#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1su3 h LEU 33 N 0.00 0.39 -0.36 -2.12 6.46 -2.02 -3.02 115.31 114.64 1su3 h LEU 33 Ca 0.00 -0.11 0.07 0.00 -0.12 0.00 0.00 57.88 57.72 1su3 h LEU 33 Cb 0.00 -0.10 -0.06 0.00 -0.73 0.00 0.00 40.66 39.77 1su3 h LEU 33 CO 0.00 0.39 -0.05 0.58 -0.62 0.00 0.00 178.44 178.74 1su3 h VAL 34 N 0.36 0.68 -0.59 1.05 2.07 -1.99 -0.35 116.25 117.49 1su3 h VAL 34 Ca 0.11 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1su3 h VAL 34 Cb 0.10 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1su3 h VAL 34 CO -0.01 0.01 0.26 1.56 0.02 0.00 0.00 177.57 179.40 1su3 h GLN 35 N 0.04 0.86 -0.30 1.57 7.50 -2.00 -2.13 115.11 120.65 1su3 h GLN 35 Ca 0.17 -0.14 -0.01 0.00 0.50 0.00 0.00 58.65 59.17 1su3 h GLN 35 Cb 0.26 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.63 1su3 h GLN 35 CO -0.34 0.72 0.14 1.57 -1.50 0.00 0.00 178.83 179.42 1su3 h LYS 36 N 0.81 0.44 -0.40 1.46 2.10 -1.31 -1.72 116.57 117.95 1su3 h LYS 36 Ca 0.20 -0.07 0.01 0.00 -2.00 0.00 0.00 60.65 58.78 1su3 h LYS 36 Cb 0.16 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.39 1su3 h LYS 36 CO -0.02 0.43 0.26 -0.92 -2.00 0.00 0.00 179.45 177.20 1su3 h TYR 37 N 0.35 0.49 -0.17 0.07 3.20 -0.85 0.13 116.97 120.19 1su3 h TYR 37 Ca 0.10 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.82 1su3 h TYR 37 Cb 0.14 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1su3 h TYR 37 CO -0.01 0.31 -0.58 -0.07 -1.64 0.00 0.00 178.16 176.16 1su3 h LEU 38 N 0.53 0.62 -0.51 2.82 3.38 -1.37 0.80 115.31 121.58 1su3 h LEU 38 Ca 0.15 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1su3 h LEU 38 Cb -0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1su3 h LEU 38 CO -0.04 1.06 0.30 -0.33 0.09 0.00 0.00 178.44 179.52 1su3 h GLU 39 N 0.42 0.70 -0.11 1.13 5.08 -0.95 0.24 114.58 121.08 1su3 h GLU 39 Ca 0.00 -0.07 -0.22 0.00 -1.00 0.00 0.00 59.36 58.07 1su3 h GLU 39 Cb 1.13 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.25 1su3 h GLU 39 CO 0.11 0.52 -0.82 -0.22 -1.00 0.00 0.00 179.01 177.60 1su3 h LYS 40 N 0.68 0.70 0.00 2.33 3.64 -0.57 -3.34 116.57 120.00 1su3 h LYS 40 Ca 0.18 -0.60 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1su3 h LYS 40 Cb 0.01 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1su3 h LYS 40 CO -0.03 1.21 -1.19 0.66 -2.27 0.00 0.00 179.45 177.83 1su3 n TYR 41 N -3.90 0.00 -1.08 1.91 0.53 0.24 -4.45 117.16 110.41 1su3 n TYR 41 Ca -0.07 0.00 0.07 0.00 -1.02 0.00 0.00 57.90 56.88 1su3 n TYR 41 Cb 0.76 -0.10 0.10 0.00 -1.03 0.00 0.00 39.34 39.07 1su3 n TYR 41 CO 0.00 0.00 0.00 0.66 -1.02 0.00 0.00 176.86 176.50 1su3 n TYR 42 N -1.65 0.00 -3.80 -0.72 4.02 0.76 -1.20 117.16 114.57 1su3 n TYR 42 Ca -0.01 -0.77 -0.27 0.00 -0.01 0.00 0.00 57.90 56.85 1su3 n TYR 42 Cb 0.11 -0.12 0.04 0.00 -0.02 0.00 0.00 39.34 39.35 1su3 n TYR 42 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1su3 n ASN 43 N -1.08 -4.41 -4.62 7.72 4.05 -0.74 -4.90 115.26 111.29 1su3 n ASN 43 Ca 0.11 -0.74 -0.43 0.00 0.45 0.00 0.00 54.58 53.98 1su3 n ASN 43 Cb 0.60 -4.18 -0.02 0.00 1.23 0.00 0.00 39.78 37.41 1su3 n ASN 43 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1su3 s LEU 44 N -7.16 3.76 -0.17 1.20 2.96 -1.00 -4.99 118.68 113.28 1su3 s LEU 44 Ca 0.52 1.01 0.18 0.00 -0.22 0.00 0.00 54.13 55.62 1su3 s LEU 44 Cb -0.25 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.64 1su3 s LEU 44 CO 0.80 -1.22 0.16 0.29 -1.32 0.00 0.00 176.35 175.07 1su3 n LYS 45 N 7.62 0.68 -1.64 1.98 5.02 -1.26 -4.49 118.16 126.07 1su3 n LYS 45 Ca 0.15 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.98 1su3 n LYS 45 Cb 0.47 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 1su3 n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1su3 n GLY 58 N 1.69 0.60 0.30 0.72 0.00 -1.26 -5.03 105.19 102.21 1su3 n GLY 58 Ca -0.29 0.52 0.15 0.00 0.00 0.00 0.00 46.02 46.40 1su3 n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1su3 h PRO 59 N 4.12 0.00 -0.14 1.61 0.13 -2.05 -2.37 132.00 133.30 1su3 h PRO 59 Ca -0.45 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.52 1su3 h PRO 59 Cb 1.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 1su3 h PRO 59 CO 0.75 0.00 -0.55 0.28 -0.23 0.00 0.00 178.00 178.26 1su3 h VAL 60 N 0.00 1.33 -0.69 1.56 2.07 -1.99 -2.69 116.25 115.85 1su3 h VAL 60 Ca -0.00 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.71 1su3 h VAL 60 Cb 0.01 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 1su3 h VAL 60 CO 0.00 0.56 0.45 0.58 0.02 0.00 0.00 177.57 179.18 1su3 h VAL 61 N 0.29 1.18 -0.38 2.57 2.07 -1.71 0.37 116.25 120.64 1su3 h VAL 61 Ca -0.03 -0.35 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 1su3 h VAL 61 Cb 1.18 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1su3 h VAL 61 CO 0.12 0.18 -0.19 -0.33 0.02 0.00 0.00 177.57 177.36 1su3 h GLU 62 N 0.94 0.72 -0.37 1.57 3.07 -1.52 -1.62 114.58 117.37 1su3 h GLU 62 Ca 0.25 -0.27 -0.16 0.00 -0.50 0.00 0.00 59.36 58.68 1su3 h GLU 62 Cb -0.09 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 1su3 h GLU 62 CO -0.05 0.86 -0.40 0.87 -1.40 0.00 0.00 179.01 178.89 1su3 h LYS 63 N 0.64 0.92 -0.64 2.33 6.56 -1.14 -2.21 116.57 123.04 1su3 h LYS 63 Ca 0.10 -0.50 -0.06 0.00 -1.06 0.00 0.00 60.65 59.12 1su3 h LYS 63 Cb 0.68 0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 32.33 1su3 h LYS 63 CO 0.05 1.15 0.14 1.25 -2.06 0.00 0.00 179.45 179.98 1su3 h LEU 64 N 0.75 0.98 -0.72 2.94 5.85 -0.77 -0.60 115.31 123.74 1su3 h LEU 64 Ca 0.06 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1su3 h LEU 64 Cb 1.00 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 1su3 h LEU 64 CO 0.10 0.96 0.47 0.11 -0.34 0.00 0.00 178.44 179.74 1su3 h LYS 65 N 0.94 0.92 -0.57 1.25 1.57 -1.25 0.57 116.57 120.01 1su3 h LYS 65 Ca 0.20 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1su3 h LYS 65 Cb 0.38 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1su3 h LYS 65 CO 0.00 0.61 0.17 0.37 -0.57 0.00 0.00 179.45 180.03 1su3 h GLN 66 N 0.95 0.86 -0.18 3.15 4.15 -0.95 0.29 115.11 123.38 1su3 h GLN 66 Ca 0.27 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.48 1su3 h GLN 66 Cb -0.08 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 1su3 h GLN 66 CO -0.07 0.75 -0.06 1.98 -1.93 0.00 0.00 178.83 179.50 1su3 h MET 67 N 0.84 0.36 -0.63 1.69 4.05 -0.41 -1.56 114.93 119.27 1su3 h MET 67 Ca 0.19 -0.14 -0.05 0.00 -0.28 0.00 0.00 59.70 59.41 1su3 h MET 67 Cb 0.26 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.01 1su3 h MET 67 CO -0.01 0.64 0.19 1.96 0.23 0.00 0.00 176.91 179.92 1su3 h GLN 68 N 0.06 0.95 -0.15 0.39 4.20 -0.66 -1.80 115.11 118.10 1su3 h GLN 68 Ca 0.04 -0.19 0.01 0.00 0.06 0.00 0.00 58.65 58.57 1su3 h GLN 68 Cb 0.51 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1su3 h GLN 68 CO 0.02 0.83 0.08 1.49 -0.67 0.00 0.00 178.83 180.57 1su3 h GLU 69 N 0.92 0.16 -0.45 1.46 4.57 -0.86 0.14 114.58 120.53 1su3 h GLU 69 Ca 0.20 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.43 1su3 h GLU 69 Cb 0.28 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.78 1su3 h GLU 69 CO -0.01 0.10 0.16 0.35 -1.18 0.00 0.00 179.01 178.44 1su3 h PHE 70 N 0.16 0.29 -0.37 0.92 3.57 -0.60 -2.59 116.94 118.32 1su3 h PHE 70 Ca 0.06 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1su3 h PHE 70 Cb 0.01 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1su3 h PHE 70 CO -0.09 0.10 0.00 1.19 -2.23 0.00 0.00 178.31 177.28 1su3 n PHE 71 N -5.00 0.50 -1.47 0.41 3.01 -0.74 -4.73 117.46 109.43 1su3 n PHE 71 Ca 0.04 -0.25 -0.15 0.00 1.01 0.00 0.00 57.45 58.10 1su3 n PHE 71 Cb 0.17 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.58 1su3 n PHE 71 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1su3 n GLY 72 N 1.12 1.42 3.87 1.37 0.00 -0.79 -5.02 105.19 107.16 1su3 n GLY 72 Ca 0.13 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 1su3 n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1su3 s LEU 73 N -3.39 2.89 0.03 0.99 1.43 0.44 -4.39 118.68 116.67 1su3 s LEU 73 Ca 0.00 1.19 -0.30 0.00 -1.03 0.00 0.00 54.13 53.98 1su3 s LEU 73 Cb 0.00 -3.98 -0.08 0.00 0.03 0.00 0.00 46.19 42.16 1su3 s LEU 73 CO 0.00 -1.39 1.72 -0.54 0.23 0.00 0.00 176.35 176.37 1su3 s LYS 74 N -5.31 4.18 -0.72 1.70 -0.14 -1.11 -4.48 119.74 113.85 1su3 s LYS 74 Ca 0.58 2.35 -0.26 0.00 -1.36 0.00 0.00 55.97 57.28 1su3 s LYS 74 Cb -0.12 -3.82 0.04 0.00 -1.68 0.00 0.00 37.83 32.25 1su3 s LYS 74 CO 0.52 -0.81 1.22 0.08 -0.76 0.00 0.00 175.35 175.60 1su3 s VAL 75 N 3.41 3.83 0.00 3.17 1.01 -1.26 -4.73 120.40 125.82 1su3 s VAL 75 Ca 0.77 0.31 0.00 0.00 0.00 0.00 0.00 61.98 63.06 1su3 s VAL 75 Cb -0.39 -4.87 0.00 0.00 0.00 0.00 0.00 36.38 31.12 1su3 s VAL 75 CO 0.33 -1.77 0.00 1.07 0.00 0.00 0.00 175.10 174.73 1su3 n THR 76 N 6.32 0.00 -1.17 3.92 5.66 -1.26 -5.02 114.28 122.73 1su3 n THR 76 Ca 0.02 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.96 1su3 n THR 76 Cb 0.48 0.13 -0.02 0.00 -1.55 0.00 0.00 70.33 69.37 1su3 n THR 76 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1su3 n GLY 77 N 2.56 0.80 3.20 1.09 0.00 -1.26 -4.96 105.19 106.62 1su3 n GLY 77 Ca 0.00 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 1su3 n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1su3 s LYS 78 N -2.16 1.42 -1.29 1.61 0.00 -1.26 -4.70 119.74 113.36 1su3 s LYS 78 Ca 0.00 -0.75 -0.17 0.00 0.00 0.00 0.00 55.97 55.05 1su3 s LYS 78 Cb 0.00 -1.43 0.09 0.00 0.00 0.00 0.00 37.83 36.50 1su3 s LYS 78 CO 0.00 0.38 1.69 -0.35 0.00 0.00 0.00 175.35 177.07 1su3 n PRO 79 N 2.34 3.23 -1.49 1.78 -0.04 -1.26 -4.98 135.00 134.58 1su3 n PRO 79 Ca -0.16 -3.39 -0.29 0.00 -0.04 0.00 0.00 63.50 59.62 1su3 n PRO 79 Cb 0.54 -3.37 0.16 0.00 -0.04 0.00 0.00 33.50 30.78 1su3 n PRO 79 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1su3 s ASP 80 N 3.80 3.02 0.42 3.54 1.47 -1.26 -4.82 116.67 122.85 1su3 s ASP 80 Ca 0.51 0.85 0.14 0.00 1.18 0.00 0.00 52.55 55.22 1su3 s ASP 80 Cb 0.03 -1.32 0.89 0.00 -0.34 0.00 0.00 42.92 42.17 1su3 s ASP 80 CO 0.05 -2.84 1.93 0.00 0.68 0.00 0.00 175.17 174.99 1su3 h ALA 81 N -1.70 1.58 -0.02 2.11 0.00 -2.00 -2.25 119.26 116.98 1su3 h ALA 81 Ca -0.49 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.13 1su3 h ALA 81 Cb 1.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1su3 h ALA 81 CO 0.55 0.32 -0.20 1.49 0.00 0.00 0.00 179.25 181.41 1su3 h GLU 82 N 0.01 0.18 -0.68 0.00 4.57 -1.97 -2.34 114.58 114.36 1su3 h GLU 82 Ca -0.00 -0.16 0.15 0.00 -1.18 0.00 0.00 59.36 58.17 1su3 h GLU 82 Cb 0.45 0.04 -0.12 0.00 -0.16 0.00 0.00 28.75 28.96 1su3 h GLU 82 CO 0.03 0.84 -0.03 1.15 -1.18 0.00 0.00 179.01 179.83 1su3 h THR 83 N -0.43 0.41 -0.37 0.32 2.02 -1.84 -0.49 112.91 112.51 1su3 h THR 83 Ca -0.02 -0.03 -0.09 0.00 0.77 0.00 0.00 66.41 67.04 1su3 h THR 83 Cb 0.89 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1su3 h THR 83 CO 0.04 0.02 -0.12 -0.07 0.37 0.00 0.00 175.52 175.75 1su3 h LEU 84 N 0.09 0.65 -0.30 2.58 3.38 -1.44 -1.48 115.31 118.79 1su3 h LEU 84 Ca 0.36 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.18 1su3 h LEU 84 Cb 0.59 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1su3 h LEU 84 CO -0.61 0.80 0.09 0.50 0.09 0.00 0.00 178.44 179.31 1su3 h LYS 85 N 0.60 0.20 -0.75 1.13 3.64 -0.63 -2.10 116.57 118.66 1su3 h LYS 85 Ca 0.10 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1su3 h LYS 85 Cb 0.56 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1su3 h LYS 85 CO 0.04 0.13 0.35 0.28 -2.27 0.00 0.00 179.45 177.98 1su3 h VAL 86 N 0.21 1.24 0.00 2.00 2.07 -0.75 -2.25 116.25 118.77 1su3 h VAL 86 Ca 0.14 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1su3 h VAL 86 Cb 0.12 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1su3 h VAL 86 CO -0.16 0.29 -0.09 0.24 0.02 0.00 0.00 177.57 177.87 1su3 h MET 87 N 1.05 0.00 -0.01 1.57 2.86 -0.98 -1.35 114.93 118.07 1su3 h MET 87 Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1su3 h MET 87 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1su3 h MET 87 CO -0.03 0.09 -0.07 1.63 1.06 0.00 0.00 176.91 179.59 1su3 n LYS 88 N -3.36 1.19 -2.51 1.72 5.02 -0.82 -4.92 118.16 114.49 1su3 n LYS 88 Ca -0.01 -0.55 -0.41 0.00 -2.02 0.00 0.00 58.31 55.31 1su3 n LYS 88 Cb 0.26 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.75 1su3 n LYS 88 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1su3 s GLN 89 N -2.19 4.54 0.35 1.97 -0.21 -0.51 -4.83 119.66 118.78 1su3 s GLN 89 Ca 0.36 1.70 -0.28 0.00 0.02 0.00 0.00 55.36 57.16 1su3 s GLN 89 Cb 0.21 -3.32 -0.12 0.00 1.00 0.00 0.00 33.01 30.78 1su3 s GLN 89 CO 0.40 -0.04 1.35 -0.35 -2.12 0.00 0.00 175.29 174.54 1su3 n PRO 90 N 3.01 2.28 -3.82 2.91 -0.04 -1.26 -4.82 135.00 133.26 1su3 n PRO 90 Ca 0.05 0.80 -0.08 0.00 -0.04 0.00 0.00 63.50 64.23 1su3 n PRO 90 Cb 0.47 -2.43 0.02 0.00 -0.04 0.00 0.00 33.50 31.52 1su3 n PRO 90 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1su3 s ARG 91 N -1.88 2.13 0.27 0.54 1.04 -0.14 -1.47 118.95 119.43 1su3 s ARG 91 Ca 0.55 -1.35 -0.29 0.00 -1.04 0.00 0.00 55.73 53.60 1su3 s ARG 91 Cb -0.54 0.61 -0.09 0.00 -2.04 0.00 0.00 34.95 32.88 1su3 s ARG 91 CO 0.62 -0.99 1.12 0.00 -0.04 0.00 0.00 175.30 176.01 1su3 n GLY 93 N 1.33 -0.98 3.73 0.00 0.00 0.42 -4.78 105.19 104.91 1su3 n GLY 93 Ca -0.00 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1su3 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1su3 s VAL 94 N -2.76 4.20 0.89 1.61 1.01 -1.26 -4.98 120.40 119.10 1su3 s VAL 94 Ca 0.13 1.86 -0.11 0.00 0.00 0.00 0.00 61.98 63.87 1su3 s VAL 94 Cb 0.12 -4.19 0.13 0.00 0.00 0.00 0.00 36.38 32.44 1su3 s VAL 94 CO 0.30 0.31 1.14 -2.65 0.00 0.00 0.00 175.10 174.19 1su3 n PRO 95 N 2.57 -0.29 0.11 2.72 -0.02 -1.26 -4.95 135.00 133.86 1su3 n PRO 95 Ca 0.02 -0.01 0.12 0.00 -2.02 0.00 0.00 63.50 61.61 1su3 n PRO 95 Cb 0.48 -2.38 0.07 0.00 -0.02 0.00 0.00 33.50 31.65 1su3 n PRO 95 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1su3 h ASP 96 N -1.64 0.00 -2.41 2.55 3.32 -1.49 -3.45 116.42 113.30 1su3 h ASP 96 Ca -0.44 -0.06 -0.59 0.00 0.02 0.00 0.00 57.03 55.96 1su3 h ASP 96 Cb 1.28 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.71 1su3 h ASP 96 CO 0.42 0.03 -0.70 0.68 -1.72 0.00 0.00 179.24 177.96 1su3 s VAL 97 N -3.29 3.13 0.77 -1.35 -7.23 -1.22 -4.79 120.40 106.41 1su3 s VAL 97 Ca 0.02 -1.98 -0.13 0.00 -1.81 0.00 0.00 61.98 58.08 1su3 s VAL 97 Cb 0.10 -2.63 0.06 0.00 0.56 0.00 0.00 36.38 34.47 1su3 s VAL 97 CO 0.76 -0.31 1.15 0.00 -0.31 0.00 0.00 175.10 176.38 1su3 s ALA 98 N -2.21 2.07 0.00 1.32 0.00 -1.26 -4.95 121.76 116.73 1su3 s ALA 98 Ca 0.29 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1su3 s ALA 98 Cb -0.07 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1su3 s ALA 98 CO 0.17 -1.93 0.00 -0.35 0.00 0.00 0.00 175.76 173.65 1su3 n PRO 107 N -3.17 0.00 -3.63 0.00 -0.04 -1.26 -5.00 135.00 121.90 1su3 n PRO 107 Ca 0.12 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.47 1su3 n PRO 107 Cb 0.52 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.91 1su3 n PRO 107 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1su3 s ARG 108 N -0.17 0.61 0.28 0.54 3.52 -1.26 -4.69 118.95 117.78 1su3 s ARG 108 Ca 0.00 0.72 -0.29 0.00 -0.13 0.00 0.00 55.73 56.03 1su3 s ARG 108 Cb 0.00 0.30 -0.10 0.00 -1.56 0.00 0.00 34.95 33.59 1su3 s ARG 108 CO 0.00 -0.07 1.33 -1.58 -0.81 0.00 0.00 175.30 174.17 1su3 s TRP 109 N 0.26 3.12 0.04 5.12 0.52 -1.26 -4.88 118.94 121.85 1su3 s TRP 109 Ca 0.02 1.28 -0.24 0.00 0.02 0.00 0.00 56.10 57.19 1su3 s TRP 109 Cb -0.05 -3.68 -0.16 0.00 -1.15 0.00 0.00 33.47 28.43 1su3 s TRP 109 CO -0.04 -2.01 1.51 1.05 0.02 0.00 0.00 176.95 177.49 1su3 h GLU 110 N 4.30 0.07 -7.16 4.98 4.11 -2.00 -3.44 114.58 115.43 1su3 h GLU 110 Ca -0.47 -0.02 -0.49 0.00 0.07 0.00 0.00 59.36 58.45 1su3 h GLU 110 Cb 1.22 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 30.49 1su3 h GLU 110 CO 0.71 0.30 0.33 -0.65 0.07 0.00 0.00 179.01 179.77 1su3 s GLN 111 N -5.20 3.80 -0.00 1.06 -1.52 -1.26 -4.99 119.66 111.54 1su3 s GLN 111 Ca -0.14 0.77 0.20 0.00 -1.95 0.00 0.00 55.36 54.23 1su3 s GLN 111 Cb 0.04 -2.18 -0.22 0.00 -0.22 0.00 0.00 33.01 30.43 1su3 s GLN 111 CO 0.68 -0.31 0.81 0.25 -0.25 0.00 0.00 175.29 176.47 1su3 n THR 112 N -1.91 0.00 -3.62 -0.19 -2.24 -1.26 -4.84 114.28 100.22 1su3 n THR 112 Ca 0.05 -0.07 -0.39 0.00 -2.27 0.00 0.00 64.05 61.37 1su3 n THR 112 Cb 0.54 0.92 -0.11 0.00 -2.10 0.00 0.00 70.33 69.57 1su3 n THR 112 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1su3 s HIS 113 N -2.92 3.21 0.20 4.78 3.76 -1.26 -0.97 115.29 122.08 1su3 s HIS 113 Ca 0.06 -0.66 0.10 0.00 -0.15 0.00 0.00 55.06 54.41 1su3 s HIS 113 Cb 0.15 -2.40 -0.04 0.00 1.11 0.00 0.00 32.58 31.39 1su3 s HIS 113 CO 0.82 -0.51 -0.20 -0.51 -0.85 0.00 0.00 174.74 173.48 1su3 s LEU 114 N 1.61 2.47 0.21 0.89 1.43 -0.42 -4.99 118.68 119.88 1su3 s LEU 114 Ca 0.04 -0.91 0.09 0.00 -1.03 0.00 0.00 54.13 52.32 1su3 s LEU 114 Cb -0.18 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 1su3 s LEU 114 CO 0.07 0.03 -0.07 0.42 0.23 0.00 0.00 176.35 177.02 1su3 s THR 115 N -2.07 3.23 0.05 5.49 -4.23 -1.26 -1.29 115.64 115.57 1su3 s THR 115 Ca 0.21 -1.76 -0.03 0.00 -1.18 0.00 0.00 61.69 58.93 1su3 s THR 115 Cb -0.06 -2.64 -0.03 0.00 1.34 0.00 0.00 72.50 71.11 1su3 s THR 115 CO 0.09 -0.20 0.02 -0.72 -0.54 0.00 0.00 174.62 173.28 1su3 s TYR 116 N -1.92 0.38 -0.02 3.99 -0.85 -0.61 -1.97 117.35 116.35 1su3 s TYR 116 Ca 0.27 -0.84 -0.00 0.00 -0.52 0.00 0.00 57.07 55.97 1su3 s TYR 116 Cb -0.08 -0.28 0.02 0.00 0.38 0.00 0.00 41.96 42.00 1su3 s TYR 116 CO 0.17 -0.38 0.04 0.50 -1.52 0.00 0.00 175.55 174.36 1su3 s ARG 117 N -3.39 -0.01 -0.52 -3.49 3.52 -0.85 -0.66 118.95 113.56 1su3 s ARG 117 Ca 0.02 0.17 -0.21 0.00 -0.13 0.00 0.00 55.73 55.57 1su3 s ARG 117 Cb 0.04 -0.17 0.05 0.00 -1.56 0.00 0.00 34.95 33.31 1su3 s ARG 117 CO -0.08 -0.12 0.76 0.42 -0.81 0.00 0.00 175.30 175.46 1su3 s ILE 118 N 0.80 4.67 0.15 4.11 1.01 -1.26 -0.67 121.20 130.00 1su3 s ILE 118 Ca -0.07 -0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.38 1su3 s ILE 118 Cb -0.09 -4.39 -0.05 0.00 0.01 0.00 0.00 42.46 37.94 1su3 s ILE 118 CO -0.02 -0.91 1.47 -0.33 0.00 0.00 0.00 174.94 175.14 1su3 h GLU 119 N 9.11 0.88 -4.09 2.79 5.08 -0.90 -3.47 114.58 123.99 1su3 h GLU 119 Ca -0.27 -0.50 -0.22 0.00 -1.00 0.00 0.00 59.36 57.38 1su3 h GLU 119 Cb 1.09 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.28 1su3 h GLU 119 CO 1.01 1.14 -0.24 0.54 -1.00 0.00 0.00 179.01 180.46 1su3 s ASN 120 N -6.88 0.59 -0.02 1.42 4.22 -1.26 -5.07 114.94 107.95 1su3 s ASN 120 Ca -0.10 -1.34 0.04 0.00 -2.14 0.00 0.00 52.86 49.31 1su3 s ASN 120 Cb 0.11 0.61 -0.01 0.00 1.28 0.00 0.00 41.25 43.24 1su3 s ASN 120 CO 0.88 -1.19 -0.12 -0.31 -2.04 0.00 0.00 177.10 174.31 1su3 s TYR 121 N -3.44 1.17 0.21 1.54 1.51 -1.26 -4.45 117.35 112.63 1su3 s TYR 121 Ca 0.30 -0.26 -0.30 0.00 -1.01 0.00 0.00 57.07 55.80 1su3 s TYR 121 Cb 0.01 -0.78 -0.09 0.00 -0.11 0.00 0.00 41.96 40.99 1su3 s TYR 121 CO 0.17 -0.06 1.27 -0.08 -1.11 0.00 0.00 175.55 175.73 1su3 s THR 122 N -0.12 3.27 -1.20 -0.71 -1.32 -1.26 -4.90 115.64 109.41 1su3 s THR 122 Ca 0.02 1.08 0.13 0.00 -1.21 0.00 0.00 61.69 61.70 1su3 s THR 122 Cb -0.07 -3.69 0.16 0.00 -1.51 0.00 0.00 72.50 67.39 1su3 s THR 122 CO 0.00 0.18 1.36 -0.81 -2.21 0.00 0.00 174.62 173.14 1su3 n PRO 123 N 2.37 0.08 0.24 7.08 -0.04 -1.26 -3.26 135.00 140.21 1su3 n PRO 123 Ca 0.05 0.23 0.08 0.00 -0.04 0.00 0.00 63.50 63.82 1su3 n PRO 123 Cb 0.43 -1.50 0.58 0.00 -0.04 0.00 0.00 33.50 32.97 1su3 n PRO 123 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1su3 h ASP 124 N 0.00 0.00 -4.64 3.54 5.19 -1.90 -3.44 116.42 115.17 1su3 h ASP 124 Ca 0.00 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.15 1su3 h ASP 124 Cb 0.17 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 39.50 1su3 h ASP 124 CO 0.00 0.16 -0.72 -0.76 -3.12 0.00 0.00 179.24 174.80 1su3 s LEU 125 N -8.28 2.39 0.61 1.55 1.43 -1.20 -4.92 118.68 110.25 1su3 s LEU 125 Ca -0.04 -0.79 -0.18 0.00 -1.03 0.00 0.00 54.13 52.09 1su3 s LEU 125 Cb 0.15 -0.15 -0.04 0.00 0.03 0.00 0.00 46.19 46.19 1su3 s LEU 125 CO 0.66 -0.33 1.06 -2.65 0.23 0.00 0.00 176.35 175.33 1su3 n PRO 126 N 0.67 0.98 -0.27 1.29 -0.02 -1.26 -4.83 135.00 131.56 1su3 n PRO 126 Ca -0.17 0.38 0.02 0.00 -2.02 0.00 0.00 63.50 61.71 1su3 n PRO 126 Cb 0.58 -2.27 0.23 0.00 -0.02 0.00 0.00 33.50 32.02 1su3 n PRO 126 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1su3 h ARG 127 N 0.54 1.02 -0.49 -0.52 3.08 -1.98 -1.79 114.38 114.24 1su3 h ARG 127 Ca -0.49 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.48 1su3 h ARG 127 Cb 1.36 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 1su3 h ARG 127 CO 0.52 0.68 0.22 0.00 -1.07 0.00 0.00 179.97 180.31 1su3 h ALA 128 N 1.51 1.48 -0.06 0.04 0.00 -1.99 -0.76 119.26 119.47 1su3 h ALA 128 Ca 0.34 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 1su3 h ALA 128 Cb 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1su3 h ALA 128 CO -0.10 0.41 -0.64 -0.44 0.00 0.00 0.00 179.25 178.48 1su3 h ASP 129 N 0.69 0.26 -0.04 0.00 5.19 -1.69 -1.74 116.42 119.09 1su3 h ASP 129 Ca 0.17 -0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1su3 h ASP 129 Cb 0.09 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.52 1su3 h ASP 129 CO -0.02 0.83 0.01 0.58 -3.12 0.00 0.00 179.24 177.52 1su3 h VAL 130 N 0.16 1.22 -0.64 -1.35 2.07 -1.00 -0.97 116.25 115.74 1su3 h VAL 130 Ca -0.01 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 66.88 1su3 h VAL 130 Cb 1.16 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 32.48 1su3 h VAL 130 CO 0.10 0.18 0.37 0.44 0.02 0.00 0.00 177.57 178.68 1su3 h ASP 131 N -0.19 0.58 -0.48 0.57 3.32 -1.13 -1.96 116.42 117.13 1su3 h ASP 131 Ca 0.01 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1su3 h ASP 131 Cb 0.29 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1su3 h ASP 131 CO 0.00 0.39 0.02 -0.74 -1.72 0.00 0.00 179.24 177.18 1su3 h HIS 132 N 0.71 0.91 -0.76 4.55 2.76 -1.26 0.28 115.15 122.33 1su3 h HIS 132 Ca 0.27 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1su3 h HIS 132 Cb 0.11 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 28.80 1su3 h HIS 132 CO -0.07 0.86 0.48 0.00 -1.30 0.00 0.00 177.93 177.90 1su3 h ALA 133 N 0.93 0.96 -0.00 5.26 0.00 -0.71 0.78 119.26 126.49 1su3 h ALA 133 Ca 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1su3 h ALA 133 Cb 0.48 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1su3 h ALA 133 CO 0.02 0.40 -0.07 0.82 0.00 0.00 0.00 179.25 180.42 1su3 h ILE 134 N 1.03 1.59 -0.46 0.00 1.08 -1.31 -2.17 117.51 117.27 1su3 h ILE 134 Ca 0.28 -1.83 0.09 0.00 -0.39 0.00 0.00 64.86 63.01 1su3 h ILE 134 Cb -0.08 2.80 -0.09 0.00 -3.07 0.00 0.00 36.82 36.38 1su3 h ILE 134 CO -0.06 0.48 -0.10 -0.08 -0.69 0.00 0.00 178.15 177.71 1su3 h GLU 135 N -0.68 0.02 -0.36 2.37 4.22 -0.84 -0.70 114.58 118.62 1su3 h GLU 135 Ca -0.01 -0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.38 1su3 h GLU 135 Cb 0.83 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1su3 h GLU 135 CO 0.01 0.01 0.01 -0.22 -2.18 0.00 0.00 179.01 176.64 1su3 h LYS 136 N 0.02 0.55 -0.21 1.92 3.64 -0.87 -1.50 116.57 120.13 1su3 h LYS 136 Ca 0.23 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1su3 h LYS 136 Cb 0.34 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1su3 h LYS 136 CO -0.46 0.57 0.02 0.00 -2.27 0.00 0.00 179.45 177.31 1su3 h ALA 137 N 1.48 0.27 -0.81 5.00 0.00 -0.61 -2.31 119.26 122.29 1su3 h ALA 137 Ca 0.11 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1su3 h ALA 137 Cb 0.33 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1su3 h ALA 137 CO 0.01 -0.04 0.53 0.74 0.00 0.00 0.00 179.25 180.49 1su3 h PHE 138 N 0.13 0.96 -0.73 0.00 0.04 -0.89 -2.50 116.94 113.95 1su3 h PHE 138 Ca 0.06 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 1su3 h PHE 138 Cb 0.34 -0.32 -0.04 0.00 2.20 0.00 0.00 35.95 38.13 1su3 h PHE 138 CO 0.02 0.56 0.42 0.37 -0.60 0.00 0.00 178.31 179.09 1su3 h GLN 139 N 1.00 0.99 -0.69 1.51 -0.00 -1.01 -1.15 115.11 115.76 1su3 h GLN 139 Ca 0.32 -0.10 0.08 0.00 -0.00 0.00 0.00 58.65 58.95 1su3 h GLN 139 Cb 0.04 -0.21 -0.06 0.00 0.00 0.00 0.00 27.48 27.25 1su3 h GLN 139 CO -0.09 0.71 0.36 -0.07 0.00 0.00 0.00 178.83 179.74 1su3 h LEU 140 N 1.01 0.51 0.01 -2.39 3.38 -0.94 -0.37 115.31 116.51 1su3 h LEU 140 Ca 0.26 0.05 -0.26 0.00 0.09 0.00 0.00 57.88 58.02 1su3 h LEU 140 Cb -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1su3 h LEU 140 CO -0.05 0.31 -1.13 -0.50 0.09 0.00 0.00 178.44 177.16 1su3 h TRP 141 N 0.65 0.53 0.00 1.13 4.06 -1.50 -3.21 115.95 117.61 1su3 h TRP 141 Ca 0.33 -0.35 -0.05 0.00 2.06 0.00 0.00 58.89 60.88 1su3 h TRP 141 Cb 0.28 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.40 1su3 h TRP 141 CO -0.09 1.23 -0.24 0.66 -3.56 0.00 0.00 178.44 176.44 1su3 h SER 142 N 0.13 0.00 -0.16 -3.49 4.64 -1.04 -3.05 113.55 110.57 1su3 h SER 142 Ca -0.11 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.18 1su3 h SER 142 Cb 1.82 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.90 1su3 h SER 142 CO 0.19 0.24 0.03 0.78 -0.87 0.00 0.00 176.83 177.20 1su3 h ASN 143 N 0.00 0.33 -0.24 4.97 2.35 -1.06 -3.21 115.58 118.72 1su3 h ASN 143 Ca -0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1su3 h ASN 143 Cb 0.76 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1su3 h ASN 143 CO 0.03 0.37 0.00 1.33 -1.65 0.00 0.00 177.43 177.51 1su3 n VAL 144 N -4.36 0.77 -4.25 2.81 0.24 -1.16 -4.76 118.33 107.61 1su3 n VAL 144 Ca 0.01 -0.89 -0.17 0.00 -2.04 0.00 0.00 64.34 61.25 1su3 n VAL 144 Cb 0.18 0.66 -0.09 0.00 -1.47 0.00 0.00 33.84 33.12 1su3 n VAL 144 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1su3 s THR 145 N -0.96 0.01 -2.10 3.34 -4.23 -1.19 -3.06 115.64 107.44 1su3 s THR 145 Ca 0.18 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.96 1su3 s THR 145 Cb 0.10 -2.50 0.71 0.00 1.34 0.00 0.00 72.50 72.15 1su3 s THR 145 CO 0.13 0.00 1.96 -0.81 -0.54 0.00 0.00 174.62 175.36 1su3 n PRO 146 N -0.49 1.17 -1.92 3.99 -0.04 -1.25 -4.25 135.00 132.20 1su3 n PRO 146 Ca 0.05 -0.25 -0.41 0.00 -0.04 0.00 0.00 63.50 62.85 1su3 n PRO 146 Cb 0.64 -1.43 -0.01 0.00 -0.04 0.00 0.00 33.50 32.65 1su3 n PRO 146 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1su3 s LEU 147 N -1.85 4.36 0.13 1.53 1.43 -1.26 -4.83 118.68 118.19 1su3 s LEU 147 Ca 0.40 2.86 0.06 0.00 -1.03 0.00 0.00 54.13 56.42 1su3 s LEU 147 Cb 0.19 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 1su3 s LEU 147 CO 0.31 -0.76 -0.13 0.42 0.23 0.00 0.00 176.35 176.42 1su3 s THR 148 N -0.71 1.30 -0.03 5.49 -4.23 -0.14 -4.50 115.64 112.82 1su3 s THR 148 Ca 0.55 -1.77 0.01 0.00 -1.18 0.00 0.00 61.69 59.30 1su3 s THR 148 Cb -0.44 -1.57 0.02 0.00 1.34 0.00 0.00 72.50 71.84 1su3 s THR 148 CO 0.54 -0.47 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.75 1su3 s PHE 149 N -2.33 0.60 -0.13 3.99 0.08 -1.26 -1.31 117.98 117.62 1su3 s PHE 149 Ca 0.10 -0.13 0.03 0.00 0.12 0.00 0.00 56.93 57.05 1su3 s PHE 149 Cb -0.04 -0.52 0.01 0.00 -0.57 0.00 0.00 43.02 41.90 1su3 s PHE 149 CO 0.03 -0.13 -0.22 0.99 -0.10 0.00 0.00 175.22 175.79 1su3 s THR 150 N 0.64 2.01 0.07 0.64 2.01 -0.41 -4.98 115.64 115.62 1su3 s THR 150 Ca -0.08 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 60.66 1su3 s THR 150 Cb -0.11 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 1su3 s THR 150 CO -0.00 0.54 1.10 -0.75 -0.69 0.00 0.00 174.62 174.82 1su3 s LYS 151 N 0.70 4.52 0.03 4.92 2.20 -1.26 -1.57 119.74 129.28 1su3 s LYS 151 Ca -0.10 1.64 0.08 0.00 -0.36 0.00 0.00 55.97 57.23 1su3 s LYS 151 Cb -0.16 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.76 1su3 s LYS 151 CO 0.01 -0.10 -0.23 0.08 -0.36 0.00 0.00 175.35 174.75 1su3 s VAL 152 N 0.70 2.42 -1.75 4.02 1.01 0.17 -4.93 120.40 122.04 1su3 s VAL 152 Ca 0.54 -1.26 0.15 0.00 0.00 0.00 0.00 61.98 61.42 1su3 s VAL 152 Cb -0.27 -1.96 0.19 0.00 0.00 0.00 0.00 36.38 34.34 1su3 s VAL 152 CO 0.30 0.39 1.07 -1.20 0.00 0.00 0.00 175.10 175.66 1su3 n SER 153 N 1.78 2.51 -3.63 3.32 7.64 -1.26 -4.37 113.62 119.61 1su3 n SER 153 Ca -0.17 -1.72 -0.08 0.00 1.01 0.00 0.00 58.87 57.91 1su3 n SER 153 Cb 0.52 -0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.62 1su3 n SER 153 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1su3 s GLU 154 N -1.20 1.32 0.33 1.43 2.56 -1.26 -5.08 118.70 116.79 1su3 s GLU 154 Ca 0.21 -0.63 0.00 0.00 0.00 0.00 0.00 54.97 54.55 1su3 s GLU 154 Cb 0.14 0.52 0.00 0.00 2.00 0.00 0.00 34.13 36.78 1su3 s GLU 154 CO 0.20 -0.59 0.00 0.41 -0.56 0.00 0.00 175.26 174.71 1su3 n GLY 155 N -0.40 -2.47 3.44 -1.50 0.00 -1.26 -4.86 105.19 98.14 1su3 n GLY 155 Ca -0.09 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 43.82 1su3 n GLY 155 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1su3 s GLN 156 N -0.44 3.45 0.45 1.61 -1.52 -1.26 -5.01 119.66 116.94 1su3 s GLN 156 Ca 0.00 -0.63 0.08 0.00 -1.95 0.00 0.00 55.36 52.86 1su3 s GLN 156 Cb 0.00 -3.45 0.02 0.00 -0.22 0.00 0.00 33.01 29.36 1su3 s GLN 156 CO 0.00 -0.32 0.61 0.00 -0.25 0.00 0.00 175.29 175.32 1su3 s ALA 157 N 1.61 4.50 0.17 6.09 0.00 -1.26 -5.02 121.76 127.84 1su3 s ALA 157 Ca 0.05 -1.70 -0.15 0.00 0.00 0.00 0.00 51.96 50.17 1su3 s ALA 157 Cb -0.16 -1.65 0.05 0.00 0.00 0.00 0.00 23.12 21.36 1su3 s ALA 157 CO 0.05 -0.38 1.83 -0.44 0.00 0.00 0.00 175.76 176.82 1su3 h ASP 158 N 0.55 0.54 -3.79 0.00 3.32 -1.82 -3.40 116.42 111.82 1su3 h ASP 158 Ca -0.39 -0.01 -0.66 0.00 0.02 0.00 0.00 57.03 55.99 1su3 h ASP 158 Cb 1.28 -0.13 -0.38 0.00 0.22 0.00 0.00 39.33 40.32 1su3 h ASP 158 CO 0.45 0.39 -0.78 -0.63 -1.72 0.00 0.00 179.24 176.95 1su3 s ILE 159 N -6.16 2.09 -0.21 0.35 1.01 -0.83 -4.32 121.20 113.13 1su3 s ILE 159 Ca -0.13 -1.75 -0.13 0.00 0.00 0.00 0.00 60.65 58.64 1su3 s ILE 159 Cb 0.12 -2.31 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 1su3 s ILE 159 CO 0.74 -0.18 0.26 -0.04 0.00 0.00 0.00 174.94 175.72 1su3 s MET 160 N 1.10 4.15 -0.15 2.79 -1.94 -1.26 -2.01 119.30 121.98 1su3 s MET 160 Ca -0.04 -0.04 -0.03 0.00 -1.71 0.00 0.00 55.69 53.87 1su3 s MET 160 Cb -0.20 -3.51 -0.03 0.00 2.01 0.00 0.00 34.83 33.10 1su3 s MET 160 CO -0.06 0.07 -0.05 0.42 -0.01 0.00 0.00 175.02 175.39 1su3 s ILE 161 N 1.01 3.83 0.12 2.53 1.01 0.16 -1.88 121.20 127.98 1su3 s ILE 161 Ca 0.13 -0.39 -0.07 0.00 0.00 0.00 0.00 60.65 60.33 1su3 s ILE 161 Cb -0.14 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.66 1su3 s ILE 161 CO 0.05 0.50 0.19 -0.94 0.00 0.00 0.00 174.94 174.74 1su3 s SER 162 N 0.26 0.15 -0.16 3.58 1.04 -0.90 -0.11 113.70 117.56 1su3 s SER 162 Ca -0.04 -0.87 -0.01 0.00 0.48 0.00 0.00 55.95 55.51 1su3 s SER 162 Cb -0.14 0.36 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 1su3 s SER 162 CO 0.03 -0.79 -0.10 -0.36 0.98 0.00 0.00 173.24 173.00 1su3 s PHE 163 N -3.94 2.87 0.06 5.02 0.40 -1.26 -1.48 117.98 119.64 1su3 s PHE 163 Ca 0.14 -0.76 -0.04 0.00 -0.60 0.00 0.00 56.93 55.67 1su3 s PHE 163 Cb 0.05 -1.93 -0.02 0.00 0.51 0.00 0.00 43.02 41.63 1su3 s PHE 163 CO -0.04 -0.33 0.05 0.14 0.70 0.00 0.00 175.22 175.75 1su3 s VAL 164 N 0.72 0.18 0.05 -0.44 -7.23 -0.19 -4.82 120.40 108.66 1su3 s VAL 164 Ca -0.05 -1.45 0.08 0.00 -1.81 0.00 0.00 61.98 58.76 1su3 s VAL 164 Cb -0.15 -1.27 -0.03 0.00 0.56 0.00 0.00 36.38 35.48 1su3 s VAL 164 CO 0.02 -0.80 -0.22 -0.13 -0.31 0.00 0.00 175.10 173.66 1su3 s ARG 165 N -3.50 1.90 0.16 4.82 0.52 -1.26 -0.40 118.95 121.18 1su3 s ARG 165 Ca 0.03 -1.07 0.00 0.00 -0.52 0.00 0.00 55.73 54.17 1su3 s ARG 165 Cb 0.04 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.44 1su3 s ARG 165 CO -0.09 0.52 0.00 0.41 0.02 0.00 0.00 175.30 176.16 1su3 n GLY 166 N 1.59 2.49 3.69 -3.53 0.00 -1.26 -4.18 105.19 104.00 1su3 n GLY 166 Ca -0.17 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1su3 n GLY 166 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1su3 s ASP 167 N -4.00 6.71 0.00 1.61 1.01 -1.26 -1.23 116.67 119.50 1su3 s ASP 167 Ca 0.00 2.36 0.00 0.00 0.71 0.00 0.00 52.55 55.62 1su3 s ASP 167 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1su3 s ASP 167 CO 0.00 -0.80 0.88 0.00 0.21 0.00 0.00 175.17 175.46 1su3 n HIS 168 N 5.19 0.00 -1.42 4.23 1.44 -1.26 -5.00 115.22 118.39 1su3 n HIS 168 Ca 0.14 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.85 1su3 n HIS 168 Cb 0.42 0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.55 1su3 n HIS 168 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 1su3 n ARG 169 N 0.00 0.00 -0.31 -1.40 0.00 -1.26 -4.96 116.66 108.73 1su3 n ARG 169 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.87 1su3 n ARG 169 Cb 0.65 -2.41 0.03 0.00 -0.00 0.00 0.00 32.46 30.73 1su3 n ARG 169 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1su3 n ASP 170 N 1.38 0.53 0.00 2.89 5.75 -1.26 -5.01 116.55 120.83 1su3 n ASP 170 Ca 0.00 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 1su3 n ASP 170 Cb 0.35 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 1su3 n ASP 170 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1su3 n ASN 171 N -0.29 0.00 -3.74 -1.12 3.02 -1.26 -4.94 115.26 106.92 1su3 n ASN 171 Ca 0.03 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.30 1su3 n ASN 171 Cb 0.63 -0.41 -0.12 0.00 -0.61 0.00 0.00 39.78 39.27 1su3 n ASN 171 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1su3 s SER 172 N -2.95 3.72 0.40 6.41 0.01 -1.26 -5.11 113.70 114.92 1su3 s SER 172 Ca 0.00 -3.27 -0.25 0.00 1.31 0.00 0.00 55.95 53.74 1su3 s SER 172 Cb 0.00 -1.21 -0.09 0.00 0.21 0.00 0.00 66.02 64.93 1su3 s SER 172 CO 0.00 -0.17 1.11 -2.16 0.41 0.00 0.00 173.24 172.44 1su3 s PRO 173 N -0.53 4.08 1.02 12.44 0.04 -1.26 -4.84 135.00 145.95 1su3 s PRO 173 Ca 0.24 1.69 -0.17 0.00 0.04 0.00 0.00 61.00 62.80 1su3 s PRO 173 Cb -0.10 -2.60 0.22 0.00 0.04 0.00 0.00 34.50 32.06 1su3 s PRO 173 CO -0.11 -0.25 1.26 -0.06 0.04 0.00 0.00 177.00 177.87 1su3 s PHE 174 N -1.52 1.37 -0.03 0.56 0.08 -0.37 -4.91 117.98 113.16 1su3 s PHE 174 Ca 0.58 0.40 0.12 0.00 0.12 0.00 0.00 56.93 58.14 1su3 s PHE 174 Cb -0.27 -3.90 0.21 0.00 -0.57 0.00 0.00 43.02 38.49 1su3 s PHE 174 CO 0.33 -2.95 1.09 -0.40 -0.10 0.00 0.00 175.22 173.19 1su3 n ASP 175 N -4.02 0.74 0.00 1.36 5.75 -1.26 -4.26 116.55 114.85 1su3 n ASP 175 Ca 0.14 -2.28 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 1su3 n ASP 175 Cb 0.59 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 1su3 n ASP 175 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1su3 n GLY 176 N -0.09 -2.35 3.66 6.12 0.00 -1.26 -4.89 105.19 106.39 1su3 n GLY 176 Ca 0.05 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 1su3 n GLY 176 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1su3 n PRO 177 N -0.56 1.73 0.00 1.61 -0.02 -1.26 -4.71 135.00 131.79 1su3 n PRO 177 Ca 0.00 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1su3 n PRO 177 Cb 0.00 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 1su3 n PRO 177 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1su3 n GLY 178 N 0.95 -1.60 7.00 -1.23 0.00 -1.26 -4.96 105.19 104.09 1su3 n GLY 178 Ca 0.07 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1su3 n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1su3 n GLY 179 N 0.00 4.02 3.64 -0.02 0.00 -1.26 -4.42 105.19 107.16 1su3 n GLY 179 Ca 0.00 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1su3 n GLY 179 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1su3 s ASN 180 N -4.00 6.33 -0.08 1.61 3.04 -1.26 -0.97 114.94 119.60 1su3 s ASN 180 Ca 0.00 2.22 0.17 0.00 0.04 0.00 0.00 52.86 55.29 1su3 s ASN 180 Cb 0.00 -2.53 -0.23 0.00 -1.54 0.00 0.00 41.25 36.95 1su3 s ASN 180 CO 0.00 -1.21 0.42 0.18 -3.04 0.00 0.00 177.10 173.45 1su3 n LEU 181 N 8.31 0.36 -3.60 3.21 4.77 -0.27 -4.67 117.00 125.11 1su3 n LEU 181 Ca 0.21 0.17 -0.04 0.00 -0.03 0.00 0.00 56.01 56.31 1su3 n LEU 181 Cb 0.43 0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.76 1su3 n LEU 181 CO 0.66 0.32 1.03 0.00 -1.33 0.00 0.00 177.39 178.06 1su3 s ALA 182 N -2.76 -2.09 0.19 -1.18 0.00 -1.26 -1.46 121.76 113.20 1su3 s ALA 182 Ca -0.07 1.64 -0.11 0.00 0.00 0.00 0.00 51.96 53.42 1su3 s ALA 182 Cb 0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.03 1su3 s ALA 182 CO 0.84 -0.58 0.36 -3.38 0.00 0.00 0.00 175.76 172.99 1su3 s HIS 183 N -2.35 0.37 0.05 0.00 -3.43 -0.25 -0.43 115.29 109.25 1su3 s HIS 183 Ca 0.10 -0.72 -0.14 0.00 -0.80 0.00 0.00 55.06 53.50 1su3 s HIS 183 Cb -0.01 0.04 0.02 0.00 -1.43 0.00 0.00 32.58 31.20 1su3 s HIS 183 CO -0.04 -0.82 0.32 0.00 -2.00 0.00 0.00 174.74 172.19 1su3 s ALA 184 N -3.98 -0.71 -0.08 -1.38 0.00 -1.26 -0.91 121.76 113.44 1su3 s ALA 184 Ca 0.19 -0.01 -0.05 0.00 0.00 0.00 0.00 51.96 52.09 1su3 s ALA 184 Cb 0.02 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 1su3 s ALA 184 CO 0.03 -0.44 0.12 -0.06 0.00 0.00 0.00 175.76 175.41 1su3 s PHE 185 N -2.73 3.50 0.88 0.00 0.40 -0.09 -4.81 117.98 115.12 1su3 s PHE 185 Ca -0.04 0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 56.59 1su3 s PHE 185 Cb -0.00 -1.88 0.10 0.00 0.51 0.00 0.00 43.02 41.75 1su3 s PHE 185 CO -0.04 0.67 1.01 1.04 0.70 0.00 0.00 175.22 178.59 1su3 n GLN 186 N 1.73 -0.18 -1.58 0.44 1.13 -1.26 -1.78 117.38 115.88 1su3 n GLN 186 Ca -0.17 0.02 -0.41 0.00 -1.94 0.00 0.00 57.00 54.49 1su3 n GLN 186 Cb 0.54 -2.28 0.02 0.00 0.11 0.00 0.00 30.24 28.63 1su3 n GLN 186 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 1su3 n PRO 187 N -3.32 1.14 0.00 -1.09 -0.02 -1.24 -1.87 135.00 128.60 1su3 n PRO 187 Ca 0.12 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1su3 n PRO 187 Cb 0.52 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1su3 n PRO 187 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1su3 n GLY 188 N 1.31 0.79 3.87 -1.23 0.00 -1.26 -4.33 105.19 104.34 1su3 n GLY 188 Ca 0.10 -1.41 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 1su3 n GLY 188 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1su3 s PRO 189 N -1.84 2.66 7.81 1.61 0.04 -1.26 -3.78 135.00 140.24 1su3 s PRO 189 Ca 0.00 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.50 1su3 s PRO 189 Cb 0.00 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1su3 s PRO 189 CO 0.00 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.27 1su3 n GLY 190 N -2.89 3.00 0.25 0.56 0.00 -1.26 -2.79 105.19 102.06 1su3 n GLY 190 Ca 0.07 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 45.95 1su3 n GLY 190 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1su3 n ILE 191 N 0.00 0.12 -1.76 -0.61 -5.35 -1.26 -4.87 119.36 105.62 1su3 n ILE 191 Ca 0.00 -0.16 -0.42 0.00 -0.27 0.00 0.00 62.75 61.90 1su3 n ILE 191 Cb 0.00 0.02 -0.02 0.00 -1.74 0.00 0.00 39.64 37.91 1su3 n ILE 191 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1su3 s GLY 192 N -1.46 1.88 0.00 3.28 0.00 -1.12 -1.42 107.32 108.49 1su3 s GLY 192 Ca 0.26 1.58 0.00 0.00 0.00 0.00 0.00 44.72 46.56 1su3 s GLY 192 CO 0.20 2.64 0.00 0.61 0.00 0.00 0.00 173.10 176.55 1su3 n GLY 193 N 2.62 3.09 3.77 0.20 0.00 -0.73 -4.48 105.19 109.66 1su3 n GLY 193 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1su3 n GLY 193 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1su3 s ASP 194 N -1.18 6.26 -0.12 1.61 1.11 -0.51 -4.49 116.67 119.36 1su3 s ASP 194 Ca 0.00 2.25 0.01 0.00 0.18 0.00 0.00 52.55 54.99 1su3 s ASP 194 Cb 0.00 -2.60 0.02 0.00 1.07 0.00 0.00 42.92 41.41 1su3 s ASP 194 CO 0.00 -0.85 -0.15 0.00 1.18 0.00 0.00 175.17 175.35 1su3 s ALA 195 N -1.58 1.75 -0.15 5.23 0.00 -0.79 -0.92 121.76 125.30 1su3 s ALA 195 Ca 0.63 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.78 1su3 s ALA 195 Cb -0.27 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 1su3 s ALA 195 CO 0.33 -0.14 -0.07 -1.01 0.00 0.00 0.00 175.76 174.87 1su3 s HIS 196 N 1.09 2.93 -0.12 0.00 3.76 -0.08 -2.12 115.29 120.74 1su3 s HIS 196 Ca -0.04 -0.51 -0.03 0.00 -0.15 0.00 0.00 55.06 54.33 1su3 s HIS 196 Cb -0.14 -1.93 -0.03 0.00 1.11 0.00 0.00 32.58 31.58 1su3 s HIS 196 CO -0.03 -0.17 -0.02 -0.06 -0.85 0.00 0.00 174.74 173.60 1su3 s PHE 197 N 0.50 3.08 -0.43 1.40 0.40 -0.55 -1.09 117.98 121.29 1su3 s PHE 197 Ca -0.06 -0.05 -0.28 0.00 -0.60 0.00 0.00 56.93 55.94 1su3 s PHE 197 Cb -0.15 -1.88 -0.01 0.00 0.51 0.00 0.00 43.02 41.50 1su3 s PHE 197 CO 0.03 0.20 1.65 0.34 0.70 0.00 0.00 175.22 178.15 1su3 s ASP 198 N -0.22 5.94 0.63 1.36 -1.08 -0.53 -1.02 116.67 121.74 1su3 s ASP 198 Ca 0.05 0.88 0.42 0.00 -0.52 0.00 0.00 52.55 53.38 1su3 s ASP 198 Cb -0.13 -2.53 2.24 0.00 -1.46 0.00 0.00 42.92 41.04 1su3 s ASP 198 CO 0.02 -1.75 2.29 -0.08 0.52 0.00 0.00 175.17 176.17 1su3 h GLU 199 N 12.40 0.00 0.00 4.34 4.57 -1.05 -2.11 114.58 132.74 1su3 h GLU 199 Ca -0.30 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 1su3 h GLU 199 Cb 1.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1su3 h GLU 199 CO 1.10 0.00 0.00 -0.44 -1.18 0.00 0.00 179.01 178.49 1su3 h ASP 200 N 0.00 0.00 -4.12 1.04 3.32 -1.90 -3.43 116.42 111.33 1su3 h ASP 200 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 1su3 h ASP 200 Cb 0.06 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.66 1su3 h ASP 200 CO 0.00 0.00 0.39 -1.61 -1.72 0.00 0.00 179.24 176.30 1su3 s GLU 201 N -3.41 3.49 -0.66 3.56 0.41 -0.79 -4.09 118.70 117.20 1su3 s GLU 201 Ca 0.03 1.36 -0.25 0.00 -0.41 0.00 0.00 54.97 55.71 1su3 s GLU 201 Cb 0.09 -2.05 0.05 0.00 -1.78 0.00 0.00 34.13 30.44 1su3 s GLU 201 CO 0.43 -0.69 1.08 0.50 -0.49 0.00 0.00 175.26 176.09 1su3 s ARG 202 N -3.57 3.20 0.10 1.61 3.00 -1.26 -5.04 118.95 117.00 1su3 s ARG 202 Ca 0.67 -0.46 -0.29 0.00 -1.00 0.00 0.00 55.73 54.65 1su3 s ARG 202 Cb -0.18 -4.17 -0.06 0.00 0.00 0.00 0.00 34.95 30.54 1su3 s ARG 202 CO 0.28 -1.87 0.91 -1.58 0.00 0.00 0.00 175.30 173.04 1su3 s TRP 203 N 4.68 3.80 0.37 5.12 0.52 -1.26 -1.02 118.94 131.15 1su3 s TRP 203 Ca 0.29 1.72 0.04 0.00 0.02 0.00 0.00 56.10 58.18 1su3 s TRP 203 Cb -0.12 -2.99 -0.06 0.00 -1.15 0.00 0.00 33.47 29.15 1su3 s TRP 203 CO 0.14 0.24 0.05 0.95 0.02 0.00 0.00 176.95 178.35 1su3 s THR 204 N -0.07 1.32 -0.19 2.01 -4.23 -0.20 -4.63 115.64 109.65 1su3 s THR 204 Ca 0.44 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.08 1su3 s THR 204 Cb -0.23 -2.74 0.41 0.00 1.34 0.00 0.00 72.50 71.29 1su3 s THR 204 CO 0.28 0.00 1.21 -0.46 -0.54 0.00 0.00 174.62 175.11 1su3 n ASN 205 N -0.89 1.68 -0.22 3.99 6.94 -1.26 -1.52 115.26 123.99 1su3 n ASN 205 Ca -0.05 -3.74 0.00 0.00 -0.02 0.00 0.00 54.58 50.77 1su3 n ASN 205 Cb 0.67 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 37.58 1su3 n ASN 205 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1su3 n ASN 206 N -1.02 0.00 0.00 0.53 2.04 -1.26 -5.04 115.26 110.51 1su3 n ASN 206 Ca 0.18 -0.22 0.09 0.00 -0.44 0.00 0.00 54.58 54.19 1su3 n ASN 206 Cb 0.72 0.00 0.39 0.00 -2.53 0.00 0.00 39.78 38.36 1su3 n ASN 206 CO 0.00 0.00 0.00 2.22 -0.44 0.00 0.00 177.26 179.04 1su3 n PHE 207 N 0.00 0.00 -2.13 -2.53 -1.74 -1.26 -4.50 117.46 105.30 1su3 n PHE 207 Ca 0.00 0.00 -0.32 0.00 -0.56 0.00 0.00 57.45 56.57 1su3 n PHE 207 Cb 0.00 -0.49 -0.00 0.00 1.52 0.00 0.00 39.48 40.50 1su3 n PHE 207 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1su3 s ARG 208 N -2.99 3.55 0.11 3.97 0.52 -1.26 -4.90 118.95 117.95 1su3 s ARG 208 Ca 0.09 1.06 -0.31 0.00 -0.52 0.00 0.00 55.73 56.05 1su3 s ARG 208 Cb 0.12 -2.07 -0.07 0.00 0.52 0.00 0.00 34.95 33.44 1su3 s ARG 208 CO 0.33 -0.61 1.35 -1.21 0.02 0.00 0.00 175.30 175.18 1su3 s GLU 209 N -4.23 4.34 -0.08 3.54 2.02 -1.26 -3.24 118.70 119.79 1su3 s GLU 209 Ca 0.61 2.02 0.05 0.00 0.02 0.00 0.00 54.97 57.66 1su3 s GLU 209 Cb -0.13 -3.27 -0.00 0.00 0.10 0.00 0.00 34.13 30.83 1su3 s GLU 209 CO 0.37 -0.40 -0.24 0.71 0.02 0.00 0.00 175.26 175.72 1su3 s TYR 210 N 1.08 2.47 -0.25 1.61 1.51 -0.19 -4.74 117.35 118.85 1su3 s TYR 210 Ca 0.63 -0.88 -0.29 0.00 -1.01 0.00 0.00 57.07 55.52 1su3 s TYR 210 Cb -0.35 -1.64 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 1su3 s TYR 210 CO 0.30 -0.32 1.41 1.21 -1.11 0.00 0.00 175.55 177.04 1su3 s ASN 211 N 0.11 6.61 0.21 2.29 3.84 -1.20 -1.03 114.94 125.77 1su3 s ASN 211 Ca -0.12 1.44 -0.10 0.00 0.21 0.00 0.00 52.86 54.30 1su3 s ASN 211 Cb -0.16 -2.54 0.17 0.00 -0.55 0.00 0.00 41.25 38.17 1su3 s ASN 211 CO 0.06 -1.09 1.86 0.25 -2.79 0.00 0.00 177.10 175.40 1su3 h LEU 212 N 10.96 0.93 -0.61 3.21 5.85 -1.63 -2.18 115.31 131.84 1su3 h LEU 212 Ca -0.29 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.39 1su3 h LEU 212 Cb 1.12 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 1su3 h LEU 212 CO 1.01 0.71 0.39 -0.74 -0.34 0.00 0.00 178.44 179.47 1su3 h HIS 213 N 1.07 0.74 -0.36 1.25 2.76 -1.82 0.23 115.15 119.02 1su3 h HIS 213 Ca 0.28 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.46 1su3 h HIS 213 Cb -0.06 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.63 1su3 h HIS 213 CO -0.01 0.45 0.18 -0.09 -1.30 0.00 0.00 177.93 177.16 1su3 h ARG 214 N 0.79 0.52 -0.16 5.26 9.65 -1.80 -1.51 114.38 127.13 1su3 h ARG 214 Ca 0.23 -0.07 -0.17 0.00 -1.10 0.00 0.00 59.98 58.86 1su3 h ARG 214 Cb -0.06 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.42 1su3 h ARG 214 CO -0.07 0.46 -0.62 0.28 2.80 0.00 0.00 179.97 182.82 1su3 h VAL 215 N 0.45 1.33 -0.54 0.20 2.07 -1.06 -3.00 116.25 115.70 1su3 h VAL 215 Ca 0.13 -1.90 -0.07 0.00 0.82 0.00 0.00 66.70 65.67 1su3 h VAL 215 Cb 0.11 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1su3 h VAL 215 CO -0.02 0.59 0.04 0.00 0.02 0.00 0.00 177.57 178.20 1su3 h ALA 216 N 0.91 1.06 -0.87 1.67 0.00 -0.42 0.44 119.26 122.04 1su3 h ALA 216 Ca -0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1su3 h ALA 216 Cb 1.18 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1su3 h ALA 216 CO 0.12 0.60 0.52 0.00 0.00 0.00 0.00 179.25 180.49 1su3 h ALA 217 N 1.21 1.28 0.14 0.00 0.00 -1.20 -0.35 119.26 120.34 1su3 h ALA 217 Ca 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1su3 h ALA 217 Cb 0.44 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1su3 h ALA 217 CO 0.02 0.62 -0.07 1.25 0.00 0.00 0.00 179.25 181.06 1su3 h HIS 218 N 1.20 -0.17 -0.69 0.00 6.17 -1.29 -2.66 115.15 117.71 1su3 h HIS 218 Ca 0.31 -0.00 0.11 0.00 0.71 0.00 0.00 60.37 61.50 1su3 h HIS 218 Cb -0.05 0.06 -0.08 0.00 2.52 0.00 0.00 27.41 29.86 1su3 h HIS 218 CO 0.00 0.24 0.29 0.93 0.71 0.00 0.00 177.93 180.11 1su3 h GLU 219 N -0.66 0.47 0.00 5.26 5.08 -0.72 -1.57 114.58 122.44 1su3 h GLU 219 Ca -0.02 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1su3 h GLU 219 Cb 0.49 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1su3 h GLU 219 CO 0.03 0.31 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.01 1su3 h LEU 220 N 0.48 0.00 -0.37 1.33 3.38 -1.10 -1.50 115.31 117.53 1su3 h LEU 220 Ca 0.36 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.40 1su3 h LEU 220 Cb 0.46 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 1su3 h LEU 220 CO -0.33 0.27 -0.10 1.23 0.09 0.00 0.00 178.44 179.61 1su3 h GLY 221 N 2.01 0.26 0.77 0.83 0.00 -0.91 -1.60 103.07 104.43 1su3 h GLY 221 Ca -0.00 0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.50 1su3 h GLY 221 CO 0.04 -0.14 0.40 0.45 0.00 0.00 0.00 176.54 177.28 1su3 h HIS 222 N -0.01 0.75 -0.25 5.60 3.86 -1.22 -1.20 115.15 122.68 1su3 h HIS 222 Ca 0.18 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.48 1su3 h HIS 222 Cb 0.28 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 1su3 h HIS 222 CO -0.34 0.39 0.24 0.77 0.86 0.00 0.00 177.93 179.84 1su3 h SER 223 N 0.76 0.00 0.06 2.45 0.02 -0.92 -0.36 113.55 115.56 1su3 h SER 223 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1su3 h SER 223 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1su3 h SER 223 CO -0.15 0.00 -0.51 0.18 -1.14 0.00 0.00 176.83 175.21 1su3 n LEU 224 N -3.95 1.61 0.00 5.07 4.77 -0.68 -3.71 117.00 120.11 1su3 n LEU 224 Ca 0.03 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 1su3 n LEU 224 Cb 0.38 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1su3 n LEU 224 CO 0.30 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1su3 n GLY 225 N 1.42 0.97 3.85 -0.72 0.00 -0.15 -4.60 105.19 105.97 1su3 n GLY 225 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1su3 n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1su3 s LEU 226 N 0.00 3.55 0.00 0.99 1.43 -0.51 -4.70 118.68 119.43 1su3 s LEU 226 Ca 0.00 1.47 0.00 0.00 -1.03 0.00 0.00 54.13 54.58 1su3 s LEU 226 Cb 0.00 -4.44 0.00 0.00 0.03 0.00 0.00 46.19 41.79 1su3 s LEU 226 CO 0.00 -0.64 0.02 -0.24 0.23 0.00 0.00 176.35 175.72 1su3 n SER 227 N -1.86 3.32 -4.78 2.29 2.88 -1.26 -4.05 113.62 110.16 1su3 n SER 227 Ca 0.06 -3.12 -0.36 0.00 -1.33 0.00 0.00 58.87 54.12 1su3 n SER 227 Cb 0.54 0.32 -0.03 0.00 -0.75 0.00 0.00 64.21 64.29 1su3 n SER 227 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1su3 s HIS 228 N -2.75 3.11 0.05 0.66 0.09 -1.26 -4.92 115.29 110.27 1su3 s HIS 228 Ca 0.01 1.60 0.02 0.00 -0.00 0.00 0.00 55.06 56.69 1su3 s HIS 228 Cb -0.00 -3.15 -0.04 0.00 -0.00 0.00 0.00 32.58 29.39 1su3 s HIS 228 CO 0.01 -0.85 0.09 0.45 -0.00 0.00 0.00 174.74 174.44 1su3 s SER 229 N -1.66 5.63 0.00 1.40 0.15 -0.37 -4.98 113.70 113.88 1su3 s SER 229 Ca 0.62 0.06 0.29 0.00 0.70 0.00 0.00 55.95 57.62 1su3 s SER 229 Cb -0.21 -1.57 1.26 0.00 -1.71 0.00 0.00 66.02 63.79 1su3 s SER 229 CO 0.26 0.21 1.91 0.35 1.20 0.00 0.00 173.24 177.16 1su3 n THR 230 N 0.69 0.00 -2.60 6.45 -2.24 -1.26 -4.14 114.28 111.17 1su3 n THR 230 Ca -0.10 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.24 1su3 n THR 230 Cb 0.52 -0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 1su3 n THR 230 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1su3 s ASP 231 N -2.73 6.75 0.58 3.42 -1.08 -1.26 -4.91 116.67 117.44 1su3 s ASP 231 Ca 0.22 0.74 0.35 0.00 -0.52 0.00 0.00 52.55 53.34 1su3 s ASP 231 Cb 0.20 -2.55 1.80 0.00 -1.46 0.00 0.00 42.92 40.91 1su3 s ASP 231 CO 0.51 -1.10 2.17 -0.29 0.52 0.00 0.00 175.17 176.98 1su3 h ILE 232 N 6.02 0.24 0.00 4.11 2.10 -1.96 -0.97 117.51 127.06 1su3 h ILE 232 Ca -0.22 -0.30 0.00 0.00 1.08 0.00 0.00 64.86 65.41 1su3 h ILE 232 Cb 1.06 1.24 0.00 0.00 -1.09 0.00 0.00 36.82 38.03 1su3 h ILE 232 CO 1.09 0.04 0.00 0.61 -1.08 0.00 0.00 178.15 178.81 1su3 n GLY 233 N -0.71 -1.41 3.83 8.18 0.00 -1.26 -4.88 105.19 108.94 1su3 n GLY 233 Ca -0.02 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1su3 n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su3 s ALA 234 N -3.09 3.43 0.53 4.61 0.00 -0.37 -4.52 121.76 122.35 1su3 s ALA 234 Ca 0.10 0.06 0.19 0.00 0.00 0.00 0.00 51.96 52.30 1su3 s ALA 234 Cb 0.13 -2.73 1.36 0.00 0.00 0.00 0.00 23.12 21.88 1su3 s ALA 234 CO 0.47 0.36 2.16 -0.07 0.00 0.00 0.00 175.76 178.68 1su3 h LEU 235 N 3.10 0.00 -0.45 0.00 3.38 -1.87 -2.40 115.31 117.08 1su3 h LEU 235 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1su3 h LEU 235 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1su3 h LEU 235 CO 0.66 0.02 0.00 0.23 0.09 0.00 0.00 178.44 179.43 1su3 n MET 236 N -4.37 1.30 -1.70 1.13 2.81 -1.26 -4.64 117.12 110.39 1su3 n MET 236 Ca -0.03 -0.45 -0.40 0.00 -1.81 0.00 0.00 57.70 55.01 1su3 n MET 236 Cb 0.10 -1.30 0.02 0.00 -0.71 0.00 0.00 33.22 31.34 1su3 n MET 236 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 1su3 n TYR 237 N -0.31 2.04 -0.24 2.03 9.36 -0.90 -1.24 117.16 127.90 1su3 n TYR 237 Ca 0.13 0.48 -0.08 0.00 3.32 0.00 0.00 57.90 61.76 1su3 n TYR 237 Cb 0.16 -2.35 0.04 0.00 -0.63 0.00 0.00 39.34 36.56 1su3 n TYR 237 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1su3 h PRO 238 N 1.84 1.08 -6.50 2.98 0.11 -1.90 -3.45 132.00 126.17 1su3 h PRO 238 Ca -0.48 -0.26 -0.53 0.00 0.11 0.00 0.00 66.00 64.84 1su3 h PRO 238 Cb 1.30 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1su3 h PRO 238 CO 0.59 0.97 -0.04 -1.12 -0.21 0.00 0.00 178.00 178.18 1su3 s SER 239 N -6.40 6.73 0.24 -2.05 0.01 -1.26 -1.27 113.70 109.70 1su3 s SER 239 Ca -0.12 1.08 -0.31 0.00 1.31 0.00 0.00 55.95 57.91 1su3 s SER 239 Cb 0.14 -2.29 -0.11 0.00 0.21 0.00 0.00 66.02 63.98 1su3 s SER 239 CO 0.84 -0.07 1.54 -0.47 0.41 0.00 0.00 173.24 175.50 1su3 s TYR 240 N -1.77 2.93 0.04 2.43 5.04 -0.54 -4.93 117.35 120.54 1su3 s TYR 240 Ca 0.47 0.80 -0.02 0.00 -2.44 0.00 0.00 57.07 55.88 1su3 s TYR 240 Cb -0.12 -3.95 -0.03 0.00 0.35 0.00 0.00 41.96 38.21 1su3 s TYR 240 CO 0.20 -3.28 0.00 0.95 -1.34 0.00 0.00 175.55 172.08 1su3 s THR 241 N 0.35 0.16 -0.17 4.34 -4.23 -1.26 -4.96 115.64 109.87 1su3 s THR 241 Ca 0.64 -1.32 -0.07 0.00 -1.18 0.00 0.00 61.69 59.76 1su3 s THR 241 Cb -0.45 -0.93 0.07 0.00 1.34 0.00 0.00 72.50 72.53 1su3 s THR 241 CO 0.41 -0.73 0.37 0.12 -0.54 0.00 0.00 174.62 174.26 1su3 s PHE 242 N -2.75 -0.61 -0.25 3.99 5.36 -1.26 -5.00 117.98 117.47 1su3 s PHE 242 Ca -0.04 1.26 -0.03 0.00 -0.96 0.00 0.00 56.93 57.17 1su3 s PHE 242 Cb -0.00 0.21 0.11 0.00 -0.34 0.00 0.00 43.02 43.00 1su3 s PHE 242 CO -0.06 -0.38 0.24 0.45 -1.46 0.00 0.00 175.22 174.01 1su3 s SER 243 N 1.90 1.83 1.51 6.13 0.15 -1.26 -4.73 113.70 119.23 1su3 s SER 243 Ca -0.06 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.00 1su3 s SER 243 Cb -0.10 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1su3 s SER 243 CO -0.12 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.56 1su3 n GLY 244 N 5.31 3.31 3.71 9.45 0.00 -1.26 -4.52 105.19 121.19 1su3 n GLY 244 Ca -0.04 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1su3 n GLY 244 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1su3 s ASP 245 N -4.00 7.24 0.08 1.61 -0.00 -1.26 -4.99 116.67 115.36 1su3 s ASP 245 Ca 0.00 1.50 -0.31 0.00 -0.00 0.00 0.00 52.55 53.74 1su3 s ASP 245 Cb 0.00 -2.51 -0.08 0.00 -0.00 0.00 0.00 42.92 40.32 1su3 s ASP 245 CO 0.00 -0.19 1.59 -0.69 -0.00 0.00 0.00 175.17 175.87 1su3 s VAL 246 N 0.86 3.06 0.02 -1.27 1.01 -1.26 -4.99 120.40 117.82 1su3 s VAL 246 Ca 0.47 0.58 -0.14 0.00 0.00 0.00 0.00 61.98 62.89 1su3 s VAL 246 Cb -0.20 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 32.83 1su3 s VAL 246 CO 0.25 0.01 0.30 0.00 0.00 0.00 0.00 175.10 175.65 1su3 s GLN 247 N 2.22 0.75 0.11 2.72 -2.07 -1.26 -5.11 119.66 117.02 1su3 s GLN 247 Ca 0.71 -0.40 -0.31 0.00 -1.82 0.00 0.00 55.36 53.54 1su3 s GLN 247 Cb -0.39 0.33 -0.08 0.00 -1.09 0.00 0.00 33.01 31.77 1su3 s GLN 247 CO 0.31 -0.23 1.41 -0.51 -1.32 0.00 0.00 175.29 174.96 1su3 s LEU 248 N -1.80 4.36 0.82 2.60 1.43 -1.26 -4.70 118.68 120.14 1su3 s LEU 248 Ca -0.08 2.33 -0.11 0.00 -1.03 0.00 0.00 54.13 55.24 1su3 s LEU 248 Cb -0.02 -3.58 0.08 0.00 0.03 0.00 0.00 46.19 42.70 1su3 s LEU 248 CO -0.01 -0.68 1.09 0.00 0.23 0.00 0.00 176.35 176.98 1su3 s ALA 249 N 1.29 2.03 0.42 4.21 0.00 -1.26 -4.13 121.76 124.31 1su3 s ALA 249 Ca 0.65 -0.07 0.11 0.00 0.00 0.00 0.00 51.96 52.65 1su3 s ALA 249 Cb -0.37 -3.17 0.94 0.00 0.00 0.00 0.00 23.12 20.52 1su3 s ALA 249 CO 0.30 -1.92 2.00 0.37 0.00 0.00 0.00 175.76 176.51 1su3 h GLN 250 N -1.23 0.49 -0.79 0.00 5.75 -1.49 -0.69 115.11 117.13 1su3 h GLN 250 Ca -0.47 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 57.99 1su3 h GLN 250 Cb 1.26 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 29.67 1su3 h GLN 250 CO 0.56 0.32 0.47 0.22 -2.65 0.00 0.00 178.83 177.76 1su3 h ASP 251 N 0.50 0.96 -0.56 -0.69 3.58 -1.92 -0.03 116.42 118.26 1su3 h ASP 251 Ca 0.24 -0.07 -0.08 0.00 0.42 0.00 0.00 57.03 57.54 1su3 h ASP 251 Cb 0.31 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 1su3 h ASP 251 CO -0.07 0.75 0.04 0.44 -2.88 0.00 0.00 179.24 177.53 1su3 h ASP 252 N 1.09 0.94 -0.01 2.28 3.32 -1.51 -1.71 116.42 120.82 1su3 h ASP 252 Ca 0.28 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1su3 h ASP 252 Cb -0.03 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 1su3 h ASP 252 CO -0.05 0.99 0.00 0.40 -1.72 0.00 0.00 179.24 178.86 1su3 h ILE 253 N 0.86 1.22 -0.71 0.35 2.04 -1.05 -1.34 117.51 118.88 1su3 h ILE 253 Ca 0.17 -0.65 0.07 0.00 1.00 0.00 0.00 64.86 65.44 1su3 h ILE 253 Cb 0.49 1.64 -0.06 0.00 -0.74 0.00 0.00 36.82 38.14 1su3 h ILE 253 CO 0.02 0.17 0.39 0.44 0.00 0.00 0.00 178.15 179.18 1su3 h ASP 254 N -0.25 0.58 -0.37 1.72 3.32 -1.02 -0.90 116.42 119.50 1su3 h ASP 254 Ca 0.00 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 1su3 h ASP 254 Cb 0.28 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1su3 h ASP 254 CO 0.00 0.36 -0.12 1.23 -1.72 0.00 0.00 179.24 178.99 1su3 h GLY 255 N 0.71 0.80 1.56 2.75 0.00 -1.22 -1.99 103.07 105.68 1su3 h GLY 255 Ca 0.32 -0.68 -0.18 0.00 0.00 0.00 0.00 47.33 46.79 1su3 h GLY 255 CO -0.20 0.62 -0.71 1.19 0.00 0.00 0.00 176.54 177.45 1su3 h ILE 256 N 0.53 1.37 -0.14 2.60 6.09 -0.99 -3.17 117.51 123.80 1su3 h ILE 256 Ca 0.09 -2.08 -0.11 0.00 -1.37 0.00 0.00 64.86 61.38 1su3 h ILE 256 Cb 0.65 2.06 -0.01 0.00 0.47 0.00 0.00 36.82 39.99 1su3 h ILE 256 CO 0.04 0.63 -0.42 1.56 -3.07 0.00 0.00 178.15 176.90 1su3 h GLN 257 N 0.30 0.32 0.00 2.19 4.20 -1.14 -1.25 115.11 119.73 1su3 h GLN 257 Ca -0.03 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1su3 h GLN 257 Cb 1.28 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1su3 h GLN 257 CO 0.12 0.68 0.00 0.00 -0.67 0.00 0.00 178.83 178.97 1su3 n ALA 258 N -2.48 1.34 -0.13 3.87 0.00 -0.75 0.17 120.51 122.53 1su3 n ALA 258 Ca -0.02 0.11 -0.24 0.00 0.00 0.00 0.00 53.44 53.29 1su3 n ALA 258 Cb 0.49 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 1su3 n ALA 258 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1su3 n ILE 259 N -2.10 1.43 0.33 0.00 5.41 -0.92 -4.80 119.36 118.71 1su3 n ILE 259 Ca 0.01 -0.43 0.04 0.00 1.00 0.00 0.00 62.75 63.36 1su3 n ILE 259 Cb 0.12 -1.67 -0.00 0.00 -0.71 0.00 0.00 39.64 37.37 1su3 n ILE 259 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1su3 n TYR 260 N -3.82 0.00 0.00 1.39 4.01 -0.52 -5.06 117.16 113.16 1su3 n TYR 260 Ca -0.49 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.25 1su3 n TYR 260 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.93 1su3 n TYR 260 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1su3 n GLY 261 N 0.79 -1.01 3.90 2.72 0.00 0.13 -4.46 105.19 107.26 1su3 n GLY 261 Ca 0.03 -1.65 -0.28 0.00 0.00 0.00 0.00 46.02 44.12 1su3 n GLY 261 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1su3 s ARG 262 N -1.48 3.36 0.89 1.61 0.52 -1.26 -4.27 118.95 118.32 1su3 s ARG 262 Ca 0.00 0.27 -0.12 0.00 -0.52 0.00 0.00 55.73 55.36 1su3 s ARG 262 Cb 0.00 -2.27 0.13 0.00 0.52 0.00 0.00 34.95 33.33 1su3 s ARG 262 CO 0.00 -0.45 1.15 -1.54 0.02 0.00 0.00 175.30 174.48 1su3 s SER 263 N -4.19 3.69 0.00 0.23 1.04 -1.17 -3.93 113.70 109.36 1su3 s SER 263 Ca 0.51 0.92 0.22 0.00 0.48 0.00 0.00 55.95 58.08 1su3 s SER 263 Cb -0.11 -1.47 0.53 0.00 0.10 0.00 0.00 66.02 65.07 1su3 s SER 263 CO 0.47 -2.44 1.45 0.00 0.98 0.00 0.00 173.24 173.70 1su3 n GLN 264 N -3.68 2.24 -2.25 4.02 1.13 -1.26 -4.94 117.38 112.64 1su3 n GLN 264 Ca 0.07 -1.88 -0.42 0.00 -1.94 0.00 0.00 57.00 52.83 1su3 n GLN 264 Cb 0.60 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.45 1su3 n GLN 264 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1su3 s ASN 265 N -1.47 6.91 0.60 1.08 -0.87 -1.26 -4.91 114.94 115.02 1su3 s ASN 265 Ca 0.36 2.26 0.38 0.00 -1.57 0.00 0.00 52.86 54.30 1su3 s ASN 265 Cb 0.21 -2.59 1.90 0.00 -0.02 0.00 0.00 41.25 40.75 1su3 s ASN 265 CO 0.29 -0.57 2.19 1.55 -2.57 0.00 0.00 177.10 177.99 1su3 h PRO 266 N 6.46 0.00 0.02 -0.60 0.13 -2.02 -2.99 132.00 133.00 1su3 h PRO 266 Ca -0.43 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.72 1su3 h PRO 266 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1su3 h PRO 266 CO 0.83 0.02 -0.45 -0.39 -0.23 0.00 0.00 178.00 177.78 1su3 h VAL 267 N 0.00 0.00 -3.85 1.56 -1.51 -1.99 -3.48 116.25 106.98 1su3 h VAL 267 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1su3 h VAL 267 Cb 0.23 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.39 1su3 h VAL 267 CO 0.00 0.00 -0.14 1.67 -1.23 0.00 0.00 177.57 177.87 1su3 n GLN 268 N -4.96 -0.79 -1.68 5.19 -0.06 -1.13 -4.99 117.38 108.96 1su3 n GLN 268 Ca -0.06 1.05 -0.44 0.00 -2.00 0.00 0.00 57.00 55.54 1su3 n GLN 268 Cb 0.33 -3.05 -0.02 0.00 -4.06 0.00 0.00 30.24 23.43 1su3 n GLN 268 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1su3 n PRO 269 N -0.63 2.09 -4.18 3.69 -0.02 -1.26 -5.01 135.00 129.67 1su3 n PRO 269 Ca 0.03 0.74 -0.26 0.00 -2.02 0.00 0.00 63.50 62.00 1su3 n PRO 269 Cb 0.25 -2.41 -0.07 0.00 -0.02 0.00 0.00 33.50 31.25 1su3 n PRO 269 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1su3 s ILE 270 N -0.09 3.88 0.10 4.25 2.07 -1.26 -5.06 121.20 125.09 1su3 s ILE 270 Ca 0.67 -1.40 0.01 0.00 -1.41 0.00 0.00 60.65 58.52 1su3 s ILE 270 Cb -0.63 -2.98 -0.04 0.00 0.13 0.00 0.00 42.46 38.94 1su3 s ILE 270 CO 0.50 -0.15 -0.04 -0.83 -1.91 0.00 0.00 174.94 172.51 1su3 s GLY 271 N -3.09 0.76 0.24 1.50 0.00 -1.26 -4.98 107.32 100.48 1su3 s GLY 271 Ca 0.29 -1.35 -0.31 0.00 0.00 0.00 0.00 44.72 43.35 1su3 s GLY 271 CO 0.20 -1.43 1.68 2.56 0.00 0.00 0.00 173.10 176.11 1su3 s PRO 272 N -3.87 4.12 0.11 2.90 0.04 -1.26 -3.86 135.00 133.17 1su3 s PRO 272 Ca 0.13 2.61 -0.14 0.00 0.04 0.00 0.00 61.00 63.63 1su3 s PRO 272 Cb 0.06 -3.05 -0.07 0.00 0.04 0.00 0.00 34.50 31.48 1su3 s PRO 272 CO -0.05 -0.72 0.51 -0.65 0.04 0.00 0.00 177.00 176.13 1su3 s GLN 273 N 0.56 3.96 -0.17 4.56 -0.21 -1.26 -1.93 119.66 125.17 1su3 s GLN 273 Ca 0.71 0.46 -0.22 0.00 0.02 0.00 0.00 55.36 56.33 1su3 s GLN 273 Cb -0.49 -3.02 -0.03 0.00 1.00 0.00 0.00 33.01 30.47 1su3 s GLN 273 CO 0.38 0.54 0.65 0.99 -2.12 0.00 0.00 175.29 175.73 1su3 s THR 274 N -1.36 5.02 0.61 -0.19 2.01 -1.26 -5.03 115.64 115.44 1su3 s THR 274 Ca 0.34 1.26 -0.19 0.00 0.31 0.00 0.00 61.69 63.41 1su3 s THR 274 Cb -0.16 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 1su3 s THR 274 CO 0.18 0.13 1.26 -0.81 -0.69 0.00 0.00 174.62 174.70 1su3 n PRO 275 N 4.81 1.24 -4.39 4.92 -0.04 -1.26 -5.00 135.00 135.27 1su3 n PRO 275 Ca -0.01 0.48 -0.33 0.00 -0.04 0.00 0.00 63.50 63.59 1su3 n PRO 275 Cb 0.50 -2.49 -0.16 0.00 -0.04 0.00 0.00 33.50 31.31 1su3 n PRO 275 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1su3 s LYS 276 N -3.15 3.12 0.46 0.54 1.02 -1.26 -5.02 119.74 115.46 1su3 s LYS 276 Ca 0.79 -0.79 0.12 0.00 0.02 0.00 0.00 55.97 56.11 1su3 s LYS 276 Cb -0.40 -2.60 1.07 0.00 -0.52 0.00 0.00 37.83 35.38 1su3 s LYS 276 CO 0.44 -0.07 2.10 0.00 -0.92 0.00 0.00 175.35 176.89 1su3 h ALA 277 N 7.56 1.87 -0.38 5.17 0.00 -1.98 -2.33 119.26 129.17 1su3 h ALA 277 Ca -0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1su3 h ALA 277 Cb 1.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1su3 h ALA 277 CO 0.59 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.95 1su3 s ASP 279 N -1.20 6.38 0.56 0.00 2.15 -0.88 -4.89 116.67 118.79 1su3 s ASP 279 Ca 0.33 1.95 0.36 0.00 0.43 0.00 0.00 52.55 55.62 1su3 s ASP 279 Cb 0.18 -2.53 1.71 0.00 -0.30 0.00 0.00 42.92 41.99 1su3 s ASP 279 CO 0.25 -1.21 2.09 0.77 -0.17 0.00 0.00 175.17 176.90 1su3 h SER 280 N 10.80 0.00 -0.10 -0.34 4.64 -1.89 -0.64 113.55 126.02 1su3 h SER 280 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1su3 h SER 280 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1su3 h SER 280 CO 0.98 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 177.23 1su3 n LYS 281 N -2.98 1.28 -1.81 4.77 4.76 -1.26 -4.84 118.16 118.08 1su3 n LYS 281 Ca -0.01 -0.43 -0.42 0.00 -2.87 0.00 0.00 58.31 54.59 1su3 n LYS 281 Cb 0.20 -1.19 -0.03 0.00 -1.84 0.00 0.00 35.03 32.17 1su3 n LYS 281 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1su3 s LEU 282 N -1.24 4.38 0.24 -0.35 2.96 -0.25 -4.85 118.68 119.56 1su3 s LEU 282 Ca 0.17 2.72 0.07 0.00 -0.22 0.00 0.00 54.13 56.87 1su3 s LEU 282 Cb 0.09 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.14 1su3 s LEU 282 CO 0.13 -0.93 -0.09 0.42 -1.32 0.00 0.00 176.35 174.57 1su3 s THR 283 N 1.70 1.58 0.08 3.68 -4.23 -1.26 -4.42 115.64 112.77 1su3 s THR 283 Ca 0.75 -2.14 0.10 0.00 -1.18 0.00 0.00 61.69 59.21 1su3 s THR 283 Cb -0.46 -2.26 -0.03 0.00 1.34 0.00 0.00 72.50 71.09 1su3 s THR 283 CO 0.33 -0.43 -0.26 -0.36 -0.54 0.00 0.00 174.62 173.36 1su3 s PHE 284 N -3.06 2.34 0.01 3.99 0.08 -1.26 -4.88 117.98 115.20 1su3 s PHE 284 Ca 0.26 -0.38 -0.18 0.00 0.12 0.00 0.00 56.93 56.75 1su3 s PHE 284 Cb 0.02 -1.33 -0.33 0.00 -0.57 0.00 0.00 43.02 40.81 1su3 s PHE 284 CO 0.09 0.24 0.99 -0.44 -0.10 0.00 0.00 175.22 176.00 1su3 h ASP 285 N 4.34 0.73 -4.45 1.36 3.32 -1.40 -3.43 116.42 116.89 1su3 h ASP 285 Ca -0.49 -0.90 0.10 0.00 0.02 0.00 0.00 57.03 55.76 1su3 h ASP 285 Cb 1.16 -0.24 -0.18 0.00 0.22 0.00 0.00 39.33 40.29 1su3 h ASP 285 CO 0.42 1.58 0.52 0.00 -1.72 0.00 0.00 179.24 180.03 1su3 s ALA 286 N -2.65 -1.87 -0.05 3.45 0.00 -1.16 -4.25 121.76 115.23 1su3 s ALA 286 Ca -0.11 1.26 -0.05 0.00 0.00 0.00 0.00 51.96 53.06 1su3 s ALA 286 Cb 0.03 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.15 1su3 s ALA 286 CO 0.90 -0.54 0.13 0.42 0.00 0.00 0.00 175.76 176.68 1su3 s ILE 287 N -2.31 0.00 0.02 0.00 1.01 -1.26 -0.60 121.20 118.05 1su3 s ILE 287 Ca 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.62 1su3 s ILE 287 Cb -0.01 -0.20 -0.01 0.00 0.01 0.00 0.00 42.46 42.26 1su3 s ILE 287 CO -0.04 -0.01 0.06 0.28 0.00 0.00 0.00 174.94 175.23 1su3 s THR 288 N 0.04 0.11 0.43 2.92 -1.32 -0.66 -4.48 115.64 112.68 1su3 s THR 288 Ca -0.00 -0.88 -0.23 0.00 -1.21 0.00 0.00 61.69 59.36 1su3 s THR 288 Cb -0.01 -0.47 -0.08 0.00 -1.51 0.00 0.00 72.50 70.43 1su3 s THR 288 CO 0.00 -0.48 1.12 0.42 -2.21 0.00 0.00 174.62 173.47 1su3 s THR 289 N -1.69 3.35 -0.24 5.08 -4.23 -1.26 -1.34 115.64 115.30 1su3 s THR 289 Ca -0.13 1.02 -0.03 0.00 -1.18 0.00 0.00 61.69 61.37 1su3 s THR 289 Cb -0.07 -3.52 0.13 0.00 1.34 0.00 0.00 72.50 70.38 1su3 s THR 289 CO -0.01 -0.00 0.37 -0.51 -0.54 0.00 0.00 174.62 173.93 1su3 s ILE 290 N -1.59 -0.59 -1.42 2.99 2.07 0.88 -4.18 121.20 119.37 1su3 s ILE 290 Ca 0.61 -0.08 -0.00 0.00 -1.41 0.00 0.00 60.65 59.77 1su3 s ILE 290 Cb -0.26 -0.81 0.00 0.00 0.13 0.00 0.00 42.46 41.53 1su3 s ILE 290 CO 0.32 -0.13 0.41 0.54 -1.91 0.00 0.00 174.94 174.17 1su3 n ARG 291 N 5.36 -3.23 0.00 3.50 1.74 -1.26 -2.31 116.66 120.46 1su3 n ARG 291 Ca -0.04 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 1su3 n ARG 291 Cb 0.50 -4.52 0.00 0.00 -1.02 0.00 0.00 32.46 27.42 1su3 n ARG 291 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1su3 n GLY 292 N -1.99 1.78 3.74 -0.13 0.00 -1.26 -5.03 105.19 102.29 1su3 n GLY 292 Ca -0.30 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 1su3 n GLY 292 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1su3 s GLU 293 N -0.65 2.22 -0.17 1.61 -1.05 -0.98 -5.13 118.70 114.56 1su3 s GLU 293 Ca 0.00 -1.86 -0.03 0.00 -0.15 0.00 0.00 54.97 52.94 1su3 s GLU 293 Cb 0.00 -1.97 -0.02 0.00 -0.44 0.00 0.00 34.13 31.70 1su3 s GLU 293 CO 0.00 -0.12 -0.07 0.08 0.95 0.00 0.00 175.26 176.10 1su3 s VAL 294 N -2.61 3.44 -0.18 1.83 1.01 -1.26 -0.09 120.40 122.54 1su3 s VAL 294 Ca 0.41 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 1su3 s VAL 294 Cb 0.04 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 1su3 s VAL 294 CO 0.22 0.48 -0.04 -0.32 0.00 0.00 0.00 175.10 175.44 1su3 s MET 295 N 0.74 3.51 -0.06 2.72 1.75 -0.45 -4.57 119.30 122.95 1su3 s MET 295 Ca -0.03 -0.58 -0.04 0.00 -1.25 0.00 0.00 55.69 53.79 1su3 s MET 295 Cb -0.15 -2.94 -0.04 0.00 2.84 0.00 0.00 34.83 34.54 1su3 s MET 295 CO 0.02 0.03 0.14 -0.06 -0.65 0.00 0.00 175.02 174.50 1su3 s PHE 296 N 0.90 3.50 -0.07 4.11 0.40 -0.22 -1.65 117.98 124.95 1su3 s PHE 296 Ca -0.01 0.39 0.04 0.00 -0.60 0.00 0.00 56.93 56.75 1su3 s PHE 296 Cb -0.15 -1.85 0.00 0.00 0.51 0.00 0.00 43.02 41.53 1su3 s PHE 296 CO 0.01 0.66 -0.20 -0.06 0.70 0.00 0.00 175.22 176.33 1su3 s PHE 297 N -1.16 2.08 -0.14 0.36 0.08 0.23 -0.28 117.98 119.15 1su3 s PHE 297 Ca 0.21 -0.75 -0.04 0.00 0.12 0.00 0.00 56.93 56.47 1su3 s PHE 297 Cb -0.12 -1.41 0.07 0.00 -0.57 0.00 0.00 43.02 40.99 1su3 s PHE 297 CO 0.11 -0.30 0.22 0.21 -0.10 0.00 0.00 175.22 175.36 1su3 s LYS 298 N 0.27 0.13 5.71 0.44 2.47 -0.39 -1.12 119.74 127.25 1su3 s LYS 298 Ca -0.12 0.50 0.00 0.00 -1.56 0.00 0.00 55.97 54.79 1su3 s LYS 298 Cb -0.15 -0.53 0.00 0.00 -1.46 0.00 0.00 37.83 35.69 1su3 s LYS 298 CO 0.05 -0.42 0.00 -0.25 0.16 0.00 0.00 175.35 174.89 1su3 n ASP 299 N 5.33 0.00 -0.09 1.43 8.00 -1.26 -1.37 116.55 128.60 1su3 n ASP 299 Ca -0.05 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.58 1su3 n ASP 299 Cb 0.50 0.00 0.51 0.00 -0.02 0.00 0.00 41.12 42.11 1su3 n ASP 299 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1su3 n ARG 300 N 12.37 0.45 -4.27 -1.24 1.74 -1.26 -3.98 116.66 120.47 1su3 n ARG 300 Ca 0.00 -0.17 -0.28 0.00 -0.77 0.00 0.00 57.85 56.63 1su3 n ARG 300 Cb 0.00 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.85 1su3 n ARG 300 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1su3 s PHE 301 N -2.67 2.66 0.20 -1.55 0.08 -0.47 -1.09 117.98 115.14 1su3 s PHE 301 Ca 0.22 -0.21 0.07 0.00 0.12 0.00 0.00 56.93 57.13 1su3 s PHE 301 Cb 0.19 -1.34 -0.04 0.00 -0.57 0.00 0.00 43.02 41.26 1su3 s PHE 301 CO 0.54 0.47 0.09 1.52 -0.10 0.00 0.00 175.22 177.74 1su3 s TYR 302 N -1.49 2.99 0.03 0.36 -0.85 0.12 -1.26 117.35 117.25 1su3 s TYR 302 Ca 0.23 -0.10 0.03 0.00 -0.52 0.00 0.00 57.07 56.71 1su3 s TYR 302 Cb -0.10 -1.40 -0.02 0.00 0.38 0.00 0.00 41.96 40.83 1su3 s TYR 302 CO 0.14 0.53 -0.10 -1.64 -1.52 0.00 0.00 175.55 172.96 1su3 s MET 303 N -3.33 0.71 0.02 -3.49 -1.94 0.62 -2.17 119.30 109.73 1su3 s MET 303 Ca 0.30 -0.59 -0.25 0.00 -1.71 0.00 0.00 55.69 53.44 1su3 s MET 303 Cb -0.09 -0.65 0.06 0.00 2.01 0.00 0.00 34.83 36.16 1su3 s MET 303 CO 0.22 0.16 0.58 -0.98 -0.01 0.00 0.00 175.02 174.99 1su3 s ARG 304 N -0.93 1.05 0.64 2.03 3.03 -0.71 -1.05 118.95 123.01 1su3 s ARG 304 Ca -0.01 -0.08 -0.16 0.00 2.03 0.00 0.00 55.73 57.51 1su3 s ARG 304 Cb -0.07 0.49 -0.01 0.00 -1.03 0.00 0.00 34.95 34.33 1su3 s ARG 304 CO 0.01 -0.37 1.14 0.95 -1.13 0.00 0.00 175.30 175.89 1su3 s THR 305 N -2.07 3.02 -0.30 4.99 -4.23 -1.26 -1.32 115.64 114.48 1su3 s THR 305 Ca -0.07 0.53 -0.13 0.00 -1.18 0.00 0.00 61.69 60.83 1su3 s THR 305 Cb -0.01 -3.08 0.15 0.00 1.34 0.00 0.00 72.50 70.90 1su3 s THR 305 CO 0.02 -0.25 0.83 0.21 -0.54 0.00 0.00 174.62 174.89 1su3 s ASN 306 N -2.24 -0.83 0.54 3.99 3.84 -1.26 -4.77 114.94 114.21 1su3 s ASN 306 Ca 0.70 1.15 0.27 0.00 0.21 0.00 0.00 52.86 55.19 1su3 s ASN 306 Cb -0.23 1.90 1.43 0.00 -0.55 0.00 0.00 41.25 43.80 1su3 s ASN 306 CO 0.38 -0.16 1.98 1.55 -2.79 0.00 0.00 177.10 178.06 1su3 h PRO 307 N 7.62 0.00 0.00 0.43 0.13 -1.99 -1.23 132.00 136.96 1su3 h PRO 307 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1su3 h PRO 307 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1su3 h PRO 307 CO 0.10 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.06 1su3 n PHE 308 N -4.25 0.00 -5.22 1.56 3.01 -1.26 -4.68 117.46 106.62 1su3 n PHE 308 Ca 0.10 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.24 1su3 n PHE 308 Cb 0.63 -0.48 -0.17 0.00 -0.01 0.00 0.00 39.48 39.45 1su3 n PHE 308 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1su3 s TYR 309 N -2.96 2.54 0.15 1.38 1.51 -0.46 -2.76 117.35 116.74 1su3 s TYR 309 Ca 0.14 -0.97 -0.15 0.00 -1.01 0.00 0.00 57.07 55.08 1su3 s TYR 309 Cb 0.17 -1.69 0.02 0.00 -0.11 0.00 0.00 41.96 40.35 1su3 s TYR 309 CO 0.47 -0.37 1.69 -1.00 -1.11 0.00 0.00 175.55 175.23 1su3 h PRO 310 N 6.56 0.69 0.00 -1.71 0.13 -1.81 -3.37 132.00 132.49 1su3 h PRO 310 Ca -0.22 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1su3 h PRO 310 Cb 1.23 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1su3 h PRO 310 CO 0.47 0.63 -0.66 0.39 -0.23 0.00 0.00 178.00 178.60 1su3 n GLU 311 N -4.59 0.44 -3.56 0.86 1.02 -1.26 -4.41 120.64 109.15 1su3 n GLU 311 Ca 0.01 0.36 -0.13 0.00 -0.02 0.00 0.00 57.16 57.38 1su3 n GLU 311 Cb 0.15 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.03 1su3 n GLU 311 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1su3 s VAL 312 N -2.39 0.00 -0.15 2.62 0.11 -1.26 -2.83 120.40 116.49 1su3 s VAL 312 Ca -0.19 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.57 1su3 s VAL 312 Cb 0.03 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.87 1su3 s VAL 312 CO 0.28 0.00 1.05 -0.70 -3.33 0.00 0.00 175.10 172.40 1su3 s GLU 313 N -1.03 4.34 -0.11 1.54 2.12 -0.43 -4.89 118.70 120.24 1su3 s GLU 313 Ca -0.04 1.41 0.02 0.00 0.36 0.00 0.00 54.97 56.72 1su3 s GLU 313 Cb -0.01 -3.59 0.01 0.00 0.26 0.00 0.00 34.13 30.80 1su3 s GLU 313 CO 0.04 -0.47 -0.16 -1.17 -0.54 0.00 0.00 175.26 172.96 1su3 s LEU 314 N 2.59 1.75 0.35 2.70 2.96 -1.26 -1.74 118.68 126.02 1su3 s LEU 314 Ca 0.47 -0.44 -0.12 0.00 -0.22 0.00 0.00 54.13 53.83 1su3 s LEU 314 Cb -0.18 -1.11 0.03 0.00 0.50 0.00 0.00 46.19 45.43 1su3 s LEU 314 CO 0.13 0.02 0.66 0.21 -1.32 0.00 0.00 176.35 176.05 1su3 s ASN 315 N 0.97 0.27 0.27 3.68 3.84 -0.92 -5.01 114.94 118.03 1su3 s ASN 315 Ca -0.07 -1.19 -0.29 0.00 0.21 0.00 0.00 52.86 51.52 1su3 s ASN 315 Cb -0.15 0.76 -0.09 0.00 -0.55 0.00 0.00 41.25 41.22 1su3 s ASN 315 CO -0.01 -1.49 1.14 -0.36 -2.79 0.00 0.00 177.10 173.58 1su3 s PHE 316 N -2.83 3.50 0.39 0.43 0.40 -1.26 -0.70 117.98 117.90 1su3 s PHE 316 Ca 0.20 1.63 0.17 0.00 -0.60 0.00 0.00 56.93 58.33 1su3 s PHE 316 Cb -0.03 -3.35 1.05 0.00 0.51 0.00 0.00 43.02 41.20 1su3 s PHE 316 CO 0.14 -0.78 1.79 0.82 0.70 0.00 0.00 175.22 177.89 1su3 h ILE 317 N 3.17 0.59 0.00 0.64 2.04 -1.39 -1.97 117.51 120.59 1su3 h ILE 317 Ca -0.47 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1su3 h ILE 317 Cb 1.21 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1su3 h ILE 317 CO 0.68 0.08 0.00 0.77 0.00 0.00 0.00 178.15 179.68 1su3 h SER 318 N 0.44 0.00 -0.95 1.72 4.64 -1.79 -1.60 113.55 116.01 1su3 h SER 318 Ca 0.56 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 62.06 1su3 h SER 318 Cb 1.35 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.35 1su3 h SER 318 CO -0.27 0.00 0.60 0.58 -0.87 0.00 0.00 176.83 176.87 1su3 h VAL 319 N 0.00 0.73 0.00 0.95 2.07 -1.64 -3.22 116.25 115.14 1su3 h VAL 319 Ca 0.00 -0.22 -0.36 0.00 0.82 0.00 0.00 66.70 66.95 1su3 h VAL 319 Cb 0.32 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.07 1su3 h VAL 319 CO 0.00 0.11 -2.32 0.49 0.02 0.00 0.00 177.57 175.87 1su3 n PHE 320 N -4.62 0.00 -3.41 1.57 0.99 -0.77 -4.91 117.46 106.31 1su3 n PHE 320 Ca 0.21 0.00 -0.26 0.00 -0.00 0.00 0.00 57.45 57.39 1su3 n PHE 320 Cb 0.59 -0.88 -0.09 0.00 -1.00 0.00 0.00 39.48 38.09 1su3 n PHE 320 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.76 177.67 1su3 n TRP 321 N -3.35 0.05 0.16 1.38 8.01 -0.68 -4.64 117.44 118.37 1su3 n TRP 321 Ca -0.42 -3.56 0.15 0.00 -1.31 0.00 0.00 57.50 52.36 1su3 n TRP 321 Cb 0.92 -0.05 0.72 0.00 -2.01 0.00 0.00 31.31 30.88 1su3 n TRP 321 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 1su3 h PRO 322 N 5.11 0.00 0.00 -0.99 0.11 -1.80 -2.69 132.00 131.74 1su3 h PRO 322 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1su3 h PRO 322 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1su3 h PRO 322 CO 0.47 0.00 -0.18 0.00 -0.21 0.00 0.00 178.00 178.08 1su3 n GLN 323 N -4.24 0.13 -2.03 1.05 0.00 -1.26 -4.83 117.38 106.20 1su3 n GLN 323 Ca 0.03 0.08 -0.38 0.00 0.00 0.00 0.00 57.00 56.73 1su3 n GLN 323 Cb 0.34 -1.62 0.01 0.00 0.00 0.00 0.00 30.24 28.97 1su3 n GLN 323 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1su3 s LEU 324 N -3.67 3.94 1.07 2.61 1.43 -1.01 -5.00 118.68 118.04 1su3 s LEU 324 Ca 0.11 2.53 -0.16 0.00 -1.03 0.00 0.00 54.13 55.58 1su3 s LEU 324 Cb 0.16 -4.25 0.22 0.00 0.03 0.00 0.00 46.19 42.36 1su3 s LEU 324 CO 0.61 -1.22 1.14 -2.16 0.23 0.00 0.00 176.35 174.95 1su3 s PRO 325 N -2.78 -0.13 0.09 1.29 0.04 -1.26 -4.99 135.00 127.26 1su3 s PRO 325 Ca 0.67 0.11 -0.22 0.00 0.04 0.00 0.00 61.00 61.59 1su3 s PRO 325 Cb -0.34 -1.71 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 1su3 s PRO 325 CO 0.41 -3.02 0.67 1.21 0.04 0.00 0.00 177.00 176.31 1su3 s ASN 326 N -3.93 7.19 -0.04 6.66 2.47 -1.26 -4.65 114.94 121.39 1su3 s ASN 326 Ca 0.68 1.41 -0.00 0.00 0.42 0.00 0.00 52.86 55.37 1su3 s ASN 326 Cb -0.12 -2.42 0.00 0.00 -1.45 0.00 0.00 41.25 37.25 1su3 s ASN 326 CO 0.56 0.20 0.04 0.61 -3.72 0.00 0.00 177.10 174.78 1su3 n GLY 327 N 1.85 -0.40 3.79 1.21 0.00 -1.26 -5.04 105.19 105.35 1su3 n GLY 327 Ca -0.07 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1su3 n GLY 327 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1su3 s LEU 328 N -1.95 3.71 -0.06 0.99 1.43 -1.26 -4.87 118.68 116.66 1su3 s LEU 328 Ca 0.00 1.94 0.07 0.00 -1.03 0.00 0.00 54.13 55.11 1su3 s LEU 328 Cb -0.00 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.56 1su3 s LEU 328 CO 0.04 -1.00 0.07 -0.62 0.23 0.00 0.00 176.35 175.06 1su3 n GLU 329 N -1.40 2.06 -3.46 1.70 1.02 0.13 -4.57 120.64 116.12 1su3 n GLU 329 Ca 0.10 -0.02 -0.11 0.00 -0.02 0.00 0.00 57.16 57.10 1su3 n GLU 329 Cb 0.52 -1.19 -0.02 0.00 -0.02 0.00 0.00 31.44 30.73 1su3 n GLU 329 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1su3 s ALA 330 N -2.29 -1.70 -0.23 0.62 0.00 -1.21 -4.12 121.76 112.83 1su3 s ALA 330 Ca -0.03 0.75 -0.20 0.00 0.00 0.00 0.00 51.96 52.47 1su3 s ALA 330 Cb 0.03 0.64 0.06 0.00 0.00 0.00 0.00 23.12 23.85 1su3 s ALA 330 CO 0.31 -0.71 0.61 0.00 0.00 0.00 0.00 175.76 175.98 1su3 s ALA 331 N -3.33 -1.52 0.06 0.00 0.00 -1.26 -1.19 121.76 114.52 1su3 s ALA 331 Ca 0.02 1.77 -0.06 0.00 0.00 0.00 0.00 51.96 53.69 1su3 s ALA 331 Cb -0.01 -1.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.07 1su3 s ALA 331 CO -0.10 -0.29 0.10 1.52 0.00 0.00 0.00 175.76 176.99 1su3 s TYR 332 N 0.46 0.26 -0.20 0.00 1.13 -0.77 -4.37 117.35 113.87 1su3 s TYR 332 Ca -0.01 -0.68 -0.11 0.00 -1.41 0.00 0.00 57.07 54.86 1su3 s TYR 332 Cb -0.04 -0.17 -0.05 0.00 -1.10 0.00 0.00 41.96 40.59 1su3 s TYR 332 CO -0.01 -0.44 0.16 -2.00 -2.51 0.00 0.00 175.55 170.74 1su3 s GLU 333 N -3.46 4.19 -0.69 -3.49 2.12 -1.26 -0.34 118.70 115.77 1su3 s GLU 333 Ca 0.02 -0.17 -0.18 0.00 0.36 0.00 0.00 54.97 55.00 1su3 s GLU 333 Cb 0.04 -3.43 0.13 0.00 0.26 0.00 0.00 34.13 31.13 1su3 s GLU 333 CO -0.09 0.27 0.77 0.12 -0.54 0.00 0.00 175.26 175.80 1su3 s PHE 334 N 0.43 3.18 0.18 5.30 5.36 0.15 -4.34 117.98 128.24 1su3 s PHE 334 Ca 0.09 -1.25 -0.13 0.00 -0.96 0.00 0.00 56.93 54.69 1su3 s PHE 334 Cb -0.11 -4.01 0.09 0.00 -0.34 0.00 0.00 43.02 38.64 1su3 s PHE 334 CO -0.01 -1.25 1.83 0.00 -1.46 0.00 0.00 175.22 174.33 1su3 h ALA 335 N 8.85 0.75 -0.33 11.12 0.00 -1.93 -2.08 119.26 135.63 1su3 h ALA 335 Ca -0.15 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.80 1su3 h ALA 335 Cb 1.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1su3 h ALA 335 CO 1.03 0.21 0.26 0.22 0.00 0.00 0.00 179.25 180.98 1su3 h ASP 336 N 0.80 0.00 -0.45 0.00 -0.00 -1.93 0.56 116.42 115.40 1su3 h ASP 336 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.24 1su3 h ASP 336 Cb -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.29 1su3 h ASP 336 CO -0.04 0.00 0.00 0.54 -0.00 0.00 0.00 179.24 179.74 1su3 n ARG 337 N -4.26 2.52 -3.95 0.28 1.74 -0.87 -4.97 116.66 107.15 1su3 n ARG 337 Ca 0.05 -2.33 -0.26 0.00 -0.77 0.00 0.00 57.85 54.53 1su3 n ARG 337 Cb 0.43 -1.51 -0.01 0.00 -1.02 0.00 0.00 32.46 30.35 1su3 n ARG 337 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1su3 n ASP 338 N 1.47 -0.96 -4.00 0.55 2.03 0.19 -4.95 116.55 110.88 1su3 n ASP 338 Ca 0.20 -0.97 -0.18 0.00 0.52 0.00 0.00 54.79 54.35 1su3 n ASP 338 Cb 0.60 -3.19 -0.15 0.00 -0.72 0.00 0.00 41.12 37.66 1su3 n ASP 338 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1su3 s GLU 339 N -6.53 0.71 -0.04 -0.67 2.12 -0.84 -4.40 118.70 109.06 1su3 s GLU 339 Ca 0.12 -0.28 0.06 0.00 0.36 0.00 0.00 54.97 55.22 1su3 s GLU 339 Cb -0.06 -0.69 -0.02 0.00 0.26 0.00 0.00 34.13 33.62 1su3 s GLU 339 CO 0.88 0.15 -0.20 0.08 -0.54 0.00 0.00 175.26 175.64 1su3 s VAL 340 N -0.07 2.61 -0.06 3.70 1.01 0.26 0.31 120.40 128.16 1su3 s VAL 340 Ca 0.01 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.14 1su3 s VAL 340 Cb -0.05 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.35 1su3 s VAL 340 CO -0.00 0.59 -0.21 -0.13 0.00 0.00 0.00 175.10 175.34 1su3 s ARG 341 N -0.66 2.37 -0.05 2.72 0.52 0.54 -0.93 118.95 123.45 1su3 s ARG 341 Ca 0.10 -0.77 0.05 0.00 -0.52 0.00 0.00 55.73 54.59 1su3 s ARG 341 Cb -0.10 -1.95 -0.02 0.00 0.52 0.00 0.00 34.95 33.40 1su3 s ARG 341 CO -0.00 0.26 -0.18 -0.06 0.02 0.00 0.00 175.30 175.34 1su3 s PHE 342 N 0.09 2.60 -0.05 -0.53 0.08 0.01 -1.84 117.98 118.34 1su3 s PHE 342 Ca -0.08 -0.31 0.06 0.00 0.12 0.00 0.00 56.93 56.72 1su3 s PHE 342 Cb -0.14 -1.61 -0.01 0.00 -0.57 0.00 0.00 43.02 40.69 1su3 s PHE 342 CO 0.04 0.07 -0.23 -0.06 -0.10 0.00 0.00 175.22 174.94 1su3 s PHE 343 N -0.57 2.22 -0.15 0.36 0.40 -0.33 -0.97 117.98 118.94 1su3 s PHE 343 Ca 0.08 -0.62 -0.06 0.00 -0.60 0.00 0.00 56.93 55.73 1su3 s PHE 343 Cb -0.11 -1.46 0.06 0.00 0.51 0.00 0.00 43.02 42.02 1su3 s PHE 343 CO 0.01 -0.18 0.32 0.21 0.70 0.00 0.00 175.22 176.29 1su3 s LYS 344 N -0.18 0.26 6.72 0.44 2.47 -0.67 -0.70 119.74 128.08 1su3 s LYS 344 Ca -0.02 0.75 0.00 0.00 -1.56 0.00 0.00 55.97 55.14 1su3 s LYS 344 Cb -0.12 0.01 0.00 0.00 -1.46 0.00 0.00 37.83 36.25 1su3 s LYS 344 CO 0.03 -0.21 0.00 0.41 0.16 0.00 0.00 175.35 175.74 1su3 n GLY 345 N 4.74 3.20 1.45 5.54 0.00 -1.26 -2.04 105.19 116.82 1su3 n GLY 345 Ca -0.17 -0.27 0.05 0.00 0.00 0.00 0.00 46.02 45.63 1su3 n GLY 345 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1su3 n ASN 346 N 2.55 4.25 -4.43 1.61 2.04 -1.21 -4.26 115.26 115.81 1su3 n ASN 346 Ca 0.00 -2.61 -0.24 0.00 -0.44 0.00 0.00 54.58 51.29 1su3 n ASN 346 Cb 0.00 -0.61 -0.11 0.00 -2.53 0.00 0.00 39.78 36.53 1su3 n ASN 346 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1su3 s LYS 347 N -2.18 1.55 0.08 -3.83 1.02 -0.87 -1.19 119.74 114.33 1su3 s LYS 347 Ca 0.38 -1.65 -0.10 0.00 0.02 0.00 0.00 55.97 54.62 1su3 s LYS 347 Cb 0.29 -1.65 0.00 0.00 -0.52 0.00 0.00 37.83 35.95 1su3 s LYS 347 CO 0.12 0.32 0.22 1.52 -0.92 0.00 0.00 175.35 176.61 1su3 s TYR 348 N -2.33 0.07 -0.02 3.18 1.13 -0.20 -1.67 117.35 117.52 1su3 s TYR 348 Ca 0.25 -0.42 0.06 0.00 -1.41 0.00 0.00 57.07 55.55 1su3 s TYR 348 Cb -0.05 -0.01 -0.01 0.00 -1.10 0.00 0.00 41.96 40.79 1su3 s TYR 348 CO 0.12 -0.53 -0.18 -1.58 -2.51 0.00 0.00 175.55 170.87 1su3 s TRP 349 N -3.44 1.65 0.14 -3.49 0.51 -0.14 -1.83 118.94 112.34 1su3 s TRP 349 Ca 0.02 -0.33 0.06 0.00 -2.12 0.00 0.00 56.10 53.73 1su3 s TRP 349 Cb 0.03 -1.07 -0.04 0.00 -0.81 0.00 0.00 33.47 31.58 1su3 s TRP 349 CO -0.09 -0.04 0.03 0.00 -0.51 0.00 0.00 176.95 176.34 1su3 s ALA 350 N -0.39 3.33 -0.15 0.98 0.00 -1.26 -0.81 121.76 123.46 1su3 s ALA 350 Ca 0.06 -1.23 -0.14 0.00 0.00 0.00 0.00 51.96 50.66 1su3 s ALA 350 Cb -0.07 -1.16 0.04 0.00 0.00 0.00 0.00 23.12 21.92 1su3 s ALA 350 CO -0.00 0.58 0.40 0.08 0.00 0.00 0.00 175.76 176.82 1su3 s VAL 351 N -1.56 -0.00 -0.24 0.00 1.01 -0.11 -1.84 120.40 117.66 1su3 s VAL 351 Ca 0.28 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.28 1su3 s VAL 351 Cb -0.10 -0.56 0.06 0.00 0.00 0.00 0.00 36.38 35.77 1su3 s VAL 351 CO 0.20 0.00 -0.08 -1.58 0.00 0.00 0.00 175.10 173.63 1su3 s GLN 352 N 0.28 1.94 4.04 2.72 0.74 0.68 -0.57 119.66 129.48 1su3 s GLN 352 Ca -0.01 -1.10 0.00 0.00 0.05 0.00 0.00 55.36 54.30 1su3 s GLN 352 Cb -0.03 -2.68 0.00 0.00 1.10 0.00 0.00 33.01 31.40 1su3 s GLN 352 CO -0.00 -0.56 0.00 0.41 -0.55 0.00 0.00 175.29 174.59 1su3 n GLY 353 N 4.58 3.16 0.39 2.59 0.00 -1.26 -1.56 105.19 113.08 1su3 n GLY 353 Ca -0.13 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.05 1su3 n GLY 353 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1su3 n GLN 354 N 14.00 1.51 -4.99 1.61 6.02 -1.26 -4.86 117.38 129.41 1su3 n GLN 354 Ca 0.00 -0.76 -0.32 0.00 -0.01 0.00 0.00 57.00 55.90 1su3 n GLN 354 Cb 0.00 -1.36 -0.15 0.00 1.02 0.00 0.00 30.24 29.75 1su3 n GLN 354 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1su3 s ASN 355 N -1.55 3.66 0.11 1.08 4.22 -0.60 -4.67 114.94 117.19 1su3 s ASN 355 Ca 0.30 -0.37 -0.21 0.00 -2.14 0.00 0.00 52.86 50.44 1su3 s ASN 355 Cb 0.16 -1.21 -0.07 0.00 1.28 0.00 0.00 41.25 41.41 1su3 s ASN 355 CO 0.24 0.23 0.64 -0.69 -2.04 0.00 0.00 177.10 175.48 1su3 s VAL 356 N -0.04 4.63 0.74 3.54 1.01 -1.26 -0.23 120.40 128.79 1su3 s VAL 356 Ca -0.05 1.33 -0.11 0.00 0.00 0.00 0.00 61.98 63.15 1su3 s VAL 356 Cb -0.14 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.32 1su3 s VAL 356 CO 0.04 0.50 1.09 -0.76 0.00 0.00 0.00 175.10 175.98 1su3 s LEU 357 N -1.23 2.81 0.94 3.92 1.02 -0.77 -4.94 118.68 120.43 1su3 s LEU 357 Ca 0.32 1.23 -0.14 0.00 0.02 0.00 0.00 54.13 55.57 1su3 s LEU 357 Cb -0.20 -3.98 0.16 0.00 0.02 0.00 0.00 46.19 42.19 1su3 s LEU 357 CO 0.21 -1.56 1.17 -1.00 0.02 0.00 0.00 176.35 175.19 1su3 s HIS 358 N -3.26 2.17 0.00 0.29 3.76 -1.26 -4.17 115.29 112.82 1su3 s HIS 358 Ca 0.59 0.71 0.00 0.00 -0.15 0.00 0.00 55.06 56.21 1su3 s HIS 358 Cb -0.12 -3.53 0.00 0.00 1.11 0.00 0.00 32.58 30.04 1su3 s HIS 358 CO 0.53 -2.53 0.00 0.41 -0.85 0.00 0.00 174.74 172.30 1su3 n GLY 359 N -2.44 2.96 3.87 -2.22 0.00 -1.26 -5.02 105.19 101.08 1su3 n GLY 359 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1su3 n GLY 359 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1su3 s TYR 360 N -1.76 3.61 0.54 1.61 1.51 -1.26 -4.34 117.35 117.26 1su3 s TYR 360 Ca 0.00 0.76 -0.19 0.00 -1.01 0.00 0.00 57.07 56.63 1su3 s TYR 360 Cb 0.00 -2.13 -0.06 0.00 -0.11 0.00 0.00 41.96 39.66 1su3 s TYR 360 CO 0.00 0.58 1.10 -1.25 -1.11 0.00 0.00 175.55 174.88 1su3 s PRO 361 N -1.64 3.41 0.14 -1.71 0.04 -1.26 -5.04 135.00 128.94 1su3 s PRO 361 Ca 0.28 1.51 0.11 0.00 0.04 0.00 0.00 61.00 62.94 1su3 s PRO 361 Cb -0.14 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1su3 s PRO 361 CO 0.16 -0.78 -0.25 0.15 0.04 0.00 0.00 177.00 176.31 1su3 s LYS 362 N -3.38 1.47 0.47 4.56 1.02 -0.76 -4.93 119.74 118.17 1su3 s LYS 362 Ca 0.70 -1.36 -0.08 0.00 0.02 0.00 0.00 55.97 55.26 1su3 s LYS 362 Cb -0.21 -1.92 -0.05 0.00 -0.52 0.00 0.00 37.83 35.13 1su3 s LYS 362 CO 0.27 0.45 0.81 0.16 -0.92 0.00 0.00 175.35 176.11 1su3 s ASP 363 N -2.17 6.37 0.21 2.83 1.47 -1.26 -1.03 116.67 123.10 1su3 s ASP 363 Ca 0.16 1.07 0.17 0.00 1.18 0.00 0.00 52.55 55.12 1su3 s ASP 363 Cb -0.10 -2.30 0.01 0.00 -0.34 0.00 0.00 42.92 40.19 1su3 s ASP 363 CO 0.07 -0.54 1.22 0.16 0.68 0.00 0.00 175.17 176.76 1su3 h ILE 364 N 0.53 0.61 0.14 2.11 3.07 -1.50 -2.99 117.51 119.47 1su3 h ILE 364 Ca -0.47 -1.95 -0.01 0.00 1.55 0.00 0.00 64.86 63.98 1su3 h ILE 364 Cb 1.20 2.19 0.00 0.00 -0.27 0.00 0.00 36.82 39.93 1su3 h ILE 364 CO 0.63 0.35 -0.07 1.88 -1.05 0.00 0.00 178.15 179.89 1su3 h TYR 365 N 0.00 -0.17 -0.19 0.16 -1.99 -1.82 -0.36 116.97 112.60 1su3 h TYR 365 Ca -0.05 -0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.55 1su3 h TYR 365 Cb 1.39 0.06 -0.01 0.00 2.00 0.00 0.00 36.73 40.16 1su3 h TYR 365 CO 0.00 0.18 -0.39 0.66 -0.00 0.00 0.00 178.16 178.61 1su3 h SER 366 N -0.55 0.44 0.43 3.88 4.64 -1.89 -0.39 113.55 120.10 1su3 h SER 366 Ca -0.02 -0.19 -0.31 0.00 -0.47 0.00 0.00 61.79 60.80 1su3 h SER 366 Cb 0.43 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1su3 h SER 366 CO 0.03 0.79 -1.47 0.28 -0.87 0.00 0.00 176.83 175.60 1su3 h SER 367 N 0.35 0.53 0.00 4.97 0.02 -1.52 -3.40 113.55 114.50 1su3 h SER 367 Ca 0.03 -0.65 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 1su3 h SER 367 Cb 0.84 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1su3 h SER 367 CO 0.07 1.52 -1.14 0.49 -1.14 0.00 0.00 176.83 176.63 1su3 n PHE 368 N -3.55 0.00 -1.27 3.45 3.72 -0.16 -4.94 117.46 114.71 1su3 n PHE 368 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 1su3 n PHE 368 Cb 1.06 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.52 1su3 n PHE 368 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1su3 n GLY 369 N 2.27 0.53 3.76 1.37 0.00 -0.16 -4.15 105.19 108.82 1su3 n GLY 369 Ca -0.01 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 1su3 n GLY 369 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1su3 s PHE 370 N -2.00 2.49 0.70 1.61 0.08 -1.25 -4.96 117.98 114.65 1su3 s PHE 370 Ca 0.00 1.44 -0.13 0.00 0.12 0.00 0.00 56.93 58.36 1su3 s PHE 370 Cb 0.00 -3.63 0.02 0.00 -0.57 0.00 0.00 43.02 38.83 1su3 s PHE 370 CO 0.00 -2.37 1.08 -1.25 -0.10 0.00 0.00 175.22 172.59 1su3 s PRO 371 N -2.87 2.72 0.63 0.24 0.04 -1.26 -4.59 135.00 129.92 1su3 s PRO 371 Ca 0.69 1.19 0.42 0.00 0.04 0.00 0.00 61.00 63.34 1su3 s PRO 371 Cb -0.36 -1.95 2.26 0.00 0.04 0.00 0.00 34.50 34.49 1su3 s PRO 371 CO 0.42 -1.28 2.29 -0.09 0.04 0.00 0.00 177.00 178.38 1su3 h ARG 372 N -0.47 0.00 0.00 4.56 1.12 -1.99 -1.52 114.38 116.08 1su3 h ARG 372 Ca -0.45 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.41 1su3 h ARG 372 Cb 1.23 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.19 1su3 h ARG 372 CO 0.54 0.00 -0.05 1.79 -3.11 0.00 0.00 179.97 179.14 1su3 h THR 373 N 0.00 0.36 -3.67 0.20 1.35 -2.04 -3.39 112.91 105.73 1su3 h THR 373 Ca 0.00 -0.27 -0.58 0.00 -0.55 0.00 0.00 66.41 65.01 1su3 h THR 373 Cb 0.04 1.19 -0.09 0.00 -1.73 0.00 0.00 68.15 67.57 1su3 h THR 373 CO 0.00 0.05 0.77 -0.69 -0.25 0.00 0.00 175.52 175.40 1su3 s VAL 374 N -4.24 4.35 -0.11 6.82 1.01 -0.57 -4.90 120.40 122.75 1su3 s VAL 374 Ca -0.03 1.04 0.20 0.00 0.00 0.00 0.00 61.98 63.19 1su3 s VAL 374 Cb 0.13 -4.52 -0.25 0.00 0.00 0.00 0.00 36.38 31.75 1su3 s VAL 374 CO 0.53 -0.90 0.47 0.29 0.00 0.00 0.00 175.10 175.49 1su3 n LYS 375 N 7.48 0.66 -3.57 2.72 4.76 -1.26 -4.93 118.16 124.02 1su3 n LYS 375 Ca 0.09 -0.04 -0.11 0.00 -2.87 0.00 0.00 58.31 55.39 1su3 n LYS 375 Cb 0.49 -1.60 -0.02 0.00 -1.84 0.00 0.00 35.03 32.05 1su3 n LYS 375 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 1su3 s HIS 376 N -3.08 -0.39 -0.07 2.13 -3.43 -1.26 -3.35 115.29 105.84 1su3 s HIS 376 Ca -0.07 0.10 0.00 0.00 -0.80 0.00 0.00 55.06 54.29 1su3 s HIS 376 Cb 0.10 0.54 -0.03 0.00 -1.43 0.00 0.00 32.58 31.77 1su3 s HIS 376 CO 0.86 -0.93 -0.04 0.96 -2.00 0.00 0.00 174.74 173.59 1su3 s ILE 377 N -3.80 3.94 0.05 -5.38 -5.25 -1.26 -4.86 121.20 104.64 1su3 s ILE 377 Ca 0.04 -0.42 0.01 0.00 -0.99 0.00 0.00 60.65 59.29 1su3 s ILE 377 Cb -0.02 -2.64 -0.25 0.00 2.95 0.00 0.00 42.46 42.50 1su3 s ILE 377 CO -0.08 0.58 1.03 0.44 -1.79 0.00 0.00 174.94 175.12 1su3 h ASP 378 N 5.12 0.24 -4.60 4.36 3.32 -1.19 -3.38 116.42 120.30 1su3 h ASP 378 Ca -0.49 -0.30 0.18 0.00 0.02 0.00 0.00 57.03 56.43 1su3 h ASP 378 Cb 1.18 -0.08 -0.16 0.00 0.22 0.00 0.00 39.33 40.49 1su3 h ASP 378 CO 0.53 1.25 0.62 0.00 -1.72 0.00 0.00 179.24 179.92 1su3 s ALA 379 N -2.65 -1.92 -0.08 3.45 0.00 -1.14 -4.24 121.76 115.17 1su3 s ALA 379 Ca -0.04 1.15 -0.24 0.00 0.00 0.00 0.00 51.96 52.82 1su3 s ALA 379 Cb 0.08 0.24 0.05 0.00 0.00 0.00 0.00 23.12 23.49 1su3 s ALA 379 CO 0.85 -0.70 0.56 0.00 0.00 0.00 0.00 175.76 176.47 1su3 s ALA 380 N -2.85 -1.43 -0.03 0.00 0.00 -1.26 -0.29 121.76 115.91 1su3 s ALA 380 Ca 0.07 1.14 -0.10 0.00 0.00 0.00 0.00 51.96 53.07 1su3 s ALA 380 Cb -0.01 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.92 1su3 s ALA 380 CO -0.06 -0.32 0.22 -0.48 0.00 0.00 0.00 175.76 175.11 1su3 s LEU 381 N -0.87 1.21 -0.19 0.00 -0.00 -0.75 -4.45 118.68 113.63 1su3 s LEU 381 Ca -0.09 0.06 -0.05 0.00 -0.00 0.00 0.00 54.13 54.06 1su3 s LEU 381 Cb -0.02 0.90 -0.03 0.00 -0.00 0.00 0.00 46.19 47.04 1su3 s LEU 381 CO 0.06 -0.32 -0.01 -0.55 -0.00 0.00 0.00 176.35 175.54 1su3 s SER 382 N -0.97 4.86 -0.11 1.48 0.15 -1.26 -0.31 113.70 117.53 1su3 s SER 382 Ca -0.11 -0.17 -0.30 0.00 0.70 0.00 0.00 55.95 56.08 1su3 s SER 382 Cb -0.05 -1.82 -0.02 0.00 -1.71 0.00 0.00 66.02 62.42 1su3 s SER 382 CO 0.02 0.09 1.11 -0.70 1.20 0.00 0.00 173.24 174.96 1su3 s GLU 383 N 0.82 4.35 0.13 5.44 2.12 -0.52 -4.88 118.70 126.17 1su3 s GLU 383 Ca 0.00 1.51 -0.26 0.00 0.36 0.00 0.00 54.97 56.58 1su3 s GLU 383 Cb -0.14 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.62 1su3 s GLU 383 CO 0.02 -0.45 1.62 1.49 -0.54 0.00 0.00 175.26 177.39 1su3 h GLU 384 N 7.40 -0.41 -0.41 4.30 4.81 -1.93 -2.78 114.58 125.56 1su3 h GLU 384 Ca -0.30 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1su3 h GLU 384 Cb 1.13 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1su3 h GLU 384 CO 0.90 -0.28 0.00 0.27 -0.73 0.00 0.00 179.01 179.17 1su3 n ASN 385 N -5.40 2.00 0.00 1.04 0.23 -1.26 -3.96 115.26 107.90 1su3 n ASN 385 Ca -0.04 -2.07 0.00 0.00 -0.53 0.00 0.00 54.58 51.94 1su3 n ASN 385 Cb 0.32 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 1su3 n ASN 385 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1su3 n THR 386 N 0.45 0.00 -1.45 5.53 -2.24 -1.16 -5.02 114.28 110.39 1su3 n THR 386 Ca 0.11 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.75 1su3 n THR 386 Cb 0.34 0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.73 1su3 n THR 386 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1su3 n GLY 387 N 1.76 1.45 3.64 3.38 0.00 -1.06 -4.91 105.19 109.45 1su3 n GLY 387 Ca 0.00 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 1su3 n GLY 387 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1su3 s LYS 388 N -3.27 4.07 -0.21 1.61 -0.14 -1.25 -0.69 119.74 119.85 1su3 s LYS 388 Ca 0.00 -0.05 -0.07 0.00 -1.36 0.00 0.00 55.97 54.49 1su3 s LYS 388 Cb 0.00 -3.58 -0.04 0.00 -1.68 0.00 0.00 37.83 32.53 1su3 s LYS 388 CO 0.00 -0.08 0.06 0.99 -0.76 0.00 0.00 175.35 175.56 1su3 s THR 389 N 1.48 4.60 -0.32 2.17 2.01 0.48 -1.43 115.64 124.62 1su3 s THR 389 Ca 0.13 -0.09 -0.13 0.00 0.31 0.00 0.00 61.69 61.91 1su3 s THR 389 Cb -0.15 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 1su3 s THR 389 CO 0.08 0.41 0.25 -0.31 -0.69 0.00 0.00 174.62 174.36 1su3 s TYR 390 N 0.85 3.22 -0.25 4.92 1.51 0.57 -0.43 117.35 127.75 1su3 s TYR 390 Ca 0.04 -0.08 -0.08 0.00 -1.01 0.00 0.00 57.07 55.94 1su3 s TYR 390 Cb -0.14 -2.49 -0.03 0.00 -0.11 0.00 0.00 41.96 39.19 1su3 s TYR 390 CO 0.02 -0.32 0.08 -0.06 -1.11 0.00 0.00 175.55 174.17 1su3 s PHE 391 N 1.79 3.11 -0.20 2.71 0.08 -0.17 -1.81 117.98 123.50 1su3 s PHE 391 Ca 0.08 -0.31 -0.12 0.00 0.12 0.00 0.00 56.93 56.70 1su3 s PHE 391 Cb -0.17 -2.24 -0.05 0.00 -0.57 0.00 0.00 43.02 40.00 1su3 s PHE 391 CO 0.11 -0.28 0.21 -0.06 -0.10 0.00 0.00 175.22 175.09 1su3 s PHE 392 N 1.50 3.39 -0.27 0.36 0.08 0.60 -0.92 117.98 122.73 1su3 s PHE 392 Ca 0.06 0.40 -0.03 0.00 0.12 0.00 0.00 56.93 57.48 1su3 s PHE 392 Cb -0.15 -2.28 0.09 0.00 -0.57 0.00 0.00 43.02 40.11 1su3 s PHE 392 CO 0.04 0.18 0.09 0.08 -0.10 0.00 0.00 175.22 175.52 1su3 s VAL 393 N 0.68 0.43 0.00 -0.44 1.01 0.22 -0.78 120.40 121.53 1su3 s VAL 393 Ca 0.11 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1su3 s VAL 393 Cb -0.13 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.03 1su3 s VAL 393 CO 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 175.10 174.57 1su3 n ALA 394 N 5.05 0.00 1.43 5.51 0.00 -1.26 -1.27 120.51 129.97 1su3 n ALA 394 Ca -0.05 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.42 1su3 n ALA 394 Cb 0.44 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.99 1su3 n ALA 394 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1su3 n ASN 395 N 4.76 0.96 -4.44 0.00 2.04 -1.09 -4.27 115.26 113.23 1su3 n ASN 395 Ca 0.00 -1.98 -0.22 0.00 -0.44 0.00 0.00 54.58 51.94 1su3 n ASN 395 Cb 0.00 -0.12 -0.10 0.00 -2.53 0.00 0.00 39.78 37.03 1su3 n ASN 395 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1su3 s LYS 396 N -1.76 1.59 0.02 -3.83 1.02 -0.40 -1.43 119.74 114.95 1su3 s LYS 396 Ca 0.13 -1.83 -0.04 0.00 0.02 0.00 0.00 55.97 54.25 1su3 s LYS 396 Cb 0.07 -1.13 -0.01 0.00 -0.52 0.00 0.00 37.83 36.24 1su3 s LYS 396 CO 0.09 -0.01 0.07 1.52 -0.92 0.00 0.00 175.35 176.10 1su3 s TYR 397 N -3.05 0.18 0.13 3.18 -0.85 0.52 -0.61 117.35 116.86 1su3 s TYR 397 Ca 0.31 -0.42 0.10 0.00 -0.52 0.00 0.00 57.07 56.54 1su3 s TYR 397 Cb 0.05 -0.14 -0.04 0.00 0.38 0.00 0.00 41.96 42.21 1su3 s TYR 397 CO 0.13 -0.30 -0.25 -1.58 -1.52 0.00 0.00 175.55 172.03 1su3 s TRP 398 N -1.99 2.16 -0.14 -3.49 0.52 -0.10 -1.56 118.94 114.34 1su3 s TRP 398 Ca -0.10 -0.39 0.02 0.00 0.02 0.00 0.00 56.10 55.65 1su3 s TRP 398 Cb -0.05 -1.16 0.01 0.00 -1.15 0.00 0.00 33.47 31.12 1su3 s TRP 398 CO -0.02 0.32 -0.21 0.50 0.02 0.00 0.00 176.95 177.56 1su3 s ARG 399 N -2.11 3.05 -0.08 4.98 3.52 -1.26 -1.00 118.95 126.06 1su3 s ARG 399 Ca 0.13 -0.84 0.01 0.00 -0.13 0.00 0.00 55.73 54.90 1su3 s ARG 399 Cb -0.10 -2.44 -0.03 0.00 -1.56 0.00 0.00 34.95 30.82 1su3 s ARG 399 CO 0.06 0.01 -0.10 -0.47 -0.81 0.00 0.00 175.30 173.99 1su3 s TYR 400 N 0.76 2.84 -0.32 5.12 5.04 0.42 -1.08 117.35 130.13 1su3 s TYR 400 Ca -0.08 -0.17 -0.14 0.00 -2.44 0.00 0.00 57.07 54.24 1su3 s TYR 400 Cb -0.16 -1.72 -0.03 0.00 0.35 0.00 0.00 41.96 40.41 1su3 s TYR 400 CO -0.00 0.16 0.30 0.34 -1.34 0.00 0.00 175.55 175.01 1su3 s ASP 401 N -0.51 6.13 0.22 4.32 2.15 -0.13 -0.39 116.67 128.47 1su3 s ASP 401 Ca 0.07 -0.14 -0.02 0.00 0.43 0.00 0.00 52.55 52.89 1su3 s ASP 401 Cb -0.12 -2.17 0.21 0.00 -0.30 0.00 0.00 42.92 40.54 1su3 s ASP 401 CO 0.02 -0.23 1.60 -0.33 -0.17 0.00 0.00 175.17 176.06 1su3 h GLU 402 N 8.40 0.62 -0.12 4.34 4.39 -1.20 0.75 114.58 131.76 1su3 h GLU 402 Ca -0.32 -0.30 -0.20 0.00 0.34 0.00 0.00 59.36 58.89 1su3 h GLU 402 Cb 1.16 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.82 1su3 h GLU 402 CO 0.64 0.88 -0.70 1.88 -1.16 0.00 0.00 179.01 180.55 1su3 h TYR 403 N 0.52 0.93 0.00 4.33 0.99 -1.94 -3.02 116.97 118.79 1su3 h TYR 403 Ca 0.05 -0.43 0.00 0.00 2.00 0.00 0.00 58.73 60.36 1su3 h TYR 403 Cb 0.86 -0.14 0.00 0.00 1.00 0.00 0.00 36.73 38.45 1su3 h TYR 403 CO 0.04 1.24 0.00 0.87 -0.00 0.00 0.00 178.16 180.31 1su3 h LYS 404 N 0.36 0.00 -6.04 4.88 1.57 -1.94 -3.47 116.57 111.93 1su3 h LYS 404 Ca -0.06 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.31 1su3 h LYS 404 Cb 1.35 0.00 0.06 0.00 0.08 0.00 0.00 32.23 33.72 1su3 h LYS 404 CO 0.14 0.00 -0.80 0.54 -0.57 0.00 0.00 179.45 178.76 1su3 n ARG 405 N -2.87 -5.42 -3.62 3.15 1.74 0.23 -5.01 116.66 104.86 1su3 n ARG 405 Ca 0.03 0.66 -0.11 0.00 -0.77 0.00 0.00 57.85 57.66 1su3 n ARG 405 Cb 0.42 -5.36 -0.05 0.00 -1.02 0.00 0.00 32.46 26.45 1su3 n ARG 405 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1su3 s SER 406 N -4.15 -0.28 0.30 0.55 1.04 -1.05 -4.98 113.70 105.13 1su3 s SER 406 Ca 0.14 -0.22 -0.30 0.00 0.48 0.00 0.00 55.95 56.05 1su3 s SER 406 Cb -0.07 0.48 -0.11 0.00 0.10 0.00 0.00 66.02 66.42 1su3 s SER 406 CO 0.80 -0.83 1.53 -0.04 0.98 0.00 0.00 173.24 175.68 1su3 s MET 407 N -3.54 4.16 0.77 4.02 -1.94 -1.26 -0.95 119.30 120.56 1su3 s MET 407 Ca 0.01 2.50 -0.14 0.00 -1.71 0.00 0.00 55.69 56.35 1su3 s MET 407 Cb 0.01 -3.04 0.06 0.00 2.01 0.00 0.00 34.83 33.88 1su3 s MET 407 CO -0.10 -0.55 1.22 -0.25 -0.01 0.00 0.00 175.02 175.33 1su3 n ASP 408 N 1.90 1.27 -4.77 3.03 8.00 -0.24 -4.85 116.55 120.88 1su3 n ASP 408 Ca 0.06 0.64 -0.35 0.00 0.71 0.00 0.00 54.79 55.86 1su3 n ASP 408 Cb 0.38 -1.52 0.01 0.00 -0.02 0.00 0.00 41.12 39.97 1su3 n ASP 408 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1su3 s PRO 409 N -3.94 3.29 0.00 -0.24 0.04 -1.26 -4.20 135.00 128.69 1su3 s PRO 409 Ca 0.76 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1su3 s PRO 409 Cb -0.31 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1su3 s PRO 409 CO 0.48 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 177.04 1su3 n GLY 410 N 0.14 0.52 0.13 0.56 0.00 -1.26 -5.05 105.19 100.23 1su3 n GLY 410 Ca 0.12 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.36 1su3 n GLY 410 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1su3 n TYR 411 N -3.67 0.00 -1.79 1.61 4.01 -1.26 -4.50 117.16 111.56 1su3 n TYR 411 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 1su3 n TYR 411 Cb 0.47 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.47 1su3 n TYR 411 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1su3 s PRO 412 N -1.53 2.95 0.28 -0.72 0.02 -1.26 -3.66 135.00 131.08 1su3 s PRO 412 Ca 0.06 1.53 0.09 0.00 0.02 0.00 0.00 61.00 62.70 1su3 s PRO 412 Cb 0.07 -4.35 -0.04 0.00 0.02 0.00 0.00 34.50 30.20 1su3 s PRO 412 CO 0.29 -2.31 0.06 0.15 -0.33 0.00 0.00 177.00 174.86 1su3 s LYS 413 N 6.55 2.40 0.03 5.54 1.02 -0.60 -4.94 119.74 129.73 1su3 s LYS 413 Ca 0.89 -1.40 -0.30 0.00 0.02 0.00 0.00 55.97 55.17 1su3 s LYS 413 Cb -0.24 -2.22 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 1su3 s LYS 413 CO 0.31 0.31 0.98 -1.64 -0.92 0.00 0.00 175.35 174.39 1su3 s MET 414 N -3.74 4.59 0.25 1.68 -1.94 -1.26 -0.35 119.30 118.52 1su3 s MET 414 Ca 0.33 1.44 -0.05 0.00 -1.71 0.00 0.00 55.69 55.70 1su3 s MET 414 Cb -0.06 -3.44 0.32 0.00 2.01 0.00 0.00 34.83 33.66 1su3 s MET 414 CO 0.21 0.00 1.89 0.82 -0.01 0.00 0.00 175.02 177.93 1su3 h ILE 415 N 4.62 1.13 -0.74 2.53 2.04 -1.54 -2.62 117.51 122.94 1su3 h ILE 415 Ca -0.41 -0.40 0.02 0.00 1.00 0.00 0.00 64.86 65.07 1su3 h ILE 415 Cb 1.22 -0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1su3 h ILE 415 CO 0.74 0.21 0.49 0.00 0.00 0.00 0.00 178.15 179.59 1su3 h ALA 416 N 1.40 1.51 -0.42 1.87 0.00 -1.80 0.15 119.26 121.96 1su3 h ALA 416 Ca 0.38 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1su3 h ALA 416 Cb 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1su3 h ALA 416 CO -0.13 0.45 -0.13 0.45 0.00 0.00 0.00 179.25 179.88 1su3 h HIS 417 N 0.97 0.85 -0.00 0.00 3.86 -1.86 -3.29 115.15 115.68 1su3 h HIS 417 Ca 0.28 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1su3 h HIS 417 Cb -0.06 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.19 1su3 h HIS 417 CO -0.00 0.86 -0.40 -0.25 0.86 0.00 0.00 177.93 179.00 1su3 n ASP 418 N -4.15 0.87 -3.12 2.45 8.00 -0.98 -4.66 116.55 114.95 1su3 n ASP 418 Ca 0.01 -0.94 -0.21 0.00 0.71 0.00 0.00 54.79 54.37 1su3 n ASP 418 Cb 0.38 0.77 -0.03 0.00 -0.02 0.00 0.00 41.12 42.21 1su3 n ASP 418 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1su3 n PHE 419 N -0.80 1.25 -1.73 1.24 3.72 0.49 -4.98 117.46 116.64 1su3 n PHE 419 Ca 0.03 -3.87 -0.42 0.00 -0.05 0.00 0.00 57.45 53.14 1su3 n PHE 419 Cb 0.20 -0.44 -0.02 0.00 -0.94 0.00 0.00 39.48 38.29 1su3 n PHE 419 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1su3 n PRO 420 N 0.15 2.63 0.00 -1.08 -0.02 -1.24 -3.13 135.00 132.31 1su3 n PRO 420 Ca 0.27 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.68 1su3 n PRO 420 Cb 0.58 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1su3 n PRO 420 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1su3 n GLY 421 N 2.32 2.13 0.29 -1.23 0.00 -1.26 -4.76 105.19 102.68 1su3 n GLY 421 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1su3 n GLY 421 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1su3 n ILE 422 N -1.80 0.00 -2.37 -0.61 -5.35 -1.18 -5.06 119.36 102.98 1su3 n ILE 422 Ca 0.00 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 1su3 n ILE 422 Cb 0.00 0.40 0.00 0.00 -1.74 0.00 0.00 39.64 38.30 1su3 n ILE 422 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1su3 n GLY 423 N 1.30 -1.81 0.42 3.28 0.00 -1.26 -4.68 105.19 102.44 1su3 n GLY 423 Ca 0.14 -1.64 0.05 0.00 0.00 0.00 0.00 46.02 44.56 1su3 n GLY 423 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1su3 n HIS 424 N 0.00 0.35 -3.74 1.61 -0.00 -1.26 -4.55 115.22 107.63 1su3 n HIS 424 Ca 0.00 -0.63 -0.13 0.00 -0.00 0.00 0.00 57.72 56.96 1su3 n HIS 424 Cb 0.00 -0.10 -0.09 0.00 -0.00 0.00 0.00 29.99 29.80 1su3 n HIS 424 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1su3 s LYS 425 N -1.55 0.58 -0.06 -0.41 2.20 -1.26 -2.65 119.74 116.59 1su3 s LYS 425 Ca 0.21 0.19 0.02 0.00 -0.36 0.00 0.00 55.97 56.03 1su3 s LYS 425 Cb 0.14 0.27 0.01 0.00 -1.51 0.00 0.00 37.83 36.74 1su3 s LYS 425 CO 0.08 -0.13 -0.11 0.08 -0.36 0.00 0.00 175.35 174.91 1su3 s VAL 426 N -0.56 1.04 -0.04 4.02 1.01 -1.26 -4.82 120.40 119.78 1su3 s VAL 426 Ca -0.07 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.34 1su3 s VAL 426 Cb -0.04 -0.95 -0.31 0.00 0.00 0.00 0.00 36.38 35.08 1su3 s VAL 426 CO 0.03 0.33 0.74 0.44 0.00 0.00 0.00 175.10 176.63 1su3 h ASP 427 N 6.88 0.63 -4.54 3.32 3.32 -1.46 -3.40 116.42 121.16 1su3 h ASP 427 Ca -0.32 -0.92 0.05 0.00 0.02 0.00 0.00 57.03 55.86 1su3 h ASP 427 Cb 1.18 -0.20 -0.19 0.00 0.22 0.00 0.00 39.33 40.34 1su3 h ASP 427 CO 0.48 1.73 0.43 0.00 -1.72 0.00 0.00 179.24 180.15 1su3 s ALA 428 N -2.56 -1.84 -0.18 3.45 0.00 -1.15 -4.24 121.76 115.25 1su3 s ALA 428 Ca -0.15 1.25 -0.25 0.00 0.00 0.00 0.00 51.96 52.81 1su3 s ALA 428 Cb 0.05 -0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.18 1su3 s ALA 428 CO 0.86 -0.49 0.64 0.54 0.00 0.00 0.00 175.76 177.31 1su3 s VAL 429 N -2.03 0.00 0.17 0.00 0.11 -1.26 -0.81 120.40 116.57 1su3 s VAL 429 Ca -0.01 -0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 58.99 1su3 s VAL 429 Cb -0.01 -0.92 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 1su3 s VAL 429 CO -0.02 -0.02 0.11 0.72 -3.33 0.00 0.00 175.10 172.57 1su3 s PHE 430 N -0.19 0.96 -0.09 1.54 -0.12 -1.04 -4.58 117.98 114.46 1su3 s PHE 430 Ca -0.04 -1.27 0.02 0.00 -0.05 0.00 0.00 56.93 55.59 1su3 s PHE 430 Cb -0.03 -0.48 -0.02 0.00 -0.63 0.00 0.00 43.02 41.86 1su3 s PHE 430 CO 0.04 -0.60 -0.15 1.41 -0.05 0.00 0.00 175.22 175.87 1su3 s MET 431 N -4.10 2.98 -0.15 1.99 -2.45 -1.26 -1.07 119.30 115.24 1su3 s MET 431 Ca 0.31 -0.72 -0.06 0.00 -1.25 0.00 0.00 55.69 53.97 1su3 s MET 431 Cb 0.07 -2.49 0.07 0.00 1.25 0.00 0.00 34.83 33.73 1su3 s MET 431 CO 0.07 0.38 0.34 0.21 1.05 0.00 0.00 175.02 177.06 1su3 s LYS 432 N -0.09 0.26 -1.42 4.11 2.47 -0.92 -4.87 119.74 119.28 1su3 s LYS 432 Ca -0.02 0.81 -0.07 0.00 -1.56 0.00 0.00 55.97 55.12 1su3 s LYS 432 Cb -0.14 0.06 0.01 0.00 -1.46 0.00 0.00 37.83 36.30 1su3 s LYS 432 CO 0.04 -0.23 0.94 -0.25 0.16 0.00 0.00 175.35 176.01 1su3 n ASP 433 N 4.93 -6.25 0.00 1.43 8.00 -1.26 -2.52 116.55 120.89 1su3 n ASP 433 Ca -0.14 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 54.93 1su3 n ASP 433 Cb 0.51 -4.95 0.00 0.00 -0.02 0.00 0.00 41.12 36.66 1su3 n ASP 433 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1su3 n GLY 434 N -1.80 1.16 3.90 0.44 0.00 -1.26 -5.00 105.19 102.62 1su3 n GLY 434 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1su3 n GLY 434 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1su3 s PHE 435 N -2.90 3.47 -0.26 1.61 0.08 -1.05 -4.45 117.98 114.49 1su3 s PHE 435 Ca 0.00 0.60 -0.10 0.00 0.12 0.00 0.00 56.93 57.55 1su3 s PHE 435 Cb 0.00 -2.05 -0.05 0.00 -0.57 0.00 0.00 43.02 40.36 1su3 s PHE 435 CO 0.00 0.36 0.16 -0.06 -0.10 0.00 0.00 175.22 175.59 1su3 s PHE 436 N -1.76 3.26 -0.51 0.36 2.99 0.06 -2.17 117.98 120.21 1su3 s PHE 436 Ca 0.42 0.13 -0.11 0.00 0.00 0.00 0.00 56.93 57.38 1su3 s PHE 436 Cb -0.12 -2.31 0.13 0.00 0.00 0.00 0.00 43.02 40.72 1su3 s PHE 436 CO 0.25 -0.06 0.40 0.71 -0.00 0.00 0.00 175.22 176.52 1su3 s TYR 437 N 1.38 3.41 0.04 0.36 1.51 -0.23 -0.31 117.35 123.50 1su3 s TYR 437 Ca 0.07 -1.79 -0.17 0.00 -1.01 0.00 0.00 57.07 54.17 1su3 s TYR 437 Cb -0.15 -3.57 -0.06 0.00 -0.11 0.00 0.00 41.96 38.07 1su3 s TYR 437 CO 0.07 -1.00 0.50 -0.06 -1.11 0.00 0.00 175.55 173.95 1su3 s PHE 438 N 1.31 3.77 -0.05 2.71 0.08 -0.12 -2.48 117.98 123.19 1su3 s PHE 438 Ca 0.06 1.14 0.06 0.00 0.12 0.00 0.00 56.93 58.32 1su3 s PHE 438 Cb -0.26 -2.41 -0.01 0.00 -0.57 0.00 0.00 43.02 39.77 1su3 s PHE 438 CO -0.00 0.60 -0.25 -0.06 -0.10 0.00 0.00 175.22 175.41 1su3 s PHE 439 N -1.05 2.38 -0.27 0.36 0.40 0.01 -0.12 117.98 119.68 1su3 s PHE 439 Ca 0.27 -0.67 -0.00 0.00 -0.60 0.00 0.00 56.93 55.92 1su3 s PHE 439 Cb -0.18 -1.56 0.16 0.00 0.51 0.00 0.00 43.02 41.95 1su3 s PHE 439 CO 0.16 -0.19 0.46 -1.58 0.70 0.00 0.00 175.22 174.77 1su3 s HIS 440 N -0.22 -1.15 0.00 0.36 2.46 -0.38 -1.38 115.29 114.98 1su3 s HIS 440 Ca -0.02 0.94 0.00 0.00 0.47 0.00 0.00 55.06 56.45 1su3 s HIS 440 Cb -0.13 0.13 0.00 0.00 -0.13 0.00 0.00 32.58 32.45 1su3 s HIS 440 CO 0.03 -0.86 0.00 0.41 -2.47 0.00 0.00 174.74 171.85 1su3 n GLY 441 N 5.38 3.04 0.35 1.59 0.00 -1.26 -2.16 105.19 112.13 1su3 n GLY 441 Ca -0.01 -0.25 0.02 0.00 0.00 0.00 0.00 46.02 45.78 1su3 n GLY 441 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1su3 n THR 442 N 0.00 0.25 -4.83 2.61 -2.24 -1.26 -4.54 114.28 104.27 1su3 n THR 442 Ca 0.00 -0.21 -0.33 0.00 -2.27 0.00 0.00 64.05 61.24 1su3 n THR 442 Cb 0.00 0.02 -0.14 0.00 -2.10 0.00 0.00 70.33 68.11 1su3 n THR 442 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1su3 s ARG 443 N -1.74 3.23 -0.21 -0.78 0.52 -0.92 -1.36 118.95 117.70 1su3 s ARG 443 Ca 0.10 -0.70 -0.03 0.00 -0.52 0.00 0.00 55.73 54.59 1su3 s ARG 443 Cb 0.06 -2.57 -0.00 0.00 0.52 0.00 0.00 34.95 32.96 1su3 s ARG 443 CO 0.06 0.27 -0.08 -1.14 0.02 0.00 0.00 175.30 174.43 1su3 s GLN 444 N 0.19 3.28 -0.23 3.54 0.74 0.56 -1.25 119.66 126.50 1su3 s GLN 444 Ca -0.08 -0.68 -0.08 0.00 0.05 0.00 0.00 55.36 54.57 1su3 s GLN 444 Cb -0.15 -2.89 -0.04 0.00 1.10 0.00 0.00 33.01 31.03 1su3 s GLN 444 CO 0.05 -0.19 0.09 0.71 -0.55 0.00 0.00 175.29 175.41 1su3 s TYR 445 N 1.40 3.19 -0.45 1.67 1.51 0.84 -1.26 117.35 124.23 1su3 s TYR 445 Ca 0.05 -0.09 -0.19 0.00 -1.01 0.00 0.00 57.07 55.83 1su3 s TYR 445 Cb -0.14 -2.20 0.03 0.00 -0.11 0.00 0.00 41.96 39.54 1su3 s TYR 445 CO -0.05 -0.09 0.59 0.21 -1.11 0.00 0.00 175.55 175.09 1su3 s LYS 446 N 1.12 3.18 -0.13 -0.62 2.20 -0.70 -0.95 119.74 123.84 1su3 s LYS 446 Ca 0.05 -0.62 0.02 0.00 -0.36 0.00 0.00 55.97 55.05 1su3 s LYS 446 Cb -0.14 -4.00 -0.00 0.00 -1.51 0.00 0.00 37.83 32.18 1su3 s LYS 446 CO 0.04 -1.03 -0.18 0.12 -0.36 0.00 0.00 175.35 173.93 1su3 s PHE 447 N 2.60 2.71 -0.27 4.03 2.19 0.57 -0.44 117.98 129.36 1su3 s PHE 447 Ca 0.18 -1.02 -0.20 0.00 0.33 0.00 0.00 56.93 56.21 1su3 s PHE 447 Cb -0.16 -1.82 -0.02 0.00 -1.31 0.00 0.00 43.02 39.71 1su3 s PHE 447 CO 0.16 -0.43 0.63 0.34 1.83 0.00 0.00 175.22 177.74 1su3 s ASP 448 N 0.60 6.55 0.44 6.13 3.68 -0.58 -0.76 116.67 132.73 1su3 s ASP 448 Ca -0.10 0.61 0.28 0.00 2.13 0.00 0.00 52.55 55.46 1su3 s ASP 448 Cb -0.16 -2.34 0.86 0.00 -1.45 0.00 0.00 42.92 39.83 1su3 s ASP 448 CO 0.03 -0.41 1.78 1.55 0.13 0.00 0.00 175.17 178.25 1su3 h PRO 449 N 8.00 0.00 -0.09 4.34 0.13 -1.89 -0.18 132.00 142.31 1su3 h PRO 449 Ca -0.27 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.77 1su3 h PRO 449 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1su3 h PRO 449 CO 0.78 0.00 -0.30 0.87 -0.23 0.00 0.00 178.00 179.13 1su3 h LYS 450 N 0.00 0.35 -0.01 0.86 1.57 -1.92 -3.34 116.57 114.09 1su3 h LYS 450 Ca 0.00 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1su3 h LYS 450 Cb 0.71 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1su3 h LYS 450 CO 0.00 0.89 -0.61 0.25 -0.57 0.00 0.00 179.45 179.41 1su3 n THR 451 N -4.44 0.00 -3.56 -0.16 -2.24 -1.24 -4.99 114.28 97.66 1su3 n THR 451 Ca -0.08 -0.20 -0.26 0.00 -2.27 0.00 0.00 64.05 61.24 1su3 n THR 451 Cb 0.48 1.15 0.01 0.00 -2.10 0.00 0.00 70.33 69.88 1su3 n THR 451 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1su3 n LYS 452 N -0.57 -4.52 -4.32 -0.78 5.02 -0.09 -5.01 118.16 107.90 1su3 n LYS 452 Ca 0.07 0.59 -0.31 0.00 -2.02 0.00 0.00 58.31 56.64 1su3 n LYS 452 Cb 0.38 -5.41 -0.10 0.00 -0.02 0.00 0.00 35.03 29.89 1su3 n LYS 452 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1su3 s ARG 453 N -6.24 2.43 -0.47 1.97 0.52 -1.18 -4.67 118.95 111.30 1su3 s ARG 453 Ca 0.51 -0.84 -0.26 0.00 -0.52 0.00 0.00 55.73 54.62 1su3 s ARG 453 Cb -0.26 -2.45 0.03 0.00 0.52 0.00 0.00 34.95 32.79 1su3 s ARG 453 CO 0.62 0.56 0.95 0.42 0.02 0.00 0.00 175.30 177.88 1su3 s ILE 454 N -1.13 4.43 -0.03 1.52 1.01 -1.26 -1.52 121.20 124.21 1su3 s ILE 454 Ca 0.20 0.75 -0.13 0.00 0.00 0.00 0.00 60.65 61.47 1su3 s ILE 454 Cb -0.11 -4.47 -0.07 0.00 0.01 0.00 0.00 42.46 37.82 1su3 s ILE 454 CO 0.12 -0.89 0.61 -0.07 0.00 0.00 0.00 174.94 174.71 1su3 h LEU 455 N 10.70 -0.41 -8.76 2.97 4.07 -1.14 -3.48 115.31 119.26 1su3 h LEU 455 Ca -0.24 0.01 -0.37 0.00 0.08 0.00 0.00 57.88 57.36 1su3 h LEU 455 Cb 1.07 0.10 -0.14 0.00 1.08 0.00 0.00 40.66 42.77 1su3 h LEU 455 CO 1.05 -0.04 -0.71 0.42 -1.08 0.00 0.00 178.44 178.07 1su3 s THR 456 N -3.14 1.31 -0.19 0.22 -4.23 -1.24 -5.01 115.64 103.36 1su3 s THR 456 Ca -0.07 -2.10 -0.05 0.00 -1.18 0.00 0.00 61.69 58.30 1su3 s THR 456 Cb 0.01 -1.99 0.06 0.00 1.34 0.00 0.00 72.50 71.92 1su3 s THR 456 CO 0.21 -0.63 0.08 -0.22 -0.54 0.00 0.00 174.62 173.52 1su3 s LEU 457 N -3.23 0.51 0.44 4.79 2.96 -1.26 -1.71 118.68 121.17 1su3 s LEU 457 Ca 0.20 -0.71 0.03 0.00 -0.22 0.00 0.00 54.13 53.43 1su3 s LEU 457 Cb 0.02 -0.31 -0.03 0.00 0.50 0.00 0.00 46.19 46.37 1su3 s LEU 457 CO 0.04 -0.35 0.06 -1.10 -1.32 0.00 0.00 176.35 173.68 1su3 s GLN 458 N 2.09 2.01 0.78 1.98 -0.21 -0.39 -4.95 119.66 120.97 1su3 s GLN 458 Ca 0.02 -2.24 -0.13 0.00 0.02 0.00 0.00 55.36 53.03 1su3 s GLN 458 Cb -0.16 -1.10 0.07 0.00 1.00 0.00 0.00 33.01 32.82 1su3 s GLN 458 CO -0.11 -0.37 1.17 0.15 -2.12 0.00 0.00 175.29 174.01 1su3 s LYS 459 N -3.80 1.92 0.39 2.91 -0.14 -1.26 -0.32 119.74 119.45 1su3 s LYS 459 Ca 0.19 1.59 0.11 0.00 -1.36 0.00 0.00 55.97 56.50 1su3 s LYS 459 Cb 0.03 -1.83 0.81 0.00 -1.68 0.00 0.00 37.83 35.17 1su3 s LYS 459 CO 0.10 -1.96 1.91 0.00 -0.76 0.00 0.00 175.35 174.63 1su3 h ALA 460 N -0.78 1.51 -0.28 5.17 0.00 -1.47 -2.75 119.26 120.66 1su3 h ALA 460 Ca -0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 1su3 h ALA 460 Cb 1.28 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1su3 h ALA 460 CO 0.48 0.35 0.01 0.27 0.00 0.00 0.00 179.25 180.36 1su3 n ASN 461 N -4.24 3.26 0.21 0.00 6.94 -1.26 -4.52 115.26 115.64 1su3 n ASN 461 Ca -0.01 -2.45 0.09 0.00 -0.02 0.00 0.00 54.58 52.19 1su3 n ASN 461 Cb 0.30 -0.59 0.38 0.00 -2.36 0.00 0.00 39.78 37.51 1su3 n ASN 461 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1su3 h SER 462 N 1.87 0.00 0.55 0.53 4.64 -1.85 -2.60 113.55 116.68 1su3 h SER 462 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1su3 h SER 462 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1su3 h SER 462 CO 0.24 0.25 0.00 0.79 -0.87 0.00 0.00 176.83 177.24 1su3 n TRP 463 N -3.34 0.36 -3.51 4.77 7.02 -1.26 -4.80 117.44 116.68 1su3 n TRP 463 Ca 0.01 0.15 -0.33 0.00 -1.02 0.00 0.00 57.50 56.31 1su3 n TRP 463 Cb 0.48 -0.74 -0.05 0.00 -2.42 0.00 0.00 31.31 28.58 1su3 n TRP 463 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1su3 s PHE 464 N -3.15 3.48 -1.14 -5.99 0.08 -0.98 -4.92 117.98 105.35 1su3 s PHE 464 Ca 0.05 0.79 -0.21 0.00 0.12 0.00 0.00 56.93 57.68 1su3 s PHE 464 Cb 0.09 -2.18 0.06 0.00 -0.57 0.00 0.00 43.02 40.41 1su3 s PHE 464 CO 0.30 0.37 1.58 -0.80 -0.10 0.00 0.00 175.22 176.57 1su3 s ASN 465 N -2.23 6.64 0.00 1.36 0.02 -1.13 -5.09 114.94 114.51 1su3 s ASN 465 Ca 0.42 -1.89 0.04 0.00 -1.02 0.00 0.00 52.86 50.42 1su3 s ASN 465 Cb -0.12 -2.57 0.03 0.00 0.02 0.00 0.00 41.25 38.61 1su3 s ASN 465 CO 0.21 -1.37 0.64 0.00 0.02 0.00 0.00 177.10 176.60