#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xl0 s ILE 13 N 0.00 3.72 0.06 1.69 -4.36 -1.26 -5.08 121.20 115.98 1xl0 s ILE 13 Ca 0.00 -1.26 -0.21 0.00 -0.26 0.00 0.00 60.65 58.91 1xl0 s ILE 13 Cb 0.00 -2.81 -0.09 0.00 1.25 0.00 0.00 42.46 40.80 1xl0 s ILE 13 CO 0.00 0.01 1.34 -1.28 0.24 0.00 0.00 174.94 175.24 1xl0 h SER 14 N 3.12 -0.94 0.00 4.36 0.87 -1.96 -2.98 113.55 116.02 1xl0 h SER 14 Ca -0.48 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1xl0 h SER 14 Cb 1.18 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 63.48 1xl0 h SER 14 CO 0.57 -0.36 0.14 1.33 -0.53 0.00 0.00 176.83 177.98 1xl0 n VAL 15 N -4.27 0.96 0.54 2.23 0.24 -1.26 -1.68 118.33 115.08 1xl0 n VAL 15 Ca -0.06 0.37 0.07 0.00 -2.04 0.00 0.00 64.34 62.69 1xl0 n VAL 15 Cb 0.26 -1.37 0.20 0.00 -1.47 0.00 0.00 33.84 31.45 1xl0 n VAL 15 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1xl0 n ARG 16 N -1.19 2.12 0.00 7.34 1.74 -1.13 -5.05 116.66 120.49 1xl0 n ARG 16 Ca 0.00 -1.62 0.00 0.00 -0.77 0.00 0.00 57.85 55.46 1xl0 n ARG 16 Cb 0.14 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 1xl0 n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xl0 n GLY 17 N 1.14 -0.97 3.88 -0.13 0.00 -0.68 -0.99 105.19 107.44 1xl0 n GLY 17 Ca 0.15 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 1xl0 n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xl0 s LEU 18 N -1.66 4.09 -0.77 0.99 2.01 -1.26 -4.63 118.68 117.44 1xl0 s LEU 18 Ca 0.00 0.97 0.03 0.00 0.01 0.00 0.00 54.13 55.14 1xl0 s LEU 18 Cb 0.00 -3.76 0.30 0.00 0.01 0.00 0.00 46.19 42.73 1xl0 s LEU 18 CO 0.00 -0.16 1.11 0.00 1.01 0.00 0.00 176.35 178.31 1xl0 n ALA 19 N -0.45 4.75 -1.54 4.21 0.00 -1.26 -3.79 120.51 122.43 1xl0 n ALA 19 Ca 0.01 -4.74 -0.36 0.00 0.00 0.00 0.00 53.44 48.34 1xl0 n ALA 19 Cb 0.53 -1.34 0.08 0.00 0.00 0.00 0.00 19.45 18.72 1xl0 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xl0 n GLY 20 N 0.53 0.31 0.19 0.00 0.00 -1.26 -4.84 105.19 100.12 1xl0 n GLY 20 Ca 0.32 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 1xl0 n GLY 20 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xl0 h VAL 21 N 0.11 0.70 -0.46 1.61 2.07 -2.00 -1.52 116.25 116.77 1xl0 h VAL 21 Ca -0.49 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1xl0 h VAL 21 Cb 1.33 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1xl0 h VAL 21 CO 0.51 0.00 0.24 -0.33 0.02 0.00 0.00 177.57 178.01 1xl0 h GLU 22 N -0.42 0.65 -0.33 1.57 3.07 -2.00 -2.67 114.58 114.45 1xl0 h GLU 22 Ca -0.04 -0.09 -0.12 0.00 -0.50 0.00 0.00 59.36 58.61 1xl0 h GLU 22 Cb 0.32 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1xl0 h GLU 22 CO 0.07 0.53 -0.28 -0.91 -1.40 0.00 0.00 179.01 177.03 1xl0 h ASN 23 N 0.60 0.70 -0.61 1.42 4.21 -1.93 -0.93 115.58 119.04 1xl0 h ASN 23 Ca 0.16 -0.27 -0.10 0.00 1.21 0.00 0.00 56.30 57.31 1xl0 h ASN 23 Cb 0.09 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 37.07 1xl0 h ASN 23 CO -0.02 0.94 0.00 0.58 -1.29 0.00 0.00 177.43 177.65 1xl0 h VAL 24 N 0.59 1.27 -0.40 2.81 2.07 -1.25 0.15 116.25 121.49 1xl0 h VAL 24 Ca 0.07 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.41 1xl0 h VAL 24 Cb 0.77 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1xl0 h VAL 24 CO 0.06 0.42 0.12 0.74 0.02 0.00 0.00 177.57 178.94 1xl0 h THR 25 N 0.99 1.22 -0.48 2.57 2.02 -1.32 -1.60 112.91 116.30 1xl0 h THR 25 Ca 0.18 -0.72 -0.03 0.00 0.77 0.00 0.00 66.41 66.61 1xl0 h THR 25 Cb 0.56 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1xl0 h THR 25 CO 0.03 0.25 0.19 -0.08 0.37 0.00 0.00 175.52 176.28 1xl0 h GLU 26 N 0.50 0.73 -0.55 6.66 4.57 -0.96 -2.29 114.58 123.24 1xl0 h GLU 26 Ca 0.13 -0.14 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1xl0 h GLU 26 Cb 0.26 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 1xl0 h GLU 26 CO -0.00 0.66 0.36 -0.07 -1.18 0.00 0.00 179.01 178.78 1xl0 h LEU 27 N 0.64 0.61 -0.32 1.64 3.38 -0.81 -1.41 115.31 119.05 1xl0 h LEU 27 Ca 0.16 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1xl0 h LEU 27 Cb 0.21 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1xl0 h LEU 27 CO -0.01 0.44 0.18 0.11 0.09 0.00 0.00 178.44 179.25 1xl0 h LYS 28 N 0.73 0.36 -0.39 1.13 1.57 -1.10 0.97 116.57 119.84 1xl0 h LYS 28 Ca 0.20 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.85 1xl0 h LYS 28 Cb -0.07 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1xl0 h LYS 28 CO -0.05 0.24 -0.19 1.57 -0.57 0.00 0.00 179.45 180.45 1xl0 h LYS 29 N 0.37 0.76 0.00 3.15 2.10 -1.18 -1.49 116.57 120.28 1xl0 h LYS 29 Ca 0.13 -0.29 -0.10 0.00 -2.00 0.00 0.00 60.65 58.39 1xl0 h LYS 29 Cb 0.01 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.28 1xl0 h LYS 29 CO -0.06 0.89 -0.49 -0.91 -2.00 0.00 0.00 179.45 176.87 1xl0 h ASN 30 N 0.67 0.00 -0.11 7.07 2.35 -0.98 0.44 115.58 125.02 1xl0 h ASN 30 Ca 0.10 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1xl0 h ASN 30 Cb 0.69 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.05 1xl0 h ASN 30 CO 0.05 0.49 0.01 0.15 -1.65 0.00 0.00 177.43 176.48 1xl0 h PHE 31 N 0.00 0.20 -0.16 1.19 3.57 -0.42 -1.44 116.94 119.88 1xl0 h PHE 31 Ca -0.00 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 1xl0 h PHE 31 Cb 0.95 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1xl0 h PHE 31 CO 0.00 0.42 -0.23 -0.91 -2.23 0.00 0.00 178.31 175.36 1xl0 h ASN 32 N -0.08 0.28 -0.30 0.41 2.35 -1.06 -1.52 115.58 115.67 1xl0 h ASN 32 Ca 0.03 -0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 1xl0 h ASN 32 Cb 0.33 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1xl0 h ASN 32 CO 0.00 0.52 0.09 -0.09 -1.65 0.00 0.00 177.43 176.30 1xl0 h ARG 33 N 0.26 0.47 -0.45 0.81 2.43 -0.68 -2.16 114.38 115.05 1xl0 h ARG 33 Ca 0.04 -0.10 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 1xl0 h ARG 33 Cb 0.56 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1xl0 h ARG 33 CO 0.04 0.53 -0.23 0.45 -1.51 0.00 0.00 179.97 179.25 1xl0 h HIS 34 N 0.32 1.05 -1.00 2.20 3.86 -1.05 0.87 115.15 121.40 1xl0 h HIS 34 Ca 0.10 -0.25 0.04 0.00 -1.16 0.00 0.00 60.37 59.10 1xl0 h HIS 34 Cb 0.26 -0.25 -0.06 0.00 1.06 0.00 0.00 27.41 28.42 1xl0 h HIS 34 CO 0.01 1.04 0.65 1.25 0.86 0.00 0.00 177.93 181.74 1xl0 h LEU 35 N 0.79 1.08 0.02 2.43 5.85 -1.19 0.12 115.31 124.42 1xl0 h LEU 35 Ca 0.10 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1xl0 h LEU 35 Cb 0.78 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1xl0 h LEU 35 CO 0.06 0.73 -0.01 -0.74 -0.34 0.00 0.00 178.44 178.14 1xl0 h HIS 36 N 1.25 -0.03 -0.20 1.25 2.76 -1.17 -1.79 115.15 117.23 1xl0 h HIS 36 Ca 0.41 -0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 58.39 1xl0 h HIS 36 Cb 0.04 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.00 1xl0 h HIS 36 CO -0.00 -0.02 -0.62 0.74 -1.30 0.00 0.00 177.93 176.74 1xl0 h PHE 37 N -0.17 0.88 0.05 5.26 0.04 -0.91 -1.48 116.94 120.61 1xl0 h PHE 37 Ca -0.00 -0.34 -0.18 0.00 2.80 0.00 0.00 57.97 60.25 1xl0 h PHE 37 Cb 0.02 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 1xl0 h PHE 37 CO 0.02 1.12 -0.94 1.15 -0.60 0.00 0.00 178.31 179.07 1xl0 h THR 38 N 0.51 1.23 0.00 -1.55 2.02 -1.00 -3.38 112.91 110.75 1xl0 h THR 38 Ca -0.01 -2.32 0.00 0.00 0.77 0.00 0.00 66.41 64.85 1xl0 h THR 38 Cb 1.20 2.77 0.00 0.00 -1.74 0.00 0.00 68.15 70.38 1xl0 h THR 38 CO 0.12 0.55 -0.73 0.18 0.37 0.00 0.00 175.52 176.01 1xl0 n LEU 39 N -4.29 0.62 -3.50 2.58 4.77 0.20 -4.99 117.00 112.38 1xl0 n LEU 39 Ca -0.22 -0.04 -0.25 0.00 -0.03 0.00 0.00 56.01 55.47 1xl0 n LEU 39 Cb 0.71 -0.17 0.06 0.00 -2.33 0.00 0.00 43.42 41.69 1xl0 n LEU 39 CO 0.32 0.09 -0.03 0.52 -1.33 0.00 0.00 177.39 176.97 1xl0 n VAL 40 N -1.72 -7.26 -3.92 4.08 0.31 -0.56 -4.98 118.33 104.27 1xl0 n VAL 40 Ca 0.04 -1.13 -0.09 0.00 -0.01 0.00 0.00 64.34 63.16 1xl0 n VAL 40 Cb 0.38 -5.27 -0.08 0.00 -0.91 0.00 0.00 33.84 27.96 1xl0 n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1xl0 s LYS 41 N -5.31 0.86 0.43 5.55 -0.14 -0.70 -5.02 119.74 115.40 1xl0 s LYS 41 Ca 0.46 -1.06 0.06 0.00 -1.36 0.00 0.00 55.97 54.07 1xl0 s LYS 41 Cb -0.12 0.32 -0.07 0.00 -1.68 0.00 0.00 37.83 36.28 1xl0 s LYS 41 CO 0.81 -0.27 0.01 0.16 -0.76 0.00 0.00 175.35 175.30 1xl0 s ASP 42 N -2.90 3.89 0.10 2.83 1.47 -1.26 -3.87 116.67 116.93 1xl0 s ASP 42 Ca 0.08 -1.42 0.10 0.00 1.18 0.00 0.00 52.55 52.49 1xl0 s ASP 42 Cb 0.05 -0.23 0.49 0.00 -0.34 0.00 0.00 42.92 42.90 1xl0 s ASP 42 CO -0.08 -0.53 1.32 0.54 0.68 0.00 0.00 175.17 177.10 1xl0 n ARG 43 N -1.02 0.05 0.12 2.11 5.12 -1.26 -2.16 116.66 119.63 1xl0 n ARG 43 Ca -0.07 0.47 0.09 0.00 -1.93 0.00 0.00 57.85 56.41 1xl0 n ARG 43 Cb 0.67 -1.64 0.03 0.00 -1.16 0.00 0.00 32.46 30.36 1xl0 n ARG 43 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 1xl0 h ASN 44 N 0.00 0.00 0.00 0.55 2.35 -2.05 -3.37 115.58 113.06 1xl0 h ASN 44 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1xl0 h ASN 44 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1xl0 h ASN 44 CO 0.00 0.12 0.00 1.33 -1.65 0.00 0.00 177.43 177.23 1xl0 n VAL 45 N -2.85 0.08 -2.32 2.81 0.24 -1.05 -5.05 118.33 110.19 1xl0 n VAL 45 Ca -0.00 -0.47 -0.41 0.00 -2.04 0.00 0.00 64.34 61.42 1xl0 n VAL 45 Cb 0.60 1.09 -0.03 0.00 -1.47 0.00 0.00 33.84 34.02 1xl0 n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xl0 s ALA 46 N -0.08 3.45 0.39 2.33 0.00 -0.92 -4.94 121.76 121.99 1xl0 s ALA 46 Ca 0.00 1.05 0.08 0.00 0.00 0.00 0.00 51.96 53.09 1xl0 s ALA 46 Cb 0.00 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 1xl0 s ALA 46 CO 0.00 -0.37 0.27 0.95 0.00 0.00 0.00 175.76 176.61 1xl0 s THR 47 N -1.07 2.75 0.41 0.00 -4.23 -1.26 -4.97 115.64 107.28 1xl0 s THR 47 Ca 0.47 -1.50 0.16 0.00 -1.18 0.00 0.00 61.69 59.63 1xl0 s THR 47 Cb -0.35 -3.02 0.36 0.00 1.34 0.00 0.00 72.50 70.83 1xl0 s THR 47 CO 0.46 -0.06 1.88 -0.65 -0.54 0.00 0.00 174.62 175.71 1xl0 h PRO 48 N 1.26 0.43 -0.56 3.99 0.11 -1.99 0.83 132.00 136.06 1xl0 h PRO 48 Ca -0.43 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1xl0 h PRO 48 Cb 1.26 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1xl0 h PRO 48 CO 0.62 0.29 0.03 -0.09 -0.21 0.00 0.00 178.00 178.63 1xl0 h ARG 49 N 0.44 0.95 -0.71 1.05 2.43 -1.96 -0.28 114.38 116.30 1xl0 h ARG 49 Ca 0.43 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1xl0 h ARG 49 Cb 1.01 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.42 1xl0 h ARG 49 CO -0.16 0.92 0.33 -0.44 -1.51 0.00 0.00 179.97 179.10 1xl0 h ASP 50 N 0.88 0.94 -0.32 -3.80 3.45 -1.25 -1.52 116.42 114.80 1xl0 h ASP 50 Ca 0.17 -0.14 -0.08 0.00 0.43 0.00 0.00 57.03 57.40 1xl0 h ASP 50 Cb 0.48 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.99 1xl0 h ASP 50 CO 0.02 0.82 -0.07 1.88 -1.57 0.00 0.00 179.24 180.33 1xl0 h TYR 51 N 0.99 0.77 -0.21 4.55 0.05 -0.83 -0.52 116.97 121.77 1xl0 h TYR 51 Ca 0.24 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.89 1xl0 h TYR 51 Cb 0.14 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 1xl0 h TYR 51 CO 0.01 0.76 0.11 -0.92 -1.05 0.00 0.00 178.16 177.07 1xl0 h TYR 52 N 0.66 0.29 -0.58 4.88 3.20 -0.53 -1.25 116.97 123.64 1xl0 h TYR 52 Ca 0.12 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 1xl0 h TYR 52 Cb 0.51 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 1xl0 h TYR 52 CO 0.02 0.27 0.08 0.74 -1.64 0.00 0.00 178.16 177.64 1xl0 h PHE 53 N 0.22 0.98 -0.52 -3.82 -1.00 -0.99 0.10 116.94 111.92 1xl0 h PHE 53 Ca 0.07 -0.12 0.02 0.00 2.81 0.00 0.00 57.97 60.75 1xl0 h PHE 53 Cb 0.08 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 39.34 1xl0 h PHE 53 CO -0.03 0.84 0.32 0.00 -1.61 0.00 0.00 178.31 177.84 1xl0 h ALA 54 N 1.21 0.66 -0.50 2.45 0.00 -0.85 0.27 119.26 122.50 1xl0 h ALA 54 Ca 0.18 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1xl0 h ALA 54 Cb 0.40 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1xl0 h ALA 54 CO 0.01 0.05 -0.08 1.25 0.00 0.00 0.00 179.25 180.48 1xl0 h LEU 55 N 0.65 0.93 -0.34 0.00 5.85 -0.79 -2.14 115.31 119.48 1xl0 h LEU 55 Ca 0.20 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1xl0 h LEU 55 Cb -0.03 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1xl0 h LEU 55 CO -0.07 1.06 0.22 0.00 -0.34 0.00 0.00 178.44 179.31 1xl0 h ALA 56 N 0.91 0.43 -0.35 1.25 0.00 -0.25 -0.47 119.26 120.77 1xl0 h ALA 56 Ca 0.13 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1xl0 h ALA 56 Cb 0.63 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1xl0 h ALA 56 CO 0.04 -0.10 -0.01 0.45 0.00 0.00 0.00 179.25 179.64 1xl0 h HIS 57 N 0.46 0.58 -0.30 0.00 3.86 -0.91 0.18 115.15 119.02 1xl0 h HIS 57 Ca 0.12 -0.06 -0.05 0.00 -1.16 0.00 0.00 60.37 59.23 1xl0 h HIS 57 Cb -0.04 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 1xl0 h HIS 57 CO -0.05 0.57 0.00 1.15 0.86 0.00 0.00 177.93 180.46 1xl0 h THR 58 N 0.53 1.26 -0.38 2.45 2.02 -0.79 -1.54 112.91 116.45 1xl0 h THR 58 Ca 0.11 -0.94 -0.14 0.00 0.77 0.00 0.00 66.41 66.21 1xl0 h THR 58 Cb 0.35 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1xl0 h THR 58 CO 0.01 0.30 -0.33 0.58 0.37 0.00 0.00 175.52 176.46 1xl0 h VAL 59 N 0.32 1.28 -0.96 3.16 2.07 -0.86 -2.95 116.25 118.30 1xl0 h VAL 59 Ca 0.08 -1.49 0.08 0.00 0.82 0.00 0.00 66.70 66.19 1xl0 h VAL 59 Cb 0.43 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 31.46 1xl0 h VAL 59 CO 0.02 0.50 0.62 -0.09 0.02 0.00 0.00 177.57 178.63 1xl0 h ARG 60 N 0.72 1.03 -0.88 1.57 2.43 -0.47 -1.87 114.38 116.91 1xl0 h ARG 60 Ca 0.07 -0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 1xl0 h ARG 60 Cb 0.89 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 30.14 1xl0 h ARG 60 CO 0.08 0.68 0.57 -0.44 -1.51 0.00 0.00 179.97 179.36 1xl0 h ASP 61 N 1.07 0.81 0.75 -3.80 3.45 -1.10 -0.32 116.42 117.27 1xl0 h ASP 61 Ca 0.42 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.90 1xl0 h ASP 61 Cb 0.25 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 1xl0 h ASP 61 CO -0.18 0.49 0.00 0.45 -1.57 0.00 0.00 179.24 178.43 1xl0 h HIS 62 N 0.90 0.00 0.19 4.55 3.86 -1.39 -3.14 115.15 120.11 1xl0 h HIS 62 Ca 0.40 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 59.27 1xl0 h HIS 62 Cb 0.37 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.85 1xl0 h HIS 62 CO -0.00 0.00 -1.65 -0.07 0.86 0.00 0.00 177.93 177.07 1xl0 h LEU 63 N 0.00 0.63 -0.52 2.43 3.38 -1.06 -3.40 115.31 116.77 1xl0 h LEU 63 Ca 0.00 -0.93 0.10 0.00 0.09 0.00 0.00 57.88 57.15 1xl0 h LEU 63 Cb 0.37 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 40.82 1xl0 h LEU 63 CO 0.00 1.75 -0.08 -0.37 0.09 0.00 0.00 178.44 179.83 1xl0 h VAL 64 N 0.06 0.52 -0.36 1.22 -1.51 -1.47 0.14 116.25 114.84 1xl0 h VAL 64 Ca -0.32 -0.01 0.06 0.00 -1.23 0.00 0.00 66.70 65.19 1xl0 h VAL 64 Cb 2.07 0.47 -0.05 0.00 -2.13 0.00 0.00 31.29 31.65 1xl0 h VAL 64 CO 0.18 0.01 0.05 1.23 -1.23 0.00 0.00 177.57 177.81 1xl0 h GLY 65 N 0.04 0.41 1.53 5.19 0.00 -1.78 0.92 103.07 109.39 1xl0 h GLY 65 Ca 0.26 -0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.49 1xl0 h GLY 65 CO -0.50 -0.04 -0.23 3.21 0.00 0.00 0.00 176.54 178.98 1xl0 h ARG 66 N 0.17 0.54 -0.27 4.80 3.08 -1.61 -2.40 114.38 118.70 1xl0 h ARG 66 Ca 0.17 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1xl0 h ARG 66 Cb 0.21 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1xl0 h ARG 66 CO -0.25 0.73 0.04 2.35 -1.07 0.00 0.00 179.97 181.78 1xl0 h TRP 67 N 0.48 0.47 -0.30 3.04 7.01 0.09 -0.31 115.95 126.45 1xl0 h TRP 67 Ca 0.07 -0.07 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 1xl0 h TRP 67 Cb 0.66 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.58 1xl0 h TRP 67 CO 0.02 0.56 0.10 0.82 -2.79 0.00 0.00 178.44 177.15 1xl0 h ILE 68 N 0.25 1.20 0.00 2.65 2.04 -0.74 -2.52 117.51 120.39 1xl0 h ILE 68 Ca 0.08 -0.63 -0.11 0.00 1.00 0.00 0.00 64.86 65.19 1xl0 h ILE 68 Cb 0.34 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1xl0 h ILE 68 CO 0.01 0.21 -0.55 0.08 0.00 0.00 0.00 178.15 177.90 1xl0 h ARG 69 N 0.32 0.00 -0.07 2.37 0.11 -1.41 -0.96 114.38 114.73 1xl0 h ARG 69 Ca 0.10 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.17 1xl0 h ARG 69 Cb 0.23 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.31 1xl0 h ARG 69 CO -0.00 0.55 0.03 1.15 0.10 0.00 0.00 179.97 181.79 1xl0 h THR 70 N 0.00 1.13 -0.63 0.08 2.02 -0.95 0.24 112.91 114.81 1xl0 h THR 70 Ca -0.01 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 66.72 1xl0 h THR 70 Cb 1.10 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.75 1xl0 h THR 70 CO 0.07 0.11 0.16 1.56 0.37 0.00 0.00 175.52 177.79 1xl0 h GLN 71 N -0.03 0.98 -0.56 6.66 1.08 -1.34 -1.53 115.11 120.37 1xl0 h GLN 71 Ca 0.02 -0.22 -0.07 0.00 -1.45 0.00 0.00 58.65 56.94 1xl0 h GLN 71 Cb 0.15 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1xl0 h GLN 71 CO -0.00 0.87 0.07 0.37 -0.95 0.00 0.00 178.83 179.19 1xl0 h GLN 72 N 0.94 0.91 -0.21 1.46 5.75 -0.95 -2.40 115.11 120.62 1xl0 h GLN 72 Ca 0.20 -0.23 0.02 0.00 -0.15 0.00 0.00 58.65 58.49 1xl0 h GLN 72 Cb 0.33 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 1xl0 h GLN 72 CO -0.00 0.86 0.07 1.25 -2.65 0.00 0.00 178.83 178.36 1xl0 h HIS 73 N 0.86 0.12 -0.25 3.99 2.76 0.30 -1.58 115.15 121.35 1xl0 h HIS 73 Ca 0.17 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.31 1xl0 h HIS 73 Cb 0.41 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 1xl0 h HIS 73 CO 0.03 0.05 -0.02 1.88 -1.30 0.00 0.00 177.93 178.57 1xl0 h TYR 74 N 0.16 0.38 -0.25 5.26 0.05 -1.06 -0.92 116.97 120.59 1xl0 h TYR 74 Ca 0.09 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 1xl0 h TYR 74 Cb 0.07 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 1xl0 h TYR 74 CO -0.12 0.40 0.03 -0.92 -1.05 0.00 0.00 178.16 176.50 1xl0 h TYR 75 N 0.36 0.44 0.28 4.88 3.20 -0.91 0.37 116.97 125.60 1xl0 h TYR 75 Ca 0.08 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1xl0 h TYR 75 Cb 0.27 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1xl0 h TYR 75 CO 0.01 0.55 -0.14 0.93 -1.64 0.00 0.00 178.16 177.87 1xl0 h GLU 76 N 0.21 -0.37 0.00 1.82 4.39 -0.89 -3.23 114.58 116.52 1xl0 h GLU 76 Ca 0.07 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1xl0 h GLU 76 Cb 0.35 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1xl0 h GLU 76 CO 0.01 -0.10 -0.01 0.87 -1.16 0.00 0.00 179.01 178.62 1xl0 h LYS 77 N -0.61 0.00 -6.55 2.33 1.57 -1.24 -3.48 116.57 108.60 1xl0 h LYS 77 Ca -0.04 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.23 1xl0 h LYS 77 Cb 0.44 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.78 1xl0 h LYS 77 CO 0.06 0.01 -0.97 -3.47 -0.57 0.00 0.00 179.45 174.52 1xl0 n ASP 78 N -3.10 -4.51 -4.65 0.86 2.03 0.13 -4.97 116.55 102.33 1xl0 n ASP 78 Ca 0.03 -1.14 -0.29 0.00 0.52 0.00 0.00 54.79 53.91 1xl0 n ASP 78 Cb 0.49 -2.63 0.12 0.00 -0.72 0.00 0.00 41.12 38.38 1xl0 n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1xl0 s PRO 79 N -6.63 1.54 0.19 -0.67 0.04 -1.26 -4.98 135.00 123.23 1xl0 s PRO 79 Ca 0.46 -0.08 -0.31 0.00 0.04 0.00 0.00 61.00 61.11 1xl0 s PRO 79 Cb -0.20 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 1xl0 s PRO 79 CO 0.91 -1.85 1.44 0.21 0.04 0.00 0.00 177.00 177.75 1xl0 s LYS 80 N -5.67 4.29 -0.01 4.56 2.20 -1.26 -4.96 119.74 118.90 1xl0 s LYS 80 Ca 0.66 2.22 -0.14 0.00 -0.36 0.00 0.00 55.97 58.35 1xl0 s LYS 80 Cb -0.09 -3.17 -0.06 0.00 -1.51 0.00 0.00 37.83 33.01 1xl0 s LYS 80 CO 0.50 -0.44 0.39 1.03 -0.36 0.00 0.00 175.35 176.47 1xl0 s ARG 81 N 0.38 3.89 -0.21 4.03 3.00 0.10 -4.53 118.95 125.61 1xl0 s ARG 81 Ca 0.63 0.38 -0.05 0.00 0.00 0.00 0.00 55.73 56.68 1xl0 s ARG 81 Cb -0.40 -3.22 -0.02 0.00 0.00 0.00 0.00 34.95 31.30 1xl0 s ARG 81 CO 0.36 0.69 0.01 0.42 0.00 0.00 0.00 175.30 176.78 1xl0 s ILE 82 N -1.06 3.98 -0.29 1.52 -1.09 -0.35 -1.36 121.20 122.55 1xl0 s ILE 82 Ca 0.23 -0.30 -0.02 0.00 -2.23 0.00 0.00 60.65 58.33 1xl0 s ILE 82 Cb -0.16 -2.81 0.04 0.00 -1.58 0.00 0.00 42.46 37.95 1xl0 s ILE 82 CO 0.13 0.42 -0.01 -0.31 -1.23 0.00 0.00 174.94 173.93 1xl0 s TYR 83 N 1.10 3.21 -0.50 3.97 2.02 0.64 -0.58 117.35 127.21 1xl0 s TYR 83 Ca 0.03 -1.75 -0.17 0.00 -0.37 0.00 0.00 57.07 54.80 1xl0 s TYR 83 Cb -0.14 -2.10 0.07 0.00 -0.40 0.00 0.00 41.96 39.38 1xl0 s TYR 83 CO 0.02 -0.78 0.52 -0.47 -1.57 0.00 0.00 175.55 173.27 1xl0 s TYR 84 N 1.28 3.15 -0.22 2.71 5.04 -0.31 -0.76 117.35 128.24 1xl0 s TYR 84 Ca -0.04 -0.78 -0.19 0.00 -2.44 0.00 0.00 57.07 53.63 1xl0 s TYR 84 Cb -0.19 -3.40 -0.03 0.00 0.35 0.00 0.00 41.96 38.69 1xl0 s TYR 84 CO -0.02 -0.94 0.55 -0.51 -1.34 0.00 0.00 175.55 173.29 1xl0 s LEU 85 N 2.13 4.12 -0.07 6.97 1.02 -0.53 -1.60 118.68 130.70 1xl0 s LEU 85 Ca 0.09 0.67 -0.12 0.00 0.02 0.00 0.00 54.13 54.79 1xl0 s LEU 85 Cb -0.22 -2.74 0.03 0.00 0.02 0.00 0.00 46.19 43.27 1xl0 s LEU 85 CO 0.09 -0.24 0.30 -0.55 0.02 0.00 0.00 176.35 175.97 1xl0 s SER 86 N 1.28 -0.26 0.00 2.29 0.15 -0.88 -1.79 113.70 114.49 1xl0 s SER 86 Ca 0.24 0.39 0.29 0.00 0.70 0.00 0.00 55.95 57.58 1xl0 s SER 86 Cb -0.16 0.50 1.26 0.00 -1.71 0.00 0.00 66.02 65.92 1xl0 s SER 86 CO 0.09 -0.25 1.87 0.18 1.20 0.00 0.00 173.24 176.33 1xl0 n LEU 87 N 2.24 0.90 -3.83 3.45 4.32 -1.26 -4.10 117.00 118.72 1xl0 n LEU 87 Ca -0.17 -0.26 -0.13 0.00 -0.02 0.00 0.00 56.01 55.43 1xl0 n LEU 87 Cb 0.57 -0.05 -0.15 0.00 -1.62 0.00 0.00 43.42 42.18 1xl0 n LEU 87 CO 0.18 0.15 -0.35 -1.61 -1.22 0.00 0.00 177.39 174.55 1xl0 s GLU 88 N -2.14 -0.01 -0.29 3.23 2.02 -1.26 -4.67 118.70 115.58 1xl0 s GLU 88 Ca 0.37 0.08 -0.03 0.00 0.02 0.00 0.00 54.97 55.41 1xl0 s GLU 88 Cb 0.21 -0.10 0.10 0.00 0.10 0.00 0.00 34.13 34.45 1xl0 s GLU 88 CO 0.39 -0.07 0.15 -0.06 0.02 0.00 0.00 175.26 175.69 1xl0 s PHE 89 N 0.44 0.24 -1.12 1.61 0.40 0.22 -4.58 117.98 115.19 1xl0 s PHE 89 Ca -0.04 -0.82 -0.15 0.00 -0.60 0.00 0.00 56.93 55.33 1xl0 s PHE 89 Cb -0.05 -0.85 0.17 0.00 0.51 0.00 0.00 43.02 42.80 1xl0 s PHE 89 CO -0.01 -0.84 1.31 -0.47 0.70 0.00 0.00 175.22 175.91 1xl0 s TYR 90 N 2.11 3.49 0.16 0.36 6.14 -0.34 -3.43 117.35 125.83 1xl0 s TYR 90 Ca 0.09 -2.01 0.01 0.00 0.64 0.00 0.00 57.07 55.81 1xl0 s TYR 90 Cb -0.16 -4.25 0.00 0.00 0.42 0.00 0.00 41.96 37.97 1xl0 s TYR 90 CO -0.36 -1.37 1.38 0.52 0.64 0.00 0.00 175.55 176.37 1xl0 h MET 91 N 7.52 0.25 0.00 4.97 2.86 -1.80 -3.41 114.93 125.32 1xl0 h MET 91 Ca 0.26 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1xl0 h MET 91 Cb 0.91 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.64 1xl0 h MET 91 CO 1.18 0.96 0.00 0.41 1.06 0.00 0.00 176.91 180.52 1xl0 n GLY 92 N 0.81 -0.23 3.83 8.32 0.00 -0.86 -4.80 105.19 112.27 1xl0 n GLY 92 Ca -0.04 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 1xl0 n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xl0 s ARG 93 N 0.00 3.78 -0.04 1.61 0.52 -1.26 -1.73 118.95 121.82 1xl0 s ARG 93 Ca 0.00 1.03 0.08 0.00 -0.52 0.00 0.00 55.73 56.32 1xl0 s ARG 93 Cb 0.00 -2.11 -0.11 0.00 0.52 0.00 0.00 34.95 33.25 1xl0 s ARG 93 CO 0.00 -0.42 0.11 2.41 0.02 0.00 0.00 175.30 177.42 1xl0 n THR 94 N -1.69 0.26 0.28 0.02 -1.04 -1.26 -4.66 114.28 106.19 1xl0 n THR 94 Ca 0.07 -0.26 -0.17 0.00 -2.04 0.00 0.00 64.05 61.65 1xl0 n THR 94 Cb 0.54 -0.23 -0.09 0.00 -1.82 0.00 0.00 70.33 68.72 1xl0 n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1xl0 h LEU 95 N 0.00 -1.29 -0.73 -4.42 5.85 -1.96 -1.14 115.31 111.62 1xl0 h LEU 95 Ca -0.10 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1xl0 h LEU 95 Cb 0.92 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 1xl0 h LEU 95 CO 0.01 -0.62 0.31 -0.61 -0.34 0.00 0.00 178.44 177.18 1xl0 h GLN 96 N -0.94 1.08 -0.90 1.25 4.15 -1.96 -2.03 115.11 115.75 1xl0 h GLN 96 Ca -0.06 -0.18 0.04 0.00 0.77 0.00 0.00 58.65 59.22 1xl0 h GLN 96 Cb 0.82 -0.18 -0.05 0.00 0.21 0.00 0.00 27.48 28.27 1xl0 h GLN 96 CO -0.05 0.87 0.59 -0.97 -1.93 0.00 0.00 178.83 177.34 1xl0 h ASN 97 N 1.04 0.95 -0.43 -0.69 -0.73 -1.80 0.15 115.58 114.07 1xl0 h ASN 97 Ca 0.25 -0.01 -0.10 0.00 1.87 0.00 0.00 56.30 58.31 1xl0 h ASN 97 Cb 0.18 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.54 1xl0 h ASN 97 CO -0.02 0.64 -0.13 0.74 -0.37 0.00 0.00 177.43 178.28 1xl0 h THR 98 N 1.10 1.27 -0.64 -3.57 2.02 -0.74 -2.09 112.91 110.26 1xl0 h THR 98 Ca 0.36 -1.26 -0.05 0.00 0.77 0.00 0.00 66.41 66.24 1xl0 h THR 98 Cb 0.06 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1xl0 h THR 98 CO -0.12 0.43 0.21 0.24 0.37 0.00 0.00 175.52 176.65 1xl0 h MET 99 N 0.68 0.99 -0.11 6.66 2.86 -0.66 -1.68 114.93 123.67 1xl0 h MET 99 Ca 0.11 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1xl0 h MET 99 Cb 0.68 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1xl0 h MET 99 CO 0.05 0.87 0.06 0.28 1.06 0.00 0.00 176.91 179.23 1xl0 h VAL 100 N 0.92 1.02 0.00 -2.22 2.07 -0.88 0.15 116.25 117.31 1xl0 h VAL 100 Ca 0.21 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 1xl0 h VAL 100 Cb 0.28 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1xl0 h VAL 100 CO -0.01 0.02 -0.01 0.78 0.02 0.00 0.00 177.57 178.38 1xl0 h ASN 101 N 0.13 0.00 -0.18 0.57 4.21 -1.25 -2.70 115.58 116.36 1xl0 h ASN 101 Ca 0.04 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.55 1xl0 h ASN 101 Cb -0.01 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.19 1xl0 h ASN 101 CO -0.02 0.01 0.00 0.18 -1.29 0.00 0.00 177.43 176.31 1xl0 n LEU 102 N -3.10 2.89 -3.64 1.61 4.32 -0.65 -0.65 117.00 117.78 1xl0 n LEU 102 Ca 0.01 -1.27 -0.23 0.00 -0.02 0.00 0.00 56.01 54.49 1xl0 n LEU 102 Cb 0.32 -0.11 0.06 0.00 -1.62 0.00 0.00 43.42 42.07 1xl0 n LEU 102 CO 0.28 0.57 0.15 0.00 -1.22 0.00 0.00 177.39 177.17 1xl0 n ALA 103 N 1.15 -1.56 0.33 -1.18 0.00 0.10 -4.91 120.51 114.44 1xl0 n ALA 103 Ca 0.14 0.18 0.04 0.00 0.00 0.00 0.00 53.44 53.80 1xl0 n ALA 103 Cb 0.51 -4.15 0.02 0.00 0.00 0.00 0.00 19.45 15.82 1xl0 n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xl0 n LEU 104 N -4.65 1.37 -0.05 0.00 4.32 0.30 -4.55 117.00 113.73 1xl0 n LEU 104 Ca -0.09 -0.89 -0.08 0.00 -0.02 0.00 0.00 56.01 54.93 1xl0 n LEU 104 Cb 0.59 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.37 1xl0 n LEU 104 CO 0.67 0.28 0.79 -0.08 -1.22 0.00 0.00 177.39 177.82 1xl0 h GLU 105 N 1.22 -0.07 -0.51 3.23 4.81 -1.63 -0.14 114.58 121.49 1xl0 h GLU 105 Ca 0.00 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1xl0 h GLU 105 Cb 0.30 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1xl0 h GLU 105 CO 0.00 -0.05 -0.17 -0.91 -0.73 0.00 0.00 179.01 177.15 1xl0 h ASN 106 N -0.08 1.03 -0.13 1.04 2.35 -1.33 -0.37 115.58 118.10 1xl0 h ASN 106 Ca 0.12 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 1xl0 h ASN 106 Cb 0.26 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1xl0 h ASN 106 CO -0.27 1.17 0.08 0.00 -1.65 0.00 0.00 177.43 176.75 1xl0 h ALA 107 N 0.91 0.16 -0.21 -0.83 0.00 -1.60 0.17 119.26 117.86 1xl0 h ALA 107 Ca 0.12 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1xl0 h ALA 107 Cb 0.74 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1xl0 h ALA 107 CO 0.06 -0.35 -0.21 0.00 0.00 0.00 0.00 179.25 178.75 1xl0 h ASP 109 N 0.33 0.41 0.07 0.00 3.58 -0.50 -1.18 116.42 119.14 1xl0 h ASP 109 Ca 0.06 -0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.25 1xl0 h ASP 109 Cb 0.56 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1xl0 h ASP 109 CO 0.04 0.56 -0.03 -0.08 -2.88 0.00 0.00 179.24 176.85 1xl0 h GLU 110 N 0.25 -0.09 -0.44 0.28 4.57 -0.27 -1.31 114.58 117.57 1xl0 h GLU 110 Ca 0.08 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.34 1xl0 h GLU 110 Cb 0.32 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.87 1xl0 h GLU 110 CO 0.00 0.18 0.05 0.00 -1.18 0.00 0.00 179.01 178.07 1xl0 h ALA 111 N 0.54 0.46 -0.06 2.92 0.00 -0.55 0.72 119.26 123.29 1xl0 h ALA 111 Ca -0.01 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1xl0 h ALA 111 Cb 0.32 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1xl0 h ALA 111 CO 0.02 -0.35 -0.43 1.79 0.00 0.00 0.00 179.25 180.28 1xl0 h THR 112 N 0.18 1.31 -0.04 0.00 1.35 -1.22 -2.27 112.91 112.22 1xl0 h THR 112 Ca 0.22 -1.53 -0.00 0.00 -0.55 0.00 0.00 66.41 64.55 1xl0 h THR 112 Cb 0.30 1.74 -0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1xl0 h THR 112 CO -0.32 0.45 0.02 0.22 -0.25 0.00 0.00 175.52 175.64 1xl0 h TYR 113 N 0.12 0.06 0.00 4.73 3.20 0.08 0.38 116.97 125.53 1xl0 h TYR 113 Ca 0.01 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1xl0 h TYR 113 Cb 0.81 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.06 1xl0 h TYR 113 CO 0.01 0.12 -0.08 1.96 -1.64 0.00 0.00 178.16 178.54 1xl0 h GLN 114 N -0.03 0.00 -0.06 1.82 4.20 -0.73 0.15 115.11 120.46 1xl0 h GLN 114 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1xl0 h GLN 114 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1xl0 h GLN 114 CO -0.00 0.08 0.00 1.28 -0.67 0.00 0.00 178.83 179.52 1xl0 n LEU 115 N -3.70 0.99 -0.29 1.46 4.32 -0.87 -4.90 117.00 114.02 1xl0 n LEU 115 Ca -0.02 -0.38 -0.03 0.00 -0.02 0.00 0.00 56.01 55.56 1xl0 n LEU 115 Cb 0.18 -0.04 -0.00 0.00 -1.62 0.00 0.00 43.42 41.94 1xl0 n LEU 115 CO 0.29 0.19 -0.03 0.61 -1.22 0.00 0.00 177.39 177.23 1xl0 n GLY 116 N 1.05 0.37 3.37 -0.72 0.00 0.53 -5.05 105.19 104.72 1xl0 n GLY 116 Ca 0.18 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 1xl0 n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xl0 s LEU 117 N -0.77 2.32 -0.43 0.99 1.43 0.13 -5.00 118.68 117.34 1xl0 s LEU 117 Ca 0.00 -0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 52.21 1xl0 s LEU 117 Cb 0.00 -1.14 0.04 0.00 0.03 0.00 0.00 46.19 45.12 1xl0 s LEU 117 CO 0.00 0.15 0.35 -0.62 0.23 0.00 0.00 176.35 176.46 1xl0 s ASP 118 N -2.03 6.13 0.33 2.29 3.68 -1.26 -3.36 116.67 122.46 1xl0 s ASP 118 Ca 0.12 -1.03 0.04 0.00 2.13 0.00 0.00 52.55 53.82 1xl0 s ASP 118 Cb -0.10 -2.18 0.65 0.00 -1.45 0.00 0.00 42.92 39.85 1xl0 s ASP 118 CO 0.06 -0.54 1.93 -0.03 0.13 0.00 0.00 175.17 176.72 1xl0 h MET 119 N 8.69 0.85 -0.71 4.34 1.85 -1.90 -1.67 114.93 126.38 1xl0 h MET 119 Ca -0.27 -0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 58.76 1xl0 h MET 119 Cb 1.12 -0.19 -0.03 0.00 0.43 0.00 0.00 31.60 32.92 1xl0 h MET 119 CO 0.79 0.56 0.40 0.93 -0.40 0.00 0.00 176.91 179.20 1xl0 h GLU 120 N 0.87 0.96 -0.50 0.39 5.08 -1.99 -0.11 114.58 119.28 1xl0 h GLU 120 Ca 0.36 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.54 1xl0 h GLU 120 Cb 0.28 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1xl0 h GLU 120 CO -0.13 0.69 -0.04 1.49 -1.00 0.00 0.00 179.01 180.02 1xl0 h GLU 121 N 0.98 0.87 -0.33 2.33 4.81 -1.74 -2.75 114.58 118.75 1xl0 h GLU 121 Ca 0.25 -0.26 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 1xl0 h GLU 121 Cb -0.01 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1xl0 h GLU 121 CO -0.04 0.89 -0.41 -0.07 -0.73 0.00 0.00 179.01 178.65 1xl0 h LEU 122 N 0.80 0.86 -1.50 1.64 4.07 -0.97 -3.09 115.31 117.13 1xl0 h LEU 122 Ca 0.15 -0.40 -0.02 0.00 0.08 0.00 0.00 57.88 57.68 1xl0 h LEU 122 Cb 0.53 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.01 1xl0 h LEU 122 CO 0.03 1.15 0.06 -0.33 -1.08 0.00 0.00 178.44 178.28 1xl0 h GLU 123 N 0.66 0.39 0.00 1.13 5.08 -0.83 -1.53 114.58 119.47 1xl0 h GLU 123 Ca 0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xl0 h GLU 123 Cb 0.97 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1xl0 h GLU 123 CO 0.09 0.37 0.00 0.39 -1.00 0.00 0.00 179.01 178.86 1xl0 n GLU 124 N -4.38 0.14 0.11 2.33 -0.58 -1.06 -2.59 120.64 114.61 1xl0 n GLU 124 Ca 0.01 0.42 -0.01 0.00 -0.42 0.00 0.00 57.16 57.16 1xl0 n GLU 124 Cb 0.16 -1.79 -0.03 0.00 -0.57 0.00 0.00 31.44 29.21 1xl0 n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1xl0 h ILE 125 N 0.00 1.20 -3.64 -3.67 2.04 -1.36 -3.46 117.51 108.62 1xl0 h ILE 125 Ca 0.00 -2.69 -0.53 0.00 1.00 0.00 0.00 64.86 62.64 1xl0 h ILE 125 Cb 0.27 2.59 0.07 0.00 -0.74 0.00 0.00 36.82 39.01 1xl0 h ILE 125 CO 0.00 0.68 0.74 -0.70 0.00 0.00 0.00 178.15 178.87 1xl0 s GLU 126 N -2.86 4.25 0.29 2.37 2.12 -1.07 -4.99 118.70 118.81 1xl0 s GLU 126 Ca 0.03 2.36 -0.26 0.00 0.36 0.00 0.00 54.97 57.45 1xl0 s GLU 126 Cb 0.08 -3.06 -0.09 0.00 0.26 0.00 0.00 34.13 31.32 1xl0 s GLU 126 CO 0.78 -0.39 0.91 -1.21 -0.54 0.00 0.00 175.26 174.80 1xl0 s GLU 127 N -1.15 4.59 0.21 4.30 0.41 -1.26 -4.96 118.70 120.84 1xl0 s GLU 127 Ca 0.55 1.29 -0.30 0.00 -0.41 0.00 0.00 54.97 56.11 1xl0 s GLU 127 Cb -0.43 -2.92 -0.09 0.00 -1.78 0.00 0.00 34.13 28.92 1xl0 s GLU 127 CO 0.51 0.35 1.24 -0.51 -0.49 0.00 0.00 175.26 176.36 1xl0 s ASP 128 N -1.52 7.00 -0.87 -0.19 1.11 -1.26 -4.56 116.67 116.38 1xl0 s ASP 128 Ca 0.47 2.35 -0.22 0.00 0.18 0.00 0.00 52.55 55.33 1xl0 s ASP 128 Cb -0.20 -2.61 0.08 0.00 1.07 0.00 0.00 42.92 41.26 1xl0 s ASP 128 CO 0.25 -0.43 1.20 0.00 1.18 0.00 0.00 175.17 177.37 1xl0 s ALA 129 N -0.18 3.05 -1.09 5.23 0.00 -0.70 -4.87 121.76 123.20 1xl0 s ALA 129 Ca 0.53 -2.24 -0.03 0.00 0.00 0.00 0.00 51.96 50.22 1xl0 s ALA 129 Cb -0.35 -4.17 0.21 0.00 0.00 0.00 0.00 23.12 18.82 1xl0 s ALA 129 CO 0.39 -3.15 2.17 0.41 0.00 0.00 0.00 175.76 175.58 1xl0 n GLY 130 N 5.84 5.55 1.90 0.00 0.00 -1.26 -2.04 105.19 115.17 1xl0 n GLY 130 Ca 0.18 -2.29 -0.15 0.00 0.00 0.00 0.00 46.02 43.76 1xl0 n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xl0 n LEU 131 N 0.75 6.31 -3.64 0.99 4.77 -1.22 -0.73 117.00 124.23 1xl0 n LEU 131 Ca 0.54 -3.25 -0.10 0.00 -0.03 0.00 0.00 56.01 53.18 1xl0 n LEU 131 Cb 0.28 -1.09 -0.02 0.00 -2.33 0.00 0.00 43.42 40.25 1xl0 n LEU 131 CO 0.57 1.25 0.39 -0.83 -1.33 0.00 0.00 177.39 177.45 1xl0 s GLY 132 N 0.46 -0.32 -0.16 -0.72 0.00 -1.26 -0.61 107.32 104.71 1xl0 s GLY 132 Ca 0.30 0.06 0.09 0.00 0.00 0.00 0.00 44.72 45.17 1xl0 s GLY 132 CO -0.02 -0.02 0.20 0.70 0.00 0.00 0.00 173.10 173.96 1xl0 n ASN 133 N -0.40 1.03 0.00 1.64 3.02 -1.26 -4.44 115.26 114.85 1xl0 n ASN 133 Ca -0.11 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1xl0 n ASN 133 Cb 0.62 0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.89 1xl0 n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xl0 n GLY 134 N 1.86 0.06 0.32 7.41 0.00 -1.26 -4.91 105.19 108.67 1xl0 n GLY 134 Ca -0.32 0.46 0.07 0.00 0.00 0.00 0.00 46.02 46.23 1xl0 n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xl0 h GLY 135 N 0.00 1.46 0.83 -0.02 0.00 -1.98 0.05 103.07 103.41 1xl0 h GLY 135 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1xl0 h GLY 135 CO 0.00 0.04 0.03 -2.00 0.00 0.00 0.00 176.54 174.62 1xl0 h LEU 136 N 0.76 0.20 -0.74 3.11 5.85 -1.99 -0.23 115.31 122.27 1xl0 h LEU 136 Ca 0.47 -0.23 -0.13 0.00 0.84 0.00 0.00 57.88 58.83 1xl0 h LEU 136 Cb 0.58 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1xl0 h LEU 136 CO -0.32 0.38 -0.46 1.23 -0.34 0.00 0.00 178.44 178.93 1xl0 h GLY 137 N 0.02 0.43 1.54 3.75 0.00 -1.74 -2.88 103.07 104.18 1xl0 h GLY 137 Ca 0.04 -0.45 -0.14 0.00 0.00 0.00 0.00 47.33 46.79 1xl0 h GLY 137 CO 0.00 0.40 -0.47 -0.09 0.00 0.00 0.00 176.54 176.38 1xl0 h ARG 138 N 0.32 0.50 -0.64 4.80 1.12 -0.89 -0.81 114.38 118.79 1xl0 h ARG 138 Ca 0.02 -0.28 -0.00 0.00 -1.11 0.00 0.00 59.98 58.61 1xl0 h ARG 138 Cb 0.93 0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.88 1xl0 h ARG 138 CO 0.08 0.87 0.39 1.25 -3.11 0.00 0.00 179.97 179.44 1xl0 h LEU 139 N 0.40 0.76 -0.98 3.80 5.85 -0.91 -0.17 115.31 124.07 1xl0 h LEU 139 Ca 0.02 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.72 1xl0 h LEU 139 Cb 0.98 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 1xl0 h LEU 139 CO 0.09 0.59 0.64 0.00 -0.34 0.00 0.00 178.44 179.42 1xl0 h ALA 140 N 1.20 1.28 -0.24 1.25 0.00 -1.31 0.68 119.26 122.13 1xl0 h ALA 140 Ca 0.23 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1xl0 h ALA 140 Cb -0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1xl0 h ALA 140 CO -0.04 0.55 -0.01 0.00 0.00 0.00 0.00 179.25 179.75 1xl0 h ALA 141 N 1.39 0.32 -0.83 0.00 0.00 -0.98 -1.58 119.26 117.57 1xl0 h ALA 141 Ca 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1xl0 h ALA 141 Cb -0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1xl0 h ALA 141 CO -0.11 0.06 0.43 0.00 0.00 0.00 0.00 179.25 179.63 1xl0 h PHE 143 N 1.17 0.87 -0.89 0.00 -1.00 -0.66 -1.07 116.94 115.35 1xl0 h PHE 143 Ca 0.29 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 61.05 1xl0 h PHE 143 Cb 0.06 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 39.30 1xl0 h PHE 143 CO 0.01 0.60 0.49 -0.07 -1.61 0.00 0.00 178.31 177.73 1xl0 h LEU 144 N 0.88 1.11 -0.16 1.54 3.38 -0.89 0.11 115.31 121.29 1xl0 h LEU 144 Ca 0.23 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1xl0 h LEU 144 Cb -0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1xl0 h LEU 144 CO -0.04 0.89 0.08 -0.78 0.09 0.00 0.00 178.44 178.68 1xl0 h ASP 145 N 1.24 0.21 -0.53 -0.43 3.58 -1.05 -2.28 116.42 117.15 1xl0 h ASP 145 Ca 0.31 -0.10 -0.09 0.00 0.42 0.00 0.00 57.03 57.58 1xl0 h ASP 145 Cb 0.02 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 1xl0 h ASP 145 CO -0.05 0.25 0.01 0.28 -2.88 0.00 0.00 179.24 176.84 1xl0 h SER 146 N 0.15 0.94 -0.34 2.28 0.02 -0.80 -1.36 113.55 114.44 1xl0 h SER 146 Ca 0.06 -0.25 -0.05 0.00 -0.84 0.00 0.00 61.79 60.71 1xl0 h SER 146 Cb 0.09 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1xl0 h SER 146 CO -0.01 1.00 0.06 0.24 -1.14 0.00 0.00 176.83 176.98 1xl0 h MET 147 N 0.90 0.65 -0.11 3.45 2.86 -0.66 0.73 114.93 122.74 1xl0 h MET 147 Ca 0.17 -0.13 -0.23 0.00 -2.06 0.00 0.00 59.70 57.45 1xl0 h MET 147 Cb 0.51 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 32.08 1xl0 h MET 147 CO 0.03 0.62 -0.83 0.00 1.06 0.00 0.00 176.91 177.79 1xl0 h ALA 148 N 1.45 0.31 0.00 6.32 0.00 -1.24 -0.49 119.26 125.61 1xl0 h ALA 148 Ca 0.14 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1xl0 h ALA 148 Cb 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1xl0 h ALA 148 CO 0.00 0.70 -0.23 1.15 0.00 0.00 0.00 179.25 180.87 1xl0 h THR 149 N 0.48 0.76 -0.60 0.00 2.02 -0.80 -2.41 112.91 112.36 1xl0 h THR 149 Ca -0.07 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.15 1xl0 h THR 149 Cb 1.46 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 1xl0 h THR 149 CO 0.17 0.23 0.00 0.18 0.37 0.00 0.00 175.52 176.47 1xl0 n LEU 150 N -3.67 4.56 -2.85 2.58 4.77 0.21 -4.74 117.00 117.86 1xl0 n LEU 150 Ca -0.01 -2.30 -0.21 0.00 -0.03 0.00 0.00 56.01 53.46 1xl0 n LEU 150 Cb 0.35 -0.57 0.01 0.00 -2.33 0.00 0.00 43.42 40.88 1xl0 n LEU 150 CO 0.34 0.74 -0.09 0.61 -1.33 0.00 0.00 177.39 177.65 1xl0 n GLY 151 N 1.03 -0.51 3.84 -0.72 0.00 -0.91 -0.12 105.19 107.80 1xl0 n GLY 151 Ca 0.24 0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 1xl0 n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xl0 s LEU 152 N -6.36 4.33 -1.34 0.99 1.43 -0.21 -4.67 118.68 112.84 1xl0 s LEU 152 Ca 0.21 1.15 -0.15 0.00 -1.03 0.00 0.00 54.13 54.31 1xl0 s LEU 152 Cb -0.10 -3.35 0.08 0.00 0.03 0.00 0.00 46.19 42.86 1xl0 s LEU 152 CO 0.25 0.08 1.90 0.00 0.23 0.00 0.00 176.35 178.81 1xl0 n ALA 153 N 0.75 4.55 -2.66 4.21 0.00 -1.26 -4.66 120.51 121.45 1xl0 n ALA 153 Ca -0.04 -3.97 -0.31 0.00 0.00 0.00 0.00 53.44 49.11 1xl0 n ALA 153 Cb 0.52 -3.43 -0.09 0.00 0.00 0.00 0.00 19.45 16.45 1xl0 n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xl0 s ALA 154 N 3.01 3.20 -0.05 0.00 0.00 -1.26 -1.21 121.76 125.44 1xl0 s ALA 154 Ca 0.48 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.39 1xl0 s ALA 154 Cb 0.07 -1.19 0.01 0.00 0.00 0.00 0.00 23.12 22.02 1xl0 s ALA 154 CO -0.00 0.66 -0.09 0.71 0.00 0.00 0.00 175.76 177.04 1xl0 s TYR 155 N -1.18 1.13 -0.12 0.00 2.02 0.25 -3.99 117.35 115.46 1xl0 s TYR 155 Ca 0.22 -0.37 -0.14 0.00 -0.37 0.00 0.00 57.07 56.41 1xl0 s TYR 155 Cb -0.11 -0.86 -0.05 0.00 -0.40 0.00 0.00 41.96 40.54 1xl0 s TYR 155 CO 0.14 -0.21 0.33 0.20 -1.57 0.00 0.00 175.55 174.44 1xl0 s GLY 156 N 0.65 2.29 -0.11 0.71 0.00 -0.78 -1.16 107.32 108.92 1xl0 s GLY 156 Ca -0.11 -0.38 0.02 0.00 0.00 0.00 0.00 44.72 44.25 1xl0 s GLY 156 CO 0.02 0.35 -0.17 -0.19 0.00 0.00 0.00 173.10 173.11 1xl0 s TYR 157 N 0.02 2.10 0.00 1.90 2.02 -0.63 0.16 117.35 122.92 1xl0 s TYR 157 Ca 0.19 -0.98 0.00 0.00 -0.37 0.00 0.00 57.07 55.91 1xl0 s TYR 157 Cb -0.14 -1.49 0.00 0.00 -0.40 0.00 0.00 41.96 39.93 1xl0 s TYR 157 CO 0.07 -0.48 0.00 0.41 -1.57 0.00 0.00 175.55 173.98 1xl0 n GLY 158 N 4.10 3.80 3.36 0.71 0.00 -0.84 -2.06 105.19 114.26 1xl0 n GLY 158 Ca -0.19 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 1xl0 n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xl0 s ILE 159 N -1.54 2.61 -1.02 -0.61 1.01 -1.26 -1.22 121.20 119.16 1xl0 s ILE 159 Ca 0.00 -0.87 -0.19 0.00 0.00 0.00 0.00 60.65 59.59 1xl0 s ILE 159 Cb 0.00 -2.01 0.12 0.00 0.01 0.00 0.00 42.46 40.58 1xl0 s ILE 159 CO 0.00 0.57 1.29 -0.60 0.00 0.00 0.00 174.94 176.20 1xl0 s ARG 160 N -0.27 3.71 0.31 2.79 3.52 0.06 -4.76 118.95 124.29 1xl0 s ARG 160 Ca 0.01 -1.78 -0.29 0.00 -0.13 0.00 0.00 55.73 53.54 1xl0 s ARG 160 Cb -0.13 -5.08 -0.10 0.00 -1.56 0.00 0.00 34.95 28.08 1xl0 s ARG 160 CO 0.03 -1.90 1.28 0.71 -0.81 0.00 0.00 175.30 174.61 1xl0 s TYR 161 N 3.09 3.15 0.20 5.12 2.02 -1.26 -4.75 117.35 124.92 1xl0 s TYR 161 Ca 0.39 1.43 0.00 0.00 -0.37 0.00 0.00 57.07 58.52 1xl0 s TYR 161 Cb -0.03 -3.61 0.13 0.00 -0.40 0.00 0.00 41.96 38.05 1xl0 s TYR 161 CO -0.07 -1.68 1.49 1.49 -1.57 0.00 0.00 175.55 175.21 1xl0 h GLU 162 N 3.69 0.36 -4.65 -0.62 4.81 -0.72 -3.41 114.58 114.04 1xl0 h GLU 162 Ca -0.48 -0.27 -0.59 0.00 -0.13 0.00 0.00 59.36 57.89 1xl0 h GLU 162 Cb 1.22 0.05 -0.36 0.00 0.63 0.00 0.00 28.75 30.30 1xl0 h GLU 162 CO 0.67 0.90 -0.83 -0.06 -0.73 0.00 0.00 179.01 178.96 1xl0 s PHE 163 N -3.71 2.03 0.00 0.92 0.40 0.37 -4.37 117.98 113.62 1xl0 s PHE 163 Ca -0.05 -1.07 0.00 0.00 -0.60 0.00 0.00 56.93 55.21 1xl0 s PHE 163 Cb 0.11 -1.50 0.00 0.00 0.51 0.00 0.00 43.02 42.14 1xl0 s PHE 163 CO 0.82 -0.59 0.00 0.41 0.70 0.00 0.00 175.22 176.57 1xl0 n GLY 164 N 4.59 0.76 3.73 4.36 0.00 -1.22 -1.88 105.19 115.53 1xl0 n GLY 164 Ca -0.17 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 1xl0 n GLY 164 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xl0 n ILE 165 N 0.00 0.77 -1.50 -0.61 0.13 0.10 -4.57 119.36 113.67 1xl0 n ILE 165 Ca 0.00 -0.19 -0.36 0.00 -1.10 0.00 0.00 62.75 61.10 1xl0 n ILE 165 Cb 0.00 -1.91 0.08 0.00 -0.84 0.00 0.00 39.64 36.97 1xl0 n ILE 165 CO 0.00 0.00 0.00 2.22 2.80 0.00 0.00 176.55 181.57 1xl0 n PHE 166 N 2.55 1.21 -2.92 9.51 1.16 -1.26 -4.56 117.46 123.14 1xl0 n PHE 166 Ca 0.11 0.41 -0.40 0.00 -1.87 0.00 0.00 57.45 55.69 1xl0 n PHE 166 Cb 0.36 -2.16 -0.04 0.00 -1.61 0.00 0.00 39.48 36.02 1xl0 n PHE 166 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 1xl0 s ASN 167 N -1.54 7.20 -0.17 5.98 0.01 -0.33 -4.89 114.94 121.19 1xl0 s ASN 167 Ca 0.77 1.44 -0.16 0.00 -0.71 0.00 0.00 52.86 54.20 1xl0 s ASN 167 Cb -0.36 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 38.77 1xl0 s ASN 167 CO 0.46 -0.10 0.38 -1.58 -1.51 0.00 0.00 177.10 174.76 1xl0 s GLN 168 N 0.47 4.23 -0.01 -0.60 0.74 -1.26 -1.98 119.66 121.25 1xl0 s GLN 168 Ca 0.42 0.22 0.07 0.00 0.05 0.00 0.00 55.36 56.12 1xl0 s GLN 168 Cb -0.20 -3.49 -0.02 0.00 1.10 0.00 0.00 33.01 30.40 1xl0 s GLN 168 CO 0.23 0.08 -0.22 0.15 -0.55 0.00 0.00 175.29 174.98 1xl0 s LYS 169 N 0.94 2.19 -0.26 1.67 -0.14 -0.30 -3.78 119.74 120.06 1xl0 s LYS 169 Ca 0.20 -0.89 -0.07 0.00 -1.36 0.00 0.00 55.97 53.85 1xl0 s LYS 169 Cb -0.14 -2.15 -0.02 0.00 -1.68 0.00 0.00 37.83 33.84 1xl0 s LYS 169 CO 0.07 0.57 0.07 0.42 -0.76 0.00 0.00 175.35 175.72 1xl0 s ILE 170 N -0.70 4.19 -0.15 2.17 -1.09 -1.26 0.35 121.20 124.71 1xl0 s ILE 170 Ca 0.11 -0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.21 1xl0 s ILE 170 Cb -0.10 -3.01 0.02 0.00 -1.58 0.00 0.00 42.46 37.79 1xl0 s ILE 170 CO 0.00 0.27 -0.13 0.00 -1.23 0.00 0.00 174.94 173.86 1xl0 n GLY 172 N 4.80 -0.12 2.59 0.00 0.00 -1.26 -0.92 105.19 110.27 1xl0 n GLY 172 Ca -0.16 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1xl0 n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xl0 n GLY 173 N -0.96 1.31 3.82 -0.02 0.00 -1.26 -5.03 105.19 103.05 1xl0 n GLY 173 Ca -0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1xl0 n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xl0 s TRP 174 N -3.53 3.29 0.09 1.61 0.52 -0.10 -3.80 118.94 117.02 1xl0 s TRP 174 Ca 0.00 0.13 -0.30 0.00 0.02 0.00 0.00 56.10 55.95 1xl0 s TRP 174 Cb 0.00 -1.67 -0.05 0.00 -1.15 0.00 0.00 33.47 30.60 1xl0 s TRP 174 CO 0.00 0.54 1.05 -1.14 0.02 0.00 0.00 176.95 177.43 1xl0 s GLN 175 N -2.41 4.58 -0.00 4.98 0.74 -1.26 -0.08 119.66 126.20 1xl0 s GLN 175 Ca 0.31 1.58 0.08 0.00 0.05 0.00 0.00 55.36 57.38 1xl0 s GLN 175 Cb -0.12 -3.37 -0.02 0.00 1.10 0.00 0.00 33.01 30.60 1xl0 s GLN 175 CO 0.24 0.01 -0.24 -1.64 -0.55 0.00 0.00 175.29 173.10 1xl0 s MET 176 N 0.40 1.88 -0.04 1.67 -1.94 0.16 -4.91 119.30 116.52 1xl0 s MET 176 Ca 0.51 -0.90 0.00 0.00 -1.71 0.00 0.00 55.69 53.60 1xl0 s MET 176 Cb -0.26 -1.86 -0.03 0.00 2.01 0.00 0.00 34.83 34.69 1xl0 s MET 176 CO 0.30 0.51 -0.01 -1.21 -0.01 0.00 0.00 175.02 174.60 1xl0 s GLU 177 N -0.70 2.84 0.00 2.03 8.01 -1.26 -1.15 118.70 128.48 1xl0 s GLU 177 Ca 0.09 -0.53 -0.00 0.00 0.01 0.00 0.00 54.97 54.54 1xl0 s GLU 177 Cb -0.09 -2.70 -0.00 0.00 -4.31 0.00 0.00 34.13 27.03 1xl0 s GLU 177 CO -0.00 0.66 0.00 -1.83 0.01 0.00 0.00 175.26 174.10 1xl0 s GLU 178 N -1.18 0.11 0.15 1.61 -1.05 -0.83 -4.99 118.70 112.52 1xl0 s GLU 178 Ca 0.16 -0.17 -0.34 0.00 -0.15 0.00 0.00 54.97 54.47 1xl0 s GLU 178 Cb -0.11 0.04 -0.15 0.00 -0.44 0.00 0.00 34.13 33.46 1xl0 s GLU 178 CO 0.06 -0.02 1.30 0.00 0.95 0.00 0.00 175.26 177.55 1xl0 n ALA 179 N 2.61 -0.32 -3.03 -0.84 0.00 -1.26 -1.18 120.51 116.50 1xl0 n ALA 179 Ca -0.16 0.47 -0.44 0.00 0.00 0.00 0.00 53.44 53.31 1xl0 n ALA 179 Cb 0.58 -2.12 -0.01 0.00 0.00 0.00 0.00 19.45 17.91 1xl0 n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xl0 s ASP 180 N 0.29 7.01 -1.49 0.00 3.68 -1.26 -4.68 116.67 120.21 1xl0 s ASP 180 Ca 0.76 -2.88 -0.10 0.00 2.13 0.00 0.00 52.55 52.46 1xl0 s ASP 180 Cb -0.83 -2.36 0.01 0.00 -1.45 0.00 0.00 42.92 38.29 1xl0 s ASP 180 CO 0.49 -0.73 2.56 -0.67 0.13 0.00 0.00 175.17 176.95 1xl0 n ASP 181 N 5.26 6.98 0.21 -0.34 2.03 -1.26 -3.42 116.55 126.00 1xl0 n ASP 181 Ca 0.31 -2.80 0.15 0.00 0.52 0.00 0.00 54.79 52.96 1xl0 n ASP 181 Cb 0.44 -1.54 0.70 0.00 -0.72 0.00 0.00 41.12 40.00 1xl0 n ASP 181 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1xl0 h TRP 182 N 5.27 0.00 -0.09 -0.67 5.08 -1.91 -2.40 115.95 121.24 1xl0 h TRP 182 Ca 0.72 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.69 1xl0 h TRP 182 Cb 0.42 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.58 1xl0 h TRP 182 CO 1.66 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 180.10 1xl0 n LEU 183 N -2.55 2.60 -0.32 0.11 4.77 -1.26 -4.59 117.00 115.75 1xl0 n LEU 183 Ca -0.00 -0.92 -0.05 0.00 -0.03 0.00 0.00 56.01 55.00 1xl0 n LEU 183 Cb 0.14 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 1xl0 n LEU 183 CO 0.17 0.46 0.56 -0.09 -1.33 0.00 0.00 177.39 177.17 1xl0 h ARG 184 N 3.92 -0.08 -0.42 3.23 2.43 -1.82 0.79 114.38 122.43 1xl0 h ARG 184 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1xl0 h ARG 184 Cb 0.84 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1xl0 h ARG 184 CO 0.00 -0.05 0.00 0.66 -1.51 0.00 0.00 179.97 179.07 1xl0 n TYR 185 N -5.41 0.56 0.00 2.20 4.01 -1.26 -5.04 117.16 112.22 1xl0 n TYR 185 Ca 0.06 -0.28 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1xl0 n TYR 185 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 1xl0 n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xl0 n GLY 186 N 1.22 0.36 2.94 2.72 0.00 0.27 -4.96 105.19 107.74 1xl0 n GLY 186 Ca 0.15 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 1xl0 n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xl0 s ASN 187 N -1.48 4.34 0.49 1.61 2.47 -1.26 -4.87 114.94 116.23 1xl0 s ASN 187 Ca 0.00 -1.72 0.32 0.00 0.42 0.00 0.00 52.86 51.88 1xl0 s ASN 187 Cb 0.00 -1.33 1.38 0.00 -1.45 0.00 0.00 41.25 39.85 1xl0 s ASN 187 CO 0.00 -0.33 1.95 1.55 -3.72 0.00 0.00 177.10 176.55 1xl0 h PRO 188 N 7.82 0.00 0.00 0.43 0.13 -1.99 -3.17 132.00 135.23 1xl0 h PRO 188 Ca -0.11 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.99 1xl0 h PRO 188 Cb 1.03 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1xl0 h PRO 188 CO 0.48 0.00 -0.28 -1.49 -0.23 0.00 0.00 178.00 176.47 1xl0 h TRP 189 N 0.00 0.00 -3.13 1.56 4.06 -1.96 -3.47 115.95 113.02 1xl0 h TRP 189 Ca 0.00 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.45 1xl0 h TRP 189 Cb 0.41 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.57 1xl0 h TRP 189 CO 0.00 0.13 -0.13 -1.83 -3.56 0.00 0.00 178.44 173.05 1xl0 s GLU 190 N -3.16 3.58 -0.20 0.49 -1.05 -1.20 -4.22 118.70 112.94 1xl0 s GLU 190 Ca 0.05 -0.07 -0.01 0.00 -0.15 0.00 0.00 54.97 54.79 1xl0 s GLU 190 Cb 0.06 -2.63 0.06 0.00 -0.44 0.00 0.00 34.13 31.18 1xl0 s GLU 190 CO 0.71 0.16 -0.01 0.21 0.95 0.00 0.00 175.26 177.28 1xl0 s LYS 191 N -3.86 1.09 0.30 -4.83 2.47 1.00 -4.93 119.74 110.98 1xl0 s LYS 191 Ca 0.43 -0.63 -0.29 0.00 -1.56 0.00 0.00 55.97 53.92 1xl0 s LYS 191 Cb -0.10 -2.26 -0.10 0.00 -1.46 0.00 0.00 37.83 33.91 1xl0 s LYS 191 CO 0.33 -0.60 1.38 0.00 0.16 0.00 0.00 175.35 176.62 1xl0 s ALA 192 N 1.67 3.56 -0.49 3.13 0.00 -1.26 -0.71 121.76 127.65 1xl0 s ALA 192 Ca -0.02 1.31 0.08 0.00 0.00 0.00 0.00 51.96 53.32 1xl0 s ALA 192 Cb -0.17 -3.52 0.36 0.00 0.00 0.00 0.00 23.12 19.78 1xl0 s ALA 192 CO -0.07 -0.72 0.92 0.54 0.00 0.00 0.00 175.76 176.43 1xl0 n ARG 193 N 1.45 2.59 0.15 0.00 5.12 0.07 -4.91 116.66 121.14 1xl0 n ARG 193 Ca 0.03 -4.35 0.17 0.00 -1.93 0.00 0.00 57.85 51.77 1xl0 n ARG 193 Cb 0.41 -2.05 0.63 0.00 -1.16 0.00 0.00 32.46 30.29 1xl0 n ARG 193 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1xl0 h PRO 194 N 2.92 0.00 0.00 5.56 0.13 -1.93 0.53 132.00 139.22 1xl0 h PRO 194 Ca 0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1xl0 h PRO 194 Cb 0.72 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 1xl0 h PRO 194 CO 0.73 0.00 -0.00 1.05 -0.23 0.00 0.00 178.00 179.55 1xl0 h GLU 195 N 0.00 0.00 -0.51 0.86 9.09 -1.94 -2.76 114.58 119.32 1xl0 h GLU 195 Ca 0.15 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.50 1xl0 h GLU 195 Cb 1.34 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.41 1xl0 h GLU 195 CO -0.00 0.00 0.06 1.19 0.05 0.00 0.00 179.01 180.31 1xl0 n PHE 196 N -3.09 1.79 -1.85 2.06 3.72 0.18 -5.00 117.46 115.27 1xl0 n PHE 196 Ca -0.00 -0.92 -0.41 0.00 -0.05 0.00 0.00 57.45 56.06 1xl0 n PHE 196 Cb 0.26 -0.50 -0.01 0.00 -0.94 0.00 0.00 39.48 38.29 1xl0 n PHE 196 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1xl0 s THR 197 N -2.87 2.19 0.09 4.37 2.01 -1.04 -4.69 115.64 115.69 1xl0 s THR 197 Ca 0.51 0.18 0.07 0.00 0.31 0.00 0.00 61.69 62.75 1xl0 s THR 197 Cb 0.40 -3.11 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 1xl0 s THR 197 CO 0.13 0.04 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.15 1xl0 s LEU 198 N -1.49 2.29 0.12 4.42 1.02 -0.43 -4.93 118.68 119.68 1xl0 s LEU 198 Ca 0.56 -0.65 -0.20 0.00 0.02 0.00 0.00 54.13 53.85 1xl0 s LEU 198 Cb -0.46 -0.76 -0.07 0.00 0.02 0.00 0.00 46.19 44.92 1xl0 s LEU 198 CO 0.56 0.02 0.63 -2.16 0.02 0.00 0.00 176.35 175.42 1xl0 s PRO 199 N -1.82 4.25 -0.04 1.29 0.04 -1.26 0.86 135.00 138.32 1xl0 s PRO 199 Ca 0.04 0.81 0.05 0.00 0.04 0.00 0.00 61.00 61.93 1xl0 s PRO 199 Cb -0.10 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 1xl0 s PRO 199 CO 0.03 0.57 -0.21 0.08 0.04 0.00 0.00 177.00 177.52 1xl0 s VAL 200 N -1.23 1.68 0.00 -0.36 1.01 0.87 -4.85 120.40 117.52 1xl0 s VAL 200 Ca 0.34 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 1xl0 s VAL 200 Cb -0.19 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1xl0 s VAL 200 CO 0.21 0.48 0.08 -1.00 0.00 0.00 0.00 175.10 174.87 1xl0 s HIS 201 N -0.15 3.29 0.04 5.22 3.76 -1.26 -1.00 115.29 125.19 1xl0 s HIS 201 Ca -0.01 0.20 -0.01 0.00 -0.15 0.00 0.00 55.06 55.09 1xl0 s HIS 201 Cb -0.11 -1.73 -0.03 0.00 1.11 0.00 0.00 32.58 31.81 1xl0 s HIS 201 CO 0.02 0.55 -0.02 -0.06 -0.85 0.00 0.00 174.74 174.38 1xl0 s PHE 202 N -1.21 0.42 0.00 1.40 0.40 -0.10 -4.96 117.98 113.92 1xl0 s PHE 202 Ca 0.23 -0.86 0.00 0.00 -0.60 0.00 0.00 56.93 55.71 1xl0 s PHE 202 Cb -0.12 -0.31 0.00 0.00 0.51 0.00 0.00 43.02 43.10 1xl0 s PHE 202 CO 0.15 -0.31 0.00 0.66 0.70 0.00 0.00 175.22 176.41 1xl0 n TYR 203 N 0.66 0.00 -4.22 0.36 4.01 0.37 -0.52 117.16 117.82 1xl0 n TYR 203 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1xl0 n TYR 203 Cb 0.59 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 1xl0 n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xl0 n GLY 204 N 0.00 -1.01 3.48 2.72 0.00 -1.22 -4.57 105.19 104.60 1xl0 n GLY 204 Ca 0.00 -1.21 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 1xl0 n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xl0 s ARG 205 N 0.00 1.36 -0.18 1.61 1.70 -0.17 -4.86 118.95 118.41 1xl0 s ARG 205 Ca 0.00 -1.09 -0.07 0.00 -0.47 0.00 0.00 55.73 54.10 1xl0 s ARG 205 Cb 0.00 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 1xl0 s ARG 205 CO 0.00 -0.55 0.05 0.08 -1.08 0.00 0.00 175.30 173.80 1xl0 s VAL 206 N -3.95 4.71 -0.14 4.99 1.01 -1.26 -1.12 120.40 124.64 1xl0 s VAL 206 Ca 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 1xl0 s VAL 206 Cb 0.01 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 1xl0 s VAL 206 CO 0.02 0.47 -0.08 -1.61 0.00 0.00 0.00 175.10 173.90 1xl0 s GLU 207 N 0.31 3.53 -0.44 2.72 2.02 0.14 -4.94 118.70 122.04 1xl0 s GLU 207 Ca 0.03 -0.60 -0.12 0.00 0.02 0.00 0.00 54.97 54.29 1xl0 s GLU 207 Cb -0.12 -2.78 0.07 0.00 0.10 0.00 0.00 34.13 31.40 1xl0 s GLU 207 CO 0.00 0.22 0.32 -1.01 0.02 0.00 0.00 175.26 174.81 1xl0 s HIS 208 N 0.39 3.29 0.29 1.61 3.76 -1.26 0.54 115.29 123.90 1xl0 s HIS 208 Ca -0.07 -1.21 0.04 0.00 -0.15 0.00 0.00 55.06 53.67 1xl0 s HIS 208 Cb -0.15 -3.01 0.04 0.00 1.11 0.00 0.00 32.58 30.57 1xl0 s HIS 208 CO 0.04 -0.81 0.37 0.25 -0.85 0.00 0.00 174.74 173.74 1xl0 n THR 209 N 5.05 0.00 -0.04 1.30 -2.24 -0.91 -5.01 114.28 112.43 1xl0 n THR 209 Ca -0.11 -1.00 -0.05 0.00 -2.27 0.00 0.00 64.05 60.62 1xl0 n THR 209 Cb 0.43 -0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 67.96 1xl0 n THR 209 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1xl0 h SER 210 N 0.10 -0.61 -3.58 3.42 0.02 -2.03 -3.33 113.55 107.54 1xl0 h SER 210 Ca -0.14 0.08 -0.73 0.00 -0.84 0.00 0.00 61.79 60.15 1xl0 h SER 210 Cb 0.63 0.25 -0.30 0.00 0.14 0.00 0.00 62.40 63.12 1xl0 h SER 210 CO 0.21 -0.14 -0.29 -1.58 -1.14 0.00 0.00 176.83 173.89 1xl0 s GLN 211 N -3.88 2.71 0.00 3.45 2.00 -1.26 -5.01 119.66 117.67 1xl0 s GLN 211 Ca -0.05 -2.07 0.00 0.00 -2.00 0.00 0.00 55.36 51.25 1xl0 s GLN 211 Cb 0.03 -3.98 0.00 0.00 0.80 0.00 0.00 33.01 29.85 1xl0 s GLN 211 CO 0.20 -1.21 0.00 0.41 -0.50 0.00 0.00 175.29 174.19 1xl0 n GLY 212 N 4.42 -0.90 3.90 2.59 0.00 -1.25 -5.00 105.19 108.95 1xl0 n GLY 212 Ca -0.00 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 1xl0 n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xl0 s ALA 213 N -2.68 3.69 -0.01 4.61 0.00 -1.26 -2.15 121.76 123.95 1xl0 s ALA 213 Ca 0.00 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.41 1xl0 s ALA 213 Cb 0.00 -2.22 -0.01 0.00 0.00 0.00 0.00 23.12 20.89 1xl0 s ALA 213 CO 0.00 0.38 -0.12 0.15 0.00 0.00 0.00 175.76 176.18 1xl0 s LYS 214 N -3.28 1.00 -0.43 0.00 1.02 0.19 -4.88 119.74 113.36 1xl0 s LYS 214 Ca 0.43 -0.41 -0.16 0.00 0.02 0.00 0.00 55.97 55.85 1xl0 s LYS 214 Cb -0.11 -0.95 0.03 0.00 -0.52 0.00 0.00 37.83 36.28 1xl0 s LYS 214 CO 0.28 0.23 0.37 -0.46 -0.92 0.00 0.00 175.35 174.84 1xl0 s TRP 215 N -0.18 3.21 0.42 3.18 -0.00 -1.26 0.26 118.94 124.58 1xl0 s TRP 215 Ca 0.03 -0.59 0.04 0.00 -0.00 0.00 0.00 56.10 55.58 1xl0 s TRP 215 Cb -0.06 -2.81 -0.05 0.00 -0.00 0.00 0.00 33.47 30.56 1xl0 s TRP 215 CO -0.00 -0.67 0.04 0.14 -0.00 0.00 0.00 176.95 176.45 1xl0 s VAL 216 N 1.84 1.32 -1.46 5.86 -7.23 -0.27 -4.80 120.40 115.66 1xl0 s VAL 216 Ca 0.07 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.15 1xl0 s VAL 216 Cb -0.19 -2.58 0.04 0.00 0.56 0.00 0.00 36.38 34.21 1xl0 s VAL 216 CO 0.10 0.00 0.79 0.47 -0.31 0.00 0.00 175.10 176.15 1xl0 n ASP 217 N -1.06 -5.36 -4.91 4.85 8.00 -1.26 -1.00 116.55 115.80 1xl0 n ASP 217 Ca -0.09 -0.48 -0.27 0.00 0.71 0.00 0.00 54.79 54.66 1xl0 n ASP 217 Cb 0.67 -4.30 0.01 0.00 -0.02 0.00 0.00 41.12 37.47 1xl0 n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1xl0 s THR 218 N -3.18 4.50 -0.13 -3.53 -4.23 -1.26 -3.39 115.64 104.41 1xl0 s THR 218 Ca 0.47 0.09 -0.09 0.00 -1.18 0.00 0.00 61.69 60.98 1xl0 s THR 218 Cb -0.22 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 69.85 1xl0 s THR 218 CO 0.58 -0.70 0.18 -1.10 -0.54 0.00 0.00 174.62 173.04 1xl0 s GLN 219 N -4.79 3.76 -0.10 3.99 -0.21 0.33 -4.89 119.66 117.73 1xl0 s GLN 219 Ca 0.49 -0.07 -0.02 0.00 0.02 0.00 0.00 55.36 55.78 1xl0 s GLN 219 Cb -0.10 -3.27 -0.03 0.00 1.00 0.00 0.00 33.01 30.60 1xl0 s GLN 219 CO 0.44 0.60 -0.04 0.08 -2.12 0.00 0.00 175.29 174.25 1xl0 s VAL 220 N -0.54 3.95 -0.05 1.09 1.01 -1.26 -0.93 120.40 123.67 1xl0 s VAL 220 Ca 0.14 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1xl0 s VAL 220 Cb -0.12 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1xl0 s VAL 220 CO 0.04 0.56 -0.15 -0.69 0.00 0.00 0.00 175.10 174.86 1xl0 s VAL 221 N -0.40 1.28 0.22 2.92 1.01 -0.17 -4.48 120.40 120.77 1xl0 s VAL 221 Ca 0.07 -0.60 -0.21 0.00 0.00 0.00 0.00 61.98 61.24 1xl0 s VAL 221 Cb -0.12 -1.13 -0.08 0.00 0.00 0.00 0.00 36.38 35.04 1xl0 s VAL 221 CO 0.02 0.38 0.74 -0.76 0.00 0.00 0.00 175.10 175.48 1xl0 s LEU 222 N 0.33 4.38 -0.31 3.92 1.43 0.13 -0.09 118.68 128.46 1xl0 s LEU 222 Ca -0.09 1.46 -0.05 0.00 -1.03 0.00 0.00 54.13 54.42 1xl0 s LEU 222 Cb -0.13 -3.55 0.03 0.00 0.03 0.00 0.00 46.19 42.57 1xl0 s LEU 222 CO 0.03 0.06 0.06 0.00 0.23 0.00 0.00 176.35 176.73 1xl0 s ALA 223 N -1.47 2.96 -0.25 4.21 0.00 0.25 -0.66 121.76 126.80 1xl0 s ALA 223 Ca 0.42 -1.66 -0.10 0.00 0.00 0.00 0.00 51.96 50.62 1xl0 s ALA 223 Cb -0.18 -2.11 -0.05 0.00 0.00 0.00 0.00 23.12 20.78 1xl0 s ALA 223 CO 0.22 -1.19 0.15 1.41 0.00 0.00 0.00 175.76 176.35 1xl0 s MET 224 N 1.38 3.95 0.21 0.00 1.75 0.51 -1.31 119.30 125.80 1xl0 s MET 224 Ca -0.01 -0.33 -0.20 0.00 -1.25 0.00 0.00 55.69 53.90 1xl0 s MET 224 Cb -0.19 -3.53 -0.08 0.00 2.84 0.00 0.00 34.83 33.87 1xl0 s MET 224 CO 0.01 -0.06 0.72 -1.25 -0.65 0.00 0.00 175.02 173.79 1xl0 s PRO 225 N 1.37 4.26 -0.12 4.11 0.04 -1.26 -0.40 135.00 143.00 1xl0 s PRO 225 Ca 0.07 0.87 0.02 0.00 0.04 0.00 0.00 61.00 61.99 1xl0 s PRO 225 Cb -0.15 -2.91 0.01 0.00 0.04 0.00 0.00 34.50 31.50 1xl0 s PRO 225 CO 0.07 0.41 -0.16 0.71 0.04 0.00 0.00 177.00 178.07 1xl0 s TYR 226 N -1.49 2.07 -0.14 0.56 1.51 0.32 -0.75 117.35 119.42 1xl0 s TYR 226 Ca 0.42 -1.00 -0.07 0.00 -1.01 0.00 0.00 57.07 55.41 1xl0 s TYR 226 Cb -0.17 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1xl0 s TYR 226 CO 0.21 -0.51 0.10 -0.51 -1.11 0.00 0.00 175.55 173.73 1xl0 s ASP 227 N 1.01 6.04 -0.08 2.29 -0.00 0.11 -1.18 116.67 124.86 1xl0 s ASP 227 Ca -0.06 0.31 0.03 0.00 -0.00 0.00 0.00 52.55 52.83 1xl0 s ASP 227 Cb -0.15 -1.96 0.01 0.00 -0.00 0.00 0.00 42.92 40.82 1xl0 s ASP 227 CO -0.02 0.32 -0.18 -0.89 -0.00 0.00 0.00 175.17 174.40 1xl0 s THR 228 N -0.51 1.59 0.35 -1.27 2.01 -0.21 -0.00 115.64 117.60 1xl0 s THR 228 Ca 0.11 -0.74 -0.27 0.00 0.31 0.00 0.00 61.69 61.10 1xl0 s THR 228 Cb -0.12 -1.40 -0.09 0.00 0.01 0.00 0.00 72.50 70.90 1xl0 s THR 228 CO 0.02 0.46 1.15 -2.16 -0.69 0.00 0.00 174.62 173.39 1xl0 s PRO 229 N 0.50 4.30 -0.41 4.92 0.04 -1.26 -1.19 135.00 141.90 1xl0 s PRO 229 Ca -0.17 1.84 0.03 0.00 0.04 0.00 0.00 61.00 62.74 1xl0 s PRO 229 Cb -0.17 -2.88 0.12 0.00 0.04 0.00 0.00 34.50 31.61 1xl0 s PRO 229 CO 0.06 -0.10 0.16 0.08 0.04 0.00 0.00 177.00 177.24 1xl0 s VAL 230 N -1.32 1.94 0.21 -0.36 1.01 0.62 -4.89 120.40 117.61 1xl0 s VAL 230 Ca 0.52 -2.52 -0.30 0.00 0.00 0.00 0.00 61.98 59.68 1xl0 s VAL 230 Cb -0.31 -2.39 -0.08 0.00 0.00 0.00 0.00 36.38 33.59 1xl0 s VAL 230 CO 0.40 -0.74 1.08 -2.16 0.00 0.00 0.00 175.10 173.68 1xl0 s PRO 231 N 0.54 4.64 0.73 2.72 0.04 -1.26 -0.72 135.00 141.70 1xl0 s PRO 231 Ca 0.14 1.71 -0.09 0.00 0.04 0.00 0.00 61.00 62.80 1xl0 s PRO 231 Cb -0.22 -3.25 0.06 0.00 0.04 0.00 0.00 34.50 31.12 1xl0 s PRO 231 CO -0.07 0.17 1.08 0.20 0.04 0.00 0.00 177.00 178.43 1xl0 s GLY 232 N -0.47 1.63 -0.56 0.56 0.00 0.96 -4.76 107.32 104.69 1xl0 s GLY 232 Ca 0.47 -0.72 -0.28 0.00 0.00 0.00 0.00 44.72 44.19 1xl0 s GLY 232 CO 0.36 -0.29 1.24 -0.47 0.00 0.00 0.00 173.10 173.93 1xl0 s TYR 233 N -3.37 2.56 -0.86 1.90 6.14 -1.26 -4.20 117.35 118.26 1xl0 s TYR 233 Ca 0.60 0.47 -0.01 0.00 0.64 0.00 0.00 57.07 58.76 1xl0 s TYR 233 Cb -0.11 -4.48 0.01 0.00 0.42 0.00 0.00 41.96 37.80 1xl0 s TYR 233 CO 0.47 -1.64 0.07 0.54 0.64 0.00 0.00 175.55 175.63 1xl0 n ARG 234 N 8.41 -2.55 -0.02 4.97 3.00 0.17 -4.80 116.66 125.84 1xl0 n ARG 234 Ca 0.10 0.45 0.01 0.00 -0.01 0.00 0.00 57.85 58.40 1xl0 n ARG 234 Cb 0.49 -5.04 0.03 0.00 0.00 0.00 0.00 32.46 27.93 1xl0 n ARG 234 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1xl0 n ASN 235 N -1.81 1.81 -0.55 0.55 2.04 -1.26 -4.93 115.26 111.10 1xl0 n ASN 235 Ca -0.09 -1.64 -0.07 0.00 -0.44 0.00 0.00 54.58 52.33 1xl0 n ASN 235 Cb 0.58 -0.03 -0.03 0.00 -2.53 0.00 0.00 39.78 37.76 1xl0 n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1xl0 n ASN 236 N -0.10 -5.05 -4.76 0.53 3.02 -1.26 -1.01 115.26 106.62 1xl0 n ASN 236 Ca 0.02 0.18 -0.37 0.00 -0.03 0.00 0.00 54.58 54.38 1xl0 n ASN 236 Cb 0.20 -3.19 -0.06 0.00 -0.61 0.00 0.00 39.78 36.12 1xl0 n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xl0 s VAL 237 N -1.87 5.19 -0.22 2.41 1.01 -1.26 -4.78 120.40 120.87 1xl0 s VAL 237 Ca 0.00 0.77 -0.02 0.00 0.00 0.00 0.00 61.98 62.73 1xl0 s VAL 237 Cb 0.00 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 32.73 1xl0 s VAL 237 CO 0.00 0.43 0.05 -0.69 0.00 0.00 0.00 175.10 174.88 1xl0 s VAL 238 N 0.04 0.61 0.62 2.92 1.01 -1.26 -0.03 120.40 124.32 1xl0 s VAL 238 Ca 0.22 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 1xl0 s VAL 238 Cb -0.15 -1.19 0.13 0.00 0.00 0.00 0.00 36.38 35.17 1xl0 s VAL 238 CO 0.09 -0.32 0.85 0.59 0.00 0.00 0.00 175.10 176.31 1xl0 n ASN 239 N 5.00 0.92 -4.24 3.32 3.02 0.10 -4.65 115.26 118.74 1xl0 n ASN 239 Ca -0.08 -1.83 -0.28 0.00 -0.03 0.00 0.00 54.58 52.36 1xl0 n ASN 239 Cb 0.46 -0.57 -0.16 0.00 -0.61 0.00 0.00 39.78 38.90 1xl0 n ASN 239 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xl0 s THR 240 N -2.61 1.72 -0.27 3.41 2.01 -1.26 -0.27 115.64 118.37 1xl0 s THR 240 Ca 0.55 -0.94 -0.02 0.00 0.31 0.00 0.00 61.69 61.59 1xl0 s THR 240 Cb -0.03 -1.43 0.03 0.00 0.01 0.00 0.00 72.50 71.09 1xl0 s THR 240 CO 0.37 0.47 -0.03 -0.32 -0.69 0.00 0.00 174.62 174.42 1xl0 s MET 241 N -0.54 2.72 -0.27 4.92 1.75 -0.34 -1.86 119.30 125.67 1xl0 s MET 241 Ca 0.08 -1.06 -0.09 0.00 -1.25 0.00 0.00 55.69 53.37 1xl0 s MET 241 Cb -0.08 -3.07 -0.02 0.00 2.84 0.00 0.00 34.83 34.49 1xl0 s MET 241 CO -0.01 -0.47 0.11 0.50 -0.65 0.00 0.00 175.02 174.50 1xl0 s ARG 242 N 1.31 3.58 -0.10 4.11 3.52 0.12 -1.05 118.95 130.45 1xl0 s ARG 242 Ca -0.01 -0.54 0.01 0.00 -0.13 0.00 0.00 55.73 55.06 1xl0 s ARG 242 Cb -0.18 -3.45 -0.02 0.00 -1.56 0.00 0.00 34.95 29.74 1xl0 s ARG 242 CO -0.03 -0.27 -0.13 -0.51 -0.81 0.00 0.00 175.30 173.55 1xl0 s LEU 243 N 1.63 2.75 0.04 -0.88 1.43 -0.32 -1.99 118.68 121.34 1xl0 s LEU 243 Ca 0.06 -0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 52.75 1xl0 s LEU 243 Cb -0.16 -1.60 -0.06 0.00 0.03 0.00 0.00 46.19 44.40 1xl0 s LEU 243 CO 0.05 0.24 0.45 0.26 0.23 0.00 0.00 176.35 177.58 1xl0 s TRP 244 N -0.08 3.70 -0.02 0.29 0.52 -0.36 -0.52 118.94 122.47 1xl0 s TRP 244 Ca -0.02 1.01 0.07 0.00 0.02 0.00 0.00 56.10 57.18 1xl0 s TRP 244 Cb -0.14 -2.30 -0.02 0.00 -1.15 0.00 0.00 33.47 29.86 1xl0 s TRP 244 CO 0.04 0.59 -0.24 0.45 0.02 0.00 0.00 176.95 177.80 1xl0 s SER 245 N -1.29 2.89 0.02 2.95 0.15 0.46 -0.76 113.70 118.11 1xl0 s SER 245 Ca 0.28 -0.45 -0.27 0.00 0.70 0.00 0.00 55.95 56.21 1xl0 s SER 245 Cb -0.16 -0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 63.72 1xl0 s SER 245 CO 0.16 0.29 0.84 0.00 1.20 0.00 0.00 173.24 175.73 1xl0 s ALA 246 N -0.52 3.28 -0.03 5.45 0.00 -1.26 -0.36 121.76 128.32 1xl0 s ALA 246 Ca 0.08 0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.42 1xl0 s ALA 246 Cb -0.10 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 19.91 1xl0 s ALA 246 CO -0.00 -0.07 -0.05 0.15 0.00 0.00 0.00 175.76 175.79 1xl0 s LYS 247 N 0.42 0.64 0.28 0.00 -0.14 0.16 -4.67 119.74 116.44 1xl0 s LYS 247 Ca 0.43 -0.13 -0.27 0.00 -1.36 0.00 0.00 55.97 54.64 1xl0 s LYS 247 Cb -0.21 -0.66 -0.09 0.00 -1.68 0.00 0.00 37.83 35.19 1xl0 s LYS 247 CO 0.24 -0.00 0.93 0.00 -0.76 0.00 0.00 175.35 175.76 1xl0 s ALA 248 N 0.52 3.27 0.78 5.17 0.00 -1.26 0.17 121.76 130.41 1xl0 s ALA 248 Ca -0.06 0.54 -0.11 0.00 0.00 0.00 0.00 51.96 52.32 1xl0 s ALA 248 Cb -0.10 -3.17 0.07 0.00 0.00 0.00 0.00 23.12 19.92 1xl0 s ALA 248 CO -0.00 0.20 1.11 -1.25 0.00 0.00 0.00 175.76 175.81 1xl0 s PRO 249 N -1.70 2.09 0.49 0.00 0.04 -1.26 -4.86 135.00 129.80 1xl0 s PRO 249 Ca 0.46 1.28 0.29 0.00 0.04 0.00 0.00 61.00 63.07 1xl0 s PRO 249 Cb -0.21 -1.87 1.03 0.00 0.04 0.00 0.00 34.50 33.49 1xl0 s PRO 249 CO 0.27 -1.78 1.86 -0.91 0.04 0.00 0.00 177.00 176.47 1xl0 h ASN 250 N -1.11 0.00 -0.20 6.66 2.35 -1.99 -2.38 115.58 118.90 1xl0 h ASN 250 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 1xl0 h ASN 250 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 1xl0 h ASN 250 CO 0.50 0.08 0.00 -0.90 -1.65 0.00 0.00 177.43 175.45 1xl0 n ASP 251 N -3.18 1.60 -4.68 5.81 5.75 -1.26 -4.86 116.55 115.74 1xl0 n ASP 251 Ca 0.01 -1.76 -0.46 0.00 -0.01 0.00 0.00 54.79 52.57 1xl0 n ASP 251 Cb 0.39 -0.13 -0.04 0.00 -1.03 0.00 0.00 41.12 40.31 1xl0 n ASP 251 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1xl0 n PHE 252 N 0.30 2.34 -0.98 2.11 7.35 -0.90 -1.05 117.46 126.63 1xl0 n PHE 252 Ca 0.15 0.14 -0.01 0.00 -0.76 0.00 0.00 57.45 56.97 1xl0 n PHE 252 Cb 0.30 -2.60 -0.00 0.00 0.35 0.00 0.00 39.48 37.53 1xl0 n PHE 252 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1xl0 n ASN 253 N 4.55 -5.76 -4.03 -2.13 4.13 -1.26 -4.81 115.26 105.95 1xl0 n ASN 253 Ca 0.19 0.02 -0.31 0.00 1.68 0.00 0.00 54.58 56.15 1xl0 n ASN 253 Cb 0.30 -3.43 -0.15 0.00 -1.54 0.00 0.00 39.78 34.96 1xl0 n ASN 253 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1xl0 s LEU 254 N -0.15 3.16 1.06 3.41 1.43 -0.21 -4.82 118.68 122.55 1xl0 s LEU 254 Ca 0.00 -1.32 -0.21 0.00 -1.03 0.00 0.00 54.13 51.57 1xl0 s LEU 254 Cb 0.00 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 1xl0 s LEU 254 CO 0.00 -0.20 -0.49 0.61 0.23 0.00 0.00 176.35 176.50 1xl0 n GLY 261 N 4.51 -2.78 0.17 -3.19 0.00 -1.26 -4.88 105.19 97.76 1xl0 n GLY 261 Ca -0.13 -0.58 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 1xl0 n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1xl0 h TYR 262 N -1.60 -0.30 -0.32 1.61 3.20 -2.00 -1.98 116.97 115.59 1xl0 h TYR 262 Ca -0.47 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.47 1xl0 h TYR 262 Cb 1.36 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 39.74 1xl0 h TYR 262 CO 0.14 -0.18 0.04 0.82 -1.64 0.00 0.00 178.16 177.34 1xl0 h ILE 263 N -0.11 0.82 -0.91 1.81 1.08 -2.02 -2.34 117.51 115.85 1xl0 h ILE 263 Ca 0.11 -0.05 0.01 0.00 -0.39 0.00 0.00 64.86 64.54 1xl0 h ILE 263 Cb 0.28 0.66 -0.05 0.00 -3.07 0.00 0.00 36.82 34.64 1xl0 h ILE 263 CO -0.26 0.03 0.60 1.56 -0.69 0.00 0.00 178.15 179.39 1xl0 h GLN 264 N 0.15 1.19 -0.62 2.37 1.08 -1.94 -1.15 115.11 116.19 1xl0 h GLN 264 Ca 0.15 -0.07 0.02 0.00 -1.45 0.00 0.00 58.65 57.30 1xl0 h GLN 264 Cb 0.18 -0.27 -0.04 0.00 -0.05 0.00 0.00 27.48 27.30 1xl0 h GLN 264 CO -0.21 0.79 0.39 0.00 -0.95 0.00 0.00 178.83 178.84 1xl0 h ALA 265 N 1.34 0.79 -0.43 3.87 0.00 -0.90 0.21 119.26 124.15 1xl0 h ALA 265 Ca 0.34 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 1xl0 h ALA 265 Cb -0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1xl0 h ALA 265 CO -0.08 0.16 -0.02 0.28 0.00 0.00 0.00 179.25 179.59 1xl0 h VAL 266 N 0.78 1.26 -0.24 0.00 2.07 -1.02 -2.93 116.25 116.18 1xl0 h VAL 266 Ca 0.24 -1.07 -0.07 0.00 0.82 0.00 0.00 66.70 66.62 1xl0 h VAL 266 Cb -0.02 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1xl0 h VAL 266 CO -0.08 0.37 -0.14 -0.07 0.02 0.00 0.00 177.57 177.66 1xl0 h LEU 267 N 0.61 0.39 0.00 2.57 3.38 -0.72 -2.43 115.31 119.11 1xl0 h LEU 267 Ca 0.12 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xl0 h LEU 267 Cb 0.52 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1xl0 h LEU 267 CO 0.03 0.56 0.00 0.47 0.09 0.00 0.00 178.44 179.59 1xl0 n ASP 268 N -4.21 0.00 0.26 -0.43 8.00 0.70 -2.63 116.55 118.24 1xl0 n ASP 268 Ca 0.00 -0.48 0.11 0.00 0.71 0.00 0.00 54.79 55.13 1xl0 n ASP 268 Cb 0.31 -0.07 0.71 0.00 -0.02 0.00 0.00 41.12 42.06 1xl0 n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1xl0 h ARG 269 N 0.00 0.00 -0.63 -1.24 3.08 -1.42 -1.26 114.38 112.91 1xl0 h ARG 269 Ca 0.00 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.20 1xl0 h ARG 269 Cb 0.04 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1xl0 h ARG 269 CO 0.00 0.09 0.44 -0.91 -1.07 0.00 0.00 179.97 178.51 1xl0 h ASN 270 N 0.00 0.20 -0.29 7.04 -0.26 -1.73 -1.84 115.58 118.69 1xl0 h ASN 270 Ca -0.00 0.01 0.05 0.00 -0.56 0.00 0.00 56.30 55.80 1xl0 h ASN 270 Cb 0.19 -0.03 -0.05 0.00 -1.06 0.00 0.00 38.32 37.38 1xl0 h ASN 270 CO 0.01 0.10 0.00 -0.07 -1.06 0.00 0.00 177.43 176.42 1xl0 h LEU 271 N 0.21 -0.11 -0.28 1.61 4.07 -1.48 -0.20 115.31 119.13 1xl0 h LEU 271 Ca 0.30 0.06 -0.20 0.00 0.08 0.00 0.00 57.88 58.12 1xl0 h LEU 271 Cb 0.90 0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.76 1xl0 h LEU 271 CO -0.06 -0.02 -0.73 0.00 -1.08 0.00 0.00 178.44 176.54 1xl0 h ALA 272 N 1.25 0.44 0.00 1.53 0.00 -1.52 -3.20 119.26 117.76 1xl0 h ALA 272 Ca 0.14 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1xl0 h ALA 272 Cb 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xl0 h ALA 272 CO -0.23 0.71 0.00 0.39 0.00 0.00 0.00 179.25 180.12 1xl0 n GLU 273 N -3.91 0.12 0.22 0.00 1.02 -0.93 -3.17 120.64 113.99 1xl0 n GLU 273 Ca -0.06 0.21 0.15 0.00 -0.02 0.00 0.00 57.16 57.44 1xl0 n GLU 273 Cb 0.72 -1.67 0.73 0.00 -0.02 0.00 0.00 31.44 31.19 1xl0 n GLU 273 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1xl0 h ASN 274 N 0.00 0.00 -0.94 1.62 2.35 -1.03 -3.05 115.58 114.53 1xl0 h ASN 274 Ca 0.00 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.87 1xl0 h ASN 274 Cb 0.48 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.77 1xl0 h ASN 274 CO 0.00 0.00 0.57 0.40 -1.65 0.00 0.00 177.43 176.75 1xl0 h ILE 275 N 0.00 0.90 -0.44 2.81 2.04 -1.76 -1.71 117.51 119.34 1xl0 h ILE 275 Ca 0.00 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1xl0 h ILE 275 Cb 0.19 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.18 1xl0 h ILE 275 CO 0.00 0.16 0.01 -1.54 0.00 0.00 0.00 178.15 176.78 1xl0 n SER 276 N -4.68 4.90 -0.04 1.72 3.41 -1.15 -4.64 113.62 113.14 1xl0 n SER 276 Ca 0.17 -2.99 -0.14 0.00 -0.26 0.00 0.00 58.87 55.65 1xl0 n SER 276 Cb 0.34 -0.63 -0.08 0.00 -0.26 0.00 0.00 64.21 63.58 1xl0 n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1xl0 h ARG 277 N 2.99 0.35 -3.25 4.33 9.65 -1.41 -1.57 114.38 125.46 1xl0 h ARG 277 Ca 0.01 -0.23 -0.15 0.00 -1.10 0.00 0.00 59.98 58.51 1xl0 h ARG 277 Cb 1.76 0.03 -0.22 0.00 -1.39 0.00 0.00 29.97 30.15 1xl0 h ARG 277 CO 0.38 0.84 -0.42 0.54 2.80 0.00 0.00 179.97 184.11 1xl0 s VAL 278 N -3.95 0.04 0.07 0.20 0.11 -1.26 -0.48 120.40 115.13 1xl0 s VAL 278 Ca -0.14 -0.36 -0.30 0.00 -2.93 0.00 0.00 61.98 58.24 1xl0 s VAL 278 Cb 0.04 -0.44 -0.05 0.00 -1.53 0.00 0.00 36.38 34.40 1xl0 s VAL 278 CO 0.77 -0.20 1.01 -0.22 -3.33 0.00 0.00 175.10 173.12 1xl0 s LEU 279 N -0.77 4.44 -0.02 2.54 2.96 -0.79 -4.98 118.68 122.05 1xl0 s LEU 279 Ca -0.09 1.80 -0.30 0.00 -0.22 0.00 0.00 54.13 55.32 1xl0 s LEU 279 Cb -0.05 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 1xl0 s LEU 279 CO 0.02 -0.20 1.51 -0.31 -1.32 0.00 0.00 176.35 176.05 1xl0 s TYR 280 N 0.46 2.50 0.00 5.38 1.51 -1.26 -4.85 117.35 121.09 1xl0 s TYR 280 Ca 0.50 0.55 0.00 0.00 -1.01 0.00 0.00 57.07 57.12 1xl0 s TYR 280 Cb -0.24 -3.78 0.00 0.00 -0.11 0.00 0.00 41.96 37.84 1xl0 s TYR 280 CO 0.30 -3.05 1.02 -0.35 -1.11 0.00 0.00 175.55 172.35 1xl0 n PRO 281 N 6.12 0.96 -3.69 -1.71 -0.04 -1.26 -4.89 135.00 130.49 1xl0 n PRO 281 Ca 0.15 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.25 1xl0 n PRO 281 Cb 0.43 -1.02 -0.07 0.00 -0.04 0.00 0.00 33.50 32.80 1xl0 n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1xl0 s ASN 282 N 1.07 6.39 -0.22 3.54 0.01 -1.26 -4.41 114.94 120.06 1xl0 s ASN 282 Ca 0.00 0.46 -0.03 0.00 -0.71 0.00 0.00 52.86 52.58 1xl0 s ASN 282 Cb 0.00 -2.13 0.00 0.00 0.41 0.00 0.00 41.25 39.53 1xl0 s ASN 282 CO 0.00 0.23 -0.07 -0.62 -1.51 0.00 0.00 177.10 175.14 1xl0 s ASP 283 N -0.14 4.12 -1.32 -1.22 2.15 -1.26 -4.66 116.67 114.34 1xl0 s ASP 283 Ca 0.14 -0.50 -0.03 0.00 0.43 0.00 0.00 52.55 52.59 1xl0 s ASP 283 Cb -0.12 -1.69 0.01 0.00 -0.30 0.00 0.00 42.92 40.82 1xl0 s ASP 283 CO 0.03 -0.03 0.86 0.59 -0.17 0.00 0.00 175.17 176.45 1xl0 n ASN 284 N 4.75 -2.38 -3.66 -0.34 3.02 -1.26 -4.99 115.26 110.40 1xl0 n ASN 284 Ca -0.18 -0.74 -0.07 0.00 -0.03 0.00 0.00 54.58 53.56 1xl0 n ASN 284 Cb 0.50 -4.40 -0.08 0.00 -0.61 0.00 0.00 39.78 35.19 1xl0 n ASN 284 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1xl0 s PHE 285 N -3.51 -0.96 -0.13 3.10 5.36 -1.26 -4.35 117.98 116.23 1xl0 s PHE 285 Ca 0.15 1.87 -0.18 0.00 -0.96 0.00 0.00 56.93 57.81 1xl0 s PHE 285 Cb -0.07 0.53 -0.04 0.00 -0.34 0.00 0.00 43.02 43.09 1xl0 s PHE 285 CO 0.79 -0.50 0.47 0.12 -1.46 0.00 0.00 175.22 174.64 1xl0 s PHE 286 N 1.92 3.49 -0.25 10.12 5.99 0.64 -4.86 117.98 135.03 1xl0 s PHE 286 Ca -0.08 0.86 0.02 0.00 0.00 0.00 0.00 56.93 57.73 1xl0 s PHE 286 Cb -0.08 -2.56 0.06 0.00 0.00 0.00 0.00 43.02 40.45 1xl0 s PHE 286 CO -0.17 0.14 -0.06 -2.00 -0.00 0.00 0.00 175.22 173.13 1xl0 s GLU 287 N 0.73 1.77 -1.47 10.12 2.12 -1.26 -4.94 118.70 125.77 1xl0 s GLU 287 Ca 0.25 -1.16 -0.13 0.00 0.36 0.00 0.00 54.97 54.29 1xl0 s GLU 287 Cb -0.15 -2.70 -0.00 0.00 0.26 0.00 0.00 34.13 31.54 1xl0 s GLU 287 CO 0.10 -0.63 2.40 0.41 -0.54 0.00 0.00 175.26 177.00 1xl0 n GLY 288 N 4.58 4.29 3.89 -1.50 0.00 -1.26 -4.92 105.19 110.25 1xl0 n GLY 288 Ca -0.11 -1.54 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 1xl0 n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xl0 s LYS 289 N 3.02 3.38 0.23 1.61 -0.14 -1.26 -5.01 119.74 121.57 1xl0 s LYS 289 Ca 0.53 -0.36 -0.06 0.00 -1.36 0.00 0.00 55.97 54.72 1xl0 s LYS 289 Cb 0.15 -3.05 0.32 0.00 -1.68 0.00 0.00 37.83 33.57 1xl0 s LYS 289 CO -0.07 0.66 1.84 1.49 -0.76 0.00 0.00 175.35 178.51 1xl0 h GLU 290 N 3.77 0.86 -0.88 1.68 4.81 -2.00 -2.20 114.58 120.61 1xl0 h GLU 290 Ca -0.48 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 58.75 1xl0 h GLU 290 Cb 1.18 -0.19 -0.06 0.00 0.63 0.00 0.00 28.75 30.31 1xl0 h GLU 290 CO 0.69 0.57 0.55 1.25 -0.73 0.00 0.00 179.01 181.34 1xl0 h LEU 291 N 0.88 0.88 -0.72 1.64 5.85 -1.98 -0.72 115.31 121.14 1xl0 h LEU 291 Ca 0.36 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 59.04 1xl0 h LEU 291 Cb 0.20 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1xl0 h LEU 291 CO -0.18 0.56 0.24 -0.09 -0.34 0.00 0.00 178.44 178.63 1xl0 h ARG 292 N 1.01 1.10 -0.68 1.25 9.65 -1.76 -1.47 114.38 123.49 1xl0 h ARG 292 Ca 0.38 -0.23 -0.05 0.00 -1.10 0.00 0.00 59.98 58.98 1xl0 h ARG 292 Cb 0.16 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.54 1xl0 h ARG 292 CO -0.17 0.94 0.20 1.25 2.80 0.00 0.00 179.97 184.99 1xl0 h LEU 293 N 1.05 0.97 -0.82 3.80 5.85 -0.97 -1.00 115.31 124.19 1xl0 h LEU 293 Ca 0.23 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1xl0 h LEU 293 Cb 0.28 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1xl0 h LEU 293 CO -0.01 0.91 0.35 0.11 -0.34 0.00 0.00 178.44 179.46 1xl0 h LYS 294 N 1.00 1.22 -0.47 1.25 1.57 -0.64 -1.03 116.57 119.47 1xl0 h LYS 294 Ca 0.22 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1xl0 h LYS 294 Cb 0.29 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1xl0 h LYS 294 CO -0.01 0.96 0.16 1.96 -0.57 0.00 0.00 179.45 181.95 1xl0 h GLN 295 N 1.19 0.73 -0.72 3.15 4.20 -0.70 0.13 115.11 123.09 1xl0 h GLN 295 Ca 0.28 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1xl0 h GLN 295 Cb 0.18 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1xl0 h GLN 295 CO -0.03 0.68 0.40 0.93 -0.67 0.00 0.00 178.83 180.14 1xl0 h GLU 296 N 0.63 1.00 -0.06 1.46 5.08 -0.75 -1.95 114.58 119.99 1xl0 h GLU 296 Ca 0.15 -0.11 -0.22 0.00 -1.00 0.00 0.00 59.36 58.18 1xl0 h GLU 296 Cb 0.25 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1xl0 h GLU 296 CO -0.01 0.74 -0.84 -0.92 -1.00 0.00 0.00 179.01 176.98 1xl0 h TYR 297 N 0.99 0.76 -0.18 4.33 3.20 -1.00 -2.95 116.97 122.12 1xl0 h TYR 297 Ca 0.25 -0.37 0.05 0.00 3.14 0.00 0.00 58.73 61.80 1xl0 h TYR 297 Cb 0.03 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.15 1xl0 h TYR 297 CO -0.00 1.17 -0.12 0.35 -1.64 0.00 0.00 178.16 177.92 1xl0 h PHE 298 N 0.35 -0.28 -0.58 -3.82 3.57 -0.46 0.20 116.94 115.92 1xl0 h PHE 298 Ca -0.06 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 1xl0 h PHE 298 Cb 1.46 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 40.33 1xl0 h PHE 298 CO 0.07 -0.18 0.00 -0.24 -2.23 0.00 0.00 178.31 175.73 1xl0 h VAL 299 N -0.11 1.26 -0.17 1.41 3.04 -1.42 -2.69 116.25 117.56 1xl0 h VAL 299 Ca 0.11 -1.12 -0.04 0.00 -1.01 0.00 0.00 66.70 64.64 1xl0 h VAL 299 Cb 0.27 0.81 -0.01 0.00 -2.01 0.00 0.00 31.29 30.35 1xl0 h VAL 299 CO -0.25 0.40 -0.04 0.58 -1.01 0.00 0.00 177.57 177.25 1xl0 h VAL 300 N 0.92 1.29 -0.20 1.51 2.07 -1.25 -1.98 116.25 118.60 1xl0 h VAL 300 Ca 0.17 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1xl0 h VAL 300 Cb 0.53 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1xl0 h VAL 300 CO 0.03 0.30 0.08 0.00 0.02 0.00 0.00 177.57 178.00 1xl0 h ALA 301 N 0.72 0.27 -0.38 1.67 0.00 -0.63 -0.93 119.26 119.98 1xl0 h ALA 301 Ca 0.04 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1xl0 h ALA 301 Cb 0.48 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1xl0 h ALA 301 CO 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 179.25 179.13 1xl0 h ALA 302 N 0.92 0.51 -0.20 0.00 0.00 -1.56 -2.78 119.26 116.16 1xl0 h ALA 302 Ca 0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1xl0 h ALA 302 Cb 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1xl0 h ALA 302 CO -0.01 0.29 0.10 1.15 0.00 0.00 0.00 179.25 180.78 1xl0 h THR 303 N 0.49 1.12 -0.72 0.00 2.02 -1.30 -2.16 112.91 112.37 1xl0 h THR 303 Ca 0.11 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 1xl0 h THR 303 Cb 0.47 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 1xl0 h THR 303 CO 0.02 0.12 0.35 -0.07 0.37 0.00 0.00 175.52 176.31 1xl0 h LEU 304 N 0.20 0.93 -0.66 2.58 3.38 -1.18 0.11 115.31 120.66 1xl0 h LEU 304 Ca 0.07 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1xl0 h LEU 304 Cb 0.10 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1xl0 h LEU 304 CO -0.01 0.78 0.18 1.56 0.09 0.00 0.00 178.44 181.04 1xl0 h GLN 305 N 1.02 1.05 -0.59 1.13 4.20 -1.39 -0.16 115.11 120.37 1xl0 h GLN 305 Ca 0.25 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 1xl0 h GLN 305 Cb 0.10 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1xl0 h GLN 305 CO -0.03 0.93 0.17 0.22 -0.67 0.00 0.00 178.83 179.44 1xl0 h ASP 306 N 0.98 0.88 -0.30 1.46 -0.00 -0.76 0.12 116.42 118.80 1xl0 h ASP 306 Ca 0.21 -0.22 -0.03 0.00 -0.00 0.00 0.00 57.03 57.00 1xl0 h ASP 306 Cb 0.34 -0.23 -0.01 0.00 -0.00 0.00 0.00 39.33 39.43 1xl0 h ASP 306 CO -0.00 0.87 0.08 0.40 -0.00 0.00 0.00 179.24 180.59 1xl0 h ILE 307 N 0.85 1.21 -0.53 2.25 2.04 -0.48 -1.64 117.51 121.20 1xl0 h ILE 307 Ca 0.19 -0.68 -0.07 0.00 1.00 0.00 0.00 64.86 65.30 1xl0 h ILE 307 Cb 0.31 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1xl0 h ILE 307 CO -0.00 0.23 0.05 0.40 0.00 0.00 0.00 178.15 178.83 1xl0 h ILE 308 N 0.32 1.26 -0.51 -0.67 2.04 -0.88 -0.75 117.51 118.31 1xl0 h ILE 308 Ca 0.09 -1.01 0.03 0.00 1.00 0.00 0.00 64.86 64.97 1xl0 h ILE 308 Cb 0.27 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1xl0 h ILE 308 CO -0.00 0.36 0.30 -0.09 0.00 0.00 0.00 178.15 178.72 1xl0 h ARG 309 N 0.78 0.57 -0.50 2.37 2.43 -0.85 0.82 114.38 120.00 1xl0 h ARG 309 Ca 0.16 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 1xl0 h ARG 309 Cb 0.45 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1xl0 h ARG 309 CO 0.02 0.38 0.02 -0.09 -1.51 0.00 0.00 179.97 178.78 1xl0 h ARG 310 N 0.59 0.83 -0.17 0.20 2.43 -1.08 -2.55 114.38 114.63 1xl0 h ARG 310 Ca 0.21 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1xl0 h ARG 310 Cb 0.04 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1xl0 h ARG 310 CO -0.11 0.82 0.05 0.35 -1.51 0.00 0.00 179.97 179.58 1xl0 h PHE 311 N 0.78 0.28 0.00 2.20 3.57 -0.39 -2.96 116.94 120.41 1xl0 h PHE 311 Ca 0.15 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 1xl0 h PHE 311 Cb 0.44 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 1xl0 h PHE 311 CO 0.02 0.38 -0.01 0.87 -2.23 0.00 0.00 178.31 177.34 1xl0 h LYS 312 N 0.10 0.00 -1.66 1.11 1.57 -0.62 -2.80 116.57 114.28 1xl0 h LYS 312 Ca 0.06 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 58.12 1xl0 h LYS 312 Cb 0.23 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.27 1xl0 h LYS 312 CO -0.00 0.01 0.96 0.43 -0.57 0.00 0.00 179.45 180.28 1xl0 n SER 313 N -4.47 7.52 -0.10 0.86 7.64 -0.98 -4.97 113.62 119.12 1xl0 n SER 313 Ca -0.03 -3.77 -0.21 0.00 1.01 0.00 0.00 58.87 55.86 1xl0 n SER 313 Cb 0.10 -1.05 -0.07 0.00 -1.01 0.00 0.00 64.21 62.18 1xl0 n SER 313 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1xl0 n SER 314 N -0.57 1.58 0.00 6.43 7.64 -1.06 -4.99 113.62 122.65 1xl0 n SER 314 Ca 0.56 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.71 1xl0 n SER 314 Cb 0.40 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 1xl0 n SER 314 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1xl0 n THR 324 N -4.03 0.00 -3.41 0.44 -1.04 -1.26 -5.08 114.28 99.90 1xl0 n THR 324 Ca -0.39 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.20 1xl0 n THR 324 Cb 0.75 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.24 1xl0 n THR 324 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1xl0 n ASN 325 N 1.07 5.17 0.00 8.00 4.05 -1.26 -4.84 115.26 127.45 1xl0 n ASN 325 Ca 0.00 -3.09 0.11 0.00 0.45 0.00 0.00 54.58 52.05 1xl0 n ASN 325 Cb 0.00 -1.27 0.58 0.00 1.23 0.00 0.00 39.78 40.32 1xl0 n ASN 325 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1xl0 n PHE 326 N 2.46 0.00 0.10 1.20 3.72 -1.26 -2.53 117.46 121.15 1xl0 n PHE 326 Ca 0.24 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.63 1xl0 n PHE 326 Cb 0.38 -0.27 0.29 0.00 -0.94 0.00 0.00 39.48 38.94 1xl0 n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1xl0 h ASP 327 N 0.00 0.24 0.03 4.37 5.19 -1.98 -1.66 116.42 122.61 1xl0 h ASP 327 Ca 0.00 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1xl0 h ASP 327 Cb 0.20 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.64 1xl0 h ASP 327 CO 0.00 0.53 -0.06 0.00 -3.12 0.00 0.00 179.24 176.60 1xl0 n ALA 328 N -2.48 2.68 -0.09 3.45 0.00 -1.05 -4.33 120.51 118.68 1xl0 n ALA 328 Ca -0.01 -0.46 -0.06 0.00 0.00 0.00 0.00 53.44 52.91 1xl0 n ALA 328 Cb 0.39 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1xl0 n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1xl0 h PHE 329 N 2.33 -0.14 0.00 0.00 3.04 -1.37 -0.43 116.94 120.37 1xl0 h PHE 329 Ca 0.00 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 1xl0 h PHE 329 Cb 0.55 0.12 -0.00 0.00 2.56 0.00 0.00 35.95 39.17 1xl0 h PHE 329 CO 0.00 -0.13 -0.02 -1.35 -2.02 0.00 0.00 178.31 174.79 1xl0 h PRO 330 N 0.02 0.00 0.00 6.41 0.11 -1.76 0.13 132.00 136.91 1xl0 h PRO 330 Ca 0.16 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 1xl0 h PRO 330 Cb 0.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 1xl0 h PRO 330 CO -0.33 0.02 -0.17 -0.44 -0.21 0.00 0.00 178.00 176.87 1xl0 h ASP 331 N 0.00 0.00 -0.00 -2.05 3.32 -1.36 -3.32 116.42 113.01 1xl0 h ASP 331 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xl0 h ASP 331 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1xl0 h ASP 331 CO 0.00 0.10 -0.24 0.29 -1.72 0.00 0.00 179.24 177.68 1xl0 n LYS 332 N -3.10 2.98 -3.91 3.56 4.76 -0.65 -4.55 118.16 117.26 1xl0 n LYS 332 Ca 0.03 -0.35 -0.15 0.00 -2.87 0.00 0.00 58.31 54.97 1xl0 n LYS 332 Cb 0.57 -0.97 -0.15 0.00 -1.84 0.00 0.00 35.03 32.64 1xl0 n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1xl0 s VAL 333 N -1.39 0.10 -0.06 -0.18 1.01 0.38 -0.73 120.40 119.54 1xl0 s VAL 333 Ca 0.05 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1xl0 s VAL 333 Cb 0.06 -0.15 0.02 0.00 0.00 0.00 0.00 36.38 36.31 1xl0 s VAL 333 CO 0.25 0.08 -0.09 0.00 0.00 0.00 0.00 175.10 175.34 1xl0 s ALA 334 N 0.49 0.98 -0.20 5.51 0.00 -0.46 -4.47 121.76 123.61 1xl0 s ALA 334 Ca -0.04 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1xl0 s ALA 334 Cb -0.07 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.57 1xl0 s ALA 334 CO -0.01 0.05 -0.15 0.42 0.00 0.00 0.00 175.76 176.06 1xl0 s ILE 335 N 0.80 2.33 -0.23 0.00 1.01 -0.08 -0.26 121.20 124.76 1xl0 s ILE 335 Ca -0.13 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 59.43 1xl0 s ILE 335 Cb -0.15 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1xl0 s ILE 335 CO 0.02 0.40 0.11 -1.58 0.00 0.00 0.00 174.94 173.89 1xl0 s GLN 336 N 1.29 3.90 -0.33 2.79 2.00 0.06 -1.37 119.66 128.00 1xl0 s GLN 336 Ca 0.02 -0.36 -0.17 0.00 -2.00 0.00 0.00 55.36 52.85 1xl0 s GLN 336 Cb -0.15 -3.41 -0.01 0.00 0.80 0.00 0.00 33.01 30.24 1xl0 s GLN 336 CO -0.10 0.00 0.46 -0.51 -0.50 0.00 0.00 175.29 174.65 1xl0 s LEU 337 N 1.15 4.31 -0.92 3.68 1.43 0.16 -1.46 118.68 127.04 1xl0 s LEU 337 Ca 0.06 0.01 -0.23 0.00 -1.03 0.00 0.00 54.13 52.93 1xl0 s LEU 337 Cb -0.14 -2.52 0.06 0.00 0.03 0.00 0.00 46.19 43.62 1xl0 s LEU 337 CO 0.04 -0.40 1.34 0.21 0.23 0.00 0.00 176.35 177.77 1xl0 s ASN 338 N 1.72 6.41 0.52 2.29 2.47 -0.74 -2.01 114.94 125.61 1xl0 s ASN 338 Ca 0.17 -1.26 0.00 0.00 0.42 0.00 0.00 52.86 52.19 1xl0 s ASN 338 Cb -0.16 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 1xl0 s ASN 338 CO 0.12 -1.53 0.00 -0.67 -3.72 0.00 0.00 177.10 171.30 1xl0 n ASP 339 N 8.64 -2.20 -0.29 -4.21 2.03 -0.47 -4.09 116.55 115.97 1xl0 n ASP 339 Ca 0.22 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.67 1xl0 n ASP 339 Cb 0.50 0.00 0.52 0.00 -0.72 0.00 0.00 41.12 41.42 1xl0 n ASP 339 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1xl0 n THR 340 N -0.44 0.00 -0.33 5.18 -2.24 -1.26 -4.31 114.28 110.88 1xl0 n THR 340 Ca 0.00 -0.15 0.15 0.00 -2.27 0.00 0.00 64.05 61.78 1xl0 n THR 340 Cb 0.00 0.27 0.37 0.00 -2.10 0.00 0.00 70.33 68.87 1xl0 n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1xl0 h HIS 341 N 1.40 0.94 -0.62 4.78 3.86 -1.96 0.12 115.15 123.66 1xl0 h HIS 341 Ca 0.00 0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.07 1xl0 h HIS 341 Cb 0.44 -0.28 -0.10 0.00 1.06 0.00 0.00 27.41 28.53 1xl0 h HIS 341 CO 0.00 0.21 0.18 -0.35 0.86 0.00 0.00 177.93 178.83 1xl0 n PRO 342 N -4.70 3.51 0.23 2.45 -0.04 -1.26 -4.65 135.00 130.55 1xl0 n PRO 342 Ca 0.23 -3.07 0.18 0.00 -0.04 0.00 0.00 63.50 60.79 1xl0 n PRO 342 Cb 0.62 -2.13 0.87 0.00 -0.04 0.00 0.00 33.50 32.81 1xl0 n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xl0 h SER 343 N 2.47 0.00 0.22 3.54 4.64 -1.00 -1.38 113.55 122.03 1xl0 h SER 343 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1xl0 h SER 343 Cb 2.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.21 1xl0 h SER 343 CO 0.62 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.76 1xl0 n LEU 344 N -3.63 0.00 0.12 5.97 4.77 -1.26 -2.10 117.00 120.86 1xl0 n LEU 344 Ca 0.01 0.35 0.04 0.00 -0.03 0.00 0.00 56.01 56.38 1xl0 n LEU 344 Cb 0.31 -0.35 0.45 0.00 -2.33 0.00 0.00 43.42 41.50 1xl0 n LEU 344 CO 0.25 -0.24 0.98 0.00 -1.33 0.00 0.00 177.39 177.05 1xl0 h ALA 345 N 2.41 1.64 0.55 -1.18 0.00 -1.61 -0.07 119.26 120.99 1xl0 h ALA 345 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1xl0 h ALA 345 Cb 0.11 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1xl0 h ALA 345 CO 0.00 0.27 -0.26 0.82 0.00 0.00 0.00 179.25 180.07 1xl0 h ILE 346 N 0.25 0.34 0.00 0.00 2.04 -1.67 0.56 117.51 119.03 1xl0 h ILE 346 Ca 0.06 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 1xl0 h ILE 346 Cb 0.21 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1xl0 h ILE 346 CO 0.01 0.04 -0.30 1.55 0.00 0.00 0.00 178.15 179.45 1xl0 h PRO 347 N -0.99 0.00 -0.39 2.37 0.13 -1.73 -2.27 132.00 129.13 1xl0 h PRO 347 Ca -0.08 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.92 1xl0 h PRO 347 Cb 0.63 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 1xl0 h PRO 347 CO 0.12 0.30 -0.28 1.49 -0.23 0.00 0.00 178.00 179.40 1xl0 h GLU 348 N 0.00 0.87 -0.55 0.86 4.57 -0.96 0.10 114.58 119.47 1xl0 h GLU 348 Ca -0.00 -0.42 -0.04 0.00 -1.18 0.00 0.00 59.36 57.71 1xl0 h GLU 348 Cb 0.81 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.37 1xl0 h GLU 348 CO 0.04 1.07 0.18 1.25 -1.18 0.00 0.00 179.01 180.37 1xl0 h LEU 349 N 0.68 0.79 -0.75 1.64 5.85 -0.69 -1.13 115.31 121.71 1xl0 h LEU 349 Ca 0.07 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1xl0 h LEU 349 Cb 0.86 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1xl0 h LEU 349 CO 0.08 0.78 0.41 0.24 -0.34 0.00 0.00 178.44 179.60 1xl0 h MET 350 N 0.76 1.05 -0.22 1.25 2.86 -1.24 -1.10 114.93 118.29 1xl0 h MET 350 Ca 0.18 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1xl0 h MET 350 Cb 0.27 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1xl0 h MET 350 CO -0.01 0.79 0.13 -0.09 1.06 0.00 0.00 176.91 178.80 1xl0 h ARG 351 N 1.04 0.27 -0.24 1.72 2.43 -0.32 0.13 114.38 119.40 1xl0 h ARG 351 Ca 0.26 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1xl0 h ARG 351 Cb 0.05 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1xl0 h ARG 351 CO -0.04 0.18 0.07 0.28 -1.51 0.00 0.00 179.97 178.95 1xl0 h VAL 352 N 0.28 1.20 -0.52 0.20 2.07 -0.97 0.13 116.25 118.64 1xl0 h VAL 352 Ca 0.09 -0.64 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 1xl0 h VAL 352 Cb -0.01 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1xl0 h VAL 352 CO -0.03 0.21 0.04 -0.07 0.02 0.00 0.00 177.57 177.73 1xl0 h LEU 353 N 0.23 0.87 0.00 2.57 3.38 -1.05 0.50 115.31 121.81 1xl0 h LEU 353 Ca 0.08 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1xl0 h LEU 353 Cb 0.25 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1xl0 h LEU 353 CO -0.00 0.94 -0.05 0.58 0.09 0.00 0.00 178.44 180.00 1xl0 h VAL 354 N 0.77 0.63 -0.16 1.22 2.07 -0.73 0.11 116.25 120.16 1xl0 h VAL 354 Ca 0.15 -1.49 -0.20 0.00 0.82 0.00 0.00 66.70 65.99 1xl0 h VAL 354 Cb 0.48 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1xl0 h VAL 354 CO 0.02 0.21 -0.71 0.44 0.02 0.00 0.00 177.57 177.56 1xl0 h ASP 355 N -1.00 0.81 0.01 0.57 3.45 -0.88 -2.90 116.42 116.49 1xl0 h ASP 355 Ca -0.01 -0.51 -0.40 0.00 0.43 0.00 0.00 57.03 56.55 1xl0 h ASP 355 Cb 0.39 -0.24 -0.06 0.00 -0.56 0.00 0.00 39.33 38.86 1xl0 h ASP 355 CO -0.01 1.28 -2.42 0.18 -1.57 0.00 0.00 179.24 176.71 1xl0 n LEU 356 N -3.93 2.75 0.03 1.55 4.77 -0.62 -4.49 117.00 117.07 1xl0 n LEU 356 Ca -0.06 -0.01 0.12 0.00 -0.03 0.00 0.00 56.01 56.03 1xl0 n LEU 356 Cb 0.70 -0.92 0.20 0.00 -2.33 0.00 0.00 43.42 41.08 1xl0 n LEU 356 CO 0.51 0.86 0.38 -0.62 -1.33 0.00 0.00 177.39 177.18 1xl0 n GLU 357 N -3.47 0.14 -2.56 3.23 -0.58 0.07 -4.98 120.64 112.50 1xl0 n GLU 357 Ca -0.46 0.03 -0.15 0.00 -0.42 0.00 0.00 57.16 56.17 1xl0 n GLU 357 Cb 0.97 -1.58 0.01 0.00 -0.57 0.00 0.00 31.44 30.27 1xl0 n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1xl0 n ARG 358 N -1.79 -2.41 -2.73 3.49 5.12 -0.63 -4.96 116.66 112.76 1xl0 n ARG 358 Ca 0.04 0.65 -0.32 0.00 -1.93 0.00 0.00 57.85 56.29 1xl0 n ARG 358 Cb 0.39 -4.92 -0.05 0.00 -1.16 0.00 0.00 32.46 26.72 1xl0 n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1xl0 s LEU 359 N -4.43 3.83 0.62 0.55 1.02 0.28 -4.98 118.68 115.57 1xl0 s LEU 359 Ca 0.12 1.47 -0.16 0.00 0.02 0.00 0.00 54.13 55.57 1xl0 s LEU 359 Cb -0.05 -4.35 -0.02 0.00 0.02 0.00 0.00 46.19 41.79 1xl0 s LEU 359 CO 0.15 -0.42 1.10 1.51 0.02 0.00 0.00 176.35 178.71 1xl0 s ASP 360 N -2.70 5.40 0.12 2.29 -4.77 -1.26 -4.40 116.67 111.35 1xl0 s ASP 360 Ca 0.57 2.01 -0.32 0.00 -3.30 0.00 0.00 52.55 51.51 1xl0 s ASP 360 Cb -0.10 -2.56 -0.10 0.00 -1.09 0.00 0.00 42.92 39.07 1xl0 s ASP 360 CO 0.24 -1.43 1.56 -0.25 0.70 0.00 0.00 175.17 175.99 1xl0 h TRP 361 N 0.42 -1.50 -1.00 2.11 2.91 -1.97 -1.31 115.95 115.61 1xl0 h TRP 361 Ca -0.48 0.06 0.18 0.00 1.13 0.00 0.00 58.89 59.79 1xl0 h TRP 361 Cb 1.24 0.67 -0.11 0.00 -0.51 0.00 0.00 29.16 30.46 1xl0 h TRP 361 CO 0.54 -0.53 0.61 -0.44 -1.03 0.00 0.00 178.44 177.59 1xl0 h ASP 362 N -0.55 0.79 -0.20 2.65 3.45 -1.99 0.18 116.42 120.74 1xl0 h ASP 362 Ca 0.05 0.09 -0.08 0.00 0.43 0.00 0.00 57.03 57.52 1xl0 h ASP 362 Cb 0.67 -0.05 -0.00 0.00 -0.56 0.00 0.00 39.33 39.39 1xl0 h ASP 362 CO -0.44 0.29 -0.19 0.50 -1.57 0.00 0.00 179.24 177.83 1xl0 h LYS 363 N 0.77 0.49 -0.70 3.56 1.63 -1.82 -2.13 116.57 118.38 1xl0 h LYS 363 Ca 0.57 -0.25 0.01 0.00 -0.85 0.00 0.00 60.65 60.13 1xl0 h LYS 363 Cb 0.87 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.47 1xl0 h LYS 363 CO -0.38 0.83 0.46 0.00 -3.45 0.00 0.00 179.45 176.91 1xl0 h ALA 364 N 0.65 0.89 -0.78 5.00 0.00 -0.09 -2.00 119.26 122.93 1xl0 h ALA 364 Ca 0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1xl0 h ALA 364 Cb 0.73 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1xl0 h ALA 364 CO 0.05 0.29 0.30 2.35 0.00 0.00 0.00 179.25 182.23 1xl0 h TRP 365 N 0.93 1.20 -0.37 0.00 2.91 -0.64 -0.44 115.95 119.54 1xl0 h TRP 365 Ca 0.26 -0.10 -0.00 0.00 1.13 0.00 0.00 58.89 60.18 1xl0 h TRP 365 Cb -0.08 -0.36 -0.02 0.00 -0.51 0.00 0.00 29.16 28.19 1xl0 h TRP 365 CO -0.03 0.92 0.22 1.49 -1.03 0.00 0.00 178.44 180.01 1xl0 h GLU 366 N 1.14 0.50 -0.41 2.65 4.81 -0.96 -0.98 114.58 121.33 1xl0 h GLU 366 Ca 0.26 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1xl0 h GLU 366 Cb 0.24 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1xl0 h GLU 366 CO -0.02 0.38 0.18 0.28 -0.73 0.00 0.00 179.01 179.10 1xl0 h VAL 367 N 0.48 1.19 -0.02 0.32 2.07 -1.04 -2.38 116.25 116.88 1xl0 h VAL 367 Ca 0.13 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1xl0 h VAL 367 Cb 0.01 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1xl0 h VAL 367 CO -0.02 0.21 0.01 0.74 0.02 0.00 0.00 177.57 178.53 1xl0 h THR 368 N 0.52 1.01 -0.52 2.57 2.02 -0.80 -1.71 112.91 116.01 1xl0 h THR 368 Ca 0.14 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 67.31 1xl0 h THR 368 Cb 0.16 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1xl0 h THR 368 CO -0.01 0.01 0.32 0.58 0.37 0.00 0.00 175.52 176.79 1xl0 h VAL 369 N 0.02 1.09 0.00 3.16 2.07 -1.13 -0.87 116.25 120.58 1xl0 h VAL 369 Ca 0.01 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1xl0 h VAL 369 Cb 0.00 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1xl0 h VAL 369 CO -0.00 0.12 0.00 0.11 0.02 0.00 0.00 177.57 177.82 1xl0 h LYS 370 N 0.65 0.00 0.12 1.57 1.57 -1.30 -1.95 116.57 117.23 1xl0 h LYS 370 Ca 0.20 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.62 1xl0 h LYS 370 Cb -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1xl0 h LYS 370 CO -0.07 0.00 -1.96 1.15 -0.57 0.00 0.00 179.45 178.00 1xl0 h THR 371 N 0.00 0.66 -3.18 -0.16 2.02 -0.60 -3.47 112.91 108.18 1xl0 h THR 371 Ca 0.00 -2.38 -0.58 0.00 0.77 0.00 0.00 66.41 64.22 1xl0 h THR 371 Cb 0.47 2.53 -0.04 0.00 -1.74 0.00 0.00 68.15 69.36 1xl0 h THR 371 CO 0.00 0.88 -0.18 0.00 0.37 0.00 0.00 175.52 176.58 1xl0 s ALA 373 N -1.39 0.27 -0.07 0.00 0.00 -0.47 -1.54 121.76 118.55 1xl0 s ALA 373 Ca 0.34 -0.27 0.05 0.00 0.00 0.00 0.00 51.96 52.08 1xl0 s ALA 373 Cb -0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.95 1xl0 s ALA 373 CO 0.18 0.02 -0.22 -0.47 0.00 0.00 0.00 175.76 175.27 1xl0 s TYR 374 N -0.42 2.24 -0.20 0.00 6.14 -0.02 -0.66 117.35 124.43 1xl0 s TYR 374 Ca -0.02 -0.77 -0.04 0.00 0.64 0.00 0.00 57.07 56.88 1xl0 s TYR 374 Cb -0.03 -1.49 -0.01 0.00 0.42 0.00 0.00 41.96 40.84 1xl0 s TYR 374 CO -0.00 -0.28 -0.05 0.99 0.64 0.00 0.00 175.55 176.85 1xl0 s THR 375 N 0.14 3.43 -0.00 4.34 2.01 -0.85 -1.42 115.64 123.27 1xl0 s THR 375 Ca -0.10 -0.49 -0.13 0.00 0.31 0.00 0.00 61.69 61.28 1xl0 s THR 375 Cb -0.15 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.76 1xl0 s THR 375 CO 0.05 0.44 0.37 0.21 -0.69 0.00 0.00 174.62 175.00 1xl0 s ASN 376 N 1.24 6.73 0.00 3.53 3.84 -0.25 -1.36 114.94 128.66 1xl0 s ASN 376 Ca 0.03 0.87 0.00 0.00 0.21 0.00 0.00 52.86 53.97 1xl0 s ASN 376 Cb -0.14 -2.22 0.00 0.00 -0.55 0.00 0.00 41.25 38.34 1xl0 s ASN 376 CO -0.01 0.32 0.72 1.41 -2.79 0.00 0.00 177.10 176.74 1xl0 n HIS 377 N 1.71 0.00 -3.46 0.43 8.25 -1.26 -4.01 115.22 116.88 1xl0 n HIS 377 Ca -0.14 -0.25 -0.11 0.00 -0.26 0.00 0.00 57.72 56.96 1xl0 n HIS 377 Cb 0.53 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.59 1xl0 n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1xl0 s THR 378 N -0.50 0.00 0.00 1.59 -1.32 -1.26 -4.51 115.64 109.65 1xl0 s THR 378 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1xl0 s THR 378 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1xl0 s THR 378 CO 0.00 0.00 0.44 1.33 -2.21 0.00 0.00 174.62 174.18 1xl0 n VAL 379 N -0.23 0.08 -2.12 5.08 0.24 -1.26 -5.00 118.33 115.11 1xl0 n VAL 379 Ca -0.14 -0.42 -0.42 0.00 -2.04 0.00 0.00 64.34 61.31 1xl0 n VAL 379 Cb 0.63 1.17 -0.03 0.00 -1.47 0.00 0.00 33.84 34.14 1xl0 n VAL 379 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1xl0 s LEU 380 N -0.08 4.29 0.33 1.34 1.43 -1.26 -4.90 118.68 119.83 1xl0 s LEU 380 Ca 0.00 2.11 0.07 0.00 -1.03 0.00 0.00 54.13 55.29 1xl0 s LEU 380 Cb 0.00 -3.54 0.77 0.00 0.03 0.00 0.00 46.19 43.45 1xl0 s LEU 380 CO 0.00 -0.86 1.83 1.55 0.23 0.00 0.00 176.35 179.11 1xl0 h PRO 381 N 8.92 0.73 0.00 1.29 0.13 -1.97 -0.88 132.00 140.22 1xl0 h PRO 381 Ca -0.36 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1xl0 h PRO 381 Cb 1.16 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1xl0 h PRO 381 CO 0.95 0.48 0.00 -0.85 -0.23 0.00 0.00 178.00 178.35 1xl0 n GLU 382 N -4.63 0.11 -0.00 0.86 0.00 -1.26 -2.83 120.64 112.88 1xl0 n GLU 382 Ca 0.20 0.16 0.10 0.00 0.00 0.00 0.00 57.16 57.62 1xl0 n GLU 382 Cb 0.50 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.31 1xl0 n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xl0 n ALA 383 N -1.41 3.88 -2.16 -1.84 0.00 -0.34 -0.26 120.51 118.38 1xl0 n ALA 383 Ca 0.06 -0.55 -0.41 0.00 0.00 0.00 0.00 53.44 52.54 1xl0 n ALA 383 Cb 0.18 -0.74 -0.04 0.00 0.00 0.00 0.00 19.45 18.85 1xl0 n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xl0 s LEU 384 N -3.63 4.48 -0.17 0.00 1.43 -1.13 -4.29 118.68 115.36 1xl0 s LEU 384 Ca 0.01 2.01 -0.29 0.00 -1.03 0.00 0.00 54.13 54.84 1xl0 s LEU 384 Cb 0.15 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.77 1xl0 s LEU 384 CO 0.87 -0.22 0.99 -1.61 0.23 0.00 0.00 176.35 176.61 1xl0 s GLU 385 N -0.11 4.32 -0.32 1.70 2.02 -1.26 -4.80 118.70 120.25 1xl0 s GLU 385 Ca 0.50 1.31 -0.01 0.00 0.02 0.00 0.00 54.97 56.78 1xl0 s GLU 385 Cb -0.28 -3.59 0.11 0.00 0.10 0.00 0.00 34.13 30.47 1xl0 s GLU 385 CO 0.33 -0.46 0.14 1.03 0.02 0.00 0.00 175.26 176.32 1xl0 s ARG 386 N 2.58 0.57 -0.01 1.61 0.52 -1.26 -2.06 118.95 120.90 1xl0 s ARG 386 Ca 0.45 -1.02 -0.24 0.00 -0.52 0.00 0.00 55.73 54.39 1xl0 s ARG 386 Cb -0.16 -1.65 -0.04 0.00 0.52 0.00 0.00 34.95 33.61 1xl0 s ARG 386 CO 0.12 -1.05 0.74 -1.58 0.02 0.00 0.00 175.30 173.55 1xl0 s TRP 387 N 1.57 3.65 0.29 -0.53 0.52 -0.77 -4.73 118.94 118.95 1xl0 s TRP 387 Ca 0.11 1.37 -0.30 0.00 0.02 0.00 0.00 56.10 57.30 1xl0 s TRP 387 Cb -0.18 -2.82 -0.11 0.00 -1.15 0.00 0.00 33.47 29.20 1xl0 s TRP 387 CO -0.23 0.17 1.61 -2.14 0.02 0.00 0.00 176.95 176.37 1xl0 s PRO 388 N 0.43 4.11 0.32 4.98 0.02 -1.26 -0.37 135.00 143.23 1xl0 s PRO 388 Ca 0.39 2.60 0.00 0.00 0.02 0.00 0.00 61.00 64.01 1xl0 s PRO 388 Cb -0.19 -3.02 0.53 0.00 0.02 0.00 0.00 34.50 31.84 1xl0 s PRO 388 CO 0.21 -0.65 1.97 0.28 -0.33 0.00 0.00 177.00 178.48 1xl0 h VAL 389 N 3.39 1.16 0.00 3.83 2.07 -1.34 -1.85 116.25 123.51 1xl0 h VAL 389 Ca -0.47 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1xl0 h VAL 389 Cb 1.22 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1xl0 h VAL 389 CO 0.80 0.18 -0.05 1.12 0.02 0.00 0.00 177.57 179.64 1xl0 h HIS 390 N 1.01 0.00 -0.03 1.57 2.07 -1.90 0.18 115.15 118.05 1xl0 h HIS 390 Ca 0.30 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.78 1xl0 h HIS 390 Cb -0.04 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.95 1xl0 h HIS 390 CO -0.00 0.05 -0.13 -0.07 -3.07 0.00 0.00 177.93 174.71 1xl0 h LEU 391 N 0.00 0.16 -1.00 6.12 3.38 -1.71 -2.82 115.31 119.45 1xl0 h LEU 391 Ca -0.00 -0.66 -0.08 0.00 0.09 0.00 0.00 57.88 57.23 1xl0 h LEU 391 Cb 0.12 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1xl0 h LEU 391 CO 0.01 0.80 -0.15 -0.07 0.09 0.00 0.00 178.44 179.11 1xl0 h LEU 392 N -0.46 0.54 -0.80 1.67 3.38 -1.35 -0.81 115.31 117.48 1xl0 h LEU 392 Ca -0.01 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1xl0 h LEU 392 Cb 0.79 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 1xl0 h LEU 392 CO 0.03 0.71 0.50 -0.08 0.09 0.00 0.00 178.44 179.69 1xl0 h GLU 393 N 0.50 0.93 0.16 1.13 4.81 -0.67 0.26 114.58 121.70 1xl0 h GLU 393 Ca 0.09 -0.06 -0.31 0.00 -0.13 0.00 0.00 59.36 58.95 1xl0 h GLU 393 Cb 0.55 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.73 1xl0 h GLU 393 CO 0.04 0.61 -1.54 1.15 -0.73 0.00 0.00 179.01 178.53 1xl0 h THR 394 N 0.95 1.04 0.22 0.32 2.02 -1.28 -3.30 112.91 112.88 1xl0 h THR 394 Ca 0.33 -2.49 -0.32 0.00 0.77 0.00 0.00 66.41 64.71 1xl0 h THR 394 Cb 0.07 2.80 0.03 0.00 -1.74 0.00 0.00 68.15 69.30 1xl0 h THR 394 CO -0.13 0.79 -1.45 0.25 0.37 0.00 0.00 175.52 175.35 1xl0 h LEU 395 N -0.07 0.72 -6.00 2.58 5.85 -1.12 -3.37 115.31 113.90 1xl0 h LEU 395 Ca -0.31 -0.93 -0.55 0.00 0.84 0.00 0.00 57.88 56.93 1xl0 h LEU 395 Cb 1.95 -0.24 -0.40 0.00 0.37 0.00 0.00 40.66 42.35 1xl0 h LEU 395 CO 0.14 1.68 -1.04 0.18 -0.34 0.00 0.00 178.44 179.07 1xl0 n LEU 396 N -3.76 0.93 -0.33 2.25 4.77 0.90 -0.48 117.00 121.28 1xl0 n LEU 396 Ca -0.19 -4.88 0.09 0.00 -0.03 0.00 0.00 56.01 51.00 1xl0 n LEU 396 Cb 1.05 0.43 0.26 0.00 -2.33 0.00 0.00 43.42 42.83 1xl0 n LEU 396 CO 0.56 2.11 1.15 1.55 -1.33 0.00 0.00 177.39 181.44 1xl0 h PRO 397 N 3.83 0.71 -0.40 3.23 0.13 -1.59 -2.16 132.00 135.74 1xl0 h PRO 397 Ca 0.10 -0.04 -0.16 0.00 -0.87 0.00 0.00 66.00 65.03 1xl0 h PRO 397 Cb 0.85 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 1xl0 h PRO 397 CO 0.53 0.47 -0.36 -0.09 -0.23 0.00 0.00 178.00 178.32 1xl0 h ARG 398 N 0.73 0.95 -0.44 0.86 9.65 -1.91 -2.89 114.38 121.33 1xl0 h ARG 398 Ca 0.51 -0.49 -0.04 0.00 -1.10 0.00 0.00 59.98 58.86 1xl0 h ARG 398 Cb 0.72 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.29 1xl0 h ARG 398 CO -0.36 1.15 0.09 0.45 2.80 0.00 0.00 179.97 184.10 1xl0 h HIS 399 N 0.78 0.68 -0.53 2.20 3.86 -1.77 -1.34 115.15 119.03 1xl0 h HIS 399 Ca 0.07 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.18 1xl0 h HIS 399 Cb 0.96 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.20 1xl0 h HIS 399 CO 0.06 0.60 0.18 1.25 0.86 0.00 0.00 177.93 180.88 1xl0 h LEU 400 N 0.65 0.76 -0.62 2.43 6.46 -1.32 0.58 115.31 124.25 1xl0 h LEU 400 Ca 0.15 -0.19 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 1xl0 h LEU 400 Cb 0.27 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 39.97 1xl0 h LEU 400 CO -0.00 0.75 0.31 1.56 -0.62 0.00 0.00 178.44 180.43 1xl0 h GLN 401 N 0.73 0.88 -0.61 1.25 4.20 -1.23 -0.68 115.11 119.65 1xl0 h GLN 401 Ca 0.17 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 1xl0 h GLN 401 Cb 0.25 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1xl0 h GLN 401 CO -0.01 0.70 0.10 0.82 -0.67 0.00 0.00 178.83 179.77 1xl0 h ILE 402 N 0.84 1.25 -0.70 2.54 2.04 -0.92 -1.86 117.51 120.71 1xl0 h ILE 402 Ca 0.21 -0.98 -0.07 0.00 1.00 0.00 0.00 64.86 65.03 1xl0 h ILE 402 Cb 0.10 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1xl0 h ILE 402 CO -0.03 0.36 0.17 0.40 0.00 0.00 0.00 178.15 179.06 1xl0 h ILE 403 N 0.93 1.26 -0.71 -0.67 2.04 -0.37 -0.30 117.51 119.69 1xl0 h ILE 403 Ca 0.19 -0.96 -0.05 0.00 1.00 0.00 0.00 64.86 65.03 1xl0 h ILE 403 Cb 0.40 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1xl0 h ILE 403 CO 0.01 0.37 0.24 1.88 0.00 0.00 0.00 178.15 180.65 1xl0 h TYR 404 N 1.06 1.13 -0.62 1.37 0.05 -0.79 -0.32 116.97 118.84 1xl0 h TYR 404 Ca 0.22 -0.11 -0.09 0.00 0.05 0.00 0.00 58.73 58.80 1xl0 h TYR 404 Cb 0.37 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 1xl0 h TYR 404 CO 0.03 0.89 0.04 1.49 -1.05 0.00 0.00 178.16 179.56 1xl0 h GLU 405 N 1.04 1.07 -0.45 4.88 4.57 -1.04 0.21 114.58 124.85 1xl0 h GLU 405 Ca 0.23 -0.32 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 1xl0 h GLU 405 Cb 0.28 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 1xl0 h GLU 405 CO -0.01 1.02 0.20 0.82 -1.18 0.00 0.00 179.01 179.86 1xl0 h ILE 406 N 0.97 1.19 -0.46 2.32 2.04 -0.73 -1.67 117.51 121.18 1xl0 h ILE 406 Ca 0.18 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1xl0 h ILE 406 Cb 0.51 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1xl0 h ILE 406 CO 0.02 0.21 0.19 -1.13 0.00 0.00 0.00 178.15 177.45 1xl0 h ASN 407 N 0.59 0.62 -0.13 1.72 -1.24 -0.78 0.37 115.58 116.74 1xl0 h ASN 407 Ca 0.15 -0.16 0.03 0.00 0.71 0.00 0.00 56.30 57.03 1xl0 h ASN 407 Cb 0.15 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.01 1xl0 h ASN 407 CO -0.02 0.61 -0.04 -0.61 -1.29 0.00 0.00 177.43 176.09 1xl0 h GLN 408 N 0.60 -0.01 -0.25 6.67 4.15 -0.75 0.53 115.11 126.05 1xl0 h GLN 408 Ca 0.15 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.46 1xl0 h GLN 408 Cb 0.17 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 1xl0 h GLN 408 CO -0.01 -0.00 -0.34 0.00 -1.93 0.00 0.00 178.83 176.54 1xl0 h ARG 409 N -0.01 0.54 -0.22 1.69 3.08 -1.14 -2.29 114.38 116.03 1xl0 h ARG 409 Ca 0.06 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.83 1xl0 h ARG 409 Cb 0.11 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1xl0 h ARG 409 CO -0.14 0.81 -0.02 0.35 -1.07 0.00 0.00 179.97 179.90 1xl0 h PHE 410 N 0.46 0.44 0.00 3.04 3.57 -0.56 -2.80 116.94 121.10 1xl0 h PHE 410 Ca 0.05 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 1xl0 h PHE 410 Cb 0.81 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1xl0 h PHE 410 CO 0.03 0.61 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.41 1xl0 h LEU 411 N 0.15 0.00 -0.98 0.59 3.38 -0.84 -1.33 115.31 116.28 1xl0 h LEU 411 Ca 0.06 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1xl0 h LEU 411 Cb 0.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1xl0 h LEU 411 CO 0.02 0.23 -0.18 0.78 0.09 0.00 0.00 178.44 179.37 1xl0 h ASN 412 N 0.00 0.52 -0.42 -0.43 -0.26 -1.25 0.11 115.58 113.84 1xl0 h ASN 412 Ca -0.00 -0.16 -0.15 0.00 -0.56 0.00 0.00 56.30 55.44 1xl0 h ASN 412 Cb 0.45 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.56 1xl0 h ASN 412 CO 0.03 0.72 -0.30 0.03 -1.06 0.00 0.00 177.43 176.84 1xl0 h ARG 413 N 0.48 0.96 -0.28 0.81 3.08 -1.01 -2.07 114.38 116.34 1xl0 h ARG 413 Ca 0.08 -0.46 -0.05 0.00 0.07 0.00 0.00 59.98 59.62 1xl0 h ARG 413 Cb 0.59 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1xl0 h ARG 413 CO 0.04 1.12 -0.01 0.28 -1.07 0.00 0.00 179.97 180.33 1xl0 h VAL 414 N 0.81 1.26 -0.63 2.04 2.07 -0.88 -2.05 116.25 118.86 1xl0 h VAL 414 Ca 0.09 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.67 1xl0 h VAL 414 Cb 0.89 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 1xl0 h VAL 414 CO 0.08 0.31 0.42 0.00 0.02 0.00 0.00 177.57 178.40 1xl0 h ALA 415 N 0.82 1.61 -0.02 1.67 0.00 -0.74 0.12 119.26 122.71 1xl0 h ALA 415 Ca 0.08 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1xl0 h ALA 415 Cb 0.45 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1xl0 h ALA 415 CO 0.02 0.34 -0.68 0.00 0.00 0.00 0.00 179.25 178.93 1xl0 h ALA 416 N 1.62 0.83 0.02 0.00 0.00 -1.17 -2.48 119.26 118.09 1xl0 h ALA 416 Ca 0.24 -0.61 -0.25 0.00 0.00 0.00 0.00 54.91 54.30 1xl0 h ALA 416 Cb -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1xl0 h ALA 416 CO -0.06 0.82 -1.29 0.00 0.00 0.00 0.00 179.25 178.72 1xl0 h ALA 417 N 1.25 0.45 -2.09 0.00 0.00 -0.61 -3.39 119.26 114.88 1xl0 h ALA 417 Ca -0.01 -1.10 -0.57 0.00 0.00 0.00 0.00 54.91 53.23 1xl0 h ALA 417 Cb 1.21 0.10 -0.40 0.00 0.00 0.00 0.00 17.79 18.69 1xl0 h ALA 417 CO 0.09 1.32 -0.91 1.19 0.00 0.00 0.00 179.25 180.95 1xl0 n PHE 418 N -3.28 1.39 -1.62 0.00 3.72 0.32 -5.10 117.46 112.89 1xl0 n PHE 418 Ca -0.08 -3.82 -0.51 0.00 -0.05 0.00 0.00 57.45 52.99 1xl0 n PHE 418 Cb 0.99 -0.44 -0.06 0.00 -0.94 0.00 0.00 39.48 39.04 1xl0 n PHE 418 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1xl0 n PRO 419 N 0.98 1.43 0.00 -1.08 -0.02 -0.93 -1.81 135.00 133.57 1xl0 n PRO 419 Ca 0.25 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1xl0 n PRO 419 Cb 0.49 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1xl0 n PRO 419 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xl0 n GLY 420 N 2.90 2.80 3.36 -1.23 0.00 -1.26 -4.94 105.19 106.82 1xl0 n GLY 420 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1xl0 n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xl0 n ASP 421 N 0.00 4.70 0.20 1.61 4.64 -0.75 -4.77 116.55 122.19 1xl0 n ASP 421 Ca 0.00 -2.91 0.04 0.00 -1.38 0.00 0.00 54.79 50.54 1xl0 n ASP 421 Cb 0.00 -1.72 0.44 0.00 -1.04 0.00 0.00 41.12 38.81 1xl0 n ASP 421 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 1xl0 h VAL 422 N 5.13 1.18 -0.23 5.18 -1.51 -1.92 -2.82 116.25 121.25 1xl0 h VAL 422 Ca 0.47 -0.88 -0.15 0.00 -1.23 0.00 0.00 66.70 64.91 1xl0 h VAL 422 Cb 0.81 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 31.43 1xl0 h VAL 422 CO 1.55 0.25 -0.48 -0.78 -1.23 0.00 0.00 177.57 176.88 1xl0 h ASP 423 N 0.01 0.69 -0.93 4.19 3.58 -1.99 -2.80 116.42 119.15 1xl0 h ASP 423 Ca -0.00 -0.34 -0.00 0.00 0.42 0.00 0.00 57.03 57.11 1xl0 h ASP 423 Cb 0.45 -0.19 -0.05 0.00 1.72 0.00 0.00 39.33 41.26 1xl0 h ASP 423 CO 0.03 1.06 0.58 -0.09 -2.88 0.00 0.00 179.24 177.94 1xl0 h ARG 424 N 0.50 1.26 -0.29 0.28 2.43 -1.91 0.32 114.38 116.96 1xl0 h ARG 424 Ca 0.03 -0.10 0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1xl0 h ARG 424 Cb 1.02 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 1xl0 h ARG 424 CO 0.10 0.87 0.08 -0.07 -1.51 0.00 0.00 179.97 179.44 1xl0 h LEU 425 N 1.28 0.07 -0.86 3.80 3.38 -1.36 0.93 115.31 122.57 1xl0 h LEU 425 Ca 0.34 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.22 1xl0 h LEU 425 Cb -0.08 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1xl0 h LEU 425 CO -0.07 0.08 -0.57 0.08 0.09 0.00 0.00 178.44 178.05 1xl0 h ARG 426 N 0.20 0.01 -0.15 1.13 -0.00 -1.20 -1.86 114.38 112.52 1xl0 h ARG 426 Ca 0.13 -0.01 -0.17 0.00 -0.00 0.00 0.00 59.98 59.93 1xl0 h ARG 426 Cb 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.08 1xl0 h ARG 426 CO -0.15 0.58 -0.62 0.00 -0.00 0.00 0.00 179.97 179.78 1xl0 h ARG 427 N 0.01 0.52 0.00 0.08 3.08 -0.33 -3.24 114.38 114.49 1xl0 h ARG 427 Ca -0.01 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.68 1xl0 h ARG 427 Cb 1.01 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1xl0 h ARG 427 CO 0.07 0.98 -0.55 -1.33 -1.07 0.00 0.00 179.97 178.07 1xl0 n MET 428 N -3.92 0.18 -1.60 0.04 2.81 0.27 -4.96 117.12 109.94 1xl0 n MET 428 Ca -0.04 0.05 -0.39 0.00 -1.81 0.00 0.00 57.70 55.51 1xl0 n MET 428 Cb 0.64 -1.61 0.03 0.00 -0.71 0.00 0.00 33.22 31.57 1xl0 n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1xl0 n SER 429 N -1.87 0.80 0.21 7.83 2.88 -0.71 -4.86 113.62 117.90 1xl0 n SER 429 Ca 0.04 0.90 0.11 0.00 -1.33 0.00 0.00 58.87 58.59 1xl0 n SER 429 Cb 0.40 -1.35 0.19 0.00 -0.75 0.00 0.00 64.21 62.69 1xl0 n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1xl0 h LEU 430 N 0.95 0.00 -8.90 2.46 3.38 -1.91 -3.43 115.31 107.86 1xl0 h LEU 430 Ca -0.46 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 56.87 1xl0 h LEU 430 Cb 1.36 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.93 1xl0 h LEU 430 CO 0.53 0.09 -0.53 -0.69 0.09 0.00 0.00 178.44 177.93 1xl0 s VAL 431 N -3.21 5.15 -0.21 1.22 1.01 -1.26 -0.12 120.40 122.99 1xl0 s VAL 431 Ca 0.06 0.11 -0.12 0.00 0.00 0.00 0.00 61.98 62.04 1xl0 s VAL 431 Cb 0.06 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 1xl0 s VAL 431 CO 0.67 0.29 0.20 -1.61 0.00 0.00 0.00 175.10 174.65 1xl0 s GLU 432 N 1.58 4.16 0.47 2.72 2.02 0.65 -4.96 118.70 125.35 1xl0 s GLU 432 Ca 0.07 -0.13 -0.02 0.00 0.02 0.00 0.00 54.97 54.90 1xl0 s GLU 432 Cb -0.15 -3.47 -0.01 0.00 0.10 0.00 0.00 34.13 30.59 1xl0 s GLU 432 CO 0.09 0.17 0.73 -2.00 0.02 0.00 0.00 175.26 174.26 1xl0 s GLU 433 N 0.72 3.20 0.00 1.61 2.56 -1.26 -1.82 118.70 123.71 1xl0 s GLU 433 Ca 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 54.97 54.86 1xl0 s GLU 433 Cb -0.13 -2.47 0.00 0.00 2.00 0.00 0.00 34.13 33.53 1xl0 s GLU 433 CO 0.02 -0.29 0.00 0.41 -0.56 0.00 0.00 175.26 174.84 1xl0 n GLY 434 N -2.19 0.58 0.12 -1.50 0.00 -1.26 -4.92 105.19 96.02 1xl0 n GLY 434 Ca 0.01 -1.56 -0.03 0.00 0.00 0.00 0.00 46.02 44.44 1xl0 n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xl0 n ALA 435 N -0.81 -0.18 -2.84 4.61 0.00 -1.26 -4.29 120.51 115.74 1xl0 n ALA 435 Ca 0.00 0.24 -0.27 0.00 0.00 0.00 0.00 53.44 53.41 1xl0 n ALA 435 Cb 0.00 0.29 -0.16 0.00 0.00 0.00 0.00 19.45 19.58 1xl0 n ALA 435 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1xl0 s VAL 436 N -3.74 1.55 0.34 0.00 -7.23 -1.26 -5.11 120.40 104.95 1xl0 s VAL 436 Ca -0.03 -0.79 -0.28 0.00 -1.81 0.00 0.00 61.98 59.07 1xl0 s VAL 436 Cb 0.03 -1.32 -0.10 0.00 0.56 0.00 0.00 36.38 35.55 1xl0 s VAL 436 CO 0.18 0.44 1.26 -0.54 -0.31 0.00 0.00 175.10 176.13 1xl0 s LYS 437 N -0.04 4.31 0.12 4.82 1.02 -1.26 -4.85 119.74 123.86 1xl0 s LYS 437 Ca -0.03 2.10 0.03 0.00 0.02 0.00 0.00 55.97 58.10 1xl0 s LYS 437 Cb -0.12 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 1xl0 s LYS 437 CO 0.02 -0.19 -0.08 1.03 -0.92 0.00 0.00 175.35 175.21 1xl0 s ARG 438 N -1.86 0.93 -0.20 1.68 0.52 -0.75 -0.87 118.95 118.40 1xl0 s ARG 438 Ca 0.50 -1.37 -0.06 0.00 -0.52 0.00 0.00 55.73 54.28 1xl0 s ARG 438 Cb -0.37 -0.40 -0.03 0.00 0.52 0.00 0.00 34.95 34.66 1xl0 s ARG 438 CO 0.49 0.03 0.03 0.42 0.02 0.00 0.00 175.30 176.28 1xl0 s ILE 439 N -3.41 4.26 -0.59 1.52 -1.09 0.50 -0.25 121.20 122.14 1xl0 s ILE 439 Ca 0.13 -0.21 -0.24 0.00 -2.23 0.00 0.00 60.65 58.10 1xl0 s ILE 439 Cb 0.03 -2.93 0.05 0.00 -1.58 0.00 0.00 42.46 38.03 1xl0 s ILE 439 CO -0.02 0.43 0.99 0.21 -1.23 0.00 0.00 174.94 175.32 1xl0 s ASN 440 N 0.81 6.30 0.43 3.58 3.84 0.83 -1.85 114.94 128.88 1xl0 s ASN 440 Ca 0.02 -0.45 0.12 0.00 0.21 0.00 0.00 52.86 52.76 1xl0 s ASN 440 Cb -0.14 -2.45 0.93 0.00 -0.55 0.00 0.00 41.25 39.04 1xl0 s ASN 440 CO 0.02 -1.34 1.98 0.24 -2.79 0.00 0.00 177.10 175.22 1xl0 h MET 441 N 9.44 0.15 -0.56 0.43 2.86 -1.72 -2.24 114.93 123.28 1xl0 h MET 441 Ca -0.27 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.31 1xl0 h MET 441 Cb 1.07 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 1xl0 h MET 441 CO 1.13 0.26 0.21 0.00 1.06 0.00 0.00 176.91 179.57 1xl0 h ALA 442 N 1.76 0.74 -0.63 6.32 0.00 -1.91 -0.43 119.26 125.11 1xl0 h ALA 442 Ca 0.03 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1xl0 h ALA 442 Cb 0.27 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1xl0 h ALA 442 CO 0.02 0.37 0.15 0.45 0.00 0.00 0.00 179.25 180.23 1xl0 h HIS 443 N 0.78 1.03 -0.32 0.00 3.86 -1.80 -1.48 115.15 117.23 1xl0 h HIS 443 Ca 0.19 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1xl0 h HIS 443 Cb 0.23 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 1xl0 h HIS 443 CO 0.01 0.85 0.20 1.25 0.86 0.00 0.00 177.93 181.10 1xl0 h LEU 444 N 0.95 0.37 -0.83 2.43 6.46 -0.97 -1.80 115.31 121.92 1xl0 h LEU 444 Ca 0.20 -0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 1xl0 h LEU 444 Cb 0.34 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.13 1xl0 h LEU 444 CO 0.00 0.29 0.47 0.00 -0.62 0.00 0.00 178.44 178.58 1xl0 h ILE 446 N 1.14 1.23 -0.98 0.00 2.04 -1.08 -2.26 117.51 117.61 1xl0 h ILE 446 Ca 0.29 -0.78 0.02 0.00 1.00 0.00 0.00 64.86 65.39 1xl0 h ILE 446 Cb 0.01 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 1xl0 h ILE 446 CO -0.05 0.24 0.65 0.00 0.00 0.00 0.00 178.15 178.99 1xl0 h ALA 447 N 0.81 1.32 -0.59 1.87 0.00 -1.15 -3.03 119.26 118.50 1xl0 h ALA 447 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xl0 h ALA 447 Cb 0.34 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xl0 h ALA 447 CO 0.01 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1xl0 n GLY 448 N -1.38 2.50 3.32 0.00 0.00 -0.62 -4.93 105.19 104.07 1xl0 n GLY 448 Ca 0.12 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 1xl0 n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xl0 s SER 449 N -0.84 2.82 0.00 1.61 0.01 -0.86 -3.96 113.70 112.49 1xl0 s SER 449 Ca 0.47 -0.68 0.26 0.00 1.31 0.00 0.00 55.95 57.31 1xl0 s SER 449 Cb 0.31 -0.18 0.61 0.00 0.21 0.00 0.00 66.02 66.96 1xl0 s SER 449 CO 0.22 0.12 1.48 0.00 0.41 0.00 0.00 173.24 175.48 1xl0 n HIS 450 N 1.17 0.00 -3.77 2.43 1.44 -0.59 -4.85 115.22 111.06 1xl0 n HIS 450 Ca -0.19 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.40 1xl0 n HIS 450 Cb 0.53 -0.24 -0.12 0.00 0.12 0.00 0.00 29.99 30.29 1xl0 n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1xl0 s ALA 451 N -2.89 -0.67 -0.07 1.59 0.00 -1.26 -4.55 121.76 113.91 1xl0 s ALA 451 Ca 0.14 0.84 0.01 0.00 0.00 0.00 0.00 51.96 52.95 1xl0 s ALA 451 Cb 0.18 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.82 1xl0 s ALA 451 CO 0.65 -0.15 -0.07 0.08 0.00 0.00 0.00 175.76 176.27 1xl0 s VAL 452 N 0.37 0.82 0.08 0.00 1.01 0.26 -0.84 120.40 122.10 1xl0 s VAL 452 Ca -0.02 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.76 1xl0 s VAL 452 Cb -0.04 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1xl0 s VAL 452 CO -0.02 0.30 -0.12 0.54 0.00 0.00 0.00 175.10 175.81 1xl0 s ASN 453 N 1.14 1.49 0.57 3.32 4.22 -0.51 -0.56 114.94 124.61 1xl0 s ASN 453 Ca -0.07 -0.66 0.03 0.00 -2.14 0.00 0.00 52.86 50.02 1xl0 s ASN 453 Cb -0.14 -0.02 0.06 0.00 1.28 0.00 0.00 41.25 42.43 1xl0 s ASN 453 CO -0.01 -0.15 0.80 -0.83 -2.04 0.00 0.00 177.10 174.86 1xl0 s GLY 454 N -1.93 1.82 -0.00 0.45 0.00 -0.92 -1.10 107.32 105.64 1xl0 s GLY 454 Ca -0.01 -1.62 0.12 0.00 0.00 0.00 0.00 44.72 43.21 1xl0 s GLY 454 CO 0.01 -1.25 1.28 3.33 0.00 0.00 0.00 173.10 176.47 1xl0 n VAL 455 N -2.36 1.01 -3.55 1.40 0.24 -1.26 -2.17 118.33 111.64 1xl0 n VAL 455 Ca 0.11 -1.01 -0.14 0.00 -2.04 0.00 0.00 64.34 61.26 1xl0 n VAL 455 Cb 0.60 0.49 -0.06 0.00 -1.47 0.00 0.00 33.84 33.41 1xl0 n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xl0 s ALA 456 N -1.02 -1.85 0.19 2.33 0.00 -1.26 -1.05 121.76 119.11 1xl0 s ALA 456 Ca 0.25 1.48 -0.13 0.00 0.00 0.00 0.00 51.96 53.56 1xl0 s ALA 456 Cb 0.13 -0.41 0.21 0.00 0.00 0.00 0.00 23.12 23.06 1xl0 s ALA 456 CO 0.17 -0.34 1.67 -0.09 0.00 0.00 0.00 175.76 177.18 1xl0 h ARG 457 N 2.89 0.09 -0.41 0.00 2.43 -1.90 0.00 114.38 117.49 1xl0 h ARG 457 Ca -0.23 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 58.87 1xl0 h ARG 457 Cb 1.15 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 1xl0 h ARG 457 CO 0.33 0.06 -0.03 0.97 -1.51 0.00 0.00 179.97 179.79 1xl0 h ILE 458 N 0.09 1.23 -0.18 1.20 2.10 -1.91 -1.83 117.51 118.22 1xl0 h ILE 458 Ca 0.27 -0.97 -0.04 0.00 1.08 0.00 0.00 64.86 65.20 1xl0 h ILE 458 Cb 0.42 0.96 -0.01 0.00 -1.09 0.00 0.00 36.82 37.10 1xl0 h ILE 458 CO -0.47 0.34 -0.03 -0.74 -1.08 0.00 0.00 178.15 176.16 1xl0 h HIS 459 N 0.63 0.38 -0.32 2.19 2.76 -1.53 -0.95 115.15 118.31 1xl0 h HIS 459 Ca 0.12 -0.08 -0.03 0.00 -2.20 0.00 0.00 60.37 58.19 1xl0 h HIS 459 Cb 0.44 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.29 1xl0 h HIS 459 CO 0.02 0.59 0.09 0.77 -1.30 0.00 0.00 177.93 178.10 1xl0 h SER 460 N 0.06 0.42 -0.17 3.26 0.02 -0.88 -0.43 113.55 115.83 1xl0 h SER 460 Ca 0.05 -0.05 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 1xl0 h SER 460 Cb 0.46 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1xl0 h SER 460 CO 0.02 0.42 -0.60 -0.33 -1.14 0.00 0.00 176.83 175.19 1xl0 h GLU 461 N 0.46 0.77 -0.62 3.45 4.39 -1.16 -2.84 114.58 119.03 1xl0 h GLU 461 Ca 0.11 -0.52 -0.04 0.00 0.34 0.00 0.00 59.36 59.24 1xl0 h GLU 461 Cb 0.16 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1xl0 h GLU 461 CO -0.01 1.15 0.21 0.82 -1.16 0.00 0.00 179.01 180.02 1xl0 h ILE 462 N 0.58 1.23 -0.40 3.13 2.04 -0.39 -1.23 117.51 122.47 1xl0 h ILE 462 Ca -0.00 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.09 1xl0 h ILE 462 Cb 1.20 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1xl0 h ILE 462 CO 0.13 0.30 0.26 -0.07 0.00 0.00 0.00 178.15 178.77 1xl0 h LEU 463 N 0.90 0.45 -1.04 1.44 3.38 -0.98 0.21 115.31 119.67 1xl0 h LEU 463 Ca 0.21 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 1xl0 h LEU 463 Cb 0.24 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1xl0 h LEU 463 CO -0.01 0.32 -0.44 0.11 0.09 0.00 0.00 178.44 178.51 1xl0 h LYS 464 N 0.53 0.00 0.00 1.13 1.57 -1.24 -0.40 116.57 118.16 1xl0 h LYS 464 Ca 0.15 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1xl0 h LYS 464 Cb -0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1xl0 h LYS 464 CO -0.04 0.44 -1.19 1.63 -0.57 0.00 0.00 179.45 179.72 1xl0 n LYS 465 N -3.79 0.61 0.00 3.15 5.02 -0.50 -3.76 118.16 118.90 1xl0 n LYS 465 Ca -0.01 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1xl0 n LYS 465 Cb 0.50 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1xl0 n LYS 465 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1xl0 n THR 466 N -2.66 0.00 0.02 -0.18 -2.24 0.72 -4.76 114.28 105.18 1xl0 n THR 466 Ca -0.02 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 61.97 1xl0 n THR 466 Cb 0.60 0.00 0.72 0.00 -2.10 0.00 0.00 70.33 69.55 1xl0 n THR 466 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 1xl0 h ILE 467 N 0.00 0.59 -0.09 2.28 3.07 -1.71 -2.12 117.51 119.53 1xl0 h ILE 467 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1xl0 h ILE 467 Cb 0.00 0.70 0.00 0.00 -0.27 0.00 0.00 36.82 37.25 1xl0 h ILE 467 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 1xl0 n PHE 468 N -4.14 0.27 -0.17 0.16 0.99 -0.17 -4.78 117.46 109.62 1xl0 n PHE 468 Ca 0.10 -0.87 -0.02 0.00 -0.00 0.00 0.00 57.45 56.66 1xl0 n PHE 468 Cb 0.63 -0.17 0.07 0.00 -1.00 0.00 0.00 39.48 39.01 1xl0 n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1xl0 h LYS 469 N 0.58 0.15 -0.87 -1.08 3.64 -1.32 0.11 116.57 117.77 1xl0 h LYS 469 Ca 0.00 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1xl0 h LYS 469 Cb 1.03 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.77 1xl0 h LYS 469 CO 0.06 0.10 0.58 -0.44 -2.27 0.00 0.00 179.45 177.47 1xl0 h ASP 470 N 0.15 0.99 -0.36 4.20 3.32 -1.86 -1.63 116.42 121.23 1xl0 h ASP 470 Ca 0.27 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.16 1xl0 h ASP 470 Cb 0.40 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1xl0 h ASP 470 CO -0.41 0.72 -0.27 -0.26 -1.72 0.00 0.00 179.24 177.29 1xl0 h PHE 471 N 1.17 1.02 -0.56 4.55 0.04 -1.70 -2.47 116.94 118.99 1xl0 h PHE 471 Ca 0.32 -0.26 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 1xl0 h PHE 471 Cb -0.12 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 37.77 1xl0 h PHE 471 CO -0.01 1.04 0.18 -0.92 -0.60 0.00 0.00 178.31 178.00 1xl0 h TYR 472 N 0.75 0.85 -0.09 -0.55 3.20 -0.61 0.25 116.97 120.77 1xl0 h TYR 472 Ca 0.09 -0.06 -0.12 0.00 3.14 0.00 0.00 58.73 61.77 1xl0 h TYR 472 Cb 0.83 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1xl0 h TYR 472 CO 0.05 0.69 -0.49 0.93 -1.64 0.00 0.00 178.16 177.69 1xl0 h GLU 473 N 0.81 0.23 0.03 1.82 5.08 -1.10 -1.02 114.58 120.43 1xl0 h GLU 473 Ca 0.19 -0.13 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 1xl0 h GLU 473 Cb 0.24 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.51 1xl0 h GLU 473 CO -0.01 0.67 -0.66 1.25 -1.00 0.00 0.00 179.01 179.27 1xl0 h LEU 474 N 0.18 0.53 -6.21 1.33 5.85 -0.97 -3.41 115.31 112.62 1xl0 h LEU 474 Ca 0.01 -0.80 -0.58 0.00 0.84 0.00 0.00 57.88 57.35 1xl0 h LEU 474 Cb 0.94 -0.16 -0.39 0.00 0.37 0.00 0.00 40.66 41.41 1xl0 h LEU 474 CO 0.08 1.26 -0.99 -0.62 -0.34 0.00 0.00 178.44 177.83 1xl0 n GLU 475 N -4.19 0.74 0.01 1.25 1.02 0.03 -4.98 120.64 114.53 1xl0 n GLU 475 Ca -0.11 -3.40 0.12 0.00 -0.02 0.00 0.00 57.16 53.75 1xl0 n GLU 475 Cb 0.71 -1.52 0.57 0.00 -0.02 0.00 0.00 31.44 31.17 1xl0 n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1xl0 h PRO 476 N 4.67 0.23 0.00 3.49 0.13 -1.39 -2.47 132.00 136.67 1xl0 h PRO 476 Ca 0.16 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.26 1xl0 h PRO 476 Cb 0.86 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 1xl0 h PRO 476 CO 0.48 0.16 -0.08 1.12 -0.23 0.00 0.00 178.00 179.44 1xl0 h HIS 477 N 0.24 0.00 -0.01 1.56 2.07 -1.94 -2.90 115.15 114.17 1xl0 h HIS 477 Ca 0.20 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.61 1xl0 h HIS 477 Cb 0.49 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.46 1xl0 h HIS 477 CO -0.00 0.08 -0.54 0.87 -3.07 0.00 0.00 177.93 175.27 1xl0 h LYS 478 N 0.00 0.03 -6.20 5.12 1.57 -1.68 -3.45 116.57 111.96 1xl0 h LYS 478 Ca -0.00 -0.02 -0.56 0.00 -1.87 0.00 0.00 60.65 58.20 1xl0 h LYS 478 Cb 0.22 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 1xl0 h LYS 478 CO 0.01 0.56 0.47 -0.06 -0.57 0.00 0.00 179.45 179.86 1xl0 s PHE 479 N -3.80 3.52 0.29 -1.35 0.08 -1.10 -0.57 117.98 115.05 1xl0 s PHE 479 Ca -0.02 1.51 0.03 0.00 0.12 0.00 0.00 56.93 58.57 1xl0 s PHE 479 Cb 0.13 -3.11 -0.04 0.00 -0.57 0.00 0.00 43.02 39.43 1xl0 s PHE 479 CO 0.76 -0.17 0.17 -0.65 -0.10 0.00 0.00 175.22 175.23 1xl0 s GLN 480 N 1.80 1.55 0.00 0.44 -0.21 0.27 -4.96 119.66 118.56 1xl0 s GLN 480 Ca 0.46 -1.88 0.05 0.00 0.02 0.00 0.00 55.36 54.02 1xl0 s GLN 480 Cb -0.18 0.04 -0.02 0.00 1.00 0.00 0.00 33.01 33.85 1xl0 s GLN 480 CO 0.18 -0.47 -0.16 1.21 -2.12 0.00 0.00 175.29 173.93 1xl0 s ASN 481 N -3.33 1.90 -0.35 5.90 3.84 -1.26 -2.17 114.94 119.46 1xl0 s ASN 481 Ca 0.37 -0.34 0.00 0.00 0.21 0.00 0.00 52.86 53.10 1xl0 s ASN 481 Cb 0.05 -0.19 0.14 0.00 -0.55 0.00 0.00 41.25 40.70 1xl0 s ASN 481 CO 0.18 0.16 0.25 -0.54 -2.79 0.00 0.00 177.10 174.37 1xl0 s LYS 482 N -0.59 0.53 0.28 0.43 -0.14 -0.92 -4.92 119.74 114.40 1xl0 s LYS 482 Ca 0.06 -1.08 -0.30 0.00 -1.36 0.00 0.00 55.97 53.29 1xl0 s LYS 482 Cb -0.07 -1.10 -0.11 0.00 -1.68 0.00 0.00 37.83 34.88 1xl0 s LYS 482 CO -0.00 -1.18 1.58 0.99 -0.76 0.00 0.00 175.35 175.98 1xl0 s THR 483 N 1.32 2.16 1.15 2.17 2.01 -1.26 -4.25 115.64 118.94 1xl0 s THR 483 Ca 0.17 0.13 -0.12 0.00 0.31 0.00 0.00 61.69 62.17 1xl0 s THR 483 Cb -0.20 -3.08 0.27 0.00 0.01 0.00 0.00 72.50 69.50 1xl0 s THR 483 CO -0.05 0.02 1.04 0.20 -0.69 0.00 0.00 174.62 175.14 1xl0 s ASN 484 N 0.54 1.10 0.32 3.53 0.02 -0.21 -4.64 114.94 115.59 1xl0 s ASN 484 Ca 0.64 1.59 -0.17 0.00 -1.02 0.00 0.00 52.86 53.90 1xl0 s ASN 484 Cb -0.47 -2.34 0.03 0.00 0.02 0.00 0.00 41.25 38.49 1xl0 s ASN 484 CO 0.46 -4.14 0.70 -0.83 0.02 0.00 0.00 177.10 173.32 1xl0 s GLY 485 N -2.51 0.23 0.10 0.66 0.00 -1.26 -4.80 107.32 99.74 1xl0 s GLY 485 Ca 0.68 -0.60 0.05 0.00 0.00 0.00 0.00 44.72 44.86 1xl0 s GLY 485 CO 0.64 -0.28 -0.13 -0.26 0.00 0.00 0.00 173.10 173.07 1xl0 s ILE 486 N -3.30 1.17 -0.05 0.90 -4.36 0.01 -4.47 121.20 111.09 1xl0 s ILE 486 Ca 0.15 -1.55 -0.30 0.00 -0.26 0.00 0.00 60.65 58.69 1xl0 s ILE 486 Cb -0.05 -1.33 -0.03 0.00 1.25 0.00 0.00 42.46 42.31 1xl0 s ILE 486 CO 0.10 -0.38 1.06 0.28 0.24 0.00 0.00 174.94 176.24 1xl0 s THR 487 N -1.88 4.61 -1.14 8.37 -1.32 -1.26 -1.08 115.64 121.93 1xl0 s THR 487 Ca 0.04 1.89 0.17 0.00 -1.21 0.00 0.00 61.69 62.57 1xl0 s THR 487 Cb -0.06 -4.21 0.19 0.00 -1.51 0.00 0.00 72.50 66.90 1xl0 s THR 487 CO 0.02 0.05 1.52 -0.81 -2.21 0.00 0.00 174.62 173.19 1xl0 n PRO 488 N 4.68 0.08 0.10 7.08 -0.04 -1.26 -1.73 135.00 143.90 1xl0 n PRO 488 Ca 0.09 0.19 -0.05 0.00 -0.04 0.00 0.00 63.50 63.69 1xl0 n PRO 488 Cb 0.48 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 1xl0 n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xl0 h ARG 489 N 0.00 -0.29 -0.57 0.54 -0.00 -1.91 -2.60 114.38 109.56 1xl0 h ARG 489 Ca 0.00 0.02 -0.10 0.00 -0.50 0.00 0.00 59.98 59.40 1xl0 h ARG 489 Cb 0.25 0.06 -0.02 0.00 0.00 0.00 0.00 29.97 30.26 1xl0 h ARG 489 CO 0.00 -0.19 -0.03 -0.09 0.00 0.00 0.00 179.97 179.66 1xl0 h ARG 490 N -0.70 1.02 -0.50 0.04 2.43 -1.97 0.36 114.38 115.07 1xl0 h ARG 490 Ca -0.03 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1xl0 h ARG 490 Cb 0.23 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1xl0 h ARG 490 CO 0.05 1.03 0.00 0.91 -1.51 0.00 0.00 179.97 180.45 1xl0 n TRP 491 N -4.20 0.54 0.00 2.20 7.02 -0.70 -2.80 117.44 119.49 1xl0 n TRP 491 Ca 0.02 -0.22 0.00 0.00 -1.02 0.00 0.00 57.50 56.28 1xl0 n TRP 491 Cb 0.36 -0.10 0.00 0.00 -2.42 0.00 0.00 31.31 29.15 1xl0 n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 1xl0 n LEU 492 N 0.30 0.00 -0.11 -0.99 7.94 -1.01 -4.76 117.00 118.37 1xl0 n LEU 492 Ca 0.10 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.94 1xl0 n LEU 492 Cb 0.38 0.20 0.02 0.00 0.53 0.00 0.00 43.42 44.55 1xl0 n LEU 492 CO 0.09 -0.45 0.95 0.58 -1.11 0.00 0.00 177.39 177.45 1xl0 h VAL 493 N 0.00 0.91 0.02 1.96 2.07 -1.20 0.32 116.25 120.34 1xl0 h VAL 493 Ca 0.00 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1xl0 h VAL 493 Cb 0.00 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1xl0 h VAL 493 CO 0.00 0.05 -0.01 0.25 0.02 0.00 0.00 177.57 177.88 1xl0 h LEU 494 N 0.29 -0.02 0.00 2.57 6.46 -1.06 -3.15 115.31 120.40 1xl0 h LEU 494 Ca 0.16 -0.55 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 1xl0 h LEU 494 Cb 0.13 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.06 1xl0 h LEU 494 CO -0.16 0.55 -0.57 0.00 -0.62 0.00 0.00 178.44 177.64 1xl0 n ASN 496 N -2.66 0.92 -0.23 0.00 2.85 0.11 -4.86 115.26 111.40 1xl0 n ASN 496 Ca 0.02 -2.96 0.05 0.00 -0.11 0.00 0.00 54.58 51.58 1xl0 n ASN 496 Cb 0.51 -0.62 0.30 0.00 1.24 0.00 0.00 39.78 41.21 1xl0 n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1xl0 h PRO 497 N 3.37 0.86 -0.62 1.20 0.13 -1.62 -1.89 132.00 133.43 1xl0 h PRO 497 Ca 0.10 -0.05 0.06 0.00 -0.87 0.00 0.00 66.00 65.24 1xl0 h PRO 497 Cb 0.90 -0.19 -0.06 0.00 0.13 0.00 0.00 31.00 31.78 1xl0 h PRO 497 CO 0.52 0.57 0.31 0.78 -0.23 0.00 0.00 178.00 179.95 1xl0 h GLY 498 N 0.89 0.89 0.95 1.56 0.00 -1.91 0.11 103.07 105.56 1xl0 h GLY 498 Ca 0.33 -0.21 -0.13 0.00 0.00 0.00 0.00 47.33 47.33 1xl0 h GLY 498 CO -0.11 0.11 -0.35 -2.00 0.00 0.00 0.00 176.54 174.18 1xl0 h LEU 499 N 0.58 0.72 -1.33 3.11 5.85 -1.79 -2.65 115.31 119.80 1xl0 h LEU 499 Ca 0.28 -0.52 0.04 0.00 0.84 0.00 0.00 57.88 58.53 1xl0 h LEU 499 Cb 0.22 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1xl0 h LEU 499 CO -0.20 1.09 0.48 0.00 -0.34 0.00 0.00 178.44 179.48 1xl0 h ALA 500 N 0.64 1.61 0.12 1.25 0.00 -0.90 -2.08 119.26 119.89 1xl0 h ALA 500 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xl0 h ALA 500 Cb 0.94 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1xl0 h ALA 500 CO 0.08 0.30 -0.06 1.49 0.00 0.00 0.00 179.25 181.07 1xl0 h GLU 501 N 0.85 -0.15 0.00 0.00 4.57 -0.67 -0.72 114.58 118.47 1xl0 h GLU 501 Ca 0.30 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.47 1xl0 h GLU 501 Cb 0.12 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1xl0 h GLU 501 CO -0.09 0.23 -0.11 -0.84 -1.18 0.00 0.00 179.01 177.01 1xl0 h ILE 502 N -0.56 0.70 -0.02 2.32 3.07 -1.32 0.48 117.51 122.18 1xl0 h ILE 502 Ca -0.02 -0.45 -0.07 0.00 1.55 0.00 0.00 64.86 65.87 1xl0 h ILE 502 Cb 0.45 1.27 0.00 0.00 -0.27 0.00 0.00 36.82 38.28 1xl0 h ILE 502 CO 0.03 0.11 -0.27 0.40 -1.05 0.00 0.00 178.15 177.37 1xl0 h ILE 503 N 0.00 1.51 -0.72 0.16 2.04 -1.30 -3.23 117.51 115.96 1xl0 h ILE 503 Ca -0.00 -1.86 0.03 0.00 1.00 0.00 0.00 64.86 64.02 1xl0 h ILE 503 Cb 0.27 2.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.94 1xl0 h ILE 503 CO 0.01 0.52 0.47 0.00 0.00 0.00 0.00 178.15 179.15 1xl0 h ALA 504 N 0.31 1.56 -0.74 1.87 0.00 -0.47 -0.86 119.26 120.93 1xl0 h ALA 504 Ca -0.03 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.96 1xl0 h ALA 504 Cb 0.98 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1xl0 h ALA 504 CO 0.05 0.37 0.49 0.93 0.00 0.00 0.00 179.25 181.10 1xl0 h GLU 505 N 0.89 0.52 0.08 0.00 5.08 -0.95 0.33 114.58 120.54 1xl0 h GLU 505 Ca 0.28 -0.03 -0.36 0.00 -1.00 0.00 0.00 59.36 58.25 1xl0 h GLU 505 Cb 0.02 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1xl0 h GLU 505 CO -0.08 0.35 -2.07 0.54 -1.00 0.00 0.00 179.01 176.75 1xl0 n ARG 506 N -4.49 0.71 -0.02 2.33 5.12 -0.61 -4.67 116.66 115.02 1xl0 n ARG 506 Ca 0.13 0.26 0.01 0.00 -1.93 0.00 0.00 57.85 56.33 1xl0 n ARG 506 Cb 0.42 -1.66 0.02 0.00 -1.16 0.00 0.00 32.46 30.09 1xl0 n ARG 506 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1xl0 n ILE 507 N -3.55 0.73 -1.23 0.55 -5.35 -0.43 -5.13 119.36 104.95 1xl0 n ILE 507 Ca -0.36 -0.87 0.00 0.00 -0.27 0.00 0.00 62.75 61.25 1xl0 n ILE 507 Cb 0.99 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 39.53 1xl0 n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xl0 n GLY 508 N -0.23 -2.42 0.10 3.28 0.00 0.12 -4.65 105.19 101.38 1xl0 n GLY 508 Ca 0.02 -1.79 0.09 0.00 0.00 0.00 0.00 46.02 44.34 1xl0 n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xl0 n GLU 509 N -0.17 1.01 -0.06 1.61 1.02 -1.26 -4.02 120.64 118.76 1xl0 n GLU 509 Ca 0.00 -0.22 0.24 0.00 -0.02 0.00 0.00 57.16 57.17 1xl0 n GLU 509 Cb 0.00 -1.38 0.72 0.00 -0.02 0.00 0.00 31.44 30.76 1xl0 n GLU 509 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1xl0 h GLU 510 N 0.51 0.00 0.00 3.49 4.39 -1.96 -2.07 114.58 118.94 1xl0 h GLU 510 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1xl0 h GLU 510 Cb 0.49 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1xl0 h GLU 510 CO 0.00 0.00 -0.10 0.10 -1.16 0.00 0.00 179.01 177.85 1xl0 h TYR 511 N 0.00 0.00 -0.27 4.33 -0.00 -1.80 -2.76 116.97 116.48 1xl0 h TYR 511 Ca 0.32 0.00 0.08 0.00 -0.00 0.00 0.00 58.73 59.13 1xl0 h TYR 511 Cb 1.39 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 38.11 1xl0 h TYR 511 CO 0.00 0.10 0.22 0.82 -0.00 0.00 0.00 178.16 179.31 1xl0 h ILE 512 N 0.00 0.68 0.00 -0.90 2.04 -1.73 -0.43 117.51 117.17 1xl0 h ILE 512 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1xl0 h ILE 512 Cb 0.27 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1xl0 h ILE 512 CO 0.01 0.00 -0.02 -1.54 0.00 0.00 0.00 178.15 176.61 1xl0 n SER 513 N -4.17 2.05 -2.83 1.72 3.41 -1.08 -4.66 113.62 108.07 1xl0 n SER 513 Ca 0.03 -2.51 -0.10 0.00 -0.26 0.00 0.00 58.87 56.04 1xl0 n SER 513 Cb 0.37 -0.22 0.02 0.00 -0.26 0.00 0.00 64.21 64.13 1xl0 n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1xl0 n ASP 514 N -0.93 -2.55 0.31 4.04 4.64 -0.31 -5.03 116.55 116.72 1xl0 n ASP 514 Ca 0.08 -3.14 0.19 0.00 -1.38 0.00 0.00 54.79 50.54 1xl0 n ASP 514 Cb 0.46 1.45 1.05 0.00 -1.04 0.00 0.00 41.12 43.04 1xl0 n ASP 514 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 1xl0 h LEU 515 N 4.22 0.00 -2.47 -2.67 5.85 -1.47 -2.14 115.31 116.63 1xl0 h LEU 515 Ca -0.07 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.66 1xl0 h LEU 515 Cb 1.02 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 1xl0 h LEU 515 CO 0.29 0.00 0.08 0.44 -0.34 0.00 0.00 178.44 178.92 1xl0 h ASP 516 N 0.00 0.00 0.29 1.25 3.32 -1.85 -0.78 116.42 118.66 1xl0 h ASP 516 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1xl0 h ASP 516 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1xl0 h ASP 516 CO -0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1xl0 n GLN 517 N -3.62 0.12 0.32 3.56 6.02 -0.80 -2.17 117.38 120.80 1xl0 n GLN 517 Ca -0.01 0.50 0.21 0.00 -0.01 0.00 0.00 57.00 57.69 1xl0 n GLN 517 Cb 0.17 -1.80 1.07 0.00 1.02 0.00 0.00 30.24 30.70 1xl0 n GLN 517 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1xl0 h LEU 518 N 0.00 0.00 -2.43 1.08 3.38 -1.37 -1.55 115.31 114.42 1xl0 h LEU 518 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xl0 h LEU 518 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1xl0 h LEU 518 CO 0.00 0.00 0.03 0.03 0.09 0.00 0.00 178.44 178.59 1xl0 h ARG 519 N 0.00 0.00 0.00 1.13 3.08 -0.89 -0.11 114.38 117.59 1xl0 h ARG 519 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xl0 h ARG 519 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1xl0 h ARG 519 CO 0.00 0.00 0.00 0.87 -1.07 0.00 0.00 179.97 179.77 1xl0 h LYS 520 N 0.00 0.00 0.00 0.04 1.57 -1.53 -0.69 116.57 115.96 1xl0 h LYS 520 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1xl0 h LYS 520 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1xl0 h LYS 520 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 1xl0 n LEU 521 N -3.02 0.58 0.22 2.94 4.77 -0.06 -2.68 117.00 119.75 1xl0 n LEU 521 Ca -0.02 0.64 0.07 0.00 -0.03 0.00 0.00 56.01 56.66 1xl0 n LEU 521 Cb 0.10 -0.55 0.58 0.00 -2.33 0.00 0.00 43.42 41.22 1xl0 n LEU 521 CO 0.20 -0.49 1.03 -0.07 -1.33 0.00 0.00 177.39 176.74 1xl0 h LEU 522 N 0.00 0.06 0.00 2.23 4.07 -1.30 -0.71 115.31 119.66 1xl0 h LEU 522 Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1xl0 h LEU 522 Cb 0.37 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1xl0 h LEU 522 CO 0.00 0.09 0.00 -1.54 -1.08 0.00 0.00 178.44 175.91 1xl0 n SER 523 N -4.47 0.00 -0.10 -0.43 3.41 -1.09 -2.61 113.62 108.33 1xl0 n SER 523 Ca -0.02 -1.40 0.01 0.00 -0.26 0.00 0.00 58.87 57.19 1xl0 n SER 523 Cb 0.13 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.10 1xl0 n SER 523 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1xl0 n TYR 524 N -0.72 0.04 0.31 7.33 4.01 -0.28 -4.68 117.16 123.17 1xl0 n TYR 524 Ca 0.10 -0.22 0.18 0.00 -0.16 0.00 0.00 57.90 57.80 1xl0 n TYR 524 Cb 0.04 -0.02 1.01 0.00 -0.31 0.00 0.00 39.34 40.07 1xl0 n TYR 524 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1xl0 h VAL 525 N 0.39 0.35 -0.18 -0.72 3.04 -1.50 -0.33 116.25 117.30 1xl0 h VAL 525 Ca 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 1xl0 h VAL 525 Cb 0.28 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 1xl0 h VAL 525 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.03 1xl0 n ASP 526 N -3.59 2.53 -4.61 3.17 10.43 -1.26 -4.86 116.55 118.35 1xl0 n ASP 526 Ca -0.03 -1.74 -0.43 0.00 2.57 0.00 0.00 54.79 55.16 1xl0 n ASP 526 Cb 0.08 -0.11 -0.02 0.00 1.84 0.00 0.00 41.12 42.91 1xl0 n ASP 526 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1xl0 s ASP 527 N -1.07 6.62 0.26 -2.24 3.68 -0.14 -4.91 116.67 118.87 1xl0 s ASP 527 Ca 0.21 0.73 -0.03 0.00 2.13 0.00 0.00 52.55 55.59 1xl0 s ASP 527 Cb 0.13 -2.55 0.39 0.00 -1.45 0.00 0.00 42.92 39.44 1xl0 s ASP 527 CO 0.18 -1.22 1.88 -0.08 0.13 0.00 0.00 175.17 176.06 1xl0 h GLU 528 N 9.39 1.11 -0.18 4.34 4.57 -1.92 -0.48 114.58 131.42 1xl0 h GLU 528 Ca -0.24 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 57.86 1xl0 h GLU 528 Cb 1.07 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 29.41 1xl0 h GLU 528 CO 1.09 0.74 0.06 0.00 -1.18 0.00 0.00 179.01 179.72 1xl0 h ALA 529 N 1.44 0.23 -0.25 2.92 0.00 -1.95 -1.85 119.26 119.81 1xl0 h ALA 529 Ca 0.42 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1xl0 h ALA 529 Cb 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1xl0 h ALA 529 CO -0.17 -0.16 0.11 0.35 0.00 0.00 0.00 179.25 179.38 1xl0 h PHE 530 N 0.12 0.38 -0.65 0.00 -0.00 -1.78 -0.92 116.94 114.09 1xl0 h PHE 530 Ca 0.06 -0.03 0.11 0.00 -0.00 0.00 0.00 57.97 58.11 1xl0 h PHE 530 Cb 0.21 -0.12 -0.08 0.00 -0.00 0.00 0.00 35.95 35.96 1xl0 h PHE 530 CO -0.00 0.39 0.23 0.82 -0.00 0.00 0.00 178.31 179.75 1xl0 h ILE 531 N 0.26 0.71 -0.62 1.41 2.04 -1.03 0.95 117.51 121.24 1xl0 h ILE 531 Ca 0.09 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 1xl0 h ILE 531 Cb 0.17 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 1xl0 h ILE 531 CO -0.01 0.07 0.21 -0.09 0.00 0.00 0.00 178.15 178.33 1xl0 h ARG 532 N 0.39 0.95 -0.37 2.37 2.43 -0.98 -2.35 114.38 116.82 1xl0 h ARG 532 Ca 0.34 -0.20 -0.08 0.00 -0.81 0.00 0.00 59.98 59.23 1xl0 h ARG 532 Cb 0.47 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1xl0 h ARG 532 CO -0.35 0.84 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.43 1xl0 h ASP 533 N 0.88 0.70 -0.48 -3.80 3.32 -0.06 -0.44 116.42 116.55 1xl0 h ASP 533 Ca 0.20 -0.35 0.03 0.00 0.02 0.00 0.00 57.03 56.93 1xl0 h ASP 533 Cb 0.27 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 1xl0 h ASP 533 CO -0.01 0.89 0.26 0.58 -1.72 0.00 0.00 179.24 179.24 1xl0 h VAL 534 N 0.50 1.00 -0.18 -1.35 2.07 -0.78 -0.36 116.25 117.15 1xl0 h VAL 534 Ca 0.10 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 1xl0 h VAL 534 Cb 0.57 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1xl0 h VAL 534 CO 0.03 0.09 -0.28 0.00 0.02 0.00 0.00 177.57 177.44 1xl0 h ALA 535 N 1.24 1.18 -0.30 1.67 0.00 -1.31 -2.58 119.26 119.17 1xl0 h ALA 535 Ca 0.20 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1xl0 h ALA 535 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1xl0 h ALA 535 CO -0.12 0.53 -0.16 -0.22 0.00 0.00 0.00 179.25 179.28 1xl0 h LYS 536 N 0.31 0.63 -0.68 0.00 3.64 -0.36 -1.89 116.57 118.22 1xl0 h LYS 536 Ca 0.05 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1xl0 h LYS 536 Cb 0.66 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 1xl0 h LYS 536 CO 0.05 0.87 0.42 0.28 -2.27 0.00 0.00 179.45 178.80 1xl0 h VAL 537 N 0.38 1.19 -0.31 2.00 2.07 -0.94 -0.22 116.25 120.43 1xl0 h VAL 537 Ca 0.06 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1xl0 h VAL 537 Cb 0.69 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1xl0 h VAL 537 CO 0.05 0.20 0.14 0.50 0.02 0.00 0.00 177.57 178.47 1xl0 h LYS 538 N 0.93 0.45 -0.74 1.57 1.63 -1.40 -0.73 116.57 118.28 1xl0 h LYS 538 Ca 0.25 -0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.99 1xl0 h LYS 538 Cb -0.05 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.47 1xl0 h LYS 538 CO -0.05 0.43 0.48 0.37 -3.45 0.00 0.00 179.45 177.24 1xl0 h GLN 539 N 0.36 0.95 -0.60 1.90 5.75 -0.96 -0.26 115.11 122.24 1xl0 h GLN 539 Ca 0.10 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1xl0 h GLN 539 Cb 0.14 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 1xl0 h GLN 539 CO -0.01 0.63 0.29 0.93 -2.65 0.00 0.00 178.83 178.02 1xl0 h GLU 540 N 0.98 0.87 -0.81 1.69 5.08 -0.76 -0.44 114.58 121.20 1xl0 h GLU 540 Ca 0.28 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1xl0 h GLU 540 Cb -0.08 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 28.97 1xl0 h GLU 540 CO -0.07 0.70 0.38 -0.91 -1.00 0.00 0.00 179.01 178.12 1xl0 h ASN 541 N 0.83 1.06 -0.52 1.42 2.35 -0.46 -0.61 115.58 119.63 1xl0 h ASN 541 Ca 0.21 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.75 1xl0 h ASN 541 Cb 0.12 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1xl0 h ASN 541 CO -0.03 0.90 0.06 0.11 -1.65 0.00 0.00 177.43 176.82 1xl0 h LYS 542 N 1.14 0.88 -0.40 0.81 1.57 -0.69 -0.44 116.57 119.45 1xl0 h LYS 542 Ca 0.28 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1xl0 h LYS 542 Cb 0.12 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1xl0 h LYS 542 CO -0.03 0.88 0.20 -0.07 -0.57 0.00 0.00 179.45 179.86 1xl0 h LEU 543 N 0.76 0.52 -0.80 2.94 3.38 -0.77 0.30 115.31 121.64 1xl0 h LEU 543 Ca 0.16 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1xl0 h LEU 543 Cb 0.44 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1xl0 h LEU 543 CO 0.02 0.49 0.38 0.50 0.09 0.00 0.00 178.44 179.91 1xl0 h LYS 544 N 0.51 1.16 -0.22 1.13 3.64 -0.93 -1.13 116.57 120.74 1xl0 h LYS 544 Ca 0.14 -0.18 -0.18 0.00 -1.27 0.00 0.00 60.65 59.16 1xl0 h LYS 544 Cb 0.10 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1xl0 h LYS 544 CO -0.02 0.91 -0.56 0.35 -2.27 0.00 0.00 179.45 177.85 1xl0 h PHE 545 N 1.14 1.00 -0.21 1.91 3.57 -0.74 -1.67 116.94 121.94 1xl0 h PHE 545 Ca 0.27 -0.38 0.01 0.00 3.53 0.00 0.00 57.97 61.40 1xl0 h PHE 545 Cb 0.13 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1xl0 h PHE 545 CO 0.01 1.20 0.14 0.00 -2.23 0.00 0.00 178.31 177.43 1xl0 h ALA 546 N 0.61 1.88 -0.06 2.41 0.00 -0.16 -0.75 119.26 123.20 1xl0 h ALA 546 Ca -0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1xl0 h ALA 546 Cb 1.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1xl0 h ALA 546 CO 0.12 0.10 -0.31 0.00 0.00 0.00 0.00 179.25 179.16 1xl0 h ALA 547 N 1.88 0.12 -0.94 0.00 0.00 -1.03 -3.20 119.26 116.09 1xl0 h ALA 547 Ca 0.08 -0.44 0.09 0.00 0.00 0.00 0.00 54.91 54.64 1xl0 h ALA 547 Cb 0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1xl0 h ALA 547 CO -0.02 0.17 0.60 -0.92 0.00 0.00 0.00 179.25 179.08 1xl0 h TYR 548 N -0.19 1.05 0.00 0.00 5.03 -0.43 -0.63 116.97 121.80 1xl0 h TYR 548 Ca -0.02 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.30 1xl0 h TYR 548 Cb 0.96 -0.34 -0.00 0.00 1.55 0.00 0.00 36.73 38.90 1xl0 h TYR 548 CO 0.13 0.48 -0.07 -0.07 -1.32 0.00 0.00 178.16 177.31 1xl0 h LEU 549 N 0.97 0.00 0.00 2.82 3.38 -1.17 -2.03 115.31 119.29 1xl0 h LEU 549 Ca 0.43 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.13 1xl0 h LEU 549 Cb 0.36 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1xl0 h LEU 549 CO -0.19 0.07 -1.60 -0.33 0.09 0.00 0.00 178.44 176.48 1xl0 h GLU 550 N 0.00 0.00 0.13 1.13 5.08 -1.25 -0.82 114.58 118.85 1xl0 h GLU 550 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1xl0 h GLU 550 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1xl0 h GLU 550 CO 0.01 0.55 -0.06 0.00 -1.00 0.00 0.00 179.01 178.51 1xl0 h ARG 551 N 0.00 -0.16 0.00 2.33 3.08 -0.57 -2.45 114.38 116.61 1xl0 h ARG 551 Ca -0.24 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1xl0 h ARG 551 Cb 1.97 0.04 0.00 0.00 0.08 0.00 0.00 29.97 32.05 1xl0 h ARG 551 CO 0.08 -0.11 -0.37 0.93 -1.07 0.00 0.00 179.97 179.44 1xl0 h GLU 552 N -0.20 0.00 0.00 0.04 3.07 -1.61 -3.39 114.58 112.49 1xl0 h GLU 552 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1xl0 h GLU 552 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1xl0 h GLU 552 CO 0.03 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.30 1xl0 n TYR 553 N -2.35 0.00 -3.26 4.33 4.01 -1.11 -5.09 117.16 113.69 1xl0 n TYR 553 Ca 0.04 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.50 1xl0 n TYR 553 Cb 0.46 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.52 1xl0 n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1xl0 n LYS 554 N -0.32 -2.11 -3.16 -0.72 4.76 -0.33 -4.91 118.16 111.38 1xl0 n LYS 554 Ca 0.00 1.70 0.04 0.00 -2.87 0.00 0.00 58.31 57.18 1xl0 n LYS 554 Cb 0.05 -3.43 -0.01 0.00 -1.84 0.00 0.00 35.03 29.80 1xl0 n LYS 554 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1xl0 s VAL 555 N -1.90 -0.98 0.21 -0.18 -7.23 -1.15 -4.95 120.40 104.23 1xl0 s VAL 555 Ca 0.33 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.21 1xl0 s VAL 555 Cb -0.05 -1.00 -0.09 0.00 0.56 0.00 0.00 36.38 35.80 1xl0 s VAL 555 CO 0.84 0.00 1.25 -1.00 -0.31 0.00 0.00 175.10 175.88 1xl0 s HIS 556 N 2.86 3.32 0.05 2.82 0.09 -1.26 -4.26 115.29 118.92 1xl0 s HIS 556 Ca 0.20 1.34 -0.03 0.00 -0.00 0.00 0.00 55.06 56.58 1xl0 s HIS 556 Cb -0.15 -3.52 -0.03 0.00 -0.00 0.00 0.00 32.58 28.88 1xl0 s HIS 556 CO -0.21 -1.54 0.02 0.96 -0.00 0.00 0.00 174.74 173.98 1xl0 s ILE 557 N -0.13 0.18 -0.45 0.60 -4.36 -1.26 -5.13 121.20 110.65 1xl0 s ILE 557 Ca 0.54 -1.51 -0.19 0.00 -0.26 0.00 0.00 60.65 59.23 1xl0 s ILE 557 Cb -0.35 -1.26 0.03 0.00 1.25 0.00 0.00 42.46 42.13 1xl0 s ILE 557 CO 0.39 -0.83 0.57 0.21 0.24 0.00 0.00 174.94 175.51 1xl0 s ASN 558 N -2.63 6.26 0.22 4.36 2.47 -1.26 -4.94 114.94 119.42 1xl0 s ASN 558 Ca 0.02 -0.58 0.15 0.00 0.42 0.00 0.00 52.86 52.87 1xl0 s ASN 558 Cb 0.04 -2.28 0.81 0.00 -1.45 0.00 0.00 41.25 38.37 1xl0 s ASN 558 CO -0.08 -0.73 1.46 -2.65 -3.72 0.00 0.00 177.10 171.38 1xl0 n PRO 559 N 6.01 0.10 0.01 0.43 -0.02 -1.26 -1.64 135.00 138.62 1xl0 n PRO 559 Ca -0.05 0.58 0.12 0.00 -2.02 0.00 0.00 63.50 62.14 1xl0 n PRO 559 Cb 0.47 -1.81 0.23 0.00 -0.02 0.00 0.00 33.50 32.37 1xl0 n PRO 559 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1xl0 n ASN 560 N -2.02 0.52 -4.89 2.55 5.03 -1.26 -4.88 115.26 110.32 1xl0 n ASN 560 Ca -0.01 -0.18 -0.30 0.00 0.87 0.00 0.00 54.58 54.96 1xl0 n ASN 560 Cb 0.03 0.25 0.05 0.00 -1.02 0.00 0.00 39.78 39.10 1xl0 n ASN 560 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1xl0 s SER 561 N -3.22 5.29 -0.05 6.41 1.04 -0.65 -4.94 113.70 117.57 1xl0 s SER 561 Ca 0.10 1.07 -0.30 0.00 0.48 0.00 0.00 55.95 57.30 1xl0 s SER 561 Cb 0.17 -1.81 -0.03 0.00 0.10 0.00 0.00 66.02 64.45 1xl0 s SER 561 CO 0.70 -1.43 1.13 -0.22 0.98 0.00 0.00 173.24 174.40 1xl0 s LEU 562 N -5.39 4.28 -0.61 2.42 0.20 0.38 -4.81 118.68 115.15 1xl0 s LEU 562 Ca 0.59 1.74 -0.23 0.00 0.69 0.00 0.00 54.13 56.92 1xl0 s LEU 562 Cb -0.11 -3.56 0.06 0.00 -0.43 0.00 0.00 46.19 42.15 1xl0 s LEU 562 CO 0.51 -0.51 0.93 -0.36 -0.29 0.00 0.00 176.35 176.64 1xl0 s PHE 563 N 1.96 2.74 -0.46 5.38 2.99 -1.26 -0.89 117.98 128.43 1xl0 s PHE 563 Ca 0.54 -0.34 -0.16 0.00 0.00 0.00 0.00 56.93 56.97 1xl0 s PHE 563 Cb -0.23 -4.16 0.06 0.00 0.00 0.00 0.00 43.02 38.69 1xl0 s PHE 563 CO 0.22 -1.50 0.40 0.34 -0.00 0.00 0.00 175.22 174.68 1xl0 s ASP 564 N 3.29 6.15 -0.01 1.36 3.68 -0.43 -1.21 116.67 129.50 1xl0 s ASP 564 Ca 0.25 -1.19 0.05 0.00 2.13 0.00 0.00 52.55 53.80 1xl0 s ASP 564 Cb -0.15 -2.19 -0.01 0.00 -1.45 0.00 0.00 42.92 39.11 1xl0 s ASP 564 CO 0.14 -0.62 -0.17 0.68 0.13 0.00 0.00 175.17 175.32 1xl0 s VAL 565 N 1.74 1.36 -0.30 1.11 -7.23 -0.66 0.57 120.40 116.99 1xl0 s VAL 565 Ca 0.05 -0.78 -0.01 0.00 -1.81 0.00 0.00 61.98 59.44 1xl0 s VAL 565 Cb -0.23 -1.14 0.09 0.00 0.56 0.00 0.00 36.38 35.67 1xl0 s VAL 565 CO 0.08 0.35 0.09 -1.58 -0.31 0.00 0.00 175.10 173.73 1xl0 s GLN 566 N -0.49 0.75 -0.12 4.82 0.74 0.62 -2.15 119.66 123.82 1xl0 s GLN 566 Ca 0.06 -1.02 0.03 0.00 0.05 0.00 0.00 55.36 54.48 1xl0 s GLN 566 Cb -0.07 -2.03 0.01 0.00 1.10 0.00 0.00 33.01 32.02 1xl0 s GLN 566 CO -0.00 -0.94 -0.20 0.14 -0.55 0.00 0.00 175.29 173.73 1xl0 s VAL 567 N 1.62 1.89 0.00 1.34 -7.23 -1.26 -1.64 120.40 115.13 1xl0 s VAL 567 Ca 0.08 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.36 1xl0 s VAL 567 Cb -0.17 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 35.09 1xl0 s VAL 567 CO -0.23 0.52 0.00 2.29 -0.31 0.00 0.00 175.10 177.37 1xl0 n LYS 568 N 4.01 0.00 -1.69 4.82 2.85 -0.86 -4.99 118.16 122.31 1xl0 n LYS 568 Ca -0.20 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.68 1xl0 n LYS 568 Cb 0.52 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.94 1xl0 n LYS 568 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1xl0 n ARG 569 N -0.31 1.40 -2.52 -1.58 5.12 -1.26 -3.98 116.66 113.52 1xl0 n ARG 569 Ca 0.00 0.52 -0.43 0.00 -1.93 0.00 0.00 57.85 56.01 1xl0 n ARG 569 Cb 0.00 -2.41 -0.02 0.00 -1.16 0.00 0.00 32.46 28.87 1xl0 n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1xl0 s ILE 570 N -1.35 4.42 -0.09 0.55 -1.09 -0.49 -4.89 121.20 118.24 1xl0 s ILE 570 Ca 0.73 1.72 -0.25 0.00 -2.23 0.00 0.00 60.65 60.62 1xl0 s ILE 570 Cb -0.43 -4.11 0.06 0.00 -1.58 0.00 0.00 42.46 36.40 1xl0 s ILE 570 CO 0.49 -0.07 0.59 -2.28 -1.23 0.00 0.00 174.94 172.43 1xl0 s HIS 571 N 2.71 -0.57 0.34 3.97 2.46 -1.26 -4.70 115.29 118.23 1xl0 s HIS 571 Ca 0.52 1.10 0.01 0.00 0.47 0.00 0.00 55.06 57.17 1xl0 s HIS 571 Cb -0.21 0.30 0.58 0.00 -0.13 0.00 0.00 32.58 33.11 1xl0 s HIS 571 CO 0.17 -0.48 1.99 0.93 -2.47 0.00 0.00 174.74 174.88 1xl0 h GLU 572 N 3.80 0.89 0.00 2.88 5.08 -1.96 -2.44 114.58 122.83 1xl0 h GLU 572 Ca -0.28 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 57.97 1xl0 h GLU 572 Cb 1.16 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1xl0 h GLU 572 CO 0.31 0.60 -0.27 0.10 -1.00 0.00 0.00 179.01 178.75 1xl0 h TYR 573 N 0.92 0.00 0.00 4.33 -0.00 -1.97 -2.11 116.97 118.14 1xl0 h TYR 573 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.98 1xl0 h TYR 573 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.64 1xl0 h TYR 573 CO 0.00 0.27 0.00 1.63 -0.00 0.00 0.00 178.16 180.06 1xl0 n LYS 574 N -3.57 0.18 -3.65 0.10 5.02 -0.93 -2.85 118.16 112.46 1xl0 n LYS 574 Ca -0.01 0.20 -0.21 0.00 -2.02 0.00 0.00 58.31 56.28 1xl0 n LYS 574 Cb 0.41 -1.73 0.05 0.00 -0.02 0.00 0.00 35.03 33.74 1xl0 n LYS 574 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1xl0 n ARG 575 N -2.04 -5.37 0.29 1.97 1.74 -0.79 -4.02 116.66 108.44 1xl0 n ARG 575 Ca 0.05 0.67 0.15 0.00 -0.77 0.00 0.00 57.85 57.95 1xl0 n ARG 575 Cb 0.36 -5.36 0.90 0.00 -1.02 0.00 0.00 32.46 27.35 1xl0 n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1xl0 h GLN 576 N -1.90 0.00 -0.47 5.56 7.50 -1.85 -1.01 115.11 122.95 1xl0 h GLN 576 Ca -0.60 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 58.51 1xl0 h GLN 576 Cb 1.36 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.86 1xl0 h GLN 576 CO 0.55 0.01 0.13 -0.07 -1.50 0.00 0.00 178.83 177.95 1xl0 h LEU 577 N 0.00 0.64 -0.70 1.46 3.38 -1.90 -0.43 115.31 117.76 1xl0 h LEU 577 Ca -0.00 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1xl0 h LEU 577 Cb 0.02 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1xl0 h LEU 577 CO 0.00 0.63 0.20 0.25 0.09 0.00 0.00 178.44 179.61 1xl0 h LEU 578 N 0.68 1.04 -0.52 1.67 5.85 -1.55 -0.96 115.31 121.51 1xl0 h LEU 578 Ca 0.16 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1xl0 h LEU 578 Cb 0.23 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1xl0 h LEU 578 CO -0.01 0.98 0.26 -1.13 -0.34 0.00 0.00 178.44 178.21 1xl0 h ASN 579 N 1.04 0.67 -0.89 1.25 -0.00 -1.33 -2.15 115.58 114.16 1xl0 h ASN 579 Ca 0.22 -0.12 0.05 0.00 -0.00 0.00 0.00 56.30 56.46 1xl0 h ASN 579 Cb 0.33 -0.17 -0.06 0.00 -0.00 0.00 0.00 38.32 38.42 1xl0 h ASN 579 CO -0.00 0.59 0.57 0.00 -0.00 0.00 0.00 177.43 178.59 1xl0 h LEU 581 N 1.07 1.10 -0.44 0.00 3.38 -0.74 -1.41 115.31 118.28 1xl0 h LEU 581 Ca 0.37 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1xl0 h LEU 581 Cb 0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1xl0 h LEU 581 CO -0.15 0.95 0.10 -0.74 0.09 0.00 0.00 178.44 178.69 1xl0 h HIS 582 N 1.19 0.75 -0.43 1.13 2.76 -0.72 -0.98 115.15 118.84 1xl0 h HIS 582 Ca 0.28 -0.09 0.03 0.00 -2.20 0.00 0.00 60.37 58.38 1xl0 h HIS 582 Cb 0.16 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 1xl0 h HIS 582 CO 0.02 0.70 0.23 0.28 -1.30 0.00 0.00 177.93 177.86 1xl0 h VAL 583 N 0.58 1.00 -0.22 5.26 2.07 -0.86 -0.20 116.25 123.88 1xl0 h VAL 583 Ca 0.14 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 1xl0 h VAL 583 Cb 0.34 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1xl0 h VAL 583 CO 0.00 0.08 -0.17 0.40 0.02 0.00 0.00 177.57 177.90 1xl0 h ILE 584 N 0.46 1.23 -0.23 4.57 2.04 -1.12 -1.27 117.51 123.19 1xl0 h ILE 584 Ca 0.18 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 1xl0 h ILE 584 Cb 0.06 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1xl0 h ILE 584 CO -0.11 0.33 0.09 0.74 0.00 0.00 0.00 178.15 179.20 1xl0 h THR 585 N 0.35 1.16 -0.68 -0.27 2.02 -0.25 0.37 112.91 115.62 1xl0 h THR 585 Ca 0.06 -0.49 0.01 0.00 0.77 0.00 0.00 66.41 66.76 1xl0 h THR 585 Cb 0.51 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 1xl0 h THR 585 CO 0.03 0.16 0.45 -0.07 0.37 0.00 0.00 175.52 176.46 1xl0 h LEU 586 N 0.22 0.77 -0.36 2.58 4.07 -0.69 -0.74 115.31 121.16 1xl0 h LEU 586 Ca 0.08 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.00 1xl0 h LEU 586 Cb 0.17 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 1xl0 h LEU 586 CO -0.01 0.56 0.14 0.22 -1.08 0.00 0.00 178.44 178.27 1xl0 h TYR 587 N 0.91 0.55 -0.41 1.13 5.03 -0.97 -2.00 116.97 121.22 1xl0 h TYR 587 Ca 0.25 -0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.46 1xl0 h TYR 587 Cb -0.10 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.00 1xl0 h TYR 587 CO -0.03 0.51 0.04 -0.91 -1.32 0.00 0.00 178.16 176.45 1xl0 h ASN 588 N 0.43 0.60 -0.24 -2.11 2.35 -0.55 -1.78 115.58 114.27 1xl0 h ASN 588 Ca 0.12 -0.11 -0.12 0.00 -0.55 0.00 0.00 56.30 55.64 1xl0 h ASN 588 Cb 0.20 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1xl0 h ASN 588 CO -0.01 0.64 -0.26 0.03 -1.65 0.00 0.00 177.43 176.18 1xl0 h ARG 589 N 0.61 0.73 -0.31 0.81 3.08 -0.93 -1.53 114.38 116.85 1xl0 h ARG 589 Ca 0.13 -0.31 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 1xl0 h ARG 589 Cb 0.33 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1xl0 h ARG 589 CO 0.01 0.91 -0.09 0.82 -1.07 0.00 0.00 179.97 180.55 1xl0 h ILE 590 N 0.63 1.28 0.00 2.04 2.04 -1.05 -2.02 117.51 120.43 1xl0 h ILE 590 Ca 0.08 -1.14 -0.04 0.00 1.00 0.00 0.00 64.86 64.76 1xl0 h ILE 590 Cb 0.77 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1xl0 h ILE 590 CO 0.06 0.37 -0.17 0.11 0.00 0.00 0.00 178.15 178.52 1xl0 h LYS 591 N 0.37 0.00 0.01 2.37 1.79 -1.20 0.10 116.57 120.01 1xl0 h LYS 591 Ca 0.08 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.28 1xl0 h LYS 591 Cb 0.59 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.26 1xl0 h LYS 591 CO 0.03 0.17 -1.04 -0.22 -1.08 0.00 0.00 179.45 177.31 1xl0 h LYS 592 N 0.00 0.65 -2.26 3.15 3.64 -1.07 -3.38 116.57 117.30 1xl0 h LYS 592 Ca -0.00 -0.72 -0.58 0.00 -1.27 0.00 0.00 60.65 58.08 1xl0 h LYS 592 Cb 0.33 0.21 -0.40 0.00 -0.41 0.00 0.00 32.23 31.96 1xl0 h LYS 592 CO 0.02 1.30 -0.92 0.39 -2.27 0.00 0.00 179.45 177.97 1xl0 n GLU 593 N -3.83 0.99 -0.28 1.90 1.02 -0.78 -5.00 120.64 114.65 1xl0 n GLU 593 Ca -0.11 -3.59 0.07 0.00 -0.02 0.00 0.00 57.16 53.51 1xl0 n GLU 593 Cb 0.88 -1.64 0.22 0.00 -0.02 0.00 0.00 31.44 30.88 1xl0 n GLU 593 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1xl0 h PRO 594 N 4.66 0.50 -0.79 3.49 0.11 -1.00 -2.57 132.00 136.40 1xl0 h PRO 594 Ca 0.16 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 1xl0 h PRO 594 Cb 0.84 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 1xl0 h PRO 594 CO 0.53 0.33 0.02 0.09 -0.21 0.00 0.00 178.00 178.75 1xl0 n ASN 595 N -4.95 3.56 -4.87 -2.05 4.13 -1.26 -4.85 115.26 104.97 1xl0 n ASN 595 Ca 0.17 -2.52 -0.37 0.00 1.68 0.00 0.00 54.58 53.54 1xl0 n ASN 595 Cb 0.46 -0.61 -0.06 0.00 -1.54 0.00 0.00 39.78 38.04 1xl0 n ASN 595 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1xl0 s LYS 596 N -1.95 3.63 0.23 3.52 2.36 -0.97 -5.07 119.74 121.50 1xl0 s LYS 596 Ca 0.30 0.07 -0.30 0.00 -2.55 0.00 0.00 55.97 53.48 1xl0 s LYS 596 Cb 0.23 -3.17 -0.09 0.00 -1.05 0.00 0.00 37.83 33.74 1xl0 s LYS 596 CO 0.08 0.72 1.00 0.12 1.55 0.00 0.00 175.35 178.83 1xl0 s PHE 597 N -1.11 3.82 -0.01 4.03 5.36 -1.26 -5.05 117.98 123.76 1xl0 s PHE 597 Ca 0.21 1.82 -0.03 0.00 -0.96 0.00 0.00 56.93 57.96 1xl0 s PHE 597 Cb -0.14 -3.10 0.00 0.00 -0.34 0.00 0.00 43.02 39.44 1xl0 s PHE 597 CO 0.10 0.06 0.08 0.14 -1.46 0.00 0.00 175.22 174.13 1xl0 s VAL 598 N -0.98 0.04 0.06 3.12 -7.23 -1.26 -5.12 120.40 109.04 1xl0 s VAL 598 Ca 0.43 -0.35 -0.31 0.00 -1.81 0.00 0.00 61.98 59.95 1xl0 s VAL 598 Cb -0.28 -0.23 -0.08 0.00 0.56 0.00 0.00 36.38 36.35 1xl0 s VAL 598 CO 0.35 -0.19 1.74 -0.69 -0.31 0.00 0.00 175.10 175.99 1xl0 s VAL 599 N -0.59 2.99 0.33 1.32 1.01 -1.26 -4.93 120.40 119.27 1xl0 s VAL 599 Ca -0.07 0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 1xl0 s VAL 599 Cb -0.04 -3.22 -0.11 0.00 0.00 0.00 0.00 36.38 33.01 1xl0 s VAL 599 CO 0.00 -0.01 1.48 -2.84 0.00 0.00 0.00 175.10 173.73 1xl0 s PRO 600 N 3.10 4.17 0.03 2.72 0.02 -1.26 -4.92 135.00 138.87 1xl0 s PRO 600 Ca 0.77 2.48 0.02 0.00 0.02 0.00 0.00 61.00 64.30 1xl0 s PRO 600 Cb -0.41 -3.02 -0.02 0.00 0.02 0.00 0.00 34.50 31.08 1xl0 s PRO 600 CO 0.34 -0.48 -0.08 1.03 -0.33 0.00 0.00 177.00 177.48 1xl0 s ARG 601 N -1.42 0.54 -0.29 5.54 0.52 -0.39 -0.47 118.95 122.97 1xl0 s ARG 601 Ca 0.56 -0.64 0.03 0.00 -0.52 0.00 0.00 55.73 55.16 1xl0 s ARG 601 Cb -0.45 -0.37 0.07 0.00 0.52 0.00 0.00 34.95 34.72 1xl0 s ARG 601 CO 0.55 0.08 -0.05 0.99 0.02 0.00 0.00 175.30 176.89 1xl0 s THR 602 N -1.07 2.14 -0.34 0.02 2.01 -0.07 -1.93 115.64 116.40 1xl0 s THR 602 Ca -0.06 -1.84 -0.20 0.00 0.31 0.00 0.00 61.69 59.90 1xl0 s THR 602 Cb -0.08 -2.37 -0.00 0.00 0.01 0.00 0.00 72.50 70.05 1xl0 s THR 602 CO 0.00 -0.24 0.59 -0.69 -0.69 0.00 0.00 174.62 173.60 1xl0 s VAL 603 N 1.06 4.94 -0.19 3.82 1.01 0.10 -1.31 120.40 129.84 1xl0 s VAL 603 Ca -0.02 0.56 -0.03 0.00 0.00 0.00 0.00 61.98 62.49 1xl0 s VAL 603 Cb -0.20 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 1xl0 s VAL 603 CO -0.06 -0.24 -0.06 -0.04 0.00 0.00 0.00 175.10 174.69 1xl0 s MET 604 N 2.58 3.41 -0.06 2.72 -1.94 0.19 -0.87 119.30 125.33 1xl0 s MET 604 Ca 0.23 -0.63 0.03 0.00 -1.71 0.00 0.00 55.69 53.61 1xl0 s MET 604 Cb -0.15 -2.91 0.01 0.00 2.01 0.00 0.00 34.83 33.79 1xl0 s MET 604 CO 0.14 -0.05 -0.14 0.42 -0.01 0.00 0.00 175.02 175.37 1xl0 s ILE 605 N 1.09 1.26 0.07 2.53 1.01 -0.60 -0.28 121.20 126.29 1xl0 s ILE 605 Ca 0.01 -0.57 -0.12 0.00 0.00 0.00 0.00 60.65 59.97 1xl0 s ILE 605 Cb -0.15 -1.12 0.01 0.00 0.01 0.00 0.00 42.46 41.21 1xl0 s ILE 605 CO -0.01 0.38 0.27 -0.83 0.00 0.00 0.00 174.94 174.75 1xl0 s GLY 606 N 0.46 -0.05 0.00 6.18 0.00 -0.65 -0.62 107.32 112.63 1xl0 s GLY 606 Ca -0.12 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.34 1xl0 s GLY 606 CO 0.04 -0.47 0.00 0.61 0.00 0.00 0.00 173.10 173.27 1xl0 n GLY 607 N 0.21 3.86 3.91 0.20 0.00 -1.26 -2.02 105.19 110.09 1xl0 n GLY 607 Ca -0.17 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 1xl0 n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xl0 s LYS 608 N -2.61 3.54 -0.07 1.61 1.02 -1.26 -4.63 119.74 117.33 1xl0 s LYS 608 Ca 0.00 -0.25 -0.01 0.00 0.02 0.00 0.00 55.97 55.74 1xl0 s LYS 608 Cb 0.00 -2.90 -0.03 0.00 -0.52 0.00 0.00 37.83 34.38 1xl0 s LYS 608 CO 0.00 0.49 -0.02 0.00 -0.92 0.00 0.00 175.35 174.90 1xl0 s ALA 609 N -1.66 3.18 0.34 5.17 0.00 -1.26 -1.40 121.76 126.12 1xl0 s ALA 609 Ca 0.39 -0.85 -0.29 0.00 0.00 0.00 0.00 51.96 51.21 1xl0 s ALA 609 Cb -0.12 -1.38 -0.11 0.00 0.00 0.00 0.00 23.12 21.51 1xl0 s ALA 609 CO 0.27 0.59 1.48 0.00 0.00 0.00 0.00 175.76 178.10 1xl0 s ALA 610 N -0.87 3.61 0.37 0.00 0.00 -1.26 -4.87 121.76 118.74 1xl0 s ALA 610 Ca 0.13 1.51 0.15 0.00 0.00 0.00 0.00 51.96 53.75 1xl0 s ALA 610 Cb -0.11 -3.60 1.01 0.00 0.00 0.00 0.00 23.12 20.42 1xl0 s ALA 610 CO 0.03 -0.95 1.77 -1.35 0.00 0.00 0.00 175.76 175.25 1xl0 h PRO 611 N 3.71 0.47 -0.58 0.00 0.11 -1.98 -1.55 132.00 132.16 1xl0 h PRO 611 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1xl0 h PRO 611 Cb 1.23 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1xl0 h PRO 611 CO 0.69 0.31 0.00 0.41 -0.21 0.00 0.00 178.00 179.20 1xl0 n GLY 612 N -1.42 1.89 3.40 -0.55 0.00 -1.26 -4.76 105.19 102.49 1xl0 n GLY 612 Ca 0.25 -0.69 -0.45 0.00 0.00 0.00 0.00 46.02 45.13 1xl0 n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xl0 s TYR 613 N -1.22 3.41 0.14 1.61 6.04 -0.59 -4.92 117.35 121.82 1xl0 s TYR 613 Ca 0.42 -1.67 -0.21 0.00 0.04 0.00 0.00 57.07 55.65 1xl0 s TYR 613 Cb 0.22 -4.08 0.00 0.00 -1.04 0.00 0.00 41.96 37.07 1xl0 s TYR 613 CO 0.30 -1.27 1.66 1.25 -1.54 0.00 0.00 175.55 175.95 1xl0 h HIS 614 N 8.35 -0.39 -0.96 4.97 -0.00 -1.85 -2.14 115.15 123.14 1xl0 h HIS 614 Ca 0.14 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.57 1xl0 h HIS 614 Cb 1.03 0.20 -0.05 0.00 -0.00 0.00 0.00 27.41 28.59 1xl0 h HIS 614 CO 1.11 -0.22 0.63 1.98 -0.00 0.00 0.00 177.93 181.43 1xl0 h MET 615 N -0.16 1.18 -0.55 5.26 1.85 -1.98 -0.75 114.93 119.77 1xl0 h MET 615 Ca 0.12 -0.07 -0.06 0.00 -0.61 0.00 0.00 59.70 59.07 1xl0 h MET 615 Cb 0.33 -0.27 -0.02 0.00 0.43 0.00 0.00 31.60 32.07 1xl0 h MET 615 CO -0.29 0.78 0.09 0.00 -0.40 0.00 0.00 176.91 177.10 1xl0 h ALA 616 N 1.44 1.12 -0.12 0.39 0.00 -1.82 -0.82 119.26 119.44 1xl0 h ALA 616 Ca 0.38 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1xl0 h ALA 616 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1xl0 h ALA 616 CO -0.11 0.58 -0.45 0.87 0.00 0.00 0.00 179.25 180.14 1xl0 h LYS 617 N 0.84 0.29 -0.05 0.00 1.57 -0.65 -2.59 116.57 115.98 1xl0 h LYS 617 Ca 0.17 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1xl0 h LYS 617 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1xl0 h LYS 617 CO 0.01 0.68 -0.50 0.52 -0.57 0.00 0.00 179.45 179.59 1xl0 h MET 618 N 0.24 0.13 -0.35 3.15 2.86 -0.54 -2.52 114.93 117.89 1xl0 h MET 618 Ca 0.02 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.46 1xl0 h MET 618 Cb 0.89 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 1xl0 h MET 618 CO 0.07 0.60 -0.28 0.82 1.06 0.00 0.00 176.91 179.18 1xl0 h ILE 619 N 0.10 1.28 -0.37 -1.22 2.04 -0.85 -0.79 117.51 117.69 1xl0 h ILE 619 Ca 0.00 -1.41 -0.04 0.00 1.00 0.00 0.00 64.86 64.42 1xl0 h ILE 619 Cb 0.92 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 1xl0 h ILE 619 CO 0.07 0.46 0.09 0.40 0.00 0.00 0.00 178.15 179.17 1xl0 h ILE 620 N 0.62 1.23 -0.95 -0.67 2.04 -1.26 -1.68 117.51 116.85 1xl0 h ILE 620 Ca 0.08 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 1xl0 h ILE 620 Cb 0.79 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 1xl0 h ILE 620 CO 0.07 0.27 0.58 0.50 0.00 0.00 0.00 178.15 179.57 1xl0 h LYS 621 N 0.46 1.28 -0.46 2.37 1.63 -1.22 -2.11 116.57 118.52 1xl0 h LYS 621 Ca 0.12 -0.11 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1xl0 h LYS 621 Cb 0.31 -0.27 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 1xl0 h LYS 621 CO 0.00 0.89 0.28 1.25 -3.45 0.00 0.00 179.45 178.42 1xl0 h LEU 622 N 1.31 0.55 -0.31 5.20 6.46 -0.83 0.03 115.31 127.72 1xl0 h LEU 622 Ca 0.34 -0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 58.05 1xl0 h LEU 622 Cb -0.08 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.70 1xl0 h LEU 622 CO -0.07 0.44 0.19 0.40 -0.62 0.00 0.00 178.44 178.79 1xl0 h ILE 623 N 0.61 1.10 -0.22 4.05 2.04 -0.86 0.16 117.51 124.38 1xl0 h ILE 623 Ca 0.16 -0.23 -0.10 0.00 1.00 0.00 0.00 64.86 65.70 1xl0 h ILE 623 Cb -0.01 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1xl0 h ILE 623 CO -0.03 0.10 -0.29 0.71 0.00 0.00 0.00 178.15 178.64 1xl0 h THR 624 N 0.40 1.27 -0.71 -0.27 1.35 -1.23 -1.72 112.91 112.00 1xl0 h THR 624 Ca 0.11 -1.32 -0.06 0.00 -0.55 0.00 0.00 66.41 64.59 1xl0 h THR 624 Cb -0.00 1.42 -0.03 0.00 -1.73 0.00 0.00 68.15 67.80 1xl0 h THR 624 CO -0.02 0.41 0.21 0.00 -0.25 0.00 0.00 175.52 175.87 1xl0 h ALA 625 N 1.31 0.94 -0.58 6.62 0.00 -0.50 0.13 119.26 127.18 1xl0 h ALA 625 Ca 0.05 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1xl0 h ALA 625 Cb 0.70 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1xl0 h ALA 625 CO 0.05 0.63 0.15 0.82 0.00 0.00 0.00 179.25 180.90 1xl0 h ILE 626 N 1.06 1.25 -0.89 0.00 2.04 -0.69 -2.61 117.51 117.66 1xl0 h ILE 626 Ca 0.23 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 1xl0 h ILE 626 Cb 0.33 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1xl0 h ILE 626 CO -0.00 0.33 0.52 1.23 0.00 0.00 0.00 178.15 180.22 1xl0 h GLY 627 N 0.83 1.31 0.60 5.37 0.00 -0.76 -0.08 103.07 110.34 1xl0 h GLY 627 Ca 0.18 -0.57 0.09 0.00 0.00 0.00 0.00 47.33 47.03 1xl0 h GLY 627 CO 0.00 0.55 0.62 -0.55 0.00 0.00 0.00 176.54 177.16 1xl0 h ASP 628 N 1.24 0.95 0.01 0.19 3.45 -0.61 0.10 116.42 121.75 1xl0 h ASP 628 Ca 0.32 0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.81 1xl0 h ASP 628 Cb -0.02 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.59 1xl0 h ASP 628 CO -0.06 0.56 -0.00 0.58 -1.57 0.00 0.00 179.24 178.75 1xl0 h VAL 629 N 1.06 1.04 -0.34 -1.35 2.07 -1.24 -3.33 116.25 114.17 1xl0 h VAL 629 Ca 0.46 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1xl0 h VAL 629 Cb 0.32 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1xl0 h VAL 629 CO -0.22 0.35 0.22 0.58 0.02 0.00 0.00 177.57 178.52 1xl0 h VAL 630 N -0.99 1.10 0.00 2.57 2.07 -0.96 -2.83 116.25 117.22 1xl0 h VAL 630 Ca -0.00 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1xl0 h VAL 630 Cb 0.58 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1xl0 h VAL 630 CO 0.00 0.10 0.00 0.59 0.02 0.00 0.00 177.57 178.28 1xl0 n ASN 631 N -4.83 0.07 -0.15 0.57 3.02 0.35 -2.95 115.26 111.34 1xl0 n ASN 631 Ca -0.01 0.52 0.01 0.00 -0.03 0.00 0.00 54.58 55.07 1xl0 n ASN 631 Cb 0.04 -0.53 0.03 0.00 -0.61 0.00 0.00 39.78 38.71 1xl0 n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1xl0 n HIS 632 N -1.58 0.10 -2.86 3.10 8.25 -1.11 -4.96 115.22 116.15 1xl0 n HIS 632 Ca 0.03 -0.44 -0.43 0.00 -0.26 0.00 0.00 57.72 56.63 1xl0 n HIS 632 Cb 0.18 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.21 1xl0 n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1xl0 s ASP 633 N -0.91 6.59 0.28 0.41 -1.08 -1.08 -4.93 116.67 115.95 1xl0 s ASP 633 Ca 0.05 0.40 0.01 0.00 -0.52 0.00 0.00 52.55 52.49 1xl0 s ASP 633 Cb 0.03 -2.44 0.58 0.00 -1.46 0.00 0.00 42.92 39.63 1xl0 s ASP 633 CO 0.04 -0.85 1.79 -0.65 0.52 0.00 0.00 175.17 176.02 1xl0 h PRO 634 N 8.60 0.77 -0.33 4.34 0.11 -1.93 -2.10 132.00 141.47 1xl0 h PRO 634 Ca -0.24 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 1xl0 h PRO 634 Cb 1.08 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 1xl0 h PRO 634 CO 0.97 0.51 0.10 0.28 -0.21 0.00 0.00 178.00 179.64 1xl0 h VAL 635 N 0.79 1.15 -0.34 3.15 2.07 -1.97 -2.78 116.25 118.32 1xl0 h VAL 635 Ca 0.50 -0.49 -0.17 0.00 0.82 0.00 0.00 66.70 67.36 1xl0 h VAL 635 Cb 0.64 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1xl0 h VAL 635 CO -0.33 0.18 -0.47 0.58 0.02 0.00 0.00 177.57 177.56 1xl0 h VAL 636 N 0.47 1.27 0.00 2.57 2.07 -1.72 -3.48 116.25 117.42 1xl0 h VAL 636 Ca 0.11 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 65.99 1xl0 h VAL 636 Cb 0.15 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1xl0 h VAL 636 CO -0.01 0.54 0.00 0.61 0.02 0.00 0.00 177.57 178.74 1xl0 n GLY 637 N 0.24 2.48 1.73 2.17 0.00 -1.05 -2.22 105.19 108.54 1xl0 n GLY 637 Ca -0.03 -0.45 0.06 0.00 0.00 0.00 0.00 46.02 45.60 1xl0 n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xl0 n ASP 638 N 2.40 5.18 0.11 1.61 5.75 -1.26 -4.31 116.55 126.03 1xl0 n ASP 638 Ca 0.00 -2.82 -0.01 0.00 -0.01 0.00 0.00 54.79 51.95 1xl0 n ASP 638 Cb 0.00 -0.67 -0.02 0.00 -1.03 0.00 0.00 41.12 39.40 1xl0 n ASP 638 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1xl0 h ARG 639 N 3.52 0.00 -2.80 0.11 3.08 -1.79 -3.43 114.38 113.07 1xl0 h ARG 639 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1xl0 h ARG 639 Cb 1.81 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 31.56 1xl0 h ARG 639 CO 0.44 0.69 -0.43 -1.17 -1.07 0.00 0.00 179.97 178.42 1xl0 s LEU 640 N -6.57 -0.10 -0.02 3.04 2.96 -1.26 -1.26 118.68 115.48 1xl0 s LEU 640 Ca 0.03 0.71 0.03 0.00 -0.22 0.00 0.00 54.13 54.68 1xl0 s LEU 640 Cb 0.09 0.98 -0.00 0.00 0.50 0.00 0.00 46.19 47.75 1xl0 s LEU 640 CO 0.77 -0.21 -0.11 -0.13 -1.32 0.00 0.00 176.35 175.36 1xl0 s ARG 641 N 1.86 0.98 -0.23 1.98 1.81 -0.81 -4.65 118.95 119.89 1xl0 s ARG 641 Ca -0.05 -0.39 0.02 0.00 -1.72 0.00 0.00 55.73 53.59 1xl0 s ARG 641 Cb -0.11 -0.93 0.05 0.00 -0.45 0.00 0.00 34.95 33.51 1xl0 s ARG 641 CO -0.10 0.21 -0.12 0.08 -0.68 0.00 0.00 175.30 174.68 1xl0 s VAL 642 N -0.11 1.99 -0.04 3.52 1.01 -1.26 0.02 120.40 125.53 1xl0 s VAL 642 Ca 0.02 -1.35 0.06 0.00 0.00 0.00 0.00 61.98 60.71 1xl0 s VAL 642 Cb -0.06 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 1xl0 s VAL 642 CO -0.00 0.11 -0.23 -0.63 0.00 0.00 0.00 175.10 174.34 1xl0 s ILE 643 N 1.22 1.90 -0.34 2.22 1.09 -0.05 -4.54 121.20 122.69 1xl0 s ILE 643 Ca -0.05 -0.99 -0.12 0.00 -1.10 0.00 0.00 60.65 58.39 1xl0 s ILE 643 Cb -0.18 -1.60 -0.01 0.00 -1.06 0.00 0.00 42.46 39.61 1xl0 s ILE 643 CO -0.07 0.53 0.22 0.12 -0.10 0.00 0.00 174.94 175.64 1xl0 s PHE 644 N -0.25 3.22 -0.44 3.97 2.19 -1.26 -1.55 117.98 123.86 1xl0 s PHE 644 Ca 0.00 -0.36 -0.28 0.00 0.33 0.00 0.00 56.93 56.62 1xl0 s PHE 644 Cb -0.12 -2.45 0.01 0.00 -1.31 0.00 0.00 43.02 39.14 1xl0 s PHE 644 CO 0.02 -0.41 1.48 -0.51 1.83 0.00 0.00 175.22 177.63 1xl0 s LEU 645 N 1.69 3.53 0.33 6.12 1.02 0.21 -4.96 118.68 126.62 1xl0 s LEU 645 Ca 0.05 0.77 -0.28 0.00 0.02 0.00 0.00 54.13 54.70 1xl0 s LEU 645 Cb -0.18 -3.41 -0.09 0.00 0.02 0.00 0.00 46.19 42.53 1xl0 s LEU 645 CO 0.09 -1.56 1.19 -0.70 0.02 0.00 0.00 176.35 175.39 1xl0 s GLU 646 N 5.23 4.36 -1.34 1.70 2.12 -1.26 -4.01 118.70 125.50 1xl0 s GLU 646 Ca 0.62 1.96 -0.01 0.00 0.36 0.00 0.00 54.97 57.91 1xl0 s GLU 646 Cb -0.14 -2.99 0.01 0.00 0.26 0.00 0.00 34.13 31.26 1xl0 s GLU 646 CO 0.31 -0.09 0.67 -1.71 -0.54 0.00 0.00 175.26 173.91 1xl0 n ASN 647 N 0.71 -1.24 -4.70 -1.70 5.15 -1.25 -4.89 115.26 107.35 1xl0 n ASN 647 Ca 0.01 -0.85 -0.44 0.00 -0.60 0.00 0.00 54.58 52.71 1xl0 n ASN 647 Cb 0.44 -3.89 -0.04 0.00 -0.53 0.00 0.00 39.78 35.76 1xl0 n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xl0 n TYR 648 N -4.32 2.55 -3.88 1.20 9.36 -1.26 -4.86 117.16 115.95 1xl0 n TYR 648 Ca -0.28 0.10 -0.10 0.00 3.32 0.00 0.00 57.90 60.93 1xl0 n TYR 648 Cb 0.67 -2.63 0.00 0.00 -0.63 0.00 0.00 39.34 36.75 1xl0 n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 1xl0 s ARG 649 N 1.37 2.13 0.17 2.98 1.70 -1.26 -4.71 118.95 121.33 1xl0 s ARG 649 Ca 0.78 -1.50 -0.14 0.00 -0.47 0.00 0.00 55.73 54.40 1xl0 s ARG 649 Cb -0.57 0.58 0.14 0.00 -0.57 0.00 0.00 34.95 34.53 1xl0 s ARG 649 CO 0.36 -0.97 1.72 0.28 -1.08 0.00 0.00 175.30 175.61 1xl0 h VAL 650 N 2.03 0.77 -0.26 4.99 2.07 -1.96 0.12 116.25 124.01 1xl0 h VAL 650 Ca -0.31 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1xl0 h VAL 650 Cb 1.25 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1xl0 h VAL 650 CO 0.39 0.04 0.07 0.77 0.02 0.00 0.00 177.57 178.87 1xl0 h SER 651 N 0.22 0.32 0.44 0.57 4.64 -1.97 -1.61 113.55 116.16 1xl0 h SER 651 Ca 0.22 -0.03 -0.22 0.00 -0.47 0.00 0.00 61.79 61.29 1xl0 h SER 651 Cb 0.27 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1xl0 h SER 651 CO -0.28 0.32 -0.93 0.25 -0.87 0.00 0.00 176.83 175.32 1xl0 h LEU 652 N 0.36 0.43 -1.09 5.97 5.85 -1.65 -3.14 115.31 122.03 1xl0 h LEU 652 Ca 0.09 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1xl0 h LEU 652 Cb 0.13 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1xl0 h LEU 652 CO -0.01 1.15 0.48 0.00 -0.34 0.00 0.00 178.44 179.73 1xl0 h ALA 653 N 0.82 1.31 0.00 1.25 0.00 -0.19 -0.74 119.26 121.72 1xl0 h ALA 653 Ca -0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1xl0 h ALA 653 Cb 1.56 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1xl0 h ALA 653 CO 0.15 0.58 -0.01 0.93 0.00 0.00 0.00 179.25 180.91 1xl0 h GLU 654 N 1.13 0.00 0.02 0.00 5.08 -1.28 -1.87 114.58 117.66 1xl0 h GLU 654 Ca 0.29 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.31 1xl0 h GLU 654 Cb -0.03 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1xl0 h GLU 654 CO -0.05 0.01 -1.89 1.63 -1.00 0.00 0.00 179.01 177.70 1xl0 n LYS 655 N -3.12 0.61 0.08 2.33 5.02 -0.41 -4.48 118.16 118.18 1xl0 n LYS 655 Ca -0.02 0.40 -0.13 0.00 -2.02 0.00 0.00 58.31 56.54 1xl0 n LYS 655 Cb 0.17 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 33.47 1xl0 n LYS 655 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1xl0 h VAL 656 N -0.77 1.44 -0.56 -0.18 3.04 -1.19 -3.32 116.25 114.71 1xl0 h VAL 656 Ca -0.50 -2.64 0.00 0.00 -1.01 0.00 0.00 66.70 62.56 1xl0 h VAL 656 Cb 1.56 2.56 -0.03 0.00 -2.01 0.00 0.00 31.29 33.37 1xl0 h VAL 656 CO -0.23 0.78 0.36 0.40 -1.01 0.00 0.00 177.57 177.86 1xl0 h ILE 657 N 0.17 1.16 0.00 3.17 2.04 -1.57 -1.47 117.51 121.01 1xl0 h ILE 657 Ca -0.09 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 1xl0 h ILE 657 Cb 1.67 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1xl0 h ILE 657 CO 0.17 0.16 -0.02 -0.65 0.00 0.00 0.00 178.15 177.81 1xl0 h PRO 658 N 0.76 0.00 -0.01 2.37 0.11 -1.79 -2.31 132.00 131.13 1xl0 h PRO 658 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1xl0 h PRO 658 Cb -0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1xl0 h PRO 658 CO -0.04 0.02 -0.25 0.00 -0.21 0.00 0.00 178.00 177.52 1xl0 n ALA 659 N -2.12 3.07 -1.83 -0.75 0.00 -0.60 -4.75 120.51 113.52 1xl0 n ALA 659 Ca -0.02 -0.48 -0.35 0.00 0.00 0.00 0.00 53.44 52.60 1xl0 n ALA 659 Cb 0.18 -1.05 -0.07 0.00 0.00 0.00 0.00 19.45 18.52 1xl0 n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xl0 s ALA 660 N -2.39 3.14 -0.19 0.00 0.00 -0.87 -4.61 121.76 116.84 1xl0 s ALA 660 Ca 0.25 0.43 -0.00 0.00 0.00 0.00 0.00 51.96 52.64 1xl0 s ALA 660 Cb 0.19 -3.13 -0.11 0.00 0.00 0.00 0.00 23.12 20.06 1xl0 s ALA 660 CO 0.49 0.17 -0.18 -0.25 0.00 0.00 0.00 175.76 175.99 1xl0 n ASP 661 N -0.03 2.38 -4.11 0.00 8.00 -0.48 -4.19 116.55 118.13 1xl0 n ASP 661 Ca 0.04 -0.04 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 1xl0 n ASP 661 Cb 0.52 -0.34 -0.17 0.00 -0.02 0.00 0.00 41.12 41.12 1xl0 n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1xl0 s LEU 662 N -6.23 1.90 -0.27 0.64 0.20 -0.35 -0.09 118.68 114.48 1xl0 s LEU 662 Ca -0.25 -0.50 -0.10 0.00 0.69 0.00 0.00 54.13 53.97 1xl0 s LEU 662 Cb 0.07 -1.24 -0.05 0.00 -0.43 0.00 0.00 46.19 44.54 1xl0 s LEU 662 CO 0.41 0.05 0.16 -0.55 -0.29 0.00 0.00 176.35 176.14 1xl0 s SER 663 N 0.85 5.87 -0.42 3.68 0.15 0.66 -1.66 113.70 122.84 1xl0 s SER 663 Ca -0.08 -0.02 -0.20 0.00 0.70 0.00 0.00 55.95 56.34 1xl0 s SER 663 Cb -0.15 -2.08 0.02 0.00 -1.71 0.00 0.00 66.02 62.09 1xl0 s SER 663 CO -0.01 -0.03 0.60 -1.61 1.20 0.00 0.00 173.24 173.40 1xl0 s GLU 664 N 1.60 3.30 -0.54 5.44 0.41 -0.91 -1.32 118.70 126.68 1xl0 s GLU 664 Ca 0.07 -0.39 0.06 0.00 -0.41 0.00 0.00 54.97 54.30 1xl0 s GLU 664 Cb -0.15 -3.93 0.20 0.00 -1.78 0.00 0.00 34.13 28.46 1xl0 s GLU 664 CO 0.09 -0.94 0.51 1.04 -0.49 0.00 0.00 175.26 175.46 1xl0 n GLN 665 N 6.11 1.27 -1.33 1.61 1.13 -0.78 -4.79 117.38 120.60 1xl0 n GLN 665 Ca -0.03 -3.89 -0.15 0.00 -1.94 0.00 0.00 57.00 50.99 1xl0 n GLN 665 Cb 0.48 -1.89 0.11 0.00 0.11 0.00 0.00 30.24 29.06 1xl0 n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1xl0 n ILE 666 N 1.87 2.66 -1.75 5.09 -5.35 -1.26 -2.32 119.36 118.30 1xl0 n ILE 666 Ca 0.25 -3.41 -0.34 0.00 -0.27 0.00 0.00 62.75 58.98 1xl0 n ILE 666 Cb 0.44 -0.75 0.05 0.00 -1.74 0.00 0.00 39.64 37.64 1xl0 n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1xl0 s SER 667 N -2.94 4.92 0.23 7.28 1.04 -1.26 -4.64 113.70 118.35 1xl0 s SER 667 Ca 0.49 2.16 -0.30 0.00 0.48 0.00 0.00 55.95 58.78 1xl0 s SER 667 Cb 0.42 -2.57 -0.10 0.00 0.10 0.00 0.00 66.02 63.87 1xl0 s SER 667 CO 0.00 -1.76 1.49 -0.89 0.98 0.00 0.00 173.24 173.06 1xl0 s THR 668 N -2.10 2.58 -0.00 2.02 2.01 -1.13 -4.67 115.64 114.34 1xl0 s THR 668 Ca 0.71 0.46 -0.38 0.00 0.31 0.00 0.00 61.69 62.79 1xl0 s THR 668 Cb -0.24 -3.30 -0.17 0.00 0.01 0.00 0.00 72.50 68.80 1xl0 s THR 668 CO 0.40 0.06 1.39 0.00 -0.69 0.00 0.00 174.62 175.78 1xl0 n ALA 669 N 2.73 -1.16 -0.35 7.40 0.00 -1.26 -1.85 120.51 126.02 1xl0 n ALA 669 Ca 0.09 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1xl0 n ALA 669 Cb 0.39 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1xl0 n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xl0 n GLY 670 N 2.73 0.73 0.07 0.00 0.00 -1.26 -4.68 105.19 102.77 1xl0 n GLY 670 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 1xl0 n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xl0 n THR 671 N -2.12 0.82 -2.93 2.61 -2.24 -0.77 -4.85 114.28 104.80 1xl0 n THR 671 Ca 0.00 -0.41 -0.43 0.00 -2.27 0.00 0.00 64.05 60.94 1xl0 n THR 671 Cb 0.00 -0.85 -0.04 0.00 -2.10 0.00 0.00 70.33 67.33 1xl0 n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1xl0 s GLU 672 N -2.29 3.16 0.25 -0.78 2.56 -1.26 -4.77 118.70 115.58 1xl0 s GLU 672 Ca -0.13 -0.74 -0.09 0.00 0.00 0.00 0.00 54.97 54.01 1xl0 s GLU 672 Cb 0.04 -4.16 0.41 0.00 2.00 0.00 0.00 34.13 32.42 1xl0 s GLU 672 CO 0.41 -1.59 1.60 0.00 -0.56 0.00 0.00 175.26 175.12 1xl0 h ALA 673 N 9.35 0.66 0.00 6.30 0.00 -1.89 -2.78 119.26 130.91 1xl0 h ALA 673 Ca -0.28 0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xl0 h ALA 673 Cb 1.08 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1xl0 h ALA 673 CO 1.11 -0.42 0.00 0.45 0.00 0.00 0.00 179.25 180.38 1xl0 n SER 674 N -5.48 -0.60 0.00 0.00 2.88 -1.26 -4.23 113.62 104.93 1xl0 n SER 674 Ca 0.13 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 1xl0 n SER 674 Cb 0.46 0.75 0.00 0.00 -0.75 0.00 0.00 64.21 64.67 1xl0 n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xl0 n GLY 675 N 1.12 -0.70 0.00 0.46 0.00 -1.26 -1.01 105.19 103.80 1xl0 n GLY 675 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1xl0 n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xl0 n THR 676 N 0.12 0.00 -0.04 2.61 -2.24 -1.26 -4.71 114.28 108.76 1xl0 n THR 676 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1xl0 n THR 676 Cb 0.00 -0.04 0.38 0.00 -2.10 0.00 0.00 70.33 68.57 1xl0 n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1xl0 h GLY 677 N 0.00 0.66 0.55 3.38 0.00 -1.95 -1.39 103.07 104.32 1xl0 h GLY 677 Ca 0.00 -0.26 0.10 0.00 0.00 0.00 0.00 47.33 47.17 1xl0 h GLY 677 CO 0.00 0.25 0.54 3.45 0.00 0.00 0.00 176.54 180.78 1xl0 h ASN 678 N 0.63 0.80 -0.38 0.19 -0.00 -1.94 -1.59 115.58 113.29 1xl0 h ASN 678 Ca 0.17 0.04 -0.12 0.00 -0.00 0.00 0.00 56.30 56.39 1xl0 h ASN 678 Cb -0.03 -0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 38.16 1xl0 h ASN 678 CO -0.03 0.46 -0.19 0.24 -0.00 0.00 0.00 177.43 177.90 1xl0 h MET 679 N 0.90 0.87 -0.64 4.14 2.86 -1.57 -2.49 114.93 119.02 1xl0 h MET 679 Ca 0.43 -0.35 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1xl0 h MET 679 Cb 0.36 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 1xl0 h MET 679 CO -0.24 0.99 0.39 0.87 1.06 0.00 0.00 176.91 179.98 1xl0 h LYS 680 N 0.76 0.86 -0.52 1.72 1.57 -0.90 -1.85 116.57 118.22 1xl0 h LYS 680 Ca 0.11 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 1xl0 h LYS 680 Cb 0.73 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1xl0 h LYS 680 CO 0.06 0.62 0.05 0.74 -0.57 0.00 0.00 179.45 180.34 1xl0 h PHE 681 N 0.86 0.96 -0.69 -1.35 0.04 -1.27 -2.67 116.94 112.81 1xl0 h PHE 681 Ca 0.23 -0.15 -0.03 0.00 2.80 0.00 0.00 57.97 60.82 1xl0 h PHE 681 Cb -0.03 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 37.83 1xl0 h PHE 681 CO -0.02 0.87 0.31 1.98 -0.60 0.00 0.00 178.31 180.85 1xl0 h MET 682 N 0.77 1.00 0.00 1.51 4.05 -1.17 -2.25 114.93 118.84 1xl0 h MET 682 Ca 0.15 -0.15 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1xl0 h MET 682 Cb 0.45 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1xl0 h MET 682 CO 0.02 0.79 -0.09 1.25 0.23 0.00 0.00 176.91 179.10 1xl0 h LEU 683 N 0.99 0.00 -3.19 3.39 5.85 -1.23 -3.26 115.31 117.86 1xl0 h LEU 683 Ca 0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1xl0 h LEU 683 Cb 0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1xl0 h LEU 683 CO -0.03 0.09 0.00 0.59 -0.34 0.00 0.00 178.44 178.76 1xl0 n ASN 684 N -3.18 4.64 0.00 1.25 3.02 -0.90 -4.93 115.26 115.15 1xl0 n ASN 684 Ca 0.01 -2.54 0.00 0.00 -0.03 0.00 0.00 54.58 52.02 1xl0 n ASN 684 Cb 0.42 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 1xl0 n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xl0 n GLY 685 N 0.81 0.83 3.65 7.41 0.00 -1.15 -4.79 105.19 111.94 1xl0 n GLY 685 Ca 0.24 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 1xl0 n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xl0 s ALA 686 N -2.00 3.19 0.37 4.61 0.00 -0.90 -4.78 121.76 122.25 1xl0 s ALA 686 Ca 0.00 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 50.82 1xl0 s ALA 686 Cb 0.00 -1.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 1xl0 s ALA 686 CO 0.00 0.67 0.65 -0.51 0.00 0.00 0.00 175.76 176.57 1xl0 s LEU 687 N -2.02 3.90 -0.11 0.00 1.43 0.87 -4.41 118.68 118.34 1xl0 s LEU 687 Ca 0.23 0.79 0.01 0.00 -1.03 0.00 0.00 54.13 54.13 1xl0 s LEU 687 Cb -0.11 -3.66 -0.02 0.00 0.03 0.00 0.00 46.19 42.42 1xl0 s LEU 687 CO 0.14 -0.34 -0.13 -0.89 0.23 0.00 0.00 176.35 175.36 1xl0 s THR 688 N -2.34 3.10 -0.22 5.49 2.01 -1.26 -0.24 115.64 122.18 1xl0 s THR 688 Ca 0.45 -0.66 -0.03 0.00 0.31 0.00 0.00 61.69 61.76 1xl0 s THR 688 Cb -0.10 -2.28 -0.01 0.00 0.01 0.00 0.00 72.50 70.12 1xl0 s THR 688 CO 0.35 0.54 -0.06 -0.51 -0.69 0.00 0.00 174.62 174.25 1xl0 s ILE 689 N 0.07 3.26 0.21 1.82 2.07 -0.43 -1.25 121.20 126.95 1xl0 s ILE 689 Ca -0.05 -0.54 -0.22 0.00 -1.41 0.00 0.00 60.65 58.43 1xl0 s ILE 689 Cb -0.15 -2.48 0.06 0.00 0.13 0.00 0.00 42.46 40.03 1xl0 s ILE 689 CO 0.04 0.43 0.92 -0.83 -1.91 0.00 0.00 174.94 173.59 1xl0 s GLY 690 N 1.46 -0.03 0.47 1.50 0.00 -0.25 -1.86 107.32 108.61 1xl0 s GLY 690 Ca 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 44.72 44.57 1xl0 s GLY 690 CO -0.04 0.56 0.73 -0.51 0.00 0.00 0.00 173.10 173.84 1xl0 s THR 691 N -2.93 4.22 -1.39 0.90 -4.23 -0.98 -2.14 115.64 109.09 1xl0 s THR 691 Ca 0.15 -0.26 -0.15 0.00 -1.18 0.00 0.00 61.69 60.25 1xl0 s THR 691 Cb -0.03 -3.59 0.06 0.00 1.34 0.00 0.00 72.50 70.28 1xl0 s THR 691 CO 0.05 -0.48 2.01 0.23 -0.54 0.00 0.00 174.62 175.89 1xl0 n MET 692 N -2.19 3.03 -4.19 3.99 2.81 -1.26 -4.67 117.12 114.64 1xl0 n MET 692 Ca 0.01 -2.93 -0.18 0.00 -1.81 0.00 0.00 57.70 52.79 1xl0 n MET 692 Cb 0.57 -3.34 -0.12 0.00 -0.71 0.00 0.00 33.22 29.63 1xl0 n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1xl0 s ASP 693 N 3.43 1.71 0.36 7.83 3.68 -1.26 -4.62 116.67 127.79 1xl0 s ASP 693 Ca 0.49 -0.69 0.00 0.00 2.13 0.00 0.00 52.55 54.48 1xl0 s ASP 693 Cb 0.10 -0.04 0.00 0.00 -1.45 0.00 0.00 42.92 41.52 1xl0 s ASP 693 CO -0.02 -0.12 0.00 0.61 0.13 0.00 0.00 175.17 175.77 1xl0 n GLY 694 N 0.99 1.94 0.03 2.66 0.00 -1.05 -1.10 105.19 108.67 1xl0 n GLY 694 Ca -0.19 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 45.65 1xl0 n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xl0 n ALA 695 N 6.60 1.73 -0.33 4.61 0.00 -0.18 -3.03 120.51 129.91 1xl0 n ALA 695 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.51 1xl0 n ALA 695 Cb 0.00 -1.29 0.29 0.00 0.00 0.00 0.00 19.45 18.45 1xl0 n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1xl0 h ASN 696 N 0.00 0.82 -0.56 0.00 4.21 -1.32 0.71 115.58 119.45 1xl0 h ASN 696 Ca 0.00 0.05 0.02 0.00 1.21 0.00 0.00 56.30 57.57 1xl0 h ASN 696 Cb 0.31 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 37.36 1xl0 h ASN 696 CO 0.00 0.42 0.35 0.58 -1.29 0.00 0.00 177.43 177.50 1xl0 h VAL 697 N 0.88 1.10 -0.02 2.81 2.07 -1.61 -0.72 116.25 120.76 1xl0 h VAL 697 Ca 0.48 -0.24 -0.18 0.00 0.82 0.00 0.00 66.70 67.58 1xl0 h VAL 697 Cb 0.59 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1xl0 h VAL 697 CO -0.25 0.13 -0.79 -0.33 0.02 0.00 0.00 177.57 176.35 1xl0 h GLU 698 N 0.71 0.18 -0.27 1.57 5.08 -1.45 -1.88 114.58 118.53 1xl0 h GLU 698 Ca 0.22 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1xl0 h GLU 698 Cb -0.03 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1xl0 h GLU 698 CO -0.07 0.88 0.07 0.52 -1.00 0.00 0.00 179.01 179.40 1xl0 h MET 699 N 0.11 0.42 -0.55 2.33 2.86 -0.57 0.89 114.93 120.42 1xl0 h MET 699 Ca -0.03 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 1xl0 h MET 699 Cb 1.38 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.95 1xl0 h MET 699 CO 0.12 0.50 0.13 0.00 1.06 0.00 0.00 176.91 178.72 1xl0 h ALA 700 N 0.90 1.20 -0.63 6.32 0.00 -1.13 -0.61 119.26 125.32 1xl0 h ALA 700 Ca 0.08 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1xl0 h ALA 700 Cb 0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1xl0 h ALA 700 CO -0.00 0.55 0.09 1.49 0.00 0.00 0.00 179.25 181.38 1xl0 h GLU 701 N 0.81 1.05 -0.21 0.00 4.81 -1.01 0.55 114.58 120.58 1xl0 h GLU 701 Ca 0.18 -0.29 -0.10 0.00 -0.13 0.00 0.00 59.36 59.03 1xl0 h GLU 701 Cb 0.30 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 1xl0 h GLU 701 CO -0.00 0.98 -0.24 0.93 -0.73 0.00 0.00 179.01 179.95 1xl0 h GLU 702 N 0.96 0.53 0.00 1.92 4.39 -0.33 -3.29 114.58 118.76 1xl0 h GLU 702 Ca 0.19 -0.29 -0.08 0.00 0.34 0.00 0.00 59.36 59.52 1xl0 h GLU 702 Cb 0.44 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1xl0 h GLU 702 CO 0.01 0.88 -0.71 0.00 -1.16 0.00 0.00 179.01 178.04 1xl0 h ALA 703 N 0.64 0.70 0.00 3.43 0.00 -1.08 -3.47 119.26 119.48 1xl0 h ALA 703 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1xl0 h ALA 703 Cb 0.80 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1xl0 h ALA 703 CO 0.06 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1xl0 n GLY 704 N 1.23 2.03 0.33 0.00 0.00 0.19 -4.62 105.19 104.35 1xl0 n GLY 704 Ca -0.01 -1.39 0.16 0.00 0.00 0.00 0.00 46.02 44.78 1xl0 n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xl0 h GLU 705 N 0.00 0.00 0.00 1.61 5.08 -1.84 -0.36 114.58 119.07 1xl0 h GLU 705 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xl0 h GLU 705 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xl0 h GLU 705 CO 0.00 0.00 0.00 0.93 -1.00 0.00 0.00 179.01 178.94 1xl0 h GLU 706 N 0.00 0.00 -0.51 2.33 3.07 -1.90 -2.32 114.58 115.26 1xl0 h GLU 706 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1xl0 h GLU 706 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1xl0 h GLU 706 CO -0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 1xl0 n ASN 707 N -2.69 4.55 -4.13 1.42 3.02 -0.15 -4.93 115.26 112.35 1xl0 n ASN 707 Ca 0.01 -2.62 -0.16 0.00 -0.03 0.00 0.00 54.58 51.78 1xl0 n ASN 707 Cb 0.24 -0.55 -0.12 0.00 -0.61 0.00 0.00 39.78 38.74 1xl0 n ASN 707 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1xl0 s PHE 708 N -2.15 0.98 -1.00 3.10 5.36 -0.87 -4.79 117.98 118.61 1xl0 s PHE 708 Ca 0.46 -0.50 -0.06 0.00 -0.96 0.00 0.00 56.93 55.87 1xl0 s PHE 708 Cb 0.32 -0.56 0.25 0.00 -0.34 0.00 0.00 43.02 42.69 1xl0 s PHE 708 CO 0.18 -0.01 0.94 -0.06 -1.46 0.00 0.00 175.22 174.82 1xl0 s PHE 709 N -1.47 4.07 0.14 10.12 0.08 -0.38 -4.94 117.98 125.61 1xl0 s PHE 709 Ca -0.04 -2.79 -0.18 0.00 0.12 0.00 0.00 56.93 54.04 1xl0 s PHE 709 Cb -0.09 -3.58 -0.07 0.00 -0.57 0.00 0.00 43.02 38.71 1xl0 s PHE 709 CO 0.01 -0.86 0.61 0.42 -0.10 0.00 0.00 175.22 175.30 1xl0 s ILE 710 N -1.19 4.71 0.30 0.64 1.09 -1.26 -1.09 121.20 124.41 1xl0 s ILE 710 Ca 0.28 1.12 -0.16 0.00 -1.10 0.00 0.00 60.65 60.80 1xl0 s ILE 710 Cb -0.09 -3.84 0.02 0.00 -1.06 0.00 0.00 42.46 37.49 1xl0 s ILE 710 CO -0.10 0.35 0.65 0.72 -0.10 0.00 0.00 174.94 176.46 1xl0 s PHE 711 N -1.35 0.15 0.01 3.97 -0.71 -0.91 -4.95 117.98 114.19 1xl0 s PHE 711 Ca 0.36 -0.61 0.00 0.00 -1.04 0.00 0.00 56.93 55.64 1xl0 s PHE 711 Cb -0.17 0.53 0.00 0.00 -1.21 0.00 0.00 43.02 42.17 1xl0 s PHE 711 CO 0.20 -1.25 0.00 0.41 -1.34 0.00 0.00 175.22 173.24 1xl0 n GLY 712 N -0.47 -1.38 3.76 1.99 0.00 -1.26 -4.25 105.19 103.57 1xl0 n GLY 712 Ca -0.04 -1.52 -0.37 0.00 0.00 0.00 0.00 46.02 44.09 1xl0 n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xl0 s MET 713 N -1.18 3.36 0.49 1.61 -1.94 -1.26 -4.90 119.30 115.48 1xl0 s MET 713 Ca 0.00 1.90 0.04 0.00 -1.71 0.00 0.00 55.69 55.92 1xl0 s MET 713 Cb 0.00 -2.22 0.02 0.00 2.01 0.00 0.00 34.83 34.65 1xl0 s MET 713 CO 0.00 -0.91 0.68 1.03 -0.01 0.00 0.00 175.02 175.81 1xl0 s ARG 714 N -2.96 2.68 0.27 2.03 1.81 -1.26 -4.49 118.95 117.03 1xl0 s ARG 714 Ca 0.70 -0.97 0.00 0.00 -1.72 0.00 0.00 55.73 53.74 1xl0 s ARG 714 Cb -0.32 -2.61 0.61 0.00 -0.45 0.00 0.00 34.95 32.18 1xl0 s ARG 714 CO 0.37 -0.51 1.72 0.28 -0.68 0.00 0.00 175.30 176.48 1xl0 h VAL 715 N 0.33 0.57 -0.82 3.52 2.07 -1.83 -0.10 116.25 119.97 1xl0 h VAL 715 Ca -0.41 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 66.96 1xl0 h VAL 715 Cb 1.29 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1xl0 h VAL 715 CO 0.49 0.08 0.54 -0.33 0.02 0.00 0.00 177.57 178.37 1xl0 h GLU 716 N 0.44 1.09 -0.48 1.57 3.07 -1.95 -1.94 114.58 116.39 1xl0 h GLU 716 Ca 0.50 -0.07 -0.11 0.00 -0.50 0.00 0.00 59.36 59.18 1xl0 h GLU 716 Cb 0.86 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 28.51 1xl0 h GLU 716 CO -0.47 0.73 -0.13 -0.44 -1.40 0.00 0.00 179.01 177.31 1xl0 h ASP 717 N 1.12 0.89 -0.47 1.42 5.19 -1.40 -1.11 116.42 122.06 1xl0 h ASP 717 Ca 0.30 -0.29 -0.02 0.00 -0.62 0.00 0.00 57.03 56.40 1xl0 h ASP 717 Cb -0.11 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.13 1xl0 h ASP 717 CO -0.06 1.02 0.20 0.58 -3.12 0.00 0.00 179.24 177.86 1xl0 h VAL 718 N 0.79 1.20 -0.60 -1.35 2.07 -0.78 -1.09 116.25 116.48 1xl0 h VAL 718 Ca 0.13 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1xl0 h VAL 718 Cb 0.65 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1xl0 h VAL 718 CO 0.05 0.22 0.30 0.44 0.02 0.00 0.00 177.57 178.60 1xl0 h ASP 719 N 0.61 0.78 -0.62 0.57 3.32 -1.15 -0.90 116.42 119.03 1xl0 h ASP 719 Ca 0.16 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.12 1xl0 h ASP 719 Cb 0.16 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 1xl0 h ASP 719 CO -0.02 0.69 0.36 0.03 -1.72 0.00 0.00 179.24 178.58 1xl0 h ARG 720 N 0.83 0.68 -0.60 3.56 3.08 -0.89 -0.52 114.38 120.52 1xl0 h ARG 720 Ca 0.21 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 1xl0 h ARG 720 Cb 0.10 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1xl0 h ARG 720 CO -0.03 0.45 0.14 -0.07 -1.07 0.00 0.00 179.97 179.39 1xl0 h LEU 721 N 0.70 0.87 -0.54 3.04 3.38 -0.77 -2.22 115.31 119.77 1xl0 h LEU 721 Ca 0.26 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1xl0 h LEU 721 Cb 0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1xl0 h LEU 721 CO -0.13 0.85 -0.31 0.44 0.09 0.00 0.00 178.44 179.38 1xl0 h ASP 722 N 0.89 0.89 -0.69 -0.43 3.32 -0.45 0.51 116.42 120.46 1xl0 h ASP 722 Ca 0.19 -0.36 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 1xl0 h ASP 722 Cb 0.33 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1xl0 h ASP 722 CO 0.00 1.12 0.23 1.56 -1.72 0.00 0.00 179.24 180.43 1xl0 h GLN 723 N 0.72 1.08 0.08 3.56 4.20 -0.89 -2.85 115.11 121.01 1xl0 h GLN 723 Ca 0.08 -0.22 -0.25 0.00 0.06 0.00 0.00 58.65 58.32 1xl0 h GLN 723 Cb 0.86 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 1xl0 h GLN 723 CO 0.08 0.92 -1.12 -0.09 -0.67 0.00 0.00 178.83 177.94 1xl0 h ARG 724 N 1.04 0.25 0.00 1.46 2.43 -1.27 -3.50 114.38 114.80 1xl0 h ARG 724 Ca 0.23 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1xl0 h ARG 724 Cb 0.28 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1xl0 h ARG 724 CO -0.01 1.14 0.00 0.41 -1.51 0.00 0.00 179.97 180.00 1xl0 n GLY 725 N 1.33 1.93 3.66 2.80 0.00 0.18 -5.03 105.19 110.06 1xl0 n GLY 725 Ca -0.07 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 1xl0 n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xl0 s TYR 726 N 0.00 3.14 -0.35 1.61 5.04 -1.19 -4.89 117.35 120.71 1xl0 s TYR 726 Ca 0.00 1.28 0.03 0.00 -2.44 0.00 0.00 57.07 55.94 1xl0 s TYR 726 Cb 0.00 -3.36 0.10 0.00 0.35 0.00 0.00 41.96 39.05 1xl0 s TYR 726 CO 0.00 -0.97 0.08 1.21 -1.34 0.00 0.00 175.55 174.53 1xl0 s ASN 727 N 1.51 4.53 0.46 4.32 3.84 -1.26 -4.98 114.94 123.37 1xl0 s ASN 727 Ca 0.48 -2.12 0.13 0.00 0.21 0.00 0.00 52.86 51.56 1xl0 s ASN 727 Cb -0.18 -1.44 1.08 0.00 -0.55 0.00 0.00 41.25 40.17 1xl0 s ASN 727 CO 0.09 -0.37 2.08 0.00 -2.79 0.00 0.00 177.10 176.11 1xl0 h ALA 728 N 7.60 1.93 -0.96 1.71 0.00 -1.87 -2.54 119.26 125.14 1xl0 h ALA 728 Ca -0.06 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.00 1xl0 h ALA 728 Cb 1.01 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 1xl0 h ALA 728 CO 0.52 0.03 0.61 0.37 0.00 0.00 0.00 179.25 180.77 1xl0 h GLN 729 N 0.28 0.72 -0.50 0.00 5.75 -1.92 -1.63 115.11 117.81 1xl0 h GLN 729 Ca 0.12 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.64 1xl0 h GLN 729 Cb 0.15 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.48 1xl0 h GLN 729 CO -0.03 0.47 0.20 1.49 -2.65 0.00 0.00 178.83 178.32 1xl0 h GLU 730 N 0.74 0.39 -0.47 1.69 4.81 -1.87 0.93 114.58 120.79 1xl0 h GLU 730 Ca 0.51 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.60 1xl0 h GLU 730 Cb 0.81 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1xl0 h GLU 730 CO -0.28 0.26 -0.18 1.88 -0.73 0.00 0.00 179.01 179.96 1xl0 h TYR 731 N 0.40 1.04 -0.87 0.92 -1.99 -1.47 -2.03 116.97 112.97 1xl0 h TYR 731 Ca 0.24 -0.23 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 1xl0 h TYR 731 Cb 0.22 -0.25 -0.04 0.00 2.00 0.00 0.00 36.73 38.66 1xl0 h TYR 731 CO -0.14 1.02 0.51 -0.92 -0.00 0.00 0.00 178.16 178.62 1xl0 h TYR 732 N 0.80 1.16 -0.00 4.88 5.03 -0.92 -1.11 116.97 126.82 1xl0 h TYR 732 Ca 0.11 -0.01 -0.15 0.00 2.58 0.00 0.00 58.73 61.26 1xl0 h TYR 732 Cb 0.73 -0.38 -0.02 0.00 1.55 0.00 0.00 36.73 38.61 1xl0 h TYR 732 CO 0.04 0.78 -0.73 -0.44 -1.32 0.00 0.00 178.16 176.49 1xl0 h ASP 733 N 1.20 0.00 0.06 -2.11 3.32 -0.59 -3.32 116.42 114.98 1xl0 h ASP 733 Ca 0.31 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1xl0 h ASP 733 Cb -0.02 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1xl0 h ASP 733 CO -0.06 0.73 -0.67 0.54 -1.72 0.00 0.00 179.24 178.06 1xl0 n ARG 734 N -3.67 0.56 -3.91 3.56 1.74 -0.79 -4.79 116.66 109.36 1xl0 n ARG 734 Ca -0.01 -0.44 -0.30 0.00 -0.77 0.00 0.00 57.85 56.33 1xl0 n ARG 734 Cb 0.71 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 30.51 1xl0 n ARG 734 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xl0 s ILE 735 N -2.75 1.90 0.22 0.55 1.01 -0.45 -5.01 121.20 116.68 1xl0 s ILE 735 Ca 0.14 -2.26 -0.10 0.00 0.00 0.00 0.00 60.65 58.43 1xl0 s ILE 735 Cb 0.17 -2.39 0.20 0.00 0.01 0.00 0.00 42.46 40.45 1xl0 s ILE 735 CO 0.70 -0.67 1.67 -0.65 0.00 0.00 0.00 174.94 176.00 1xl0 h PRO 736 N 7.51 0.16 -0.50 2.79 0.11 -1.87 -0.78 132.00 139.42 1xl0 h PRO 736 Ca -0.07 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 1xl0 h PRO 736 Cb 0.99 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 1xl0 h PRO 736 CO 0.53 0.10 0.19 0.93 -0.21 0.00 0.00 178.00 179.54 1xl0 h GLU 737 N 0.16 0.72 -0.20 1.05 5.08 -1.95 -0.28 114.58 119.16 1xl0 h GLU 737 Ca 0.34 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.52 1xl0 h GLU 737 Cb 0.54 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1xl0 h GLU 737 CO -0.51 0.60 -0.17 1.25 -1.00 0.00 0.00 179.01 179.19 1xl0 h LEU 738 N 0.71 0.49 -0.73 1.33 5.85 -1.64 -2.71 115.31 118.61 1xl0 h LEU 738 Ca 0.17 -0.46 0.07 0.00 0.84 0.00 0.00 57.88 58.50 1xl0 h LEU 738 Cb 0.15 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 1xl0 h LEU 738 CO -0.02 0.85 0.41 -0.09 -0.34 0.00 0.00 178.44 179.25 1xl0 h ARG 739 N 0.14 0.72 -0.82 1.25 2.43 -0.73 -1.64 114.38 115.72 1xl0 h ARG 739 Ca 0.04 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1xl0 h ARG 739 Cb 0.70 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 1xl0 h ARG 739 CO 0.04 0.48 0.54 0.37 -1.51 0.00 0.00 179.97 179.89 1xl0 h GLN 740 N 0.74 1.09 -0.21 0.20 4.15 -0.97 -1.25 115.11 118.86 1xl0 h GLN 740 Ca 0.33 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.67 1xl0 h GLN 740 Cb 0.24 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1xl0 h GLN 740 CO -0.20 0.73 0.07 0.82 -1.93 0.00 0.00 178.83 178.32 1xl0 h ILE 741 N 1.12 1.18 -0.87 2.39 2.04 -1.01 -0.88 117.51 121.48 1xl0 h ILE 741 Ca 0.30 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1xl0 h ILE 741 Cb -0.12 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1xl0 h ILE 741 CO -0.06 0.18 0.54 0.40 0.00 0.00 0.00 178.15 179.21 1xl0 h ILE 742 N 0.17 1.24 -0.24 -0.67 1.08 -1.10 -1.17 117.51 116.82 1xl0 h ILE 742 Ca 0.07 -0.50 -0.08 0.00 -0.39 0.00 0.00 64.86 63.95 1xl0 h ILE 742 Cb 0.22 -0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.95 1xl0 h ILE 742 CO -0.00 0.25 -0.20 -0.33 -0.69 0.00 0.00 178.15 177.17 1xl0 h GLU 743 N 1.20 0.42 -0.44 2.37 5.08 -1.03 -0.35 114.58 121.83 1xl0 h GLU 743 Ca 0.32 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1xl0 h GLU 743 Cb -0.07 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1xl0 h GLU 743 CO -0.06 0.61 -0.07 1.96 -1.00 0.00 0.00 179.01 180.45 1xl0 h GLN 744 N 0.38 0.81 -0.21 2.33 4.20 -0.34 -0.76 115.11 121.52 1xl0 h GLN 744 Ca 0.06 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.46 1xl0 h GLN 744 Cb 0.57 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1xl0 h GLN 744 CO 0.04 0.91 0.07 -0.07 -0.67 0.00 0.00 178.83 179.11 1xl0 h LEU 745 N 0.65 0.31 -0.72 1.46 3.38 -0.89 -1.00 115.31 118.49 1xl0 h LEU 745 Ca 0.12 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1xl0 h LEU 745 Cb 0.59 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1xl0 h LEU 745 CO 0.04 0.43 0.11 0.28 0.09 0.00 0.00 178.44 179.38 1xl0 h SER 746 N 0.18 1.04 1.13 -0.43 0.02 -1.01 -3.05 113.55 111.43 1xl0 h SER 746 Ca 0.07 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1xl0 h SER 746 Cb 0.23 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1xl0 h SER 746 CO -0.00 1.03 0.00 -1.54 -1.14 0.00 0.00 176.83 175.18 1xl0 n SER 747 N -4.21 0.60 0.00 3.07 3.41 -0.30 -4.64 113.62 111.54 1xl0 n SER 747 Ca 0.04 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1xl0 n SER 747 Cb 0.29 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 1xl0 n SER 747 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xl0 n GLY 748 N 0.88 0.92 0.38 5.00 0.00 -1.05 -4.82 105.19 106.50 1xl0 n GLY 748 Ca 0.05 -0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.14 1xl0 n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xl0 h PHE 749 N 0.00 0.51 -0.48 1.61 3.04 -1.43 0.57 116.94 120.76 1xl0 h PHE 749 Ca 0.00 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1xl0 h PHE 749 Cb 0.00 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.35 1xl0 h PHE 749 CO 0.00 0.20 0.00 1.19 -2.02 0.00 0.00 178.31 177.68 1xl0 n PHE 750 N -4.48 0.62 -2.86 0.41 3.72 -1.26 -4.55 117.46 109.05 1xl0 n PHE 750 Ca 0.14 -0.31 -0.12 0.00 -0.05 0.00 0.00 57.45 57.11 1xl0 n PHE 750 Cb 0.51 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.08 1xl0 n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1xl0 n SER 751 N 1.54 -1.97 -0.15 4.37 3.41 0.13 -4.79 113.62 116.16 1xl0 n SER 751 Ca 0.21 -3.22 -0.07 0.00 -0.26 0.00 0.00 58.87 55.53 1xl0 n SER 751 Cb 0.61 1.19 -0.01 0.00 -0.26 0.00 0.00 64.21 65.74 1xl0 n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1xl0 h PRO 752 N 3.81 -0.22 0.00 4.33 0.11 -1.63 -1.48 132.00 136.92 1xl0 h PRO 752 Ca -0.08 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.99 1xl0 h PRO 752 Cb 1.00 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1xl0 h PRO 752 CO 0.34 -0.15 -0.23 0.87 -0.21 0.00 0.00 178.00 178.62 1xl0 h LYS 753 N -0.23 0.00 -2.47 1.05 1.57 -1.96 -3.32 116.57 111.21 1xl0 h LYS 753 Ca 0.19 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.37 1xl0 h LYS 753 Cb 0.54 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.45 1xl0 h LYS 753 CO -0.59 0.23 -0.80 1.04 -0.57 0.00 0.00 179.45 178.77 1xl0 n GLN 754 N -3.81 1.31 -0.35 3.15 6.02 -0.63 -5.00 117.38 118.07 1xl0 n GLN 754 Ca -0.02 -3.91 0.25 0.00 -0.01 0.00 0.00 57.00 53.31 1xl0 n GLN 754 Cb 0.33 -1.90 0.51 0.00 1.02 0.00 0.00 30.24 30.20 1xl0 n GLN 754 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1xl0 h PRO 755 N 4.91 0.32 -0.56 -1.09 0.11 -1.47 -1.03 132.00 133.19 1xl0 h PRO 755 Ca 0.18 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.19 1xl0 h PRO 755 Cb 0.80 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 31.79 1xl0 h PRO 755 CO 0.60 0.21 0.09 -0.40 -0.21 0.00 0.00 178.00 178.29 1xl0 n ASP 756 N -4.83 4.99 -0.26 -2.05 3.85 -1.26 -3.08 116.55 113.90 1xl0 n ASP 756 Ca 0.30 -3.08 0.09 0.00 -0.71 0.00 0.00 54.79 51.39 1xl0 n ASP 756 Cb 1.01 -0.68 0.34 0.00 -1.35 0.00 0.00 41.12 40.44 1xl0 n ASP 756 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1xl0 h LEU 757 N 3.04 0.72 -3.67 -2.12 5.85 -1.51 -2.46 115.31 115.16 1xl0 h LEU 757 Ca 0.10 0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.64 1xl0 h LEU 757 Cb 1.99 -0.12 -0.12 0.00 0.37 0.00 0.00 40.66 42.78 1xl0 h LEU 757 CO 0.52 0.41 0.23 0.49 -0.34 0.00 0.00 178.44 179.75 1xl0 n PHE 758 N -4.53 2.20 -0.23 1.25 3.01 -1.26 -4.59 117.46 113.31 1xl0 n PHE 758 Ca 0.15 -1.23 0.00 0.00 1.01 0.00 0.00 57.45 57.38 1xl0 n PHE 758 Cb 0.36 -0.64 0.23 0.00 -0.01 0.00 0.00 39.48 39.41 1xl0 n PHE 758 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1xl0 h LYS 759 N 2.37 1.03 -0.58 -1.08 2.10 -1.76 -1.90 116.57 116.74 1xl0 h LYS 759 Ca 0.25 -0.07 -0.06 0.00 -2.00 0.00 0.00 60.65 58.77 1xl0 h LYS 759 Cb 2.21 -0.23 -0.03 0.00 -0.90 0.00 0.00 32.23 33.28 1xl0 h LYS 759 CO 0.67 0.69 0.10 -0.44 -2.00 0.00 0.00 179.45 178.47 1xl0 h ASP 760 N 1.06 0.88 -0.07 7.07 3.32 -1.84 -0.12 116.42 126.72 1xl0 h ASP 760 Ca 0.28 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1xl0 h ASP 760 Cb -0.11 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.20 1xl0 h ASP 760 CO -0.06 0.88 0.00 0.40 -1.72 0.00 0.00 179.24 178.75 1xl0 h ILE 761 N 0.88 1.24 -0.58 0.35 2.04 -1.71 -1.47 117.51 118.25 1xl0 h ILE 761 Ca 0.18 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 1xl0 h ILE 761 Cb 0.38 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 1xl0 h ILE 761 CO 0.01 0.20 0.32 0.58 0.00 0.00 0.00 178.15 179.26 1xl0 h VAL 762 N -0.15 1.19 -0.71 1.67 2.07 -1.22 -0.75 116.25 118.35 1xl0 h VAL 762 Ca 0.02 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1xl0 h VAL 762 Cb 0.32 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1xl0 h VAL 762 CO 0.00 0.21 0.39 -1.13 0.02 0.00 0.00 177.57 177.06 1xl0 h ASN 763 N 0.79 0.90 0.01 0.57 -1.24 -0.97 0.57 115.58 116.20 1xl0 h ASN 763 Ca 0.21 -0.10 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 1xl0 h ASN 763 Cb 0.05 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 38.88 1xl0 h ASN 763 CO -0.03 0.74 -0.01 -0.03 -1.29 0.00 0.00 177.43 176.81 1xl0 h MET 764 N 0.98 -0.01 -0.87 6.67 4.05 -0.95 0.16 114.93 124.96 1xl0 h MET 764 Ca 0.25 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.74 1xl0 h MET 764 Cb 0.04 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 30.78 1xl0 h MET 764 CO -0.04 0.20 0.53 -0.07 0.23 0.00 0.00 176.91 177.76 1xl0 h LEU 765 N -0.22 0.82 0.03 3.39 4.07 -0.88 -0.40 115.31 122.12 1xl0 h LEU 765 Ca -0.00 0.03 -0.24 0.00 0.08 0.00 0.00 57.88 57.74 1xl0 h LEU 765 Cb 0.22 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.79 1xl0 h LEU 765 CO 0.00 0.51 -1.20 0.24 -1.08 0.00 0.00 178.44 176.91 1xl0 h MET 766 N 0.94 0.06 0.00 1.13 2.86 -0.75 -3.41 114.93 115.76 1xl0 h MET 766 Ca 0.39 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1xl0 h MET 766 Cb 0.23 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1xl0 h MET 766 CO -0.19 0.96 -0.97 0.72 1.06 0.00 0.00 176.91 178.49 1xl0 n HIS 767 N -3.34 0.00 -2.91 -0.22 8.25 0.55 -4.41 115.22 113.14 1xl0 n HIS 767 Ca -0.05 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.28 1xl0 n HIS 767 Cb 0.98 0.00 0.04 0.00 1.12 0.00 0.00 29.99 32.13 1xl0 n HIS 767 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1xl0 n HIS 768 N -1.62 -1.09 -3.09 4.41 -0.00 -0.26 -5.04 115.22 108.53 1xl0 n HIS 768 Ca 0.00 -2.88 -0.44 0.00 -0.00 0.00 0.00 57.72 54.40 1xl0 n HIS 768 Cb 0.17 0.55 -0.05 0.00 -0.00 0.00 0.00 29.99 30.66 1xl0 n HIS 768 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1xl0 s ASP 769 N -1.96 6.20 0.30 4.39 2.15 -0.62 -4.82 116.67 122.30 1xl0 s ASP 769 Ca 0.30 -1.16 0.24 0.00 0.43 0.00 0.00 52.55 52.36 1xl0 s ASP 769 Cb 0.35 -2.31 1.07 0.00 -0.30 0.00 0.00 42.92 41.72 1xl0 s ASP 769 CO -0.06 -1.08 1.74 0.03 -0.17 0.00 0.00 175.17 175.64 1xl0 h ARG 770 N 9.16 0.00 -0.33 4.34 3.08 -1.97 -3.15 114.38 125.52 1xl0 h ARG 770 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1xl0 h ARG 770 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1xl0 h ARG 770 CO 1.06 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 181.15 1xl0 n PHE 771 N -2.33 0.74 -4.08 3.04 3.72 -1.26 -5.02 117.46 112.27 1xl0 n PHE 771 Ca 0.01 -0.66 -0.35 0.00 -0.05 0.00 0.00 57.45 56.40 1xl0 n PHE 771 Cb 0.20 -0.16 -0.03 0.00 -0.94 0.00 0.00 39.48 38.56 1xl0 n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1xl0 n LYS 772 N 0.13 -1.27 -0.06 -1.08 5.02 -1.19 -4.76 118.16 114.96 1xl0 n LYS 772 Ca 0.17 0.20 -0.08 0.00 -2.02 0.00 0.00 58.31 56.58 1xl0 n LYS 772 Cb 0.65 -3.53 -0.02 0.00 -0.02 0.00 0.00 35.03 32.12 1xl0 n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xl0 h VAL 773 N -2.09 0.86 -0.71 -0.18 2.07 -1.93 -2.60 116.25 111.67 1xl0 h VAL 773 Ca -0.67 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 66.82 1xl0 h VAL 773 Cb 1.39 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 1xl0 h VAL 773 CO 0.60 0.02 0.47 -0.26 0.02 0.00 0.00 177.57 178.42 1xl0 h PHE 774 N 0.11 0.89 -0.30 1.57 0.05 -1.91 -2.77 116.94 114.58 1xl0 h PHE 774 Ca 0.11 0.02 0.09 0.00 3.82 0.00 0.00 57.97 62.01 1xl0 h PHE 774 Cb 0.13 -0.30 -0.01 0.00 2.00 0.00 0.00 35.95 37.76 1xl0 h PHE 774 CO -0.17 0.56 0.22 0.00 -0.18 0.00 0.00 178.31 178.73 1xl0 h ALA 775 N 1.56 2.28 -0.12 2.45 0.00 -1.84 -1.97 119.26 121.62 1xl0 h ALA 775 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1xl0 h ALA 775 Cb -0.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1xl0 h ALA 775 CO -0.06 -0.37 0.00 -0.25 0.00 0.00 0.00 179.25 178.57 1xl0 n ASP 776 N -4.45 2.68 0.22 0.00 8.00 -1.06 -4.69 116.55 117.25 1xl0 n ASP 776 Ca 0.04 -1.79 -0.15 0.00 0.71 0.00 0.00 54.79 53.60 1xl0 n ASP 776 Cb 0.38 -0.07 -0.07 0.00 -0.02 0.00 0.00 41.12 41.33 1xl0 n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1xl0 h TYR 777 N 3.44 -0.88 -0.03 1.24 5.03 -1.20 -1.18 116.97 123.39 1xl0 h TYR 777 Ca 0.00 0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.34 1xl0 h TYR 777 Cb 0.77 0.34 -0.03 0.00 1.55 0.00 0.00 36.73 39.35 1xl0 h TYR 777 CO 0.07 -0.47 -0.14 0.93 -1.32 0.00 0.00 178.16 177.24 1xl0 h GLU 778 N -0.70 -0.21 -0.31 1.82 5.08 -1.84 -1.02 114.58 117.41 1xl0 h GLU 778 Ca -0.02 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1xl0 h GLU 778 Cb 0.62 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1xl0 h GLU 778 CO -0.05 -0.14 0.02 1.49 -1.00 0.00 0.00 179.01 179.33 1xl0 h GLU 779 N -0.22 0.47 0.05 2.33 4.81 -1.87 -1.80 114.58 118.35 1xl0 h GLU 779 Ca 0.06 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1xl0 h GLU 779 Cb 0.29 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1xl0 h GLU 779 CO -0.16 0.48 -0.02 -0.92 -0.73 0.00 0.00 179.01 177.66 1xl0 h TYR 780 N 0.45 -0.06 -0.67 0.92 3.20 -0.71 -0.34 116.97 119.75 1xl0 h TYR 780 Ca 0.10 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.99 1xl0 h TYR 780 Cb 0.27 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 1xl0 h TYR 780 CO 0.01 0.19 0.43 0.28 -1.64 0.00 0.00 178.16 177.42 1xl0 h VAL 781 N -0.31 1.12 -0.47 1.81 2.07 -1.01 0.31 116.25 119.77 1xl0 h VAL 781 Ca -0.01 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1xl0 h VAL 781 Cb 0.28 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1xl0 h VAL 781 CO 0.01 0.16 0.27 0.50 0.02 0.00 0.00 177.57 178.53 1xl0 h LYS 782 N 0.85 0.65 -0.70 1.57 1.63 -1.24 -2.17 116.57 117.17 1xl0 h LYS 782 Ca 0.26 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.96 1xl0 h LYS 782 Cb -0.03 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.44 1xl0 h LYS 782 CO -0.09 0.50 0.30 0.00 -3.45 0.00 0.00 179.45 176.71 1xl0 h GLN 784 N 0.98 0.00 -0.33 0.00 1.08 -0.57 -1.14 115.11 115.13 1xl0 h GLN 784 Ca 0.23 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.29 1xl0 h GLN 784 Cb 0.18 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1xl0 h GLN 784 CO -0.02 0.04 -0.37 0.93 -0.95 0.00 0.00 178.83 178.46 1xl0 h GLU 785 N 0.00 0.75 0.00 1.46 5.08 -0.72 -2.22 114.58 118.94 1xl0 h GLU 785 Ca -0.00 -0.38 -0.09 0.00 -1.00 0.00 0.00 59.36 57.89 1xl0 h GLU 785 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1xl0 h GLU 785 CO 0.01 1.00 -0.42 0.00 -1.00 0.00 0.00 179.01 178.59 1xl0 h ARG 786 N 0.63 0.00 -0.08 2.33 3.08 -1.04 -0.86 114.38 118.43 1xl0 h ARG 786 Ca 0.06 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1xl0 h ARG 786 Cb 0.91 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 1xl0 h ARG 786 CO 0.08 0.42 -0.02 0.28 -1.07 0.00 0.00 179.97 179.67 1xl0 h VAL 787 N 0.00 1.29 -0.46 2.04 2.07 -1.03 -2.24 116.25 117.92 1xl0 h VAL 787 Ca -0.00 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 1xl0 h VAL 787 Cb 0.80 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 1xl0 h VAL 787 CO 0.05 0.26 0.14 0.28 0.02 0.00 0.00 177.57 178.33 1xl0 h SER 788 N -0.17 0.61 -0.38 0.57 0.02 -1.07 -1.30 113.55 111.82 1xl0 h SER 788 Ca 0.02 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 1xl0 h SER 788 Cb 0.42 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1xl0 h SER 788 CO 0.01 0.58 0.17 0.00 -1.14 0.00 0.00 176.83 176.45 1xl0 h ALA 789 N 1.51 0.50 -0.18 3.77 0.00 -1.04 -2.83 119.26 120.99 1xl0 h ALA 789 Ca 0.15 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1xl0 h ALA 789 Cb 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1xl0 h ALA 789 CO -0.01 0.08 -0.39 1.25 0.00 0.00 0.00 179.25 180.18 1xl0 h LEU 790 N 0.48 0.42 -1.81 0.00 6.46 -0.94 -2.91 115.31 117.01 1xl0 h LEU 790 Ca 0.13 -0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 57.68 1xl0 h LEU 790 Cb 0.15 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1xl0 h LEU 790 CO -0.01 0.77 -0.15 0.22 -0.62 0.00 0.00 178.44 178.65 1xl0 h TYR 791 N 0.33 0.00 0.00 1.25 3.20 -1.05 -1.31 116.97 119.40 1xl0 h TYR 791 Ca 0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1xl0 h TYR 791 Cb 0.84 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.11 1xl0 h TYR 791 CO 0.02 0.15 0.00 1.63 -1.64 0.00 0.00 178.16 178.32 1xl0 n LYS 792 N -3.88 0.09 -3.81 1.82 5.02 -1.09 -3.72 118.16 112.59 1xl0 n LYS 792 Ca -0.02 0.36 -0.29 0.00 -2.02 0.00 0.00 58.31 56.33 1xl0 n LYS 792 Cb 0.25 -1.68 -0.11 0.00 -0.02 0.00 0.00 35.03 33.47 1xl0 n LYS 792 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1xl0 n ASN 793 N -1.84 3.34 -0.34 4.39 2.85 -0.49 -4.98 115.26 118.18 1xl0 n ASN 793 Ca 0.02 -3.23 0.06 0.00 -0.11 0.00 0.00 54.58 51.33 1xl0 n ASN 793 Cb 0.18 -0.81 0.14 0.00 1.24 0.00 0.00 39.78 40.53 1xl0 n ASN 793 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1xl0 n PRO 794 N 1.90 -0.09 -0.09 1.20 -0.02 -1.24 -1.36 135.00 135.30 1xl0 n PRO 794 Ca 0.21 1.49 -0.09 0.00 -2.02 0.00 0.00 63.50 63.09 1xl0 n PRO 794 Cb 0.36 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 1xl0 n PRO 794 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1xl0 h ARG 795 N 0.00 0.41 -0.00 -0.52 2.43 -1.93 -1.25 114.38 113.52 1xl0 h ARG 795 Ca 0.46 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.46 1xl0 h ARG 795 Cb 0.71 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1xl0 h ARG 795 CO -0.99 0.32 -0.65 0.93 -1.51 0.00 0.00 179.97 178.07 1xl0 h GLU 796 N 0.39 0.01 -0.30 0.20 4.39 -1.61 -1.65 114.58 116.01 1xl0 h GLU 796 Ca 0.11 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 1xl0 h GLU 796 Cb 0.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1xl0 h GLU 796 CO -0.02 0.66 0.05 2.35 -1.16 0.00 0.00 179.01 180.90 1xl0 h TRP 797 N 0.01 0.53 -0.36 4.33 2.91 -1.01 -1.91 115.95 120.45 1xl0 h TRP 797 Ca -0.01 -0.07 -0.08 0.00 1.13 0.00 0.00 58.89 59.86 1xl0 h TRP 797 Cb 1.16 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 29.65 1xl0 h TRP 797 CO 0.00 0.58 -0.13 1.15 -1.03 0.00 0.00 178.44 179.02 1xl0 h THR 798 N 0.33 1.25 -0.39 2.65 2.02 -1.11 -1.02 112.91 116.64 1xl0 h THR 798 Ca 0.09 -1.12 -0.08 0.00 0.77 0.00 0.00 66.41 66.07 1xl0 h THR 798 Cb 0.33 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1xl0 h THR 798 CO 0.00 0.37 -0.11 0.03 0.37 0.00 0.00 175.52 176.19 1xl0 h ARG 799 N 0.58 0.68 -0.23 6.66 3.08 -1.11 0.58 114.38 124.63 1xl0 h ARG 799 Ca 0.10 -0.21 -0.14 0.00 0.07 0.00 0.00 59.98 59.80 1xl0 h ARG 799 Cb 0.56 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1xl0 h ARG 799 CO 0.03 0.77 -0.45 1.98 -1.07 0.00 0.00 179.97 181.24 1xl0 h MET 800 N 0.62 0.57 -0.33 0.04 4.05 -0.93 -2.11 114.93 116.83 1xl0 h MET 800 Ca 0.11 -0.31 0.00 0.00 -0.28 0.00 0.00 59.70 59.22 1xl0 h MET 800 Cb 0.55 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 1xl0 h MET 800 CO 0.03 0.90 0.21 0.28 0.23 0.00 0.00 176.91 178.56 1xl0 h VAL 801 N 0.46 1.10 -0.89 -5.77 2.07 -0.44 -1.82 116.25 110.96 1xl0 h VAL 801 Ca 0.03 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.37 1xl0 h VAL 801 Cb 0.96 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 1xl0 h VAL 801 CO 0.09 0.10 0.58 0.40 0.02 0.00 0.00 177.57 178.76 1xl0 h ILE 802 N 0.43 1.14 0.00 4.57 2.04 -0.64 0.08 117.51 125.12 1xl0 h ILE 802 Ca 0.12 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 1xl0 h ILE 802 Cb -0.01 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.00 1xl0 h ILE 802 CO -0.02 0.20 -0.24 0.03 0.00 0.00 0.00 178.15 178.12 1xl0 h ARG 803 N 1.10 0.00 0.02 2.37 3.08 -0.76 -0.68 114.38 119.51 1xl0 h ARG 803 Ca 0.36 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.41 1xl0 h ARG 803 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1xl0 h ARG 803 CO -0.11 0.24 -0.01 -0.91 -1.07 0.00 0.00 179.97 178.10 1xl0 h ASN 804 N 0.00 -0.03 -0.71 7.04 2.35 -0.24 -3.13 115.58 120.87 1xl0 h ASN 804 Ca -0.00 -0.71 0.05 0.00 -0.55 0.00 0.00 56.30 55.09 1xl0 h ASN 804 Cb 0.44 0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.77 1xl0 h ASN 804 CO 0.03 0.74 0.42 0.40 -1.65 0.00 0.00 177.43 177.37 1xl0 h ILE 805 N -0.84 1.01 0.00 2.81 2.04 -1.05 -1.97 117.51 119.51 1xl0 h ILE 805 Ca -0.00 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1xl0 h ILE 805 Cb 0.74 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1xl0 h ILE 805 CO 0.01 0.14 -0.07 0.00 0.00 0.00 0.00 178.15 178.23 1xl0 h ALA 806 N 1.35 1.50 -0.29 1.87 0.00 -1.22 -2.76 119.26 119.71 1xl0 h ALA 806 Ca 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1xl0 h ALA 806 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1xl0 h ALA 806 CO -0.16 0.08 0.00 0.25 0.00 0.00 0.00 179.25 179.42 1xl0 n THR 807 N -3.89 2.25 1.36 0.00 -2.24 -0.78 -1.97 114.28 109.01 1xl0 n THR 807 Ca -0.02 -1.81 0.13 0.00 -2.27 0.00 0.00 64.05 60.08 1xl0 n THR 807 Cb 0.16 -0.22 0.46 0.00 -2.10 0.00 0.00 70.33 68.63 1xl0 n THR 807 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1xl0 n SER 808 N -0.38 1.07 -0.31 3.42 3.41 -0.98 -4.39 113.62 115.45 1xl0 n SER 808 Ca 0.21 -1.03 0.13 0.00 -0.26 0.00 0.00 58.87 57.93 1xl0 n SER 808 Cb 0.89 0.07 0.32 0.00 -0.26 0.00 0.00 64.21 65.22 1xl0 n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1xl0 h GLY 809 N 4.91 1.60 1.64 5.00 0.00 -1.79 -0.92 103.07 113.51 1xl0 h GLY 809 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 47.33 47.15 1xl0 h GLY 809 CO 0.00 -0.24 0.15 1.70 0.00 0.00 0.00 176.54 178.15 1xl0 h LYS 810 N 0.46 0.00 -0.79 4.80 3.64 -1.88 -2.64 116.57 120.15 1xl0 h LYS 810 Ca 0.57 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.95 1xl0 h LYS 810 Cb 1.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1xl0 h LYS 810 CO -0.50 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 177.87 1xl0 n PHE 811 N -3.66 0.94 -2.90 1.91 3.01 -0.35 -4.75 117.46 111.67 1xl0 n PHE 811 Ca -0.00 -0.33 -0.40 0.00 1.01 0.00 0.00 57.45 57.73 1xl0 n PHE 811 Cb 0.25 -0.28 -0.05 0.00 -0.01 0.00 0.00 39.48 39.39 1xl0 n PHE 811 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1xl0 s SER 812 N -0.38 7.37 0.00 4.37 0.15 -1.00 -0.81 113.70 123.40 1xl0 s SER 812 Ca 0.25 1.63 0.10 0.00 0.70 0.00 0.00 55.95 58.63 1xl0 s SER 812 Cb 0.19 -2.52 0.44 0.00 -1.71 0.00 0.00 66.02 62.42 1xl0 s SER 812 CO 0.08 0.06 1.30 -1.54 1.20 0.00 0.00 173.24 174.33 1xl0 n SER 813 N 2.38 0.00 -0.09 5.45 3.41 -0.24 -1.49 113.62 123.03 1xl0 n SER 813 Ca -0.02 0.43 -0.12 0.00 -0.26 0.00 0.00 58.87 58.90 1xl0 n SER 813 Cb 0.49 -0.46 0.01 0.00 -0.26 0.00 0.00 64.21 63.99 1xl0 n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1xl0 h ASP 814 N 0.00 0.90 -0.25 4.04 3.32 -1.91 0.62 116.42 123.13 1xl0 h ASP 814 Ca 0.00 -0.41 -0.05 0.00 0.02 0.00 0.00 57.03 56.58 1xl0 h ASP 814 Cb 0.16 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1xl0 h ASP 814 CO 0.00 1.18 -0.05 -0.09 -1.72 0.00 0.00 179.24 178.56 1xl0 h ARG 815 N 0.68 0.47 -0.09 3.56 1.12 -1.58 -1.13 114.38 117.41 1xl0 h ARG 815 Ca 0.05 -0.18 0.02 0.00 -1.11 0.00 0.00 59.98 58.77 1xl0 h ARG 815 Cb 0.97 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.88 1xl0 h ARG 815 CO 0.09 0.69 -0.05 1.15 -3.11 0.00 0.00 179.97 178.75 1xl0 h THR 816 N 0.22 0.85 -0.57 0.20 2.02 -1.34 -2.10 112.91 112.19 1xl0 h THR 816 Ca 0.06 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.18 1xl0 h THR 816 Cb 0.51 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1xl0 h THR 816 CO 0.02 0.00 0.09 0.40 0.37 0.00 0.00 175.52 176.40 1xl0 h ILE 817 N -0.04 1.25 -0.63 3.11 1.08 -0.85 -1.82 117.51 119.60 1xl0 h ILE 817 Ca 0.05 -0.95 0.00 0.00 -0.39 0.00 0.00 64.86 63.57 1xl0 h ILE 817 Cb 0.12 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 1xl0 h ILE 817 CO -0.12 0.35 0.41 0.00 -0.69 0.00 0.00 178.15 178.10 1xl0 h ALA 818 N 1.22 1.52 -0.24 1.87 0.00 -0.92 0.86 119.26 123.57 1xl0 h ALA 818 Ca 0.18 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1xl0 h ALA 818 Cb 0.39 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xl0 h ALA 818 CO 0.01 0.43 -0.56 1.96 0.00 0.00 0.00 179.25 181.09 1xl0 h GLN 819 N 0.86 0.81 -0.46 0.00 4.20 -0.76 -1.76 115.11 118.00 1xl0 h GLN 819 Ca 0.23 -0.55 -0.00 0.00 0.06 0.00 0.00 58.65 58.39 1xl0 h GLN 819 Cb -0.08 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1xl0 h GLN 819 CO -0.05 1.17 0.28 1.88 -0.67 0.00 0.00 178.83 181.45 1xl0 h TYR 820 N 0.56 0.60 -0.13 2.96 0.05 -0.87 0.68 116.97 120.82 1xl0 h TYR 820 Ca -0.00 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.79 1xl0 h TYR 820 Cb 1.18 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 38.70 1xl0 h TYR 820 CO 0.08 0.41 0.03 0.00 -1.05 0.00 0.00 178.16 177.63 1xl0 h ALA 821 N 1.14 0.13 0.11 3.88 0.00 -0.76 0.70 119.26 124.44 1xl0 h ALA 821 Ca 0.17 0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.86 1xl0 h ALA 821 Cb -0.02 0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.82 1xl0 h ALA 821 CO -0.03 -0.43 -1.01 0.00 0.00 0.00 0.00 179.25 177.79 1xl0 h ARG 822 N 0.08 0.49 0.00 0.00 3.08 -1.23 0.23 114.38 117.04 1xl0 h ARG 822 Ca 0.06 -0.67 0.00 0.00 0.07 0.00 0.00 59.98 59.43 1xl0 h ARG 822 Cb 0.05 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1xl0 h ARG 822 CO -0.07 1.29 -0.86 0.39 -1.07 0.00 0.00 179.97 179.64 1xl0 n GLU 823 N -3.97 0.30 0.00 0.04 1.02 0.22 -4.23 120.64 114.02 1xl0 n GLU 823 Ca -0.13 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1xl0 n GLU 823 Cb 0.88 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 1xl0 n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1xl0 n ILE 824 N -2.05 0.00 0.20 -3.67 5.41 0.04 -4.86 119.36 114.43 1xl0 n ILE 824 Ca 0.02 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.89 1xl0 n ILE 824 Cb 0.44 -1.19 0.11 0.00 -0.71 0.00 0.00 39.64 38.30 1xl0 n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1xl0 h TRP 825 N 0.00 0.00 -3.55 1.39 6.55 -1.01 -3.49 115.95 115.84 1xl0 h TRP 825 Ca 0.00 0.00 -0.18 0.00 0.95 0.00 0.00 58.89 59.66 1xl0 h TRP 825 Cb 0.75 0.00 0.07 0.00 -0.86 0.00 0.00 29.16 29.13 1xl0 h TRP 825 CO 0.00 0.00 -0.35 0.41 -1.05 0.00 0.00 178.44 177.45 1xl0 n GLY 826 N 1.15 0.15 3.05 1.49 0.00 0.58 -4.96 105.19 106.65 1xl0 n GLY 826 Ca 0.03 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 1xl0 n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xl0 s VAL 827 N -3.17 0.45 -0.22 1.61 -7.23 0.19 -5.01 120.40 107.02 1xl0 s VAL 827 Ca 0.18 -1.11 -0.11 0.00 -1.81 0.00 0.00 61.98 59.13 1xl0 s VAL 827 Cb -0.08 -0.62 -0.05 0.00 0.56 0.00 0.00 36.38 36.19 1xl0 s VAL 827 CO 0.36 -0.45 0.18 -1.61 -0.31 0.00 0.00 175.10 173.27 1xl0 s GLU 828 N -1.74 4.12 0.63 4.82 0.41 -1.26 -3.44 118.70 122.23 1xl0 s GLU 828 Ca -0.10 -0.21 -0.16 0.00 -0.41 0.00 0.00 54.97 54.10 1xl0 s GLU 828 Cb -0.09 -3.50 -0.02 0.00 -1.78 0.00 0.00 34.13 28.74 1xl0 s GLU 828 CO -0.00 0.12 1.11 -1.25 -0.49 0.00 0.00 175.26 174.75 1xl0 s PRO 829 N 0.87 2.97 -0.01 0.39 0.04 -1.26 -4.93 135.00 133.07 1xl0 s PRO 829 Ca 0.09 1.42 0.01 0.00 0.04 0.00 0.00 61.00 62.55 1xl0 s PRO 829 Cb -0.13 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1xl0 s PRO 829 CO 0.03 -1.12 -0.02 0.45 0.04 0.00 0.00 177.00 176.38 1xl0 s SER 830 N -2.43 0.32 -0.29 6.66 0.15 0.83 -5.02 113.70 113.92 1xl0 s SER 830 Ca 0.68 -0.04 0.11 0.00 0.70 0.00 0.00 55.95 57.40 1xl0 s SER 830 Cb -0.21 -0.07 0.65 0.00 -1.71 0.00 0.00 66.02 64.69 1xl0 s SER 830 CO 0.38 0.00 1.66 0.54 1.20 0.00 0.00 173.24 177.02 1xl0 n ARG 831 N 3.24 3.17 -2.91 5.44 5.12 -1.26 -3.00 116.66 126.46 1xl0 n ARG 831 Ca -0.15 -3.05 -0.41 0.00 -1.93 0.00 0.00 57.85 52.31 1xl0 n ARG 831 Cb 0.57 -2.06 -0.04 0.00 -1.16 0.00 0.00 32.46 29.78 1xl0 n ARG 831 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1xl0 s GLN 832 N -3.01 4.44 0.47 5.56 -0.21 -1.26 -5.04 119.66 120.61 1xl0 s GLN 832 Ca 0.50 1.07 -0.22 0.00 0.02 0.00 0.00 55.36 56.73 1xl0 s GLN 832 Cb 0.41 -3.48 -0.07 0.00 1.00 0.00 0.00 33.01 30.87 1xl0 s GLN 832 CO 0.10 -0.06 1.15 1.03 -2.12 0.00 0.00 175.29 175.39 1xl0 s ARG 833 N 1.16 3.72 0.01 2.91 3.00 -1.26 -4.96 118.95 123.54 1xl0 s ARG 833 Ca 0.42 1.71 -0.02 0.00 0.00 0.00 0.00 55.73 57.84 1xl0 s ARG 833 Cb -0.18 -2.34 -0.04 0.00 0.00 0.00 0.00 34.95 32.39 1xl0 s ARG 833 CO 0.20 -0.56 0.18 -0.51 0.00 0.00 0.00 175.30 174.60 1xl0 s LEU 834 N -3.14 4.30 0.13 2.53 1.43 -0.18 -5.03 118.68 118.72 1xl0 s LEU 834 Ca 0.65 0.29 -0.31 0.00 -1.03 0.00 0.00 54.13 53.73 1xl0 s LEU 834 Cb -0.27 -2.66 -0.10 0.00 0.03 0.00 0.00 46.19 43.19 1xl0 s LEU 834 CO 0.32 0.24 1.62 -2.16 0.23 0.00 0.00 176.35 176.60 1xl0 s PRO 835 N -2.08 4.20 0.00 1.29 0.04 -1.26 -4.62 135.00 132.57 1xl0 s PRO 835 Ca 0.29 2.38 0.25 0.00 0.04 0.00 0.00 61.00 63.96 1xl0 s PRO 835 Cb -0.13 -3.33 0.46 0.00 0.04 0.00 0.00 34.50 31.54 1xl0 s PRO 835 CO 0.21 -0.67 1.41 0.00 0.04 0.00 0.00 177.00 177.99