#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bx3 h SER 14 N 0.00 0.00 0.97 4.38 4.64 -1.96 -2.44 113.55 119.14 1bx3 h SER 14 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bx3 h SER 14 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1bx3 h SER 14 CO 0.00 0.09 0.00 1.33 -0.87 0.00 0.00 176.83 177.38 1bx3 n VAL 15 N -3.50 0.63 1.76 0.95 0.24 -1.26 -2.93 118.33 114.22 1bx3 n VAL 15 Ca -0.02 0.03 0.15 0.00 -2.04 0.00 0.00 64.34 62.47 1bx3 n VAL 15 Cb 0.23 -0.82 0.83 0.00 -1.47 0.00 0.00 33.84 32.61 1bx3 n VAL 15 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1bx3 n ARG 16 N -1.97 0.90 0.00 7.34 1.74 -0.92 -5.03 116.66 118.72 1bx3 n ARG 16 Ca 0.04 -0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 1bx3 n ARG 16 Cb 0.30 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1bx3 n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bx3 n GLY 17 N 1.11 -2.58 3.90 -0.13 0.00 -1.15 -2.03 105.19 104.32 1bx3 n GLY 17 Ca 0.20 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 1bx3 n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bx3 s LEU 18 N 0.00 4.21 -0.78 0.99 1.43 -1.26 -4.69 118.68 118.58 1bx3 s LEU 18 Ca 0.00 0.60 0.03 0.00 -1.03 0.00 0.00 54.13 53.73 1bx3 s LEU 18 Cb 0.00 -3.36 0.25 0.00 0.03 0.00 0.00 46.19 43.11 1bx3 s LEU 18 CO 0.00 -0.03 0.91 0.00 0.23 0.00 0.00 176.35 177.46 1bx3 n ALA 19 N -0.28 4.25 -1.67 4.21 0.00 -1.26 -3.57 120.51 122.19 1bx3 n ALA 19 Ca -0.02 -4.75 -0.39 0.00 0.00 0.00 0.00 53.44 48.28 1bx3 n ALA 19 Cb 0.53 -1.35 0.04 0.00 0.00 0.00 0.00 19.45 18.67 1bx3 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bx3 n GLY 20 N 1.22 0.18 0.15 0.00 0.00 -1.26 -4.83 105.19 100.64 1bx3 n GLY 20 Ca 0.27 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.18 1bx3 n GLY 20 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1bx3 h VAL 21 N 1.15 1.23 -0.31 1.61 -1.51 -1.99 -0.31 116.25 116.12 1bx3 h VAL 21 Ca -0.49 -0.76 -0.06 0.00 -1.23 0.00 0.00 66.70 64.16 1bx3 h VAL 21 Cb 1.33 1.24 -0.01 0.00 -2.13 0.00 0.00 31.29 31.73 1bx3 h VAL 21 CO 0.55 0.24 -0.04 -0.33 -1.23 0.00 0.00 177.57 176.76 1bx3 h GLU 22 N 0.23 0.58 -0.69 5.19 5.08 -1.99 -1.11 114.58 121.87 1bx3 h GLU 22 Ca 0.08 -0.21 0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1bx3 h GLU 22 Cb 0.32 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 1bx3 h GLU 22 CO 0.00 0.75 0.38 -0.97 -1.00 0.00 0.00 179.01 178.17 1bx3 h ASN 23 N 0.36 0.54 -0.06 1.42 -1.24 -1.92 0.18 115.58 114.87 1bx3 h ASN 23 Ca 0.08 0.04 -0.12 0.00 0.71 0.00 0.00 56.30 57.01 1bx3 h ASN 23 Cb 0.51 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 1bx3 h ASN 23 CO 0.02 0.34 -0.34 0.58 -1.29 0.00 0.00 177.43 176.75 1bx3 h VAL 24 N 0.68 1.29 -0.32 2.57 2.07 -0.92 -0.50 116.25 121.13 1bx3 h VAL 24 Ca 0.32 -1.45 -0.05 0.00 0.82 0.00 0.00 66.70 66.34 1bx3 h VAL 24 Cb 0.24 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1bx3 h VAL 24 CO -0.21 0.46 0.01 0.74 0.02 0.00 0.00 177.57 178.60 1bx3 h THR 25 N 0.46 1.25 -0.49 2.57 2.02 -0.08 -2.00 112.91 116.65 1bx3 h THR 25 Ca 0.05 -0.92 -0.11 0.00 0.77 0.00 0.00 66.41 66.20 1bx3 h THR 25 Cb 0.81 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 1bx3 h THR 25 CO 0.07 0.30 -0.15 -0.08 0.37 0.00 0.00 175.52 176.03 1bx3 h GLU 26 N 0.35 0.93 -0.11 6.66 4.57 -0.56 -1.99 114.58 124.43 1bx3 h GLU 26 Ca 0.09 -0.35 -0.00 0.00 -1.18 0.00 0.00 59.36 57.92 1bx3 h GLU 26 Cb 0.42 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1bx3 h GLU 26 CO 0.01 1.01 0.06 -0.07 -1.18 0.00 0.00 179.01 178.84 1bx3 h LEU 27 N 0.82 0.14 -0.90 1.64 3.38 -0.95 -0.92 115.31 118.52 1bx3 h LEU 27 Ca 0.12 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1bx3 h LEU 27 Cb 0.69 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1bx3 h LEU 27 CO 0.05 0.17 0.56 0.11 0.09 0.00 0.00 178.44 179.42 1bx3 h LYS 28 N 0.09 1.20 0.49 1.13 1.57 -1.29 0.15 116.57 119.92 1bx3 h LYS 28 Ca 0.04 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1bx3 h LYS 28 Cb 0.06 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1bx3 h LYS 28 CO -0.01 0.83 -0.31 -0.22 -0.57 0.00 0.00 179.45 179.17 1bx3 h LYS 29 N 1.23 -0.74 0.00 3.15 3.64 -1.04 -1.14 116.57 121.68 1bx3 h LYS 29 Ca 0.32 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.71 1bx3 h LYS 29 Cb -0.08 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1bx3 h LYS 29 CO -0.06 -0.49 -0.19 -0.91 -2.27 0.00 0.00 179.45 175.52 1bx3 h ASN 30 N -0.77 0.00 -0.15 4.20 2.35 -0.90 0.84 115.58 121.15 1bx3 h ASN 30 Ca -0.05 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 1bx3 h ASN 30 Cb 0.63 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 1bx3 h ASN 30 CO 0.05 0.19 0.00 0.15 -1.65 0.00 0.00 177.43 176.17 1bx3 h PHE 31 N 0.00 0.28 -0.37 1.19 3.04 -0.30 -1.69 116.94 119.09 1bx3 h PHE 31 Ca -0.00 -0.05 -0.10 0.00 3.98 0.00 0.00 57.97 61.80 1bx3 h PHE 31 Cb 0.42 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.84 1bx3 h PHE 31 CO 0.00 0.48 -0.19 -0.91 -2.02 0.00 0.00 178.31 175.67 1bx3 h ASN 32 N 0.01 0.71 -0.52 0.41 2.35 -0.62 -1.86 115.58 116.07 1bx3 h ASN 32 Ca 0.04 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1bx3 h ASN 32 Cb 0.36 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 1bx3 h ASN 32 CO 0.01 0.90 0.33 -0.09 -1.65 0.00 0.00 177.43 176.93 1bx3 h ARG 33 N 0.63 0.69 -0.20 0.81 2.43 -0.70 -2.04 114.38 116.00 1bx3 h ARG 33 Ca 0.10 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.09 1bx3 h ARG 33 Cb 0.67 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1bx3 h ARG 33 CO 0.05 0.47 -0.43 0.45 -1.51 0.00 0.00 179.97 179.00 1bx3 h HIS 34 N 0.70 0.56 -0.83 2.20 3.86 -1.12 0.16 115.15 120.68 1bx3 h HIS 34 Ca 0.19 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1bx3 h HIS 34 Cb -0.06 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.25 1bx3 h HIS 34 CO -0.03 0.82 0.49 1.25 0.86 0.00 0.00 177.93 181.31 1bx3 h LEU 35 N 0.38 1.00 0.05 2.43 5.85 -1.03 0.65 115.31 124.65 1bx3 h LEU 35 Ca 0.03 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1bx3 h LEU 35 Cb 0.91 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1bx3 h LEU 35 CO 0.08 0.78 -0.02 -0.74 -0.34 0.00 0.00 178.44 178.19 1bx3 h HIS 36 N 1.14 -0.06 -0.19 1.25 2.76 -1.14 -1.10 115.15 117.80 1bx3 h HIS 36 Ca 0.30 -0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.29 1bx3 h HIS 36 Cb -0.03 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 28.95 1bx3 h HIS 36 CO -0.00 -0.04 -0.59 0.74 -1.30 0.00 0.00 177.93 176.74 1bx3 h PHE 37 N -0.23 0.79 0.13 5.26 0.04 -0.78 -1.40 116.94 120.75 1bx3 h PHE 37 Ca -0.01 -0.29 -0.35 0.00 2.80 0.00 0.00 57.97 60.12 1bx3 h PHE 37 Cb 0.05 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 1bx3 h PHE 37 CO 0.04 1.06 -1.87 1.15 -0.60 0.00 0.00 178.31 178.09 1bx3 h THR 38 N 0.46 0.72 0.00 -1.55 2.02 -1.25 -3.39 112.91 109.93 1bx3 h THR 38 Ca -0.00 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.81 1bx3 h THR 38 Cb 1.16 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 70.12 1bx3 h THR 38 CO 0.12 0.85 -1.25 0.18 0.37 0.00 0.00 175.52 175.78 1bx3 n LEU 39 N -3.59 0.56 -3.65 2.58 4.77 0.06 -5.00 117.00 112.72 1bx3 n LEU 39 Ca -0.30 -0.12 -0.26 0.00 -0.03 0.00 0.00 56.01 55.29 1bx3 n LEU 39 Cb 1.02 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 42.10 1bx3 n LEU 39 CO 0.43 0.08 -0.08 0.52 -1.33 0.00 0.00 177.39 177.01 1bx3 n VAL 40 N -1.94 -5.71 -4.24 4.08 0.31 -0.53 -4.98 118.33 105.33 1bx3 n VAL 40 Ca 0.01 -0.86 -0.13 0.00 -0.01 0.00 0.00 64.34 63.34 1bx3 n VAL 40 Cb 0.45 -4.34 -0.10 0.00 -0.91 0.00 0.00 33.84 28.93 1bx3 n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1bx3 s LYS 41 N -5.82 1.11 0.39 5.55 -0.14 -0.46 -5.02 119.74 115.35 1bx3 s LYS 41 Ca 0.31 -1.54 0.07 0.00 -1.36 0.00 0.00 55.97 53.45 1bx3 s LYS 41 Cb -0.10 -0.21 -0.08 0.00 -1.68 0.00 0.00 37.83 35.77 1bx3 s LYS 41 CO 0.84 -0.16 0.01 0.16 -0.76 0.00 0.00 175.35 175.44 1bx3 s ASP 42 N -3.17 3.56 0.00 2.83 1.47 -1.26 -4.05 116.67 116.04 1bx3 s ASP 42 Ca 0.25 -1.36 0.21 0.00 1.18 0.00 0.00 52.55 52.83 1bx3 s ASP 42 Cb 0.06 -0.33 1.05 0.00 -0.34 0.00 0.00 42.92 43.36 1bx3 s ASP 42 CO 0.04 -0.46 1.65 0.54 0.68 0.00 0.00 175.17 177.62 1bx3 n ARG 43 N -0.89 0.32 0.10 2.11 5.12 -1.26 -1.43 116.66 120.72 1bx3 n ARG 43 Ca -0.04 0.09 -0.17 0.00 -1.93 0.00 0.00 57.85 55.79 1bx3 n ARG 43 Cb 0.67 -1.50 -0.11 0.00 -1.16 0.00 0.00 32.46 30.35 1bx3 n ARG 43 CO 0.00 0.00 0.00 -0.97 -1.93 0.00 0.00 177.63 174.73 1bx3 h ASN 44 N 0.00 0.59 0.00 0.55 -1.24 -2.05 -3.36 115.58 110.07 1bx3 h ASN 44 Ca 0.00 -0.57 0.00 0.00 0.71 0.00 0.00 56.30 56.44 1bx3 h ASN 44 Cb 0.18 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.04 1bx3 h ASN 44 CO 0.00 1.41 -0.71 1.33 -1.29 0.00 0.00 177.43 178.17 1bx3 n VAL 45 N -3.67 0.00 -1.70 2.57 0.24 -1.11 -5.03 118.33 109.64 1bx3 n VAL 45 Ca -0.10 -0.24 -0.43 0.00 -2.04 0.00 0.00 64.34 61.53 1bx3 n VAL 45 Cb 0.97 0.86 -0.02 0.00 -1.47 0.00 0.00 33.84 34.18 1bx3 n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bx3 n ALA 46 N -1.38 1.67 -2.35 2.33 0.00 -0.51 -4.97 120.51 115.29 1bx3 n ALA 46 Ca 0.01 0.39 -0.21 0.00 0.00 0.00 0.00 53.44 53.63 1bx3 n ALA 46 Cb 0.20 -2.34 -0.04 0.00 0.00 0.00 0.00 19.45 17.26 1bx3 n ALA 46 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1bx3 s THR 47 N -0.11 2.94 0.36 0.00 -4.23 -1.26 -4.97 115.64 108.37 1bx3 s THR 47 Ca 0.66 -1.41 0.09 0.00 -1.18 0.00 0.00 61.69 59.84 1bx3 s THR 47 Cb -0.59 -3.05 0.32 0.00 1.34 0.00 0.00 72.50 70.52 1bx3 s THR 47 CO 0.50 -0.07 1.90 -0.65 -0.54 0.00 0.00 174.62 175.76 1bx3 h PRO 48 N 1.18 0.66 -0.88 3.99 0.11 -1.99 0.24 132.00 135.31 1bx3 h PRO 48 Ca -0.43 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.68 1bx3 h PRO 48 Cb 1.26 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 1bx3 h PRO 48 CO 0.59 0.44 0.57 -0.09 -0.21 0.00 0.00 178.00 179.30 1bx3 h ARG 49 N 0.68 1.07 -0.70 1.05 2.43 -1.96 0.35 114.38 117.30 1bx3 h ARG 49 Ca 0.41 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.44 1bx3 h ARG 49 Cb 0.62 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1bx3 h ARG 49 CO -0.17 0.71 0.15 -0.44 -1.51 0.00 0.00 179.97 178.71 1bx3 h ASP 50 N 1.10 1.09 -0.58 -3.80 3.32 -1.38 -1.85 116.42 114.33 1bx3 h ASP 50 Ca 0.35 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 1bx3 h ASP 50 Cb 0.01 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 1bx3 h ASP 50 CO -0.12 1.05 0.09 1.88 -1.72 0.00 0.00 179.24 180.42 1bx3 h TYR 51 N 1.08 1.05 -0.32 4.55 0.05 0.07 0.94 116.97 124.38 1bx3 h TYR 51 Ca 0.22 -0.14 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 1bx3 h TYR 51 Cb 0.40 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 1bx3 h TYR 51 CO 0.03 0.89 0.15 -0.92 -1.05 0.00 0.00 178.16 177.26 1bx3 h TYR 52 N 0.93 0.46 -0.52 4.88 3.20 -0.01 -2.12 116.97 123.79 1bx3 h TYR 52 Ca 0.19 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 1bx3 h TYR 52 Cb 0.42 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 1bx3 h TYR 52 CO 0.03 0.42 0.06 0.74 -1.64 0.00 0.00 178.16 177.76 1bx3 h PHE 53 N 0.37 0.87 -0.80 -3.82 0.04 -0.88 0.91 116.94 113.63 1bx3 h PHE 53 Ca 0.11 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1bx3 h PHE 53 Cb 0.13 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 38.00 1bx3 h PHE 53 CO -0.01 0.77 0.41 0.00 -0.60 0.00 0.00 178.31 178.87 1bx3 h ALA 54 N 1.28 1.03 -0.26 2.45 0.00 -0.62 -0.71 119.26 122.43 1bx3 h ALA 54 Ca 0.16 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1bx3 h ALA 54 Cb 0.39 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1bx3 h ALA 54 CO 0.01 0.57 -0.36 1.25 0.00 0.00 0.00 179.25 180.72 1bx3 h LEU 55 N 1.12 0.77 -0.51 0.00 5.85 -0.95 -2.26 115.31 119.33 1bx3 h LEU 55 Ca 0.28 -0.51 0.04 0.00 0.84 0.00 0.00 57.88 58.53 1bx3 h LEU 55 Cb 0.08 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1bx3 h LEU 55 CO -0.04 1.13 0.27 0.00 -0.34 0.00 0.00 178.44 179.46 1bx3 h ALA 56 N 0.66 0.65 -0.66 1.25 0.00 -0.53 0.22 119.26 120.86 1bx3 h ALA 56 Ca 0.03 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1bx3 h ALA 56 Cb 0.95 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1bx3 h ALA 56 CO 0.09 -0.06 0.09 0.45 0.00 0.00 0.00 179.25 179.82 1bx3 h HIS 57 N 0.53 1.17 -0.59 0.00 3.86 -1.13 0.11 115.15 119.11 1bx3 h HIS 57 Ca 0.22 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1bx3 h HIS 57 Cb 0.10 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 28.22 1bx3 h HIS 57 CO -0.09 0.99 0.32 1.15 0.86 0.00 0.00 177.93 181.16 1bx3 h THR 58 N 1.03 1.19 -0.33 2.45 2.02 -0.72 -1.73 112.91 116.82 1bx3 h THR 58 Ca 0.20 -0.49 -0.16 0.00 0.77 0.00 0.00 66.41 66.73 1bx3 h THR 58 Cb 0.46 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1bx3 h THR 58 CO 0.02 0.21 -0.42 0.58 0.37 0.00 0.00 175.52 176.27 1bx3 h VAL 59 N 0.80 1.28 -0.55 3.16 2.07 -0.32 -3.09 116.25 119.59 1bx3 h VAL 59 Ca 0.21 -1.60 0.06 0.00 0.82 0.00 0.00 66.70 66.19 1bx3 h VAL 59 Cb 0.05 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1bx3 h VAL 59 CO -0.03 0.53 0.37 -0.09 0.02 0.00 0.00 177.57 178.36 1bx3 h ARG 60 N 0.65 0.49 -0.47 1.57 2.43 -0.45 -1.36 114.38 117.24 1bx3 h ARG 60 Ca 0.04 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1bx3 h ARG 60 Cb 1.02 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 1bx3 h ARG 60 CO 0.10 0.33 0.31 -0.44 -1.51 0.00 0.00 179.97 178.76 1bx3 h ASP 61 N 0.51 0.50 0.60 -3.80 3.32 -1.23 -1.85 116.42 114.47 1bx3 h ASP 61 Ca 0.24 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1bx3 h ASP 61 Cb 0.30 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1bx3 h ASP 61 CO -0.07 0.36 0.00 0.45 -1.72 0.00 0.00 179.24 178.26 1bx3 h HIS 62 N 0.59 0.00 0.09 4.55 3.86 -1.33 -2.88 115.15 120.02 1bx3 h HIS 62 Ca 0.18 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 59.11 1bx3 h HIS 62 Cb 0.01 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 1bx3 h HIS 62 CO -0.00 0.00 -1.38 -0.07 0.86 0.00 0.00 177.93 177.34 1bx3 h LEU 63 N 0.00 0.29 -0.41 2.43 3.38 -1.42 -3.40 115.31 116.18 1bx3 h LEU 63 Ca 0.00 -0.37 0.08 0.00 0.09 0.00 0.00 57.88 57.69 1bx3 h LEU 63 Cb 0.30 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.87 1bx3 h LEU 63 CO 0.00 1.30 -0.26 0.58 0.09 0.00 0.00 178.44 180.15 1bx3 h VAL 64 N 0.05 0.31 0.04 1.22 2.07 -1.53 0.21 116.25 118.62 1bx3 h VAL 64 Ca -0.18 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.37 1bx3 h VAL 64 Cb 1.96 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 1bx3 h VAL 64 CO 0.16 0.00 -0.36 1.23 0.02 0.00 0.00 177.57 178.62 1bx3 h GLY 65 N -0.19 -0.66 1.43 2.17 0.00 -1.78 -1.31 103.07 102.74 1bx3 h GLY 65 Ca 0.19 0.44 -0.06 0.00 0.00 0.00 0.00 47.33 47.89 1bx3 h GLY 65 CO -0.52 -0.25 0.02 3.21 0.00 0.00 0.00 176.54 179.00 1bx3 h ARG 66 N -0.54 0.70 -0.57 4.80 3.08 -1.73 -1.21 114.38 118.91 1bx3 h ARG 66 Ca 0.05 -0.17 0.05 0.00 0.07 0.00 0.00 59.98 59.98 1bx3 h ARG 66 Cb 0.61 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 1bx3 h ARG 66 CO -0.26 0.71 0.30 2.35 -1.07 0.00 0.00 179.97 182.00 1bx3 h TRP 67 N 0.67 0.56 -0.10 3.04 7.01 -0.03 0.24 115.95 127.33 1bx3 h TRP 67 Ca 0.14 0.02 -0.22 0.00 2.11 0.00 0.00 58.89 60.94 1bx3 h TRP 67 Cb 0.39 -0.17 0.01 0.00 -2.10 0.00 0.00 29.16 27.30 1bx3 h TRP 67 CO 0.02 0.27 -0.78 0.82 -2.79 0.00 0.00 178.44 175.97 1bx3 h ILE 68 N 0.58 1.30 -0.68 2.65 2.04 -1.05 -3.01 117.51 119.34 1bx3 h ILE 68 Ca 0.25 -2.02 -0.08 0.00 1.00 0.00 0.00 64.86 64.02 1bx3 h ILE 68 Cb 0.15 2.16 -0.03 0.00 -0.74 0.00 0.00 36.82 38.37 1bx3 h ILE 68 CO -0.17 0.63 0.13 0.03 0.00 0.00 0.00 178.15 178.77 1bx3 h ARG 69 N 0.38 1.11 0.42 2.37 3.08 -0.93 -1.67 114.38 119.14 1bx3 h ARG 69 Ca -0.07 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.67 1bx3 h ARG 69 Cb 1.43 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1bx3 h ARG 69 CO 0.16 1.01 -0.20 1.15 -1.07 0.00 0.00 179.97 181.02 1bx3 h THR 70 N 1.04 0.59 -0.35 2.04 2.02 -0.58 0.25 112.91 117.93 1bx3 h THR 70 Ca 0.21 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.31 1bx3 h THR 70 Cb 0.42 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1bx3 h THR 70 CO 0.01 0.01 0.09 1.56 0.37 0.00 0.00 175.52 177.56 1bx3 h GLN 71 N -0.58 0.51 -0.32 6.66 1.08 -1.52 -0.68 115.11 120.25 1bx3 h GLN 71 Ca -0.06 -0.08 -0.06 0.00 -1.45 0.00 0.00 58.65 57.00 1bx3 h GLN 71 Cb 0.44 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 1bx3 h GLN 71 CO 0.09 0.47 -0.04 0.37 -0.95 0.00 0.00 178.83 178.77 1bx3 h GLN 72 N 0.50 0.60 -0.78 1.46 5.75 -1.03 -2.29 115.11 119.33 1bx3 h GLN 72 Ca 0.12 -0.21 0.05 0.00 -0.15 0.00 0.00 58.65 58.45 1bx3 h GLN 72 Cb 0.19 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.64 1bx3 h GLN 72 CO -0.00 0.76 0.48 1.25 -2.65 0.00 0.00 178.83 178.67 1bx3 h HIS 73 N 0.39 0.90 -0.05 3.99 2.76 0.40 0.20 115.15 123.75 1bx3 h HIS 73 Ca 0.09 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.22 1bx3 h HIS 73 Cb 0.52 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 1bx3 h HIS 73 CO 0.04 0.49 -0.26 1.88 -1.30 0.00 0.00 177.93 178.78 1bx3 h TYR 74 N 0.92 0.09 -0.10 5.26 0.05 -1.01 0.23 116.97 122.40 1bx3 h TYR 74 Ca 0.33 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 59.00 1bx3 h TYR 74 Cb 0.09 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.81 1bx3 h TYR 74 CO -0.04 0.34 -0.29 -0.92 -1.05 0.00 0.00 178.16 176.20 1bx3 h TYR 75 N 0.08 0.50 -0.10 4.88 3.20 -0.61 0.39 116.97 125.30 1bx3 h TYR 75 Ca 0.01 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 61.68 1bx3 h TYR 75 Cb 0.51 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 1bx3 h TYR 75 CO 0.00 0.91 0.02 0.93 -1.64 0.00 0.00 178.16 178.38 1bx3 h GLU 76 N -0.06 0.16 -0.00 1.82 5.08 -0.70 -3.25 114.58 117.63 1bx3 h GLU 76 Ca -0.01 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 1bx3 h GLU 76 Cb 0.91 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1bx3 h GLU 76 CO 0.06 0.34 -0.68 -0.22 -1.00 0.00 0.00 179.01 177.51 1bx3 h LYS 77 N -0.04 0.02 -5.99 2.33 3.11 -0.63 -3.49 116.57 111.88 1bx3 h LYS 77 Ca 0.03 -0.02 -0.39 0.00 -2.81 0.00 0.00 60.65 57.47 1bx3 h LYS 77 Cb 0.25 0.00 0.09 0.00 -1.00 0.00 0.00 32.23 31.58 1bx3 h LYS 77 CO 0.00 0.70 -0.85 -3.47 -2.81 0.00 0.00 179.45 173.02 1bx3 n ASP 78 N -3.73 -2.72 -4.90 4.20 2.03 0.13 -5.01 116.55 106.54 1bx3 n ASP 78 Ca -0.01 -0.83 -0.28 0.00 0.52 0.00 0.00 54.79 54.19 1bx3 n ASP 78 Cb 0.67 -4.17 0.07 0.00 -0.72 0.00 0.00 41.12 36.97 1bx3 n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1bx3 s PRO 79 N -5.71 2.35 0.36 -0.67 0.04 -1.26 -4.99 135.00 125.12 1bx3 s PRO 79 Ca 0.15 0.13 -0.28 0.00 0.04 0.00 0.00 61.00 61.04 1bx3 s PRO 79 Cb -0.04 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 1bx3 s PRO 79 CO 0.81 -1.29 1.42 0.21 0.04 0.00 0.00 177.00 178.19 1bx3 s LYS 80 N -5.40 4.20 -0.14 4.56 2.20 -1.26 -4.98 119.74 118.92 1bx3 s LYS 80 Ca 0.60 2.44 -0.06 0.00 -0.36 0.00 0.00 55.97 58.59 1bx3 s LYS 80 Cb -0.11 -3.01 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 1bx3 s LYS 80 CO 0.49 -0.41 0.06 1.03 -0.36 0.00 0.00 175.35 176.16 1bx3 s ARG 81 N -1.97 3.55 -0.28 4.03 0.52 -0.43 -4.57 118.95 119.80 1bx3 s ARG 81 Ca 0.51 -0.31 -0.10 0.00 -0.52 0.00 0.00 55.73 55.31 1bx3 s ARG 81 Cb -0.44 -3.08 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 1bx3 s ARG 81 CO 0.59 0.53 0.17 0.42 0.02 0.00 0.00 175.30 177.04 1bx3 s ILE 82 N -0.36 5.12 -0.35 1.52 -1.09 -0.47 -1.14 121.20 124.42 1bx3 s ILE 82 Ca 0.09 0.06 -0.07 0.00 -2.23 0.00 0.00 60.65 58.50 1bx3 s ILE 82 Cb -0.12 -3.45 0.04 0.00 -1.58 0.00 0.00 42.46 37.34 1bx3 s ILE 82 CO 0.02 0.24 0.13 -0.31 -1.23 0.00 0.00 174.94 173.78 1bx3 s TYR 83 N 1.73 3.25 -0.67 3.97 2.02 0.19 0.78 117.35 128.62 1bx3 s TYR 83 Ca 0.07 -1.32 -0.17 0.00 -0.37 0.00 0.00 57.07 55.28 1bx3 s TYR 83 Cb -0.16 -2.31 0.14 0.00 -0.40 0.00 0.00 41.96 39.23 1bx3 s TYR 83 CO 0.10 -0.71 0.71 -0.47 -1.57 0.00 0.00 175.55 173.61 1bx3 s TYR 84 N 1.44 3.26 -0.22 2.71 5.04 -0.38 -0.48 117.35 128.73 1bx3 s TYR 84 Ca -0.01 -1.34 -0.23 0.00 -2.44 0.00 0.00 57.07 53.04 1bx3 s TYR 84 Cb -0.19 -3.94 -0.01 0.00 0.35 0.00 0.00 41.96 38.16 1bx3 s TYR 84 CO 0.04 -1.17 0.76 -0.51 -1.34 0.00 0.00 175.55 173.32 1bx3 s LEU 85 N 1.79 4.11 -0.04 6.97 1.02 -0.75 -1.72 118.68 130.07 1bx3 s LEU 85 Ca 0.13 0.98 -0.11 0.00 0.02 0.00 0.00 54.13 55.15 1bx3 s LEU 85 Cb -0.20 -3.09 0.02 0.00 0.02 0.00 0.00 46.19 42.94 1bx3 s LEU 85 CO 0.00 -0.42 0.25 -0.55 0.02 0.00 0.00 176.35 175.65 1bx3 s SER 86 N 1.29 -0.16 0.00 2.29 0.15 -0.95 -1.99 113.70 114.32 1bx3 s SER 86 Ca 0.33 0.15 0.29 0.00 0.70 0.00 0.00 55.95 57.43 1bx3 s SER 86 Cb -0.16 0.36 1.29 0.00 -1.71 0.00 0.00 66.02 65.80 1bx3 s SER 86 CO 0.09 -0.32 1.88 0.18 1.20 0.00 0.00 173.24 176.28 1bx3 n LEU 87 N 1.84 1.02 -3.82 3.45 7.99 -1.26 -4.17 117.00 122.04 1bx3 n LEU 87 Ca -0.19 -0.33 -0.12 0.00 -0.01 0.00 0.00 56.01 55.36 1bx3 n LEU 87 Cb 0.57 -0.01 -0.11 0.00 -0.11 0.00 0.00 43.42 43.75 1bx3 n LEU 87 CO 0.20 0.17 -0.14 -1.61 -1.51 0.00 0.00 177.39 174.51 1bx3 s GLU 88 N -2.04 0.35 -0.35 3.23 2.02 -1.26 -4.70 118.70 115.95 1bx3 s GLU 88 Ca 0.40 0.02 0.01 0.00 0.02 0.00 0.00 54.97 55.42 1bx3 s GLU 88 Cb 0.21 0.16 0.14 0.00 0.10 0.00 0.00 34.13 34.74 1bx3 s GLU 88 CO 0.36 -0.07 0.28 -0.06 0.02 0.00 0.00 175.26 175.79 1bx3 s PHE 89 N -0.50 0.16 -1.19 1.61 0.08 0.89 -4.68 117.98 114.36 1bx3 s PHE 89 Ca -0.06 -1.10 -0.20 0.00 0.12 0.00 0.00 56.93 55.69 1bx3 s PHE 89 Cb -0.04 -0.66 0.04 0.00 -0.57 0.00 0.00 43.02 41.78 1bx3 s PHE 89 CO 0.01 -0.89 1.70 -0.47 -0.10 0.00 0.00 175.22 175.47 1bx3 s TYR 90 N 1.43 2.54 0.06 0.36 6.14 -0.59 -3.66 117.35 123.64 1bx3 s TYR 90 Ca 0.16 -1.00 0.03 0.00 0.64 0.00 0.00 57.07 56.90 1bx3 s TYR 90 Cb -0.18 -4.60 -0.24 0.00 0.42 0.00 0.00 41.96 37.35 1bx3 s TYR 90 CO -0.07 -1.76 1.08 0.52 0.64 0.00 0.00 175.55 175.95 1bx3 h MET 91 N 8.67 0.12 0.00 4.97 2.86 -1.76 -3.41 114.93 126.39 1bx3 h MET 91 Ca 0.33 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1bx3 h MET 91 Cb 0.92 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1bx3 h MET 91 CO 1.40 1.01 0.00 0.41 1.06 0.00 0.00 176.91 180.80 1bx3 n GLY 92 N 1.49 -0.51 3.87 8.32 0.00 -1.05 -4.83 105.19 112.47 1bx3 n GLY 92 Ca -0.08 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 1bx3 n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bx3 s ARG 93 N 0.00 3.39 -0.00 1.61 0.52 -1.26 -1.58 118.95 121.63 1bx3 s ARG 93 Ca 0.00 0.71 0.02 0.00 -0.52 0.00 0.00 55.73 55.93 1bx3 s ARG 93 Cb 0.00 -2.06 -0.03 0.00 0.52 0.00 0.00 34.95 33.38 1bx3 s ARG 93 CO 0.00 -0.71 0.03 2.41 0.02 0.00 0.00 175.30 177.05 1bx3 n THR 94 N -2.84 0.01 0.49 0.02 -1.04 -1.26 -4.66 114.28 105.00 1bx3 n THR 94 Ca 0.06 -0.04 -0.20 0.00 -2.04 0.00 0.00 64.05 61.83 1bx3 n THR 94 Cb 0.55 0.28 -0.10 0.00 -1.82 0.00 0.00 70.33 69.24 1bx3 n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1bx3 h LEU 95 N 0.00 -1.06 -0.55 -4.42 5.85 -1.97 -0.70 115.31 112.47 1bx3 h LEU 95 Ca -0.01 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1bx3 h LEU 95 Cb 0.21 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1bx3 h LEU 95 CO 0.00 -0.75 0.30 -0.61 -0.34 0.00 0.00 178.44 177.04 1bx3 h GLN 96 N -1.24 0.76 -0.78 1.25 4.15 -1.96 -1.75 115.11 115.53 1bx3 h GLN 96 Ca -0.13 -0.09 0.05 0.00 0.77 0.00 0.00 58.65 59.25 1bx3 h GLN 96 Cb 0.95 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 28.45 1bx3 h GLN 96 CO 0.20 0.59 0.52 -0.97 -1.93 0.00 0.00 178.83 177.24 1bx3 h ASN 97 N 0.73 0.78 -0.29 -0.69 -0.00 -1.82 0.73 115.58 115.04 1bx3 h ASN 97 Ca 0.19 -0.00 -0.08 0.00 -0.00 0.00 0.00 56.30 56.41 1bx3 h ASN 97 Cb 0.05 -0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 38.19 1bx3 h ASN 97 CO -0.03 0.52 -0.14 0.74 -0.00 0.00 0.00 177.43 178.52 1bx3 h THR 98 N 0.90 1.29 -0.52 -3.57 2.02 -0.67 -2.28 112.91 110.08 1bx3 h THR 98 Ca 0.33 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.25 1bx3 h THR 98 Cb 0.15 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1bx3 h THR 98 CO -0.11 0.40 0.25 0.24 0.37 0.00 0.00 175.52 176.67 1bx3 h MET 99 N 0.36 0.76 0.16 6.66 2.86 -0.55 -2.31 114.93 122.87 1bx3 h MET 99 Ca 0.06 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1bx3 h MET 99 Cb 0.66 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 1bx3 h MET 99 CO 0.04 0.62 -0.09 0.28 1.06 0.00 0.00 176.91 178.83 1bx3 h VAL 100 N 0.70 0.81 0.00 -2.22 2.07 -0.84 0.16 116.25 116.94 1bx3 h VAL 100 Ca 0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1bx3 h VAL 100 Cb 0.12 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1bx3 h VAL 100 CO -0.02 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.35 1bx3 h ASN 101 N -0.24 0.00 -0.09 0.57 2.35 -1.33 -2.54 115.58 114.31 1bx3 h ASN 101 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1bx3 h ASN 101 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1bx3 h ASN 101 CO 0.02 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.98 1bx3 n LEU 102 N -2.47 2.38 -2.07 1.61 4.77 -0.88 -0.87 117.00 119.47 1bx3 n LEU 102 Ca 0.01 -1.15 -0.16 0.00 -0.03 0.00 0.00 56.01 54.68 1bx3 n LEU 102 Cb 0.24 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1bx3 n LEU 102 CO 0.21 0.46 -0.07 0.00 -1.33 0.00 0.00 177.39 176.67 1bx3 n ALA 103 N 0.83 -0.62 0.32 -1.18 0.00 -0.43 -4.94 120.51 114.49 1bx3 n ALA 103 Ca 0.10 0.18 0.07 0.00 0.00 0.00 0.00 53.44 53.79 1bx3 n ALA 103 Cb 0.39 -2.56 0.11 0.00 0.00 0.00 0.00 19.45 17.39 1bx3 n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bx3 n LEU 104 N -2.72 2.58 0.09 0.00 4.77 0.44 -4.47 117.00 117.70 1bx3 n LEU 104 Ca -0.12 -1.35 -0.12 0.00 -0.03 0.00 0.00 56.01 54.40 1bx3 n LEU 104 Cb 0.60 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 1bx3 n LEU 104 CO 0.30 0.54 0.74 -0.08 -1.33 0.00 0.00 177.39 177.56 1bx3 h GLU 105 N 2.83 -0.33 -0.58 3.23 4.81 -1.63 -0.63 114.58 122.28 1bx3 h GLU 105 Ca 0.00 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 1bx3 h GLU 105 Cb 0.68 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 1bx3 h GLU 105 CO 0.00 -0.22 -0.04 -0.91 -0.73 0.00 0.00 179.01 177.11 1bx3 h ASN 106 N -0.34 1.04 -0.33 1.04 -0.26 -1.68 0.25 115.58 115.30 1bx3 h ASN 106 Ca 0.03 -0.31 -0.00 0.00 -0.56 0.00 0.00 56.30 55.46 1bx3 h ASN 106 Cb 0.38 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.34 1bx3 h ASN 106 CO -0.12 1.11 0.21 0.00 -1.06 0.00 0.00 177.43 177.56 1bx3 h ALA 107 N 0.99 0.43 -0.28 -0.83 0.00 -1.58 0.13 119.26 118.11 1bx3 h ALA 107 Ca 0.16 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1bx3 h ALA 107 Cb 0.60 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1bx3 h ALA 107 CO 0.04 -0.08 -0.33 0.00 0.00 0.00 0.00 179.25 178.87 1bx3 h ASP 109 N 0.50 0.92 -0.11 0.00 3.58 -0.56 -0.11 116.42 120.65 1bx3 h ASP 109 Ca 0.06 -0.21 -0.11 0.00 0.42 0.00 0.00 57.03 57.19 1bx3 h ASP 109 Cb 0.82 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1bx3 h ASP 109 CO 0.07 0.88 -0.35 -0.08 -2.88 0.00 0.00 179.24 176.88 1bx3 h GLU 110 N 0.91 0.43 0.11 0.28 4.57 -0.49 -1.77 114.58 118.62 1bx3 h GLU 110 Ca 0.21 -0.32 0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1bx3 h GLU 110 Cb 0.29 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 1bx3 h GLU 110 CO -0.01 0.94 -0.12 0.00 -1.18 0.00 0.00 179.01 178.65 1bx3 h ALA 111 N 0.49 -0.22 -0.11 2.92 0.00 -0.60 0.92 119.26 122.66 1bx3 h ALA 111 Ca -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1bx3 h ALA 111 Cb 0.98 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1bx3 h ALA 111 CO 0.08 -0.64 -0.18 1.79 0.00 0.00 0.00 179.25 180.29 1bx3 h THR 112 N -0.26 1.19 -0.31 0.00 1.35 -1.09 -1.95 112.91 111.84 1bx3 h THR 112 Ca 0.01 -0.84 -0.05 0.00 -0.55 0.00 0.00 66.41 64.97 1bx3 h THR 112 Cb 0.25 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1bx3 h THR 112 CO -0.04 0.26 -0.00 0.22 -0.25 0.00 0.00 175.52 175.70 1bx3 h TYR 113 N 0.16 0.60 0.00 4.73 3.20 -0.71 0.55 116.97 125.49 1bx3 h TYR 113 Ca 0.03 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.78 1bx3 h TYR 113 Cb 0.42 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 1bx3 h TYR 113 CO 0.00 0.68 -0.07 1.96 -1.64 0.00 0.00 178.16 179.09 1bx3 h GLN 114 N 0.34 0.00 -0.19 1.82 4.20 -0.36 0.30 115.11 121.22 1bx3 h GLN 114 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1bx3 h GLN 114 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1bx3 h GLN 114 CO 0.02 0.07 0.00 1.28 -0.67 0.00 0.00 178.83 179.53 1bx3 n LEU 115 N -3.89 1.42 -0.61 1.46 4.77 -0.78 -4.89 117.00 114.48 1bx3 n LEU 115 Ca -0.02 -0.64 -0.05 0.00 -0.03 0.00 0.00 56.01 55.26 1bx3 n LEU 115 Cb 0.17 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1bx3 n LEU 115 CO 0.30 0.32 -0.07 0.61 -1.33 0.00 0.00 177.39 177.22 1bx3 n GLY 116 N 1.03 0.17 3.36 -0.72 0.00 0.10 -5.05 105.19 104.08 1bx3 n GLY 116 Ca 0.13 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 1bx3 n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bx3 s LEU 117 N -1.54 2.29 -0.55 0.99 1.43 0.19 -4.99 118.68 116.50 1bx3 s LEU 117 Ca 0.00 -0.71 -0.17 0.00 -1.03 0.00 0.00 54.13 52.22 1bx3 s LEU 117 Cb 0.00 -1.16 0.12 0.00 0.03 0.00 0.00 46.19 45.18 1bx3 s LEU 117 CO 0.00 0.17 0.55 -0.62 0.23 0.00 0.00 176.35 176.68 1bx3 s ASP 118 N -1.90 6.19 0.44 2.29 -1.08 -1.26 -3.33 116.67 118.01 1bx3 s ASP 118 Ca 0.12 -1.67 0.24 0.00 -0.52 0.00 0.00 52.55 50.72 1bx3 s ASP 118 Cb -0.10 -2.23 1.24 0.00 -1.46 0.00 0.00 42.92 40.36 1bx3 s ASP 118 CO 0.05 -0.91 1.79 -0.03 0.52 0.00 0.00 175.17 176.58 1bx3 h MET 119 N 8.96 0.26 0.00 4.34 1.85 -1.89 0.29 114.93 128.74 1bx3 h MET 119 Ca -0.30 -0.02 -0.10 0.00 -0.61 0.00 0.00 59.70 58.67 1bx3 h MET 119 Cb 1.10 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 33.05 1bx3 h MET 119 CO 1.05 0.17 -0.49 0.93 -0.40 0.00 0.00 176.91 178.18 1bx3 h GLU 120 N 0.27 0.00 -0.38 0.39 5.08 -1.99 0.00 114.58 117.95 1bx3 h GLU 120 Ca 0.58 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.80 1bx3 h GLU 120 Cb 1.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.95 1bx3 h GLU 120 CO -0.21 0.49 -0.29 1.49 -1.00 0.00 0.00 179.01 179.48 1bx3 h GLU 121 N 0.00 0.87 -0.72 2.33 4.81 -0.87 -2.98 114.58 118.02 1bx3 h GLU 121 Ca -0.00 -0.43 -0.04 0.00 -0.13 0.00 0.00 59.36 58.75 1bx3 h GLU 121 Cb 1.00 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 1bx3 h GLU 121 CO 0.06 1.07 0.28 -0.07 -0.73 0.00 0.00 179.01 179.63 1bx3 h LEU 122 N 0.68 1.00 -1.95 1.64 3.38 -0.89 -2.73 115.31 116.43 1bx3 h LEU 122 Ca 0.07 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1bx3 h LEU 122 Cb 0.87 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1bx3 h LEU 122 CO 0.08 0.91 -0.00 -0.33 0.09 0.00 0.00 178.44 179.18 1bx3 h GLU 123 N 1.04 0.02 0.00 1.13 5.08 -0.87 -1.15 114.58 119.83 1bx3 h GLU 123 Ca 0.24 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1bx3 h GLU 123 Cb 0.23 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1bx3 h GLU 123 CO -0.02 0.03 0.00 0.39 -1.00 0.00 0.00 179.01 178.41 1bx3 n GLU 124 N -4.52 0.19 0.06 2.33 -0.58 -1.03 -2.74 120.64 114.35 1bx3 n GLU 124 Ca -0.03 0.13 -0.10 0.00 -0.42 0.00 0.00 57.16 56.75 1bx3 n GLU 124 Cb 0.10 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.34 1bx3 n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1bx3 h ILE 125 N 0.00 1.55 -3.98 -3.67 1.08 -1.30 -3.47 117.51 107.73 1bx3 h ILE 125 Ca 0.00 -3.24 -0.54 0.00 -0.39 0.00 0.00 64.86 60.68 1bx3 h ILE 125 Cb 0.22 2.82 0.12 0.00 -3.07 0.00 0.00 36.82 36.91 1bx3 h ILE 125 CO 0.00 0.91 0.71 -0.70 -0.69 0.00 0.00 178.15 178.38 1bx3 s GLU 126 N -2.68 3.77 0.06 2.37 2.12 -1.11 -5.00 118.70 118.24 1bx3 s GLU 126 Ca -0.01 2.43 -0.16 0.00 0.36 0.00 0.00 54.97 57.59 1bx3 s GLU 126 Cb 0.09 -2.72 -0.06 0.00 0.26 0.00 0.00 34.13 31.70 1bx3 s GLU 126 CO 0.84 -0.75 0.50 -1.21 -0.54 0.00 0.00 175.26 174.10 1bx3 s GLU 127 N -2.38 4.04 0.42 4.30 0.41 -1.26 -5.00 118.70 119.23 1bx3 s GLU 127 Ca 0.59 0.55 -0.25 0.00 -0.41 0.00 0.00 54.97 55.45 1bx3 s GLU 127 Cb -0.44 -3.16 -0.08 0.00 -1.78 0.00 0.00 34.13 28.67 1bx3 s GLU 127 CO 0.57 0.62 1.25 -0.51 -0.49 0.00 0.00 175.26 176.71 1bx3 s ASP 128 N -1.25 6.31 -1.18 -0.19 1.01 -1.26 -4.59 116.67 115.51 1bx3 s ASP 128 Ca 0.29 2.54 -0.12 0.00 0.71 0.00 0.00 52.55 55.97 1bx3 s ASP 128 Cb -0.17 -2.63 0.21 0.00 1.01 0.00 0.00 42.92 41.34 1bx3 s ASP 128 CO 0.17 -0.84 1.35 0.00 0.21 0.00 0.00 175.17 176.06 1bx3 n ALA 129 N 0.01 4.08 -1.61 5.23 0.00 -0.61 -4.88 120.51 122.72 1bx3 n ALA 129 Ca 0.04 -4.40 -0.38 0.00 0.00 0.00 0.00 53.44 48.70 1bx3 n ALA 129 Cb 0.45 -2.84 -0.02 0.00 0.00 0.00 0.00 19.45 17.04 1bx3 n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bx3 n GLY 130 N 3.50 4.65 2.46 0.00 0.00 -1.26 -2.29 105.19 112.25 1bx3 n GLY 130 Ca 0.32 -1.75 -0.28 0.00 0.00 0.00 0.00 46.02 44.31 1bx3 n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bx3 n LEU 131 N 2.59 6.68 -3.44 0.99 4.77 -1.24 -0.35 117.00 127.01 1bx3 n LEU 131 Ca 0.69 -4.07 -0.12 0.00 -0.03 0.00 0.00 56.01 52.48 1bx3 n LEU 131 Cb 0.28 -1.17 -0.02 0.00 -2.33 0.00 0.00 43.42 40.17 1bx3 n LEU 131 CO 0.73 1.65 0.39 -0.83 -1.33 0.00 0.00 177.39 178.01 1bx3 s GLY 132 N 0.02 -0.59 -0.19 -0.72 0.00 -1.26 -0.07 107.32 104.50 1bx3 s GLY 132 Ca 0.54 0.45 -0.12 0.00 0.00 0.00 0.00 44.72 45.59 1bx3 s GLY 132 CO -0.21 0.14 0.15 0.70 0.00 0.00 0.00 173.10 173.88 1bx3 n ASN 133 N -0.38 1.99 0.00 1.64 3.02 -1.26 -4.45 115.26 115.83 1bx3 n ASN 133 Ca -0.17 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1bx3 n ASN 133 Cb 0.65 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 1bx3 n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bx3 n GLY 134 N 1.73 1.16 0.22 7.41 0.00 -1.26 -4.93 105.19 109.53 1bx3 n GLY 134 Ca -0.37 0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1bx3 n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1bx3 h GLY 135 N 0.00 -0.37 0.54 -0.02 0.00 -1.98 -1.79 103.07 99.44 1bx3 h GLY 135 Ca 0.00 0.21 0.06 0.00 0.00 0.00 0.00 47.33 47.60 1bx3 h GLY 135 CO 0.00 -0.17 0.12 -2.00 0.00 0.00 0.00 176.54 174.49 1bx3 h LEU 136 N -0.38 0.09 -0.60 3.11 6.46 -1.99 0.40 115.31 122.40 1bx3 h LEU 136 Ca 0.01 0.06 -0.08 0.00 -0.12 0.00 0.00 57.88 57.75 1bx3 h LEU 136 Cb 0.37 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 1bx3 h LEU 136 CO -0.06 0.08 0.07 1.23 -0.62 0.00 0.00 178.44 179.15 1bx3 h GLY 137 N 0.27 1.09 1.53 3.75 0.00 -1.82 -2.94 103.07 104.96 1bx3 h GLY 137 Ca 0.21 -0.75 -0.12 0.00 0.00 0.00 0.00 47.33 46.68 1bx3 h GLY 137 CO -0.24 0.69 -0.34 -0.09 0.00 0.00 0.00 176.54 176.56 1bx3 h ARG 138 N 0.91 0.52 -0.74 4.80 9.65 -0.96 -1.49 114.38 127.08 1bx3 h ARG 138 Ca 0.18 -0.24 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 1bx3 h ARG 138 Cb 0.46 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.99 1bx3 h ARG 138 CO 0.02 0.79 0.35 1.25 2.80 0.00 0.00 179.97 185.19 1bx3 h LEU 139 N 0.45 0.95 -0.79 3.80 5.85 -0.81 -0.10 115.31 124.66 1bx3 h LEU 139 Ca 0.05 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 1bx3 h LEU 139 Cb 0.80 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1bx3 h LEU 139 CO 0.07 0.80 0.10 0.00 -0.34 0.00 0.00 178.44 179.07 1bx3 h ALA 140 N 1.34 1.00 -0.41 1.25 0.00 -1.33 0.18 119.26 121.29 1bx3 h ALA 140 Ca 0.25 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1bx3 h ALA 140 Cb 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1bx3 h ALA 140 CO -0.03 0.63 -0.09 0.00 0.00 0.00 0.00 179.25 179.76 1bx3 h ALA 141 N 1.15 0.56 -0.18 0.00 0.00 -1.07 -1.23 119.26 118.49 1bx3 h ALA 141 Ca 0.19 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1bx3 h ALA 141 Cb 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1bx3 h ALA 141 CO 0.01 0.42 -0.44 0.00 0.00 0.00 0.00 179.25 179.24 1bx3 h PHE 143 N 0.36 0.66 -0.48 0.00 -1.00 -0.45 -0.97 116.94 115.06 1bx3 h PHE 143 Ca 0.03 -0.08 0.05 0.00 2.81 0.00 0.00 57.97 60.77 1bx3 h PHE 143 Cb 0.92 -0.18 -0.04 0.00 3.61 0.00 0.00 35.95 40.25 1bx3 h PHE 143 CO 0.03 0.65 0.22 -0.07 -1.61 0.00 0.00 178.31 177.53 1bx3 h LEU 144 N 0.48 0.30 -0.62 1.54 3.38 -1.13 0.28 115.31 119.55 1bx3 h LEU 144 Ca 0.12 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1bx3 h LEU 144 Cb 0.33 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1bx3 h LEU 144 CO 0.00 0.21 0.41 -0.78 0.09 0.00 0.00 178.44 178.37 1bx3 h ASP 145 N 0.44 0.70 0.09 -0.43 1.82 -1.30 -2.08 116.42 115.66 1bx3 h ASP 145 Ca 0.22 -0.02 -0.19 0.00 -0.39 0.00 0.00 57.03 56.65 1bx3 h ASP 145 Cb 0.15 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 39.99 1bx3 h ASP 145 CO -0.17 0.51 -0.68 0.28 -1.61 0.00 0.00 179.24 177.57 1bx3 h SER 146 N 0.83 0.63 0.17 2.28 0.02 -0.48 -1.86 113.55 115.15 1bx3 h SER 146 Ca 0.23 -0.39 -0.06 0.00 -0.84 0.00 0.00 61.79 60.73 1bx3 h SER 146 Cb -0.09 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 1bx3 h SER 146 CO -0.05 1.13 -0.22 0.24 -1.14 0.00 0.00 176.83 176.79 1bx3 h MET 147 N 0.39 0.10 -0.02 3.45 2.86 -0.28 0.14 114.93 121.56 1bx3 h MET 147 Ca -0.02 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 1bx3 h MET 147 Cb 1.26 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.92 1bx3 h MET 147 CO 0.13 0.32 -0.42 0.00 1.06 0.00 0.00 176.91 178.00 1bx3 h ALA 148 N 1.68 0.08 0.00 6.32 0.00 -1.27 -1.23 119.26 124.86 1bx3 h ALA 148 Ca 0.02 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1bx3 h ALA 148 Cb 0.45 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1bx3 h ALA 148 CO 0.03 0.23 -0.10 1.15 0.00 0.00 0.00 179.25 180.56 1bx3 h THR 149 N -0.22 0.54 -0.51 0.00 2.02 -0.96 -1.83 112.91 111.94 1bx3 h THR 149 Ca -0.05 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1bx3 h THR 149 Cb 1.12 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1bx3 h THR 149 CO 0.08 0.10 0.00 0.18 0.37 0.00 0.00 175.52 176.26 1bx3 n LEU 150 N -3.64 4.22 -2.24 2.58 4.32 0.45 -4.57 117.00 118.13 1bx3 n LEU 150 Ca -0.02 -2.13 -0.18 0.00 -0.02 0.00 0.00 56.01 53.66 1bx3 n LEU 150 Cb 0.22 -0.56 -0.02 0.00 -1.62 0.00 0.00 43.42 41.44 1bx3 n LEU 150 CO 0.30 0.64 -0.22 0.61 -1.22 0.00 0.00 177.39 177.49 1bx3 n GLY 151 N 0.84 -0.05 3.82 -0.72 0.00 -0.69 -1.21 105.19 107.18 1bx3 n GLY 151 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1bx3 n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bx3 s LEU 152 N -5.60 4.42 -1.36 0.99 1.43 -0.47 -4.77 118.68 113.31 1bx3 s LEU 152 Ca 0.00 1.25 -0.14 0.00 -1.03 0.00 0.00 54.13 54.21 1bx3 s LEU 152 Cb 0.00 -3.22 0.09 0.00 0.03 0.00 0.00 46.19 43.09 1bx3 s LEU 152 CO 0.00 0.15 1.98 0.00 0.23 0.00 0.00 176.35 178.71 1bx3 n ALA 153 N 1.13 4.97 -2.75 4.21 0.00 -1.26 -4.68 120.51 122.13 1bx3 n ALA 153 Ca -0.06 -4.01 -0.35 0.00 0.00 0.00 0.00 53.44 49.01 1bx3 n ALA 153 Cb 0.51 -3.37 -0.08 0.00 0.00 0.00 0.00 19.45 16.51 1bx3 n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bx3 s ALA 154 N 2.56 3.49 -0.19 0.00 0.00 -1.26 -1.37 121.76 124.99 1bx3 s ALA 154 Ca 0.46 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1bx3 s ALA 154 Cb 0.09 -1.62 0.04 0.00 0.00 0.00 0.00 23.12 21.64 1bx3 s ALA 154 CO -0.03 0.61 -0.09 0.71 0.00 0.00 0.00 175.76 176.97 1bx3 s TYR 155 N -0.98 2.18 0.03 0.00 1.51 0.23 -4.21 117.35 116.12 1bx3 s TYR 155 Ca 0.15 -1.42 -0.29 0.00 -1.01 0.00 0.00 57.07 54.51 1bx3 s TYR 155 Cb -0.12 -1.53 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1bx3 s TYR 155 CO 0.05 -0.70 0.91 0.20 -1.11 0.00 0.00 175.55 174.90 1bx3 s GLY 156 N 1.47 2.89 -0.09 0.71 0.00 -0.87 -1.25 107.32 110.19 1bx3 s GLY 156 Ca -0.01 0.47 0.01 0.00 0.00 0.00 0.00 44.72 45.19 1bx3 s GLY 156 CO -0.08 1.49 -0.09 -0.19 0.00 0.00 0.00 173.10 174.23 1bx3 s TYR 157 N 0.55 1.38 0.00 1.90 1.51 -0.70 0.72 117.35 122.71 1bx3 s TYR 157 Ca 0.47 -0.60 0.00 0.00 -1.01 0.00 0.00 57.07 55.93 1bx3 s TYR 157 Cb -0.21 -1.11 0.00 0.00 -0.11 0.00 0.00 41.96 40.53 1bx3 s TYR 157 CO 0.27 -0.40 0.00 0.41 -1.11 0.00 0.00 175.55 174.72 1bx3 n GLY 158 N 4.50 3.88 3.22 0.71 0.00 0.01 -2.24 105.19 115.27 1bx3 n GLY 158 Ca -0.17 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 1bx3 n GLY 158 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1bx3 s ILE 159 N -1.18 1.73 -1.12 -0.61 2.07 -1.26 -1.06 121.20 119.76 1bx3 s ILE 159 Ca 0.00 -0.91 -0.17 0.00 -1.41 0.00 0.00 60.65 58.16 1bx3 s ILE 159 Cb 0.00 -1.45 0.13 0.00 0.13 0.00 0.00 42.46 41.27 1bx3 s ILE 159 CO 0.00 0.49 1.39 -0.60 -1.91 0.00 0.00 174.94 174.30 1bx3 s ARG 160 N -0.29 3.87 0.30 3.50 3.52 -0.16 -4.75 118.95 124.94 1bx3 s ARG 160 Ca 0.03 -2.09 -0.29 0.00 -0.13 0.00 0.00 55.73 53.24 1bx3 s ARG 160 Cb -0.10 -5.12 -0.11 0.00 -1.56 0.00 0.00 34.95 28.06 1bx3 s ARG 160 CO 0.01 -1.89 1.50 0.71 -0.81 0.00 0.00 175.30 174.82 1bx3 s TYR 161 N 2.67 2.83 0.25 5.12 2.02 -1.25 -4.76 117.35 124.22 1bx3 s TYR 161 Ca 0.42 1.00 0.03 0.00 -0.37 0.00 0.00 57.07 58.15 1bx3 s TYR 161 Cb -0.02 -3.94 0.30 0.00 -0.40 0.00 0.00 41.96 37.89 1bx3 s TYR 161 CO -0.03 -3.01 1.60 1.49 -1.57 0.00 0.00 175.55 174.04 1bx3 h GLU 162 N 4.36 0.32 -4.56 -0.62 4.81 -0.16 -3.41 114.58 115.32 1bx3 h GLU 162 Ca -0.48 -0.19 -0.58 0.00 -0.13 0.00 0.00 59.36 57.99 1bx3 h GLU 162 Cb 1.22 0.01 -0.36 0.00 0.63 0.00 0.00 28.75 30.26 1bx3 h GLU 162 CO 0.74 0.75 -0.82 -0.06 -0.73 0.00 0.00 179.01 178.89 1bx3 s PHE 163 N -3.98 1.92 0.00 0.92 0.08 0.90 -4.34 117.98 113.48 1bx3 s PHE 163 Ca -0.05 -1.01 0.00 0.00 0.12 0.00 0.00 56.93 55.99 1bx3 s PHE 163 Cb 0.12 -1.45 0.00 0.00 -0.57 0.00 0.00 43.02 41.13 1bx3 s PHE 163 CO 0.80 -0.58 0.00 0.41 -0.10 0.00 0.00 175.22 175.75 1bx3 n GLY 164 N 4.68 1.03 3.71 4.36 0.00 -1.23 -1.52 105.19 116.22 1bx3 n GLY 164 Ca -0.16 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1bx3 n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1bx3 s ILE 165 N 0.60 2.32 0.42 -0.61 1.10 0.53 -4.43 121.20 121.13 1bx3 s ILE 165 Ca 0.00 0.15 -0.23 0.00 -0.51 0.00 0.00 60.65 60.06 1bx3 s ILE 165 Cb 0.00 -3.10 -0.12 0.00 0.15 0.00 0.00 42.46 39.40 1bx3 s ILE 165 CO 0.00 0.01 0.74 2.22 -2.11 0.00 0.00 174.94 175.80 1bx3 n PHE 166 N 4.38 0.20 -2.77 3.50 -1.74 -1.26 -4.62 117.46 115.14 1bx3 n PHE 166 Ca 0.16 0.59 -0.42 0.00 -0.56 0.00 0.00 57.45 57.22 1bx3 n PHE 166 Cb 0.37 -2.09 -0.03 0.00 1.52 0.00 0.00 39.48 39.25 1bx3 n PHE 166 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 1bx3 s ASN 167 N -0.88 7.06 0.01 5.98 0.02 -0.45 -4.88 114.94 121.79 1bx3 s ASN 167 Ca 0.64 1.31 -0.20 0.00 -1.02 0.00 0.00 52.86 53.58 1bx3 s ASN 167 Cb -0.59 -2.50 -0.06 0.00 0.02 0.00 0.00 41.25 38.12 1bx3 s ASN 167 CO 0.57 -0.50 0.58 -1.58 0.02 0.00 0.00 177.10 176.19 1bx3 s GLN 168 N 2.49 4.27 0.00 -0.60 0.74 -1.26 -1.88 119.66 123.42 1bx3 s GLN 168 Ca 0.42 0.71 0.07 0.00 0.05 0.00 0.00 55.36 56.61 1bx3 s GLN 168 Cb -0.16 -3.31 -0.02 0.00 1.10 0.00 0.00 33.01 30.61 1bx3 s GLN 168 CO 0.11 0.44 -0.23 0.15 -0.55 0.00 0.00 175.29 175.22 1bx3 s LYS 169 N -0.43 1.73 -0.36 1.67 1.02 -0.13 -3.69 119.74 119.55 1bx3 s LYS 169 Ca 0.30 -0.88 -0.10 0.00 0.02 0.00 0.00 55.97 55.31 1bx3 s LYS 169 Cb -0.18 -1.74 0.03 0.00 -0.52 0.00 0.00 37.83 35.41 1bx3 s LYS 169 CO 0.17 0.47 0.17 0.42 -0.92 0.00 0.00 175.35 175.66 1bx3 s ILE 170 N -0.63 4.38 -0.19 2.17 -1.09 -1.26 0.13 121.20 124.71 1bx3 s ILE 170 Ca 0.09 -0.87 0.01 0.00 -2.23 0.00 0.00 60.65 57.66 1bx3 s ILE 170 Cb -0.09 -3.42 0.03 0.00 -1.58 0.00 0.00 42.46 37.40 1bx3 s ILE 170 CO 0.00 -0.18 -0.18 0.00 -1.23 0.00 0.00 174.94 173.36 1bx3 n GLY 172 N 4.61 0.03 2.77 0.00 0.00 -1.26 -0.95 105.19 110.39 1bx3 n GLY 172 Ca -0.19 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1bx3 n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bx3 n GLY 173 N -0.98 1.39 3.80 -0.02 0.00 -1.26 -5.02 105.19 103.11 1bx3 n GLY 173 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 1bx3 n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bx3 s TRP 174 N -3.62 3.29 0.22 1.61 0.52 -0.12 -3.96 118.94 116.87 1bx3 s TRP 174 Ca 0.00 0.17 -0.30 0.00 0.02 0.00 0.00 56.10 55.99 1bx3 s TRP 174 Cb 0.00 -1.70 -0.08 0.00 -1.15 0.00 0.00 33.47 30.54 1bx3 s TRP 174 CO 0.00 0.55 1.06 -1.14 0.02 0.00 0.00 176.95 177.44 1bx3 s GLN 175 N -2.11 4.66 0.00 4.98 0.74 -1.26 0.24 119.66 126.91 1bx3 s GLN 175 Ca 0.27 1.69 0.07 0.00 0.05 0.00 0.00 55.36 57.44 1bx3 s GLN 175 Cb -0.12 -3.26 -0.02 0.00 1.10 0.00 0.00 33.01 30.71 1bx3 s GLN 175 CO 0.19 0.20 -0.21 -1.64 -0.55 0.00 0.00 175.29 173.28 1bx3 s MET 176 N -0.83 1.64 -0.18 1.67 -1.94 0.34 -4.87 119.30 115.12 1bx3 s MET 176 Ca 0.46 -0.82 -0.06 0.00 -1.71 0.00 0.00 55.69 53.57 1bx3 s MET 176 Cb -0.29 -1.63 -0.03 0.00 2.01 0.00 0.00 34.83 34.88 1bx3 s MET 176 CO 0.36 0.44 0.01 -1.21 -0.01 0.00 0.00 175.02 174.61 1bx3 s GLU 177 N -0.70 3.76 0.10 2.03 8.01 -1.26 -0.96 118.70 129.68 1bx3 s GLU 177 Ca 0.08 -0.46 0.09 0.00 0.01 0.00 0.00 54.97 54.69 1bx3 s GLU 177 Cb -0.08 -3.09 -0.03 0.00 -4.31 0.00 0.00 34.13 26.61 1bx3 s GLU 177 CO -0.00 0.16 -0.23 -1.21 0.01 0.00 0.00 175.26 173.99 1bx3 s GLU 178 N 0.62 1.29 0.40 1.61 2.02 -0.79 -4.99 118.70 118.87 1bx3 s GLU 178 Ca 0.00 -1.18 -0.27 0.00 0.02 0.00 0.00 54.97 53.54 1bx3 s GLU 178 Cb -0.14 -1.59 -0.10 0.00 0.10 0.00 0.00 34.13 32.40 1bx3 s GLU 178 CO 0.02 0.38 1.42 0.00 0.02 0.00 0.00 175.26 177.10 1bx3 s ALA 179 N -1.06 3.40 -1.10 5.21 0.00 -1.26 -1.35 121.76 125.61 1bx3 s ALA 179 Ca 0.09 1.46 -0.11 0.00 0.00 0.00 0.00 51.96 53.40 1bx3 s ALA 179 Cb -0.10 -3.57 0.25 0.00 0.00 0.00 0.00 23.12 19.70 1bx3 s ALA 179 CO 0.04 -1.04 1.13 0.34 0.00 0.00 0.00 175.76 176.24 1bx3 s ASP 180 N -0.39 7.21 -1.27 0.00 2.15 -1.26 -4.54 116.67 118.56 1bx3 s ASP 180 Ca 0.56 -3.36 -0.18 0.00 0.43 0.00 0.00 52.55 50.00 1bx3 s ASP 180 Cb -0.44 -2.25 0.01 0.00 -0.30 0.00 0.00 42.92 39.94 1bx3 s ASP 180 CO 0.58 -0.42 1.96 -0.67 -0.17 0.00 0.00 175.17 176.45 1bx3 n ASP 181 N 3.44 4.01 0.12 -0.34 2.03 -1.26 -3.54 116.55 121.02 1bx3 n ASP 181 Ca 0.25 -2.83 0.13 0.00 0.52 0.00 0.00 54.79 52.86 1bx3 n ASP 181 Cb 0.41 -1.64 0.40 0.00 -0.72 0.00 0.00 41.12 39.57 1bx3 n ASP 181 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1bx3 h TRP 182 N 7.33 0.00 -0.44 -0.67 5.08 -1.91 -3.20 115.95 122.14 1bx3 h TRP 182 Ca 0.46 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.43 1bx3 h TRP 182 Cb 0.77 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.93 1bx3 h TRP 182 CO 1.39 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 179.83 1bx3 n LEU 183 N -2.36 3.51 -0.28 0.11 4.77 -1.26 -4.61 117.00 116.87 1bx3 n LEU 183 Ca 0.05 -1.55 0.10 0.00 -0.03 0.00 0.00 56.01 54.58 1bx3 n LEU 183 Cb 0.41 -0.29 0.25 0.00 -2.33 0.00 0.00 43.42 41.47 1bx3 n LEU 183 CO 0.29 0.78 0.93 -0.09 -1.33 0.00 0.00 177.39 177.97 1bx3 h ARG 184 N 4.42 0.22 -0.51 3.23 2.43 -1.95 0.11 114.38 122.34 1bx3 h ARG 184 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1bx3 h ARG 184 Cb 0.98 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1bx3 h ARG 184 CO 0.00 0.15 0.00 0.66 -1.51 0.00 0.00 179.97 179.27 1bx3 n TYR 185 N -5.21 1.37 0.00 2.20 4.01 -1.26 -5.07 117.16 113.20 1bx3 n TYR 185 Ca 0.19 -0.69 0.00 0.00 -0.16 0.00 0.00 57.90 57.24 1bx3 n TYR 185 Cb 0.60 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 1bx3 n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bx3 n GLY 186 N 0.56 -0.89 2.84 2.72 0.00 0.37 -4.92 105.19 105.88 1bx3 n GLY 186 Ca 0.24 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 1bx3 n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bx3 s ASN 187 N -3.27 3.69 0.00 1.61 3.84 -1.26 -4.78 114.94 114.77 1bx3 s ASN 187 Ca 0.00 -1.25 0.20 0.00 0.21 0.00 0.00 52.86 52.02 1bx3 s ASN 187 Cb 0.00 -0.97 1.01 0.00 -0.55 0.00 0.00 41.25 40.73 1bx3 s ASN 187 CO 0.00 -0.31 1.63 -0.81 -2.79 0.00 0.00 177.10 174.82 1bx3 n PRO 188 N 4.79 0.28 -0.06 0.43 -0.04 -1.26 -3.79 135.00 135.35 1bx3 n PRO 188 Ca -0.08 0.10 -0.20 0.00 -0.04 0.00 0.00 63.50 63.28 1bx3 n PRO 188 Cb 0.44 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.27 1bx3 n PRO 188 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1bx3 n TRP 189 N -1.29 0.69 -1.80 0.54 7.02 -1.26 -4.89 117.44 116.45 1bx3 n TRP 189 Ca 0.09 0.16 -0.32 0.00 -1.02 0.00 0.00 57.50 56.40 1bx3 n TRP 189 Cb 0.16 -1.09 0.04 0.00 -2.42 0.00 0.00 31.31 28.00 1bx3 n TRP 189 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 1bx3 s GLU 190 N -2.53 2.97 -0.22 -0.99 -1.05 -1.25 -4.42 118.70 111.21 1bx3 s GLU 190 Ca -0.28 1.24 0.00 0.00 -0.15 0.00 0.00 54.97 55.78 1bx3 s GLU 190 Cb 0.08 -1.98 0.06 0.00 -0.44 0.00 0.00 34.13 31.84 1bx3 s GLU 190 CO 0.68 -1.10 -0.05 0.21 0.95 0.00 0.00 175.26 175.96 1bx3 s LYS 191 N -4.28 1.51 0.38 -4.83 2.47 0.55 -4.95 119.74 110.59 1bx3 s LYS 191 Ca 0.64 -0.85 -0.27 0.00 -1.56 0.00 0.00 55.97 53.92 1bx3 s LYS 191 Cb -0.18 -2.45 -0.10 0.00 -1.46 0.00 0.00 37.83 33.65 1bx3 s LYS 191 CO 0.43 -0.57 1.37 0.00 0.16 0.00 0.00 175.35 176.73 1bx3 s ALA 192 N 1.48 3.40 -0.48 3.13 0.00 -1.26 -1.36 121.76 126.67 1bx3 s ALA 192 Ca -0.04 1.36 0.08 0.00 0.00 0.00 0.00 51.96 53.36 1bx3 s ALA 192 Cb -0.18 -3.53 0.30 0.00 0.00 0.00 0.00 23.12 19.71 1bx3 s ALA 192 CO -0.07 -0.88 0.72 0.54 0.00 0.00 0.00 175.76 176.08 1bx3 n ARG 193 N 0.36 1.75 0.19 0.00 5.12 -0.26 -4.91 116.66 118.90 1bx3 n ARG 193 Ca 0.02 -3.95 0.17 0.00 -1.93 0.00 0.00 57.85 52.16 1bx3 n ARG 193 Cb 0.42 -1.81 0.81 0.00 -1.16 0.00 0.00 32.46 30.72 1bx3 n ARG 193 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1bx3 h PRO 194 N 3.53 0.00 0.00 5.56 0.13 -1.94 -0.80 132.00 138.48 1bx3 h PRO 194 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1bx3 h PRO 194 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1bx3 h PRO 194 CO 0.64 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.46 1bx3 h GLU 195 N 0.00 0.00 -0.49 0.86 9.09 -1.94 -2.88 114.58 119.21 1bx3 h GLU 195 Ca 0.10 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.35 1bx3 h GLU 195 Cb 0.54 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 27.54 1bx3 h GLU 195 CO -0.00 0.00 0.11 1.19 0.05 0.00 0.00 179.01 180.36 1bx3 n PHE 196 N -2.97 1.62 -2.16 2.06 3.72 -0.31 -5.01 117.46 114.41 1bx3 n PHE 196 Ca 0.00 -1.27 -0.41 0.00 -0.05 0.00 0.00 57.45 55.72 1bx3 n PHE 196 Cb 0.26 -0.53 -0.03 0.00 -0.94 0.00 0.00 39.48 38.24 1bx3 n PHE 196 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1bx3 s THR 197 N -3.05 2.89 0.15 4.37 2.01 -1.09 -4.62 115.64 116.30 1bx3 s THR 197 Ca 0.48 0.84 0.08 0.00 0.31 0.00 0.00 61.69 63.40 1bx3 s THR 197 Cb 0.40 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 1bx3 s THR 197 CO 0.08 0.18 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.25 1bx3 s LEU 198 N -1.25 2.42 0.03 4.42 1.43 -0.67 -4.93 118.68 120.13 1bx3 s LEU 198 Ca 0.51 -0.83 -0.22 0.00 -1.03 0.00 0.00 54.13 52.56 1bx3 s LEU 198 Cb -0.39 -0.74 -0.06 0.00 0.03 0.00 0.00 46.19 45.03 1bx3 s LEU 198 CO 0.48 -0.06 0.66 -2.16 0.23 0.00 0.00 176.35 175.49 1bx3 s PRO 199 N -2.69 4.37 -0.07 1.29 0.04 -1.26 0.56 135.00 137.24 1bx3 s PRO 199 Ca 0.13 0.87 0.05 0.00 0.04 0.00 0.00 61.00 62.09 1bx3 s PRO 199 Cb -0.06 -3.33 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 1bx3 s PRO 199 CO 0.05 0.40 -0.24 0.08 0.04 0.00 0.00 177.00 177.33 1bx3 s VAL 200 N -0.36 1.97 0.01 -0.36 1.01 0.54 -4.87 120.40 118.35 1bx3 s VAL 200 Ca 0.33 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1bx3 s VAL 200 Cb -0.19 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1bx3 s VAL 200 CO 0.20 0.55 0.16 -1.00 0.00 0.00 0.00 175.10 175.01 1bx3 s HIS 201 N 0.07 3.47 0.05 5.22 3.76 -1.26 -0.33 115.29 126.27 1bx3 s HIS 201 Ca -0.10 0.30 0.01 0.00 -0.15 0.00 0.00 55.06 55.12 1bx3 s HIS 201 Cb -0.15 -1.79 -0.03 0.00 1.11 0.00 0.00 32.58 31.72 1bx3 s HIS 201 CO 0.06 0.61 -0.06 -0.06 -0.85 0.00 0.00 174.74 174.44 1bx3 s PHE 202 N -1.33 0.62 0.00 1.40 0.08 -0.34 -4.96 117.98 113.44 1bx3 s PHE 202 Ca 0.28 -0.65 0.00 0.00 0.12 0.00 0.00 56.93 56.68 1bx3 s PHE 202 Cb -0.13 -0.38 0.00 0.00 -0.57 0.00 0.00 43.02 41.94 1bx3 s PHE 202 CO 0.19 -0.15 0.00 0.66 -0.10 0.00 0.00 175.22 175.83 1bx3 n TYR 203 N 1.04 0.00 -4.02 0.36 4.01 0.30 -1.04 117.16 117.82 1bx3 n TYR 203 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1bx3 n TYR 203 Cb 0.57 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 1bx3 n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bx3 n GLY 204 N 0.00 -1.19 3.73 2.72 0.00 -1.23 -4.57 105.19 104.65 1bx3 n GLY 204 Ca 0.00 -1.25 -0.08 0.00 0.00 0.00 0.00 46.02 44.69 1bx3 n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1bx3 s ARG 205 N 0.00 1.65 -0.13 1.61 1.70 -0.21 -4.86 118.95 118.72 1bx3 s ARG 205 Ca 0.00 -1.00 -0.04 0.00 -0.47 0.00 0.00 55.73 54.23 1bx3 s ARG 205 Cb 0.00 0.57 -0.03 0.00 -0.57 0.00 0.00 34.95 34.91 1bx3 s ARG 205 CO 0.00 -0.74 0.00 0.08 -1.08 0.00 0.00 175.30 173.57 1bx3 s VAL 206 N -3.92 4.29 -0.21 4.99 1.01 -1.26 -1.32 120.40 123.97 1bx3 s VAL 206 Ca 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 1bx3 s VAL 206 Cb -0.04 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1bx3 s VAL 206 CO 0.05 0.54 -0.08 -1.61 0.00 0.00 0.00 175.10 174.00 1bx3 s GLU 207 N -0.24 3.22 -0.53 2.72 2.02 0.61 -4.93 118.70 121.58 1bx3 s GLU 207 Ca 0.06 -0.72 -0.16 0.00 0.02 0.00 0.00 54.97 54.17 1bx3 s GLU 207 Cb -0.12 -2.90 0.13 0.00 0.10 0.00 0.00 34.13 31.33 1bx3 s GLU 207 CO 0.02 -0.22 0.49 -1.01 0.02 0.00 0.00 175.26 174.55 1bx3 s HIS 208 N 1.42 3.26 0.00 1.61 3.76 -1.26 0.27 115.29 124.34 1bx3 s HIS 208 Ca 0.05 -1.28 0.00 0.00 -0.15 0.00 0.00 55.06 53.68 1bx3 s HIS 208 Cb -0.14 -3.74 0.00 0.00 1.11 0.00 0.00 32.58 29.81 1bx3 s HIS 208 CO -0.06 -1.00 0.00 0.25 -0.85 0.00 0.00 174.74 173.08 1bx3 n THR 209 N 5.24 0.00 -0.09 1.30 -2.24 -0.14 -4.94 114.28 113.40 1bx3 n THR 209 Ca -0.14 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.73 1bx3 n THR 209 Cb 0.40 0.00 0.28 0.00 -2.10 0.00 0.00 70.33 68.92 1bx3 n THR 209 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1bx3 n SER 210 N 0.00 3.69 -0.00 3.42 2.88 -1.26 -3.46 113.62 118.89 1bx3 n SER 210 Ca 0.00 -2.23 0.00 0.00 -1.33 0.00 0.00 58.87 55.31 1bx3 n SER 210 Cb 0.00 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 1bx3 n SER 210 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bx3 n GLN 211 N 1.01 1.61 0.00 -1.46 6.02 -1.26 -5.12 117.38 118.17 1bx3 n GLN 211 Ca 0.21 -1.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.16 1bx3 n GLN 211 Cb 0.66 -0.77 0.00 0.00 1.02 0.00 0.00 30.24 31.15 1bx3 n GLN 211 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bx3 n GLY 212 N -0.27 -1.71 3.78 1.08 0.00 -1.23 -5.01 105.19 101.84 1bx3 n GLY 212 Ca 0.00 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 1bx3 n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bx3 s ALA 213 N -2.00 2.48 -0.14 4.61 0.00 -1.26 -0.97 121.76 124.49 1bx3 s ALA 213 Ca 0.00 0.46 -0.06 0.00 0.00 0.00 0.00 51.96 52.36 1bx3 s ALA 213 Cb 0.00 -3.29 0.06 0.00 0.00 0.00 0.00 23.12 19.89 1bx3 s ALA 213 CO 0.00 -1.29 0.30 0.21 0.00 0.00 0.00 175.76 174.99 1bx3 s LYS 214 N -4.26 0.23 -0.39 0.00 2.20 0.14 -4.89 119.74 112.78 1bx3 s LYS 214 Ca 0.65 0.72 -0.21 0.00 -0.36 0.00 0.00 55.97 56.78 1bx3 s LYS 214 Cb -0.19 -0.02 0.01 0.00 -1.51 0.00 0.00 37.83 36.12 1bx3 s LYS 214 CO 0.44 -0.22 0.64 -0.46 -0.36 0.00 0.00 175.35 175.39 1bx3 s TRP 215 N 1.86 3.11 0.34 4.03 -0.00 -1.26 -0.28 118.94 126.74 1bx3 s TRP 215 Ca -0.05 0.19 0.04 0.00 -0.00 0.00 0.00 56.10 56.28 1bx3 s TRP 215 Cb -0.11 -3.23 -0.06 0.00 -0.00 0.00 0.00 33.47 30.07 1bx3 s TRP 215 CO -0.10 -0.73 0.06 0.14 -0.00 0.00 0.00 176.95 176.33 1bx3 s VAL 216 N 2.76 1.19 -1.47 5.86 -7.23 -0.44 -4.85 120.40 116.21 1bx3 s VAL 216 Ca 0.24 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.33 1bx3 s VAL 216 Cb -0.14 -2.76 0.02 0.00 0.56 0.00 0.00 36.38 34.06 1bx3 s VAL 216 CO 0.17 0.00 0.78 0.47 -0.31 0.00 0.00 175.10 176.20 1bx3 n ASP 217 N -0.76 -5.74 -4.95 4.85 8.00 -1.26 -1.04 116.55 115.65 1bx3 n ASP 217 Ca -0.03 -0.42 -0.24 0.00 0.71 0.00 0.00 54.79 54.82 1bx3 n ASP 217 Cb 0.66 -4.61 0.01 0.00 -0.02 0.00 0.00 41.12 37.17 1bx3 n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1bx3 s THR 218 N -3.19 4.08 -0.16 -3.53 -4.23 -1.26 -3.56 115.64 103.79 1bx3 s THR 218 Ca 0.43 -0.41 -0.08 0.00 -1.18 0.00 0.00 61.69 60.45 1bx3 s THR 218 Cb -0.20 -3.52 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 1bx3 s THR 218 CO 0.53 -0.39 0.12 -1.10 -0.54 0.00 0.00 174.62 173.24 1bx3 s GLN 219 N -4.59 3.81 -0.09 3.99 -0.21 -0.21 -4.89 119.66 117.48 1bx3 s GLN 219 Ca 0.48 -0.21 -0.10 0.00 0.02 0.00 0.00 55.36 55.56 1bx3 s GLN 219 Cb -0.10 -3.28 -0.05 0.00 1.00 0.00 0.00 33.01 30.59 1bx3 s GLN 219 CO 0.39 0.51 0.23 0.08 -2.12 0.00 0.00 175.29 174.37 1bx3 s VAL 220 N -0.25 5.35 -0.13 1.09 1.01 -1.26 -1.20 120.40 125.01 1bx3 s VAL 220 Ca 0.10 0.42 -0.01 0.00 0.00 0.00 0.00 61.98 62.50 1bx3 s VAL 220 Cb -0.12 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.79 1bx3 s VAL 220 CO 0.01 0.60 -0.06 -0.69 0.00 0.00 0.00 175.10 174.95 1bx3 s VAL 221 N -0.96 1.02 0.36 2.92 1.01 0.55 -4.32 120.40 120.98 1bx3 s VAL 221 Ca 0.18 -0.39 -0.25 0.00 0.00 0.00 0.00 61.98 61.52 1bx3 s VAL 221 Cb -0.13 -1.10 -0.10 0.00 0.00 0.00 0.00 36.38 35.04 1bx3 s VAL 221 CO 0.07 0.27 0.97 -0.76 0.00 0.00 0.00 175.10 175.65 1bx3 s LEU 222 N 1.70 4.22 -0.29 3.92 1.43 0.15 -0.34 118.68 129.46 1bx3 s LEU 222 Ca 0.03 1.85 -0.03 0.00 -1.03 0.00 0.00 54.13 54.95 1bx3 s LEU 222 Cb -0.14 -4.16 0.04 0.00 0.03 0.00 0.00 46.19 41.97 1bx3 s LEU 222 CO -0.08 -0.21 0.01 0.00 0.23 0.00 0.00 176.35 176.30 1bx3 s ALA 223 N -1.74 2.85 -0.27 4.21 0.00 0.19 -0.64 121.76 126.36 1bx3 s ALA 223 Ca 0.54 -1.66 -0.14 0.00 0.00 0.00 0.00 51.96 50.70 1bx3 s ALA 223 Cb -0.17 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.95 1bx3 s ALA 223 CO 0.22 -1.15 0.32 1.41 0.00 0.00 0.00 175.76 176.57 1bx3 s MET 224 N 1.32 4.01 0.25 0.00 1.75 0.11 -1.68 119.30 125.05 1bx3 s MET 224 Ca -0.03 -0.05 -0.26 0.00 -1.25 0.00 0.00 55.69 54.10 1bx3 s MET 224 Cb -0.19 -3.65 -0.09 0.00 2.84 0.00 0.00 34.83 33.74 1bx3 s MET 224 CO -0.01 -0.24 0.88 -1.25 -0.65 0.00 0.00 175.02 173.75 1bx3 s PRO 225 N 1.95 4.63 -0.13 4.11 0.04 -1.26 -0.07 135.00 144.27 1bx3 s PRO 225 Ca 0.13 1.29 -0.00 0.00 0.04 0.00 0.00 61.00 62.46 1bx3 s PRO 225 Cb -0.16 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 31.34 1bx3 s PRO 225 CO 0.10 0.44 -0.10 0.71 0.04 0.00 0.00 177.00 178.18 1bx3 s TYR 226 N -1.36 1.80 -0.20 0.56 1.51 -0.36 -1.10 117.35 118.19 1bx3 s TYR 226 Ca 0.43 -0.97 -0.09 0.00 -1.01 0.00 0.00 57.07 55.44 1bx3 s TYR 226 Cb -0.22 -1.40 -0.04 0.00 -0.11 0.00 0.00 41.96 40.19 1bx3 s TYR 226 CO 0.27 -0.59 0.10 -0.51 -1.11 0.00 0.00 175.55 173.71 1bx3 s ASP 227 N 1.61 5.87 -0.07 2.29 1.11 -0.47 -1.31 116.67 125.70 1bx3 s ASP 227 Ca 0.05 0.12 0.03 0.00 0.18 0.00 0.00 52.55 52.93 1bx3 s ASP 227 Cb -0.13 -2.03 -0.02 0.00 1.07 0.00 0.00 42.92 41.82 1bx3 s ASP 227 CO -0.09 0.15 -0.17 -0.89 1.18 0.00 0.00 175.17 175.35 1bx3 s THR 228 N 0.53 2.79 0.38 -1.27 2.01 -0.24 -0.33 115.64 119.50 1bx3 s THR 228 Ca 0.05 -0.80 -0.26 0.00 0.31 0.00 0.00 61.69 61.00 1bx3 s THR 228 Cb -0.12 -2.10 -0.09 0.00 0.01 0.00 0.00 72.50 70.21 1bx3 s THR 228 CO 0.00 0.57 1.15 -2.16 -0.69 0.00 0.00 174.62 173.49 1bx3 s PRO 229 N -0.29 4.17 -0.38 4.92 0.04 -1.26 -0.96 135.00 141.23 1bx3 s PRO 229 Ca 0.02 1.82 0.02 0.00 0.04 0.00 0.00 61.00 62.89 1bx3 s PRO 229 Cb -0.13 -2.75 0.11 0.00 0.04 0.00 0.00 34.50 31.77 1bx3 s PRO 229 CO 0.03 -0.22 0.15 0.08 0.04 0.00 0.00 177.00 177.08 1bx3 s VAL 230 N -1.39 1.64 0.02 -0.36 1.01 0.52 -4.85 120.40 117.00 1bx3 s VAL 230 Ca 0.55 -2.25 -0.30 0.00 0.00 0.00 0.00 61.98 59.98 1bx3 s VAL 230 Cb -0.30 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1bx3 s VAL 230 CO 0.38 -0.74 0.98 -2.16 0.00 0.00 0.00 175.10 173.57 1bx3 s PRO 231 N 0.80 4.58 0.77 2.72 0.04 -1.26 -1.08 135.00 141.57 1bx3 s PRO 231 Ca 0.13 1.43 -0.12 0.00 0.04 0.00 0.00 61.00 62.49 1bx3 s PRO 231 Cb -0.21 -3.44 0.06 0.00 0.04 0.00 0.00 34.50 30.94 1bx3 s PRO 231 CO -0.10 -0.01 1.15 0.20 0.04 0.00 0.00 177.00 178.28 1bx3 s GLY 232 N 0.84 1.60 -0.60 0.56 0.00 -0.36 -4.79 107.32 104.57 1bx3 s GLY 232 Ca 0.51 -0.56 -0.27 0.00 0.00 0.00 0.00 44.72 44.39 1bx3 s GLY 232 CO 0.28 -0.12 1.50 -0.47 0.00 0.00 0.00 173.10 174.30 1bx3 s TYR 233 N -3.50 2.13 -1.47 1.90 5.04 -1.26 -4.26 117.35 115.92 1bx3 s TYR 233 Ca 0.61 0.44 -0.17 0.00 -2.44 0.00 0.00 57.07 55.50 1bx3 s TYR 233 Cb -0.11 -4.37 0.17 0.00 0.35 0.00 0.00 41.96 38.00 1bx3 s TYR 233 CO 0.50 -2.11 0.52 0.54 -1.34 0.00 0.00 175.55 173.66 1bx3 n ARG 234 N 8.92 -1.84 -0.04 4.97 1.74 -0.05 -4.79 116.66 125.57 1bx3 n ARG 234 Ca 0.13 0.20 0.02 0.00 -0.77 0.00 0.00 57.85 57.42 1bx3 n ARG 234 Cb 0.50 -4.81 0.04 0.00 -1.02 0.00 0.00 32.46 27.17 1bx3 n ARG 234 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1bx3 n ASN 235 N -2.31 1.97 -1.15 0.55 2.04 -1.26 -4.95 115.26 110.14 1bx3 n ASN 235 Ca 0.08 -1.72 -0.14 0.00 -0.44 0.00 0.00 54.58 52.36 1bx3 n ASN 235 Cb 0.48 -0.05 -0.05 0.00 -2.53 0.00 0.00 39.78 37.63 1bx3 n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1bx3 n ASN 236 N -0.05 -4.58 -4.77 0.53 3.02 -1.26 -0.48 115.26 107.67 1bx3 n ASN 236 Ca 0.03 0.27 -0.36 0.00 -0.03 0.00 0.00 54.58 54.50 1bx3 n ASN 236 Cb 0.23 -3.38 -0.08 0.00 -0.61 0.00 0.00 39.78 35.95 1bx3 n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1bx3 s VAL 237 N -2.54 5.30 -0.28 2.41 1.01 -1.26 -4.73 120.40 120.30 1bx3 s VAL 237 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 1bx3 s VAL 237 Cb 0.00 -3.37 0.10 0.00 0.00 0.00 0.00 36.38 33.11 1bx3 s VAL 237 CO 0.00 0.52 0.11 -0.69 0.00 0.00 0.00 175.10 175.04 1bx3 s VAL 238 N -0.20 0.18 0.47 2.92 1.01 -1.26 -1.22 120.40 122.30 1bx3 s VAL 238 Ca 0.10 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 1bx3 s VAL 238 Cb -0.12 -1.12 0.10 0.00 0.00 0.00 0.00 36.38 35.25 1bx3 s VAL 238 CO 0.01 -0.66 0.65 0.59 0.00 0.00 0.00 175.10 175.68 1bx3 n ASN 239 N 5.15 0.45 -4.13 3.32 3.02 -0.24 -4.60 115.26 118.23 1bx3 n ASN 239 Ca -0.05 -1.48 -0.24 0.00 -0.03 0.00 0.00 54.58 52.77 1bx3 n ASN 239 Cb 0.43 -0.46 -0.16 0.00 -0.61 0.00 0.00 39.78 38.99 1bx3 n ASN 239 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1bx3 s THR 240 N -2.08 1.31 -0.30 3.41 2.01 -1.26 -0.35 115.64 118.37 1bx3 s THR 240 Ca 0.40 -0.68 -0.06 0.00 0.31 0.00 0.00 61.69 61.66 1bx3 s THR 240 Cb -0.02 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 71.41 1bx3 s THR 240 CO 0.27 0.37 0.06 -0.32 -0.69 0.00 0.00 174.62 174.32 1bx3 s MET 241 N -0.20 2.85 -0.28 4.92 1.75 -0.14 -2.04 119.30 126.16 1bx3 s MET 241 Ca 0.02 -1.01 -0.11 0.00 -1.25 0.00 0.00 55.69 53.35 1bx3 s MET 241 Cb -0.08 -3.33 -0.05 0.00 2.84 0.00 0.00 34.83 34.21 1bx3 s MET 241 CO 0.00 -0.52 0.18 0.50 -0.65 0.00 0.00 175.02 174.54 1bx3 s ARG 242 N 1.42 3.91 -0.17 4.11 3.52 0.22 -1.08 118.95 130.89 1bx3 s ARG 242 Ca 0.00 -0.34 -0.01 0.00 -0.13 0.00 0.00 55.73 55.25 1bx3 s ARG 242 Cb -0.18 -3.64 -0.01 0.00 -1.56 0.00 0.00 34.95 29.56 1bx3 s ARG 242 CO 0.01 -0.19 -0.12 -0.51 -0.81 0.00 0.00 175.30 173.68 1bx3 s LEU 243 N 1.75 2.62 0.07 -0.88 1.43 -0.43 -0.81 118.68 122.43 1bx3 s LEU 243 Ca 0.07 -0.42 -0.22 0.00 -1.03 0.00 0.00 54.13 52.52 1bx3 s LEU 243 Cb -0.16 -1.61 -0.06 0.00 0.03 0.00 0.00 46.19 44.38 1bx3 s LEU 243 CO 0.10 0.08 0.66 0.26 0.23 0.00 0.00 176.35 177.68 1bx3 s TRP 244 N 0.88 3.79 -0.08 0.29 0.52 -0.23 -1.22 118.94 122.89 1bx3 s TRP 244 Ca -0.03 1.38 0.04 0.00 0.02 0.00 0.00 56.10 57.50 1bx3 s TRP 244 Cb -0.15 -2.65 -0.01 0.00 -1.15 0.00 0.00 33.47 29.51 1bx3 s TRP 244 CO -0.00 0.46 -0.21 0.45 0.02 0.00 0.00 176.95 177.67 1bx3 s SER 245 N -0.71 3.42 0.08 2.95 0.15 0.91 -0.99 113.70 119.50 1bx3 s SER 245 Ca 0.33 -0.44 -0.30 0.00 0.70 0.00 0.00 55.95 56.24 1bx3 s SER 245 Cb -0.20 -1.15 -0.06 0.00 -1.71 0.00 0.00 66.02 62.90 1bx3 s SER 245 CO 0.21 0.22 1.15 0.00 1.20 0.00 0.00 173.24 176.02 1bx3 s ALA 246 N -0.00 3.36 -0.02 5.45 0.00 -1.26 0.05 121.76 129.33 1bx3 s ALA 246 Ca -0.07 0.80 0.02 0.00 0.00 0.00 0.00 51.96 52.72 1bx3 s ALA 246 Cb -0.15 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1bx3 s ALA 246 CO 0.05 -0.36 -0.08 0.21 0.00 0.00 0.00 175.76 175.58 1bx3 s LYS 247 N 0.73 0.80 0.51 0.00 2.47 0.19 -4.64 119.74 119.79 1bx3 s LYS 247 Ca 0.56 -0.26 -0.21 0.00 -1.56 0.00 0.00 55.97 54.49 1bx3 s LYS 247 Cb -0.28 -0.76 -0.06 0.00 -1.46 0.00 0.00 37.83 35.26 1bx3 s LYS 247 CO 0.30 0.11 1.19 0.00 0.16 0.00 0.00 175.35 177.11 1bx3 s ALA 248 N 0.14 2.84 0.11 3.13 0.00 -1.26 -0.68 121.76 126.04 1bx3 s ALA 248 Ca -0.02 0.98 -0.14 0.00 0.00 0.00 0.00 51.96 52.77 1bx3 s ALA 248 Cb -0.07 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1bx3 s ALA 248 CO 0.00 -0.85 1.48 -1.00 0.00 0.00 0.00 175.76 175.40 1bx3 h PRO 249 N 1.64 0.72 0.00 0.00 0.13 -1.95 -3.44 132.00 129.10 1bx3 h PRO 249 Ca -0.50 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.32 1bx3 h PRO 249 Cb 1.26 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1bx3 h PRO 249 CO 0.58 0.92 0.00 0.41 -0.23 0.00 0.00 178.00 179.68 1bx3 n GLY 261 N -0.05 0.00 0.28 1.56 0.00 -1.26 -5.09 105.19 100.62 1bx3 n GLY 261 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 1bx3 n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1bx3 h TYR 262 N 0.00 -0.62 -0.37 1.61 3.20 -2.06 -1.77 116.97 116.95 1bx3 h TYR 262 Ca 0.00 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 1bx3 h TYR 262 Cb 0.00 0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 1bx3 h TYR 262 CO 0.00 -0.32 0.22 0.82 -1.64 0.00 0.00 178.16 177.24 1bx3 h ILE 263 N -0.17 1.13 -0.87 1.81 1.08 -2.05 -2.38 117.51 116.05 1bx3 h ILE 263 Ca 0.19 -0.30 -0.01 0.00 -0.39 0.00 0.00 64.86 64.35 1bx3 h ILE 263 Cb 0.47 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 1bx3 h ILE 263 CO -0.50 0.13 0.49 -0.61 -0.69 0.00 0.00 178.15 176.97 1bx3 h GLN 264 N 0.48 1.21 -0.88 2.37 5.75 -1.94 -0.72 115.11 121.38 1bx3 h GLN 264 Ca 0.13 -0.14 0.02 0.00 -0.15 0.00 0.00 58.65 58.51 1bx3 h GLN 264 Cb 0.01 -0.24 -0.05 0.00 1.07 0.00 0.00 27.48 28.28 1bx3 h GLN 264 CO -0.02 0.88 0.58 0.00 -2.65 0.00 0.00 178.83 177.62 1bx3 h ALA 265 N 1.26 1.39 -0.22 3.38 0.00 -1.04 0.88 119.26 124.92 1bx3 h ALA 265 Ca 0.31 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 1bx3 h ALA 265 Cb 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1bx3 h ALA 265 CO -0.05 0.55 -0.45 0.28 0.00 0.00 0.00 179.25 179.58 1bx3 h VAL 266 N 1.17 1.31 -0.52 0.00 2.07 -0.90 -3.14 116.25 116.24 1bx3 h VAL 266 Ca 0.33 -1.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.14 1bx3 h VAL 266 Cb -0.09 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1bx3 h VAL 266 CO -0.08 0.52 0.17 -0.07 0.02 0.00 0.00 177.57 178.14 1bx3 h LEU 267 N 0.39 0.75 0.00 2.57 3.38 -0.41 -2.62 115.31 119.37 1bx3 h LEU 267 Ca 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1bx3 h LEU 267 Cb 1.06 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1bx3 h LEU 267 CO 0.10 0.75 0.00 0.47 0.09 0.00 0.00 178.44 179.85 1bx3 n ASP 268 N -4.49 0.00 0.25 -0.43 9.92 0.30 -1.44 116.55 120.66 1bx3 n ASP 268 Ca 0.02 0.29 0.17 0.00 -0.53 0.00 0.00 54.79 54.74 1bx3 n ASP 268 Cb 0.19 -0.30 0.74 0.00 -0.64 0.00 0.00 41.12 41.11 1bx3 n ASP 268 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1bx3 h ARG 269 N 0.00 0.00 -0.91 -1.24 3.08 -1.46 -2.62 114.38 111.24 1bx3 h ARG 269 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1bx3 h ARG 269 Cb 0.01 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1bx3 h ARG 269 CO 0.00 0.00 0.54 -0.91 -1.07 0.00 0.00 179.97 178.53 1bx3 h ASN 270 N 0.00 1.09 -0.13 7.04 2.35 -1.47 -2.90 115.58 121.56 1bx3 h ASN 270 Ca 0.00 -0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.73 1bx3 h ASN 270 Cb 0.35 -0.27 -0.06 0.00 0.05 0.00 0.00 38.32 38.38 1bx3 h ASN 270 CO 0.00 0.84 -0.28 -0.07 -1.65 0.00 0.00 177.43 176.26 1bx3 h LEU 271 N 1.25 -0.88 -1.19 1.61 3.38 -1.70 0.83 115.31 118.60 1bx3 h LEU 271 Ca 0.32 0.13 -0.08 0.00 0.09 0.00 0.00 57.88 58.35 1bx3 h LEU 271 Cb -0.05 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1bx3 h LEU 271 CO -0.06 -0.33 -0.39 0.00 0.09 0.00 0.00 178.44 177.75 1bx3 h ALA 272 N 0.53 1.29 -0.00 1.53 0.00 -1.73 -2.59 119.26 118.28 1bx3 h ALA 272 Ca 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1bx3 h ALA 272 Cb 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1bx3 h ALA 272 CO -0.33 0.49 -0.07 0.39 0.00 0.00 0.00 179.25 179.73 1bx3 n GLU 273 N -3.98 0.02 0.16 0.00 1.02 -0.77 -3.13 120.64 113.96 1bx3 n GLU 273 Ca -0.02 -0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.25 1bx3 n GLU 273 Cb 0.44 -1.50 0.48 0.00 -0.02 0.00 0.00 31.44 30.84 1bx3 n GLU 273 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1bx3 h ASN 274 N 0.01 0.00 -0.98 1.62 2.35 -0.44 -3.24 115.58 114.89 1bx3 h ASN 274 Ca 0.00 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.86 1bx3 h ASN 274 Cb 0.49 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.78 1bx3 h ASN 274 CO 0.00 0.00 0.63 0.40 -1.65 0.00 0.00 177.43 176.81 1bx3 h ILE 275 N 0.00 0.95 -0.49 2.81 2.04 -1.69 -1.96 117.51 119.17 1bx3 h ILE 275 Ca 0.00 -0.34 -0.13 0.00 1.00 0.00 0.00 64.86 65.39 1bx3 h ILE 275 Cb 0.53 -0.13 -0.08 0.00 -0.74 0.00 0.00 36.82 36.40 1bx3 h ILE 275 CO 0.00 0.18 0.10 -1.54 0.00 0.00 0.00 178.15 176.90 1bx3 n SER 276 N -4.58 4.07 -0.01 1.72 3.41 -1.22 -4.69 113.62 112.32 1bx3 n SER 276 Ca 0.18 -3.26 -0.13 0.00 -0.26 0.00 0.00 58.87 55.40 1bx3 n SER 276 Cb 0.32 -0.65 -0.10 0.00 -0.26 0.00 0.00 64.21 63.52 1bx3 n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1bx3 h ARG 277 N 2.07 -0.02 -3.26 4.33 9.65 -1.48 -1.59 114.38 124.07 1bx3 h ARG 277 Ca 0.16 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 58.88 1bx3 h ARG 277 Cb 1.89 0.01 -0.24 0.00 -1.39 0.00 0.00 29.97 30.23 1bx3 h ARG 277 CO 0.49 0.53 -0.46 0.54 2.80 0.00 0.00 179.97 183.87 1bx3 s VAL 278 N -3.91 0.02 0.08 0.20 0.11 -1.26 -0.07 120.40 115.57 1bx3 s VAL 278 Ca -0.16 -0.18 -0.31 0.00 -2.93 0.00 0.00 61.98 58.40 1bx3 s VAL 278 Cb 0.01 -0.36 -0.06 0.00 -1.53 0.00 0.00 36.38 34.44 1bx3 s VAL 278 CO 0.66 -0.10 1.24 -0.22 -3.33 0.00 0.00 175.10 173.35 1bx3 s LEU 279 N -0.31 4.38 0.06 2.54 2.96 -0.58 -4.97 118.68 122.77 1bx3 s LEU 279 Ca -0.04 2.10 -0.31 0.00 -0.22 0.00 0.00 54.13 55.67 1bx3 s LEU 279 Cb -0.03 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 43.00 1bx3 s LEU 279 CO 0.01 -0.50 1.58 -0.31 -1.32 0.00 0.00 176.35 175.80 1bx3 s TYR 280 N 0.99 2.60 -1.48 5.38 2.02 -1.26 -4.82 117.35 120.78 1bx3 s TYR 280 Ca 0.60 0.48 0.00 0.00 -0.37 0.00 0.00 57.07 57.78 1bx3 s TYR 280 Cb -0.31 -3.88 0.00 0.00 -0.40 0.00 0.00 41.96 37.37 1bx3 s TYR 280 CO 0.30 -3.45 0.72 -0.35 -1.57 0.00 0.00 175.55 171.20 1bx3 n PRO 281 N 5.37 0.98 -2.81 -1.71 -0.04 -1.26 -4.89 135.00 130.65 1bx3 n PRO 281 Ca 0.15 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.22 1bx3 n PRO 281 Cb 0.41 -1.26 -0.06 0.00 -0.04 0.00 0.00 33.50 32.55 1bx3 n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1bx3 s ASN 282 N -0.50 7.46 0.00 3.54 0.01 -1.26 -4.50 114.94 119.70 1bx3 s ASN 282 Ca 0.00 1.84 0.00 0.00 -0.71 0.00 0.00 52.86 53.99 1bx3 s ASN 282 Cb 0.00 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.09 1bx3 s ASN 282 CO 0.00 0.07 0.00 -0.67 -1.51 0.00 0.00 177.10 174.99 1bx3 n ASP 283 N 1.09 0.00 -3.26 -1.22 2.03 -1.26 -4.75 116.55 109.18 1bx3 n ASP 283 Ca -0.01 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.01 1bx3 n ASP 283 Cb 0.49 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.83 1bx3 n ASP 283 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1bx3 n ASN 284 N -0.61 4.47 -3.45 1.67 4.13 -1.26 -4.99 115.26 115.21 1bx3 n ASN 284 Ca 0.00 -3.56 -0.06 0.00 1.68 0.00 0.00 54.58 52.63 1bx3 n ASN 284 Cb 0.00 -0.69 -0.07 0.00 -1.54 0.00 0.00 39.78 37.48 1bx3 n ASN 284 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1bx3 s PHE 285 N -3.04 -0.97 0.05 3.10 5.36 -1.26 -4.27 117.98 116.94 1bx3 s PHE 285 Ca 0.43 1.32 -0.30 0.00 -0.96 0.00 0.00 56.93 57.42 1bx3 s PHE 285 Cb 0.20 0.26 -0.05 0.00 -0.34 0.00 0.00 43.02 43.09 1bx3 s PHE 285 CO -0.07 -0.66 1.14 0.12 -1.46 0.00 0.00 175.22 174.30 1bx3 s PHE 286 N 2.64 3.50 -0.17 10.12 5.36 0.13 -4.88 117.98 134.69 1bx3 s PHE 286 Ca 0.08 1.41 -0.17 0.00 -0.96 0.00 0.00 56.93 57.29 1bx3 s PHE 286 Cb -0.14 -3.34 -0.06 0.00 -0.34 0.00 0.00 43.02 39.14 1bx3 s PHE 286 CO -0.16 -0.94 -0.33 0.39 -1.46 0.00 0.00 175.22 172.72 1bx3 n GLU 287 N 3.85 0.50 0.00 10.12 1.02 -1.26 -4.95 120.64 129.91 1bx3 n GLU 287 Ca 0.08 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1bx3 n GLU 287 Cb 0.47 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 1bx3 n GLU 287 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bx3 n GLY 288 N 1.53 1.47 3.71 0.62 0.00 -1.26 -5.07 105.19 106.18 1bx3 n GLY 288 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1bx3 n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bx3 s LYS 289 N -0.19 4.47 0.36 1.61 -0.14 -1.26 -4.93 119.74 119.66 1bx3 s LYS 289 Ca 0.00 1.64 0.07 0.00 -1.36 0.00 0.00 55.97 56.32 1bx3 s LYS 289 Cb 0.00 -3.40 0.76 0.00 -1.68 0.00 0.00 37.83 33.52 1bx3 s LYS 289 CO 0.00 -0.19 1.94 1.49 -0.76 0.00 0.00 175.35 177.83 1bx3 h GLU 290 N 6.83 0.71 -0.54 1.68 4.81 -1.99 -0.46 114.58 125.62 1bx3 h GLU 290 Ca -0.41 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1bx3 h GLU 290 Cb 1.21 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 1bx3 h GLU 290 CO 0.79 0.47 0.29 1.25 -0.73 0.00 0.00 179.01 181.08 1bx3 h LEU 291 N 0.74 0.67 -0.49 1.64 5.85 -1.99 -0.36 115.31 121.36 1bx3 h LEU 291 Ca 0.34 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.91 1bx3 h LEU 291 Cb 0.36 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1bx3 h LEU 291 CO -0.12 0.55 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.34 1bx3 h ARG 292 N 0.76 0.93 -0.79 1.25 9.65 -1.49 -1.30 114.38 123.39 1bx3 h ARG 292 Ca 0.19 -0.35 -0.03 0.00 -1.10 0.00 0.00 59.98 58.69 1bx3 h ARG 292 Cb 0.04 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.53 1bx3 h ARG 292 CO -0.03 1.01 0.36 1.25 2.80 0.00 0.00 179.97 185.36 1bx3 h LEU 293 N 0.78 1.05 -0.81 3.80 5.85 -0.89 -1.04 115.31 124.06 1bx3 h LEU 293 Ca 0.13 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1bx3 h LEU 293 Cb 0.65 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1bx3 h LEU 293 CO 0.05 0.91 0.40 0.11 -0.34 0.00 0.00 178.44 179.57 1bx3 h LYS 294 N 1.13 1.15 -0.65 1.25 1.57 -0.76 -1.06 116.57 119.19 1bx3 h LYS 294 Ca 0.27 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1bx3 h LYS 294 Cb 0.15 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1bx3 h LYS 294 CO -0.03 0.88 0.39 1.96 -0.57 0.00 0.00 179.45 182.07 1bx3 h GLN 295 N 1.13 0.89 -0.23 3.15 4.20 -0.76 0.93 115.11 124.43 1bx3 h GLN 295 Ca 0.28 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 1bx3 h GLN 295 Cb 0.09 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1bx3 h GLN 295 CO -0.04 0.64 0.08 0.93 -0.67 0.00 0.00 178.83 179.78 1bx3 h GLU 296 N 0.89 0.36 -0.53 1.46 5.08 -0.62 -2.57 114.58 118.65 1bx3 h GLU 296 Ca 0.23 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1bx3 h GLU 296 Cb -0.01 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1bx3 h GLU 296 CO -0.04 0.43 -0.02 -0.92 -1.00 0.00 0.00 179.01 177.46 1bx3 h TYR 297 N 0.21 1.03 -0.54 4.33 3.20 -1.07 -2.63 116.97 121.51 1bx3 h TYR 297 Ca 0.08 -0.19 0.11 0.00 3.14 0.00 0.00 58.73 61.87 1bx3 h TYR 297 Cb 0.21 -0.27 -0.10 0.00 1.54 0.00 0.00 36.73 38.12 1bx3 h TYR 297 CO -0.00 0.95 -0.07 0.35 -1.64 0.00 0.00 178.16 177.75 1bx3 h PHE 298 N 0.81 -0.17 -0.21 -3.82 3.57 -0.68 0.36 116.94 116.80 1bx3 h PHE 298 Ca 0.15 0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.56 1bx3 h PHE 298 Cb 0.55 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 1bx3 h PHE 298 CO 0.04 -0.19 -0.44 0.28 -2.23 0.00 0.00 178.31 175.77 1bx3 h VAL 299 N 0.05 1.31 0.06 1.41 2.07 -1.42 -2.89 116.25 116.83 1bx3 h VAL 299 Ca 0.27 -1.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.16 1bx3 h VAL 299 Cb 0.42 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1bx3 h VAL 299 CO -0.51 0.51 -0.03 0.58 0.02 0.00 0.00 177.57 178.14 1bx3 h VAL 300 N 0.43 1.24 0.07 2.57 2.07 -0.86 -2.05 116.25 119.72 1bx3 h VAL 300 Ca 0.03 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1bx3 h VAL 300 Cb 0.94 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1bx3 h VAL 300 CO 0.08 0.28 -0.07 0.00 0.02 0.00 0.00 177.57 177.88 1bx3 h ALA 301 N 0.28 -0.13 0.06 1.67 0.00 -0.41 -0.96 119.26 119.78 1bx3 h ALA 301 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bx3 h ALA 301 Cb 0.52 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1bx3 h ALA 301 CO 0.01 -0.58 -0.03 0.00 0.00 0.00 0.00 179.25 178.65 1bx3 h ALA 302 N 0.78 -0.09 -0.57 0.00 0.00 -1.62 -2.26 119.26 115.49 1bx3 h ALA 302 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1bx3 h ALA 302 Cb 0.15 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1bx3 h ALA 302 CO -0.02 -0.51 0.23 1.15 0.00 0.00 0.00 179.25 180.10 1bx3 h THR 303 N -0.15 0.83 0.00 0.00 2.02 -1.30 -1.85 112.91 112.45 1bx3 h THR 303 Ca -0.01 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 66.95 1bx3 h THR 303 Cb 0.13 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1bx3 h THR 303 CO 0.01 0.08 -0.33 -0.07 0.37 0.00 0.00 175.52 175.58 1bx3 h LEU 304 N 0.43 0.00 -0.36 2.58 4.07 -1.08 -0.96 115.31 120.00 1bx3 h LEU 304 Ca 0.28 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.15 1bx3 h LEU 304 Cb 0.30 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.03 1bx3 h LEU 304 CO -0.26 0.33 -0.10 1.56 -1.08 0.00 0.00 178.44 178.89 1bx3 h GLN 305 N 0.00 0.70 -0.62 1.13 4.20 -0.75 0.89 115.11 120.66 1bx3 h GLN 305 Ca -0.00 -0.28 0.01 0.00 0.06 0.00 0.00 58.65 58.44 1bx3 h GLN 305 Cb 0.74 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 1bx3 h GLN 305 CO 0.04 0.87 0.41 -0.44 -0.67 0.00 0.00 178.83 179.04 1bx3 h ASP 306 N 0.50 0.70 -0.15 1.46 5.19 -0.93 -1.68 116.42 121.50 1bx3 h ASP 306 Ca 0.09 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.47 1bx3 h ASP 306 Cb 0.62 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 1bx3 h ASP 306 CO 0.04 0.50 0.02 0.40 -3.12 0.00 0.00 179.24 177.08 1bx3 h ILE 307 N 0.83 1.22 -0.49 0.35 2.04 -0.84 -1.28 117.51 119.35 1bx3 h ILE 307 Ca 0.23 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 1bx3 h ILE 307 Cb -0.08 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1bx3 h ILE 307 CO -0.06 0.22 0.26 0.40 0.00 0.00 0.00 178.15 178.96 1bx3 h ILE 308 N 0.03 1.18 -0.15 -0.67 1.08 -0.74 -1.46 117.51 116.77 1bx3 h ILE 308 Ca 0.05 -0.48 -0.01 0.00 -0.39 0.00 0.00 64.86 64.02 1bx3 h ILE 308 Cb 0.31 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 34.65 1bx3 h ILE 308 CO 0.00 0.19 0.06 -0.09 -0.69 0.00 0.00 178.15 177.63 1bx3 h ARG 309 N 0.65 0.23 -0.75 2.37 2.43 -1.27 -2.01 114.38 116.03 1bx3 h ARG 309 Ca 0.17 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1bx3 h ARG 309 Cb 0.08 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 1bx3 h ARG 309 CO -0.03 0.33 0.47 0.00 -1.51 0.00 0.00 179.97 179.23 1bx3 h ARG 310 N 0.08 0.88 -0.37 0.20 2.47 -1.16 -1.97 114.38 114.52 1bx3 h ARG 310 Ca 0.05 -0.05 0.04 0.00 -1.26 0.00 0.00 59.98 58.75 1bx3 h ARG 310 Cb 0.19 -0.20 -0.04 0.00 -1.65 0.00 0.00 29.97 28.27 1bx3 h ARG 310 CO -0.00 0.58 0.15 0.35 0.56 0.00 0.00 179.97 181.61 1bx3 h PHE 311 N 0.91 0.28 -0.34 3.04 3.57 -1.04 -2.28 116.94 121.07 1bx3 h PHE 311 Ca 0.30 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.80 1bx3 h PHE 311 Cb 0.04 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1bx3 h PHE 311 CO -0.04 0.13 0.13 0.87 -2.23 0.00 0.00 178.31 177.17 1bx3 h LYS 312 N 0.32 0.48 -1.67 1.11 1.57 -0.75 -3.52 116.57 114.11 1bx3 h LYS 312 Ca 0.16 -0.06 -0.67 0.00 -1.87 0.00 0.00 60.65 58.21 1bx3 h LYS 312 Cb 0.11 -0.09 -0.25 0.00 0.08 0.00 0.00 32.23 32.08 1bx3 h LYS 312 CO -0.15 0.41 0.87 -1.13 -0.57 0.00 0.00 179.45 178.88 1bx3 n SER 313 N -4.39 7.36 0.00 0.86 3.41 -0.80 -5.12 113.62 114.94 1bx3 n SER 313 Ca 0.02 -3.68 0.00 0.00 -0.26 0.00 0.00 58.87 54.95 1bx3 n SER 313 Cb 0.14 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 1bx3 n SER 313 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1bx3 n ASN 325 N -0.38 0.00 0.00 4.04 6.94 -1.26 -5.06 115.26 119.54 1bx3 n ASN 325 Ca 0.54 0.00 0.02 0.00 -0.02 0.00 0.00 54.58 55.12 1bx3 n ASN 325 Cb 0.43 0.00 0.12 0.00 -2.36 0.00 0.00 39.78 37.97 1bx3 n ASN 325 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1bx3 n PHE 326 N 0.00 0.00 0.09 -2.53 3.72 -1.26 -2.01 117.46 115.47 1bx3 n PHE 326 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 1bx3 n PHE 326 Cb 0.00 -0.29 0.11 0.00 -0.94 0.00 0.00 39.48 38.36 1bx3 n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1bx3 h ASP 327 N 0.00 0.26 -0.43 4.37 3.32 -2.03 -3.01 116.42 118.89 1bx3 h ASP 327 Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1bx3 h ASP 327 Cb 0.04 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1bx3 h ASP 327 CO 0.00 0.82 0.00 0.00 -1.72 0.00 0.00 179.24 178.34 1bx3 n ALA 328 N -2.47 2.44 0.01 3.45 0.00 -0.85 -4.46 120.51 118.62 1bx3 n ALA 328 Ca -0.02 -0.85 -0.10 0.00 0.00 0.00 0.00 53.44 52.47 1bx3 n ALA 328 Cb 0.63 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 19.08 1bx3 n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1bx3 h PHE 329 N 3.12 -0.29 0.00 0.00 3.57 -1.63 -1.50 116.94 120.21 1bx3 h PHE 329 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1bx3 h PHE 329 Cb 0.70 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.59 1bx3 h PHE 329 CO 0.28 -0.18 0.00 -1.35 -2.23 0.00 0.00 178.31 174.84 1bx3 h PRO 330 N -0.15 0.00 0.00 6.41 0.11 -1.80 0.40 132.00 136.98 1bx3 h PRO 330 Ca 0.08 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 1bx3 h PRO 330 Cb 0.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 1bx3 h PRO 330 CO -0.19 0.00 -0.15 -0.44 -0.21 0.00 0.00 178.00 177.01 1bx3 h ASP 331 N 0.00 0.00 -0.00 -2.05 3.32 -1.58 -3.29 116.42 112.82 1bx3 h ASP 331 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1bx3 h ASP 331 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1bx3 h ASP 331 CO 0.00 0.15 -0.30 0.29 -1.72 0.00 0.00 179.24 177.65 1bx3 n LYS 332 N -3.16 4.28 -4.20 3.56 4.76 -0.51 -4.51 118.16 118.38 1bx3 n LYS 332 Ca 0.03 -0.08 -0.19 0.00 -2.87 0.00 0.00 58.31 55.19 1bx3 n LYS 332 Cb 0.54 -0.86 -0.16 0.00 -1.84 0.00 0.00 35.03 32.71 1bx3 n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1bx3 s VAL 333 N -1.58 0.54 -0.10 -0.18 1.01 0.13 -1.31 120.40 118.92 1bx3 s VAL 333 Ca 0.03 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1bx3 s VAL 333 Cb 0.05 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 35.92 1bx3 s VAL 333 CO 0.27 0.20 -0.13 0.00 0.00 0.00 0.00 175.10 175.45 1bx3 s ALA 334 N 0.58 1.51 -0.27 5.51 0.00 -0.29 -4.53 121.76 124.27 1bx3 s ALA 334 Ca -0.08 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1bx3 s ALA 334 Cb -0.11 -0.78 0.05 0.00 0.00 0.00 0.00 23.12 22.27 1bx3 s ALA 334 CO 0.00 -0.10 -0.06 0.42 0.00 0.00 0.00 175.76 176.02 1bx3 s ILE 335 N 1.05 2.58 -0.23 0.00 1.01 -0.09 0.56 121.20 126.08 1bx3 s ILE 335 Ca -0.06 -1.43 -0.11 0.00 0.00 0.00 0.00 60.65 59.05 1bx3 s ILE 335 Cb -0.15 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 1bx3 s ILE 335 CO -0.02 -0.01 0.18 -1.58 0.00 0.00 0.00 174.94 173.51 1bx3 s GLN 336 N 1.20 4.10 -0.33 2.79 2.00 0.37 -1.96 119.66 127.83 1bx3 s GLN 336 Ca -0.06 -0.22 -0.15 0.00 -2.00 0.00 0.00 55.36 52.93 1bx3 s GLN 336 Cb -0.19 -3.52 -0.02 0.00 0.80 0.00 0.00 33.01 30.09 1bx3 s GLN 336 CO -0.04 0.10 0.38 -0.51 -0.50 0.00 0.00 175.29 174.72 1bx3 s LEU 337 N 0.94 4.35 -1.00 3.68 1.43 0.04 -1.81 118.68 126.32 1bx3 s LEU 337 Ca 0.09 -0.12 -0.21 0.00 -1.03 0.00 0.00 54.13 52.86 1bx3 s LEU 337 Cb -0.13 -2.38 0.08 0.00 0.03 0.00 0.00 46.19 43.79 1bx3 s LEU 337 CO 0.04 -0.32 1.34 0.21 0.23 0.00 0.00 176.35 177.84 1bx3 s ASN 338 N 1.72 6.56 0.11 2.29 2.47 -0.84 -1.65 114.94 125.59 1bx3 s ASN 338 Ca 0.13 -1.70 0.00 0.00 0.42 0.00 0.00 52.86 51.71 1bx3 s ASN 338 Cb -0.16 -2.51 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 1bx3 s ASN 338 CO 0.12 -1.34 0.00 -0.67 -3.72 0.00 0.00 177.10 171.49 1bx3 n ASP 339 N 8.02 -0.46 -0.49 -4.21 -0.08 -0.46 -4.26 116.55 114.61 1bx3 n ASP 339 Ca 0.30 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.71 1bx3 n ASP 339 Cb 0.50 0.00 0.39 0.00 2.34 0.00 0.00 41.12 44.35 1bx3 n ASP 339 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1bx3 n THR 340 N -0.09 0.00 -0.19 5.18 -2.24 -1.26 -4.43 114.28 111.25 1bx3 n THR 340 Ca 0.00 -0.26 -0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1bx3 n THR 340 Cb 0.00 0.67 0.09 0.00 -2.10 0.00 0.00 70.33 68.99 1bx3 n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1bx3 h HIS 341 N 2.40 0.07 -0.68 4.78 3.86 -1.97 -0.35 115.15 123.26 1bx3 h HIS 341 Ca 0.00 0.04 -0.17 0.00 -1.16 0.00 0.00 60.37 59.08 1bx3 h HIS 341 Cb 0.59 0.06 -0.10 0.00 1.06 0.00 0.00 27.41 29.01 1bx3 h HIS 341 CO 0.00 -0.09 0.22 -0.35 0.86 0.00 0.00 177.93 178.57 1bx3 n PRO 342 N -5.20 3.81 0.29 2.45 -0.04 -1.26 -4.56 135.00 130.49 1bx3 n PRO 342 Ca 0.08 -2.93 0.19 0.00 -0.04 0.00 0.00 63.50 60.80 1bx3 n PRO 342 Cb 0.32 -2.19 0.99 0.00 -0.04 0.00 0.00 33.50 32.58 1bx3 n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1bx3 h SER 343 N 2.77 0.00 0.20 3.54 4.64 -1.30 -1.98 113.55 121.42 1bx3 h SER 343 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1bx3 h SER 343 Cb 2.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.30 1bx3 h SER 343 CO 0.67 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.81 1bx3 n LEU 344 N -3.41 0.00 0.28 5.97 4.77 -1.26 -1.89 117.00 121.45 1bx3 n LEU 344 Ca -0.02 0.50 0.16 0.00 -0.03 0.00 0.00 56.01 56.62 1bx3 n LEU 344 Cb 0.19 -0.50 0.76 0.00 -2.33 0.00 0.00 43.42 41.54 1bx3 n LEU 344 CO 0.23 -0.39 1.00 0.00 -1.33 0.00 0.00 177.39 176.89 1bx3 h ALA 345 N 2.21 1.06 0.30 -1.18 0.00 -1.72 0.24 119.26 120.16 1bx3 h ALA 345 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1bx3 h ALA 345 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1bx3 h ALA 345 CO 0.00 0.07 -0.14 0.82 0.00 0.00 0.00 179.25 179.99 1bx3 h ILE 346 N 0.00 0.43 0.00 0.00 2.04 -1.63 0.61 117.51 118.97 1bx3 h ILE 346 Ca -0.00 -0.81 -0.09 0.00 1.00 0.00 0.00 64.86 64.95 1bx3 h ILE 346 Cb 0.42 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1bx3 h ILE 346 CO 0.01 0.11 -0.45 1.55 0.00 0.00 0.00 178.15 179.37 1bx3 h PRO 347 N -0.98 0.00 -0.40 2.37 0.13 -1.74 -2.17 132.00 129.21 1bx3 h PRO 347 Ca -0.04 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.03 1bx3 h PRO 347 Cb 0.48 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 1bx3 h PRO 347 CO 0.07 0.45 0.03 1.49 -0.23 0.00 0.00 178.00 179.80 1bx3 h GLU 348 N 0.00 0.68 -0.61 0.86 4.57 -0.98 0.48 114.58 119.58 1bx3 h GLU 348 Ca -0.00 -0.20 -0.05 0.00 -1.18 0.00 0.00 59.36 57.93 1bx3 h GLU 348 Cb 0.84 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.33 1bx3 h GLU 348 CO 0.06 0.75 0.19 1.25 -1.18 0.00 0.00 179.01 180.08 1bx3 h LEU 349 N 0.52 0.85 -0.39 1.64 5.85 -0.68 -0.88 115.31 122.21 1bx3 h LEU 349 Ca 0.12 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 1bx3 h LEU 349 Cb 0.43 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1bx3 h LEU 349 CO 0.01 0.80 -0.08 0.24 -0.34 0.00 0.00 178.44 179.07 1bx3 h MET 350 N 0.89 0.75 -0.25 1.25 2.86 -1.00 -1.50 114.93 117.93 1bx3 h MET 350 Ca 0.20 -0.28 0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1bx3 h MET 350 Cb 0.26 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 1bx3 h MET 350 CO -0.01 0.88 0.06 -0.09 1.06 0.00 0.00 176.91 178.81 1bx3 h ARG 351 N 0.56 0.15 0.44 1.72 2.43 0.50 -0.53 114.38 119.65 1bx3 h ARG 351 Ca 0.10 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1bx3 h ARG 351 Cb 0.60 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1bx3 h ARG 351 CO 0.04 0.10 -0.22 0.28 -1.51 0.00 0.00 179.97 178.66 1bx3 h VAL 352 N 0.16 0.56 -0.70 0.20 2.07 -1.09 0.10 116.25 117.55 1bx3 h VAL 352 Ca 0.11 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 1bx3 h VAL 352 Cb 0.11 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1bx3 h VAL 352 CO -0.14 0.00 0.34 -0.07 0.02 0.00 0.00 177.57 177.72 1bx3 h LEU 353 N -0.60 0.89 0.00 2.57 3.38 -1.09 0.66 115.31 121.13 1bx3 h LEU 353 Ca -0.06 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1bx3 h LEU 353 Cb 0.46 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1bx3 h LEU 353 CO 0.09 0.75 -0.37 0.58 0.09 0.00 0.00 178.44 179.59 1bx3 h VAL 354 N 0.99 0.27 -0.25 1.22 2.07 -1.09 0.26 116.25 119.73 1bx3 h VAL 354 Ca 0.24 -1.26 -0.06 0.00 0.82 0.00 0.00 66.70 66.44 1bx3 h VAL 354 Cb 0.09 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1bx3 h VAL 354 CO -0.03 0.09 -0.10 0.44 0.02 0.00 0.00 177.57 177.99 1bx3 h ASP 355 N -1.00 0.51 0.11 0.57 3.32 -0.90 -2.60 116.42 116.42 1bx3 h ASP 355 Ca -0.04 -0.39 -0.36 0.00 0.02 0.00 0.00 57.03 56.26 1bx3 h ASP 355 Cb 0.46 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.81 1bx3 h ASP 355 CO -0.02 0.79 -2.25 0.18 -1.72 0.00 0.00 179.24 176.22 1bx3 n LEU 356 N -4.51 0.82 -0.28 1.55 4.77 -0.50 -4.48 117.00 114.37 1bx3 n LEU 356 Ca -0.04 0.07 0.11 0.00 -0.03 0.00 0.00 56.01 56.12 1bx3 n LEU 356 Cb 0.33 0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1bx3 n LEU 356 CO 0.40 0.57 0.22 -0.62 -1.33 0.00 0.00 177.39 176.63 1bx3 n GLU 357 N -2.94 0.71 -3.38 3.23 -0.58 0.11 -5.00 120.64 112.79 1bx3 n GLU 357 Ca -0.32 -0.57 -0.22 0.00 -0.42 0.00 0.00 57.16 55.64 1bx3 n GLU 357 Cb 1.10 -1.49 0.06 0.00 -0.57 0.00 0.00 31.44 30.55 1bx3 n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1bx3 n ARG 358 N -0.65 -6.70 -3.34 3.49 5.12 -0.82 -4.93 116.66 108.83 1bx3 n ARG 358 Ca 0.07 0.78 -0.34 0.00 -1.93 0.00 0.00 57.85 56.44 1bx3 n ARG 358 Cb 0.41 -5.60 -0.06 0.00 -1.16 0.00 0.00 32.46 26.05 1bx3 n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1bx3 s LEU 359 N -6.66 4.23 0.54 0.55 1.43 0.86 -4.98 118.68 114.65 1bx3 s LEU 359 Ca 0.48 1.06 -0.20 0.00 -1.03 0.00 0.00 54.13 54.44 1bx3 s LEU 359 Cb -0.21 -3.56 -0.06 0.00 0.03 0.00 0.00 46.19 42.39 1bx3 s LEU 359 CO 0.59 -0.01 1.15 1.51 0.23 0.00 0.00 176.35 179.82 1bx3 s ASP 360 N -2.05 5.68 0.23 2.29 -4.77 -1.26 -4.33 116.67 112.47 1bx3 s ASP 360 Ca 0.44 2.24 -0.09 0.00 -3.30 0.00 0.00 52.55 51.84 1bx3 s ASP 360 Cb -0.13 -2.59 0.37 0.00 -1.09 0.00 0.00 42.92 39.48 1bx3 s ASP 360 CO 0.20 -1.25 1.63 -0.25 0.70 0.00 0.00 175.17 176.20 1bx3 h TRP 361 N 1.27 -0.18 -0.55 2.11 2.91 -1.96 -1.85 115.95 117.70 1bx3 h TRP 361 Ca -0.50 0.06 -0.01 0.00 1.13 0.00 0.00 58.89 59.57 1bx3 h TRP 361 Cb 1.27 0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 30.08 1bx3 h TRP 361 CO 0.51 -0.26 0.32 -0.44 -1.03 0.00 0.00 178.44 177.53 1bx3 h ASP 362 N 0.06 0.66 -0.36 2.65 3.32 -1.99 -0.22 116.42 120.54 1bx3 h ASP 362 Ca 0.38 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.28 1bx3 h ASP 362 Cb 0.63 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1bx3 h ASP 362 CO -0.68 0.54 -0.09 0.50 -1.72 0.00 0.00 179.24 177.79 1bx3 h LYS 363 N 0.73 0.70 -0.72 3.56 1.63 -1.86 -1.95 116.57 118.65 1bx3 h LYS 363 Ca 0.19 -0.27 0.04 0.00 -0.85 0.00 0.00 60.65 59.77 1bx3 h LYS 363 Cb 0.01 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.55 1bx3 h LYS 363 CO -0.03 0.85 0.44 0.00 -3.45 0.00 0.00 179.45 177.26 1bx3 h ALA 364 N 0.82 0.96 -0.57 5.00 0.00 -1.12 -1.40 119.26 122.96 1bx3 h ALA 364 Ca 0.09 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1bx3 h ALA 364 Cb 0.60 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1bx3 h ALA 364 CO 0.04 0.18 -0.06 2.35 0.00 0.00 0.00 179.25 181.76 1bx3 h TRP 365 N 0.83 1.15 -0.75 0.00 2.91 -0.91 -0.30 115.95 118.87 1bx3 h TRP 365 Ca 0.30 -0.22 0.01 0.00 1.13 0.00 0.00 58.89 60.12 1bx3 h TRP 365 Cb 0.09 -0.29 -0.04 0.00 -0.51 0.00 0.00 29.16 28.41 1bx3 h TRP 365 CO -0.05 1.04 0.49 1.49 -1.03 0.00 0.00 178.44 180.38 1bx3 h GLU 366 N 0.92 0.97 -0.18 2.65 4.81 -0.84 -1.23 114.58 121.68 1bx3 h GLU 366 Ca 0.15 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1bx3 h GLU 366 Cb 0.62 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1bx3 h GLU 366 CO 0.04 0.64 0.05 0.28 -0.73 0.00 0.00 179.01 179.29 1bx3 h VAL 367 N 1.00 1.20 0.53 0.32 2.07 -0.98 -2.79 116.25 117.60 1bx3 h VAL 367 Ca 0.28 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1bx3 h VAL 367 Cb -0.09 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1bx3 h VAL 367 CO -0.07 0.19 -0.44 0.74 0.02 0.00 0.00 177.57 178.01 1bx3 h THR 368 N 0.10 0.13 -0.72 2.57 2.02 -0.62 -2.01 112.91 114.37 1bx3 h THR 368 Ca 0.06 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.33 1bx3 h THR 368 Cb 0.25 0.13 -0.07 0.00 -1.74 0.00 0.00 68.15 66.72 1bx3 h THR 368 CO -0.00 0.00 0.36 0.58 0.37 0.00 0.00 175.52 176.83 1bx3 h VAL 369 N -0.95 0.85 0.00 3.16 2.07 -1.31 -0.15 116.25 119.92 1bx3 h VAL 369 Ca -0.06 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1bx3 h VAL 369 Cb 0.81 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1bx3 h VAL 369 CO -0.01 0.11 0.00 0.11 0.02 0.00 0.00 177.57 177.80 1bx3 h LYS 370 N 0.61 0.00 0.11 1.57 1.57 -1.36 -1.93 116.57 117.13 1bx3 h LYS 370 Ca 0.35 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.78 1bx3 h LYS 370 Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1bx3 h LYS 370 CO -0.27 0.00 -1.99 2.41 -0.57 0.00 0.00 179.45 179.03 1bx3 n THR 371 N -2.49 1.75 -3.49 -0.16 -1.04 -0.19 -4.88 114.28 103.77 1bx3 n THR 371 Ca 0.02 -0.67 -0.36 0.00 -2.04 0.00 0.00 64.05 60.99 1bx3 n THR 371 Cb 0.25 -1.63 -0.06 0.00 -1.82 0.00 0.00 70.33 67.07 1bx3 n THR 371 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bx3 s ALA 373 N -1.29 0.29 -0.06 0.00 0.00 -0.83 -1.28 121.76 118.60 1bx3 s ALA 373 Ca 0.31 -0.25 0.05 0.00 0.00 0.00 0.00 51.96 52.07 1bx3 s ALA 373 Cb -0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1bx3 s ALA 373 CO 0.17 0.04 -0.21 -0.47 0.00 0.00 0.00 175.76 175.29 1bx3 s TYR 374 N -0.34 2.55 -0.25 0.00 5.04 -0.10 -0.78 117.35 123.48 1bx3 s TYR 374 Ca -0.01 -0.52 -0.03 0.00 -2.44 0.00 0.00 57.07 54.07 1bx3 s TYR 374 Cb -0.03 -1.63 0.02 0.00 0.35 0.00 0.00 41.96 40.67 1bx3 s TYR 374 CO -0.00 -0.08 -0.04 0.99 -1.34 0.00 0.00 175.55 175.08 1bx3 s THR 375 N -0.31 3.15 0.00 4.34 2.01 -0.66 -1.52 115.64 122.65 1bx3 s THR 375 Ca 0.01 -0.85 -0.20 0.00 0.31 0.00 0.00 61.69 60.96 1bx3 s THR 375 Cb -0.13 -2.56 -0.06 0.00 0.01 0.00 0.00 72.50 69.77 1bx3 s THR 375 CO 0.02 0.23 0.58 0.21 -0.69 0.00 0.00 174.62 174.98 1bx3 s ASN 376 N 1.39 6.97 0.00 3.53 3.84 -0.36 -1.36 114.94 128.95 1bx3 s ASN 376 Ca 0.02 1.16 0.07 0.00 0.21 0.00 0.00 52.86 54.31 1bx3 s ASN 376 Cb -0.16 -2.36 -0.01 0.00 -0.55 0.00 0.00 41.25 38.17 1bx3 s ASN 376 CO -0.03 0.13 0.50 1.41 -2.79 0.00 0.00 177.10 176.32 1bx3 n HIS 377 N 2.57 0.00 -3.50 0.43 8.25 -1.26 -3.96 115.22 117.75 1bx3 n HIS 377 Ca -0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.26 1bx3 n HIS 377 Cb 0.51 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.58 1bx3 n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1bx3 s THR 378 N -1.15 0.00 -0.31 1.59 -1.32 -1.26 -4.57 115.64 108.63 1bx3 s THR 378 Ca 0.05 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.68 1bx3 s THR 378 Cb 0.06 -1.00 -0.19 0.00 -1.51 0.00 0.00 72.50 69.85 1bx3 s THR 378 CO 0.19 0.00 0.44 1.33 -2.21 0.00 0.00 174.62 174.37 1bx3 n VAL 379 N 0.21 0.00 -1.68 5.08 0.24 -1.26 -4.95 118.33 115.96 1bx3 n VAL 379 Ca -0.14 -0.26 -0.47 0.00 -2.04 0.00 0.00 64.34 61.43 1bx3 n VAL 379 Cb 0.61 0.55 -0.04 0.00 -1.47 0.00 0.00 33.84 33.48 1bx3 n VAL 379 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1bx3 n ILE 380 N -1.70 0.59 -0.10 1.34 5.41 -1.26 -4.86 119.36 118.78 1bx3 n ILE 380 Ca -0.00 -0.11 0.14 0.00 1.00 0.00 0.00 62.75 63.78 1bx3 n ILE 380 Cb 0.30 -1.93 0.52 0.00 -0.71 0.00 0.00 39.64 37.83 1bx3 n ILE 380 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1bx3 h PRO 381 N 9.29 0.35 0.00 0.38 0.13 -1.97 -2.41 132.00 137.77 1bx3 h PRO 381 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1bx3 h PRO 381 Cb 1.27 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1bx3 h PRO 381 CO 0.95 0.23 0.00 -0.85 -0.23 0.00 0.00 178.00 178.10 1bx3 n GLU 382 N -4.46 0.84 -0.01 0.86 0.00 -1.26 -2.64 120.64 113.96 1bx3 n GLU 382 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.33 1bx3 n GLU 382 Cb 0.46 -1.29 -0.14 0.00 0.00 0.00 0.00 31.44 30.47 1bx3 n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1bx3 n ALA 383 N -0.79 2.43 -1.81 -1.84 0.00 -0.91 0.21 120.51 117.80 1bx3 n ALA 383 Ca 0.12 -0.67 -0.41 0.00 0.00 0.00 0.00 53.44 52.48 1bx3 n ALA 383 Cb 0.05 -0.68 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 1bx3 n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bx3 s LEU 384 N -4.91 4.36 -0.36 0.00 1.43 -1.08 -4.22 118.68 113.90 1bx3 s LEU 384 Ca -0.07 2.83 -0.22 0.00 -1.03 0.00 0.00 54.13 55.63 1bx3 s LEU 384 Cb 0.11 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.71 1bx3 s LEU 384 CO 0.87 -0.80 0.73 -1.61 0.23 0.00 0.00 176.35 175.78 1bx3 s GLU 385 N -0.70 3.72 -0.40 1.70 2.02 -1.26 -4.71 118.70 119.08 1bx3 s GLU 385 Ca 0.60 0.22 0.01 0.00 0.02 0.00 0.00 54.97 55.82 1bx3 s GLU 385 Cb -0.45 -3.81 0.12 0.00 0.10 0.00 0.00 34.13 30.10 1bx3 s GLU 385 CO 0.48 -0.81 0.19 1.03 0.02 0.00 0.00 175.26 176.16 1bx3 s ARG 386 N 2.96 1.15 0.06 1.61 0.52 -1.26 -1.97 118.95 122.01 1bx3 s ARG 386 Ca 0.29 -1.74 -0.30 0.00 -0.52 0.00 0.00 55.73 53.45 1bx3 s ARG 386 Cb -0.14 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 32.97 1bx3 s ARG 386 CO 0.16 -1.10 0.99 -1.58 0.02 0.00 0.00 175.30 173.79 1bx3 s TRP 387 N 0.74 3.71 0.23 -0.53 0.52 -1.01 -4.67 118.94 117.93 1bx3 s TRP 387 Ca 0.15 1.72 -0.32 0.00 0.02 0.00 0.00 56.10 57.68 1bx3 s TRP 387 Cb -0.22 -3.11 -0.12 0.00 -1.15 0.00 0.00 33.47 28.87 1bx3 s TRP 387 CO -0.07 0.01 1.68 -2.30 0.02 0.00 0.00 176.95 176.28 1bx3 n PRO 388 N 3.38 2.72 -0.06 4.98 -0.02 -1.26 -0.88 135.00 143.86 1bx3 n PRO 388 Ca 0.04 0.98 0.15 0.00 -2.02 0.00 0.00 63.50 62.65 1bx3 n PRO 388 Cb 0.50 -2.80 0.57 0.00 -0.02 0.00 0.00 33.50 31.74 1bx3 n PRO 388 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1bx3 h VAL 389 N 3.66 0.83 -0.58 -1.45 -1.51 -0.91 -1.27 116.25 115.01 1bx3 h VAL 389 Ca -0.44 -0.09 -0.04 0.00 -1.23 0.00 0.00 66.70 64.89 1bx3 h VAL 389 Cb 1.21 0.54 -0.03 0.00 -2.13 0.00 0.00 31.29 30.88 1bx3 h VAL 389 CO 0.91 0.05 0.18 1.12 -1.23 0.00 0.00 177.57 178.60 1bx3 h HIS 390 N 0.27 0.90 -0.07 5.19 2.07 -1.89 0.45 115.15 122.07 1bx3 h HIS 390 Ca 0.28 -0.07 -0.14 0.00 -2.85 0.00 0.00 60.37 57.59 1bx3 h HIS 390 Cb 0.73 -0.27 -0.01 0.00 2.57 0.00 0.00 27.41 30.43 1bx3 h HIS 390 CO -0.00 0.72 -0.59 1.25 -3.07 0.00 0.00 177.93 176.24 1bx3 h LEU 391 N 0.85 0.24 0.04 6.12 6.46 -1.61 -1.46 115.31 125.96 1bx3 h LEU 391 Ca 0.19 -0.14 -0.28 0.00 -0.12 0.00 0.00 57.88 57.54 1bx3 h LEU 391 Cb 0.25 -0.07 0.02 0.00 -0.73 0.00 0.00 40.66 40.12 1bx3 h LEU 391 CO -0.01 0.78 -1.17 -0.07 -0.62 0.00 0.00 178.44 177.35 1bx3 h LEU 392 N 0.16 0.73 -1.01 2.25 3.38 -1.07 -2.13 115.31 117.63 1bx3 h LEU 392 Ca -0.00 -0.66 -0.03 0.00 0.09 0.00 0.00 57.88 57.27 1bx3 h LEU 392 Cb 1.08 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1bx3 h LEU 392 CO 0.09 1.48 0.34 -0.08 0.09 0.00 0.00 178.44 180.36 1bx3 h GLU 393 N 0.24 1.04 0.15 1.13 4.81 0.03 0.20 114.58 122.19 1bx3 h GLU 393 Ca -0.15 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 1bx3 h GLU 393 Cb 1.83 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 31.03 1bx3 h GLU 393 CO 0.21 0.81 -0.07 1.15 -0.73 0.00 0.00 179.01 180.38 1bx3 h THR 394 N 1.03 0.79 -0.19 0.32 2.02 -1.30 -3.08 112.91 112.51 1bx3 h THR 394 Ca 0.25 -1.18 -0.17 0.00 0.77 0.00 0.00 66.41 66.08 1bx3 h THR 394 Cb 0.12 1.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1bx3 h THR 394 CO -0.03 0.22 -0.57 0.25 0.37 0.00 0.00 175.52 175.76 1bx3 h LEU 395 N -0.90 0.67 -5.92 2.58 5.85 -1.37 -3.38 115.31 112.83 1bx3 h LEU 395 Ca -0.02 -0.36 -0.51 0.00 0.84 0.00 0.00 57.88 57.82 1bx3 h LEU 395 Cb 0.51 -0.19 -0.37 0.00 0.37 0.00 0.00 40.66 40.98 1bx3 h LEU 395 CO 0.03 1.09 -1.08 0.18 -0.34 0.00 0.00 178.44 178.32 1bx3 n LEU 396 N -3.96 0.10 -0.32 2.25 4.77 0.69 -0.54 117.00 120.01 1bx3 n LEU 396 Ca -0.04 -4.67 0.15 0.00 -0.03 0.00 0.00 56.01 51.42 1bx3 n LEU 396 Cb 0.62 0.68 0.34 0.00 -2.33 0.00 0.00 43.42 42.72 1bx3 n LEU 396 CO 0.48 2.12 1.08 1.55 -1.33 0.00 0.00 177.39 181.29 1bx3 h PRO 397 N 3.73 0.44 -0.04 3.23 0.13 -1.51 -0.79 132.00 137.19 1bx3 h PRO 397 Ca 0.06 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 65.02 1bx3 h PRO 397 Cb 0.92 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1bx3 h PRO 397 CO 0.46 0.29 -0.62 -0.09 -0.23 0.00 0.00 178.00 177.81 1bx3 h ARG 398 N 0.45 0.16 -0.30 0.86 9.65 -1.89 -2.97 114.38 120.34 1bx3 h ARG 398 Ca 0.59 -0.11 -0.16 0.00 -1.10 0.00 0.00 59.98 59.20 1bx3 h ARG 398 Cb 1.13 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.72 1bx3 h ARG 398 CO -0.51 0.73 -0.44 0.45 2.80 0.00 0.00 179.97 182.99 1bx3 h HIS 399 N 0.12 0.92 -0.69 2.20 3.86 -1.51 -2.39 115.15 117.66 1bx3 h HIS 399 Ca -0.01 -0.29 -0.05 0.00 -1.16 0.00 0.00 60.37 58.86 1bx3 h HIS 399 Cb 1.12 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 29.37 1bx3 h HIS 399 CO 0.01 1.06 0.22 1.25 0.86 0.00 0.00 177.93 181.34 1bx3 h LEU 400 N 0.61 1.01 -0.74 2.43 5.85 -1.45 0.14 115.31 123.17 1bx3 h LEU 400 Ca 0.04 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1bx3 h LEU 400 Cb 1.00 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1bx3 h LEU 400 CO 0.10 0.95 0.41 1.56 -0.34 0.00 0.00 178.44 181.11 1bx3 h GLN 401 N 1.02 1.02 -0.22 1.25 4.20 -1.39 -0.44 115.11 120.54 1bx3 h GLN 401 Ca 0.22 -0.11 -0.13 0.00 0.06 0.00 0.00 58.65 58.69 1bx3 h GLN 401 Cb 0.30 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1bx3 h GLN 401 CO -0.01 0.75 -0.42 0.82 -0.67 0.00 0.00 178.83 179.31 1bx3 h ILE 402 N 1.01 1.30 -0.64 2.54 2.04 -0.98 -2.18 117.51 120.60 1bx3 h ILE 402 Ca 0.26 -1.59 -0.06 0.00 1.00 0.00 0.00 64.86 64.48 1bx3 h ILE 402 Cb 0.02 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1bx3 h ILE 402 CO -0.04 0.50 0.18 0.40 0.00 0.00 0.00 178.15 179.19 1bx3 h ILE 403 N 0.44 1.25 -0.50 -0.67 2.04 -0.15 0.14 117.51 120.05 1bx3 h ILE 403 Ca 0.04 -0.89 -0.08 0.00 1.00 0.00 0.00 64.86 64.92 1bx3 h ILE 403 Cb 0.91 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1bx3 h ILE 403 CO 0.08 0.34 -0.03 1.88 0.00 0.00 0.00 178.15 180.42 1bx3 h TYR 404 N 0.94 0.93 -0.33 1.37 0.05 -0.94 -0.70 116.97 118.28 1bx3 h TYR 404 Ca 0.21 -0.15 -0.17 0.00 0.05 0.00 0.00 58.73 58.67 1bx3 h TYR 404 Cb 0.33 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 37.81 1bx3 h TYR 404 CO 0.02 0.86 -0.45 1.49 -1.05 0.00 0.00 178.16 179.04 1bx3 h GLU 405 N 0.80 0.89 -0.29 4.88 4.57 -1.06 -1.68 114.58 122.69 1bx3 h GLU 405 Ca 0.15 -0.51 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 1bx3 h GLU 405 Cb 0.51 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 1bx3 h GLU 405 CO 0.03 1.16 0.19 0.82 -1.18 0.00 0.00 179.01 180.02 1bx3 h ILE 406 N 0.69 1.08 -0.09 2.32 2.04 -0.74 -2.70 117.51 120.10 1bx3 h ILE 406 Ca 0.04 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.75 1bx3 h ILE 406 Cb 1.05 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1bx3 h ILE 406 CO 0.10 0.08 -0.04 -1.13 0.00 0.00 0.00 178.15 177.17 1bx3 h ASN 407 N 0.39 -0.14 -0.01 1.72 -1.24 -1.00 -0.60 115.58 114.70 1bx3 h ASN 407 Ca 0.11 0.04 0.03 0.00 0.71 0.00 0.00 56.30 57.18 1bx3 h ASN 407 Cb -0.03 0.08 -0.04 0.00 0.73 0.00 0.00 38.32 39.06 1bx3 h ASN 407 CO -0.02 -0.06 -0.23 -0.61 -1.29 0.00 0.00 177.43 175.22 1bx3 h GLN 408 N -0.03 -0.35 -0.47 6.67 5.75 -1.18 0.10 115.11 125.60 1bx3 h GLN 408 Ca 0.05 0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.52 1bx3 h GLN 408 Cb 0.11 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 1bx3 h GLN 408 CO -0.11 -0.23 0.06 0.00 -2.65 0.00 0.00 178.83 175.89 1bx3 h ARG 409 N -0.36 0.74 -0.05 1.69 3.08 -1.41 0.12 114.38 118.19 1bx3 h ARG 409 Ca 0.06 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1bx3 h ARG 409 Cb 0.45 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1bx3 h ARG 409 CO -0.22 0.71 0.00 0.35 -1.07 0.00 0.00 179.97 179.74 1bx3 h PHE 410 N 0.71 0.09 -0.38 3.04 3.57 -0.64 -1.95 116.94 121.38 1bx3 h PHE 410 Ca 0.15 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 1bx3 h PHE 410 Cb 0.35 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1bx3 h PHE 410 CO 0.02 0.37 0.06 -0.07 -2.23 0.00 0.00 178.31 176.46 1bx3 h LEU 411 N -0.20 0.53 -1.48 0.59 3.38 -0.63 -0.48 115.31 117.02 1bx3 h LEU 411 Ca 0.01 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1bx3 h LEU 411 Cb 0.33 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1bx3 h LEU 411 CO 0.00 0.55 0.38 0.78 0.09 0.00 0.00 178.44 180.24 1bx3 h ASN 412 N 0.55 0.60 -0.28 -0.43 4.21 -0.51 0.20 115.58 119.92 1bx3 h ASN 412 Ca 0.13 -0.01 -0.17 0.00 1.21 0.00 0.00 56.30 57.46 1bx3 h ASN 412 Cb 0.26 -0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 37.31 1bx3 h ASN 412 CO 0.00 0.42 -0.47 0.03 -1.29 0.00 0.00 177.43 176.12 1bx3 h ARG 413 N 0.70 0.82 -0.33 0.81 3.08 -0.33 -2.39 114.38 116.74 1bx3 h ARG 413 Ca 0.22 -0.50 -0.02 0.00 0.07 0.00 0.00 59.98 59.75 1bx3 h ARG 413 Cb 0.02 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1bx3 h ARG 413 CO -0.05 1.14 0.12 0.28 -1.07 0.00 0.00 179.97 180.39 1bx3 h VAL 414 N 0.59 1.19 -0.45 2.04 2.07 -0.36 -1.39 116.25 119.93 1bx3 h VAL 414 Ca 0.02 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1bx3 h VAL 414 Cb 1.08 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1bx3 h VAL 414 CO 0.11 0.20 0.29 0.00 0.02 0.00 0.00 177.57 178.19 1bx3 h ALA 415 N 0.97 1.68 0.00 1.67 0.00 -0.63 0.30 119.26 123.24 1bx3 h ALA 415 Ca 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1bx3 h ALA 415 Cb 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1bx3 h ALA 415 CO -0.01 0.30 -0.08 0.00 0.00 0.00 0.00 179.25 179.47 1bx3 h ALA 416 N 1.72 0.96 0.00 0.00 0.00 -0.98 -2.32 119.26 118.64 1bx3 h ALA 416 Ca 0.16 -0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.76 1bx3 h ALA 416 Cb -0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1bx3 h ALA 416 CO -0.04 0.09 -1.79 0.00 0.00 0.00 0.00 179.25 177.52 1bx3 n ALA 417 N -2.12 1.73 -3.33 0.00 0.00 -0.45 -4.60 120.51 111.74 1bx3 n ALA 417 Ca 0.03 -0.81 -0.26 0.00 0.00 0.00 0.00 53.44 52.40 1bx3 n ALA 417 Cb 0.50 -0.72 -0.08 0.00 0.00 0.00 0.00 19.45 19.15 1bx3 n ALA 417 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1bx3 n PHE 418 N -2.87 0.29 -1.70 0.00 3.72 0.94 -5.09 117.46 112.75 1bx3 n PHE 418 Ca -0.17 -3.63 -0.44 0.00 -0.05 0.00 0.00 57.45 53.16 1bx3 n PHE 418 Cb 0.97 -0.23 -0.03 0.00 -0.94 0.00 0.00 39.48 39.25 1bx3 n PHE 418 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1bx3 n PRO 419 N 1.76 2.54 0.00 -1.08 -0.02 -0.88 -2.14 135.00 135.18 1bx3 n PRO 419 Ca 0.25 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.64 1bx3 n PRO 419 Cb 0.49 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 1bx3 n PRO 419 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bx3 n GLY 420 N 3.78 2.47 3.57 -1.23 0.00 -1.26 -4.96 105.19 107.56 1bx3 n GLY 420 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1bx3 n GLY 420 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bx3 s ASP 421 N -2.32 6.79 0.17 1.61 -1.08 -0.91 -4.78 116.67 116.14 1bx3 s ASP 421 Ca 0.00 -2.29 -0.08 0.00 -0.52 0.00 0.00 52.55 49.66 1bx3 s ASP 421 Cb 0.00 -2.57 0.04 0.00 -1.46 0.00 0.00 42.92 38.93 1bx3 s ASP 421 CO 0.00 -1.21 1.52 0.58 0.52 0.00 0.00 175.17 176.58 1bx3 h VAL 422 N 5.75 1.28 -0.03 1.11 2.07 -1.93 -3.04 116.25 121.46 1bx3 h VAL 422 Ca 0.39 -1.53 -0.10 0.00 0.82 0.00 0.00 66.70 66.28 1bx3 h VAL 422 Cb 0.90 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1bx3 h VAL 422 CO 1.44 0.51 -0.44 -0.78 0.02 0.00 0.00 177.57 178.32 1bx3 h ASP 423 N 0.70 0.06 -0.48 0.57 3.58 -1.99 -1.89 116.42 116.97 1bx3 h ASP 423 Ca 0.06 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.43 1bx3 h ASP 423 Cb 0.93 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.94 1bx3 h ASP 423 CO 0.09 0.49 0.11 -0.09 -2.88 0.00 0.00 179.24 176.96 1bx3 h ARG 424 N 0.05 0.83 -0.34 0.28 2.43 -1.95 0.74 114.38 116.42 1bx3 h ARG 424 Ca 0.00 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 1bx3 h ARG 424 Cb 0.80 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1bx3 h ARG 424 CO 0.06 0.77 0.13 -0.07 -1.51 0.00 0.00 179.97 179.35 1bx3 h LEU 425 N 0.80 0.48 -1.04 3.80 3.38 -1.28 0.72 115.31 122.16 1bx3 h LEU 425 Ca 0.17 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1bx3 h LEU 425 Cb 0.33 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1bx3 h LEU 425 CO 0.00 0.52 0.13 -0.09 0.09 0.00 0.00 178.44 179.09 1bx3 h ARG 426 N 0.40 0.81 -0.01 1.13 2.43 -0.82 -1.27 114.38 117.06 1bx3 h ARG 426 Ca 0.11 -0.16 -0.21 0.00 -0.81 0.00 0.00 59.98 58.91 1bx3 h ARG 426 Cb 0.20 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1bx3 h ARG 426 CO -0.01 0.73 -0.90 0.00 -1.51 0.00 0.00 179.97 178.29 1bx3 h ARG 427 N 0.79 0.37 0.00 0.20 3.08 -0.57 -3.29 114.38 114.95 1bx3 h ARG 427 Ca 0.17 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 1bx3 h ARG 427 Cb 0.29 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1bx3 h ARG 427 CO -0.00 1.05 -0.45 0.52 -1.07 0.00 0.00 179.97 180.03 1bx3 h MET 428 N 0.21 0.00 -6.43 0.04 2.86 -0.71 -3.48 114.93 107.42 1bx3 h MET 428 Ca -0.06 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 56.97 1bx3 h MET 428 Cb 1.52 0.00 0.12 0.00 0.06 0.00 0.00 31.60 33.30 1bx3 h MET 428 CO 0.15 0.12 -0.01 0.45 1.06 0.00 0.00 176.91 178.68 1bx3 n SER 429 N -3.01 0.71 0.22 1.22 2.88 -0.49 -4.88 113.62 110.27 1bx3 n SER 429 Ca 0.02 1.11 0.11 0.00 -1.33 0.00 0.00 58.87 58.78 1bx3 n SER 429 Cb 0.60 -1.24 0.37 0.00 -0.75 0.00 0.00 64.21 63.19 1bx3 n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1bx3 h LEU 430 N 1.64 0.00 -9.17 2.46 4.07 -1.91 -3.43 115.31 108.97 1bx3 h LEU 430 Ca -0.39 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 56.96 1bx3 h LEU 430 Cb 1.36 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.97 1bx3 h LEU 430 CO 0.58 0.14 -0.42 -0.69 -1.08 0.00 0.00 178.44 176.98 1bx3 s VAL 431 N -3.42 5.33 -0.22 1.22 1.01 -1.26 0.26 120.40 123.31 1bx3 s VAL 431 Ca 0.03 0.34 -0.08 0.00 0.00 0.00 0.00 61.98 62.28 1bx3 s VAL 431 Cb 0.08 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1bx3 s VAL 431 CO 0.64 0.35 0.07 -1.61 0.00 0.00 0.00 175.10 174.56 1bx3 s GLU 432 N 0.86 3.83 0.69 2.72 2.02 0.25 -4.96 118.70 124.11 1bx3 s GLU 432 Ca 0.11 -0.41 -0.11 0.00 0.02 0.00 0.00 54.97 54.59 1bx3 s GLU 432 Cb -0.13 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.81 1bx3 s GLU 432 CO 0.04 0.03 1.07 -2.00 0.02 0.00 0.00 175.26 174.41 1bx3 s GLU 433 N 1.03 3.00 0.00 1.61 2.56 -1.26 -1.78 118.70 123.86 1bx3 s GLU 433 Ca 0.04 0.70 0.00 0.00 0.00 0.00 0.00 54.97 55.72 1bx3 s GLU 433 Cb -0.14 -2.02 0.00 0.00 2.00 0.00 0.00 34.13 33.97 1bx3 s GLU 433 CO 0.03 -0.99 0.00 0.41 -0.56 0.00 0.00 175.26 174.15 1bx3 n GLY 434 N -2.54 -0.73 0.36 -1.50 0.00 -1.26 -4.88 105.19 94.65 1bx3 n GLY 434 Ca 0.07 -1.56 0.07 0.00 0.00 0.00 0.00 46.02 44.61 1bx3 n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bx3 h ALA 435 N 0.00 1.52 -3.20 4.61 0.00 -2.07 -3.34 119.26 116.78 1bx3 h ALA 435 Ca 0.00 0.03 -0.65 0.00 0.00 0.00 0.00 54.91 54.28 1bx3 h ALA 435 Cb 0.00 -0.20 -0.36 0.00 0.00 0.00 0.00 17.79 17.24 1bx3 h ALA 435 CO 0.00 0.21 -0.84 0.08 0.00 0.00 0.00 179.25 178.69 1bx3 s VAL 436 N -5.95 1.96 0.24 0.00 1.01 -1.26 -5.10 120.40 111.29 1bx3 s VAL 436 Ca -0.12 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.58 1bx3 s VAL 436 Cb 0.22 -1.84 -0.09 0.00 0.00 0.00 0.00 36.38 34.67 1bx3 s VAL 436 CO 0.81 0.42 1.28 -0.75 0.00 0.00 0.00 175.10 176.87 1bx3 s LYS 437 N 1.31 4.41 0.29 2.72 2.20 -1.26 -4.85 119.74 124.56 1bx3 s LYS 437 Ca 0.03 2.06 0.02 0.00 -0.36 0.00 0.00 55.97 57.71 1bx3 s LYS 437 Cb -0.14 -3.17 -0.05 0.00 -1.51 0.00 0.00 37.83 32.96 1bx3 s LYS 437 CO -0.11 -0.18 0.11 1.03 -0.36 0.00 0.00 175.35 175.84 1bx3 s ARG 438 N -0.62 1.51 -0.14 4.03 0.52 -0.74 -0.23 118.95 123.29 1bx3 s ARG 438 Ca 0.54 -1.84 0.01 0.00 -0.52 0.00 0.00 55.73 53.92 1bx3 s ARG 438 Cb -0.37 -0.30 -0.00 0.00 0.52 0.00 0.00 34.95 34.80 1bx3 s ARG 438 CO 0.42 -0.34 -0.18 0.42 0.02 0.00 0.00 175.30 175.64 1bx3 s ILE 439 N -3.64 2.50 -0.52 1.52 -1.09 -0.06 -0.58 121.20 119.34 1bx3 s ILE 439 Ca 0.36 -0.83 -0.25 0.00 -2.23 0.00 0.00 60.65 57.70 1bx3 s ILE 439 Cb 0.07 -2.03 0.03 0.00 -1.58 0.00 0.00 42.46 38.95 1bx3 s ILE 439 CO 0.15 0.53 0.96 0.21 -1.23 0.00 0.00 174.94 175.56 1bx3 s ASN 440 N 0.69 6.42 0.39 3.58 3.84 0.14 -2.39 114.94 127.62 1bx3 s ASN 440 Ca -0.08 -0.10 0.12 0.00 0.21 0.00 0.00 52.86 53.01 1bx3 s ASN 440 Cb -0.16 -2.46 0.80 0.00 -0.55 0.00 0.00 41.25 38.88 1bx3 s ASN 440 CO 0.01 -1.18 1.88 0.24 -2.79 0.00 0.00 177.10 175.27 1bx3 h MET 441 N 9.24 0.07 -0.47 0.43 2.86 -1.70 -1.87 114.93 123.49 1bx3 h MET 441 Ca -0.25 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.29 1bx3 h MET 441 Cb 1.07 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 1bx3 h MET 441 CO 1.07 0.33 -0.03 0.00 1.06 0.00 0.00 176.91 179.34 1bx3 h ALA 442 N 1.67 0.64 -0.61 6.32 0.00 -1.91 -0.51 119.26 124.86 1bx3 h ALA 442 Ca 0.01 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1bx3 h ALA 442 Cb 0.51 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1bx3 h ALA 442 CO 0.04 0.47 0.17 0.45 0.00 0.00 0.00 179.25 180.38 1bx3 h HIS 443 N 0.71 0.97 -0.53 0.00 3.86 -1.84 -0.98 115.15 117.33 1bx3 h HIS 443 Ca 0.13 -0.09 -0.05 0.00 -1.16 0.00 0.00 60.37 59.20 1bx3 h HIS 443 Cb 0.56 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 1bx3 h HIS 443 CO 0.04 0.79 0.14 1.25 0.86 0.00 0.00 177.93 181.01 1bx3 h LEU 444 N 0.91 0.80 -0.68 2.43 5.85 -1.01 -1.96 115.31 121.64 1bx3 h LEU 444 Ca 0.20 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 1bx3 h LEU 444 Cb 0.29 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1bx3 h LEU 444 CO -0.00 0.82 0.16 0.00 -0.34 0.00 0.00 178.44 179.07 1bx3 h ILE 446 N 1.03 1.27 -0.24 0.00 2.04 -1.10 -2.07 117.51 118.44 1bx3 h ILE 446 Ca 0.21 -0.98 -0.04 0.00 1.00 0.00 0.00 64.86 65.05 1bx3 h ILE 446 Cb 0.38 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1bx3 h ILE 446 CO 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 178.15 178.44 1bx3 h ALA 447 N 0.77 1.53 -0.68 1.87 0.00 -1.25 -3.10 119.26 118.40 1bx3 h ALA 447 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1bx3 h ALA 447 Cb 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1bx3 h ALA 447 CO 0.02 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.02 1bx3 n GLY 448 N -1.02 2.24 3.29 0.00 0.00 -0.19 -4.96 105.19 104.56 1bx3 n GLY 448 Ca 0.00 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 1bx3 n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bx3 s SER 449 N -1.04 2.50 0.08 1.61 0.01 -0.80 -3.76 113.70 112.30 1bx3 s SER 449 Ca 0.46 -0.76 0.25 0.00 1.31 0.00 0.00 55.95 57.22 1bx3 s SER 449 Cb 0.24 -0.13 0.51 0.00 0.21 0.00 0.00 66.02 66.84 1bx3 s SER 449 CO 0.32 -0.00 1.44 0.00 0.41 0.00 0.00 173.24 175.41 1bx3 n HIS 450 N 0.76 0.38 -3.85 2.43 1.44 -0.40 -4.85 115.22 111.13 1bx3 n HIS 450 Ca -0.17 0.11 -0.12 0.00 -2.01 0.00 0.00 57.72 55.53 1bx3 n HIS 450 Cb 0.55 -0.55 -0.13 0.00 0.12 0.00 0.00 29.99 29.98 1bx3 n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1bx3 s ALA 451 N -3.10 -0.18 -0.05 1.59 0.00 -1.26 -4.46 121.76 114.30 1bx3 s ALA 451 Ca 0.09 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.23 1bx3 s ALA 451 Cb 0.15 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.19 1bx3 s ALA 451 CO 0.69 -0.04 -0.05 0.08 0.00 0.00 0.00 175.76 176.43 1bx3 s VAL 452 N -0.05 0.59 0.06 0.00 1.01 0.53 -0.92 120.40 121.63 1bx3 s VAL 452 Ca -0.01 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.85 1bx3 s VAL 452 Cb -0.01 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 1bx3 s VAL 452 CO 0.00 0.24 -0.09 0.54 0.00 0.00 0.00 175.10 175.79 1bx3 s ASN 453 N 0.94 1.15 0.49 3.32 4.22 -0.58 0.05 114.94 124.53 1bx3 s ASN 453 Ca -0.11 -0.67 0.06 0.00 -2.14 0.00 0.00 52.86 50.01 1bx3 s ASN 453 Cb -0.14 0.02 0.03 0.00 1.28 0.00 0.00 41.25 42.44 1bx3 s ASN 453 CO 0.00 -0.22 0.67 -0.83 -2.04 0.00 0.00 177.10 174.68 1bx3 s GLY 454 N -1.94 1.88 -0.12 0.45 0.00 -1.06 -1.22 107.32 105.31 1bx3 s GLY 454 Ca -0.03 -1.66 0.16 0.00 0.00 0.00 0.00 44.72 43.19 1bx3 s GLY 454 CO 0.00 -1.40 1.50 3.33 0.00 0.00 0.00 173.10 176.54 1bx3 n VAL 455 N -2.07 1.87 -3.61 1.40 0.24 -1.25 -2.11 118.33 112.79 1bx3 n VAL 455 Ca 0.09 -1.37 -0.07 0.00 -2.04 0.00 0.00 64.34 60.95 1bx3 n VAL 455 Cb 0.60 0.06 -0.05 0.00 -1.47 0.00 0.00 33.84 32.98 1bx3 n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bx3 s ALA 456 N -2.03 -2.02 0.23 2.33 0.00 -1.26 -1.12 121.76 117.90 1bx3 s ALA 456 Ca 0.43 1.72 -0.08 0.00 0.00 0.00 0.00 51.96 54.03 1bx3 s ALA 456 Cb 0.30 -1.14 0.39 0.00 0.00 0.00 0.00 23.12 22.67 1bx3 s ALA 456 CO 0.18 -0.26 1.66 -0.09 0.00 0.00 0.00 175.76 177.25 1bx3 h ARG 457 N 2.71 0.16 -0.69 0.00 2.43 -1.89 0.16 114.38 117.26 1bx3 h ARG 457 Ca -0.18 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.94 1bx3 h ARG 457 Cb 1.17 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 1bx3 h ARG 457 CO 0.25 0.11 0.27 0.97 -1.51 0.00 0.00 179.97 180.06 1bx3 h ILE 458 N 0.17 1.24 -0.24 1.20 2.10 -1.90 -1.33 117.51 118.76 1bx3 h ILE 458 Ca 0.38 -0.76 -0.04 0.00 1.08 0.00 0.00 64.86 65.52 1bx3 h ILE 458 Cb 0.64 0.46 -0.01 0.00 -1.09 0.00 0.00 36.82 36.82 1bx3 h ILE 458 CO -0.55 0.30 0.00 -0.74 -1.08 0.00 0.00 178.15 176.09 1bx3 h HIS 459 N 0.98 0.46 -0.26 2.19 2.76 -1.42 -2.30 115.15 117.55 1bx3 h HIS 459 Ca 0.23 -0.08 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 1bx3 h HIS 459 Cb 0.21 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 1bx3 h HIS 459 CO 0.01 0.59 0.03 0.77 -1.30 0.00 0.00 177.93 178.03 1bx3 h SER 460 N 0.20 0.34 -0.20 3.26 0.02 -0.60 -2.11 113.55 114.46 1bx3 h SER 460 Ca 0.07 -0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 60.84 1bx3 h SER 460 Cb 0.40 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1bx3 h SER 460 CO 0.01 0.38 -0.41 -0.33 -1.14 0.00 0.00 176.83 175.34 1bx3 h GLU 461 N 0.37 0.62 0.00 3.45 4.39 -1.09 -3.05 114.58 119.27 1bx3 h GLU 461 Ca 0.09 -0.41 -0.03 0.00 0.34 0.00 0.00 59.36 59.34 1bx3 h GLU 461 Cb 0.20 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1bx3 h GLU 461 CO 0.00 1.03 -0.16 0.97 -1.16 0.00 0.00 179.01 179.69 1bx3 h ILE 462 N 0.30 0.60 -0.61 3.13 6.09 -1.14 -0.02 117.51 125.86 1bx3 h ILE 462 Ca 0.00 -0.72 -0.09 0.00 -1.37 0.00 0.00 64.86 62.69 1bx3 h ILE 462 Cb 1.01 1.47 -0.02 0.00 0.47 0.00 0.00 36.82 39.75 1bx3 h ILE 462 CO 0.09 0.16 0.05 -0.07 -3.07 0.00 0.00 178.15 175.30 1bx3 h LEU 463 N 0.00 1.02 -0.28 2.19 3.38 -1.28 0.24 115.31 120.58 1bx3 h LEU 463 Ca -0.00 -0.29 -0.18 0.00 0.09 0.00 0.00 57.88 57.51 1bx3 h LEU 463 Cb 0.46 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1bx3 h LEU 463 CO 0.02 1.05 -0.83 0.11 0.09 0.00 0.00 178.44 178.88 1bx3 h LYS 464 N 0.96 0.00 0.07 1.13 1.57 -1.36 0.21 116.57 119.14 1bx3 h LYS 464 Ca 0.18 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.85 1bx3 h LYS 464 Cb 0.50 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.82 1bx3 h LYS 464 CO 0.02 0.83 -0.53 0.87 -0.57 0.00 0.00 179.45 180.08 1bx3 h LYS 465 N 0.00 0.14 0.00 3.15 1.79 -0.79 -3.35 116.57 117.52 1bx3 h LYS 465 Ca -0.01 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1bx3 h LYS 465 Cb 1.51 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 32.25 1bx3 h LYS 465 CO 0.11 1.12 0.00 2.41 -1.08 0.00 0.00 179.45 182.01 1bx3 n THR 466 N -4.34 0.00 -0.35 -0.16 -1.04 0.81 -4.58 114.28 104.62 1bx3 n THR 466 Ca -0.14 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 61.90 1bx3 n THR 466 Cb 0.67 -0.56 0.09 0.00 -1.82 0.00 0.00 70.33 68.71 1bx3 n THR 466 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1bx3 n ILE 467 N -1.14 -0.45 -1.72 12.58 2.08 -1.14 -1.68 119.36 127.88 1bx3 n ILE 467 Ca 0.00 2.21 0.04 0.00 0.56 0.00 0.00 62.75 65.55 1bx3 n ILE 467 Cb 0.00 -2.99 0.18 0.00 -0.75 0.00 0.00 39.64 36.08 1bx3 n ILE 467 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 1bx3 n PHE 468 N -5.49 0.21 -0.31 1.39 3.72 0.73 -4.81 117.46 112.91 1bx3 n PHE 468 Ca 0.13 -1.47 0.15 0.00 -0.05 0.00 0.00 57.45 56.21 1bx3 n PHE 468 Cb 0.43 -0.25 0.33 0.00 -0.94 0.00 0.00 39.48 39.06 1bx3 n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1bx3 h LYS 469 N 1.10 0.24 -0.47 -1.08 3.64 -1.23 0.26 116.57 119.04 1bx3 h LYS 469 Ca 0.01 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.25 1bx3 h LYS 469 Cb 1.13 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1bx3 h LYS 469 CO 0.07 0.16 -0.16 -0.44 -2.27 0.00 0.00 179.45 176.81 1bx3 h ASP 470 N 0.25 0.95 -0.12 4.20 3.32 -1.87 -1.36 116.42 121.78 1bx3 h ASP 470 Ca 0.59 -0.38 -0.12 0.00 0.02 0.00 0.00 57.03 57.14 1bx3 h ASP 470 Cb 1.22 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 1bx3 h ASP 470 CO -0.64 1.11 -0.31 -0.26 -1.72 0.00 0.00 179.24 177.43 1bx3 h PHE 471 N 0.78 0.71 -0.70 4.55 0.04 -1.23 -2.53 116.94 118.55 1bx3 h PHE 471 Ca 0.11 -0.18 -0.07 0.00 2.80 0.00 0.00 57.97 60.63 1bx3 h PHE 471 Cb 0.72 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.68 1bx3 h PHE 471 CO 0.05 0.85 0.16 -0.92 -0.60 0.00 0.00 178.31 177.85 1bx3 h TYR 472 N 0.52 1.20 -0.20 -0.55 3.20 -0.38 -1.06 116.97 119.70 1bx3 h TYR 472 Ca 0.06 -0.15 -0.10 0.00 3.14 0.00 0.00 58.73 61.69 1bx3 h TYR 472 Cb 0.80 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1bx3 h TYR 472 CO 0.03 0.98 -0.29 0.93 -1.64 0.00 0.00 178.16 178.17 1bx3 h GLU 473 N 1.07 0.40 -0.13 1.82 5.08 -1.06 0.64 114.58 122.40 1bx3 h GLU 473 Ca 0.22 -0.16 -0.18 0.00 -1.00 0.00 0.00 59.36 58.24 1bx3 h GLU 473 Cb 0.39 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.63 1bx3 h GLU 473 CO 0.01 0.66 -0.62 1.25 -1.00 0.00 0.00 179.01 179.30 1bx3 h LEU 474 N 0.35 0.77 -6.19 1.33 5.85 -1.17 -3.40 115.31 112.86 1bx3 h LEU 474 Ca 0.05 -0.63 -0.56 0.00 0.84 0.00 0.00 57.88 57.58 1bx3 h LEU 474 Cb 0.70 -0.23 -0.37 0.00 0.37 0.00 0.00 40.66 41.13 1bx3 h LEU 474 CO 0.05 1.28 -0.99 -0.62 -0.34 0.00 0.00 178.44 177.82 1bx3 n GLU 475 N -4.10 0.36 -0.34 1.25 1.02 -0.43 -4.99 120.64 113.41 1bx3 n GLU 475 Ca -0.08 -3.12 0.09 0.00 -0.02 0.00 0.00 57.16 54.02 1bx3 n GLU 475 Cb 0.66 -1.52 0.27 0.00 -0.02 0.00 0.00 31.44 30.84 1bx3 n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1bx3 h PRO 476 N 5.10 0.89 0.00 3.49 0.13 -1.09 -2.45 132.00 138.07 1bx3 h PRO 476 Ca 0.20 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1bx3 h PRO 476 Cb 0.91 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 1bx3 h PRO 476 CO 0.38 0.59 -0.01 1.12 -0.23 0.00 0.00 178.00 179.85 1bx3 h HIS 477 N 0.92 0.00 -0.11 1.56 2.07 -1.94 -2.91 115.15 114.73 1bx3 h HIS 477 Ca 0.49 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.86 1bx3 h HIS 477 Cb 0.56 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.54 1bx3 h HIS 477 CO -0.00 0.01 -0.59 0.87 -3.07 0.00 0.00 177.93 175.15 1bx3 h LYS 478 N 0.00 0.36 -6.31 5.12 1.57 -1.66 -3.45 116.57 112.20 1bx3 h LYS 478 Ca -0.00 -0.24 -0.55 0.00 -1.87 0.00 0.00 60.65 57.99 1bx3 h LYS 478 Cb 0.06 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1bx3 h LYS 478 CO 0.00 0.84 0.39 -0.06 -0.57 0.00 0.00 179.45 180.05 1bx3 s PHE 479 N -3.84 3.61 0.29 -1.35 0.40 -1.10 -0.35 117.98 115.64 1bx3 s PHE 479 Ca -0.05 1.61 0.06 0.00 -0.60 0.00 0.00 56.93 57.94 1bx3 s PHE 479 Cb 0.12 -3.10 -0.02 0.00 0.51 0.00 0.00 43.02 40.53 1bx3 s PHE 479 CO 0.81 -0.06 0.20 1.04 0.70 0.00 0.00 175.22 177.91 1bx3 n GLN 480 N 4.21 0.42 -4.20 0.44 6.02 0.11 -4.94 117.38 119.44 1bx3 n GLN 480 Ca 0.06 -2.79 -0.16 0.00 -0.01 0.00 0.00 57.00 54.09 1bx3 n GLN 480 Cb 0.50 2.06 -0.14 0.00 1.02 0.00 0.00 30.24 33.69 1bx3 n GLN 480 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1bx3 s ASN 481 N -2.98 0.85 -0.38 1.08 3.84 -1.26 -2.57 114.94 113.52 1bx3 s ASN 481 Ca 0.28 -0.23 0.02 0.00 0.21 0.00 0.00 52.86 53.14 1bx3 s ASN 481 Cb 0.01 -0.06 0.15 0.00 -0.55 0.00 0.00 41.25 40.81 1bx3 s ASN 481 CO 0.20 0.02 0.31 -0.54 -2.79 0.00 0.00 177.10 174.30 1bx3 s LYS 482 N -0.53 0.68 0.21 0.43 -0.14 -0.90 -4.91 119.74 114.59 1bx3 s LYS 482 Ca -0.00 -1.41 -0.32 0.00 -1.36 0.00 0.00 55.97 52.88 1bx3 s LYS 482 Cb -0.04 -1.13 -0.12 0.00 -1.68 0.00 0.00 37.83 34.85 1bx3 s LYS 482 CO 0.00 -1.26 1.71 2.41 -0.76 0.00 0.00 175.35 177.45 1bx3 n THR 483 N 3.73 0.04 -0.59 2.17 -1.04 -1.26 -4.21 114.28 113.12 1bx3 n THR 483 Ca 0.17 -0.01 -0.31 0.00 -2.04 0.00 0.00 64.05 61.86 1bx3 n THR 483 Cb 0.43 -1.94 0.21 0.00 -1.82 0.00 0.00 70.33 67.20 1bx3 n THR 483 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1bx3 n ASN 484 N 3.85 -2.08 -3.83 8.00 5.03 -0.28 -4.63 115.26 121.31 1bx3 n ASN 484 Ca 0.16 -0.13 -0.08 0.00 0.87 0.00 0.00 54.58 55.41 1bx3 n ASN 484 Cb 0.34 -1.10 -0.02 0.00 -1.02 0.00 0.00 39.78 37.98 1bx3 n ASN 484 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1bx3 s GLY 485 N -2.10 0.08 0.12 7.41 0.00 -1.26 -4.78 107.32 106.79 1bx3 s GLY 485 Ca 0.62 -0.46 0.06 0.00 0.00 0.00 0.00 44.72 44.94 1bx3 s GLY 485 CO 0.66 -0.22 -0.15 -0.26 0.00 0.00 0.00 173.10 173.13 1bx3 s ILE 486 N -3.85 1.42 -0.04 0.90 -4.36 0.35 -4.46 121.20 111.16 1bx3 s ILE 486 Ca 0.14 -1.71 -0.29 0.00 -0.26 0.00 0.00 60.65 58.53 1bx3 s ILE 486 Cb -0.05 -1.55 -0.03 0.00 1.25 0.00 0.00 42.46 42.08 1bx3 s ILE 486 CO 0.08 -0.36 0.94 0.28 0.24 0.00 0.00 174.94 176.11 1bx3 s THR 487 N -2.00 4.88 -0.84 8.37 -1.32 -1.26 0.09 115.64 123.56 1bx3 s THR 487 Ca 0.09 1.94 0.16 0.00 -1.21 0.00 0.00 61.69 62.67 1bx3 s THR 487 Cb -0.06 -4.27 0.15 0.00 -1.51 0.00 0.00 72.50 66.82 1bx3 s THR 487 CO 0.04 0.13 1.50 -0.81 -2.21 0.00 0.00 174.62 173.27 1bx3 n PRO 488 N 4.23 0.06 0.00 7.08 -0.04 -1.26 -1.37 135.00 143.70 1bx3 n PRO 488 Ca 0.05 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1bx3 n PRO 488 Cb 0.50 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1bx3 n PRO 488 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1bx3 n ARG 489 N -1.72 0.00 -0.21 0.54 3.00 -1.26 -2.28 116.66 114.73 1bx3 n ARG 489 Ca 0.03 0.50 -0.07 0.00 -0.01 0.00 0.00 57.85 58.30 1bx3 n ARG 489 Cb 0.17 -1.11 0.03 0.00 0.00 0.00 0.00 32.46 31.55 1bx3 n ARG 489 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1bx3 h ARG 490 N 0.00 0.84 -0.06 5.56 2.43 -1.96 0.14 114.38 121.33 1bx3 h ARG 490 Ca 0.00 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1bx3 h ARG 490 Cb 0.00 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1bx3 h ARG 490 CO 0.00 0.69 0.00 0.91 -1.51 0.00 0.00 179.97 180.06 1bx3 n TRP 491 N -4.53 0.08 0.00 2.20 7.02 -0.47 -2.30 117.44 119.43 1bx3 n TRP 491 Ca 0.03 -0.04 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1bx3 n TRP 491 Cb 0.13 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.02 1bx3 n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 1bx3 n LEU 492 N -0.41 0.00 -0.17 -0.99 7.94 -0.99 -4.77 117.00 117.61 1bx3 n LEU 492 Ca 0.12 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 55.03 1bx3 n LEU 492 Cb 0.12 0.06 0.29 0.00 0.53 0.00 0.00 43.42 44.42 1bx3 n LEU 492 CO 0.09 -0.46 1.22 0.58 -1.11 0.00 0.00 177.39 177.71 1bx3 h VAL 493 N 0.00 1.17 0.14 1.96 2.07 -1.02 0.53 116.25 121.10 1bx3 h VAL 493 Ca 0.00 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1bx3 h VAL 493 Cb 0.00 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1bx3 h VAL 493 CO 0.00 0.17 -0.07 0.25 0.02 0.00 0.00 177.57 177.94 1bx3 h LEU 494 N 0.91 -0.16 -0.72 2.57 6.46 -0.84 -3.30 115.31 120.24 1bx3 h LEU 494 Ca 0.25 0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.90 1bx3 h LEU 494 Cb -0.10 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 39.85 1bx3 h LEU 494 CO -0.05 0.17 -0.55 0.00 -0.62 0.00 0.00 178.44 177.39 1bx3 n ASN 496 N -3.62 2.57 0.24 0.00 2.85 0.19 -4.91 115.26 112.58 1bx3 n ASN 496 Ca -0.00 -3.21 0.08 0.00 -0.11 0.00 0.00 54.58 51.33 1bx3 n ASN 496 Cb 0.61 -0.65 0.62 0.00 1.24 0.00 0.00 39.78 41.60 1bx3 n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1bx3 h PRO 497 N 3.94 0.03 -0.14 1.20 0.13 -1.64 -1.53 132.00 133.99 1bx3 h PRO 497 Ca 0.15 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.25 1bx3 h PRO 497 Cb 0.73 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 1bx3 h PRO 497 CO 0.70 0.04 -0.03 0.78 -0.23 0.00 0.00 178.00 179.26 1bx3 h GLY 498 N 0.08 0.28 0.94 1.56 0.00 -1.91 -1.14 103.07 102.89 1bx3 h GLY 498 Ca 0.01 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 1bx3 h GLY 498 CO 0.00 0.21 0.05 -2.00 0.00 0.00 0.00 176.54 174.80 1bx3 h LEU 499 N -0.05 0.66 -1.85 3.11 5.85 -1.83 -2.41 115.31 118.79 1bx3 h LEU 499 Ca 0.03 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1bx3 h LEU 499 Cb 0.45 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1bx3 h LEU 499 CO 0.01 0.77 -0.05 0.00 -0.34 0.00 0.00 178.44 178.83 1bx3 h ALA 500 N 0.92 1.87 0.19 1.25 0.00 -1.28 -1.66 119.26 120.54 1bx3 h ALA 500 Ca 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1bx3 h ALA 500 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1bx3 h ALA 500 CO 0.01 0.10 -0.09 1.49 0.00 0.00 0.00 179.25 180.76 1bx3 h GLU 501 N 0.03 -0.25 -0.12 0.00 4.57 -0.80 -1.84 114.58 116.18 1bx3 h GLU 501 Ca 0.01 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1bx3 h GLU 501 Cb 0.11 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1bx3 h GLU 501 CO 0.01 0.16 0.05 -0.84 -1.18 0.00 0.00 179.01 177.20 1bx3 h ILE 502 N -0.85 1.05 -0.16 2.32 3.07 -1.33 0.88 117.51 122.49 1bx3 h ILE 502 Ca -0.03 -0.15 -0.06 0.00 1.55 0.00 0.00 64.86 66.18 1bx3 h ILE 502 Cb 0.52 0.91 -0.00 0.00 -0.27 0.00 0.00 36.82 37.97 1bx3 h ILE 502 CO 0.04 0.06 -0.12 0.40 -1.05 0.00 0.00 178.15 177.47 1bx3 h ILE 503 N 0.16 1.33 -0.64 0.16 2.04 -1.33 -3.12 117.51 116.10 1bx3 h ILE 503 Ca 0.04 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 1bx3 h ILE 503 Cb 0.03 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 1bx3 h ILE 503 CO -0.01 0.37 0.34 0.00 0.00 0.00 0.00 178.15 178.85 1bx3 h ALA 504 N 0.64 1.39 -0.82 1.87 0.00 -0.40 -0.97 119.26 120.97 1bx3 h ALA 504 Ca 0.03 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 54.99 1bx3 h ALA 504 Cb 0.63 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1bx3 h ALA 504 CO 0.03 0.50 0.54 0.93 0.00 0.00 0.00 179.25 181.25 1bx3 h GLU 505 N 0.90 0.50 0.06 0.00 5.08 -0.81 0.33 114.58 120.64 1bx3 h GLU 505 Ca 0.23 -0.03 -0.35 0.00 -1.00 0.00 0.00 59.36 58.20 1bx3 h GLU 505 Cb 0.04 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1bx3 h GLU 505 CO -0.04 0.33 -2.00 0.54 -1.00 0.00 0.00 179.01 176.85 1bx3 n ARG 506 N -4.51 0.67 -0.07 2.33 5.12 -0.83 -4.68 116.66 114.69 1bx3 n ARG 506 Ca 0.16 0.31 0.04 0.00 -1.93 0.00 0.00 57.85 56.43 1bx3 n ARG 506 Cb 0.52 -1.65 0.07 0.00 -1.16 0.00 0.00 32.46 30.24 1bx3 n ARG 506 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1bx3 n ILE 507 N -3.74 0.56 -2.28 0.55 -5.35 -0.43 -5.12 119.36 103.55 1bx3 n ILE 507 Ca -0.38 -0.78 0.00 0.00 -0.27 0.00 0.00 62.75 61.33 1bx3 n ILE 507 Cb 0.94 0.79 0.00 0.00 -1.74 0.00 0.00 39.64 39.63 1bx3 n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bx3 n GLY 508 N 0.31 -1.90 0.03 3.28 0.00 0.11 -4.60 105.19 102.43 1bx3 n GLY 508 Ca 0.07 -1.69 0.09 0.00 0.00 0.00 0.00 46.02 44.48 1bx3 n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bx3 n GLU 509 N 0.00 0.99 -0.25 1.61 1.02 -1.26 -4.06 120.64 118.70 1bx3 n GLU 509 Ca 0.00 -0.07 0.25 0.00 -0.02 0.00 0.00 57.16 57.32 1bx3 n GLU 509 Cb 0.00 -1.36 0.61 0.00 -0.02 0.00 0.00 31.44 30.67 1bx3 n GLU 509 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1bx3 h GLU 510 N 0.16 0.21 0.00 3.49 5.08 -1.95 -0.81 114.58 120.75 1bx3 h GLU 510 Ca 0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1bx3 h GLU 510 Cb 0.45 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1bx3 h GLU 510 CO 0.00 0.14 -0.01 0.10 -1.00 0.00 0.00 179.01 178.24 1bx3 h TYR 511 N 0.22 0.00 -0.99 4.33 -0.00 -1.81 -2.74 116.97 115.98 1bx3 h TYR 511 Ca 0.49 0.00 0.22 0.00 -0.00 0.00 0.00 58.73 59.45 1bx3 h TYR 511 Cb 1.56 0.00 -0.09 0.00 -0.00 0.00 0.00 36.73 38.20 1bx3 h TYR 511 CO -0.00 0.01 0.63 0.82 -0.00 0.00 0.00 178.16 179.62 1bx3 h ILE 512 N 0.00 0.63 -0.10 -0.90 2.04 -1.49 0.74 117.51 118.43 1bx3 h ILE 512 Ca -0.00 -0.17 -0.11 0.00 1.00 0.00 0.00 64.86 65.58 1bx3 h ILE 512 Cb 0.03 0.08 -0.14 0.00 -0.74 0.00 0.00 36.82 36.04 1bx3 h ILE 512 CO 0.00 0.09 -0.66 -1.54 0.00 0.00 0.00 178.15 176.04 1bx3 n SER 513 N -4.63 1.94 -2.72 1.72 3.41 -1.07 -4.63 113.62 107.64 1bx3 n SER 513 Ca 0.23 -3.45 -0.07 0.00 -0.26 0.00 0.00 58.87 55.31 1bx3 n SER 513 Cb 0.73 -0.46 0.08 0.00 -0.26 0.00 0.00 64.21 64.30 1bx3 n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1bx3 n ASP 514 N -0.74 -2.24 0.27 4.04 2.03 0.08 -5.04 116.55 114.96 1bx3 n ASP 514 Ca 0.19 -2.98 0.17 0.00 0.52 0.00 0.00 54.79 52.68 1bx3 n ASP 514 Cb 0.82 1.59 0.92 0.00 -0.72 0.00 0.00 41.12 43.72 1bx3 n ASP 514 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1bx3 h LEU 515 N 3.31 0.00 -2.31 -2.67 5.85 -1.37 -2.30 115.31 115.82 1bx3 h LEU 515 Ca -0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1bx3 h LEU 515 Cb 1.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1bx3 h LEU 515 CO 0.14 0.00 0.05 0.44 -0.34 0.00 0.00 178.44 178.72 1bx3 h ASP 516 N 0.00 0.00 0.72 1.25 3.32 -1.85 0.72 116.42 120.58 1bx3 h ASP 516 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1bx3 h ASP 516 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1bx3 h ASP 516 CO -0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1bx3 n GLN 517 N -2.75 0.18 0.27 3.56 6.02 -0.87 -2.35 117.38 121.44 1bx3 n GLN 517 Ca -0.02 0.41 0.18 0.00 -0.01 0.00 0.00 57.00 57.56 1bx3 n GLN 517 Cb 0.10 -1.85 0.94 0.00 1.02 0.00 0.00 30.24 30.45 1bx3 n GLN 517 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1bx3 h LEU 518 N 0.00 0.00 -2.02 1.08 3.38 -1.07 -1.38 115.31 115.30 1bx3 h LEU 518 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1bx3 h LEU 518 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1bx3 h LEU 518 CO 0.00 0.00 -0.10 0.03 0.09 0.00 0.00 178.44 178.46 1bx3 h ARG 519 N 0.00 0.00 0.00 1.13 3.08 -1.07 -1.13 114.38 116.39 1bx3 h ARG 519 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bx3 h ARG 519 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1bx3 h ARG 519 CO 0.00 0.10 0.00 1.63 -1.07 0.00 0.00 179.97 180.63 1bx3 n LYS 520 N -3.75 0.13 0.07 0.04 5.02 -0.52 -1.58 118.16 117.58 1bx3 n LYS 520 Ca -0.02 0.54 0.12 0.00 -2.02 0.00 0.00 58.31 56.93 1bx3 n LYS 520 Cb 0.20 -1.85 0.46 0.00 -0.02 0.00 0.00 35.03 33.83 1bx3 n LYS 520 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1bx3 n LEU 521 N -2.11 0.47 0.28 -0.35 4.77 -0.43 -2.76 117.00 116.87 1bx3 n LEU 521 Ca 0.00 0.57 0.15 0.00 -0.03 0.00 0.00 56.01 56.70 1bx3 n LEU 521 Cb 0.09 -0.45 0.82 0.00 -2.33 0.00 0.00 43.42 41.56 1bx3 n LEU 521 CO 0.12 -0.24 1.03 -0.07 -1.33 0.00 0.00 177.39 176.90 1bx3 h LEU 522 N 0.00 0.00 -0.10 2.23 3.38 -1.49 -1.18 115.31 118.15 1bx3 h LEU 522 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bx3 h LEU 522 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1bx3 h LEU 522 CO 0.00 0.07 0.00 -1.20 0.09 0.00 0.00 178.44 177.40 1bx3 n SER 523 N -3.58 0.08 -0.72 -0.43 7.64 -1.11 -2.76 113.62 112.73 1bx3 n SER 523 Ca -0.02 0.52 0.06 0.00 1.01 0.00 0.00 58.87 60.45 1bx3 n SER 523 Cb 0.19 -0.54 0.18 0.00 -1.01 0.00 0.00 64.21 63.04 1bx3 n SER 523 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1bx3 n TYR 524 N -1.59 0.60 0.29 1.43 4.01 -0.44 -4.60 117.16 116.85 1bx3 n TYR 524 Ca 0.02 -0.58 0.18 0.00 -0.16 0.00 0.00 57.90 57.36 1bx3 n TYR 524 Cb 0.13 -0.09 0.98 0.00 -0.31 0.00 0.00 39.34 40.05 1bx3 n TYR 524 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 1bx3 h VAL 525 N 2.04 0.26 -0.17 -0.72 -1.51 -1.64 -0.61 116.25 113.90 1bx3 h VAL 525 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1bx3 h VAL 525 Cb 0.91 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 1bx3 h VAL 525 CO 0.05 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.86 1bx3 n ASP 526 N -3.44 2.34 -4.63 4.19 8.00 -1.26 -4.87 116.55 116.89 1bx3 n ASP 526 Ca -0.01 -1.84 -0.43 0.00 0.71 0.00 0.00 54.79 53.22 1bx3 n ASP 526 Cb 0.19 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.16 1bx3 n ASP 526 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1bx3 s ASP 527 N -0.90 6.78 0.46 -2.24 -1.08 -0.24 -4.92 116.67 114.53 1bx3 s ASP 527 Ca 0.13 0.92 0.13 0.00 -0.52 0.00 0.00 52.55 53.20 1bx3 s ASP 527 Cb 0.07 -2.54 1.04 0.00 -1.46 0.00 0.00 42.92 40.03 1bx3 s ASP 527 CO 0.09 -1.04 2.05 -0.33 0.52 0.00 0.00 175.17 176.47 1bx3 h GLU 528 N 8.72 0.13 0.15 4.34 4.39 -1.93 -1.41 114.58 128.97 1bx3 h GLU 528 Ca -0.22 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 1bx3 h GLU 528 Cb 1.07 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1bx3 h GLU 528 CO 1.06 0.18 -0.07 0.00 -1.16 0.00 0.00 179.01 179.02 1bx3 h ALA 529 N 1.84 -0.20 -0.89 3.43 0.00 -1.95 -1.85 119.26 119.65 1bx3 h ALA 529 Ca 0.03 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1bx3 h ALA 529 Cb 0.14 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1bx3 h ALA 529 CO 0.00 -0.38 0.58 0.35 0.00 0.00 0.00 179.25 179.81 1bx3 h PHE 530 N -0.67 1.12 -0.65 0.00 3.57 -1.84 0.77 116.94 119.24 1bx3 h PHE 530 Ca -0.02 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1bx3 h PHE 530 Cb 0.49 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1bx3 h PHE 530 CO 0.06 0.71 0.27 0.82 -2.23 0.00 0.00 178.31 177.95 1bx3 h ILE 531 N 1.21 1.23 0.08 1.41 2.04 -1.26 0.73 117.51 122.94 1bx3 h ILE 531 Ca 0.32 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 1bx3 h ILE 531 Cb -0.13 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1bx3 h ILE 531 CO -0.07 0.29 -0.04 -0.09 0.00 0.00 0.00 178.15 178.24 1bx3 h ARG 532 N 0.91 -0.10 -0.45 2.37 2.43 -0.49 -2.80 114.38 116.24 1bx3 h ARG 532 Ca 0.22 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 1bx3 h ARG 532 Cb 0.19 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1bx3 h ARG 532 CO -0.02 0.07 0.17 -0.44 -1.51 0.00 0.00 179.97 178.25 1bx3 h ASP 533 N -0.27 0.63 -0.49 -3.80 3.32 -0.68 0.12 116.42 115.27 1bx3 h ASP 533 Ca -0.01 -0.18 0.04 0.00 0.02 0.00 0.00 57.03 56.90 1bx3 h ASP 533 Cb 0.23 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 1bx3 h ASP 533 CO 0.02 0.64 0.24 0.58 -1.72 0.00 0.00 179.24 179.00 1bx3 h VAL 534 N 0.59 0.96 -0.71 -1.35 2.07 -0.89 0.19 116.25 117.10 1bx3 h VAL 534 Ca 0.15 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 1bx3 h VAL 534 Cb 0.21 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1bx3 h VAL 534 CO -0.01 0.09 0.17 0.00 0.02 0.00 0.00 177.57 177.84 1bx3 h ALA 535 N 1.26 0.96 -0.08 1.67 0.00 -1.28 -2.25 119.26 119.54 1bx3 h ALA 535 Ca 0.21 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bx3 h ALA 535 Cb 0.12 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1bx3 h ALA 535 CO -0.15 0.67 0.04 -0.22 0.00 0.00 0.00 179.25 179.58 1bx3 h LYS 536 N 1.08 0.12 -0.39 0.00 3.64 0.21 -2.36 116.57 118.87 1bx3 h LYS 536 Ca 0.22 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.64 1bx3 h LYS 536 Cb 0.37 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 1bx3 h LYS 536 CO 0.00 0.22 0.12 0.28 -2.27 0.00 0.00 179.45 177.80 1bx3 h VAL 537 N -0.01 0.85 -0.72 2.00 2.07 -0.55 -1.54 116.25 118.35 1bx3 h VAL 537 Ca 0.03 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.49 1bx3 h VAL 537 Cb 0.15 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1bx3 h VAL 537 CO -0.00 0.05 0.48 0.50 0.02 0.00 0.00 177.57 178.61 1bx3 h LYS 538 N 0.26 0.87 -0.07 1.57 1.63 -1.29 -1.15 116.57 118.38 1bx3 h LYS 538 Ca 0.18 -0.05 -0.15 0.00 -0.85 0.00 0.00 60.65 59.78 1bx3 h LYS 538 Cb 0.19 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1bx3 h LYS 538 CO -0.21 0.57 -0.61 0.37 -3.45 0.00 0.00 179.45 176.12 1bx3 h GLN 539 N 0.89 0.26 -0.38 1.90 5.75 -0.87 -1.98 115.11 120.68 1bx3 h GLN 539 Ca 0.28 -0.18 -0.08 0.00 -0.15 0.00 0.00 58.65 58.52 1bx3 h GLN 539 Cb 0.03 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1bx3 h GLN 539 CO -0.08 0.79 -0.07 0.93 -2.65 0.00 0.00 178.83 177.75 1bx3 h GLU 540 N 0.19 0.72 -0.84 1.69 5.08 -0.41 -1.12 114.58 119.89 1bx3 h GLU 540 Ca -0.01 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 1bx3 h GLU 540 Cb 1.12 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 1bx3 h GLU 540 CO 0.10 0.86 0.40 -0.91 -1.00 0.00 0.00 179.01 178.46 1bx3 h ASN 541 N 0.53 1.09 -0.38 1.42 2.35 -1.15 -0.80 115.58 118.64 1bx3 h ASN 541 Ca 0.10 -0.13 -0.12 0.00 -0.55 0.00 0.00 56.30 55.60 1bx3 h ASN 541 Cb 0.58 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1bx3 h ASN 541 CO 0.03 0.92 -0.20 0.11 -1.65 0.00 0.00 177.43 176.64 1bx3 h LYS 542 N 1.19 0.88 -0.44 0.81 1.57 -1.18 0.24 116.57 119.64 1bx3 h LYS 542 Ca 0.29 -0.35 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 1bx3 h LYS 542 Cb 0.11 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1bx3 h LYS 542 CO -0.04 1.00 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.62 1bx3 h LEU 543 N 0.77 0.84 -0.16 2.94 3.38 -0.89 -0.78 115.31 121.40 1bx3 h LEU 543 Ca 0.11 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1bx3 h LEU 543 Cb 0.74 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1bx3 h LEU 543 CO 0.06 0.99 -0.01 0.50 0.09 0.00 0.00 178.44 180.07 1bx3 h LYS 544 N 0.75 0.30 -0.42 1.13 3.64 -0.86 -1.11 116.57 119.99 1bx3 h LYS 544 Ca 0.12 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1bx3 h LYS 544 Cb 0.67 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1bx3 h LYS 544 CO 0.05 0.53 0.05 0.35 -2.27 0.00 0.00 179.45 178.16 1bx3 h PHE 545 N 0.03 0.67 -0.75 1.91 3.57 -0.83 -0.67 116.94 120.86 1bx3 h PHE 545 Ca 0.04 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1bx3 h PHE 545 Cb 0.41 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1bx3 h PHE 545 CO 0.04 0.61 0.33 0.00 -2.23 0.00 0.00 178.31 177.07 1bx3 h ALA 546 N 1.43 0.98 -0.38 2.41 0.00 -0.94 -1.71 119.26 121.05 1bx3 h ALA 546 Ca 0.14 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1bx3 h ALA 546 Cb 0.32 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1bx3 h ALA 546 CO 0.01 0.57 -0.09 0.00 0.00 0.00 0.00 179.25 179.74 1bx3 h ALA 547 N 1.17 1.14 0.36 0.00 0.00 -0.45 -1.39 119.26 120.09 1bx3 h ALA 547 Ca 0.26 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1bx3 h ALA 547 Cb 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1bx3 h ALA 547 CO -0.03 0.54 -0.17 -0.92 0.00 0.00 0.00 179.25 178.67 1bx3 h TYR 548 N 0.59 -0.45 -0.65 0.00 3.20 -0.57 0.43 116.97 119.52 1bx3 h TYR 548 Ca 0.11 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.02 1bx3 h TYR 548 Cb 0.51 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.89 1bx3 h TYR 548 CO 0.02 -0.20 0.43 -0.07 -1.64 0.00 0.00 178.16 176.70 1bx3 h LEU 549 N -0.63 0.62 -0.18 2.82 3.38 -1.21 0.11 115.31 120.21 1bx3 h LEU 549 Ca -0.05 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1bx3 h LEU 549 Cb 0.46 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1bx3 h LEU 549 CO 0.08 0.41 -0.33 -0.08 0.09 0.00 0.00 178.44 178.62 1bx3 h GLU 550 N 0.71 0.55 0.19 1.13 4.57 -1.05 -1.11 114.58 119.57 1bx3 h GLU 550 Ca 0.27 -0.34 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1bx3 h GLU 550 Cb 0.17 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1bx3 h GLU 550 CO -0.08 0.95 -0.09 -0.09 -1.18 0.00 0.00 179.01 178.52 1bx3 h ARG 551 N 0.21 -0.24 0.11 1.92 2.43 -0.29 -2.03 114.38 116.49 1bx3 h ARG 551 Ca 0.01 0.02 -0.28 0.00 -0.81 0.00 0.00 59.98 58.92 1bx3 h ARG 551 Cb 0.92 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1bx3 h ARG 551 CO 0.07 0.10 -1.30 0.93 -1.51 0.00 0.00 179.97 178.26 1bx3 h GLU 552 N -0.62 0.24 0.00 0.20 4.39 -0.93 -3.39 114.58 114.46 1bx3 h GLU 552 Ca -0.03 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1bx3 h GLU 552 Cb 0.45 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1bx3 h GLU 552 CO 0.04 1.16 0.00 0.66 -1.16 0.00 0.00 179.01 179.71 1bx3 n TYR 553 N -3.49 0.00 -2.03 4.33 4.01 -0.73 -5.00 117.16 114.25 1bx3 n TYR 553 Ca -0.10 -0.10 -0.20 0.00 -0.16 0.00 0.00 57.90 57.34 1bx3 n TYR 553 Cb 1.02 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 40.00 1bx3 n TYR 553 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1bx3 n LYS 554 N -0.10 -1.54 -3.57 -0.72 3.00 -0.50 -4.95 118.16 109.77 1bx3 n LYS 554 Ca 0.00 1.10 -0.37 0.00 -0.00 0.00 0.00 58.31 59.04 1bx3 n LYS 554 Cb 0.10 -5.61 -0.09 0.00 0.00 0.00 0.00 35.03 29.43 1bx3 n LYS 554 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1bx3 s VAL 555 N -2.90 5.31 -0.27 3.15 1.01 -0.72 -4.92 120.40 121.05 1bx3 s VAL 555 Ca 0.00 0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.24 1bx3 s VAL 555 Cb 0.00 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 1bx3 s VAL 555 CO 0.00 0.32 0.18 -2.28 0.00 0.00 0.00 175.10 173.32 1bx3 s HIS 556 N 1.07 3.24 0.09 5.22 2.46 -1.26 -3.26 115.29 122.85 1bx3 s HIS 556 Ca 0.12 0.14 0.08 0.00 0.47 0.00 0.00 55.06 55.87 1bx3 s HIS 556 Cb -0.14 -2.35 -0.04 0.00 -0.13 0.00 0.00 32.58 29.92 1bx3 s HIS 556 CO 0.05 -0.11 -0.18 0.96 -2.47 0.00 0.00 174.74 172.99 1bx3 s ILE 557 N 1.60 2.83 -0.37 0.89 -4.36 -1.26 -5.09 121.20 115.44 1bx3 s ILE 557 Ca 0.07 -1.38 -0.29 0.00 -0.26 0.00 0.00 60.65 58.79 1bx3 s ILE 557 Cb -0.15 -2.26 0.00 0.00 1.25 0.00 0.00 42.46 41.30 1bx3 s ILE 557 CO 0.09 0.19 1.42 0.21 0.24 0.00 0.00 174.94 177.10 1bx3 s ASN 558 N -1.87 6.39 0.61 4.36 3.84 -1.26 -4.91 114.94 122.09 1bx3 s ASN 558 Ca 0.17 0.99 0.39 0.00 0.21 0.00 0.00 52.86 54.62 1bx3 s ASN 558 Cb -0.11 -2.54 1.89 0.00 -0.55 0.00 0.00 41.25 39.95 1bx3 s ASN 558 CO 0.08 -1.36 2.18 1.55 -2.79 0.00 0.00 177.10 176.76 1bx3 h PRO 559 N 10.51 0.00 -1.57 0.43 0.13 -1.98 -3.01 132.00 136.51 1bx3 h PRO 559 Ca -0.28 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.14 1bx3 h PRO 559 Cb 1.11 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.94 1bx3 h PRO 559 CO 1.07 0.00 0.72 0.09 -0.23 0.00 0.00 178.00 179.65 1bx3 n ASN 560 N -3.10 7.16 -4.29 1.44 5.03 -1.26 -4.93 115.26 115.31 1bx3 n ASN 560 Ca -0.01 -3.81 -0.16 0.00 0.87 0.00 0.00 54.58 51.47 1bx3 n ASN 560 Cb 0.19 -0.94 -0.10 0.00 -1.02 0.00 0.00 39.78 37.91 1bx3 n ASN 560 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1bx3 s SER 561 N -1.70 1.93 -0.09 6.41 1.04 -1.14 -4.78 113.70 115.37 1bx3 s SER 561 Ca 0.56 -1.07 -0.30 0.00 0.48 0.00 0.00 55.95 55.62 1bx3 s SER 561 Cb 0.46 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 1bx3 s SER 561 CO -0.24 -0.36 1.11 -0.22 0.98 0.00 0.00 173.24 174.50 1bx3 s LEU 562 N -3.23 4.25 -0.73 2.42 0.20 0.10 -4.81 118.68 116.89 1bx3 s LEU 562 Ca 0.21 1.66 -0.22 0.00 0.69 0.00 0.00 54.13 56.47 1bx3 s LEU 562 Cb 0.03 -3.56 0.08 0.00 -0.43 0.00 0.00 46.19 42.31 1bx3 s LEU 562 CO 0.04 -0.53 1.04 -0.36 -0.29 0.00 0.00 176.35 176.24 1bx3 s PHE 563 N 2.22 2.71 -0.54 5.38 0.40 -1.26 -1.14 117.98 125.76 1bx3 s PHE 563 Ca 0.52 -0.67 -0.19 0.00 -0.60 0.00 0.00 56.93 55.99 1bx3 s PHE 563 Cb -0.21 -4.33 0.08 0.00 0.51 0.00 0.00 43.02 39.06 1bx3 s PHE 563 CO 0.19 -1.67 0.65 0.34 0.70 0.00 0.00 175.22 175.44 1bx3 s ASP 564 N 3.74 6.20 -0.14 1.36 2.15 -0.95 -1.38 116.67 127.65 1bx3 s ASP 564 Ca 0.26 -1.13 -0.00 0.00 0.43 0.00 0.00 52.55 52.11 1bx3 s ASP 564 Cb -0.13 -2.29 -0.01 0.00 -0.30 0.00 0.00 42.92 40.18 1bx3 s ASP 564 CO 0.06 -0.98 -0.14 -0.69 -0.17 0.00 0.00 175.17 173.26 1bx3 s VAL 565 N 2.64 2.90 -0.33 1.11 1.01 -0.46 -0.37 120.40 126.90 1bx3 s VAL 565 Ca 0.13 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1bx3 s VAL 565 Cb -0.21 -2.22 0.10 0.00 0.00 0.00 0.00 36.38 34.04 1bx3 s VAL 565 CO 0.09 0.52 0.06 -1.58 0.00 0.00 0.00 175.10 174.19 1bx3 s GLN 566 N 0.59 1.24 -0.17 2.72 0.74 -0.02 -1.77 119.66 122.99 1bx3 s GLN 566 Ca -0.08 -1.62 0.01 0.00 0.05 0.00 0.00 55.36 53.71 1bx3 s GLN 566 Cb -0.16 -2.82 0.02 0.00 1.10 0.00 0.00 33.01 31.15 1bx3 s GLN 566 CO 0.03 -0.95 -0.17 0.14 -0.55 0.00 0.00 175.29 173.79 1bx3 s VAL 567 N 1.13 1.88 0.00 1.34 -7.23 -1.26 -1.29 120.40 114.97 1bx3 s VAL 567 Ca 0.10 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.42 1bx3 s VAL 567 Cb -0.18 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 35.02 1bx3 s VAL 567 CO -0.13 0.48 0.00 2.29 -0.31 0.00 0.00 175.10 177.43 1bx3 n LYS 568 N 4.67 0.00 -1.71 4.82 2.85 -0.84 -4.99 118.16 122.97 1bx3 n LYS 568 Ca -0.19 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.66 1bx3 n LYS 568 Cb 0.50 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.89 1bx3 n LYS 568 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1bx3 n ARG 569 N -0.05 2.02 -2.44 -1.58 5.12 -1.26 -3.96 116.66 114.51 1bx3 n ARG 569 Ca 0.00 0.72 -0.42 0.00 -1.93 0.00 0.00 57.85 56.22 1bx3 n ARG 569 Cb 0.00 -2.41 -0.03 0.00 -1.16 0.00 0.00 32.46 28.86 1bx3 n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1bx3 s ILE 570 N -1.18 3.84 0.05 0.55 -1.09 -0.48 -4.88 121.20 118.01 1bx3 s ILE 570 Ca 0.60 0.73 -0.01 0.00 -2.23 0.00 0.00 60.65 59.74 1bx3 s ILE 570 Cb -0.51 -4.51 -0.04 0.00 -1.58 0.00 0.00 42.46 35.82 1bx3 s ILE 570 CO 0.59 -1.22 -0.03 -2.28 -1.23 0.00 0.00 174.94 170.77 1bx3 s HIS 571 N 5.76 0.54 0.29 3.97 2.46 -1.26 -4.65 115.29 122.39 1bx3 s HIS 571 Ca 0.50 -1.05 0.05 0.00 0.47 0.00 0.00 55.06 55.02 1bx3 s HIS 571 Cb -0.10 -0.39 0.44 0.00 -0.13 0.00 0.00 32.58 32.40 1bx3 s HIS 571 CO 0.25 -0.36 1.71 0.93 -2.47 0.00 0.00 174.74 174.80 1bx3 h GLU 572 N 3.17 0.35 0.00 2.88 5.08 -1.98 -2.93 114.58 121.15 1bx3 h GLU 572 Ca -0.34 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1bx3 h GLU 572 Cb 1.14 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1bx3 h GLU 572 CO 0.65 0.65 0.00 0.10 -1.00 0.00 0.00 179.01 179.41 1bx3 h TYR 573 N 0.30 0.00 0.00 4.33 -0.00 -1.97 -2.12 116.97 117.51 1bx3 h TYR 573 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.77 1bx3 h TYR 573 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.48 1bx3 h TYR 573 CO 0.02 0.00 -0.38 1.63 -0.00 0.00 0.00 178.16 179.43 1bx3 n LYS 574 N -2.69 0.25 -3.65 0.10 4.01 -1.11 -2.77 118.16 112.30 1bx3 n LYS 574 Ca 0.02 0.12 -0.21 0.00 -0.51 0.00 0.00 58.31 57.73 1bx3 n LYS 574 Cb 0.32 -1.71 0.04 0.00 -0.51 0.00 0.00 35.03 33.18 1bx3 n LYS 574 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1bx3 n ARG 575 N -2.10 -4.53 0.30 1.97 1.74 -0.80 -4.13 116.66 109.12 1bx3 n ARG 575 Ca 0.04 0.64 0.19 0.00 -0.77 0.00 0.00 57.85 57.95 1bx3 n ARG 575 Cb 0.43 -5.17 0.91 0.00 -1.02 0.00 0.00 32.46 27.60 1bx3 n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1bx3 h GLN 576 N -1.82 0.00 -0.24 5.56 7.50 -1.84 -0.86 115.11 123.41 1bx3 h GLN 576 Ca -0.61 0.00 -0.15 0.00 0.50 0.00 0.00 58.65 58.39 1bx3 h GLN 576 Cb 1.35 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.88 1bx3 h GLN 576 CO 0.54 0.02 -0.45 -0.07 -1.50 0.00 0.00 178.83 177.37 1bx3 h LEU 577 N 0.00 0.67 -0.48 1.46 3.38 -1.90 -1.02 115.31 117.42 1bx3 h LEU 577 Ca -0.00 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1bx3 h LEU 577 Cb 0.29 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1bx3 h LEU 577 CO 0.00 1.02 0.29 0.25 0.09 0.00 0.00 178.44 180.09 1bx3 h LEU 578 N 0.50 0.58 -1.10 1.67 5.85 -1.52 -0.25 115.31 121.03 1bx3 h LEU 578 Ca 0.03 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1bx3 h LEU 578 Cb 0.98 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1bx3 h LEU 578 CO 0.09 0.46 0.52 -1.13 -0.34 0.00 0.00 178.44 178.04 1bx3 h ASN 579 N 0.64 0.99 -0.42 1.25 -0.00 -1.38 -1.84 115.58 114.81 1bx3 h ASN 579 Ca 0.17 -0.05 -0.01 0.00 -0.00 0.00 0.00 56.30 56.41 1bx3 h ASN 579 Cb -0.01 -0.25 -0.02 0.00 -0.00 0.00 0.00 38.32 38.05 1bx3 h ASN 579 CO -0.03 0.75 0.21 0.00 -0.00 0.00 0.00 177.43 178.36 1bx3 h LEU 581 N 0.54 0.89 -0.39 0.00 3.38 -0.49 -1.31 115.31 117.93 1bx3 h LEU 581 Ca 0.15 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1bx3 h LEU 581 Cb 0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1bx3 h LEU 581 CO -0.02 0.61 0.07 -0.74 0.09 0.00 0.00 178.44 178.46 1bx3 h HIS 582 N 1.04 0.68 -0.65 1.13 2.76 -0.95 -0.79 115.15 118.38 1bx3 h HIS 582 Ca 0.33 -0.09 0.04 0.00 -2.20 0.00 0.00 60.37 58.45 1bx3 h HIS 582 Cb 0.00 -0.19 -0.05 0.00 1.55 0.00 0.00 27.41 28.73 1bx3 h HIS 582 CO -0.02 0.67 0.39 0.28 -1.30 0.00 0.00 177.93 177.94 1bx3 h VAL 583 N 0.49 1.04 -0.23 5.26 2.07 -0.76 0.05 116.25 124.19 1bx3 h VAL 583 Ca 0.12 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 1bx3 h VAL 583 Cb 0.35 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1bx3 h VAL 583 CO 0.01 0.14 -0.26 0.40 0.02 0.00 0.00 177.57 177.88 1bx3 h ILE 584 N 0.74 1.26 -0.33 4.57 2.04 -1.05 -1.72 117.51 123.02 1bx3 h ILE 584 Ca 0.27 -1.25 -0.00 0.00 1.00 0.00 0.00 64.86 64.88 1bx3 h ILE 584 Cb 0.07 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1bx3 h ILE 584 CO -0.13 0.39 0.20 0.74 0.00 0.00 0.00 178.15 179.35 1bx3 h THR 585 N 0.38 1.12 -0.66 -0.27 2.02 0.19 0.45 112.91 116.14 1bx3 h THR 585 Ca 0.06 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 1bx3 h THR 585 Cb 0.65 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1bx3 h THR 585 CO 0.05 0.12 0.39 -0.07 0.37 0.00 0.00 175.52 176.37 1bx3 h LEU 586 N 0.43 0.78 -0.24 2.58 3.38 -0.68 0.11 115.31 121.68 1bx3 h LEU 586 Ca 0.12 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1bx3 h LEU 586 Cb 0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1bx3 h LEU 586 CO -0.02 0.61 -0.15 0.22 0.09 0.00 0.00 178.44 179.18 1bx3 h TYR 587 N 0.90 0.61 -0.15 1.13 3.20 -0.62 -2.43 116.97 119.62 1bx3 h TYR 587 Ca 0.24 -0.16 -0.11 0.00 3.14 0.00 0.00 58.73 61.83 1bx3 h TYR 587 Cb -0.03 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 1bx3 h TYR 587 CO 0.00 0.81 -0.40 -0.91 -1.64 0.00 0.00 178.16 176.03 1bx3 h ASN 588 N 0.23 0.35 0.40 -2.11 2.35 -0.54 -2.30 115.58 113.95 1bx3 h ASN 588 Ca 0.05 -0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 55.54 1bx3 h ASN 588 Cb 0.68 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 1bx3 h ASN 588 CO 0.04 0.71 -0.49 0.03 -1.65 0.00 0.00 177.43 176.08 1bx3 h ARG 589 N 0.28 0.10 -0.17 0.81 3.08 -0.96 -1.59 114.38 115.93 1bx3 h ARG 589 Ca 0.03 -0.05 -0.21 0.00 0.07 0.00 0.00 59.98 59.82 1bx3 h ARG 589 Cb 0.83 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.89 1bx3 h ARG 589 CO 0.07 0.57 -0.69 0.82 -1.07 0.00 0.00 179.97 179.66 1bx3 h ILE 590 N 0.08 1.29 -0.22 2.04 2.04 -1.18 -2.45 117.51 119.10 1bx3 h ILE 590 Ca 0.00 -1.90 -0.09 0.00 1.00 0.00 0.00 64.86 63.88 1bx3 h ILE 590 Cb 0.89 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 1bx3 h ILE 590 CO 0.07 0.60 -0.24 0.11 0.00 0.00 0.00 178.15 178.69 1bx3 h LYS 591 N 0.51 0.41 -0.06 2.37 1.79 -1.25 -0.49 116.57 119.85 1bx3 h LYS 591 Ca -0.04 -0.15 -0.19 0.00 -2.18 0.00 0.00 60.65 58.09 1bx3 h LYS 591 Cb 1.32 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1bx3 h LYS 591 CO 0.15 0.63 -0.77 0.87 -1.08 0.00 0.00 179.45 179.25 1bx3 h LYS 592 N 0.37 0.38 -2.04 3.15 1.57 -1.26 -3.37 116.57 115.37 1bx3 h LYS 592 Ca 0.06 -0.33 -0.57 0.00 -1.87 0.00 0.00 60.65 57.94 1bx3 h LYS 592 Cb 0.63 0.07 -0.40 0.00 0.08 0.00 0.00 32.23 32.62 1bx3 h LYS 592 CO 0.05 0.98 -1.01 0.39 -0.57 0.00 0.00 179.45 179.28 1bx3 n GLU 593 N -3.81 1.08 -0.23 3.15 1.02 -0.93 -5.00 120.64 115.93 1bx3 n GLU 593 Ca -0.04 -3.51 0.03 0.00 -0.02 0.00 0.00 57.16 53.62 1bx3 n GLU 593 Cb 0.73 -1.43 0.15 0.00 -0.02 0.00 0.00 31.44 30.87 1bx3 n GLU 593 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1bx3 h PRO 594 N 4.01 0.26 0.00 3.49 0.11 -1.26 -1.78 132.00 136.81 1bx3 h PRO 594 Ca 0.10 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1bx3 h PRO 594 Cb 0.84 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1bx3 h PRO 594 CO 0.54 0.17 0.00 0.09 -0.21 0.00 0.00 178.00 178.59 1bx3 n ASN 595 N -5.15 0.51 -4.63 -2.05 3.02 -1.26 -4.71 115.26 100.99 1bx3 n ASN 595 Ca 0.12 0.66 -0.43 0.00 -0.03 0.00 0.00 54.58 54.90 1bx3 n ASN 595 Cb 0.40 -0.76 -0.02 0.00 -0.61 0.00 0.00 39.78 38.79 1bx3 n ASN 595 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1bx3 s LYS 596 N -3.32 4.01 0.38 3.52 2.20 -0.67 -5.00 119.74 120.86 1bx3 s LYS 596 Ca 0.03 1.07 -0.27 0.00 -0.36 0.00 0.00 55.97 56.43 1bx3 s LYS 596 Cb 0.08 -3.78 -0.11 0.00 -1.51 0.00 0.00 37.83 32.51 1bx3 s LYS 596 CO 0.30 -0.98 1.35 0.34 -0.36 0.00 0.00 175.35 176.00 1bx3 n PHE 597 N 7.08 2.48 -3.83 4.03 7.35 -1.26 -5.02 117.46 128.29 1bx3 n PHE 597 Ca 0.12 0.50 -0.12 0.00 -0.76 0.00 0.00 57.45 57.19 1bx3 n PHE 597 Cb 0.47 -2.44 -0.12 0.00 0.35 0.00 0.00 39.48 37.74 1bx3 n PHE 597 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1bx3 s VAL 598 N -1.14 0.01 0.06 -2.13 -7.23 -1.26 -5.11 120.40 103.60 1bx3 s VAL 598 Ca 0.57 -0.09 -0.30 0.00 -1.81 0.00 0.00 61.98 60.35 1bx3 s VAL 598 Cb -0.51 -0.24 -0.09 0.00 0.56 0.00 0.00 36.38 36.09 1bx3 s VAL 598 CO 0.61 -0.05 1.93 -0.69 -0.31 0.00 0.00 175.10 176.60 1bx3 s VAL 599 N -0.10 2.87 0.31 1.32 1.01 -1.26 -4.90 120.40 119.64 1bx3 s VAL 599 Ca -0.02 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 1bx3 s VAL 599 Cb -0.02 -3.01 -0.12 0.00 0.00 0.00 0.00 36.38 33.23 1bx3 s VAL 599 CO 0.00 -0.00 1.51 -2.65 0.00 0.00 0.00 175.10 173.96 1bx3 n PRO 600 N 7.03 2.52 -4.34 2.72 -0.02 -1.26 -4.87 135.00 136.77 1bx3 n PRO 600 Ca 0.19 0.89 -0.19 0.00 -2.02 0.00 0.00 63.50 62.38 1bx3 n PRO 600 Cb 0.40 -2.62 -0.14 0.00 -0.02 0.00 0.00 33.50 31.13 1bx3 n PRO 600 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1bx3 s ARG 601 N -0.98 0.80 -0.39 -0.52 0.52 -0.79 0.01 118.95 117.59 1bx3 s ARG 601 Ca 0.61 -0.52 0.03 0.00 -0.52 0.00 0.00 55.73 55.33 1bx3 s ARG 601 Cb -0.53 -0.76 0.11 0.00 0.52 0.00 0.00 34.95 34.29 1bx3 s ARG 601 CO 0.53 0.20 0.13 0.99 0.02 0.00 0.00 175.30 177.17 1bx3 s THR 602 N -0.56 2.56 -0.29 0.02 2.01 -0.29 -0.73 115.64 118.36 1bx3 s THR 602 Ca 0.01 -2.48 -0.24 0.00 0.31 0.00 0.00 61.69 59.30 1bx3 s THR 602 Cb -0.06 -2.83 -0.00 0.00 0.01 0.00 0.00 72.50 69.62 1bx3 s THR 602 CO 0.00 -0.66 0.79 -0.69 -0.69 0.00 0.00 174.62 173.37 1bx3 s VAL 603 N 0.71 4.81 -0.21 3.82 1.01 0.34 -2.25 120.40 128.63 1bx3 s VAL 603 Ca 0.12 1.27 -0.03 0.00 0.00 0.00 0.00 61.98 63.34 1bx3 s VAL 603 Cb -0.21 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 1bx3 s VAL 603 CO -0.06 -0.20 -0.07 -0.04 0.00 0.00 0.00 175.10 174.74 1bx3 s MET 604 N 2.91 3.33 -0.06 2.72 -1.94 0.50 -0.93 119.30 125.83 1bx3 s MET 604 Ca 0.33 -0.65 0.05 0.00 -1.71 0.00 0.00 55.69 53.71 1bx3 s MET 604 Cb -0.14 -2.94 -0.01 0.00 2.01 0.00 0.00 34.83 33.75 1bx3 s MET 604 CO 0.11 -0.17 -0.23 0.42 -0.01 0.00 0.00 175.02 175.13 1bx3 s ILE 605 N 1.39 1.93 0.10 2.53 1.01 -0.71 -0.84 121.20 126.61 1bx3 s ILE 605 Ca 0.05 -0.99 -0.08 0.00 0.00 0.00 0.00 60.65 59.63 1bx3 s ILE 605 Cb -0.14 -1.64 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 1bx3 s ILE 605 CO -0.04 0.54 0.19 -0.83 0.00 0.00 0.00 174.94 174.80 1bx3 s GLY 606 N -0.06 0.24 0.00 6.18 0.00 -0.41 -0.65 107.32 112.63 1bx3 s GLY 606 Ca -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.91 1bx3 s GLY 606 CO 0.04 -0.87 0.00 0.61 0.00 0.00 0.00 173.10 172.88 1bx3 n GLY 607 N -0.09 4.24 3.87 0.20 0.00 -1.25 -1.98 105.19 110.18 1bx3 n GLY 607 Ca -0.13 -1.38 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 1bx3 n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bx3 s LYS 608 N -2.90 3.36 -0.11 1.61 1.02 -1.26 -4.66 119.74 116.80 1bx3 s LYS 608 Ca 0.00 -0.32 -0.05 0.00 0.02 0.00 0.00 55.97 55.63 1bx3 s LYS 608 Cb 0.00 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.21 1bx3 s LYS 608 CO 0.00 0.69 0.07 0.00 -0.92 0.00 0.00 175.35 175.20 1bx3 s ALA 609 N -1.23 3.58 0.19 5.17 0.00 -1.26 -1.38 121.76 126.83 1bx3 s ALA 609 Ca 0.24 -0.72 -0.31 0.00 0.00 0.00 0.00 51.96 51.17 1bx3 s ALA 609 Cb -0.12 -1.76 -0.10 0.00 0.00 0.00 0.00 23.12 21.14 1bx3 s ALA 609 CO 0.14 0.57 1.54 0.00 0.00 0.00 0.00 175.76 178.02 1bx3 s ALA 610 N -0.85 3.74 0.06 0.00 0.00 -1.26 -4.90 121.76 118.56 1bx3 s ALA 610 Ca 0.13 1.38 -0.32 0.00 0.00 0.00 0.00 51.96 53.15 1bx3 s ALA 610 Cb -0.12 -3.61 -0.11 0.00 0.00 0.00 0.00 23.12 19.28 1bx3 s ALA 610 CO 0.03 -0.78 1.83 -2.30 0.00 0.00 0.00 175.76 174.54 1bx3 n PRO 611 N 3.50 2.55 0.00 0.00 -0.02 -1.26 -1.43 135.00 138.34 1bx3 n PRO 611 Ca 0.12 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1bx3 n PRO 611 Cb 0.39 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 1bx3 n PRO 611 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bx3 n GLY 612 N 4.20 3.08 3.54 -1.23 0.00 -1.26 -5.01 105.19 108.50 1bx3 n GLY 612 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1bx3 n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1bx3 s TYR 613 N -2.70 2.63 0.19 1.61 6.14 -0.51 -4.88 117.35 119.82 1bx3 s TYR 613 Ca 0.00 -0.89 -0.13 0.00 0.64 0.00 0.00 57.07 56.69 1bx3 s TYR 613 Cb 0.00 -4.61 0.22 0.00 0.42 0.00 0.00 41.96 37.99 1bx3 s TYR 613 CO 0.00 -1.86 1.68 1.25 0.64 0.00 0.00 175.55 177.26 1bx3 h HIS 614 N 9.63 -0.01 -0.24 4.97 -0.00 -1.95 -2.78 115.15 124.78 1bx3 h HIS 614 Ca 0.16 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.56 1bx3 h HIS 614 Cb 1.02 0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 28.50 1bx3 h HIS 614 CO 1.25 -0.11 0.13 1.98 -0.00 0.00 0.00 177.93 181.17 1bx3 h MET 615 N 0.13 0.34 -0.17 5.26 1.85 -1.98 -1.22 114.93 119.14 1bx3 h MET 615 Ca 0.27 -0.04 0.03 0.00 -0.61 0.00 0.00 59.70 59.35 1bx3 h MET 615 Cb 0.41 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.37 1bx3 h MET 615 CO -0.43 0.32 0.12 0.00 -0.40 0.00 0.00 176.91 176.52 1bx3 h ALA 616 N 1.00 2.06 0.01 0.39 0.00 -1.83 0.33 119.26 121.22 1bx3 h ALA 616 Ca 0.08 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 1bx3 h ALA 616 Cb 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1bx3 h ALA 616 CO -0.01 -0.10 -1.24 0.87 0.00 0.00 0.00 179.25 178.77 1bx3 h LYS 617 N 0.08 0.02 -0.29 0.00 1.57 -1.21 -2.85 116.57 113.88 1bx3 h LYS 617 Ca 0.08 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 1bx3 h LYS 617 Cb 0.21 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1bx3 h LYS 617 CO -0.01 0.86 -0.26 0.52 -0.57 0.00 0.00 179.45 179.98 1bx3 h MET 618 N 0.00 0.57 -0.60 3.15 2.86 -0.01 -2.40 114.93 118.51 1bx3 h MET 618 Ca -0.10 -0.23 -0.08 0.00 -2.06 0.00 0.00 59.70 57.23 1bx3 h MET 618 Cb 1.86 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 33.47 1bx3 h MET 618 CO 0.12 0.78 0.07 0.82 1.06 0.00 0.00 176.91 179.76 1bx3 h ILE 619 N 0.49 1.26 -0.70 -1.22 2.04 -0.97 -0.44 117.51 117.98 1bx3 h ILE 619 Ca 0.07 -1.04 -0.04 0.00 1.00 0.00 0.00 64.86 64.85 1bx3 h ILE 619 Cb 0.72 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1bx3 h ILE 619 CO 0.06 0.38 0.29 0.40 0.00 0.00 0.00 178.15 179.27 1bx3 h ILE 620 N 0.91 1.24 -0.13 -0.67 2.04 -1.31 -1.63 117.51 117.96 1bx3 h ILE 620 Ca 0.18 -0.72 -0.09 0.00 1.00 0.00 0.00 64.86 65.22 1bx3 h ILE 620 Cb 0.46 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1bx3 h ILE 620 CO 0.02 0.29 -0.33 0.50 0.00 0.00 0.00 178.15 178.63 1bx3 h LYS 621 N 1.00 0.25 -0.32 2.37 1.63 -0.97 -2.40 116.57 118.14 1bx3 h LYS 621 Ca 0.24 -0.10 -0.16 0.00 -0.85 0.00 0.00 60.65 59.78 1bx3 h LYS 621 Cb 0.17 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1bx3 h LYS 621 CO -0.02 0.56 -0.42 1.25 -3.45 0.00 0.00 179.45 177.37 1bx3 h LEU 622 N 0.22 0.88 -0.24 5.20 5.85 -0.40 0.65 115.31 127.47 1bx3 h LEU 622 Ca 0.03 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 1bx3 h LEU 622 Cb 0.70 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1bx3 h LEU 622 CO 0.05 1.18 0.15 0.40 -0.34 0.00 0.00 178.44 179.88 1bx3 h ILE 623 N 0.66 1.09 -0.11 4.05 2.04 -1.01 0.29 117.51 124.51 1bx3 h ILE 623 Ca 0.05 -0.20 -0.14 0.00 1.00 0.00 0.00 64.86 65.57 1bx3 h ILE 623 Cb 1.00 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1bx3 h ILE 623 CO 0.10 0.08 -0.55 0.71 0.00 0.00 0.00 178.15 178.49 1bx3 h THR 624 N 0.30 1.35 -0.40 -0.27 1.35 -1.38 -2.40 112.91 111.46 1bx3 h THR 624 Ca 0.09 -1.84 -0.07 0.00 -0.55 0.00 0.00 66.41 64.03 1bx3 h THR 624 Cb 0.01 1.88 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 1bx3 h THR 624 CO -0.02 0.55 -0.06 0.00 -0.25 0.00 0.00 175.52 175.75 1bx3 h ALA 625 N 1.17 1.15 -0.21 6.62 0.00 -0.37 -0.84 119.26 126.78 1bx3 h ALA 625 Ca 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1bx3 h ALA 625 Cb 1.04 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1bx3 h ALA 625 CO 0.09 0.54 -0.16 0.82 0.00 0.00 0.00 179.25 180.54 1bx3 h ILE 626 N 0.62 1.32 -0.11 0.00 2.04 -0.27 -2.95 117.51 118.17 1bx3 h ILE 626 Ca 0.12 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.69 1bx3 h ILE 626 Cb 0.48 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1bx3 h ILE 626 CO 0.02 0.39 0.07 1.23 0.00 0.00 0.00 178.15 179.87 1bx3 h GLY 627 N 0.16 0.14 1.97 5.37 0.00 -1.15 -0.50 103.07 109.06 1bx3 h GLY 627 Ca 0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1bx3 h GLY 627 CO 0.04 0.05 -0.17 -0.55 0.00 0.00 0.00 176.54 175.91 1bx3 h ASP 628 N 0.13 0.03 0.00 0.19 3.32 -0.98 0.12 116.42 119.24 1bx3 h ASP 628 Ca 0.04 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1bx3 h ASP 628 Cb 0.00 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1bx3 h ASP 628 CO -0.01 0.21 -0.53 0.58 -1.72 0.00 0.00 179.24 177.77 1bx3 h VAL 629 N 0.03 0.09 0.02 -1.35 2.07 -1.38 -3.37 116.25 112.37 1bx3 h VAL 629 Ca 0.01 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.44 1bx3 h VAL 629 Cb 0.33 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 1bx3 h VAL 629 CO 0.02 0.03 -0.37 0.58 0.02 0.00 0.00 177.57 177.86 1bx3 h VAL 630 N -1.00 0.23 0.00 2.57 2.07 -1.15 -2.06 116.25 116.91 1bx3 h VAL 630 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1bx3 h VAL 630 Cb 0.54 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1bx3 h VAL 630 CO -0.02 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.16 1bx3 n ASN 631 N -5.43 0.03 0.00 0.57 3.02 0.42 -2.29 115.26 111.58 1bx3 n ASN 631 Ca -0.05 0.51 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 1bx3 n ASN 631 Cb 0.35 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 1bx3 n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1bx3 n HIS 632 N -1.54 0.00 -2.75 3.10 8.25 -0.82 -4.96 115.22 116.49 1bx3 n HIS 632 Ca 0.01 -0.37 -0.43 0.00 -0.26 0.00 0.00 57.72 56.67 1bx3 n HIS 632 Cb 0.03 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1bx3 n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1bx3 s ASP 633 N -0.74 6.95 0.49 0.41 -1.08 -0.93 -4.92 116.67 116.86 1bx3 s ASP 633 Ca 0.00 1.16 0.20 0.00 -0.52 0.00 0.00 52.55 53.39 1bx3 s ASP 633 Cb 0.00 -2.50 1.27 0.00 -1.46 0.00 0.00 42.92 40.23 1bx3 s ASP 633 CO 0.00 -0.65 2.06 1.55 0.52 0.00 0.00 175.17 178.65 1bx3 h PRO 634 N 7.68 0.00 -0.56 4.34 0.13 -1.92 -1.56 132.00 140.11 1bx3 h PRO 634 Ca -0.21 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.86 1bx3 h PRO 634 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1bx3 h PRO 634 CO 0.95 0.13 0.10 0.28 -0.23 0.00 0.00 178.00 179.23 1bx3 h VAL 635 N 0.00 1.25 -0.06 1.56 2.07 -1.97 -3.16 116.25 115.94 1bx3 h VAL 635 Ca -0.00 -0.95 -0.21 0.00 0.82 0.00 0.00 66.70 66.36 1bx3 h VAL 635 Cb 0.26 0.79 0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1bx3 h VAL 635 CO 0.02 0.35 -0.78 0.58 0.02 0.00 0.00 177.57 177.75 1bx3 h VAL 636 N 0.81 1.32 0.00 2.57 2.07 -1.77 -3.49 116.25 117.77 1bx3 h VAL 636 Ca 0.17 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.64 1bx3 h VAL 636 Cb 0.40 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1bx3 h VAL 636 CO 0.01 0.63 0.00 0.61 0.02 0.00 0.00 177.57 178.84 1bx3 n GLY 637 N 0.90 2.12 0.87 2.17 0.00 -0.64 -1.33 105.19 109.29 1bx3 n GLY 637 Ca -0.09 -0.38 0.01 0.00 0.00 0.00 0.00 46.02 45.55 1bx3 n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bx3 n ASP 638 N -0.66 2.20 0.17 1.61 5.75 -1.26 -3.89 116.55 120.46 1bx3 n ASP 638 Ca 0.00 -2.23 0.08 0.00 -0.01 0.00 0.00 54.79 52.63 1bx3 n ASP 638 Cb 0.00 -0.55 0.09 0.00 -1.03 0.00 0.00 41.12 39.64 1bx3 n ASP 638 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1bx3 h ARG 639 N 0.86 0.00 -2.38 0.11 3.08 -1.55 -3.43 114.38 111.07 1bx3 h ARG 639 Ca 0.01 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1bx3 h ARG 639 Cb 0.90 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.70 1bx3 h ARG 639 CO 0.13 0.21 -0.24 -1.17 -1.07 0.00 0.00 179.97 177.82 1bx3 s LEU 640 N -6.24 -0.62 -0.04 3.04 2.96 -1.25 -1.89 118.68 114.65 1bx3 s LEU 640 Ca 0.05 1.15 0.01 0.00 -0.22 0.00 0.00 54.13 55.12 1bx3 s LEU 640 Cb 0.06 1.68 0.01 0.00 0.50 0.00 0.00 46.19 48.45 1bx3 s LEU 640 CO 0.71 -0.22 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.87 1bx3 s ARG 641 N 2.14 0.82 -0.24 1.98 6.06 0.09 -4.60 118.95 125.21 1bx3 s ARG 641 Ca -0.06 -0.16 -0.01 0.00 -2.50 0.00 0.00 55.73 53.00 1bx3 s ARG 641 Cb -0.10 -0.80 0.03 0.00 0.06 0.00 0.00 34.95 34.14 1bx3 s ARG 641 CO -0.15 -0.01 -0.08 0.08 -2.50 0.00 0.00 175.30 172.64 1bx3 s VAL 642 N 0.62 2.75 0.06 7.11 1.01 -1.26 0.13 120.40 130.81 1bx3 s VAL 642 Ca -0.09 -1.05 0.06 0.00 0.00 0.00 0.00 61.98 60.91 1bx3 s VAL 642 Cb -0.12 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1bx3 s VAL 642 CO 0.00 0.23 -0.16 0.27 0.00 0.00 0.00 175.10 175.44 1bx3 s ILE 643 N 1.31 1.30 -0.30 2.22 -4.36 -0.11 -4.47 121.20 116.80 1bx3 s ILE 643 Ca 0.00 -1.23 -0.09 0.00 -0.26 0.00 0.00 60.65 59.07 1bx3 s ILE 643 Cb -0.16 -1.19 -0.01 0.00 1.25 0.00 0.00 42.46 42.34 1bx3 s ILE 643 CO -0.05 -0.06 0.13 0.12 0.24 0.00 0.00 174.94 175.32 1bx3 s PHE 644 N -1.04 3.16 -0.38 1.37 5.36 -1.26 -1.74 117.98 123.45 1bx3 s PHE 644 Ca 0.02 -0.53 -0.29 0.00 -0.96 0.00 0.00 56.93 55.18 1bx3 s PHE 644 Cb -0.09 -2.33 0.01 0.00 -0.34 0.00 0.00 43.02 40.27 1bx3 s PHE 644 CO 0.02 -0.43 1.40 -0.51 -1.46 0.00 0.00 175.22 174.24 1bx3 s LEU 645 N 1.61 3.65 0.39 6.12 1.43 0.18 -4.96 118.68 127.11 1bx3 s LEU 645 Ca 0.05 0.93 -0.26 0.00 -1.03 0.00 0.00 54.13 53.81 1bx3 s LEU 645 Cb -0.17 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.43 1bx3 s LEU 645 CO 0.06 -1.36 1.27 -0.70 0.23 0.00 0.00 176.35 175.85 1bx3 s GLU 646 N 4.78 4.06 -1.21 1.70 2.12 -1.26 -4.04 118.70 124.86 1bx3 s GLU 646 Ca 0.61 2.10 -0.15 0.00 0.36 0.00 0.00 54.97 57.88 1bx3 s GLU 646 Cb -0.15 -2.80 -0.01 0.00 0.26 0.00 0.00 34.13 31.44 1bx3 s GLU 646 CO 0.31 -0.39 0.70 -1.71 -0.54 0.00 0.00 175.26 173.63 1bx3 n ASN 647 N 0.25 -3.92 -4.69 -1.70 5.15 -1.24 -4.89 115.26 104.22 1bx3 n ASN 647 Ca 0.03 -1.01 -0.42 0.00 -0.60 0.00 0.00 54.58 52.58 1bx3 n ASN 647 Cb 0.44 -3.32 -0.03 0.00 -0.53 0.00 0.00 39.78 36.34 1bx3 n ASN 647 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1bx3 s TYR 648 N -3.59 2.46 0.29 1.20 5.04 -1.26 -4.86 117.35 116.64 1bx3 s TYR 648 Ca 0.34 0.34 -0.12 0.00 -2.44 0.00 0.00 57.07 55.19 1bx3 s TYR 648 Cb -0.12 -3.96 0.01 0.00 0.35 0.00 0.00 41.96 38.24 1bx3 s TYR 648 CO 0.87 -3.83 0.55 -0.98 -1.34 0.00 0.00 175.55 170.82 1bx3 s ARG 649 N 2.56 1.75 0.22 4.97 1.70 -1.26 -4.74 118.95 124.14 1bx3 s ARG 649 Ca 0.74 -1.35 -0.15 0.00 -0.47 0.00 0.00 55.73 54.50 1bx3 s ARG 649 Cb -0.40 0.50 0.25 0.00 -0.57 0.00 0.00 34.95 34.73 1bx3 s ARG 649 CO 0.32 -0.75 1.60 0.28 -1.08 0.00 0.00 175.30 175.67 1bx3 h VAL 650 N 2.16 0.21 -0.06 4.99 2.07 -1.97 0.23 116.25 123.88 1bx3 h VAL 650 Ca -0.26 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1bx3 h VAL 650 Cb 1.25 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1bx3 h VAL 650 CO 0.35 0.00 -0.15 0.77 0.02 0.00 0.00 177.57 178.56 1bx3 h SER 651 N -0.05 0.09 0.04 0.57 4.64 -1.97 -1.87 113.55 115.00 1bx3 h SER 651 Ca 0.32 -0.02 -0.23 0.00 -0.47 0.00 0.00 61.79 61.40 1bx3 h SER 651 Cb 0.55 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1bx3 h SER 651 CO -0.75 0.25 -0.86 0.25 -0.87 0.00 0.00 176.83 174.85 1bx3 h LEU 652 N 0.09 0.79 -1.51 5.97 5.85 -1.03 -3.05 115.31 122.42 1bx3 h LEU 652 Ca 0.02 -0.56 0.07 0.00 0.84 0.00 0.00 57.88 58.25 1bx3 h LEU 652 Cb 0.33 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1bx3 h LEU 652 CO 0.02 1.35 0.42 0.00 -0.34 0.00 0.00 178.44 179.89 1bx3 h ALA 653 N 0.62 1.82 0.00 1.25 0.00 0.00 0.88 119.26 123.84 1bx3 h ALA 653 Ca -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1bx3 h ALA 653 Cb 1.49 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1bx3 h ALA 653 CO 0.17 0.07 0.00 0.93 0.00 0.00 0.00 179.25 180.41 1bx3 h GLU 654 N 0.59 0.00 0.03 0.00 5.08 -1.27 -2.24 114.58 116.77 1bx3 h GLU 654 Ca 0.27 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.28 1bx3 h GLU 654 Cb 0.32 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 1bx3 h GLU 654 CO -0.08 0.00 -1.99 1.63 -1.00 0.00 0.00 179.01 177.57 1bx3 n LYS 655 N -2.83 0.63 0.14 2.33 5.02 0.16 -4.50 118.16 119.10 1bx3 n LYS 655 Ca 0.02 0.35 -0.25 0.00 -2.02 0.00 0.00 58.31 56.41 1bx3 n LYS 655 Cb 0.32 -1.63 -0.16 0.00 -0.02 0.00 0.00 35.03 33.54 1bx3 n LYS 655 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1bx3 h VAL 656 N -0.61 1.26 -0.36 -0.18 3.04 -1.21 -3.35 116.25 114.84 1bx3 h VAL 656 Ca -0.51 -2.69 0.03 0.00 -1.01 0.00 0.00 66.70 62.52 1bx3 h VAL 656 Cb 1.65 3.02 -0.03 0.00 -2.01 0.00 0.00 31.29 33.92 1bx3 h VAL 656 CO -0.19 0.82 0.18 0.40 -1.01 0.00 0.00 177.57 177.76 1bx3 h ILE 657 N 0.14 0.98 0.00 3.17 2.04 -1.63 -1.08 117.51 121.13 1bx3 h ILE 657 Ca -0.26 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1bx3 h ILE 657 Cb 2.17 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 1bx3 h ILE 657 CO 0.27 0.07 0.00 -2.65 0.00 0.00 0.00 178.15 175.84 1bx3 n PRO 658 N -4.94 0.10 -0.22 2.37 -0.02 -1.26 -1.86 135.00 129.16 1bx3 n PRO 658 Ca 0.01 0.48 0.09 0.00 -2.02 0.00 0.00 63.50 62.06 1bx3 n PRO 658 Cb 0.09 -1.75 0.21 0.00 -0.02 0.00 0.00 33.50 32.03 1bx3 n PRO 658 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bx3 n ALA 659 N -1.66 2.34 -2.31 3.55 0.00 -0.44 -4.72 120.51 117.27 1bx3 n ALA 659 Ca 0.01 -1.10 -0.38 0.00 0.00 0.00 0.00 53.44 51.97 1bx3 n ALA 659 Cb 0.10 -0.71 -0.06 0.00 0.00 0.00 0.00 19.45 18.78 1bx3 n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bx3 s ALA 660 N -1.14 3.60 -0.24 0.00 0.00 -0.78 -4.61 121.76 118.59 1bx3 s ALA 660 Ca 0.35 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.18 1bx3 s ALA 660 Cb 0.19 -2.60 -0.17 0.00 0.00 0.00 0.00 23.12 20.55 1bx3 s ALA 660 CO 0.26 0.42 -0.09 -0.25 0.00 0.00 0.00 175.76 176.09 1bx3 n ASP 661 N 1.58 1.96 -4.24 0.00 8.00 -0.48 -4.03 116.55 119.35 1bx3 n ASP 661 Ca -0.10 0.24 -0.33 0.00 0.71 0.00 0.00 54.79 55.31 1bx3 n ASP 661 Cb 0.51 -0.77 -0.16 0.00 -0.02 0.00 0.00 41.12 40.68 1bx3 n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1bx3 s LEU 662 N -7.32 2.33 -0.36 0.64 2.96 -0.75 -0.07 118.68 116.10 1bx3 s LEU 662 Ca -0.33 -0.51 -0.13 0.00 -0.22 0.00 0.00 54.13 52.93 1bx3 s LEU 662 Cb 0.10 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.28 1bx3 s LEU 662 CO 0.58 0.11 0.26 -0.55 -1.32 0.00 0.00 176.35 175.42 1bx3 s SER 663 N 0.68 6.07 -0.38 3.68 0.15 0.85 -1.36 113.70 123.39 1bx3 s SER 663 Ca -0.09 -0.58 -0.24 0.00 0.70 0.00 0.00 55.95 55.75 1bx3 s SER 663 Cb -0.16 -2.14 0.01 0.00 -1.71 0.00 0.00 66.02 62.02 1bx3 s SER 663 CO 0.02 -0.30 0.81 -1.61 1.20 0.00 0.00 173.24 173.36 1bx3 s GLU 664 N 1.71 3.71 -0.46 5.44 0.41 -0.73 -1.62 118.70 127.16 1bx3 s GLU 664 Ca 0.06 0.29 0.09 0.00 -0.41 0.00 0.00 54.97 54.99 1bx3 s GLU 664 Cb -0.18 -3.83 0.31 0.00 -1.78 0.00 0.00 34.13 28.65 1bx3 s GLU 664 CO 0.10 -0.92 0.73 1.04 -0.49 0.00 0.00 175.26 175.72 1bx3 n GLN 665 N 6.56 1.63 -1.29 1.61 1.13 -0.82 -4.75 117.38 121.46 1bx3 n GLN 665 Ca 0.04 -3.85 -0.33 0.00 -1.94 0.00 0.00 57.00 50.92 1bx3 n GLN 665 Cb 0.48 -1.78 0.08 0.00 0.11 0.00 0.00 30.24 29.13 1bx3 n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1bx3 n ILE 666 N 0.50 3.55 -2.27 5.09 -5.35 -1.26 -2.77 119.36 116.85 1bx3 n ILE 666 Ca 0.26 -2.79 -0.35 0.00 -0.27 0.00 0.00 62.75 59.60 1bx3 n ILE 666 Cb 0.54 -1.17 -0.00 0.00 -1.74 0.00 0.00 39.64 37.27 1bx3 n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1bx3 s SER 667 N -1.64 5.79 0.23 7.28 1.04 -1.26 -4.57 113.70 120.58 1bx3 s SER 667 Ca 0.62 2.11 -0.31 0.00 0.48 0.00 0.00 55.95 58.85 1bx3 s SER 667 Cb 0.48 -2.57 -0.12 0.00 0.10 0.00 0.00 66.02 63.91 1bx3 s SER 667 CO -0.01 -1.17 1.68 -0.89 0.98 0.00 0.00 173.24 173.83 1bx3 s THR 668 N -1.86 2.05 0.04 2.02 2.01 -1.11 -4.63 115.64 114.16 1bx3 s THR 668 Ca 0.71 0.04 -0.37 0.00 0.31 0.00 0.00 61.69 62.38 1bx3 s THR 668 Cb -0.22 -3.03 -0.16 0.00 0.01 0.00 0.00 72.50 69.10 1bx3 s THR 668 CO 0.27 0.00 1.44 0.00 -0.69 0.00 0.00 174.62 175.64 1bx3 n ALA 669 N 3.44 -0.57 -0.29 7.40 0.00 -1.26 -1.35 120.51 127.87 1bx3 n ALA 669 Ca 0.14 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1bx3 n ALA 669 Cb 0.36 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1bx3 n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bx3 n GLY 670 N 2.90 0.66 0.09 0.00 0.00 -1.26 -4.64 105.19 102.94 1bx3 n GLY 670 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 1bx3 n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bx3 n THR 671 N -2.00 1.15 -3.06 2.61 -2.24 -0.46 -4.89 114.28 105.40 1bx3 n THR 671 Ca 0.00 -0.53 -0.43 0.00 -2.27 0.00 0.00 64.05 60.82 1bx3 n THR 671 Cb 0.00 -0.99 -0.06 0.00 -2.10 0.00 0.00 70.33 67.18 1bx3 n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1bx3 s GLU 672 N -2.40 3.24 0.24 -0.78 2.56 -1.26 -4.76 118.70 115.54 1bx3 s GLU 672 Ca -0.21 -0.53 -0.05 0.00 0.00 0.00 0.00 54.97 54.19 1bx3 s GLU 672 Cb 0.06 -4.03 0.45 0.00 2.00 0.00 0.00 34.13 32.62 1bx3 s GLU 672 CO 0.54 -1.21 1.71 0.00 -0.56 0.00 0.00 175.26 175.74 1bx3 h ALA 673 N 9.03 0.99 0.00 6.30 0.00 -1.90 -2.59 119.26 131.09 1bx3 h ALA 673 Ca -0.26 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1bx3 h ALA 673 Cb 1.09 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1bx3 h ALA 673 CO 0.97 -0.28 0.00 0.45 0.00 0.00 0.00 179.25 180.39 1bx3 n SER 674 N -5.08 -0.93 0.00 0.00 2.88 -1.26 -4.25 113.62 104.97 1bx3 n SER 674 Ca 0.14 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1bx3 n SER 674 Cb 0.43 1.04 0.00 0.00 -0.75 0.00 0.00 64.21 64.93 1bx3 n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bx3 n GLY 675 N 0.29 0.21 0.00 0.46 0.00 -1.26 -0.63 105.19 104.26 1bx3 n GLY 675 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1bx3 n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bx3 n THR 676 N 0.46 0.00 0.03 2.61 -2.24 -1.26 -4.78 114.28 109.10 1bx3 n THR 676 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 1bx3 n THR 676 Cb 0.00 0.00 0.32 0.00 -2.10 0.00 0.00 70.33 68.55 1bx3 n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1bx3 h GLY 677 N 0.00 0.49 1.00 3.38 0.00 -1.94 -1.80 103.07 104.20 1bx3 h GLY 677 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.05 1bx3 h GLY 677 CO 0.00 0.27 0.38 3.45 0.00 0.00 0.00 176.54 180.64 1bx3 h ASN 678 N 0.44 0.66 -0.91 0.19 7.08 -1.94 -2.23 115.58 118.87 1bx3 h ASN 678 Ca 0.10 -0.02 -0.01 0.00 -3.08 0.00 0.00 56.30 53.29 1bx3 h ASN 678 Cb 0.32 -0.16 -0.04 0.00 -2.08 0.00 0.00 38.32 36.35 1bx3 h ASN 678 CO 0.01 0.48 0.54 0.24 -2.08 0.00 0.00 177.43 176.62 1bx3 h MET 679 N 0.78 1.23 -0.58 4.14 2.86 -1.66 -2.08 114.93 119.62 1bx3 h MET 679 Ca 0.21 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 1bx3 h MET 679 Cb -0.09 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.29 1bx3 h MET 679 CO -0.05 0.87 0.26 0.87 1.06 0.00 0.00 176.91 179.92 1bx3 h LYS 680 N 1.25 0.84 -0.47 1.72 1.57 -0.94 -1.53 116.57 119.01 1bx3 h LYS 680 Ca 0.33 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1bx3 h LYS 680 Cb -0.05 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1bx3 h LYS 680 CO -0.06 0.70 0.05 0.74 -0.57 0.00 0.00 179.45 180.31 1bx3 h PHE 681 N 0.79 0.78 -0.30 -1.35 0.04 -1.08 -1.87 116.94 113.95 1bx3 h PHE 681 Ca 0.20 -0.09 -0.16 0.00 2.80 0.00 0.00 57.97 60.72 1bx3 h PHE 681 Cb 0.15 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 1bx3 h PHE 681 CO 0.00 0.70 -0.45 1.98 -0.60 0.00 0.00 178.31 179.95 1bx3 h MET 682 N 0.71 0.77 0.00 1.51 4.05 -1.08 -2.31 114.93 118.59 1bx3 h MET 682 Ca 0.15 -0.43 -0.05 0.00 -0.28 0.00 0.00 59.70 59.09 1bx3 h MET 682 Cb 0.37 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1bx3 h MET 682 CO 0.01 1.06 -0.23 1.25 0.23 0.00 0.00 176.91 179.23 1bx3 h LEU 683 N 0.62 0.00 -3.36 3.39 5.85 -1.04 -3.28 115.31 117.49 1bx3 h LEU 683 Ca 0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1bx3 h LEU 683 Cb 1.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1bx3 h LEU 683 CO 0.10 0.23 0.00 0.59 -0.34 0.00 0.00 178.44 179.02 1bx3 n ASN 684 N -3.48 5.07 0.00 1.25 3.02 -0.72 -4.92 115.26 115.48 1bx3 n ASN 684 Ca -0.00 -2.76 0.00 0.00 -0.03 0.00 0.00 54.58 51.79 1bx3 n ASN 684 Cb 0.40 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 1bx3 n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bx3 n GLY 685 N 0.62 0.72 3.58 7.41 0.00 -1.20 -4.77 105.19 111.56 1bx3 n GLY 685 Ca 0.26 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 1bx3 n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bx3 s ALA 686 N -2.00 2.98 -0.01 4.61 0.00 -0.89 -4.77 121.76 121.69 1bx3 s ALA 686 Ca 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 51.96 50.52 1bx3 s ALA 686 Cb 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1bx3 s ALA 686 CO 0.00 0.51 0.21 -0.51 0.00 0.00 0.00 175.76 175.98 1bx3 s LEU 687 N -2.69 4.37 -0.15 0.00 1.43 0.90 -4.50 118.68 118.04 1bx3 s LEU 687 Ca 0.24 0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 53.70 1bx3 s LEU 687 Cb -0.09 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 1bx3 s LEU 687 CO 0.15 0.26 0.11 -0.89 0.23 0.00 0.00 176.35 176.21 1bx3 s THR 688 N -1.31 5.23 -0.23 5.49 2.01 -1.26 -0.11 115.64 125.46 1bx3 s THR 688 Ca 0.27 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.38 1bx3 s THR 688 Cb -0.13 -3.31 0.03 0.00 0.01 0.00 0.00 72.50 69.10 1bx3 s THR 688 CO 0.17 0.55 -0.11 -0.51 -0.69 0.00 0.00 174.62 174.03 1bx3 s ILE 689 N -0.43 2.51 0.25 1.82 2.07 -0.64 -1.28 121.20 125.50 1bx3 s ILE 689 Ca 0.11 -1.11 -0.15 0.00 -1.41 0.00 0.00 60.65 58.10 1bx3 s ILE 689 Cb -0.12 -2.25 0.05 0.00 0.13 0.00 0.00 42.46 40.28 1bx3 s ILE 689 CO 0.02 0.26 0.74 0.61 -1.91 0.00 0.00 174.94 174.65 1bx3 n GLY 690 N 4.61 0.97 3.97 1.50 0.00 -0.72 -1.94 105.19 113.58 1bx3 n GLY 690 Ca -0.17 -1.17 -0.22 0.00 0.00 0.00 0.00 46.02 44.46 1bx3 n GLY 690 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bx3 s THR 691 N -2.21 2.97 -1.31 2.61 -4.23 -1.11 -1.60 115.64 110.75 1bx3 s THR 691 Ca 0.16 -0.59 -0.13 0.00 -1.18 0.00 0.00 61.69 59.94 1bx3 s THR 691 Cb -0.03 -3.12 0.12 0.00 1.34 0.00 0.00 72.50 70.81 1bx3 s THR 691 CO 0.07 -0.09 1.83 0.23 -0.54 0.00 0.00 174.62 176.13 1bx3 n MET 692 N -2.32 3.30 -4.12 3.99 2.81 -1.26 -4.67 117.12 114.85 1bx3 n MET 692 Ca 0.06 -3.33 -0.14 0.00 -1.81 0.00 0.00 57.70 52.48 1bx3 n MET 692 Cb 0.59 -3.15 -0.11 0.00 -0.71 0.00 0.00 33.22 29.84 1bx3 n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1bx3 s ASP 693 N 2.54 1.17 0.99 7.83 2.15 -1.26 -4.64 116.67 125.45 1bx3 s ASP 693 Ca 0.45 -0.65 0.00 0.00 0.43 0.00 0.00 52.55 52.78 1bx3 s ASP 693 Cb 0.07 0.02 0.00 0.00 -0.30 0.00 0.00 42.92 42.70 1bx3 s ASP 693 CO -0.00 -0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 1bx3 n GLY 694 N 1.15 3.02 0.01 2.66 0.00 -0.98 -1.29 105.19 109.76 1bx3 n GLY 694 Ca -0.20 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 45.88 1bx3 n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bx3 n ALA 695 N 9.36 2.48 -0.27 4.61 0.00 0.20 -3.47 120.51 133.41 1bx3 n ALA 695 Ca 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 53.44 53.36 1bx3 n ALA 695 Cb 0.00 -1.42 0.18 0.00 0.00 0.00 0.00 19.45 18.21 1bx3 n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1bx3 h ASN 696 N 0.00 0.44 -0.30 0.00 4.21 -1.39 -0.03 115.58 118.51 1bx3 h ASN 696 Ca 0.00 0.08 0.05 0.00 1.21 0.00 0.00 56.30 57.64 1bx3 h ASN 696 Cb 0.53 0.02 -0.05 0.00 -1.12 0.00 0.00 38.32 37.70 1bx3 h ASN 696 CO 0.00 0.21 0.01 0.58 -1.29 0.00 0.00 177.43 176.94 1bx3 h VAL 697 N 0.57 0.79 0.00 2.81 2.07 -1.60 -1.14 116.25 119.75 1bx3 h VAL 697 Ca 0.41 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.86 1bx3 h VAL 697 Cb 0.54 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1bx3 h VAL 697 CO -0.34 0.02 -0.14 -0.33 0.02 0.00 0.00 177.57 176.80 1bx3 h GLU 698 N 0.10 0.00 -0.01 1.57 5.08 -1.39 -2.13 114.58 117.80 1bx3 h GLU 698 Ca 0.14 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.25 1bx3 h GLU 698 Cb 0.19 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.46 1bx3 h GLU 698 CO -0.23 0.14 -0.97 0.52 -1.00 0.00 0.00 179.01 177.47 1bx3 h MET 699 N 0.00 0.68 -0.44 2.33 2.86 -0.41 -1.46 114.93 118.48 1bx3 h MET 699 Ca -0.00 -0.72 -0.08 0.00 -2.06 0.00 0.00 59.70 56.84 1bx3 h MET 699 Cb 0.71 0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.55 1bx3 h MET 699 CO 0.02 1.30 -0.03 0.00 1.06 0.00 0.00 176.91 179.26 1bx3 h ALA 700 N 0.40 0.60 -0.81 6.32 0.00 -1.13 -1.92 119.26 122.72 1bx3 h ALA 700 Ca -0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1bx3 h ALA 700 Cb 1.63 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 1bx3 h ALA 700 CO 0.19 0.42 0.46 1.49 0.00 0.00 0.00 179.25 181.81 1bx3 h GLU 701 N 0.64 1.12 -0.46 0.00 4.81 -1.38 1.18 114.58 120.49 1bx3 h GLU 701 Ca 0.12 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1bx3 h GLU 701 Cb 0.54 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1bx3 h GLU 701 CO 0.03 0.81 -0.05 0.93 -0.73 0.00 0.00 179.01 180.01 1bx3 h GLU 702 N 1.12 0.84 0.00 1.92 4.39 -1.04 -3.28 114.58 118.54 1bx3 h GLU 702 Ca 0.29 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1bx3 h GLU 702 Cb 0.00 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1bx3 h GLU 702 CO -0.05 0.92 -1.38 0.00 -1.16 0.00 0.00 179.01 177.34 1bx3 n ALA 703 N -2.45 2.77 0.00 3.43 0.00 -0.74 -4.88 120.51 118.64 1bx3 n ALA 703 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1bx3 n ALA 703 Cb 0.34 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.84 1bx3 n ALA 703 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bx3 n GLY 704 N 1.24 1.61 0.42 0.00 0.00 0.40 -4.63 105.19 104.24 1bx3 n GLY 704 Ca -0.01 -1.19 0.20 0.00 0.00 0.00 0.00 46.02 45.02 1bx3 n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bx3 h GLU 705 N 0.00 0.00 0.00 1.61 5.08 -1.81 0.50 114.58 119.97 1bx3 h GLU 705 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1bx3 h GLU 705 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1bx3 h GLU 705 CO 0.00 0.00 0.00 -0.85 -1.00 0.00 0.00 179.01 177.16 1bx3 n GLU 706 N -3.38 0.09 -0.24 2.33 0.00 -1.26 -2.43 120.64 115.75 1bx3 n GLU 706 Ca 0.10 0.21 0.09 0.00 0.00 0.00 0.00 57.16 57.57 1bx3 n GLU 706 Cb 0.86 -1.64 0.23 0.00 0.00 0.00 0.00 31.44 30.89 1bx3 n GLU 706 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1bx3 n ASN 707 N -1.80 3.39 -4.21 -1.84 3.02 0.18 -4.93 115.26 109.07 1bx3 n ASN 707 Ca 0.05 -1.96 -0.25 0.00 -0.03 0.00 0.00 54.58 52.39 1bx3 n ASN 707 Cb 0.28 -0.32 -0.15 0.00 -0.61 0.00 0.00 39.78 38.98 1bx3 n ASN 707 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1bx3 s PHE 708 N -1.11 1.67 -1.19 3.10 0.40 -1.02 -4.76 117.98 115.06 1bx3 s PHE 708 Ca 0.36 -0.34 -0.11 0.00 -0.60 0.00 0.00 56.93 56.24 1bx3 s PHE 708 Cb 0.20 -1.03 0.21 0.00 0.51 0.00 0.00 43.02 42.91 1bx3 s PHE 708 CO 0.26 0.03 1.46 1.19 0.70 0.00 0.00 175.22 178.86 1bx3 n PHE 709 N 2.20 4.37 -2.91 0.36 3.72 -0.40 -4.94 117.46 119.85 1bx3 n PHE 709 Ca -0.16 -3.30 -0.39 0.00 -0.05 0.00 0.00 57.45 53.55 1bx3 n PHE 709 Cb 0.54 -1.94 -0.06 0.00 -0.94 0.00 0.00 39.48 37.08 1bx3 n PHE 709 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1bx3 s ILE 710 N 0.22 4.30 0.33 4.37 -1.09 -1.26 -1.75 121.20 126.32 1bx3 s ILE 710 Ca 0.38 1.76 -0.08 0.00 -2.23 0.00 0.00 60.65 60.48 1bx3 s ILE 710 Cb -0.01 -4.13 0.01 0.00 -1.58 0.00 0.00 42.46 36.75 1bx3 s ILE 710 CO -0.01 0.43 0.56 0.72 -1.23 0.00 0.00 174.94 175.41 1bx3 s PHE 711 N -1.27 0.68 0.00 3.97 -0.71 -0.63 -4.95 117.98 115.07 1bx3 s PHE 711 Ca 0.40 -1.05 0.00 0.00 -1.04 0.00 0.00 56.93 55.24 1bx3 s PHE 711 Cb -0.22 0.21 0.00 0.00 -1.21 0.00 0.00 43.02 41.80 1bx3 s PHE 711 CO 0.27 -1.22 0.00 0.41 -1.34 0.00 0.00 175.22 173.34 1bx3 n GLY 712 N -0.52 -0.75 3.67 1.99 0.00 -1.26 -4.38 105.19 103.94 1bx3 n GLY 712 Ca -0.02 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.70 1bx3 n GLY 712 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1bx3 n MET 713 N -1.78 0.80 -3.95 1.61 2.81 -1.26 -4.90 117.12 110.45 1bx3 n MET 713 Ca 0.00 0.33 -0.22 0.00 -1.81 0.00 0.00 57.70 56.00 1bx3 n MET 713 Cb 0.00 -2.37 -0.05 0.00 -0.71 0.00 0.00 33.22 30.09 1bx3 n MET 713 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1bx3 s ARG 714 N -3.33 2.61 0.24 0.03 3.00 -1.26 -4.51 118.95 115.73 1bx3 s ARG 714 Ca 0.78 -1.36 -0.06 0.00 0.00 0.00 0.00 55.73 55.09 1bx3 s ARG 714 Cb -0.37 -2.37 0.44 0.00 0.00 0.00 0.00 34.95 32.65 1bx3 s ARG 714 CO 0.45 0.14 1.68 0.28 0.00 0.00 0.00 175.30 177.85 1bx3 h VAL 715 N 1.40 0.51 -0.88 3.52 2.07 -1.82 0.65 116.25 121.68 1bx3 h VAL 715 Ca -0.45 -0.08 0.11 0.00 0.82 0.00 0.00 66.70 67.10 1bx3 h VAL 715 Cb 1.25 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 1bx3 h VAL 715 CO 0.60 0.04 0.57 1.05 0.02 0.00 0.00 177.57 179.86 1bx3 h GLU 716 N 0.25 0.79 -0.10 1.57 4.11 -1.95 -0.84 114.58 118.41 1bx3 h GLU 716 Ca 0.40 -0.05 -0.15 0.00 0.07 0.00 0.00 59.36 59.64 1bx3 h GLU 716 Cb 0.69 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1bx3 h GLU 716 CO -0.52 0.52 -0.58 -0.44 0.07 0.00 0.00 179.01 178.07 1bx3 h ASP 717 N 0.81 0.36 -0.31 3.06 3.32 -1.27 -2.57 116.42 119.83 1bx3 h ASP 717 Ca 0.42 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 1bx3 h ASP 717 Cb 0.50 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1bx3 h ASP 717 CO -0.18 0.86 -0.03 0.58 -1.72 0.00 0.00 179.24 178.74 1bx3 h VAL 718 N 0.24 1.27 -0.77 -1.35 2.07 -0.54 -2.49 116.25 114.68 1bx3 h VAL 718 Ca -0.00 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.53 1bx3 h VAL 718 Cb 1.09 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 1bx3 h VAL 718 CO 0.09 0.33 0.48 0.44 0.02 0.00 0.00 177.57 178.94 1bx3 h ASP 719 N 0.35 0.79 -0.35 0.57 3.32 -1.14 -0.38 116.42 119.57 1bx3 h ASP 719 Ca 0.08 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1bx3 h ASP 719 Cb 0.49 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1bx3 h ASP 719 CO 0.02 0.54 -0.02 0.03 -1.72 0.00 0.00 179.24 178.10 1bx3 h ARG 720 N 0.94 0.73 -0.41 3.56 3.08 -1.34 0.14 114.38 121.09 1bx3 h ARG 720 Ca 0.31 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 1bx3 h ARG 720 Cb 0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1bx3 h ARG 720 CO -0.12 0.76 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.43 1bx3 h LEU 721 N 0.68 0.74 -0.73 3.04 3.38 -0.94 -2.68 115.31 118.80 1bx3 h LEU 721 Ca 0.13 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1bx3 h LEU 721 Cb 0.45 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1bx3 h LEU 721 CO 0.02 0.90 0.43 0.44 0.09 0.00 0.00 178.44 180.31 1bx3 h ASP 722 N 0.57 0.90 -0.95 -0.43 3.32 -0.57 0.70 116.42 119.95 1bx3 h ASP 722 Ca 0.11 -0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.15 1bx3 h ASP 722 Cb 0.54 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 39.80 1bx3 h ASP 722 CO 0.03 0.71 0.60 1.56 -1.72 0.00 0.00 179.24 180.42 1bx3 h GLN 723 N 1.01 1.05 -0.01 3.56 4.20 -0.50 -2.63 115.11 121.79 1bx3 h GLN 723 Ca 0.26 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1bx3 h GLN 723 Cb -0.01 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.54 1bx3 h GLN 723 CO -0.05 0.69 -0.65 2.89 -0.67 0.00 0.00 178.83 181.05 1bx3 n ARG 724 N -4.56 0.89 -0.08 1.46 1.85 -1.00 -5.06 116.66 110.16 1bx3 n ARG 724 Ca 0.15 -0.62 0.00 0.00 -1.00 0.00 0.00 57.85 56.37 1bx3 n ARG 724 Cb 0.20 -1.46 0.00 0.00 -1.05 0.00 0.00 32.46 30.15 1bx3 n ARG 724 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1bx3 n GLY 725 N 1.43 0.14 3.65 2.89 0.00 0.24 -4.97 105.19 108.56 1bx3 n GLY 725 Ca 0.07 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 1bx3 n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1bx3 s TYR 726 N -0.12 3.21 -0.42 1.61 5.04 -1.21 -4.85 117.35 120.63 1bx3 s TYR 726 Ca 0.00 1.32 0.01 0.00 -2.44 0.00 0.00 57.07 55.96 1bx3 s TYR 726 Cb 0.00 -3.46 0.11 0.00 0.35 0.00 0.00 41.96 38.97 1bx3 s TYR 726 CO 0.00 -0.71 0.17 1.21 -1.34 0.00 0.00 175.55 174.88 1bx3 s ASN 727 N 1.47 4.93 0.53 4.32 2.47 -1.26 -4.96 114.94 122.45 1bx3 s ASN 727 Ca 0.46 -2.30 0.23 0.00 0.42 0.00 0.00 52.86 51.67 1bx3 s ASN 727 Cb -0.15 -1.73 1.47 0.00 -1.45 0.00 0.00 41.25 39.40 1bx3 s ASN 727 CO 0.10 -0.42 2.15 0.00 -3.72 0.00 0.00 177.10 175.21 1bx3 h ALA 728 N 7.56 1.62 -0.72 1.71 0.00 -1.86 -2.71 119.26 124.86 1bx3 h ALA 728 Ca -0.07 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1bx3 h ALA 728 Cb 1.01 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1bx3 h ALA 728 CO 0.63 0.07 0.45 0.37 0.00 0.00 0.00 179.25 180.77 1bx3 h GLN 729 N 0.00 0.85 -0.53 0.00 5.75 -1.91 -1.95 115.11 117.32 1bx3 h GLN 729 Ca -0.00 -0.05 0.10 0.00 -0.15 0.00 0.00 58.65 58.55 1bx3 h GLN 729 Cb 0.13 -0.19 -0.08 0.00 1.07 0.00 0.00 27.48 28.40 1bx3 h GLN 729 CO 0.01 0.56 0.04 1.49 -2.65 0.00 0.00 178.83 178.28 1bx3 h GLU 730 N 0.88 0.16 -0.66 1.69 4.81 -1.89 0.33 114.58 119.90 1bx3 h GLU 730 Ca 0.29 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.45 1bx3 h GLU 730 Cb 0.02 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1bx3 h GLU 730 CO -0.11 0.11 0.17 1.88 -0.73 0.00 0.00 179.01 180.32 1bx3 h TYR 731 N 0.16 1.10 -0.31 0.92 0.05 -1.58 -0.41 116.97 116.90 1bx3 h TYR 731 Ca 0.27 -0.13 -0.00 0.00 0.05 0.00 0.00 58.73 58.92 1bx3 h TYR 731 Cb 0.41 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1bx3 h TYR 731 CO -0.29 0.91 0.18 -0.92 -1.05 0.00 0.00 178.16 176.99 1bx3 h TYR 732 N 0.98 0.41 -0.71 4.88 5.03 -0.47 -1.78 116.97 125.30 1bx3 h TYR 732 Ca 0.21 -0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.45 1bx3 h TYR 732 Cb 0.35 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.47 1bx3 h TYR 732 CO 0.03 0.31 0.20 -0.44 -1.32 0.00 0.00 178.16 176.93 1bx3 h ASP 733 N 0.40 1.05 0.35 -2.11 3.32 -0.08 -3.24 116.42 116.11 1bx3 h ASP 733 Ca 0.11 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1bx3 h ASP 733 Cb 0.02 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.29 1bx3 h ASP 733 CO -0.02 0.99 -0.34 0.54 -1.72 0.00 0.00 179.24 178.69 1bx3 n ARG 734 N -4.24 0.50 -3.88 3.56 1.74 -0.19 -4.74 116.66 109.41 1bx3 n ARG 734 Ca 0.06 -0.29 -0.30 0.00 -0.77 0.00 0.00 57.85 56.55 1bx3 n ARG 734 Cb 0.24 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 30.04 1bx3 n ARG 734 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bx3 s ILE 735 N -2.70 1.82 0.36 0.55 1.01 -0.68 -5.00 121.20 116.56 1bx3 s ILE 735 Ca 0.19 -2.32 0.10 0.00 0.00 0.00 0.00 60.65 58.62 1bx3 s ILE 735 Cb 0.19 -2.32 0.33 0.00 0.01 0.00 0.00 42.46 40.66 1bx3 s ILE 735 CO 0.59 -0.71 1.86 1.55 0.00 0.00 0.00 174.94 178.22 1bx3 h PRO 736 N 7.38 0.65 -0.26 2.79 0.13 -1.85 -1.34 132.00 139.49 1bx3 h PRO 736 Ca -0.07 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.90 1bx3 h PRO 736 Cb 0.98 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 1bx3 h PRO 736 CO 0.53 0.43 -0.34 0.93 -0.23 0.00 0.00 178.00 179.32 1bx3 h GLU 737 N 0.67 0.57 -0.27 0.86 5.08 -1.94 -1.95 114.58 117.60 1bx3 h GLU 737 Ca 0.47 -0.27 -0.13 0.00 -1.00 0.00 0.00 59.36 58.43 1bx3 h GLU 737 Cb 0.80 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1bx3 h GLU 737 CO -0.22 0.84 -0.35 1.25 -1.00 0.00 0.00 179.01 179.52 1bx3 h LEU 738 N 0.48 0.78 -0.56 1.33 5.85 -1.75 -3.03 115.31 118.42 1bx3 h LEU 738 Ca 0.05 -0.50 0.09 0.00 0.84 0.00 0.00 57.88 58.36 1bx3 h LEU 738 Cb 0.83 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 1bx3 h LEU 738 CO 0.07 1.13 0.19 -0.09 -0.34 0.00 0.00 178.44 179.40 1bx3 h ARG 739 N 0.46 0.35 -0.59 1.25 2.43 -1.12 -1.61 114.38 115.54 1bx3 h ARG 739 Ca 0.03 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.24 1bx3 h ARG 739 Cb 0.94 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.36 1bx3 h ARG 739 CO 0.08 0.23 0.31 0.37 -1.51 0.00 0.00 179.97 179.45 1bx3 h GLN 740 N 0.36 0.56 -0.48 0.20 4.15 -1.28 -1.90 115.11 116.72 1bx3 h GLN 740 Ca 0.28 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.59 1bx3 h GLN 740 Cb 0.34 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 1bx3 h GLN 740 CO -0.30 0.37 0.01 0.82 -1.93 0.00 0.00 178.83 177.80 1bx3 h ILE 741 N 0.58 1.26 -0.55 2.39 2.04 -1.26 -1.69 117.51 120.28 1bx3 h ILE 741 Ca 0.27 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 1bx3 h ILE 741 Cb 0.18 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1bx3 h ILE 741 CO -0.18 0.37 0.23 0.40 0.00 0.00 0.00 178.15 178.96 1bx3 h ILE 742 N 0.70 1.20 0.00 -0.67 1.08 -1.04 -1.33 117.51 117.44 1bx3 h ILE 742 Ca 0.14 -0.60 -0.14 0.00 -0.39 0.00 0.00 64.86 63.87 1bx3 h ILE 742 Cb 0.50 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 1bx3 h ILE 742 CO 0.02 0.24 -0.65 -0.33 -0.69 0.00 0.00 178.15 176.74 1bx3 h GLU 743 N 0.79 0.00 -0.28 2.37 4.39 -1.14 0.27 114.58 120.99 1bx3 h GLU 743 Ca 0.19 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.78 1bx3 h GLU 743 Cb 0.14 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1bx3 h GLU 743 CO -0.02 0.65 -0.27 1.96 -1.16 0.00 0.00 179.01 180.17 1bx3 h GLN 744 N 0.00 0.67 -0.10 2.33 4.20 -0.70 0.12 115.11 121.63 1bx3 h GLN 744 Ca -0.01 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.34 1bx3 h GLN 744 Cb 1.20 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.99 1bx3 h GLN 744 CO 0.08 0.96 0.01 -0.07 -0.67 0.00 0.00 178.83 179.15 1bx3 h LEU 745 N 0.41 0.16 -0.04 1.46 3.38 -1.16 0.17 115.31 119.69 1bx3 h LEU 745 Ca 0.04 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1bx3 h LEU 745 Cb 0.84 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1bx3 h LEU 745 CO 0.07 0.39 0.03 0.28 0.09 0.00 0.00 178.44 179.29 1bx3 h SER 746 N -0.07 0.05 0.99 -0.43 0.02 -0.90 -3.00 113.55 110.21 1bx3 h SER 746 Ca 0.03 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1bx3 h SER 746 Cb 0.30 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1bx3 h SER 746 CO 0.00 0.04 0.00 0.77 -1.14 0.00 0.00 176.83 176.50 1bx3 h SER 747 N 0.05 0.00 0.00 3.07 4.64 -0.79 -3.43 113.55 117.08 1bx3 h SER 747 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1bx3 h SER 747 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1bx3 h SER 747 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1bx3 n GLY 748 N 0.09 1.49 0.25 -0.77 0.00 -1.00 -4.76 105.19 100.48 1bx3 n GLY 748 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 1bx3 n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1bx3 h PHE 749 N 0.00 0.42 -0.57 1.61 3.57 -0.90 -1.73 116.94 119.34 1bx3 h PHE 749 Ca 0.00 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1bx3 h PHE 749 Cb 0.00 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1bx3 h PHE 749 CO 0.00 0.52 0.00 1.19 -2.23 0.00 0.00 178.31 177.79 1bx3 n PHE 750 N -4.22 1.51 -2.73 0.41 3.72 -1.25 -4.49 117.46 110.41 1bx3 n PHE 750 Ca 0.00 -0.67 -0.08 0.00 -0.05 0.00 0.00 57.45 56.65 1bx3 n PHE 750 Cb 0.31 -0.31 0.08 0.00 -0.94 0.00 0.00 39.48 38.62 1bx3 n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1bx3 n SER 751 N 0.76 -2.35 -0.32 4.37 3.41 -0.88 -4.76 113.62 113.85 1bx3 n SER 751 Ca 0.25 -3.39 0.09 0.00 -0.26 0.00 0.00 58.87 55.55 1bx3 n SER 751 Cb 0.94 1.81 0.29 0.00 -0.26 0.00 0.00 64.21 66.99 1bx3 n SER 751 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1bx3 h PRO 752 N 3.18 0.86 0.00 4.33 0.13 -1.56 -0.99 132.00 137.94 1bx3 h PRO 752 Ca -0.14 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.93 1bx3 h PRO 752 Cb 1.10 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 1bx3 h PRO 752 CO 0.16 0.57 -0.06 0.87 -0.23 0.00 0.00 178.00 179.31 1bx3 h LYS 753 N 0.89 0.00 -2.01 0.86 1.57 -1.96 -3.35 116.57 112.56 1bx3 h LYS 753 Ca 0.47 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.71 1bx3 h LYS 753 Cb 0.54 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 32.48 1bx3 h LYS 753 CO -0.23 0.06 -1.00 0.94 -0.57 0.00 0.00 179.45 178.64 1bx3 n GLN 754 N -3.13 0.49 -0.37 3.15 7.27 -0.61 -5.02 117.38 119.15 1bx3 n GLN 754 Ca 0.02 -3.08 0.30 0.00 0.07 0.00 0.00 57.00 54.31 1bx3 n GLN 754 Cb 0.47 -1.42 0.56 0.00 2.41 0.00 0.00 30.24 32.25 1bx3 n GLN 754 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 1bx3 h PRO 755 N 4.72 0.18 -0.51 3.69 0.11 -1.37 0.07 132.00 138.89 1bx3 h PRO 755 Ca 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1bx3 h PRO 755 Cb 0.91 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1bx3 h PRO 755 CO 0.40 0.12 0.00 -0.40 -0.21 0.00 0.00 178.00 177.91 1bx3 n ASP 756 N -4.90 2.69 -0.32 -2.05 5.75 -1.26 -3.23 116.55 113.22 1bx3 n ASP 756 Ca 0.34 -2.13 0.14 0.00 -0.01 0.00 0.00 54.79 53.13 1bx3 n ASP 756 Cb 1.19 -0.37 0.36 0.00 -1.03 0.00 0.00 41.12 41.27 1bx3 n ASP 756 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1bx3 h LEU 757 N 2.52 0.70 -3.32 -2.12 5.85 -1.29 -2.65 115.31 115.01 1bx3 h LEU 757 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1bx3 h LEU 757 Cb 0.77 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1bx3 h LEU 757 CO 0.07 0.29 0.00 0.49 -0.34 0.00 0.00 178.44 178.95 1bx3 n PHE 758 N -4.66 1.53 -0.25 1.25 3.72 -1.26 -4.64 117.46 113.16 1bx3 n PHE 758 Ca 0.21 -0.71 0.20 0.00 -0.05 0.00 0.00 57.45 57.10 1bx3 n PHE 758 Cb 0.56 -0.35 0.52 0.00 -0.94 0.00 0.00 39.48 39.27 1bx3 n PHE 758 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1bx3 h LYS 759 N 3.42 0.38 -0.17 -1.08 2.10 -1.79 -0.63 116.57 118.80 1bx3 h LYS 759 Ca 0.00 -0.02 -0.16 0.00 -2.00 0.00 0.00 60.65 58.47 1bx3 h LYS 759 Cb 1.61 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 32.85 1bx3 h LYS 759 CO 0.32 0.25 -0.54 -0.44 -2.00 0.00 0.00 179.45 177.04 1bx3 h ASP 760 N 0.40 0.57 -0.25 7.07 3.32 -1.85 0.11 116.42 125.79 1bx3 h ASP 760 Ca 0.48 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 1bx3 h ASP 760 Cb 1.21 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1bx3 h ASP 760 CO -0.18 1.00 -0.17 0.40 -1.72 0.00 0.00 179.24 178.56 1bx3 h ILE 761 N 0.40 1.31 -0.01 0.35 2.04 -1.50 -1.43 117.51 118.67 1bx3 h ILE 761 Ca 0.01 -1.30 -0.00 0.00 1.00 0.00 0.00 64.86 64.57 1bx3 h ILE 761 Cb 1.07 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1bx3 h ILE 761 CO 0.10 0.40 0.00 0.58 0.00 0.00 0.00 178.15 179.24 1bx3 h VAL 762 N 0.27 1.06 -0.71 1.67 2.07 -1.23 -1.55 116.25 117.83 1bx3 h VAL 762 Ca 0.05 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.43 1bx3 h VAL 762 Cb 0.71 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 1bx3 h VAL 762 CO 0.05 0.05 0.43 -1.13 0.02 0.00 0.00 177.57 176.98 1bx3 h ASN 763 N -0.07 0.67 -0.73 0.57 -1.24 -0.76 -0.44 115.58 113.57 1bx3 h ASN 763 Ca 0.00 0.01 -0.05 0.00 0.71 0.00 0.00 56.30 56.97 1bx3 h ASN 763 Cb 0.08 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 38.97 1bx3 h ASN 763 CO -0.00 0.45 0.25 -0.03 -1.29 0.00 0.00 177.43 176.80 1bx3 h MET 764 N 0.80 1.12 -0.10 6.67 4.05 -1.07 0.51 114.93 126.91 1bx3 h MET 764 Ca 0.30 -0.23 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 1bx3 h MET 764 Cb 0.11 -0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 30.74 1bx3 h MET 764 CO -0.15 0.95 0.00 -0.07 0.23 0.00 0.00 176.91 177.87 1bx3 h LEU 765 N 1.07 0.17 -0.65 3.39 3.38 -0.70 0.47 115.31 122.44 1bx3 h LEU 765 Ca 0.24 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1bx3 h LEU 765 Cb 0.28 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1bx3 h LEU 765 CO -0.01 0.43 -0.37 0.24 0.09 0.00 0.00 178.44 178.81 1bx3 h MET 766 N -0.10 0.63 0.00 1.13 2.86 -1.01 -3.40 114.93 115.04 1bx3 h MET 766 Ca 0.03 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1bx3 h MET 766 Cb 0.34 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1bx3 h MET 766 CO 0.00 0.90 -0.21 0.72 1.06 0.00 0.00 176.91 179.39 1bx3 n HIS 767 N -4.05 0.00 -2.43 -0.22 8.25 0.16 -4.26 115.22 112.67 1bx3 n HIS 767 Ca -0.01 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.46 1bx3 n HIS 767 Cb 0.50 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.67 1bx3 n HIS 767 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1bx3 n HIS 768 N -0.64 0.49 -2.79 4.41 8.25 0.72 -5.01 115.22 120.65 1bx3 n HIS 768 Ca 0.00 -1.16 -0.43 0.00 -0.26 0.00 0.00 57.72 55.87 1bx3 n HIS 768 Cb 0.00 -0.20 -0.04 0.00 1.12 0.00 0.00 29.99 30.88 1bx3 n HIS 768 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1bx3 s ASP 769 N -2.73 6.33 0.27 0.41 -1.08 0.13 -4.86 116.67 115.15 1bx3 s ASP 769 Ca 0.34 -0.34 0.26 0.00 -0.52 0.00 0.00 52.55 52.28 1bx3 s ASP 769 Cb 0.37 -2.46 0.83 0.00 -1.46 0.00 0.00 42.92 40.20 1bx3 s ASP 769 CO -0.11 -1.31 1.75 0.03 0.52 0.00 0.00 175.17 176.05 1bx3 h ARG 770 N 9.40 0.00 -0.28 4.34 3.08 -1.96 -3.27 114.38 125.70 1bx3 h ARG 770 Ca -0.26 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 1bx3 h ARG 770 Cb 1.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 1bx3 h ARG 770 CO 1.12 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 181.21 1bx3 n PHE 771 N -2.41 1.00 -3.77 3.04 3.72 -1.26 -5.02 117.46 112.75 1bx3 n PHE 771 Ca 0.04 -0.89 -0.28 0.00 -0.05 0.00 0.00 57.45 56.27 1bx3 n PHE 771 Cb 0.39 -0.33 0.01 0.00 -0.94 0.00 0.00 39.48 38.61 1bx3 n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1bx3 n LYS 772 N -0.49 -0.81 -0.05 -1.08 5.02 -1.23 -4.77 118.16 114.75 1bx3 n LYS 772 Ca 0.22 0.26 -0.11 0.00 -2.02 0.00 0.00 58.31 56.66 1bx3 n LYS 772 Cb 0.91 -1.73 -0.05 0.00 -0.02 0.00 0.00 35.03 34.14 1bx3 n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1bx3 h VAL 773 N -0.72 1.22 -0.81 -0.18 2.07 -1.93 -3.16 116.25 112.74 1bx3 h VAL 773 Ca -0.54 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.29 1bx3 h VAL 773 Cb 1.11 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 1bx3 h VAL 773 CO 0.35 0.21 0.53 -0.26 0.02 0.00 0.00 177.57 178.43 1bx3 h PHE 774 N 0.07 1.01 -0.07 1.57 -1.00 -1.91 -2.88 116.94 113.73 1bx3 h PHE 774 Ca 0.05 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.88 1bx3 h PHE 774 Cb 0.30 -0.34 -0.00 0.00 3.61 0.00 0.00 35.95 39.51 1bx3 h PHE 774 CO 0.02 0.63 0.06 0.00 -1.61 0.00 0.00 178.31 177.42 1bx3 h ALA 775 N 1.50 1.81 -0.25 2.45 0.00 -1.93 -2.10 119.26 120.73 1bx3 h ALA 775 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1bx3 h ALA 775 Cb -0.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1bx3 h ALA 775 CO -0.06 -0.10 0.00 -0.25 0.00 0.00 0.00 179.25 178.83 1bx3 n ASP 776 N -4.11 2.66 0.32 0.00 8.00 -1.10 -4.69 116.55 117.63 1bx3 n ASP 776 Ca -0.01 -1.83 -0.17 0.00 0.71 0.00 0.00 54.79 53.49 1bx3 n ASP 776 Cb 0.17 -0.16 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 1bx3 n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1bx3 h TYR 777 N 2.21 -0.72 -0.13 1.24 3.20 -1.22 -1.69 116.97 119.86 1bx3 h TYR 777 Ca 0.00 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.88 1bx3 h TYR 777 Cb 0.66 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 1bx3 h TYR 777 CO 0.16 -0.44 -0.06 0.93 -1.64 0.00 0.00 178.16 177.12 1bx3 h GLU 778 N -0.80 -0.04 -0.83 1.82 5.08 -1.84 -1.26 114.58 116.72 1bx3 h GLU 778 Ca -0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1bx3 h GLU 778 Cb 0.60 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 1bx3 h GLU 778 CO 0.13 -0.03 0.44 0.93 -1.00 0.00 0.00 179.01 179.48 1bx3 h GLU 779 N -0.04 1.16 -0.11 2.33 4.39 -1.87 -2.22 114.58 118.22 1bx3 h GLU 779 Ca 0.07 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1bx3 h GLU 779 Cb 0.15 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1bx3 h GLU 779 CO -0.16 0.86 0.04 -0.92 -1.16 0.00 0.00 179.01 177.67 1bx3 h TYR 780 N 1.16 0.16 -0.79 4.33 3.20 -0.89 0.28 116.97 124.43 1bx3 h TYR 780 Ca 0.29 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 1bx3 h TYR 780 Cb 0.05 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 1bx3 h TYR 780 CO 0.01 0.27 0.38 0.28 -1.64 0.00 0.00 178.16 177.46 1bx3 h VAL 781 N 0.01 1.25 -0.45 1.81 2.07 -1.13 -1.04 116.25 118.77 1bx3 h VAL 781 Ca 0.04 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 1bx3 h VAL 781 Cb 0.18 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1bx3 h VAL 781 CO -0.00 0.29 0.08 0.11 0.02 0.00 0.00 177.57 178.07 1bx3 h LYS 782 N 1.13 0.74 -0.81 1.57 6.56 -1.25 -2.33 116.57 122.17 1bx3 h LYS 782 Ca 0.27 -0.20 -0.01 0.00 -1.06 0.00 0.00 60.65 59.66 1bx3 h LYS 782 Cb 0.11 -0.09 -0.04 0.00 -0.57 0.00 0.00 32.23 31.64 1bx3 h LYS 782 CO -0.04 0.76 0.46 0.00 -2.06 0.00 0.00 179.45 178.58 1bx3 h GLN 784 N 1.12 0.01 -0.64 0.00 1.08 -1.02 -1.45 115.11 114.21 1bx3 h GLN 784 Ca 0.29 -0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.44 1bx3 h GLN 784 Cb 0.00 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 1bx3 h GLN 784 CO -0.05 0.21 0.22 0.93 -0.95 0.00 0.00 178.83 179.19 1bx3 h GLU 785 N 0.01 0.98 -0.07 1.46 5.08 -0.74 -1.52 114.58 119.78 1bx3 h GLU 785 Ca -0.00 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.06 1bx3 h GLU 785 Cb 0.37 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1bx3 h GLU 785 CO 0.03 0.85 -0.39 0.00 -1.00 0.00 0.00 179.01 178.49 1bx3 h ARG 786 N 0.91 0.14 0.03 2.33 3.08 -0.96 -1.38 114.38 118.52 1bx3 h ARG 786 Ca 0.21 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 1bx3 h ARG 786 Cb 0.27 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1bx3 h ARG 786 CO -0.01 0.52 -0.01 0.28 -1.07 0.00 0.00 179.97 179.67 1bx3 h VAL 787 N 0.12 1.08 -0.85 2.04 2.07 -0.62 -1.85 116.25 118.24 1bx3 h VAL 787 Ca 0.01 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.22 1bx3 h VAL 787 Cb 0.75 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 1bx3 h VAL 787 CO 0.06 0.09 0.55 0.28 0.02 0.00 0.00 177.57 178.57 1bx3 h SER 788 N -0.18 0.94 -0.34 0.57 0.02 -1.08 -1.17 113.55 112.31 1bx3 h SER 788 Ca -0.00 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 60.99 1bx3 h SER 788 Cb 0.17 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.43 1bx3 h SER 788 CO 0.01 0.67 0.03 0.00 -1.14 0.00 0.00 176.83 176.39 1bx3 h ALA 789 N 1.33 0.33 -0.46 3.77 0.00 -0.97 -1.77 119.26 121.49 1bx3 h ALA 789 Ca 0.32 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.21 1bx3 h ALA 789 Cb -0.07 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1bx3 h ALA 789 CO -0.09 -0.37 -0.15 1.25 0.00 0.00 0.00 179.25 179.89 1bx3 h LEU 790 N 0.14 0.87 -2.12 0.00 5.85 -0.98 -2.79 115.31 116.28 1bx3 h LEU 790 Ca 0.16 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1bx3 h LEU 790 Cb 0.21 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1bx3 h LEU 790 CO -0.25 1.01 -0.06 0.22 -0.34 0.00 0.00 178.44 179.03 1bx3 h TYR 791 N 0.77 0.00 0.00 1.25 3.20 -0.64 -0.35 116.97 121.20 1bx3 h TYR 791 Ca 0.12 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 1bx3 h TYR 791 Cb 0.67 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 1bx3 h TYR 791 CO 0.04 0.06 -0.02 0.87 -1.64 0.00 0.00 178.16 177.47 1bx3 h LYS 792 N 0.00 0.00 -3.40 1.82 1.57 -1.05 -3.30 116.57 112.21 1bx3 h LYS 792 Ca -0.00 0.00 -0.71 0.00 -1.87 0.00 0.00 60.65 58.07 1bx3 h LYS 792 Cb 0.14 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 32.10 1bx3 h LYS 792 CO 0.01 0.02 -0.15 1.21 -0.57 0.00 0.00 179.45 179.96 1bx3 s ASN 793 N -5.56 5.84 0.26 0.86 3.84 -0.14 -4.96 114.94 115.09 1bx3 s ASN 793 Ca -0.01 -3.47 -0.03 0.00 0.21 0.00 0.00 52.86 49.56 1bx3 s ASN 793 Cb 0.11 -1.91 0.55 0.00 -0.55 0.00 0.00 41.25 39.45 1bx3 s ASN 793 CO 0.50 -0.24 1.65 -0.65 -2.79 0.00 0.00 177.10 175.57 1bx3 h PRO 794 N 6.33 0.17 -0.38 0.43 0.11 -1.75 -0.69 132.00 136.23 1bx3 h PRO 794 Ca 0.11 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.23 1bx3 h PRO 794 Cb 0.86 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 1bx3 h PRO 794 CO 0.82 0.12 0.23 -0.09 -0.21 0.00 0.00 178.00 178.86 1bx3 h ARG 795 N 0.18 0.46 -0.00 1.05 2.43 -1.93 -1.76 114.38 114.81 1bx3 h ARG 795 Ca 0.47 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.48 1bx3 h ARG 795 Cb 0.88 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 1bx3 h ARG 795 CO -0.63 0.30 -0.64 0.93 -1.51 0.00 0.00 179.97 178.41 1bx3 h GLU 796 N 0.47 0.01 0.29 0.20 4.39 -1.71 -1.76 114.58 116.48 1bx3 h GLU 796 Ca 0.15 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1bx3 h GLU 796 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1bx3 h GLU 796 CO -0.06 0.65 -0.14 2.35 -1.16 0.00 0.00 179.01 180.65 1bx3 h TRP 797 N 0.01 -0.36 -0.44 4.33 2.91 -0.85 -1.98 115.95 119.57 1bx3 h TRP 797 Ca -0.01 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 59.96 1bx3 h TRP 797 Cb 1.14 0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 29.89 1bx3 h TRP 797 CO 0.00 -0.18 0.10 1.15 -1.03 0.00 0.00 178.44 178.48 1bx3 h THR 798 N -0.45 1.20 -0.23 2.65 2.02 -1.26 -1.08 112.91 115.76 1bx3 h THR 798 Ca -0.04 -0.71 -0.10 0.00 0.77 0.00 0.00 66.41 66.33 1bx3 h THR 798 Cb 0.34 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1bx3 h THR 798 CO 0.07 0.26 -0.29 0.03 0.37 0.00 0.00 175.52 175.95 1bx3 h ARG 799 N 0.64 0.45 -0.01 6.66 3.08 -1.21 -0.14 114.38 123.85 1bx3 h ARG 799 Ca 0.15 -0.18 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 1bx3 h ARG 799 Cb 0.25 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1bx3 h ARG 799 CO -0.00 0.70 -0.72 1.98 -1.07 0.00 0.00 179.97 180.86 1bx3 h MET 800 N 0.39 0.06 -0.03 0.04 4.05 -0.82 -2.30 114.93 116.32 1bx3 h MET 800 Ca 0.05 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 1bx3 h MET 800 Cb 0.71 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.52 1bx3 h MET 800 CO 0.05 0.75 0.00 0.28 0.23 0.00 0.00 176.91 178.22 1bx3 h VAL 801 N 0.04 1.25 -0.95 -5.77 2.07 -0.71 -2.28 116.25 109.90 1bx3 h VAL 801 Ca -0.01 -0.74 0.13 0.00 0.82 0.00 0.00 66.70 66.90 1bx3 h VAL 801 Cb 1.27 1.68 -0.09 0.00 -1.52 0.00 0.00 31.29 32.63 1bx3 h VAL 801 CO 0.10 0.20 0.57 0.40 0.02 0.00 0.00 177.57 178.86 1bx3 h ILE 802 N -0.23 0.85 0.00 4.57 2.04 -0.94 0.68 117.51 124.48 1bx3 h ILE 802 Ca 0.01 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1bx3 h ILE 802 Cb 0.32 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1bx3 h ILE 802 CO 0.00 0.16 -0.03 0.03 0.00 0.00 0.00 178.15 178.31 1bx3 h ARG 803 N 0.86 0.00 0.00 2.37 3.08 -1.14 -0.78 114.38 118.77 1bx3 h ARG 803 Ca 0.49 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.47 1bx3 h ARG 803 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1bx3 h ARG 803 CO -0.30 0.03 -0.44 -0.91 -1.07 0.00 0.00 179.97 177.27 1bx3 h ASN 804 N 0.00 0.00 -0.66 7.04 2.35 0.86 -3.29 115.58 121.88 1bx3 h ASN 804 Ca -0.00 -0.52 0.07 0.00 -0.55 0.00 0.00 56.30 55.30 1bx3 h ASN 804 Cb 0.32 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.63 1bx3 h ASN 804 CO 0.00 1.01 0.34 0.40 -1.65 0.00 0.00 177.43 177.54 1bx3 h ILE 805 N -1.00 0.92 0.00 2.81 2.04 -0.99 -1.25 117.51 120.05 1bx3 h ILE 805 Ca -0.10 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1bx3 h ILE 805 Cb 0.83 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1bx3 h ILE 805 CO -0.06 0.11 0.00 0.00 0.00 0.00 0.00 178.15 178.20 1bx3 h ALA 806 N 1.37 1.00 -0.03 1.87 0.00 -1.30 -2.59 119.26 119.58 1bx3 h ALA 806 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1bx3 h ALA 806 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1bx3 h ALA 806 CO -0.21 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.29 1bx3 n THR 807 N -3.00 1.82 0.76 0.00 -2.24 -0.51 -2.35 114.28 108.76 1bx3 n THR 807 Ca -0.03 -2.08 0.13 0.00 -2.27 0.00 0.00 64.05 59.80 1bx3 n THR 807 Cb 0.07 -0.15 0.35 0.00 -2.10 0.00 0.00 70.33 68.50 1bx3 n THR 807 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1bx3 n SER 808 N -1.23 0.55 -0.32 3.42 3.41 -0.97 -4.41 113.62 114.07 1bx3 n SER 808 Ca 0.15 0.26 0.30 0.00 -0.26 0.00 0.00 58.87 59.32 1bx3 n SER 808 Cb 0.62 -0.23 0.56 0.00 -0.26 0.00 0.00 64.21 64.90 1bx3 n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1bx3 h GLY 809 N 4.71 2.18 2.00 5.00 0.00 -1.78 0.21 103.07 115.39 1bx3 h GLY 809 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 1bx3 h GLY 809 CO 0.00 -0.77 -0.01 1.70 0.00 0.00 0.00 176.54 177.47 1bx3 h LYS 810 N 0.02 0.00 -0.79 4.80 3.64 -1.89 -2.87 116.57 119.48 1bx3 h LYS 810 Ca 0.82 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 60.10 1bx3 h LYS 810 Cb 2.13 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.89 1bx3 h LYS 810 CO -0.77 0.01 0.13 1.19 -2.27 0.00 0.00 179.45 177.74 1bx3 n PHE 811 N -3.42 1.69 -3.22 1.91 3.72 0.06 -4.77 117.46 113.43 1bx3 n PHE 811 Ca -0.03 -0.78 -0.39 0.00 -0.05 0.00 0.00 57.45 56.20 1bx3 n PHE 811 Cb 0.09 -0.50 -0.06 0.00 -0.94 0.00 0.00 39.48 38.07 1bx3 n PHE 811 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1bx3 s SER 812 N -0.57 7.07 0.27 4.37 0.15 -1.08 -0.49 113.70 123.40 1bx3 s SER 812 Ca 0.39 1.27 0.21 0.00 0.70 0.00 0.00 55.95 58.52 1bx3 s SER 812 Cb 0.31 -2.37 1.01 0.00 -1.71 0.00 0.00 66.02 63.26 1bx3 s SER 812 CO 0.10 0.21 1.63 -1.54 1.20 0.00 0.00 173.24 174.85 1bx3 n SER 813 N 2.04 0.55 -0.13 5.45 3.41 0.11 -1.84 113.62 123.22 1bx3 n SER 813 Ca -0.09 0.70 -0.05 0.00 -0.26 0.00 0.00 58.87 59.17 1bx3 n SER 813 Cb 0.51 -0.79 0.13 0.00 -0.26 0.00 0.00 64.21 63.79 1bx3 n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1bx3 h ASP 814 N 0.00 0.82 -0.30 4.04 3.32 -1.92 -0.72 116.42 121.67 1bx3 h ASP 814 Ca 0.00 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 56.76 1bx3 h ASP 814 Cb 0.15 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1bx3 h ASP 814 CO 0.00 0.89 -0.11 -0.09 -1.72 0.00 0.00 179.24 178.21 1bx3 h ARG 815 N 0.79 0.60 0.02 3.56 1.12 -1.69 -1.57 114.38 117.21 1bx3 h ARG 815 Ca 0.15 -0.25 -0.00 0.00 -1.11 0.00 0.00 59.98 58.77 1bx3 h ARG 815 Cb 0.49 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.42 1bx3 h ARG 815 CO 0.02 0.81 -0.01 1.15 -3.11 0.00 0.00 179.97 178.83 1bx3 h THR 816 N 0.36 1.01 -0.48 0.20 2.02 -1.52 -2.43 112.91 112.07 1bx3 h THR 816 Ca 0.07 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1bx3 h THR 816 Cb 0.61 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 1bx3 h THR 816 CO 0.04 0.03 0.27 0.40 0.37 0.00 0.00 175.52 176.63 1bx3 h ILE 817 N -0.08 1.16 -0.95 3.11 1.08 -1.15 -1.06 117.51 119.63 1bx3 h ILE 817 Ca -0.00 -0.39 0.11 0.00 -0.39 0.00 0.00 64.86 64.19 1bx3 h ILE 817 Cb 0.07 0.55 -0.07 0.00 -3.07 0.00 0.00 36.82 34.29 1bx3 h ILE 817 CO 0.00 0.17 0.61 0.00 -0.69 0.00 0.00 178.15 178.24 1bx3 h ALA 818 N 1.12 1.59 -0.34 1.87 0.00 -1.21 0.27 119.26 122.56 1bx3 h ALA 818 Ca 0.17 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1bx3 h ALA 818 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1bx3 h ALA 818 CO -0.03 0.20 -0.01 1.96 0.00 0.00 0.00 179.25 181.38 1bx3 h GLN 819 N 0.94 0.60 -0.38 0.00 4.20 -0.85 -1.28 115.11 118.34 1bx3 h GLN 819 Ca 0.45 -0.19 0.02 0.00 0.06 0.00 0.00 58.65 58.99 1bx3 h GLN 819 Cb 0.45 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 1bx3 h GLN 819 CO -0.21 0.73 0.21 1.88 -0.67 0.00 0.00 178.83 180.76 1bx3 h TYR 820 N 0.40 0.39 0.18 2.96 0.05 0.05 0.22 116.97 121.23 1bx3 h TYR 820 Ca 0.09 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.90 1bx3 h TYR 820 Cb 0.46 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.05 1bx3 h TYR 820 CO 0.04 0.22 -0.26 0.00 -1.05 0.00 0.00 178.16 177.11 1bx3 h ALA 821 N 1.18 -0.48 0.04 3.88 0.00 -0.29 0.65 119.26 124.24 1bx3 h ALA 821 Ca 0.15 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.76 1bx3 h ALA 821 Cb 0.03 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1bx3 h ALA 821 CO -0.08 -0.81 -1.03 0.00 0.00 0.00 0.00 179.25 177.33 1bx3 h ARG 822 N -0.50 0.39 0.00 0.00 3.08 -1.15 0.84 114.38 117.04 1bx3 h ARG 822 Ca 0.01 -0.47 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1bx3 h ARG 822 Cb 0.50 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1bx3 h ARG 822 CO -0.10 1.15 -1.19 0.39 -1.07 0.00 0.00 179.97 179.15 1bx3 n GLU 823 N -3.70 0.56 0.03 0.04 1.02 0.75 -4.35 120.64 114.99 1bx3 n GLU 823 Ca -0.08 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1bx3 n GLU 823 Cb 0.89 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 1bx3 n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1bx3 n ILE 824 N -2.48 0.37 0.10 -3.67 5.41 -0.14 -4.87 119.36 114.07 1bx3 n ILE 824 Ca -0.00 0.12 -0.05 0.00 1.00 0.00 0.00 62.75 63.82 1bx3 n ILE 824 Cb 0.54 -1.26 0.11 0.00 -0.71 0.00 0.00 39.64 38.32 1bx3 n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1bx3 h TRP 825 N 0.00 0.21 -0.52 1.39 6.55 -0.91 -3.48 115.95 119.19 1bx3 h TRP 825 Ca 0.00 -0.09 0.00 0.00 0.95 0.00 0.00 58.89 59.75 1bx3 h TRP 825 Cb 0.44 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 28.70 1bx3 h TRP 825 CO 0.00 0.77 0.00 0.41 -1.05 0.00 0.00 178.44 178.57 1bx3 n GLY 826 N 0.38 0.73 3.14 1.49 0.00 0.28 -4.97 105.19 106.23 1bx3 n GLY 826 Ca -0.02 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 1bx3 n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bx3 s VAL 827 N -2.52 1.02 -0.26 1.61 -7.23 -0.28 -4.99 120.40 107.75 1bx3 s VAL 827 Ca 0.00 -1.08 -0.17 0.00 -1.81 0.00 0.00 61.98 58.92 1bx3 s VAL 827 Cb 0.00 -0.96 -0.03 0.00 0.56 0.00 0.00 36.38 35.95 1bx3 s VAL 827 CO 0.00 -0.11 0.48 -0.70 -0.31 0.00 0.00 175.10 174.46 1bx3 s GLU 828 N -1.34 4.07 0.92 4.82 2.56 -1.26 -3.40 118.70 125.05 1bx3 s GLU 828 Ca -0.01 0.26 -0.11 0.00 0.00 0.00 0.00 54.97 55.11 1bx3 s GLU 828 Cb -0.09 -3.64 0.14 0.00 2.00 0.00 0.00 34.13 32.54 1bx3 s GLU 828 CO 0.01 -0.31 1.10 -1.25 -0.56 0.00 0.00 175.26 174.25 1bx3 s PRO 829 N 2.18 1.06 -0.26 4.30 0.04 -1.26 -4.97 135.00 136.08 1bx3 s PRO 829 Ca 0.20 1.16 -0.17 0.00 0.04 0.00 0.00 61.00 62.23 1bx3 s PRO 829 Cb -0.16 -1.76 0.08 0.00 0.04 0.00 0.00 34.50 32.70 1bx3 s PRO 829 CO 0.09 -2.48 0.66 0.45 0.04 0.00 0.00 177.00 175.77 1bx3 s SER 830 N -3.01 -0.86 0.00 6.66 0.15 -0.35 -5.02 113.70 111.27 1bx3 s SER 830 Ca 0.65 1.43 0.24 0.00 0.70 0.00 0.00 55.95 58.96 1bx3 s SER 830 Cb -0.21 1.33 0.70 0.00 -1.71 0.00 0.00 66.02 66.14 1bx3 s SER 830 CO 0.58 -0.23 1.54 0.54 1.20 0.00 0.00 173.24 176.87 1bx3 n ARG 831 N 3.98 1.92 -1.73 5.44 5.12 -1.26 -2.62 116.66 127.51 1bx3 n ARG 831 Ca -0.19 -1.37 -0.42 0.00 -1.93 0.00 0.00 57.85 53.94 1bx3 n ARG 831 Cb 0.58 -1.45 -0.02 0.00 -1.16 0.00 0.00 32.46 30.41 1bx3 n ARG 831 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1bx3 n GLN 832 N 0.61 2.73 -2.42 5.56 -0.06 -1.26 -4.93 117.38 117.61 1bx3 n GLN 832 Ca 0.17 0.98 -0.35 0.00 -2.00 0.00 0.00 57.00 55.79 1bx3 n GLN 832 Cb 0.42 -2.79 -0.02 0.00 -4.06 0.00 0.00 30.24 23.78 1bx3 n GLN 832 CO 0.00 0.00 0.00 0.50 -0.20 0.00 0.00 177.06 177.36 1bx3 s ARG 833 N 0.34 3.77 0.21 3.69 3.52 -1.26 -4.92 118.95 124.30 1bx3 s ARG 833 Ca 0.70 1.53 0.02 0.00 -0.13 0.00 0.00 55.73 57.85 1bx3 s ARG 833 Cb -0.50 -2.23 -0.04 0.00 -1.56 0.00 0.00 34.95 30.62 1bx3 s ARG 833 CO 0.40 -0.49 0.37 -0.51 -0.81 0.00 0.00 175.30 174.27 1bx3 s LEU 834 N -3.29 4.26 0.00 -0.88 1.43 0.37 -5.03 118.68 115.54 1bx3 s LEU 834 Ca 0.66 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 1bx3 s LEU 834 Cb -0.22 -3.04 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1bx3 s LEU 834 CO 0.26 -0.05 0.19 -2.65 0.23 0.00 0.00 176.35 174.33