0.12 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.28 1xkx s GLY 606 CO 0.03 -0.50 0.00 0.61 0.00 0.00 0.00 173.10 173.24 1xkx n GLY 607 N 0.39 3.82 3.91 0.20 0.00 -1.25 -1.98 105.19 110.27 1xkx n GLY 607 Ca -0.17 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 1xkx n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xkx s LYS 608 N -2.55 3.56 -0.07 1.61 1.02 -1.26 -4.62 119.74 117.43 1xkx s LYS 608 Ca 0.00 -0.22 -0.00 0.00 0.02 0.00 0.00 55.97 55.77 1xkx s LYS 608 Cb 0.00 -2.90 -0.03 0.00 -0.52 0.00 0.00 37.83 34.38 1xkx s LYS 608 CO 0.00 0.49 -0.04 0.00 -0.92 0.00 0.00 175.35 174.89 1xkx s ALA 609 N -1.66 3.13 0.32 5.17 0.00 -1.26 -1.40 121.76 126.05 1xkx s ALA 609 Ca 0.39 -0.87 -0.29 0.00 0.00 0.00 0.00 51.96 51.19 1xkx s ALA 609 Cb -0.12 -1.33 -0.11 0.00 0.00 0.00 0.00 23.12 21.56 1xkx s ALA 609 CO 0.26 0.59 1.52 0.00 0.00 0.00 0.00 175.76 178.13 1xkx s ALA 610 N -0.87 3.66 0.39 0.00 0.00 -1.26 -4.86 121.76 118.82 1xkx s ALA 610 Ca 0.13 1.52 0.19 0.00 0.00 0.00 0.00 51.96 53.80 1xkx s ALA 610 Cb -0.11 -3.61 1.13 0.00 0.00 0.00 0.00 23.12 20.53 1xkx s ALA 610 CO 0.03 -0.95 1.73 -1.35 0.00 0.00 0.00 175.76 175.21 1xkx h PRO 611 N 4.17 0.35 -0.70 0.00 0.11 -1.98 -1.10 132.00 132.85 1xkx h PRO 611 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1xkx h PRO 611 Cb 1.23 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1xkx h PRO 611 CO 0.73 0.23 0.00 0.41 -0.21 0.00 0.00 178.00 179.16 1xkx n GLY 612 N -1.45 2.29 3.39 -0.55 0.00 -1.26 -4.76 105.19 102.85 1xkx n GLY 612 Ca 0.28 -0.76 -0.45 0.00 0.00 0.00 0.00 46.02 45.09 1xkx n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xkx s TYR 613 N -1.08 3.55 0.14 1.61 6.04 -0.42 -4.92 117.35 122.27 1xkx s TYR 613 Ca 0.47 -1.84 -0.23 0.00 0.04 0.00 0.00 57.07 55.51 1xkx s TYR 613 Cb 0.25 -4.03 0.01 0.00 -1.04 0.00 0.00 41.96 37.14 1xkx s TYR 613 CO 0.32 -1.20 1.63 1.25 -1.54 0.00 0.00 175.55 176.01 1xkx h HIS 614 N 8.03 -0.65 -0.97 4.97 -0.00 -1.85 -2.13 115.15 122.54 1xkx h HIS 614 Ca 0.15 0.03 0.08 0.00 -0.00 0.00 0.00 60.37 60.64 1xkx h HIS 614 Cb 1.01 0.32 -0.07 0.00 -0.00 0.00 0.00 27.41 28.66 1xkx h HIS 614 CO 1.07 -0.32 0.63 1.98 -0.00 0.00 0.00 177.93 181.28 1xkx h MET 615 N -0.28 1.04 -0.66 5.26 1.85 -1.98 -0.75 114.93 119.41 1xkx h MET 615 Ca 0.12 -0.06 -0.05 0.00 -0.61 0.00 0.00 59.70 59.09 1xkx h MET 615 Cb 0.46 -0.23 -0.03 0.00 0.43 0.00 0.00 31.60 32.23 1xkx h MET 615 CO -0.34 0.69 0.21 0.00 -0.40 0.00 0.00 176.91 177.06 1xkx h ALA 616 N 1.50 1.12 -0.06 0.39 0.00 -1.78 -0.77 119.26 119.67 1xkx h ALA 616 Ca 0.44 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1xkx h ALA 616 Cb 0.29 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1xkx h ALA 616 CO -0.19 0.61 -0.56 0.87 0.00 0.00 0.00 179.25 179.98 1xkx h LYS 617 N 0.98 0.18 -0.11 0.00 1.57 -0.61 -2.66 116.57 115.92 1xkx h LYS 617 Ca 0.22 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 1xkx h LYS 617 Cb 0.27 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1xkx h LYS 617 CO -0.01 0.69 -0.48 0.52 -0.57 0.00 0.00 179.45 179.60 1xkx h MET 618 N 0.14 0.27 -0.44 3.15 2.86 -0.60 -2.58 114.93 117.73 1xkx h MET 618 Ca -0.00 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.39 1xkx h MET 618 Cb 1.03 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 1xkx h MET 618 CO 0.08 0.69 -0.12 0.82 1.06 0.00 0.00 176.91 179.44 1xkx h ILE 619 N 0.22 1.26 -0.46 -1.22 2.04 -0.89 -0.90 117.51 117.56 1xkx h ILE 619 Ca 0.01 -1.20 -0.04 0.00 1.00 0.00 0.00 64.86 64.64 1xkx h ILE 619 Cb 0.93 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 1xkx h ILE 619 CO 0.08 0.41 0.15 0.40 0.00 0.00 0.00 178.15 179.18 1xkx h ILE 620 N 0.72 1.22 -0.87 -0.67 2.04 -1.28 -1.45 117.51 117.23 1xkx h ILE 620 Ca 0.12 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 1xkx h ILE 620 Cb 0.62 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1xkx h ILE 620 CO 0.04 0.27 0.49 0.50 0.00 0.00 0.00 178.15 179.44 1xkx h LYS 621 N 0.60 1.21 -0.41 2.37 1.63 -1.18 -1.98 116.57 118.81 1xkx h LYS 621 Ca 0.15 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1xkx h LYS 621 Cb 0.26 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 1xkx h LYS 621 CO -0.01 0.88 0.25 1.25 -3.45 0.00 0.00 179.45 178.37 1xkx h LEU 622 N 1.21 0.49 -0.06 5.20 6.46 -0.82 0.49 115.31 128.28 1xkx h LEU 622 Ca 0.31 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 1xkx h LEU 622 Cb 0.01 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 39.81 1xkx h LEU 622 CO -0.05 0.41 0.03 0.40 -0.62 0.00 0.00 178.44 178.61 1xkx h ILE 623 N 0.54 1.00 -0.30 4.05 2.04 -0.84 0.43 117.51 124.44 1xkx h ILE 623 Ca 0.15 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.91 1xkx h ILE 623 Cb 0.01 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1xkx h ILE 623 CO -0.03 0.01 -0.10 0.71 0.00 0.00 0.00 178.15 178.74 1xkx h THR 624 N 0.07 1.22 -0.67 -0.27 1.35 -1.22 -1.58 112.91 111.81 1xkx h THR 624 Ca 0.02 -0.98 -0.07 0.00 -0.55 0.00 0.00 66.41 64.84 1xkx h THR 624 Cb -0.00 1.11 -0.03 0.00 -1.73 0.00 0.00 68.15 67.50 1xkx h THR 624 CO -0.01 0.32 0.16 0.00 -0.25 0.00 0.00 175.52 175.74 1xkx h ALA 625 N 1.43 1.01 -0.60 6.62 0.00 -0.36 -0.18 119.26 127.18 1xkx h ALA 625 Ca 0.09 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1xkx h ALA 625 Cb 0.47 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1xkx h ALA 625 CO 0.03 0.64 0.05 0.82 0.00 0.00 0.00 179.25 180.79 1xkx h ILE 626 N 1.02 1.26 -0.80 0.00 2.04 -0.46 -2.69 117.51 117.88 1xkx h ILE 626 Ca 0.21 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 1xkx h ILE 626 Cb 0.36 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 1xkx h ILE 626 CO 0.00 0.39 0.40 1.23 0.00 0.00 0.00 178.15 180.18 1xkx h GLY 627 N 0.93 1.22 0.59 5.37 0.00 -0.72 -0.33 103.07 110.12 1xkx h GLY 627 Ca 0.18 -0.59 0.10 0.00 0.00 0.00 0.00 47.33 47.01 1xkx h GLY 627 CO 0.02 0.56 0.64 -0.55 0.00 0.00 0.00 176.54 177.21 1xkx h ASP 628 N 1.12 0.98 0.00 0.19 3.45 -0.72 0.13 116.42 121.58 1xkx h ASP 628 Ca 0.28 0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.77 1xkx h ASP 628 Cb 0.09 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.69 1xkx h ASP 628 CO -0.04 0.57 -0.00 0.58 -1.57 0.00 0.00 179.24 178.78 1xkx h VAL 629 N 1.08 1.19 -0.45 -1.35 2.07 -1.26 -3.34 116.25 114.19 1xkx h VAL 629 Ca 0.47 -1.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 1xkx h VAL 629 Cb 0.35 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1xkx h VAL 629 CO -0.23 0.40 0.26 0.58 0.02 0.00 0.00 177.57 178.60 1xkx h VAL 630 N -0.99 1.15 0.00 2.57 2.07 -0.97 -2.93 116.25 117.15 1xkx h VAL 630 Ca -0.00 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1xkx h VAL 630 Cb 0.66 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1xkx h VAL 630 CO 0.00 0.16 0.00 0.59 0.02 0.00 0.00 177.57 178.34 1xkx n ASN 631 N -4.71 0.18 -0.15 0.57 3.02 0.44 -3.06 115.26 111.55 1xkx n ASN 631 Ca 0.01 0.54 0.02 0.00 -0.03 0.00 0.00 54.58 55.12 1xkx n ASN 631 Cb 0.07 -0.58 0.04 0.00 -0.61 0.00 0.00 39.78 38.70 1xkx n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1xkx n HIS 632 N -1.69 0.11 -2.94 3.10 8.25 -1.14 -4.96 115.22 115.94 1xkx n HIS 632 Ca 0.04 -0.53 -0.43 0.00 -0.26 0.00 0.00 57.72 56.54 1xkx n HIS 632 Cb 0.21 -0.05 -0.05 0.00 1.12 0.00 0.00 29.99 31.22 1xkx n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1xkx s ASP 633 N -1.10 6.50 0.28 0.41 -1.08 -1.12 -4.94 116.67 115.62 1xkx s ASP 633 Ca 0.07 0.19 0.01 0.00 -0.52 0.00 0.00 52.55 52.30 1xkx s ASP 633 Cb 0.04 -2.40 0.61 0.00 -1.46 0.00 0.00 42.92 39.71 1xkx s ASP 633 CO 0.04 -0.82 1.76 -0.65 0.52 0.00 0.00 175.17 176.02 1xkx h PRO 634 N 8.70 0.65 -0.28 4.34 0.11 -1.92 -1.93 132.00 141.67 1xkx h PRO 634 Ca -0.25 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 1xkx h PRO 634 Cb 1.09 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1xkx h PRO 634 CO 0.94 0.43 0.10 0.28 -0.21 0.00 0.00 178.00 179.54 1xkx h VAL 635 N 0.67 1.12 -0.22 3.15 2.07 -1.97 -2.64 116.25 118.42 1xkx h VAL 635 Ca 0.51 -0.37 -0.18 0.00 0.82 0.00 0.00 66.70 67.48 1xkx h VAL 635 Cb 0.75 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1xkx h VAL 635 CO -0.38 0.14 -0.60 0.58 0.02 0.00 0.00 177.57 177.33 1xkx h VAL 636 N 0.39 1.30 0.00 2.57 2.07 -1.69 -3.49 116.25 117.40 1xkx h VAL 636 Ca 0.10 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.80 1xkx h VAL 636 Cb 0.09 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1xkx h VAL 636 CO -0.01 0.58 0.00 0.61 0.02 0.00 0.00 177.57 178.77 1xkx n GLY 637 N 0.40 2.67 1.58 2.17 0.00 -1.00 -2.12 105.19 108.90 1xkx n GLY 637 Ca -0.04 -0.41 0.06 0.00 0.00 0.00 0.00 46.02 45.62 1xkx n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xkx n ASP 638 N 2.02 4.70 0.12 1.61 5.75 -1.26 -4.30 116.55 125.19 1xkx n ASP 638 Ca 0.00 -2.67 0.00 0.00 -0.01 0.00 0.00 54.79 52.11 1xkx n ASP 638 Cb 0.00 -0.62 0.03 0.00 -1.03 0.00 0.00 41.12 39.49 1xkx n ASP 638 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1xkx h ARG 639 N 3.32 0.00 -2.75 0.11 3.08 -1.77 -3.43 114.38 112.94 1xkx h ARG 639 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1xkx h ARG 639 Cb 1.61 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 31.37 1xkx h ARG 639 CO 0.36 0.63 -0.41 -1.17 -1.07 0.00 0.00 179.97 178.31 1xkx s LEU 640 N -6.64 -0.14 -0.02 3.04 2.96 -1.26 -1.34 118.68 115.28 1xkx s LEU 640 Ca 0.03 0.77 0.03 0.00 -0.22 0.00 0.00 54.13 54.73 1xkx s LEU 640 Cb 0.09 1.07 -0.00 0.00 0.50 0.00 0.00 46.19 47.84 1xkx s LEU 640 CO 0.76 -0.21 -0.11 -0.13 -1.32 0.00 0.00 176.35 175.35 1xkx s ARG 641 N 1.85 0.98 -0.23 1.98 1.81 -0.88 -4.65 118.95 119.80 1xkx s ARG 641 Ca -0.06 -0.38 0.02 0.00 -1.72 0.00 0.00 55.73 53.59 1xkx s ARG 641 Cb -0.10 -0.93 0.05 0.00 -0.45 0.00 0.00 34.95 33.51 1xkx s ARG 641 CO -0.11 0.20 -0.13 0.08 -0.68 0.00 0.00 175.30 174.66 1xkx s VAL 642 N -0.10 2.07 -0.06 3.52 1.01 -1.26 -0.42 120.40 125.17 1xkx s VAL 642 Ca 0.01 -1.36 0.05 0.00 0.00 0.00 0.00 61.98 60.69 1xkx s VAL 642 Cb -0.06 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 1xkx s VAL 642 CO -0.00 0.15 -0.23 -0.63 0.00 0.00 0.00 175.10 174.40 1xkx s ILE 643 N 1.19 1.86 -0.34 2.22 1.09 -0.14 -4.54 121.20 122.54 1xkx s ILE 643 Ca -0.04 -0.96 -0.14 0.00 -1.10 0.00 0.00 60.65 58.42 1xkx s ILE 643 Cb -0.18 -1.58 -0.01 0.00 -1.06 0.00 0.00 42.46 39.63 1xkx s ILE 643 CO -0.08 0.52 0.27 0.12 -0.10 0.00 0.00 174.94 175.68 1xkx s PHE 644 N -0.07 3.22 -0.45 3.97 2.19 -1.26 -1.54 117.98 124.04 1xkx s PHE 644 Ca -0.05 -0.18 -0.28 0.00 0.33 0.00 0.00 56.93 56.75 1xkx s PHE 644 Cb -0.13 -2.53 0.01 0.00 -1.31 0.00 0.00 43.02 39.05 1xkx s PHE 644 CO 0.04 -0.39 1.46 -0.51 1.83 0.00 0.00 175.22 177.65 1xkx s LEU 645 N 1.80 3.52 0.37 6.12 1.02 0.30 -4.96 118.68 126.85 1xkx s LEU 645 Ca 0.07 0.70 -0.27 0.00 0.02 0.00 0.00 54.13 54.66 1xkx s LEU 645 Cb -0.17 -3.37 -0.09 0.00 0.02 0.00 0.00 46.19 42.58 1xkx s LEU 645 CO 0.11 -1.57 1.22 -0.70 0.02 0.00 0.00 176.35 175.43 1xkx s GLU 646 N 5.23 4.17 -1.38 1.70 2.12 -1.26 -4.01 118.70 125.27 1xkx s GLU 646 Ca 0.61 2.00 -0.02 0.00 0.36 0.00 0.00 54.97 57.91 1xkx s GLU 646 Cb -0.13 -2.84 0.01 0.00 0.26 0.00 0.00 34.13 31.43 1xkx s GLU 646 CO 0.30 -0.27 0.62 -1.71 -0.54 0.00 0.00 175.26 173.66 1xkx n ASN 647 N 0.38 -1.25 -4.69 -1.70 5.15 -1.25 -4.88 115.26 107.02 1xkx n ASN 647 Ca 0.03 -0.89 -0.44 0.00 -0.60 0.00 0.00 54.58 52.67 1xkx n ASN 647 Cb 0.44 -3.62 -0.04 0.00 -0.53 0.00 0.00 39.78 36.04 1xkx n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xkx n TYR 648 N -4.36 2.51 -3.87 1.20 9.36 -1.26 -4.87 117.16 115.87 1xkx n TYR 648 Ca -0.26 0.12 -0.10 0.00 3.32 0.00 0.00 57.90 60.98 1xkx n TYR 648 Cb 0.66 -2.62 0.01 0.00 -0.63 0.00 0.00 39.34 36.76 1xkx n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 1xkx s ARG 649 N 1.33 2.21 0.17 2.98 1.70 -1.26 -4.71 118.95 121.37 1xkx s ARG 649 Ca 0.78 -1.56 -0.15 0.00 -0.47 0.00 0.00 55.73 54.33 1xkx s ARG 649 Cb -0.59 0.59 0.10 0.00 -0.57 0.00 0.00 34.95 34.48 1xkx s ARG 649 CO 0.36 -1.01 1.74 0.28 -1.08 0.00 0.00 175.30 175.59 1xkx h VAL 650 N 2.02 0.85 -0.37 4.99 2.07 -1.97 -0.35 116.25 123.49 1xkx h VAL 650 Ca -0.32 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1xkx h VAL 650 Cb 1.25 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1xkx h VAL 650 CO 0.41 0.05 0.18 0.77 0.02 0.00 0.00 177.57 179.01 1xkx h SER 651 N 0.29 0.45 0.33 0.57 4.64 -1.97 -1.78 113.55 116.08 1xkx h SER 651 Ca 0.19 -0.03 -0.22 0.00 -0.47 0.00 0.00 61.79 61.26 1xkx h SER 651 Cb 0.19 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1xkx h SER 651 CO -0.21 0.39 -0.90 0.25 -0.87 0.00 0.00 176.83 175.49 1xkx h LEU 652 N 0.52 0.52 -1.14 5.97 5.85 -1.71 -3.12 115.31 122.19 1xkx h LEU 652 Ca 0.13 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1xkx h LEU 652 Cb 0.05 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1xkx h LEU 652 CO -0.02 1.19 0.54 0.00 -0.34 0.00 0.00 178.44 179.81 1xkx h ALA 653 N 0.78 1.37 0.00 1.25 0.00 -0.41 -0.37 119.26 121.88 1xkx h ALA 653 Ca -0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1xkx h ALA 653 Cb 1.53 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xkx h ALA 653 CO 0.16 0.57 -0.04 0.93 0.00 0.00 0.00 179.25 180.87 1xkx h GLU 654 N 1.15 0.00 0.03 0.00 5.08 -1.28 -1.72 114.58 117.84 1xkx h GLU 654 Ca 0.31 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.36 1xkx h GLU 654 Cb -0.10 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1xkx h GLU 654 CO -0.06 0.04 -1.70 1.63 -1.00 0.00 0.00 179.01 177.92 1xkx n LYS 655 N -3.32 0.62 0.08 2.33 5.02 -0.31 -4.47 118.16 118.12 1xkx n LYS 655 Ca -0.02 0.43 -0.14 0.00 -2.02 0.00 0.00 58.31 56.56 1xkx n LYS 655 Cb 0.19 -1.69 -0.08 0.00 -0.02 0.00 0.00 35.03 33.43 1xkx n LYS 655 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1xkx h VAL 656 N -0.70 1.44 -0.35 -0.18 3.04 -1.09 -3.33 116.25 115.09 1xkx h VAL 656 Ca -0.44 -2.69 0.01 0.00 -1.01 0.00 0.00 66.70 62.57 1xkx h VAL 656 Cb 1.56 2.63 -0.02 0.00 -2.01 0.00 0.00 31.29 33.45 1xkx h VAL 656 CO -0.17 0.79 0.22 0.40 -1.01 0.00 0.00 177.57 177.81 1xkx h ILE 657 N 0.16 1.07 0.00 3.17 2.04 -1.55 -1.21 117.51 121.20 1xkx h ILE 657 Ca -0.10 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1xkx h ILE 657 Cb 1.73 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1xkx h ILE 657 CO 0.18 0.08 -0.01 -0.65 0.00 0.00 0.00 178.15 177.75 1xkx h PRO 658 N 0.45 0.00 -0.01 2.37 0.11 -1.78 -2.09 132.00 131.05 1xkx h PRO 658 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1xkx h PRO 658 Cb -0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1xkx h PRO 658 CO -0.04 0.01 -0.30 0.00 -0.21 0.00 0.00 178.00 177.45 1xkx n ALA 659 N -2.11 3.19 -1.84 -0.75 0.00 -0.51 -4.76 120.51 113.73 1xkx n ALA 659 Ca -0.02 -0.49 -0.36 0.00 0.00 0.00 0.00 53.44 52.58 1xkx n ALA 659 Cb 0.12 -1.03 -0.07 0.00 0.00 0.00 0.00 19.45 18.48 1xkx n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xkx s ALA 660 N -2.46 3.19 -0.22 0.00 0.00 -0.79 -4.61 121.76 116.88 1xkx s ALA 660 Ca 0.23 0.43 -0.02 0.00 0.00 0.00 0.00 51.96 52.60 1xkx s ALA 660 Cb 0.19 -3.12 -0.13 0.00 0.00 0.00 0.00 23.12 20.06 1xkx s ALA 660 CO 0.52 0.19 -0.22 -0.25 0.00 0.00 0.00 175.76 176.00 1xkx n ASP 661 N 0.23 2.12 -4.12 0.00 8.00 -0.57 -4.16 116.55 118.05 1xkx n ASP 661 Ca 0.03 -0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.22 1xkx n ASP 661 Cb 0.51 -0.44 -0.17 0.00 -0.02 0.00 0.00 41.12 41.01 1xkx n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1xkx s LEU 662 N -6.55 1.92 -0.26 0.64 0.20 -0.41 -0.26 118.68 113.96 1xkx s LEU 662 Ca -0.30 -0.51 -0.10 0.00 0.69 0.00 0.00 54.13 53.90 1xkx s LEU 662 Cb 0.09 -1.27 -0.05 0.00 -0.43 0.00 0.00 46.19 44.53 1xkx s LEU 662 CO 0.47 0.05 0.17 -0.55 -0.29 0.00 0.00 176.35 176.21 1xkx s SER 663 N 0.86 5.97 -0.43 3.68 0.15 0.55 -1.60 113.70 122.89 1xkx s SER 663 Ca -0.08 0.01 -0.19 0.00 0.70 0.00 0.00 55.95 56.39 1xkx s SER 663 Cb -0.15 -2.10 0.02 0.00 -1.71 0.00 0.00 66.02 62.08 1xkx s SER 663 CO -0.01 -0.01 0.56 -1.61 1.20 0.00 0.00 173.24 173.37 1xkx s GLU 664 N 1.51 3.23 -0.55 5.44 0.41 -0.91 -1.39 118.70 126.43 1xkx s GLU 664 Ca 0.07 -0.51 0.06 0.00 -0.41 0.00 0.00 54.97 54.18 1xkx s GLU 664 Cb -0.15 -3.95 0.20 0.00 -1.78 0.00 0.00 34.13 28.45 1xkx s GLU 664 CO 0.08 -0.93 0.52 1.04 -0.49 0.00 0.00 175.26 175.48 1xkx n GLN 665 N 5.98 1.34 -1.44 1.61 1.13 -0.77 -4.79 117.38 120.44 1xkx n GLN 665 Ca -0.04 -3.94 -0.19 0.00 -1.94 0.00 0.00 57.00 50.89 1xkx n GLN 665 Cb 0.48 -1.90 0.10 0.00 0.11 0.00 0.00 30.24 29.02 1xkx n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1xkx n ILE 666 N 1.81 2.77 -1.86 5.09 -5.35 -1.26 -2.30 119.36 118.26 1xkx n ILE 666 Ca 0.25 -3.44 -0.34 0.00 -0.27 0.00 0.00 62.75 58.95 1xkx n ILE 666 Cb 0.43 -0.85 0.04 0.00 -1.74 0.00 0.00 39.64 37.53 1xkx n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1xkx s SER 667 N -2.86 5.12 0.22 7.28 1.04 -1.26 -4.60 113.70 118.64 1xkx s SER 667 Ca 0.52 2.16 -0.31 0.00 0.48 0.00 0.00 55.95 58.80 1xkx s SER 667 Cb 0.43 -2.57 -0.10 0.00 0.10 0.00 0.00 66.02 63.88 1xkx s SER 667 CO 0.01 -1.63 1.51 -0.89 0.98 0.00 0.00 173.24 173.23 1xkx s THR 668 N -2.04 2.57 -0.00 2.02 2.01 -1.14 -4.67 115.64 114.39 1xkx s THR 668 Ca 0.71 0.45 -0.38 0.00 0.31 0.00 0.00 61.69 62.77 1xkx s THR 668 Cb -0.24 -3.28 -0.17 0.00 0.01 0.00 0.00 72.50 68.81 1xkx s THR 668 CO 0.37 0.06 1.37 0.00 -0.69 0.00 0.00 174.62 175.72 1xkx n ALA 669 N 3.02 -1.30 -0.28 7.40 0.00 -1.26 -1.88 120.51 126.21 1xkx n ALA 669 Ca 0.10 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1xkx n ALA 669 Cb 0.39 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1xkx n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xkx n GLY 670 N 2.66 0.68 0.06 0.00 0.00 -1.26 -4.71 105.19 102.62 1xkx n GLY 670 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 1xkx n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xkx n THR 671 N -2.05 0.81 -2.89 2.61 -2.24 -0.79 -4.86 114.28 104.87 1xkx n THR 671 Ca 0.00 -0.42 -0.43 0.00 -2.27 0.00 0.00 64.05 60.93 1xkx n THR 671 Cb 0.00 -0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 67.37 1xkx n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1xkx s GLU 672 N -2.28 3.19 0.26 -0.78 2.56 -1.26 -4.76 118.70 115.62 1xkx s GLU 672 Ca -0.11 -0.65 -0.09 0.00 0.00 0.00 0.00 54.97 54.12 1xkx s GLU 672 Cb 0.04 -4.15 0.40 0.00 2.00 0.00 0.00 34.13 32.41 1xkx s GLU 672 CO 0.42 -1.63 1.59 0.00 -0.56 0.00 0.00 175.26 175.07 1xkx h ALA 673 N 9.41 0.61 0.00 6.30 0.00 -1.89 -2.92 119.26 130.77 1xkx h ALA 673 Ca -0.28 0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xkx h ALA 673 Cb 1.07 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1xkx h ALA 673 CO 1.12 -0.41 0.00 0.45 0.00 0.00 0.00 179.25 180.42 1xkx n SER 674 N -5.54 -1.00 0.00 0.00 2.88 -1.26 -4.21 113.62 104.49 1xkx n SER 674 Ca 0.13 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.23 1xkx n SER 674 Cb 0.45 1.12 0.00 0.00 -0.75 0.00 0.00 64.21 65.03 1xkx n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xkx n GLY 675 N 0.87 -0.40 0.00 0.46 0.00 -1.26 -0.96 105.19 103.89 1xkx n GLY 675 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1xkx n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xkx n THR 676 N 0.28 0.00 -0.25 2.61 -2.24 -1.26 -4.72 114.28 108.70 1xkx n THR 676 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 1xkx n THR 676 Cb 0.00 -0.03 0.24 0.00 -2.10 0.00 0.00 70.33 68.44 1xkx n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1xkx h GLY 677 N 0.00 1.14 0.37 3.38 0.00 -1.95 -1.23 103.07 104.79 1xkx h GLY 677 Ca 0.00 -0.41 0.13 0.00 0.00 0.00 0.00 47.33 47.05 1xkx h GLY 677 CO 0.00 0.37 0.52 3.45 0.00 0.00 0.00 176.54 180.89 1xkx h ASN 678 N 1.04 0.72 -0.10 0.19 -0.00 -1.94 -1.23 115.58 114.26 1xkx h ASN 678 Ca 0.31 0.07 -0.12 0.00 -0.00 0.00 0.00 56.30 56.56 1xkx h ASN 678 Cb -0.03 -0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 38.21 1xkx h ASN 678 CO -0.08 0.36 -0.32 0.24 -0.00 0.00 0.00 177.43 177.62 1xkx h MET 679 N 0.80 0.58 -0.49 4.14 2.86 -1.54 -2.41 114.93 118.86 1xkx h MET 679 Ca 0.47 -0.26 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 1xkx h MET 679 Cb 0.55 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 1xkx h MET 679 CO -0.30 0.83 0.20 0.87 1.06 0.00 0.00 176.91 179.57 1xkx h LYS 680 N 0.50 0.73 -0.62 1.72 1.57 -0.83 -1.96 116.57 117.67 1xkx h LYS 680 Ca 0.06 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1xkx h LYS 680 Cb 0.80 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1xkx h LYS 680 CO 0.07 0.64 0.11 0.74 -0.57 0.00 0.00 179.45 180.43 1xkx h PHE 681 N 0.65 1.08 -0.70 -1.35 0.04 -1.29 -2.60 116.94 112.78 1xkx h PHE 681 Ca 0.16 -0.15 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 1xkx h PHE 681 Cb 0.18 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.00 1xkx h PHE 681 CO 0.00 0.93 0.22 1.98 -0.60 0.00 0.00 178.31 180.84 1xkx h MET 682 N 0.93 1.07 0.00 1.51 4.05 -1.25 -2.09 114.93 119.15 1xkx h MET 682 Ca 0.19 -0.22 -0.03 0.00 -0.28 0.00 0.00 59.70 59.36 1xkx h MET 682 Cb 0.42 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.06 1xkx h MET 682 CO 0.01 0.91 -0.16 1.25 0.23 0.00 0.00 176.91 179.15 1xkx h LEU 683 N 1.03 0.00 -3.26 3.39 5.85 -1.24 -3.24 115.31 117.83 1xkx h LEU 683 Ca 0.23 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1xkx h LEU 683 Cb 0.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1xkx h LEU 683 CO -0.01 0.16 0.00 0.59 -0.34 0.00 0.00 178.44 178.84 1xkx n ASN 684 N -3.26 4.89 0.00 1.25 3.02 -0.99 -4.92 115.26 115.25 1xkx n ASN 684 Ca 0.01 -2.62 0.00 0.00 -0.03 0.00 0.00 54.58 51.94 1xkx n ASN 684 Cb 0.43 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 1xkx n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xkx n GLY 685 N 0.81 0.73 3.61 7.41 0.00 -1.16 -4.79 105.19 111.80 1xkx n GLY 685 Ca 0.25 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 1xkx n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkx s ALA 686 N -2.00 3.06 0.42 4.61 0.00 -0.82 -4.79 121.76 122.24 1xkx s ALA 686 Ca 0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 50.77 1xkx s ALA 686 Cb 0.00 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 1xkx s ALA 686 CO 0.00 0.65 0.69 -0.51 0.00 0.00 0.00 175.76 176.59 1xkx s LEU 687 N -2.02 3.80 -0.11 0.00 1.43 0.64 -4.39 118.68 118.03 1xkx s LEU 687 Ca 0.21 0.77 0.02 0.00 -1.03 0.00 0.00 54.13 54.10 1xkx s LEU 687 Cb -0.11 -3.68 -0.01 0.00 0.03 0.00 0.00 46.19 42.42 1xkx s LEU 687 CO 0.13 -0.45 -0.16 -0.89 0.23 0.00 0.00 176.35 175.21 1xkx s THR 688 N -2.53 2.81 -0.23 5.49 2.01 -1.26 -0.33 115.64 121.59 1xkx s THR 688 Ca 0.45 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.65 1xkx s THR 688 Cb -0.10 -2.14 -0.00 0.00 0.01 0.00 0.00 72.50 70.26 1xkx s THR 688 CO 0.40 0.54 -0.03 -0.51 -0.69 0.00 0.00 174.62 174.33 1xkx s ILE 689 N 0.17 3.38 0.22 1.82 2.07 -0.49 -1.38 121.20 126.98 1xkx s ILE 689 Ca -0.09 -0.58 -0.22 0.00 -1.41 0.00 0.00 60.65 58.35 1xkx s ILE 689 Cb -0.15 -2.58 0.05 0.00 0.13 0.00 0.00 42.46 39.91 1xkx s ILE 689 CO 0.05 0.36 0.89 -0.83 -1.91 0.00 0.00 174.94 173.51 1xkx s GLY 690 N 1.46 -0.06 0.53 1.50 0.00 -0.28 -1.85 107.32 108.62 1xkx s GLY 690 Ca 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 44.72 44.56 1xkx s GLY 690 CO -0.03 0.32 0.80 -0.51 0.00 0.00 0.00 173.10 173.68 1xkx s THR 691 N -3.13 3.87 -1.38 0.90 -4.23 -0.97 -2.22 115.64 108.47 1xkx s THR 691 Ca 0.14 -0.19 -0.14 0.00 -1.18 0.00 0.00 61.69 60.31 1xkx s THR 691 Cb -0.03 -3.49 0.07 0.00 1.34 0.00 0.00 72.50 70.40 1xkx s THR 691 CO 0.05 -0.43 2.02 0.23 -0.54 0.00 0.00 174.62 175.95 1xkx n MET 692 N -2.35 3.08 -4.21 3.99 2.81 -1.26 -4.67 117.12 114.50 1xkx n MET 692 Ca 0.03 -2.97 -0.20 0.00 -1.81 0.00 0.00 57.70 52.76 1xkx n MET 692 Cb 0.57 -3.26 -0.12 0.00 -0.71 0.00 0.00 33.22 29.70 1xkx n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1xkx s ASP 693 N 3.03 1.86 0.45 7.83 3.68 -1.26 -4.64 116.67 127.62 1xkx s ASP 693 Ca 0.47 -0.62 0.00 0.00 2.13 0.00 0.00 52.55 54.53 1xkx s ASP 693 Cb 0.10 -0.07 0.00 0.00 -1.45 0.00 0.00 42.92 41.50 1xkx s ASP 693 CO -0.03 -0.04 0.00 0.61 0.13 0.00 0.00 175.17 175.84 1xkx n GLY 694 N 1.29 2.08 0.08 2.66 0.00 -1.10 -1.36 105.19 108.84 1xkx n GLY 694 Ca -0.21 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 45.64 1xkx n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkx n ALA 695 N 6.94 1.69 -0.31 4.61 0.00 -0.14 -2.99 120.51 130.32 1xkx n ALA 695 Ca 0.00 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.58 1xkx n ALA 695 Cb 0.00 -1.33 0.33 0.00 0.00 0.00 0.00 19.45 18.45 1xkx n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1xkx h ASN 696 N 0.00 0.76 -0.58 0.00 4.21 -1.42 0.41 115.58 118.95 1xkx h ASN 696 Ca 0.00 0.05 0.02 0.00 1.21 0.00 0.00 56.30 57.58 1xkx h ASN 696 Cb 0.33 -0.10 -0.03 0.00 -1.12 0.00 0.00 38.32 37.40 1xkx h ASN 696 CO 0.00 0.37 0.37 0.58 -1.29 0.00 0.00 177.43 177.46 1xkx h VAL 697 N 0.79 1.11 -0.01 2.81 2.07 -1.62 -0.94 116.25 120.46 1xkx h VAL 697 Ca 0.49 -0.26 -0.16 0.00 0.82 0.00 0.00 66.70 67.58 1xkx h VAL 697 Cb 0.69 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1xkx h VAL 697 CO -0.25 0.14 -0.76 -0.33 0.02 0.00 0.00 177.57 176.39 1xkx h GLU 698 N 0.74 0.08 -0.29 1.57 5.08 -1.37 -2.00 114.58 118.40 1xkx h GLU 698 Ca 0.22 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1xkx h GLU 698 Cb -0.03 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1xkx h GLU 698 CO -0.07 0.80 0.02 0.52 -1.00 0.00 0.00 179.01 179.27 1xkx h MET 699 N 0.05 0.49 -0.58 2.33 2.86 -0.63 -0.11 114.93 119.34 1xkx h MET 699 Ca -0.02 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.42 1xkx h MET 699 Cb 1.33 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.92 1xkx h MET 699 CO 0.11 0.62 0.10 0.00 1.06 0.00 0.00 176.91 178.80 1xkx h ALA 700 N 0.85 1.10 -0.45 6.32 0.00 -1.17 -1.02 119.26 124.88 1xkx h ALA 700 Ca 0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1xkx h ALA 700 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1xkx h ALA 700 CO 0.01 0.59 0.19 1.49 0.00 0.00 0.00 179.25 181.53 1xkx h GLU 701 N 0.87 0.67 -0.25 0.00 4.81 -1.12 0.56 114.58 120.13 1xkx h GLU 701 Ca 0.18 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1xkx h GLU 701 Cb 0.37 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1xkx h GLU 701 CO 0.01 0.60 -0.06 0.93 -0.73 0.00 0.00 179.01 179.75 1xkx h GLU 702 N 0.59 0.48 0.00 1.92 4.39 -0.67 -3.27 114.58 118.03 1xkx h GLU 702 Ca 0.15 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 1xkx h GLU 702 Cb 0.17 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1xkx h GLU 702 CO -0.01 0.71 -0.57 0.00 -1.16 0.00 0.00 179.01 177.98 1xkx h ALA 703 N 0.76 0.75 0.00 3.43 0.00 -1.15 -3.47 119.26 119.58 1xkx h ALA 703 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xkx h ALA 703 Cb 0.53 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1xkx h ALA 703 CO 0.03 0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1xkx n GLY 704 N 1.19 2.05 0.30 0.00 0.00 0.20 -4.59 105.19 104.34 1xkx n GLY 704 Ca 0.01 -1.43 0.14 0.00 0.00 0.00 0.00 46.02 44.73 1xkx n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xkx h GLU 705 N 0.00 0.00 0.00 1.61 5.08 -1.84 -0.43 114.58 119.00 1xkx h GLU 705 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xkx h GLU 705 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xkx h GLU 705 CO 0.00 0.00 -0.01 0.93 -1.00 0.00 0.00 179.01 178.93 1xkx h GLU 706 N 0.00 0.00 -0.58 2.33 3.07 -1.90 -2.36 114.58 115.14 1xkx h GLU 706 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1xkx h GLU 706 Cb 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1xkx h GLU 706 CO -0.00 0.01 0.00 0.09 -1.40 0.00 0.00 179.01 177.71 1xkx n ASN 707 N -3.11 4.84 -4.14 1.42 3.02 -0.17 -4.91 115.26 112.21 1xkx n ASN 707 Ca -0.00 -2.60 -0.15 0.00 -0.03 0.00 0.00 54.58 51.80 1xkx n ASN 707 Cb 0.26 -0.58 -0.11 0.00 -0.61 0.00 0.00 39.78 38.74 1xkx n ASN 707 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1xkx s PHE 708 N -2.12 0.98 -0.93 3.10 5.36 -0.89 -4.80 117.98 118.68 1xkx s PHE 708 Ca 0.50 -0.54 -0.06 0.00 -0.96 0.00 0.00 56.93 55.87 1xkx s PHE 708 Cb 0.34 -0.56 0.23 0.00 -0.34 0.00 0.00 43.02 42.70 1xkx s PHE 708 CO 0.21 -0.01 0.86 -0.06 -1.46 0.00 0.00 175.22 174.76 1xkx s PHE 709 N -1.68 3.96 0.14 10.12 0.08 -0.48 -4.94 117.98 125.18 1xkx s PHE 709 Ca -0.02 -2.72 -0.16 0.00 0.12 0.00 0.00 56.93 54.15 1xkx s PHE 709 Cb -0.08 -3.54 -0.07 0.00 -0.57 0.00 0.00 43.02 38.76 1xkx s PHE 709 CO 0.01 -0.86 0.57 0.42 -0.10 0.00 0.00 175.22 175.25 1xkx s ILE 710 N -0.95 4.81 0.30 0.64 1.09 -1.26 -1.13 121.20 124.70 1xkx s ILE 710 Ca 0.26 0.94 -0.18 0.00 -1.10 0.00 0.00 60.65 60.58 1xkx s ILE 710 Cb -0.10 -3.77 0.02 0.00 -1.06 0.00 0.00 42.46 37.55 1xkx s ILE 710 CO -0.09 0.29 0.68 0.72 -0.10 0.00 0.00 174.94 176.44 1xkx s PHE 711 N -1.41 0.03 0.01 3.97 -0.71 -0.94 -4.94 117.98 113.99 1xkx s PHE 711 Ca 0.37 -0.50 0.00 0.00 -1.04 0.00 0.00 56.93 55.75 1xkx s PHE 711 Cb -0.16 0.60 0.00 0.00 -1.21 0.00 0.00 43.02 42.25 1xkx s PHE 711 CO 0.19 -1.25 0.00 0.41 -1.34 0.00 0.00 175.22 173.23 1xkx n GLY 712 N -0.46 -1.53 3.75 1.99 0.00 -1.26 -4.24 105.19 103.44 1xkx n GLY 712 Ca -0.04 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.09 1xkx n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xkx s MET 713 N -1.39 3.18 0.52 1.61 -1.94 -1.26 -4.89 119.30 115.13 1xkx s MET 713 Ca 0.00 2.03 0.05 0.00 -1.71 0.00 0.00 55.69 56.06 1xkx s MET 713 Cb 0.00 -2.18 0.04 0.00 2.01 0.00 0.00 34.83 34.70 1xkx s MET 713 CO 0.00 -1.09 0.72 1.03 -0.01 0.00 0.00 175.02 175.67 1xkx s ARG 714 N -2.99 2.54 0.27 2.03 1.81 -1.26 -4.49 118.95 116.86 1xkx s ARG 714 Ca 0.72 -1.08 0.01 0.00 -1.72 0.00 0.00 55.73 53.65 1xkx s ARG 714 Cb -0.35 -2.59 0.61 0.00 -0.45 0.00 0.00 34.95 32.16 1xkx s ARG 714 CO 0.41 -0.63 1.73 0.28 -0.68 0.00 0.00 175.30 176.41 1xkx h VAL 715 N 0.24 0.61 -0.70 3.52 2.07 -1.84 -0.61 116.25 119.53 1xkx h VAL 715 Ca -0.39 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1xkx h VAL 715 Cb 1.29 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1xkx h VAL 715 CO 0.47 0.09 0.39 -0.33 0.02 0.00 0.00 177.57 178.21 1xkx h GLU 716 N 0.51 0.97 -0.19 1.57 3.07 -1.96 -1.96 114.58 116.59 1xkx h GLU 716 Ca 0.50 -0.10 -0.12 0.00 -0.50 0.00 0.00 59.36 59.14 1xkx h GLU 716 Cb 0.83 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 1xkx h GLU 716 CO -0.44 0.70 -0.39 -0.44 -1.40 0.00 0.00 179.01 177.05 1xkx h ASP 717 N 0.98 0.44 -0.47 1.42 5.19 -1.49 -0.90 116.42 121.59 1xkx h ASP 717 Ca 0.25 -0.19 -0.07 0.00 -0.62 0.00 0.00 57.03 56.40 1xkx h ASP 717 Cb 0.01 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.38 1xkx h ASP 717 CO -0.04 0.79 0.02 0.58 -3.12 0.00 0.00 179.24 177.47 1xkx h VAL 718 N 0.35 1.26 -0.53 -1.35 2.07 -0.80 -1.31 116.25 115.94 1xkx h VAL 718 Ca 0.03 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 1xkx h VAL 718 Cb 0.84 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1xkx h VAL 718 CO 0.07 0.36 0.17 0.44 0.02 0.00 0.00 177.57 178.62 1xkx h ASP 719 N 0.66 0.78 -0.43 0.57 3.32 -1.12 -1.08 116.42 119.12 1xkx h ASP 719 Ca 0.13 -0.21 0.04 0.00 0.02 0.00 0.00 57.03 57.02 1xkx h ASP 719 Cb 0.48 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 1xkx h ASP 719 CO 0.02 0.78 0.20 0.03 -1.72 0.00 0.00 179.24 178.55 1xkx h ARG 720 N 0.74 0.39 -0.75 3.56 3.08 -0.98 -0.53 114.38 119.89 1xkx h ARG 720 Ca 0.17 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 1xkx h ARG 720 Cb 0.28 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1xkx h ARG 720 CO -0.01 0.26 0.34 -0.07 -1.07 0.00 0.00 179.97 179.43 1xkx h LEU 721 N 0.40 0.99 -0.65 3.04 3.38 -0.96 -2.28 115.31 119.24 1xkx h LEU 721 Ca 0.19 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 1xkx h LEU 721 Cb 0.12 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1xkx h LEU 721 CO -0.15 0.85 -0.11 0.44 0.09 0.00 0.00 178.44 179.56 1xkx h ASP 722 N 1.08 0.94 -0.48 -0.43 3.32 -0.43 0.58 116.42 121.00 1xkx h ASP 722 Ca 0.26 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 1xkx h ASP 722 Cb 0.14 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1xkx h ASP 722 CO -0.03 1.06 0.06 1.56 -1.72 0.00 0.00 179.24 180.17 1xkx h GLN 723 N 0.84 0.86 0.16 3.56 4.20 -0.84 -2.92 115.11 120.97 1xkx h GLN 723 Ca 0.13 -0.21 -0.29 0.00 0.06 0.00 0.00 58.65 58.34 1xkx h GLN 723 Cb 0.65 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.33 1xkx h GLN 723 CO 0.04 0.82 -1.29 -0.09 -0.67 0.00 0.00 178.83 177.64 1xkx h ARG 724 N 0.81 0.36 0.00 1.46 2.43 -1.22 -3.50 114.38 114.72 1xkx h ARG 724 Ca 0.17 -0.59 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1xkx h ARG 724 Cb 0.40 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1xkx h ARG 724 CO 0.01 1.28 0.00 0.41 -1.51 0.00 0.00 179.97 180.16 1xkx n GLY 725 N 1.55 2.35 3.64 2.80 0.00 0.20 -5.03 105.19 110.70 1xkx n GLY 725 Ca -0.11 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 1xkx n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xkx s TYR 726 N 0.00 3.16 -0.34 1.61 5.04 -1.21 -4.89 117.35 120.73 1xkx s TYR 726 Ca 0.00 1.23 0.04 0.00 -2.44 0.00 0.00 57.07 55.90 1xkx s TYR 726 Cb 0.00 -3.62 0.10 0.00 0.35 0.00 0.00 41.96 38.79 1xkx s TYR 726 CO 0.00 -0.76 0.05 1.21 -1.34 0.00 0.00 175.55 174.70 1xkx s ASN 727 N 1.61 4.76 0.44 4.32 3.84 -1.26 -4.97 114.94 123.67 1xkx s ASN 727 Ca 0.46 -2.13 0.10 0.00 0.21 0.00 0.00 52.86 51.49 1xkx s ASN 727 Cb -0.13 -1.62 0.97 0.00 -0.55 0.00 0.00 41.25 39.92 1xkx s ASN 727 CO 0.14 -0.37 2.07 0.00 -2.79 0.00 0.00 177.10 176.14 1xkx h ALA 728 N 7.62 1.81 -0.99 1.71 0.00 -1.87 -2.56 119.26 124.98 1xkx h ALA 728 Ca -0.05 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.02 1xkx h ALA 728 Cb 1.02 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 1xkx h ALA 728 CO 0.52 0.15 0.61 0.37 0.00 0.00 0.00 179.25 180.91 1xkx h GLN 729 N 0.42 0.74 -0.35 0.00 5.75 -1.92 -1.62 115.11 118.13 1xkx h GLN 729 Ca 0.14 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.66 1xkx h GLN 729 Cb 0.04 -0.17 -0.06 0.00 1.07 0.00 0.00 27.48 28.36 1xkx h GLN 729 CO -0.03 0.49 -0.01 1.49 -2.65 0.00 0.00 178.83 178.11 1xkx h GLU 730 N 0.76 0.08 -0.64 1.69 4.81 -1.88 0.88 114.58 120.28 1xkx h GLU 730 Ca 0.54 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.69 1xkx h GLU 730 Cb 0.85 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 1xkx h GLU 730 CO -0.32 0.05 0.09 1.88 -0.73 0.00 0.00 179.01 179.98 1xkx h TYR 731 N 0.08 1.13 -0.85 0.92 -1.99 -1.47 -1.89 116.97 112.90 1xkx h TYR 731 Ca 0.17 -0.16 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 1xkx h TYR 731 Cb 0.24 -0.31 -0.04 0.00 2.00 0.00 0.00 36.73 38.62 1xkx h TYR 731 CO -0.26 0.96 0.50 -0.92 -0.00 0.00 0.00 178.16 178.44 1xkx h TYR 732 N 0.99 1.13 -0.00 4.88 5.03 -0.89 -1.27 116.97 126.84 1xkx h TYR 732 Ca 0.19 -0.01 -0.16 0.00 2.58 0.00 0.00 58.73 61.34 1xkx h TYR 732 Cb 0.45 -0.37 -0.02 0.00 1.55 0.00 0.00 36.73 38.34 1xkx h TYR 732 CO 0.03 0.76 -0.74 -0.44 -1.32 0.00 0.00 178.16 176.45 1xkx h ASP 733 N 1.18 0.03 0.13 -2.11 3.32 -0.48 -3.32 116.42 115.17 1xkx h ASP 733 Ca 0.31 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1xkx h ASP 733 Cb -0.03 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1xkx h ASP 733 CO -0.06 0.76 -0.65 0.54 -1.72 0.00 0.00 179.24 178.11 1xkx n ARG 734 N -3.68 0.45 -3.91 3.56 1.74 -0.74 -4.79 116.66 109.29 1xkx n ARG 734 Ca -0.01 -0.34 -0.31 0.00 -0.77 0.00 0.00 57.85 56.42 1xkx n ARG 734 Cb 0.72 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 30.51 1xkx n ARG 734 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xkx s ILE 735 N -2.78 1.75 0.19 0.55 1.01 -0.51 -5.01 121.20 116.41 1xkx s ILE 735 Ca 0.14 -1.99 -0.13 0.00 0.00 0.00 0.00 60.65 58.67 1xkx s ILE 735 Cb 0.17 -2.31 0.14 0.00 0.01 0.00 0.00 42.46 40.48 1xkx s ILE 735 CO 0.70 -0.63 1.68 -0.65 0.00 0.00 0.00 174.94 176.04 1xkx h PRO 736 N 7.79 0.12 -0.64 2.79 0.11 -1.87 -0.47 132.00 139.83 1xkx h PRO 736 Ca -0.08 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1xkx h PRO 736 Cb 1.02 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 1xkx h PRO 736 CO 0.50 0.08 0.37 0.93 -0.21 0.00 0.00 178.00 179.67 1xkx h GLU 737 N 0.12 0.87 -0.23 1.05 5.08 -1.95 0.23 114.58 119.75 1xkx h GLU 737 Ca 0.27 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1xkx h GLU 737 Cb 0.41 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1xkx h GLU 737 CO -0.44 0.62 -0.18 1.25 -1.00 0.00 0.00 179.01 179.27 1xkx h LEU 738 N 0.89 0.56 -0.63 1.33 5.85 -1.71 -2.61 115.31 118.99 1xkx h LEU 738 Ca 0.23 -0.45 0.06 0.00 0.84 0.00 0.00 57.88 58.56 1xkx h LEU 738 Cb -0.01 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 1xkx h LEU 738 CO -0.04 0.89 0.34 -0.09 -0.34 0.00 0.00 178.44 179.20 1xkx h ARG 739 N 0.23 0.61 -0.67 1.25 2.43 -0.51 -1.84 114.38 115.89 1xkx h ARG 739 Ca 0.04 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1xkx h ARG 739 Cb 0.72 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 1xkx h ARG 739 CO 0.05 0.40 0.42 0.37 -1.51 0.00 0.00 179.97 179.70 1xkx h GLN 740 N 0.63 0.80 -0.22 0.20 4.15 -0.88 -1.21 115.11 118.59 1xkx h GLN 740 Ca 0.28 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.65 1xkx h GLN 740 Cb 0.18 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1xkx h GLN 740 CO -0.18 0.53 0.11 0.82 -1.93 0.00 0.00 178.83 178.18 1xkx h ILE 741 N 0.82 1.12 -0.87 2.39 2.04 -0.99 -0.41 117.51 121.61 1xkx h ILE 741 Ca 0.27 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1xkx h ILE 741 Cb 0.01 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 1xkx h ILE 741 CO -0.10 0.12 0.50 0.40 0.00 0.00 0.00 178.15 179.06 1xkx h ILE 742 N 0.23 1.25 -0.14 -0.67 5.03 -1.09 -1.22 117.51 120.90 1xkx h ILE 742 Ca 0.08 -0.58 -0.11 0.00 -0.12 0.00 0.00 64.86 64.13 1xkx h ILE 742 Cb 0.08 0.05 -0.01 0.00 -3.03 0.00 0.00 36.82 33.91 1xkx h ILE 742 CO -0.01 0.27 -0.40 -0.33 -0.68 0.00 0.00 178.15 176.99 1xkx h GLU 743 N 1.21 0.31 -0.54 2.37 5.08 -0.92 -0.66 114.58 121.44 1xkx h GLU 743 Ca 0.31 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 1xkx h GLU 743 Cb -0.01 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1xkx h GLU 743 CO -0.05 0.67 -0.06 1.96 -1.00 0.00 0.00 179.01 180.52 1xkx h GLN 744 N 0.26 0.99 -0.27 2.33 4.20 -0.34 -0.79 115.11 121.48 1xkx h GLN 744 Ca 0.02 -0.35 -0.05 0.00 0.06 0.00 0.00 58.65 58.34 1xkx h GLN 744 Cb 0.83 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 1xkx h GLN 744 CO 0.07 1.02 -0.01 -0.07 -0.67 0.00 0.00 178.83 179.17 1xkx h LEU 745 N 0.86 0.48 -0.67 1.46 3.38 -0.98 -0.99 115.31 118.86 1xkx h LEU 745 Ca 0.14 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 1xkx h LEU 745 Cb 0.62 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1xkx h LEU 745 CO 0.04 0.68 0.05 0.28 0.09 0.00 0.00 178.44 179.58 1xkx h SER 746 N 0.27 1.04 0.99 -0.43 0.02 -1.04 -3.10 113.55 111.30 1xkx h SER 746 Ca 0.08 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1xkx h SER 746 Cb 0.44 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1xkx h SER 746 CO 0.02 1.07 0.00 -1.54 -1.14 0.00 0.00 176.83 175.23 1xkx n SER 747 N -4.19 0.24 0.00 3.07 3.41 -0.31 -4.65 113.62 111.19 1xkx n SER 747 Ca 0.04 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 1xkx n SER 747 Cb 0.32 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 1xkx n SER 747 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xkx n GLY 748 N 1.05 0.85 0.36 5.00 0.00 -1.11 -4.83 105.19 106.52 1xkx n GLY 748 Ca 0.06 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1xkx n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xkx h PHE 749 N 0.00 0.60 -0.40 1.61 3.04 -1.43 -0.05 116.94 120.31 1xkx h PHE 749 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1xkx h PHE 749 Cb 0.00 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.32 1xkx h PHE 749 CO 0.00 0.27 0.00 1.19 -2.02 0.00 0.00 178.31 177.75 1xkx n PHE 750 N -4.49 0.52 -2.91 0.41 3.72 -1.26 -4.56 117.46 108.89 1xkx n PHE 750 Ca 0.13 -0.26 -0.14 0.00 -0.05 0.00 0.00 57.45 57.13 1xkx n PHE 750 Cb 0.40 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.95 1xkx n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1xkx n SER 751 N 1.47 -1.62 -0.13 4.37 3.41 -0.09 -4.80 113.62 116.22 1xkx n SER 751 Ca 0.20 -3.15 -0.09 0.00 -0.26 0.00 0.00 58.87 55.57 1xkx n SER 751 Cb 0.60 0.91 -0.03 0.00 -0.26 0.00 0.00 64.21 65.43 1xkx n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1xkx h PRO 752 N 3.80 -0.28 0.00 4.33 0.11 -1.63 -1.67 132.00 136.65 1xkx h PRO 752 Ca -0.06 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.03 1xkx h PRO 752 Cb 0.99 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1xkx h PRO 752 CO 0.36 -0.19 -0.22 0.87 -0.21 0.00 0.00 178.00 178.61 1xkx h LYS 753 N -0.29 0.00 -2.47 1.05 1.57 -1.96 -3.31 116.57 111.15 1xkx h LYS 753 Ca 0.15 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.34 1xkx h LYS 753 Cb 0.57 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.48 1xkx h LYS 753 CO -0.58 0.22 -0.78 1.04 -0.57 0.00 0.00 179.45 178.77 1xkx n GLN 754 N -4.06 1.37 -0.36 3.15 6.02 -0.71 -4.99 117.38 117.81 1xkx n GLN 754 Ca -0.02 -3.96 0.25 0.00 -0.01 0.00 0.00 57.00 53.27 1xkx n GLN 754 Cb 0.29 -1.91 0.51 0.00 1.02 0.00 0.00 30.24 30.15 1xkx n GLN 754 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1xkx h PRO 755 N 4.88 0.32 -0.58 -1.09 0.11 -1.44 -0.92 132.00 133.28 1xkx h PRO 755 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1xkx h PRO 755 Cb 0.79 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1xkx h PRO 755 CO 0.61 0.21 0.00 -0.40 -0.21 0.00 0.00 178.00 178.21 1xkx n ASP 756 N -4.81 5.34 -0.34 -2.05 3.85 -1.26 -3.07 116.55 114.21 1xkx n ASP 756 Ca 0.30 -2.80 0.12 0.00 -0.71 0.00 0.00 54.79 51.71 1xkx n ASP 756 Cb 1.01 -0.64 0.33 0.00 -1.35 0.00 0.00 41.12 40.47 1xkx n ASP 756 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1xkx h LEU 757 N 3.88 0.77 -3.75 -2.12 5.85 -1.48 -2.27 115.31 116.17 1xkx h LEU 757 Ca 0.00 0.07 -0.30 0.00 0.84 0.00 0.00 57.88 58.49 1xkx h LEU 757 Cb 1.79 -0.07 -0.18 0.00 0.37 0.00 0.00 40.66 42.57 1xkx h LEU 757 CO 0.40 0.32 0.34 0.49 -0.34 0.00 0.00 178.44 179.66 1xkx n PHE 758 N -4.68 2.42 -0.17 1.25 3.01 -1.26 -4.58 117.46 113.45 1xkx n PHE 758 Ca 0.21 -1.45 -0.01 0.00 1.01 0.00 0.00 57.45 57.21 1xkx n PHE 758 Cb 0.52 -0.73 0.22 0.00 -0.01 0.00 0.00 39.48 39.48 1xkx n PHE 758 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1xkx h LYS 759 N 1.87 0.91 -0.54 -1.08 2.10 -1.73 -2.09 116.57 116.01 1xkx h LYS 759 Ca 0.37 -0.12 -0.07 0.00 -2.00 0.00 0.00 60.65 58.84 1xkx h LYS 759 Cb 2.39 -0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 33.52 1xkx h LYS 759 CO 0.79 0.70 0.06 -0.44 -2.00 0.00 0.00 179.45 178.57 1xkx h ASP 760 N 0.91 0.83 -0.15 7.07 3.32 -1.84 0.25 116.42 126.81 1xkx h ASP 760 Ca 0.23 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1xkx h ASP 760 Cb 0.08 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 1xkx h ASP 760 CO -0.03 0.85 -0.02 0.40 -1.72 0.00 0.00 179.24 178.72 1xkx h ILE 761 N 0.82 1.28 -0.53 0.35 2.04 -1.77 -1.10 117.51 118.60 1xkx h ILE 761 Ca 0.17 -0.94 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 1xkx h ILE 761 Cb 0.40 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1xkx h ILE 761 CO 0.01 0.28 0.20 0.58 0.00 0.00 0.00 178.15 179.22 1xkx h VAL 762 N -0.01 1.22 -0.52 1.67 2.07 -1.24 -0.60 116.25 118.85 1xkx h VAL 762 Ca 0.04 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1xkx h VAL 762 Cb 0.44 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1xkx h VAL 762 CO 0.01 0.26 0.30 -1.13 0.02 0.00 0.00 177.57 177.04 1xkx h ASN 763 N 0.72 0.64 -0.06 0.57 -1.24 -0.91 0.07 115.58 115.38 1xkx h ASN 763 Ca 0.18 -0.07 -0.00 0.00 0.71 0.00 0.00 56.30 57.11 1xkx h ASN 763 Cb 0.21 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.10 1xkx h ASN 763 CO -0.01 0.53 0.03 -0.03 -1.29 0.00 0.00 177.43 176.65 1xkx h MET 764 N 0.70 0.08 -0.79 6.67 4.05 -0.96 0.17 114.93 124.85 1xkx h MET 764 Ca 0.19 -0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.65 1xkx h MET 764 Cb 0.01 -0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 30.74 1xkx h MET 764 CO -0.03 0.17 0.48 -0.07 0.23 0.00 0.00 176.91 177.68 1xkx h LEU 765 N -0.03 0.75 0.06 3.39 4.07 -0.85 -0.94 115.31 121.76 1xkx h LEU 765 Ca 0.02 0.02 -0.25 0.00 0.08 0.00 0.00 57.88 57.75 1xkx h LEU 765 Cb 0.11 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 1xkx h LEU 765 CO -0.00 0.48 -1.18 0.24 -1.08 0.00 0.00 178.44 176.90 1xkx h MET 766 N 0.88 0.13 0.00 1.13 2.86 -0.80 -3.41 114.93 115.72 1xkx h MET 766 Ca 0.35 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1xkx h MET 766 Cb 0.16 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 1xkx h MET 766 CO -0.17 1.07 -1.04 0.72 1.06 0.00 0.00 176.91 178.55 1xkx n HIS 767 N -3.42 0.00 -2.89 -0.22 8.25 0.58 -4.39 115.22 113.13 1xkx n HIS 767 Ca -0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.28 1xkx n HIS 767 Cb 0.99 -0.03 0.04 0.00 1.12 0.00 0.00 29.99 32.11 1xkx n HIS 767 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1xkx n HIS 768 N -1.71 -0.96 -3.03 4.41 -0.00 -0.43 -5.04 115.22 108.46 1xkx n HIS 768 Ca -0.01 -2.87 -0.44 0.00 -0.00 0.00 0.00 57.72 54.40 1xkx n HIS 768 Cb 0.20 0.49 -0.05 0.00 -0.00 0.00 0.00 29.99 30.64 1xkx n HIS 768 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1xkx s ASP 769 N -2.02 6.21 0.26 4.39 2.15 -0.74 -4.84 116.67 122.08 1xkx s ASP 769 Ca 0.30 -1.04 0.24 0.00 0.43 0.00 0.00 52.55 52.48 1xkx s ASP 769 Cb 0.36 -2.34 0.99 0.00 -0.30 0.00 0.00 42.92 41.62 1xkx s ASP 769 CO -0.05 -1.14 1.71 0.54 -0.17 0.00 0.00 175.17 176.06 1xkx n ARG 770 N 6.74 0.19 -0.33 4.34 1.74 -1.26 -3.24 116.66 124.85 1xkx n ARG 770 Ca -0.06 0.43 0.07 0.00 -0.77 0.00 0.00 57.85 57.52 1xkx n ARG 770 Cb 0.45 -1.88 0.22 0.00 -1.02 0.00 0.00 32.46 30.23 1xkx n ARG 770 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1xkx n PHE 771 N -2.24 0.76 -4.11 -1.55 3.72 -1.26 -5.01 117.46 107.76 1xkx n PHE 771 Ca 0.02 -0.66 -0.36 0.00 -0.05 0.00 0.00 57.45 56.39 1xkx n PHE 771 Cb 0.23 -0.17 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 1xkx n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1xkx n LYS 772 N 0.15 -1.06 0.03 -1.08 5.02 -1.20 -4.76 118.16 115.26 1xkx n LYS 772 Ca 0.17 0.17 -0.10 0.00 -2.02 0.00 0.00 58.31 56.52 1xkx n LYS 772 Cb 0.66 -3.37 -0.05 0.00 -0.02 0.00 0.00 35.03 32.25 1xkx n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xkx h VAL 773 N -2.14 0.76 -0.71 -0.18 2.07 -1.93 -2.61 116.25 111.51 1xkx h VAL 773 Ca -0.68 0.00 0.04 0.00 0.82 0.00 0.00 66.70 66.88 1xkx h VAL 773 Cb 1.40 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 1xkx h VAL 773 CO 0.60 0.00 0.47 -0.26 0.02 0.00 0.00 177.57 178.40 1xkx h PHE 774 N -0.13 0.81 -0.16 1.57 0.05 -1.91 -2.71 116.94 114.46 1xkx h PHE 774 Ca 0.05 0.02 0.05 0.00 3.82 0.00 0.00 57.97 61.91 1xkx h PHE 774 Cb 0.20 -0.27 -0.01 0.00 2.00 0.00 0.00 35.95 37.88 1xkx h PHE 774 CO -0.18 0.47 0.13 0.00 -0.18 0.00 0.00 178.31 178.54 1xkx h ALA 775 N 1.59 2.03 -0.04 2.45 0.00 -1.84 -2.13 119.26 121.32 1xkx h ALA 775 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1xkx h ALA 775 Cb 0.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xkx h ALA 775 CO -0.08 -0.21 0.00 -0.25 0.00 0.00 0.00 179.25 178.71 1xkx n ASP 776 N -4.29 2.47 0.13 0.00 8.00 -1.04 -4.70 116.55 117.12 1xkx n ASP 776 Ca 0.01 -1.73 -0.13 0.00 0.71 0.00 0.00 54.79 53.65 1xkx n ASP 776 Cb 0.25 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.28 1xkx n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1xkx h TYR 777 N 3.37 -0.70 -0.07 1.24 5.03 -1.21 -1.05 116.97 123.58 1xkx h TYR 777 Ca 0.00 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.34 1xkx h TYR 777 Cb 0.72 0.29 -0.02 0.00 1.55 0.00 0.00 36.73 39.27 1xkx h TYR 777 CO 0.01 -0.37 -0.05 0.93 -1.32 0.00 0.00 178.16 177.36 1xkx h GLU 778 N -0.49 -0.05 -0.14 1.82 5.08 -1.84 -1.14 114.58 117.82 1xkx h GLU 778 Ca 0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1xkx h GLU 778 Cb 0.50 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1xkx h GLU 778 CO -0.13 -0.04 -0.18 1.49 -1.00 0.00 0.00 179.01 179.16 1xkx h GLU 779 N -0.06 0.23 0.12 2.33 4.81 -1.87 -1.68 114.58 118.47 1xkx h GLU 779 Ca 0.05 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1xkx h GLU 779 Cb 0.12 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1xkx h GLU 779 CO -0.10 0.42 -0.06 -0.92 -0.73 0.00 0.00 179.01 177.61 1xkx h TYR 780 N 0.22 -0.15 -0.66 0.92 3.20 -0.75 -0.39 116.97 119.36 1xkx h TYR 780 Ca 0.04 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.93 1xkx h TYR 780 Cb 0.45 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.73 1xkx h TYR 780 CO 0.01 0.16 0.41 0.28 -1.64 0.00 0.00 178.16 177.38 1xkx h VAL 781 N -0.46 1.11 -0.67 1.81 2.07 -1.08 0.01 116.25 119.03 1xkx h VAL 781 Ca -0.02 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1xkx h VAL 781 Cb 0.37 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1xkx h VAL 781 CO 0.03 0.15 0.36 0.50 0.02 0.00 0.00 177.57 178.63 1xkx h LYS 782 N 0.82 0.93 -0.68 1.57 1.63 -1.25 -2.08 116.57 117.52 1xkx h LYS 782 Ca 0.26 -0.11 -0.07 0.00 -0.85 0.00 0.00 60.65 59.88 1xkx h LYS 782 Cb -0.01 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.41 1xkx h LYS 782 CO -0.09 0.70 0.16 0.00 -3.45 0.00 0.00 179.45 176.78 1xkx h GLN 784 N 1.01 0.34 -0.45 0.00 1.08 -0.59 -0.67 115.11 115.83 1xkx h GLN 784 Ca 0.21 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.29 1xkx h GLN 784 Cb 0.37 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 1xkx h GLN 784 CO 0.00 0.25 -0.12 0.93 -0.95 0.00 0.00 178.83 178.94 1xkx h GLU 785 N 0.34 0.82 -0.33 1.46 5.08 -0.87 -1.89 114.58 119.19 1xkx h GLU 785 Ca 0.09 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 1xkx h GLU 785 Cb 0.01 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1xkx h GLU 785 CO -0.02 0.90 -0.06 0.00 -1.00 0.00 0.00 179.01 178.83 1xkx h ARG 786 N 0.74 0.53 -0.08 2.33 3.08 -0.93 -1.56 114.38 118.49 1xkx h ARG 786 Ca 0.12 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1xkx h ARG 786 Cb 0.62 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 1xkx h ARG 786 CO 0.04 0.60 0.02 0.28 -1.07 0.00 0.00 179.97 179.84 1xkx h VAL 787 N 0.50 1.19 -0.50 2.04 2.07 -0.89 -2.24 116.25 118.42 1xkx h VAL 787 Ca 0.10 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1xkx h VAL 787 Cb 0.42 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1xkx h VAL 787 CO 0.02 0.16 0.29 0.28 0.02 0.00 0.00 177.57 178.34 1xkx h SER 788 N -0.09 0.60 -0.38 0.57 0.02 -1.08 -1.13 113.55 112.06 1xkx h SER 788 Ca 0.02 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1xkx h SER 788 Cb 0.24 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1xkx h SER 788 CO 0.00 0.48 0.13 0.00 -1.14 0.00 0.00 176.83 176.29 1xkx h ALA 789 N 1.63 0.50 -0.21 3.77 0.00 -1.09 -2.89 119.26 120.96 1xkx h ALA 789 Ca 0.18 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1xkx h ALA 789 Cb -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1xkx h ALA 789 CO -0.03 0.13 -0.40 1.25 0.00 0.00 0.00 179.25 180.20 1xkx h LEU 790 N 0.47 0.50 -1.96 0.00 6.46 -0.89 -2.89 115.31 117.00 1xkx h LEU 790 Ca 0.12 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.64 1xkx h LEU 790 Cb 0.24 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.02 1xkx h LEU 790 CO -0.01 0.85 -0.11 0.22 -0.62 0.00 0.00 178.44 178.78 1xkx h TYR 791 N 0.40 0.00 0.00 1.25 3.20 -1.07 -0.99 116.97 119.76 1xkx h TYR 791 Ca 0.04 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1xkx h TYR 791 Cb 0.87 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.14 1xkx h TYR 791 CO 0.03 0.11 0.00 1.63 -1.64 0.00 0.00 178.16 178.29 1xkx n LYS 792 N -3.94 0.17 -3.76 1.82 5.02 -1.09 -3.73 118.16 112.65 1xkx n LYS 792 Ca -0.02 0.45 -0.31 0.00 -2.02 0.00 0.00 58.31 56.41 1xkx n LYS 792 Cb 0.20 -1.86 -0.10 0.00 -0.02 0.00 0.00 35.03 33.25 1xkx n LYS 792 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1xkx n ASN 793 N -2.19 3.56 -0.34 4.39 2.85 -0.38 -4.98 115.26 118.18 1xkx n ASN 793 Ca 0.02 -3.21 0.08 0.00 -0.11 0.00 0.00 54.58 51.36 1xkx n ASN 793 Cb 0.19 -0.87 0.18 0.00 1.24 0.00 0.00 39.78 40.52 1xkx n ASN 793 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1xkx n PRO 794 N 1.99 -0.08 -0.13 1.20 -0.02 -1.24 -1.49 135.00 135.22 1xkx n PRO 794 Ca 0.21 1.46 -0.09 0.00 -2.02 0.00 0.00 63.50 63.07 1xkx n PRO 794 Cb 0.36 -2.22 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 1xkx n PRO 794 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1xkx h ARG 795 N 0.00 0.57 -0.00 -0.52 2.43 -1.93 -1.53 114.38 113.40 1xkx h ARG 795 Ca 0.49 -0.09 -0.16 0.00 -0.81 0.00 0.00 59.98 59.42 1xkx h ARG 795 Cb 0.84 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 1xkx h ARG 795 CO -0.95 0.51 -0.74 0.93 -1.51 0.00 0.00 179.97 178.21 1xkx h GLU 796 N 0.50 0.02 -0.13 0.20 4.39 -1.63 -1.74 114.58 116.19 1xkx h GLU 796 Ca 0.13 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1xkx h GLU 796 Cb 0.14 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1xkx h GLU 796 CO -0.02 0.75 0.03 2.35 -1.16 0.00 0.00 179.01 180.97 1xkx h TRP 797 N 0.02 0.23 -0.60 4.33 2.91 -1.16 -2.01 115.95 119.67 1xkx h TRP 797 Ca -0.01 -0.03 -0.03 0.00 1.13 0.00 0.00 58.89 59.95 1xkx h TRP 797 Cb 1.31 -0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 29.87 1xkx h TRP 797 CO 0.00 0.38 0.23 1.15 -1.03 0.00 0.00 178.44 179.17 1xkx h THR 798 N 0.01 1.21 -0.39 2.65 2.02 -1.20 -0.84 112.91 116.37 1xkx h THR 798 Ca 0.04 -0.68 -0.09 0.00 0.77 0.00 0.00 66.41 66.45 1xkx h THR 798 Cb 0.27 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1xkx h THR 798 CO 0.00 0.27 -0.13 0.03 0.37 0.00 0.00 175.52 176.06 1xkx h ARG 799 N 0.86 0.70 -0.32 6.66 3.08 -1.16 0.00 114.38 124.21 1xkx h ARG 799 Ca 0.20 -0.23 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 1xkx h ARG 799 Cb 0.18 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1xkx h ARG 799 CO -0.02 0.80 -0.31 1.98 -1.07 0.00 0.00 179.97 181.36 1xkx h MET 800 N 0.64 0.67 -0.29 0.04 4.05 -0.83 -1.88 114.93 117.33 1xkx h MET 800 Ca 0.11 -0.30 0.01 0.00 -0.28 0.00 0.00 59.70 59.23 1xkx h MET 800 Cb 0.58 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 1xkx h MET 800 CO 0.04 0.90 0.18 0.28 0.23 0.00 0.00 176.91 178.53 1xkx h VAL 801 N 0.57 1.04 -0.76 -5.77 2.07 -0.43 -1.66 116.25 111.31 1xkx h VAL 801 Ca 0.07 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.49 1xkx h VAL 801 Cb 0.81 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1xkx h VAL 801 CO 0.07 0.07 0.50 0.40 0.02 0.00 0.00 177.57 178.63 1xkx h ILE 802 N 0.36 1.13 0.00 4.57 2.04 -0.71 0.29 117.51 125.19 1xkx h ILE 802 Ca 0.11 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 1xkx h ILE 802 Cb -0.01 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 1xkx h ILE 802 CO -0.05 0.17 -0.26 0.03 0.00 0.00 0.00 178.15 178.05 1xkx h ARG 803 N 0.95 0.00 0.04 2.37 3.08 -0.54 -0.79 114.38 119.48 1xkx h ARG 803 Ca 0.30 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.35 1xkx h ARG 803 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1xkx h ARG 803 CO -0.08 0.26 -0.02 -0.91 -1.07 0.00 0.00 179.97 178.15 1xkx h ASN 804 N 0.00 -0.04 -0.67 7.04 2.35 -0.14 -3.17 115.58 120.94 1xkx h ASN 804 Ca -0.00 -0.62 0.08 0.00 -0.55 0.00 0.00 56.30 55.21 1xkx h ASN 804 Cb 0.52 0.01 -0.07 0.00 0.05 0.00 0.00 38.32 38.83 1xkx h ASN 804 CO 0.03 0.72 0.33 0.40 -1.65 0.00 0.00 177.43 177.26 1xkx h ILE 805 N -0.92 0.87 0.00 2.81 2.04 -1.04 -1.67 117.51 119.60 1xkx h ILE 805 Ca -0.01 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1xkx h ILE 805 Cb 0.66 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1xkx h ILE 805 CO 0.01 0.11 -0.06 0.00 0.00 0.00 0.00 178.15 178.21 1xkx h ALA 806 N 1.40 1.34 -0.26 1.87 0.00 -1.25 -2.77 119.26 119.59 1xkx h ALA 806 Ca 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1xkx h ALA 806 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1xkx h ALA 806 CO -0.25 0.07 0.00 0.25 0.00 0.00 0.00 179.25 179.33 1xkx n THR 807 N -3.65 2.17 1.32 0.00 -2.24 -0.66 -2.06 114.28 109.15 1xkx n THR 807 Ca -0.02 -1.82 0.13 0.00 -2.27 0.00 0.00 64.05 60.07 1xkx n THR 807 Cb 0.16 -0.19 0.45 0.00 -2.10 0.00 0.00 70.33 68.65 1xkx n THR 807 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1xkx n SER 808 N -0.46 0.95 -0.34 3.42 3.41 -1.00 -4.37 113.62 115.24 1xkx n SER 808 Ca 0.20 -0.89 0.18 0.00 -0.26 0.00 0.00 58.87 58.10 1xkx n SER 808 Cb 0.85 0.07 0.39 0.00 -0.26 0.00 0.00 64.21 65.26 1xkx n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1xkx h GLY 809 N 4.93 1.90 1.75 5.00 0.00 -1.79 -0.43 103.07 114.43 1xkx h GLY 809 Ca 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.06 1xkx h GLY 809 CO 0.00 -0.27 0.10 1.70 0.00 0.00 0.00 176.54 178.07 1xkx h LYS 810 N 0.54 0.00 -0.80 4.80 3.64 -1.88 -2.67 116.57 120.20 1xkx h LYS 810 Ca 0.65 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 60.02 1xkx h LYS 810 Cb 1.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 1xkx h LYS 810 CO -0.49 0.00 0.01 1.19 -2.27 0.00 0.00 179.45 177.89 1xkx n PHE 811 N -3.67 1.07 -2.91 1.91 3.01 -0.17 -4.75 117.46 111.95 1xkx n PHE 811 Ca -0.01 -0.39 -0.40 0.00 1.01 0.00 0.00 57.45 57.65 1xkx n PHE 811 Cb 0.20 -0.32 -0.05 0.00 -0.01 0.00 0.00 39.48 39.30 1xkx n PHE 811 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1xkx s SER 812 N -0.38 7.33 0.17 4.37 0.15 -1.01 -0.77 113.70 123.56 1xkx s SER 812 Ca 0.28 1.58 0.16 0.00 0.70 0.00 0.00 55.95 58.66 1xkx s SER 812 Cb 0.21 -2.51 0.74 0.00 -1.71 0.00 0.00 66.02 62.76 1xkx s SER 812 CO 0.08 0.02 1.48 -1.54 1.20 0.00 0.00 173.24 174.49 1xkx n SER 813 N 2.60 0.35 -0.18 5.45 3.41 -0.01 -1.37 113.62 123.88 1xkx n SER 813 Ca -0.02 0.63 -0.09 0.00 -0.26 0.00 0.00 58.87 59.13 1xkx n SER 813 Cb 0.50 -0.69 0.05 0.00 -0.26 0.00 0.00 64.21 63.81 1xkx n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1xkx h ASP 814 N 0.00 0.98 -0.20 4.04 3.32 -1.91 0.80 116.42 123.45 1xkx h ASP 814 Ca 0.00 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.72 1xkx h ASP 814 Cb 0.14 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1xkx h ASP 814 CO 0.00 1.07 -0.02 -0.09 -1.72 0.00 0.00 179.24 178.48 1xkx h ARG 815 N 0.89 0.36 -0.12 3.56 1.12 -1.54 -1.24 114.38 117.42 1xkx h ARG 815 Ca 0.15 -0.12 0.03 0.00 -1.11 0.00 0.00 59.98 58.93 1xkx h ARG 815 Cb 0.61 -0.03 -0.03 0.00 -0.01 0.00 0.00 29.97 30.51 1xkx h ARG 815 CO 0.04 0.58 -0.08 1.15 -3.11 0.00 0.00 179.97 178.55 1xkx h THR 816 N 0.11 0.77 -0.47 0.20 2.02 -1.38 -1.70 112.91 112.45 1xkx h THR 816 Ca 0.05 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.18 1xkx h THR 816 Cb 0.43 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1xkx h THR 816 CO 0.01 0.00 0.07 0.40 0.37 0.00 0.00 175.52 176.37 1xkx h ILE 817 N -0.08 1.22 -0.76 3.11 1.08 -0.82 -1.52 117.51 119.75 1xkx h ILE 817 Ca 0.07 -0.83 -0.02 0.00 -0.39 0.00 0.00 64.86 63.69 1xkx h ILE 817 Cb 0.19 0.79 -0.04 0.00 -3.07 0.00 0.00 36.82 34.69 1xkx h ILE 817 CO -0.17 0.30 0.38 0.00 -0.69 0.00 0.00 178.15 177.98 1xkx h ALA 818 N 1.38 1.25 -0.32 1.87 0.00 -0.76 0.74 119.26 123.43 1xkx h ALA 818 Ca 0.15 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1xkx h ALA 818 Cb 0.33 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1xkx h ALA 818 CO 0.01 0.59 -0.32 1.96 0.00 0.00 0.00 179.25 181.49 1xkx h GLN 819 N 1.07 0.77 -0.44 0.00 4.20 -0.60 -1.73 115.11 118.38 1xkx h GLN 819 Ca 0.26 -0.41 0.01 0.00 0.06 0.00 0.00 58.65 58.57 1xkx h GLN 819 Cb 0.07 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1xkx h GLN 819 CO -0.04 1.03 0.29 1.88 -0.67 0.00 0.00 178.83 181.32 1xkx h TYR 820 N 0.54 0.54 -0.06 2.96 0.05 -0.97 0.88 116.97 120.91 1xkx h TYR 820 Ca 0.05 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.86 1xkx h TYR 820 Cb 0.89 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.43 1xkx h TYR 820 CO 0.07 0.33 -0.06 0.00 -1.05 0.00 0.00 178.16 177.46 1xkx h ALA 821 N 1.17 -0.01 0.10 3.88 0.00 -0.75 0.49 119.26 124.15 1xkx h ALA 821 Ca 0.16 0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.83 1xkx h ALA 821 Cb -0.05 0.12 0.03 0.00 0.00 0.00 0.00 17.79 17.89 1xkx h ALA 821 CO -0.04 -0.53 -1.12 0.00 0.00 0.00 0.00 179.25 177.55 1xkx h ARG 822 N -0.07 0.59 0.00 0.00 3.08 -1.19 0.22 114.38 117.01 1xkx h ARG 822 Ca 0.05 -0.76 0.00 0.00 0.07 0.00 0.00 59.98 59.33 1xkx h ARG 822 Cb 0.14 0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1xkx h ARG 822 CO -0.11 1.34 -0.85 0.39 -1.07 0.00 0.00 179.97 179.67 1xkx n GLU 823 N -3.88 0.21 0.00 0.04 1.02 0.29 -4.26 120.64 114.07 1xkx n GLU 823 Ca -0.13 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1xkx n GLU 823 Cb 0.93 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 1xkx n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1xkx n ILE 824 N -1.85 0.04 0.16 -3.67 5.41 -0.00 -4.86 119.36 114.58 1xkx n ILE 824 Ca 0.03 0.01 0.07 0.00 1.00 0.00 0.00 62.75 63.87 1xkx n ILE 824 Cb 0.41 -1.21 0.07 0.00 -0.71 0.00 0.00 39.64 38.20 1xkx n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1xkx h TRP 825 N 0.00 0.00 -3.32 1.39 6.55 -1.11 -3.48 115.95 115.97 1xkx h TRP 825 Ca 0.00 0.00 -0.15 0.00 0.95 0.00 0.00 58.89 59.69 1xkx h TRP 825 Cb 0.67 0.00 0.07 0.00 -0.86 0.00 0.00 29.16 29.04 1xkx h TRP 825 CO 0.00 0.24 -0.31 0.41 -1.05 0.00 0.00 178.44 177.73 1xkx n GLY 826 N 1.18 0.20 3.01 1.49 0.00 0.57 -4.95 105.19 106.70 1xkx n GLY 826 Ca 0.02 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 1xkx n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xkx s VAL 827 N -3.14 0.35 -0.21 1.61 -7.23 -0.03 -5.01 120.40 106.73 1xkx s VAL 827 Ca 0.12 -0.90 -0.13 0.00 -1.81 0.00 0.00 61.98 59.25 1xkx s VAL 827 Cb -0.05 -0.43 -0.05 0.00 0.56 0.00 0.00 36.38 36.41 1xkx s VAL 827 CO 0.31 -0.37 0.27 -1.61 -0.31 0.00 0.00 175.10 173.39 1xkx s GLU 828 N -1.36 4.15 0.69 4.82 0.41 -1.26 -3.50 118.70 122.65 1xkx s GLU 828 Ca -0.11 -0.02 -0.14 0.00 -0.41 0.00 0.00 54.97 54.29 1xkx s GLU 828 Cb -0.09 -3.51 0.01 0.00 -1.78 0.00 0.00 34.13 28.76 1xkx s GLU 828 CO -0.00 0.07 1.11 -1.25 -0.49 0.00 0.00 175.26 174.69 1xkx s PRO 829 N 1.02 2.65 -0.03 0.39 0.04 -1.26 -4.94 135.00 132.87 1xkx s PRO 829 Ca 0.13 1.34 -0.02 0.00 0.04 0.00 0.00 61.00 62.50 1xkx s PRO 829 Cb -0.14 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.48 1xkx s PRO 829 CO 0.05 -1.36 0.07 0.45 0.04 0.00 0.00 177.00 176.25 1xkx s SER 830 N -2.77 -0.04 -0.34 6.66 0.15 0.11 -5.02 113.70 112.45 1xkx s SER 830 Ca 0.66 0.13 0.09 0.00 0.70 0.00 0.00 55.95 57.53 1xkx s SER 830 Cb -0.20 0.09 0.66 0.00 -1.71 0.00 0.00 66.02 64.87 1xkx s SER 830 CO 0.45 -0.06 1.73 0.54 1.20 0.00 0.00 173.24 177.10 1xkx n ARG 831 N 3.47 2.91 -2.94 5.44 5.12 -1.26 -3.08 116.66 126.31 1xkx n ARG 831 Ca -0.18 -3.07 -0.41 0.00 -1.93 0.00 0.00 57.85 52.27 1xkx n ARG 831 Cb 0.56 -2.09 -0.04 0.00 -1.16 0.00 0.00 32.46 29.73 1xkx n ARG 831 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1xkx s GLN 832 N -3.11 4.41 0.46 5.56 -0.21 -1.26 -5.04 119.66 120.47 1xkx s GLN 832 Ca 0.52 1.01 -0.23 0.00 0.02 0.00 0.00 55.36 56.69 1xkx s GLN 832 Cb 0.43 -3.49 -0.07 0.00 1.00 0.00 0.00 33.01 30.88 1xkx s GLN 832 CO 0.10 -0.09 1.17 1.03 -2.12 0.00 0.00 175.29 175.38 1xkx s ARG 833 N 1.29 3.73 0.04 2.91 3.00 -1.26 -4.96 118.95 123.70 1xkx s ARG 833 Ca 0.40 1.78 -0.01 0.00 0.00 0.00 0.00 55.73 57.90 1xkx s ARG 833 Cb -0.18 -2.39 -0.04 0.00 0.00 0.00 0.00 34.95 32.34 1xkx s ARG 833 CO 0.18 -0.58 0.21 -0.51 0.00 0.00 0.00 175.30 174.60 1xkx s LEU 834 N -3.06 4.36 0.12 2.53 1.43 -0.22 -5.03 118.68 118.81 1xkx s LEU 834 Ca 0.64 0.31 -0.31 0.00 -1.03 0.00 0.00 54.13 53.74 1xkx s LEU 834 Cb -0.29 -2.87 -0.09 0.00 0.03 0.00 0.00 46.19 42.97 1xkx s LEU 834 CO 0.35 0.19 1.60 -2.16 0.23 0.00 0.00 176.35 176.56 1xkx s PRO 835 N -2.33 4.21 0.00 1.29 0.04 -1.26 -4.62 135.00 132.33 1xkx s PRO 835 Ca 0.33 2.34 0.25 0.00 0.04 0.00 0.00 61.00 63.95 1xkx s PRO 835 Cb -0.13 -3.34 0.32 0.00 0.04 0.00 0.00 34.50 31.39 1xkx s PRO 835 CO 0.25 -0.65 1.33 0.00 0.04 0.00 0.00 177.00 177.97