#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n52 n THR 27 N 0.00 -0.30 -0.31 6.31 -2.24 -1.26 0.18 114.28 116.66 1n52 n THR 27 Ca 0.00 1.41 -0.05 0.00 -2.27 0.00 0.00 64.05 63.14 1n52 n THR 27 Cb 0.00 -1.89 -0.01 0.00 -2.10 0.00 0.00 70.33 66.33 1n52 n THR 27 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1n52 h GLU 28 N 0.00 -0.09 -0.40 -0.78 4.39 -2.04 0.68 114.58 116.34 1n52 h GLU 28 Ca 0.24 0.01 0.06 0.00 0.34 0.00 0.00 59.36 60.00 1n52 h GLU 28 Cb 0.39 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 1n52 h GLU 28 CO -0.61 -0.06 0.08 0.22 -1.16 0.00 0.00 179.01 177.48 1n52 h ASP 29 N -0.09 0.00 -0.60 1.42 1.82 0.14 -2.67 116.42 116.44 1n52 h ASP 29 Ca 0.25 0.07 -0.03 0.00 -0.39 0.00 0.00 57.03 56.93 1n52 h ASP 29 Cb 0.55 0.09 -0.03 0.00 0.68 0.00 0.00 39.33 40.62 1n52 h ASP 29 CO -0.85 0.04 0.29 0.45 -1.61 0.00 0.00 179.24 177.56 1n52 h HIS 30 N 0.20 0.90 0.90 0.28 3.86 -0.04 -2.09 115.15 119.16 1n52 h HIS 30 Ca 0.19 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.32 1n52 h HIS 30 Cb 0.23 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1n52 h HIS 30 CO -0.20 0.67 -0.49 -0.07 0.86 0.00 0.00 177.93 178.70 1n52 h LEU 31 N 0.90 -1.20 -1.20 2.43 3.38 -0.77 -0.04 115.31 118.80 1n52 h LEU 31 Ca 0.22 0.05 0.18 0.00 0.09 0.00 0.00 57.88 58.42 1n52 h LEU 31 Cb 0.11 0.33 -0.09 0.00 0.09 0.00 0.00 40.66 41.11 1n52 h LEU 31 CO -0.03 -0.79 0.61 1.05 0.09 0.00 0.00 178.44 179.37 1n52 h GLU 32 N -1.28 0.65 0.41 1.13 4.11 -1.47 0.17 114.58 118.30 1n52 h GLU 32 Ca -0.12 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.25 1n52 h GLU 32 Cb 1.01 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1n52 h GLU 32 CO 0.17 0.43 -0.19 1.03 0.07 0.00 0.00 179.01 180.51 1n52 h SER 33 N 0.67 -0.46 -0.49 3.06 0.87 -0.92 -2.65 113.55 113.63 1n52 h SER 33 Ca 0.52 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 61.05 1n52 h SER 33 Cb 0.92 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.97 1n52 h SER 33 CO -0.28 -0.30 0.23 -0.07 -0.53 0.00 0.00 176.83 175.88 1n52 h LEU 34 N -0.58 0.65 -1.42 2.23 3.38 0.37 -1.39 115.31 118.54 1n52 h LEU 34 Ca -0.06 -0.14 0.18 0.00 0.09 0.00 0.00 57.88 57.96 1n52 h LEU 34 Cb 0.44 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1n52 h LEU 34 CO 0.09 0.60 0.58 0.40 0.09 0.00 0.00 178.44 180.20 1n52 h ILE 35 N 0.65 0.74 0.12 1.22 1.08 -0.68 -1.16 117.51 119.48 1n52 h ILE 35 Ca 0.17 -0.18 -0.30 0.00 -0.39 0.00 0.00 64.86 64.16 1n52 h ILE 35 Cb 0.13 0.18 0.03 0.00 -3.07 0.00 0.00 36.82 34.09 1n52 h ILE 35 CO -0.02 0.09 -1.25 0.00 -0.69 0.00 0.00 178.15 176.29 1n52 h LYS 37 N 0.26 0.19 -0.22 0.00 6.56 -0.11 -1.37 116.57 121.88 1n52 h LYS 37 Ca -0.18 -0.01 0.04 0.00 -1.06 0.00 0.00 60.65 59.44 1n52 h LYS 37 Cb 1.92 -0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 33.50 1n52 h LYS 37 CO 0.24 0.12 -0.06 -0.39 -2.06 0.00 0.00 179.45 177.30 1n52 h VAL 38 N 0.19 0.77 -0.96 0.50 -1.51 -1.66 -1.91 116.25 111.68 1n52 h VAL 38 Ca 0.44 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.92 1n52 h VAL 38 Cb 0.79 0.77 -0.05 0.00 -2.13 0.00 0.00 31.29 30.68 1n52 h VAL 38 CO -0.59 0.00 0.63 1.23 -1.23 0.00 0.00 177.57 177.61 1n52 h GLY 39 N -0.00 1.35 -1.17 5.19 0.00 -1.45 -3.44 103.07 103.55 1n52 h GLY 39 Ca 0.11 -0.50 -0.49 0.00 0.00 0.00 0.00 47.33 46.45 1n52 h GLY 39 CO -0.23 0.47 0.23 -0.54 0.00 0.00 0.00 176.54 176.48 1n52 s GLU 40 N -6.05 1.17 -0.29 4.80 2.02 -0.63 -4.92 118.70 114.80 1n52 s GLU 40 Ca -0.13 1.03 -0.29 0.00 0.02 0.00 0.00 54.97 55.61 1n52 s GLU 40 Cb 0.18 -1.78 -0.02 0.00 0.10 0.00 0.00 34.13 32.61 1n52 s GLU 40 CO 0.81 -2.36 1.64 -1.59 0.02 0.00 0.00 175.26 173.78 1n52 s LYS 41 N -4.82 3.61 0.43 1.61 -2.85 -1.26 -4.96 119.74 111.50 1n52 s LYS 41 Ca 0.64 1.47 -0.05 0.00 -1.00 0.00 0.00 55.97 57.03 1n52 s LYS 41 Cb -0.19 -4.09 0.10 0.00 -2.06 0.00 0.00 37.83 31.59 1n52 s LYS 41 CO 0.58 -1.52 0.59 -1.13 0.10 0.00 0.00 175.35 173.97 1n52 n SER 42 N 9.11 0.26 -1.31 0.03 3.41 -1.26 -5.02 113.62 118.83 1n52 n SER 42 Ca 0.20 -1.34 0.02 0.00 -0.26 0.00 0.00 58.87 57.49 1n52 n SER 42 Cb 0.46 -0.43 0.09 0.00 -0.26 0.00 0.00 64.21 64.08 1n52 n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n52 n ALA 43 N -3.26 3.07 -3.58 7.33 0.00 -1.26 -4.98 120.51 117.83 1n52 n ALA 43 Ca -0.10 -2.85 -0.02 0.00 0.00 0.00 0.00 53.44 50.47 1n52 n ALA 43 Cb 0.28 -0.57 -0.06 0.00 0.00 0.00 0.00 19.45 19.10 1n52 n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n52 n SER 45 N 4.20 0.43 -0.34 0.00 3.41 -1.26 -4.65 113.62 115.41 1n52 n SER 45 Ca -0.16 0.57 0.16 0.00 -0.26 0.00 0.00 58.87 59.19 1n52 n SER 45 Cb 0.56 -0.43 0.32 0.00 -0.26 0.00 0.00 64.21 64.39 1n52 n SER 45 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1n52 n LEU 46 N 1.61 -0.07 -0.22 1.04 7.94 -1.26 0.10 117.00 126.14 1n52 n LEU 46 Ca 0.14 1.66 0.11 0.00 -1.11 0.00 0.00 56.01 56.80 1n52 n LEU 46 Cb -0.01 -0.63 0.39 0.00 0.53 0.00 0.00 43.42 43.71 1n52 n LEU 46 CO 0.40 -1.70 1.22 -0.33 -1.11 0.00 0.00 177.39 175.87 1n52 h GLU 47 N 0.00 0.64 0.48 1.96 3.07 -1.96 -1.05 114.58 117.72 1n52 h GLU 47 Ca 0.62 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.42 1n52 h GLU 47 Cb 1.32 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 1n52 h GLU 47 CO -0.91 0.42 -0.23 0.77 -1.40 0.00 0.00 179.01 177.67 1n52 h SER 48 N 0.66 -0.55 -0.64 1.42 0.02 -0.65 -0.85 113.55 112.96 1n52 h SER 48 Ca 0.39 -0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.40 1n52 h SER 48 Cb 0.58 0.14 -0.07 0.00 0.14 0.00 0.00 62.40 63.19 1n52 h SER 48 CO -0.15 -0.31 0.27 0.78 -1.14 0.00 0.00 176.83 176.27 1n52 h ASN 49 N -0.75 0.29 0.25 3.07 4.21 -1.32 0.21 115.58 121.53 1n52 h ASN 49 Ca -0.07 0.07 -0.04 0.00 1.21 0.00 0.00 56.30 57.48 1n52 h ASN 49 Cb 0.55 0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.78 1n52 h ASN 49 CO 0.11 0.17 -0.20 -0.07 -1.29 0.00 0.00 177.43 176.14 1n52 h LEU 50 N 0.46 0.00 0.45 1.61 3.38 -1.11 0.13 115.31 120.24 1n52 h LEU 50 Ca 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 1n52 h LEU 50 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1n52 h LEU 50 CO -0.30 0.20 -0.22 -0.08 0.09 0.00 0.00 178.44 178.14 1n52 h GLU 51 N 0.00 -0.58 0.00 1.13 4.57 0.75 -2.51 114.58 117.94 1n52 h GLU 51 Ca -0.00 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1n52 h GLU 51 Cb 0.38 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1n52 h GLU 51 CO 0.03 -0.28 0.00 0.41 -1.18 0.00 0.00 179.01 177.99 1n52 n GLY 52 N -0.30 -2.58 0.65 1.92 0.00 0.43 -2.40 105.19 102.91 1n52 n GLY 52 Ca -0.10 0.07 0.48 0.00 0.00 0.00 0.00 46.02 46.48 1n52 n GLY 52 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1n52 h LEU 53 N 0.00 0.03 0.52 0.99 5.85 -0.90 0.20 115.31 122.00 1n52 h LEU 53 Ca 0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1n52 h LEU 53 Cb 0.00 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1n52 h LEU 53 CO 0.00 -0.03 -0.46 0.00 -0.34 0.00 0.00 178.44 177.61 1n52 h ALA 54 N 1.16 -1.05 0.63 1.25 0.00 -1.08 -0.94 119.26 119.22 1n52 h ALA 54 Ca 0.86 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.56 1n52 h ALA 54 Cb 3.37 0.64 0.01 0.00 0.00 0.00 0.00 17.79 21.80 1n52 h ALA 54 CO -0.07 -1.13 -0.30 0.78 0.00 0.00 0.00 179.25 178.53 1n52 h GLY 55 N -0.97 -0.88 -0.91 0.00 0.00 -0.55 -2.39 103.07 97.37 1n52 h GLY 55 Ca -0.06 0.33 0.20 0.00 0.00 0.00 0.00 47.33 47.79 1n52 h GLY 55 CO -0.03 -0.32 -0.17 -0.62 0.00 0.00 0.00 176.54 175.40 1n52 n VAL 56 N -5.41 -0.38 -0.02 4.60 0.31 -0.88 0.16 118.33 116.71 1n52 n VAL 56 Ca -0.13 2.06 -0.04 0.00 -0.01 0.00 0.00 64.34 66.23 1n52 n VAL 56 Cb 0.36 -2.89 0.19 0.00 -0.91 0.00 0.00 33.84 30.59 1n52 n VAL 56 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1n52 h LEU 57 N 0.00 0.56 -0.22 7.52 3.38 -1.05 -2.41 115.31 123.09 1n52 h LEU 57 Ca 0.46 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 1n52 h LEU 57 Cb 0.76 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1n52 h LEU 57 CO -0.92 0.75 -0.08 -0.08 0.09 0.00 0.00 178.44 178.21 1n52 h GLU 58 N 0.52 0.45 -0.64 1.13 4.81 0.21 -2.33 114.58 118.72 1n52 h GLU 58 Ca 0.09 -0.18 0.16 0.00 -0.13 0.00 0.00 59.36 59.30 1n52 h GLU 58 Cb 0.59 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1n52 h GLU 58 CO 0.04 0.70 0.45 0.00 -0.73 0.00 0.00 179.01 179.47 1n52 h ALA 59 N 0.73 2.42 -0.01 2.92 0.00 -0.30 -0.64 119.26 124.37 1n52 h ALA 59 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1n52 h ALA 59 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1n52 h ALA 59 CO 0.03 -0.60 -0.24 -0.25 0.00 0.00 0.00 179.25 178.19 1n52 n ASP 60 N -4.40 1.68 -0.34 0.00 10.43 -0.93 -4.36 116.55 118.63 1n52 n ASP 60 Ca 0.12 -1.34 0.05 0.00 2.57 0.00 0.00 54.79 56.20 1n52 n ASP 60 Cb 0.62 0.19 0.23 0.00 1.84 0.00 0.00 41.12 44.01 1n52 n ASP 60 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1n52 h LEU 61 N 2.26 0.94 0.00 0.64 3.38 -0.56 0.71 115.31 122.68 1n52 h LEU 61 Ca 0.00 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1n52 h LEU 61 Cb 0.65 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 1n52 h LEU 61 CO 0.00 0.55 -0.54 -0.65 0.09 0.00 0.00 178.44 177.90 1n52 h PRO 62 N 1.04 -0.65 0.19 1.13 0.11 -1.76 -2.86 132.00 129.19 1n52 h PRO 62 Ca 0.45 0.04 -0.31 0.00 0.11 0.00 0.00 66.00 66.29 1n52 h PRO 62 Cb 0.34 0.15 0.02 0.00 0.11 0.00 0.00 31.00 31.61 1n52 h PRO 62 CO -0.20 -0.43 -1.50 -0.91 -0.21 0.00 0.00 178.00 174.74 1n52 h ASN 63 N -0.67 0.61 -2.45 -2.05 4.21 -1.82 -3.40 115.58 110.01 1n52 h ASN 63 Ca 0.01 -0.92 -0.71 0.00 1.21 0.00 0.00 56.30 55.89 1n52 h ASN 63 Cb 0.72 -0.20 -0.34 0.00 -1.12 0.00 0.00 38.32 37.38 1n52 h ASN 63 CO -0.36 1.69 0.20 -1.22 -1.29 0.00 0.00 177.43 176.45 1n52 n TYR 64 N -3.76 3.09 -0.07 1.19 4.01 0.25 -4.76 117.16 117.11 1n52 n TYR 64 Ca -0.22 -3.27 -0.20 0.00 -0.16 0.00 0.00 57.90 54.06 1n52 n TYR 64 Cb 1.02 -0.91 -0.12 0.00 -0.31 0.00 0.00 39.34 39.02 1n52 n TYR 64 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1n52 h LYS 65 N 4.33 0.06 -0.38 -0.72 3.64 -1.67 -3.28 116.57 118.54 1n52 h LYS 65 Ca 0.26 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1n52 h LYS 65 Cb 0.54 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 1n52 h LYS 65 CO 1.07 1.05 0.21 0.77 -2.27 0.00 0.00 179.45 180.28 1n52 h SER 66 N -0.83 0.34 0.53 4.20 0.02 -1.88 -0.83 113.55 115.09 1n52 h SER 66 Ca -0.24 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.69 1n52 h SER 66 Cb 1.33 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.81 1n52 h SER 66 CO -0.09 0.25 -0.26 0.50 -1.14 0.00 0.00 176.83 176.09 1n52 h LYS 67 N 0.43 -0.69 -0.34 3.45 1.63 -1.93 0.74 116.57 119.86 1n52 h LYS 67 Ca 0.15 0.05 0.07 0.00 -0.85 0.00 0.00 60.65 60.07 1n52 h LYS 67 Cb 0.02 0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 1n52 h LYS 67 CO -0.08 -0.43 0.24 0.82 -3.45 0.00 0.00 179.45 176.55 1n52 h ILE 68 N -0.78 0.90 -0.05 2.00 2.04 -1.61 0.65 117.51 120.65 1n52 h ILE 68 Ca -0.07 -0.05 -0.15 0.00 1.00 0.00 0.00 64.86 65.59 1n52 h ILE 68 Cb 0.58 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1n52 h ILE 68 CO 0.12 0.03 -0.62 0.25 0.00 0.00 0.00 178.15 177.93 1n52 h LEU 69 N 0.15 0.23 0.12 1.44 5.85 -0.73 -2.70 115.31 119.66 1n52 h LEU 69 Ca 0.16 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1n52 h LEU 69 Cb 0.43 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1n52 h LEU 69 CO -0.02 0.79 -0.06 0.03 -0.34 0.00 0.00 178.44 178.84 1n52 h ARG 70 N 0.15 -0.16 -0.88 1.25 -0.00 0.20 -3.08 114.38 111.86 1n52 h ARG 70 Ca -0.01 0.01 0.21 0.00 -0.50 0.00 0.00 59.98 59.69 1n52 h ARG 70 Cb 1.13 0.04 -0.12 0.00 0.00 0.00 0.00 29.97 31.01 1n52 h ARG 70 CO 0.09 0.26 0.38 -0.07 0.00 0.00 0.00 179.97 180.63 1n52 h LEU 71 N -0.94 0.33 -0.37 3.04 3.38 0.03 -0.97 115.31 119.81 1n52 h LEU 71 Ca -0.02 0.15 -0.17 0.00 0.09 0.00 0.00 57.88 57.93 1n52 h LEU 71 Cb 0.49 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1n52 h LEU 71 CO 0.03 0.02 -0.45 -0.07 0.09 0.00 0.00 178.44 178.05 1n52 h LEU 72 N 0.41 0.97 -1.80 1.67 3.38 -1.60 -1.52 115.31 116.83 1n52 h LEU 72 Ca 0.54 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1n52 h LEU 72 Cb 0.99 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1n52 h LEU 72 CO -0.51 1.27 -0.12 0.00 0.09 0.00 0.00 178.44 179.18 1n52 h THR 74 N 0.00 0.51 -0.02 0.00 2.02 -0.95 -3.15 112.91 111.32 1n52 h THR 74 Ca -0.00 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 65.87 1n52 h THR 74 Cb 0.40 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1n52 h THR 74 CO 0.02 0.17 0.26 -0.37 0.37 0.00 0.00 175.52 175.96 1n52 h VAL 75 N -1.00 0.02 -0.07 3.16 -1.51 -1.21 0.13 116.25 115.78 1n52 h VAL 75 Ca -0.01 0.00 -0.21 0.00 -1.23 0.00 0.00 66.70 65.26 1n52 h VAL 75 Cb 0.32 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 30.22 1n52 h VAL 75 CO 0.01 0.00 -0.82 0.00 -1.23 0.00 0.00 177.57 175.53 1n52 h ALA 76 N 1.50 0.45 -0.01 5.19 0.00 -1.37 -1.34 119.26 123.68 1n52 h ALA 76 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1n52 h ALA 76 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1n52 h ALA 76 CO -0.00 0.76 -0.46 2.89 0.00 0.00 0.00 179.25 182.44 1n52 n ARG 77 N -3.83 1.41 -0.00 0.00 1.85 0.27 -4.50 116.66 111.86 1n52 n ARG 77 Ca -0.06 -0.80 0.02 0.00 -1.00 0.00 0.00 57.85 56.01 1n52 n ARG 77 Cb 0.76 -1.37 -0.02 0.00 -1.05 0.00 0.00 32.46 30.78 1n52 n ARG 77 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1n52 n LEU 78 N -0.23 0.07 -2.36 2.89 4.77 -0.14 -4.76 117.00 117.24 1n52 n LEU 78 Ca 0.07 -0.22 -0.25 0.00 -0.03 0.00 0.00 56.01 55.59 1n52 n LEU 78 Cb 0.39 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.49 1n52 n LEU 78 CO 0.26 0.02 0.17 0.18 -1.33 0.00 0.00 177.39 176.68 1n52 n LEU 79 N -1.38 4.57 -0.34 2.23 4.77 -0.51 -4.87 117.00 121.46 1n52 n LEU 79 Ca -0.00 -4.96 0.21 0.00 -0.03 0.00 0.00 56.01 51.22 1n52 n LEU 79 Cb 0.07 -0.36 0.45 0.00 -2.33 0.00 0.00 43.42 41.25 1n52 n LEU 79 CO 0.07 2.14 1.18 1.55 -1.33 0.00 0.00 177.39 181.01 1n52 h PRO 80 N 2.48 0.46 0.00 3.23 0.13 -1.79 0.58 132.00 137.08 1n52 h PRO 80 Ca 0.29 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.40 1n52 h PRO 80 Cb 1.13 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1n52 h PRO 80 CO 0.79 0.30 0.00 -0.85 -0.23 0.00 0.00 178.00 178.02 1n52 n GLU 81 N -4.81 0.01 -0.03 0.86 0.00 -1.26 0.18 120.64 115.59 1n52 n GLU 81 Ca 0.27 0.33 0.02 0.00 0.00 0.00 0.00 57.16 57.79 1n52 n GLU 81 Cb 0.84 -1.50 0.04 0.00 0.00 0.00 0.00 31.44 30.82 1n52 n GLU 81 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1n52 n LYS 82 N -1.34 1.10 -0.10 3.44 4.01 0.20 -4.88 118.16 120.59 1n52 n LYS 82 Ca 0.00 -1.20 -0.02 0.00 -0.51 0.00 0.00 58.31 56.59 1n52 n LYS 82 Cb 0.01 -1.10 -0.01 0.00 -0.51 0.00 0.00 35.03 33.42 1n52 n LYS 82 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1n52 n LEU 83 N 0.12 -0.22 0.23 -0.35 7.94 0.13 0.08 117.00 124.91 1n52 n LEU 83 Ca 0.04 0.44 0.14 0.00 -1.11 0.00 0.00 56.01 55.51 1n52 n LEU 83 Cb 0.21 -0.08 0.33 0.00 0.53 0.00 0.00 43.42 44.42 1n52 n LEU 83 CO 0.03 -0.37 0.87 0.71 -1.11 0.00 0.00 177.39 177.51 1n52 h THR 84 N 0.00 0.00 -0.09 1.96 1.35 -1.86 -2.34 112.91 111.94 1n52 h THR 84 Ca 0.06 -0.81 -0.18 0.00 -0.55 0.00 0.00 66.41 64.92 1n52 h THR 84 Cb 0.12 1.80 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1n52 h THR 84 CO -0.24 0.00 -0.72 0.40 -0.25 0.00 0.00 175.52 174.71 1n52 h ILE 85 N 0.00 1.37 0.00 6.82 2.04 -0.70 -3.05 117.51 123.99 1n52 h ILE 85 Ca 0.00 -2.11 -0.21 0.00 1.00 0.00 0.00 64.86 63.53 1n52 h ILE 85 Cb 0.83 2.09 -0.04 0.00 -0.74 0.00 0.00 36.82 38.97 1n52 h ILE 85 CO 0.00 0.64 -1.33 1.88 0.00 0.00 0.00 178.15 179.34 1n52 h TYR 86 N 0.30 0.00 -0.44 1.37 0.05 -1.50 -3.17 116.97 113.58 1n52 h TYR 86 Ca -0.03 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.71 1n52 h TYR 86 Cb 1.30 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.02 1n52 h TYR 86 CO 0.05 0.81 0.10 1.79 -1.05 0.00 0.00 178.16 179.86 1n52 h THR 87 N 0.00 1.24 0.04 -2.88 1.35 -1.50 -0.85 112.91 110.31 1n52 h THR 87 Ca -0.16 -0.83 0.02 0.00 -0.55 0.00 0.00 66.41 64.90 1n52 h THR 87 Cb 1.76 0.94 -0.05 0.00 -1.73 0.00 0.00 68.15 69.06 1n52 h THR 87 CO 0.08 0.29 -0.45 0.74 -0.25 0.00 0.00 175.52 175.93 1n52 h THR 88 N 0.58 0.11 -0.81 6.82 2.02 -1.63 -1.31 112.91 118.69 1n52 h THR 88 Ca 0.14 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.50 1n52 h THR 88 Cb 0.33 0.11 -0.11 0.00 -1.74 0.00 0.00 68.15 66.74 1n52 h THR 88 CO 0.00 0.00 0.28 0.25 0.37 0.00 0.00 175.52 176.43 1n52 h LEU 89 N -0.63 0.18 0.00 2.58 5.85 -1.44 1.82 115.31 123.67 1n52 h LEU 89 Ca 0.03 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1n52 h LEU 89 Cb 0.68 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1n52 h LEU 89 CO -0.30 -0.00 0.00 0.52 -0.34 0.00 0.00 178.44 178.31 1n52 n VAL 90 N -5.09 1.02 -0.07 1.05 0.31 -0.36 -2.24 118.33 112.95 1n52 n VAL 90 Ca 0.18 0.25 -0.05 0.00 -0.01 0.00 0.00 64.34 64.71 1n52 n VAL 90 Cb 0.54 -1.03 -0.02 0.00 -0.91 0.00 0.00 33.84 32.42 1n52 n VAL 90 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n52 n GLY 91 N -0.16 -0.95 0.44 2.92 0.00 0.60 -2.47 105.19 105.56 1n52 n GLY 91 Ca 0.04 -0.17 0.29 0.00 0.00 0.00 0.00 46.02 46.18 1n52 n GLY 91 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n52 h LEU 92 N -1.00 0.34 0.15 0.99 -0.00 -0.96 0.54 115.31 115.37 1n52 h LEU 92 Ca -0.00 0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 57.97 1n52 h LEU 92 Cb 0.51 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 1n52 h LEU 92 CO -0.00 -0.03 -0.07 -0.07 -0.00 0.00 0.00 178.44 178.27 1n52 h LEU 93 N 0.25 -0.17 -2.19 1.67 4.07 -1.61 -2.65 115.31 114.70 1n52 h LEU 93 Ca 0.68 -0.37 0.00 0.00 0.08 0.00 0.00 57.88 58.27 1n52 h LEU 93 Cb 1.96 0.04 -0.00 0.00 1.08 0.00 0.00 40.66 43.75 1n52 h LEU 93 CO -0.33 0.35 0.27 -1.13 -1.08 0.00 0.00 178.44 176.52 1n52 h ASN 94 N -0.76 0.00 -0.33 -0.43 -1.24 -0.17 0.94 115.58 113.58 1n52 h ASN 94 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.99 1n52 h ASN 94 Cb 0.53 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.58 1n52 h ASN 94 CO 0.03 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.17 1n52 n ALA 95 N -1.94 3.15 -1.61 1.57 0.00 0.15 -3.55 120.51 118.28 1n52 n ALA 95 Ca -0.02 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.41 1n52 n ALA 95 Cb 0.33 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1n52 n ALA 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n52 n ARG 96 N 0.40 0.00 -2.68 0.00 1.74 0.31 -5.01 116.66 111.43 1n52 n ARG 96 Ca 0.15 -0.07 -0.05 0.00 -0.77 0.00 0.00 57.85 57.12 1n52 n ARG 96 Cb 0.71 -0.20 0.06 0.00 -1.02 0.00 0.00 32.46 32.02 1n52 n ARG 96 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1n52 n ASN 97 N 0.00 -1.55 -0.33 0.55 4.05 -0.10 -5.03 115.26 112.85 1n52 n ASN 97 Ca 0.00 -1.72 -0.04 0.00 0.45 0.00 0.00 54.58 53.27 1n52 n ASN 97 Cb 0.33 0.84 -0.01 0.00 1.23 0.00 0.00 39.78 42.18 1n52 n ASN 97 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1n52 n TYR 98 N 1.87 -0.12 -0.06 1.20 9.36 -1.23 0.10 117.16 128.27 1n52 n TYR 98 Ca 0.05 1.02 0.24 0.00 3.32 0.00 0.00 57.90 62.54 1n52 n TYR 98 Cb 0.68 -0.72 0.72 0.00 -0.63 0.00 0.00 39.34 39.39 1n52 n TYR 98 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1n52 h ASN 99 N 0.00 0.00 0.37 2.98 2.35 -1.96 -1.49 115.58 117.83 1n52 h ASN 99 Ca 0.23 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 1n52 h ASN 99 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1n52 h ASN 99 CO -0.80 0.00 -0.18 0.15 -1.65 0.00 0.00 177.43 174.95 1n52 h PHE 100 N 0.00 -0.46 -1.00 1.19 3.57 0.31 -2.62 116.94 117.93 1n52 h PHE 100 Ca 0.32 -0.01 0.22 0.00 3.53 0.00 0.00 57.97 62.03 1n52 h PHE 100 Cb 1.35 0.15 -0.10 0.00 2.79 0.00 0.00 35.95 40.15 1n52 h PHE 100 CO 0.00 -0.14 0.63 0.78 -2.23 0.00 0.00 178.31 177.35 1n52 h GLY 101 N -0.96 1.43 1.95 2.40 0.00 -1.09 0.67 103.07 107.48 1n52 h GLY 101 Ca -0.05 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 1n52 h GLY 101 CO 0.08 -0.09 -0.26 -1.33 0.00 0.00 0.00 176.54 174.94 1n52 h GLY 102 N 0.56 0.06 0.92 4.60 0.00 -1.28 -0.44 103.07 107.48 1n52 h GLY 102 Ca 0.57 -0.04 -0.22 0.00 0.00 0.00 0.00 47.33 47.64 1n52 h GLY 102 CO -0.32 0.04 -0.89 0.83 0.00 0.00 0.00 176.54 176.19 1n52 h GLU 103 N 0.05 0.46 0.43 4.80 5.08 0.64 -2.45 114.58 123.59 1n52 h GLU 103 Ca 0.01 -0.60 -0.01 0.00 -1.00 0.00 0.00 59.36 57.75 1n52 h GLU 103 Cb 0.49 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1n52 h GLU 103 CO 0.04 1.24 -0.34 0.35 -1.00 0.00 0.00 179.01 179.30 1n52 h PHE 104 N -0.04 -0.90 -0.12 4.33 3.57 -0.74 -0.05 116.94 122.99 1n52 h PHE 104 Ca -0.13 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.40 1n52 h PHE 104 Cb 1.62 0.34 -0.00 0.00 2.79 0.00 0.00 35.95 40.69 1n52 h PHE 104 CO 0.15 -0.49 0.23 0.28 -2.23 0.00 0.00 178.31 176.25 1n52 h VAL 105 N -0.76 0.23 0.00 1.41 2.07 -1.17 0.95 116.25 118.99 1n52 h VAL 105 Ca -0.04 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.32 1n52 h VAL 105 Cb 0.65 0.80 0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1n52 h VAL 105 CO -0.01 0.00 -0.64 -0.33 0.02 0.00 0.00 177.57 176.61 1n52 h GLU 106 N 0.00 0.43 0.61 1.57 4.39 -0.62 -3.06 114.58 117.90 1n52 h GLU 106 Ca 0.06 -0.47 -0.03 0.00 0.34 0.00 0.00 59.36 59.26 1n52 h GLU 106 Cb 0.51 0.13 0.01 0.00 -0.10 0.00 0.00 28.75 29.30 1n52 h GLU 106 CO -0.00 1.13 -0.29 0.00 -1.16 0.00 0.00 179.01 178.68 1n52 h ALA 107 N 0.32 -0.82 -0.96 3.43 0.00 0.83 -2.55 119.26 119.50 1n52 h ALA 107 Ca -0.08 -0.20 0.26 0.00 0.00 0.00 0.00 54.91 54.89 1n52 h ALA 107 Cb 1.35 0.32 -0.18 0.00 0.00 0.00 0.00 17.79 19.29 1n52 h ALA 107 CO 0.13 -0.89 0.04 0.52 0.00 0.00 0.00 179.25 179.05 1n52 h MET 108 N -0.98 0.03 -0.45 0.00 2.86 -1.09 1.47 114.93 116.78 1n52 h MET 108 Ca -0.08 -0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.44 1n52 h MET 108 Cb 0.68 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 1n52 h MET 108 CO 0.14 0.02 -0.18 0.82 1.06 0.00 0.00 176.91 178.76 1n52 h ILE 109 N 0.03 1.27 -0.02 -1.22 1.08 -1.47 0.29 117.51 117.46 1n52 h ILE 109 Ca 0.58 -1.31 -0.00 0.00 -0.39 0.00 0.00 64.86 63.73 1n52 h ILE 109 Cb 1.18 1.11 -0.00 0.00 -3.07 0.00 0.00 36.82 36.04 1n52 h ILE 109 CO -0.88 0.45 -0.01 -0.09 -0.69 0.00 0.00 178.15 176.93 1n52 h ARG 110 N 0.78 0.04 -0.92 2.37 2.43 0.11 -0.64 114.38 118.55 1n52 h ARG 110 Ca 0.11 -0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.38 1n52 h ARG 110 Cb 0.72 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.20 1n52 h ARG 110 CO 0.06 0.41 0.59 0.37 -1.51 0.00 0.00 179.97 179.89 1n52 h GLN 111 N -0.34 0.82 -0.24 0.20 5.75 0.18 -1.44 115.11 120.04 1n52 h GLN 111 Ca 0.00 -0.05 -0.16 0.00 -0.15 0.00 0.00 58.65 58.29 1n52 h GLN 111 Cb 0.40 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 28.76 1n52 h GLN 111 CO 0.00 0.54 -0.51 1.25 -2.65 0.00 0.00 178.83 177.46 1n52 h LEU 112 N 0.85 0.75 -1.29 -2.39 5.85 -0.19 -2.48 115.31 116.39 1n52 h LEU 112 Ca 0.44 -0.38 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 1n52 h LEU 112 Cb 0.53 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1n52 h LEU 112 CO -0.21 1.12 -0.35 0.11 -0.34 0.00 0.00 178.44 178.77 1n52 h LYS 113 N 0.53 0.00 0.12 1.25 1.57 -0.11 -2.43 116.57 117.51 1n52 h LYS 113 Ca 0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1n52 h LYS 113 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1n52 h LYS 113 CO 0.10 0.35 -0.06 0.93 -0.57 0.00 0.00 179.45 180.21 1n52 h GLU 114 N 0.00 -0.16 -0.95 3.15 5.08 -1.20 -2.39 114.58 118.11 1n52 h GLU 114 Ca -0.00 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.52 1n52 h GLU 114 Cb 0.64 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.83 1n52 h GLU 114 CO 0.05 0.31 0.56 0.77 -1.00 0.00 0.00 179.01 179.70 1n52 h SER 115 N -0.78 0.75 -0.13 1.42 0.02 -1.40 -0.92 113.55 112.52 1n52 h SER 115 Ca -0.02 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1n52 h SER 115 Cb 0.55 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1n52 h SER 115 CO 0.03 0.34 0.03 -0.07 -1.14 0.00 0.00 176.83 176.01 1n52 h LEU 116 N 0.80 0.19 -1.63 5.07 3.38 -1.46 0.67 115.31 122.34 1n52 h LEU 116 Ca 0.51 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 1n52 h LEU 116 Cb 0.67 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1n52 h LEU 116 CO -0.33 0.37 -0.21 0.07 0.09 0.00 0.00 178.44 178.43 1n52 h LYS 117 N 0.00 0.00 -0.34 1.13 5.09 -0.83 -2.27 116.57 119.36 1n52 h LYS 117 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.78 1n52 h LYS 117 Cb 0.26 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.59 1n52 h LYS 117 CO 0.00 0.21 0.00 0.00 -2.09 0.00 0.00 179.45 177.57 1n52 n ALA 118 N -2.44 2.45 -1.84 0.07 0.00 -0.42 -4.92 120.51 113.41 1n52 n ALA 118 Ca -0.02 -0.60 -0.17 0.00 0.00 0.00 0.00 53.44 52.64 1n52 n ALA 118 Cb 0.28 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 18.71 1n52 n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1n52 n ASN 119 N 0.51 -5.10 -3.05 0.00 3.02 -0.85 -4.89 115.26 104.89 1n52 n ASN 119 Ca 0.12 0.25 -0.38 0.00 -0.03 0.00 0.00 54.58 54.54 1n52 n ASN 119 Cb 0.29 -4.16 0.02 0.00 -0.61 0.00 0.00 39.78 35.32 1n52 n ASN 119 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1n52 n ASN 120 N -1.02 7.36 -0.28 6.41 5.03 0.21 -4.78 115.26 128.19 1n52 n ASN 120 Ca -0.19 -3.65 0.20 0.00 0.87 0.00 0.00 54.58 51.81 1n52 n ASN 120 Cb 0.61 -1.14 0.50 0.00 -1.02 0.00 0.00 39.78 38.72 1n52 n ASN 120 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.26 177.31 1n52 h TYR 121 N 3.38 0.62 -0.12 3.10 0.05 -1.89 -0.86 116.97 121.25 1n52 h TYR 121 Ca 0.54 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 59.27 1n52 h TYR 121 Cb 0.23 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 1n52 h TYR 121 CO 1.29 0.13 -0.24 -0.91 -1.05 0.00 0.00 178.16 177.38 1n52 h ASN 122 N 0.43 0.20 0.10 3.88 2.35 -1.95 -2.04 115.58 118.55 1n52 h ASN 122 Ca 0.52 -0.06 -0.22 0.00 -0.55 0.00 0.00 56.30 55.99 1n52 h ASN 122 Cb 1.28 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 39.60 1n52 h ASN 122 CO -0.23 0.45 -0.85 -0.08 -1.65 0.00 0.00 177.43 175.07 1n52 h GLU 123 N 0.19 0.58 0.22 0.81 4.81 -1.53 -3.27 114.58 116.40 1n52 h GLU 123 Ca 0.03 -0.54 0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1n52 h GLU 123 Cb 0.54 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 1n52 h GLU 123 CO 0.04 1.16 -0.30 0.00 -0.73 0.00 0.00 179.01 179.18 1n52 h ALA 124 N 0.67 -0.57 -0.97 2.92 0.00 -0.94 -2.26 119.26 118.12 1n52 h ALA 124 Ca -0.07 -0.08 0.32 0.00 0.00 0.00 0.00 54.91 55.09 1n52 h ALA 124 Cb 1.47 0.45 -0.16 0.00 0.00 0.00 0.00 17.79 19.55 1n52 h ALA 124 CO 0.16 -0.86 0.40 0.28 0.00 0.00 0.00 179.25 179.22 1n52 h VAL 125 N -0.58 0.17 0.00 0.00 2.07 -1.44 1.52 116.25 118.00 1n52 h VAL 125 Ca 0.01 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 1n52 h VAL 125 Cb 0.56 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1n52 h VAL 125 CO -0.11 0.03 -0.33 1.88 0.02 0.00 0.00 177.57 179.06 1n52 h TYR 126 N 0.15 0.00 0.23 1.57 0.05 -1.49 0.73 116.97 118.21 1n52 h TYR 126 Ca 0.70 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.47 1n52 h TYR 126 Cb 1.64 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.38 1n52 h TYR 126 CO -0.15 0.33 -0.11 -0.07 -1.05 0.00 0.00 178.16 177.11 1n52 h LEU 127 N 0.00 -0.26 -1.88 3.88 3.38 0.23 -1.94 115.31 118.71 1n52 h LEU 127 Ca -0.00 0.01 0.37 0.00 0.09 0.00 0.00 57.88 58.35 1n52 h LEU 127 Cb 0.59 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 1n52 h LEU 127 CO 0.04 0.15 0.91 0.58 0.09 0.00 0.00 178.44 180.21 1n52 h VAL 128 N -0.97 0.35 0.00 1.22 2.07 -0.67 1.05 116.25 119.30 1n52 h VAL 128 Ca -0.03 -0.02 -0.13 0.00 0.82 0.00 0.00 66.70 67.34 1n52 h VAL 128 Cb 0.24 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1n52 h VAL 128 CO 0.05 0.01 -0.91 -0.09 0.02 0.00 0.00 177.57 176.65 1n52 h ARG 129 N 0.06 0.00 -0.06 1.57 2.43 -0.89 -2.87 114.38 114.61 1n52 h ARG 129 Ca 0.63 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 59.56 1n52 h ARG 129 Cb 2.39 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 31.96 1n52 h ARG 129 CO -0.07 0.40 -0.94 0.35 -1.51 0.00 0.00 179.97 178.20 1n52 h PHE 130 N 0.00 1.03 0.88 2.20 3.04 0.19 -2.68 116.94 121.60 1n52 h PHE 130 Ca -0.07 -0.52 -0.04 0.00 3.98 0.00 0.00 57.97 61.32 1n52 h PHE 130 Cb 1.46 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 39.84 1n52 h PHE 130 CO 0.00 1.35 -0.46 -0.07 -2.02 0.00 0.00 178.31 177.12 1n52 h LEU 131 N 0.44 -1.11 -0.56 0.59 3.38 -1.20 -2.54 115.31 114.33 1n52 h LEU 131 Ca -0.10 0.05 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1n52 h LEU 131 Cb 1.58 0.30 -0.07 0.00 0.09 0.00 0.00 40.66 42.56 1n52 h LEU 131 CO 0.19 -0.75 -0.33 -1.20 0.09 0.00 0.00 178.44 176.44 1n52 n SER 132 N -5.62 -0.59 0.33 -0.43 7.64 -1.08 0.10 113.62 113.96 1n52 n SER 132 Ca -0.16 1.21 0.22 0.00 1.01 0.00 0.00 58.87 61.15 1n52 n SER 132 Cb 0.49 -0.24 1.16 0.00 -1.01 0.00 0.00 64.21 64.62 1n52 n SER 132 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1n52 h ASP 133 N 0.00 0.00 -0.03 6.43 3.58 -1.38 -1.04 116.42 123.98 1n52 h ASP 133 Ca 0.09 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.48 1n52 h ASP 133 Cb 0.23 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 1n52 h ASP 133 CO -0.52 0.00 -0.14 -0.07 -2.88 0.00 0.00 179.24 175.63 1n52 h LEU 134 N 0.00 0.31 -1.76 2.28 3.38 0.11 -1.43 115.31 118.20 1n52 h LEU 134 Ca 0.00 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.01 1n52 h LEU 134 Cb 0.03 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1n52 h LEU 134 CO 0.00 0.48 0.38 0.58 0.09 0.00 0.00 178.44 179.98 1n52 h VAL 135 N 0.31 0.84 0.00 1.22 2.07 -1.10 0.70 116.25 120.30 1n52 h VAL 135 Ca 0.06 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1n52 h VAL 135 Cb 0.43 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1n52 h VAL 135 CO 0.03 0.05 0.00 0.59 0.02 0.00 0.00 177.57 178.25 1n52 n ASN 136 N -4.45 0.00 -0.86 0.57 5.03 -0.55 -2.82 115.26 112.19 1n52 n ASN 136 Ca 0.10 0.18 0.07 0.00 0.87 0.00 0.00 54.58 55.80 1n52 n ASN 136 Cb 0.44 -0.39 0.21 0.00 -1.02 0.00 0.00 39.78 39.02 1n52 n ASN 136 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1n52 n HIS 138 N 0.72 -2.76 0.00 0.00 8.25 -0.89 -4.75 115.22 115.79 1n52 n HIS 138 Ca 0.16 1.09 0.00 0.00 -0.26 0.00 0.00 57.72 58.70 1n52 n HIS 138 Cb 0.53 -3.56 0.00 0.00 1.12 0.00 0.00 29.99 28.08 1n52 n HIS 138 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1n52 n VAL 139 N -1.72 0.00 -4.74 1.59 0.31 -1.16 -4.51 118.33 108.11 1n52 n VAL 139 Ca -0.08 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.00 1n52 n VAL 139 Cb 0.57 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.34 1n52 n VAL 139 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1n52 s ILE 140 N -1.00 1.27 -0.15 2.52 1.01 -1.26 -0.89 121.20 122.70 1n52 s ILE 140 Ca 0.00 -0.64 -0.29 0.00 0.00 0.00 0.00 60.65 59.72 1n52 s ILE 140 Cb 0.00 -1.09 -0.06 0.00 0.01 0.00 0.00 42.46 41.33 1n52 s ILE 140 CO 0.00 0.37 2.03 0.00 0.00 0.00 0.00 174.94 177.34 1n52 s ALA 141 N -0.04 3.07 0.32 9.38 0.00 0.20 -4.39 121.76 130.31 1n52 s ALA 141 Ca -0.01 0.87 0.07 0.00 0.00 0.00 0.00 51.96 52.88 1n52 s ALA 141 Cb -0.10 -3.97 0.91 0.00 0.00 0.00 0.00 23.12 19.96 1n52 s ALA 141 CO 0.01 -2.30 1.58 0.00 0.00 0.00 0.00 175.76 175.05 1n52 h ALA 142 N 12.98 1.43 -0.05 0.00 0.00 -1.89 2.11 119.26 133.83 1n52 h ALA 142 Ca -0.42 0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1n52 h ALA 142 Cb 1.22 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1n52 h ALA 142 CO 0.96 -0.67 -0.27 -1.35 0.00 0.00 0.00 179.25 177.93 1n52 h PRO 143 N 0.02 0.09 -0.20 0.00 0.11 -1.97 -3.07 132.00 126.97 1n52 h PRO 143 Ca 0.66 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.75 1n52 h PRO 143 Cb 1.49 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.58 1n52 h PRO 143 CO -0.88 0.36 0.13 1.03 -0.21 0.00 0.00 178.00 178.43 1n52 h SER 144 N 0.08 0.23 0.02 -2.05 0.87 0.31 -2.85 113.55 110.17 1n52 h SER 144 Ca 0.01 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.58 1n52 h SER 144 Cb 0.53 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.39 1n52 h SER 144 CO 0.04 0.19 -0.26 -0.03 -0.53 0.00 0.00 176.83 176.24 1n52 h MET 145 N 0.26 -0.39 -0.92 2.24 -1.53 -1.36 -2.52 114.93 110.71 1n52 h MET 145 Ca 0.07 0.03 0.24 0.00 -3.44 0.00 0.00 59.70 56.60 1n52 h MET 145 Cb -0.01 0.09 -0.13 0.00 -0.55 0.00 0.00 31.60 31.00 1n52 h MET 145 CO -0.01 -0.26 0.41 0.28 0.14 0.00 0.00 176.91 177.46 1n52 h VAL 146 N -0.40 0.41 -0.51 -5.77 2.07 -1.51 0.92 116.25 111.46 1n52 h VAL 146 Ca 0.06 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1n52 h VAL 146 Cb 0.48 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1n52 h VAL 146 CO -0.21 0.07 0.20 0.00 0.02 0.00 0.00 177.57 177.65 1n52 h ALA 147 N 1.75 1.40 0.27 1.67 0.00 -1.23 -0.66 119.26 122.46 1n52 h ALA 147 Ca 0.60 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 1n52 h ALA 147 Cb 1.20 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1n52 h ALA 147 CO -0.57 0.46 -0.13 1.98 0.00 0.00 0.00 179.25 180.99 1n52 h MET 148 N 0.73 -0.35 -1.01 0.00 -1.53 -0.76 -3.08 114.93 108.93 1n52 h MET 148 Ca 0.18 0.02 0.17 0.00 -3.44 0.00 0.00 59.70 56.63 1n52 h MET 148 Cb 0.15 0.08 -0.10 0.00 -0.55 0.00 0.00 31.60 31.18 1n52 h MET 148 CO -0.02 0.00 0.62 0.74 0.14 0.00 0.00 176.91 178.39 1n52 h PHE 149 N -0.85 1.10 -0.53 1.39 0.04 -1.26 0.55 116.94 117.38 1n52 h PHE 149 Ca -0.04 0.03 0.10 0.00 2.80 0.00 0.00 57.97 60.87 1n52 h PHE 149 Cb 0.51 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 1n52 h PHE 149 CO 0.05 0.30 0.36 0.93 -0.60 0.00 0.00 178.31 179.35 1n52 h GLU 150 N 0.84 0.26 0.00 1.51 5.08 -1.10 0.10 114.58 121.28 1n52 h GLU 150 Ca 0.56 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.75 1n52 h GLU 150 Cb 0.77 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1n52 h GLU 150 CO -0.35 0.17 -0.76 -0.91 -1.00 0.00 0.00 179.01 176.16 1n52 h ASN 151 N 0.27 0.00 0.62 1.42 2.35 0.14 -2.72 115.58 117.67 1n52 h ASN 151 Ca 0.25 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.97 1n52 h ASN 151 Cb 0.61 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.99 1n52 h ASN 151 CO -0.05 0.71 -0.30 -0.26 -1.65 0.00 0.00 177.43 175.88 1n52 h PHE 152 N 0.00 -0.77 -0.60 1.19 -1.00 0.34 -2.85 116.94 113.25 1n52 h PHE 152 Ca -0.02 -0.02 0.15 0.00 2.81 0.00 0.00 57.97 60.89 1n52 h PHE 152 Cb 1.56 0.26 -0.03 0.00 3.61 0.00 0.00 35.95 41.34 1n52 h PHE 152 CO 0.00 -0.44 0.41 0.28 -1.61 0.00 0.00 178.31 176.96 1n52 h VAL 153 N -1.10 0.77 -0.03 -0.55 2.07 -1.31 0.83 116.25 116.93 1n52 h VAL 153 Ca -0.09 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1n52 h VAL 153 Cb 0.69 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1n52 h VAL 153 CO 0.14 0.03 0.19 0.28 0.02 0.00 0.00 177.57 178.23 1n52 h SER 154 N 0.16 0.00 -0.23 0.57 0.02 -1.23 0.32 113.55 113.16 1n52 h SER 154 Ca 0.29 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1n52 h SER 154 Cb 0.91 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 1n52 h SER 154 CO -0.04 0.00 0.12 0.58 -1.14 0.00 0.00 176.83 176.35 1n52 h VAL 155 N 0.00 1.10 -0.22 2.27 2.07 -0.85 -1.38 116.25 119.24 1n52 h VAL 155 Ca 0.01 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.33 1n52 h VAL 155 Cb 0.40 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1n52 h VAL 155 CO -0.00 0.11 0.27 0.71 0.02 0.00 0.00 177.57 178.67 1n52 h THR 156 N 0.36 0.39 0.12 2.57 1.35 -1.11 -0.14 112.91 116.44 1n52 h THR 156 Ca 0.09 0.00 -0.30 0.00 -0.55 0.00 0.00 66.41 65.66 1n52 h THR 156 Cb 0.04 0.78 -0.01 0.00 -1.73 0.00 0.00 68.15 67.24 1n52 h THR 156 CO -0.01 0.00 -1.46 1.56 -0.25 0.00 0.00 175.52 175.36 1n52 h GLN 157 N 0.00 0.25 -4.09 4.72 7.50 -1.43 -3.47 115.11 118.58 1n52 h GLN 157 Ca 0.10 -0.42 -0.50 0.00 0.50 0.00 0.00 58.65 58.33 1n52 h GLN 157 Cb 0.63 0.16 0.05 0.00 0.05 0.00 0.00 27.48 28.37 1n52 h GLN 157 CO -0.00 1.12 -0.14 -1.91 -1.50 0.00 0.00 178.83 176.40 1n52 n GLU 158 N -3.46 0.00 -3.62 1.46 2.13 -0.07 -4.88 120.64 112.20 1n52 n GLU 158 Ca -0.14 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.30 1n52 n GLU 158 Cb 1.04 -0.87 -0.06 0.00 0.27 0.00 0.00 31.44 31.82 1n52 n GLU 158 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1n52 s GLU 159 N -0.31 3.87 -1.03 5.31 0.41 -1.26 -4.48 118.70 121.20 1n52 s GLU 159 Ca 0.54 0.17 -0.01 0.00 -0.41 0.00 0.00 54.97 55.25 1n52 s GLU 159 Cb -0.76 -3.27 0.00 0.00 -1.78 0.00 0.00 34.13 28.32 1n52 s GLU 159 CO 0.39 0.60 0.87 -0.25 -0.49 0.00 0.00 175.26 176.37 1n52 n ASP 160 N 2.34 -2.59 -4.19 -0.19 10.43 -1.26 -5.05 116.55 116.03 1n52 n ASP 160 Ca -0.15 -0.51 -0.22 0.00 2.57 0.00 0.00 54.79 56.48 1n52 n ASP 160 Cb 0.53 -4.40 -0.13 0.00 1.84 0.00 0.00 41.12 38.96 1n52 n ASP 160 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1n52 s VAL 161 N -3.30 1.32 0.33 2.53 -7.23 -1.26 -5.11 120.40 107.67 1n52 s VAL 161 Ca 0.08 -1.15 -0.29 0.00 -1.81 0.00 0.00 61.98 58.81 1n52 s VAL 161 Cb -0.03 -1.19 -0.12 0.00 0.56 0.00 0.00 36.38 35.60 1n52 s VAL 161 CO 0.62 0.02 1.34 -2.65 -0.31 0.00 0.00 175.10 174.11 1n52 n PRO 162 N 1.71 2.19 -0.02 4.82 -0.02 -1.26 -4.87 135.00 137.56 1n52 n PRO 162 Ca -0.18 0.77 0.05 0.00 -2.02 0.00 0.00 63.50 62.11 1n52 n PRO 162 Cb 0.54 -2.39 0.43 0.00 -0.02 0.00 0.00 33.50 32.06 1n52 n PRO 162 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1n52 h GLN 163 N 2.98 0.54 0.00 -0.52 4.15 -1.39 0.64 115.11 121.50 1n52 h GLN 163 Ca -0.46 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 58.92 1n52 h GLN 163 Cb 1.28 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.84 1n52 h GLN 163 CO 0.66 0.36 -0.01 -0.39 -1.93 0.00 0.00 178.83 177.51 1n52 h VAL 164 N 0.55 0.26 0.01 2.39 -1.51 -0.70 0.55 116.25 117.80 1n52 h VAL 164 Ca 0.17 -0.08 -0.00 0.00 -1.23 0.00 0.00 66.70 65.56 1n52 h VAL 164 Cb 0.00 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 30.22 1n52 h VAL 164 CO -0.04 0.01 -0.01 -0.09 -1.23 0.00 0.00 177.57 176.22 1n52 h ARG 165 N 0.00 -0.02 -0.19 5.19 2.43 -1.13 -2.65 114.38 118.01 1n52 h ARG 165 Ca -0.00 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1n52 h ARG 165 Cb 0.06 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1n52 h ARG 165 CO 0.00 0.67 0.14 0.00 -1.51 0.00 0.00 179.97 179.27 1n52 h ARG 166 N -0.97 0.00 -0.24 0.20 3.08 -1.06 -2.26 114.38 113.12 1n52 h ARG 166 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1n52 h ARG 166 Cb 0.69 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 1n52 h ARG 166 CO 0.00 0.00 -0.31 -0.44 -1.07 0.00 0.00 179.97 178.16 1n52 h ASP 167 N 0.00 0.69 -0.68 7.04 5.19 0.04 -3.26 116.42 125.43 1n52 h ASP 167 Ca 0.09 -0.50 -0.01 0.00 -0.62 0.00 0.00 57.03 55.99 1n52 h ASP 167 Cb 0.36 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.65 1n52 h ASP 167 CO -0.00 1.05 0.38 -0.25 -3.12 0.00 0.00 179.24 177.30 1n52 h TRP 168 N 0.34 0.93 -0.77 4.55 7.01 -1.03 -1.56 115.95 125.43 1n52 h TRP 168 Ca 0.03 -0.02 -0.05 0.00 2.11 0.00 0.00 58.89 60.97 1n52 h TRP 168 Cb 0.88 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 27.61 1n52 h TRP 168 CO 0.08 0.66 0.30 1.88 -2.79 0.00 0.00 178.44 178.56 1n52 h TYR 169 N 0.94 1.17 -0.44 2.65 0.05 -1.64 0.25 116.97 119.95 1n52 h TYR 169 Ca 0.24 -0.09 -0.04 0.00 0.05 0.00 0.00 58.73 58.89 1n52 h TYR 169 Cb 0.02 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 37.40 1n52 h TYR 169 CO -0.01 0.89 0.12 0.28 -1.05 0.00 0.00 178.16 178.39 1n52 h VAL 170 N 1.12 1.23 -0.39 -2.88 2.07 -1.56 -0.52 116.25 115.33 1n52 h VAL 170 Ca 0.26 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1n52 h VAL 170 Cb 0.22 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1n52 h VAL 170 CO -0.02 0.27 0.15 0.22 0.02 0.00 0.00 177.57 178.21 1n52 h TYR 171 N 0.57 0.60 -0.89 1.57 3.20 -0.98 0.42 116.97 121.46 1n52 h TYR 171 Ca 0.14 -0.05 0.05 0.00 3.14 0.00 0.00 58.73 62.01 1n52 h TYR 171 Cb 0.29 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.33 1n52 h TYR 171 CO 0.02 0.54 0.58 0.00 -1.64 0.00 0.00 178.16 177.66 1n52 h ALA 172 N 0.99 1.48 0.35 1.82 0.00 -0.26 0.19 119.26 123.83 1n52 h ALA 172 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1n52 h ALA 172 Cb 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1n52 h ALA 172 CO -0.01 0.41 -0.17 0.35 0.00 0.00 0.00 179.25 179.83 1n52 h PHE 173 N 1.06 -0.43 -0.82 0.00 3.57 -0.33 -3.25 116.94 116.73 1n52 h PHE 173 Ca 0.37 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.95 1n52 h PHE 173 Cb 0.10 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.92 1n52 h PHE 173 CO -0.00 -0.27 0.47 -0.07 -2.23 0.00 0.00 178.31 176.21 1n52 h LEU 174 N -0.76 0.68 -0.30 0.59 4.07 -0.13 -1.40 115.31 118.06 1n52 h LEU 174 Ca -0.05 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1n52 h LEU 174 Cb 0.36 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.01 1n52 h LEU 174 CO 0.08 0.40 0.00 -1.54 -1.08 0.00 0.00 178.44 176.30 1n52 n SER 175 N -4.73 0.17 0.00 -0.43 3.41 0.05 -2.31 113.62 109.78 1n52 n SER 175 Ca 0.13 0.56 -0.22 0.00 -0.26 0.00 0.00 58.87 59.09 1n52 n SER 175 Cb 0.26 -0.59 -0.14 0.00 -0.26 0.00 0.00 64.21 63.49 1n52 n SER 175 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1n52 h SER 176 N 0.00 0.38 -1.25 4.04 0.02 -1.29 -3.38 113.55 112.07 1n52 h SER 176 Ca 0.00 -0.85 0.45 0.00 -0.84 0.00 0.00 61.79 60.55 1n52 h SER 176 Cb 0.12 -0.12 -0.15 0.00 0.14 0.00 0.00 62.40 62.39 1n52 h SER 176 CO 0.00 1.68 0.77 -0.07 -1.14 0.00 0.00 176.83 178.07 1n52 h LEU 177 N -0.24 0.25 -2.16 5.07 3.38 -1.40 1.06 115.31 121.27 1n52 h LEU 177 Ca -0.34 0.18 0.06 0.00 0.09 0.00 0.00 57.88 57.88 1n52 h LEU 177 Cb 1.81 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.74 1n52 h LEU 177 CO 0.05 -0.30 0.28 -0.65 0.09 0.00 0.00 178.44 177.92 1n52 h PRO 178 N 0.03 0.00 0.00 1.13 0.11 -1.75 -0.08 132.00 131.44 1n52 h PRO 178 Ca 0.86 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.72 1n52 h PRO 178 Cb 2.59 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 33.66 1n52 h PRO 178 CO -0.55 0.00 -1.82 0.91 -0.21 0.00 0.00 178.00 176.32 1n52 n TRP 179 N -3.59 0.00 0.01 0.65 8.01 0.36 -4.80 117.44 118.08 1n52 n TRP 179 Ca 0.02 0.00 -0.21 0.00 -1.31 0.00 0.00 57.50 56.00 1n52 n TRP 179 Cb 0.41 -0.76 -0.14 0.00 -2.01 0.00 0.00 31.31 28.81 1n52 n TRP 179 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.69 176.44 1n52 h VAL 180 N -0.99 1.10 -0.24 -0.99 3.04 -1.30 -3.41 116.25 113.45 1n52 h VAL 180 Ca -0.38 -2.41 0.03 0.00 -1.01 0.00 0.00 66.70 62.93 1n52 h VAL 180 Cb 1.32 2.77 -0.04 0.00 -2.01 0.00 0.00 31.29 33.34 1n52 h VAL 180 CO -0.23 0.70 -0.10 0.61 -1.01 0.00 0.00 177.57 177.54 1n52 n GLY 181 N 1.72 -0.52 0.37 3.17 0.00 -0.05 -0.52 105.19 109.36 1n52 n GLY 181 Ca -0.23 0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1n52 n GLY 181 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1n52 h LYS 182 N 0.00 -0.41 0.00 1.61 3.64 -1.77 -0.70 116.57 118.94 1n52 h LYS 182 Ca 0.08 0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.29 1n52 h LYS 182 Cb 0.14 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1n52 h LYS 182 CO -0.24 -0.28 -0.98 1.49 -2.27 0.00 0.00 179.45 177.18 1n52 h GLU 183 N -0.43 0.00 0.00 1.90 4.81 -1.60 -3.05 114.58 116.21 1n52 h GLU 183 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1n52 h GLU 183 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1n52 h GLU 183 CO -0.39 0.79 0.00 -0.11 -0.73 0.00 0.00 179.01 178.57 1n52 n LEU 184 N -3.26 0.00 -0.00 1.64 7.94 0.32 -1.00 117.00 122.64 1n52 n LEU 184 Ca -0.02 0.02 0.08 0.00 -1.11 0.00 0.00 56.01 54.98 1n52 n LEU 184 Cb 0.90 -0.02 -0.10 0.00 0.53 0.00 0.00 43.42 44.73 1n52 n LEU 184 CO 0.45 -0.01 -0.13 0.00 -1.11 0.00 0.00 177.39 176.59 1n52 n TYR 185 N -1.02 0.00 0.23 1.96 9.36 -0.30 -4.07 117.16 123.32 1n52 n TYR 185 Ca 0.12 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.46 1n52 n TYR 185 Cb 0.06 -0.05 0.47 0.00 -0.63 0.00 0.00 39.34 39.19 1n52 n TYR 185 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1n52 h GLU 186 N 0.00 0.00 -5.20 2.98 4.81 -1.15 -3.42 114.58 112.59 1n52 h GLU 186 Ca 0.00 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.66 1n52 h GLU 186 Cb 0.46 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.71 1n52 h GLU 186 CO 0.00 0.18 -0.55 0.21 -0.73 0.00 0.00 179.01 178.11 1n52 s LYS 187 N -3.60 1.91 -0.40 1.92 2.47 -1.25 -4.85 119.74 115.95 1n52 s LYS 187 Ca 0.01 -2.14 -0.05 0.00 -1.56 0.00 0.00 55.97 52.23 1n52 s LYS 187 Cb 0.10 -1.01 0.05 0.00 -1.46 0.00 0.00 37.83 35.50 1n52 s LYS 187 CO 0.62 -0.32 0.13 1.17 0.16 0.00 0.00 175.35 177.11 1n52 n LYS 188 N -0.93 -1.48 -0.02 4.03 3.00 -1.26 -4.71 118.16 116.78 1n52 n LYS 188 Ca -0.08 0.03 0.20 0.00 -0.00 0.00 0.00 58.31 58.46 1n52 n LYS 188 Cb 0.66 -2.22 0.68 0.00 0.00 0.00 0.00 35.03 34.15 1n52 n LYS 188 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1n52 h ASP 189 N -0.18 0.03 0.13 3.14 2.03 -1.86 2.03 116.42 121.75 1n52 h ASP 189 Ca -0.13 0.00 0.02 0.00 -0.73 0.00 0.00 57.03 56.19 1n52 h ASP 189 Cb 0.56 -0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.02 1n52 h ASP 189 CO 0.19 0.02 -0.29 0.00 -1.03 0.00 0.00 179.24 178.13 1n52 h ALA 190 N 1.72 -0.50 0.00 4.15 0.00 -1.98 0.24 119.26 122.89 1n52 h ALA 190 Ca 0.27 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.91 1n52 h ALA 190 Cb 1.02 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 1n52 h ALA 190 CO -0.01 -0.83 -1.14 0.93 0.00 0.00 0.00 179.25 178.20 1n52 h GLU 191 N -0.51 0.00 -0.69 0.00 3.07 -1.60 -2.66 114.58 112.18 1n52 h GLU 191 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1n52 h GLU 191 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1n52 h GLU 191 CO -0.16 0.80 0.00 -1.33 -1.40 0.00 0.00 179.01 176.92 1n52 n MET 192 N -3.24 0.77 0.00 2.33 2.81 0.68 0.12 117.12 120.58 1n52 n MET 192 Ca -0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 1n52 n MET 192 Cb 0.94 -1.35 0.00 0.00 -0.71 0.00 0.00 33.22 32.11 1n52 n MET 192 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1n52 n ASP 193 N 0.06 2.15 0.26 7.83 10.43 0.03 -4.58 116.55 132.73 1n52 n ASP 193 Ca 0.00 0.00 0.15 0.00 2.57 0.00 0.00 54.79 57.51 1n52 n ASP 193 Cb 0.17 0.03 0.60 0.00 1.84 0.00 0.00 41.12 43.76 1n52 n ASP 193 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 1n52 h ARG 194 N 0.00 0.00 0.01 -1.24 2.43 -0.72 -0.37 114.38 114.49 1n52 h ARG 194 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1n52 h ARG 194 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1n52 h ARG 194 CO 0.00 0.06 -0.01 0.82 -1.51 0.00 0.00 179.97 179.34 1n52 h ILE 195 N 0.00 1.55 -0.67 1.20 1.08 -0.60 -2.62 117.51 117.45 1n52 h ILE 195 Ca -0.00 -1.95 0.11 0.00 -0.39 0.00 0.00 64.86 62.63 1n52 h ILE 195 Cb 0.60 2.82 -0.04 0.00 -3.07 0.00 0.00 36.82 37.13 1n52 h ILE 195 CO 0.01 0.49 0.45 -0.26 -0.69 0.00 0.00 178.15 178.14 1n52 h PHE 196 N -0.89 0.49 0.48 1.37 -1.00 -1.75 0.64 116.94 116.27 1n52 h PHE 196 Ca -0.00 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 1n52 h PHE 196 Cb 0.81 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 40.22 1n52 h PHE 196 CO 0.21 0.22 -0.23 0.00 -1.61 0.00 0.00 178.31 176.90 1n52 h ALA 197 N 1.67 -0.64 0.00 2.45 0.00 -1.05 0.27 119.26 121.95 1n52 h ALA 197 Ca 0.32 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1n52 h ALA 197 Cb 0.62 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1n52 h ALA 197 CO -0.10 -0.82 -0.19 -0.91 0.00 0.00 0.00 179.25 177.23 1n52 h ASN 198 N -0.72 0.00 0.34 0.00 4.21 -0.92 -1.11 115.58 117.38 1n52 h ASN 198 Ca -0.07 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.43 1n52 h ASN 198 Cb 0.53 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 1n52 h ASN 198 CO 0.11 0.19 -0.16 0.74 -1.29 0.00 0.00 177.43 177.02 1n52 h THR 199 N 0.00 0.00 -0.90 2.81 2.02 -0.59 0.78 112.91 117.04 1n52 h THR 199 Ca -0.00 -0.26 0.18 0.00 0.77 0.00 0.00 66.41 67.10 1n52 h THR 199 Cb 0.45 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.69 1n52 h THR 199 CO 0.02 0.00 -0.24 -0.08 0.37 0.00 0.00 175.52 175.60 1n52 h GLU 200 N -0.71 -0.01 -0.19 6.66 4.57 -0.37 1.30 114.58 125.84 1n52 h GLU 200 Ca -0.05 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.17 1n52 h GLU 200 Cb 0.35 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.91 1n52 h GLU 200 CO 0.08 -0.00 -0.02 1.03 -1.18 0.00 0.00 179.01 178.91 1n52 h SER 201 N -0.01 -0.12 -0.28 1.04 0.87 -1.19 -1.82 113.55 112.05 1n52 h SER 201 Ca 0.42 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 61.01 1n52 h SER 201 Cb 0.65 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 1n52 h SER 201 CO -0.92 -0.03 0.11 0.22 -0.53 0.00 0.00 176.83 175.67 1n52 h TYR 202 N 0.03 0.42 -0.25 2.24 3.20 0.29 -2.85 116.97 120.06 1n52 h TYR 202 Ca 0.09 -0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.99 1n52 h TYR 202 Cb 0.12 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1n52 h TYR 202 CO -0.19 0.43 0.18 -0.07 -1.64 0.00 0.00 178.16 176.87 1n52 h LEU 203 N 0.30 0.02 -0.26 2.82 3.38 0.16 -0.63 115.31 121.10 1n52 h LEU 203 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1n52 h LEU 203 Cb 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1n52 h LEU 203 CO -0.01 0.02 -0.20 0.29 0.09 0.00 0.00 178.44 178.63 1n52 n LYS 204 N -4.47 0.58 0.00 1.13 5.02 -0.71 -3.77 118.16 115.93 1n52 n LYS 204 Ca 0.03 -0.26 0.07 0.00 -2.02 0.00 0.00 58.31 56.13 1n52 n LYS 204 Cb 0.31 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.82 1n52 n LYS 204 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1n52 n ARG 205 N -0.98 1.85 -2.30 1.97 1.74 -0.27 -4.99 116.66 113.67 1n52 n ARG 205 Ca 0.12 -0.70 -0.38 0.00 -0.77 0.00 0.00 57.85 56.12 1n52 n ARG 205 Cb 0.31 -1.21 -0.02 0.00 -1.02 0.00 0.00 32.46 30.52 1n52 n ARG 205 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1n52 s ARG 206 N -1.77 4.05 0.41 5.56 0.52 -1.03 -5.02 118.95 121.67 1n52 s ARG 206 Ca 0.11 1.83 -0.17 0.00 -0.52 0.00 0.00 55.73 56.98 1n52 s ARG 206 Cb 0.11 -2.66 -0.09 0.00 0.52 0.00 0.00 34.95 32.83 1n52 s ARG 206 CO 0.37 -0.32 0.88 1.14 0.02 0.00 0.00 175.30 177.38 1n52 s GLN 207 N -2.32 4.07 -0.21 3.54 -2.07 -1.26 -4.98 119.66 116.43 1n52 s GLN 207 Ca 0.57 0.90 0.13 0.00 -1.82 0.00 0.00 55.36 55.14 1n52 s GLN 207 Cb -0.30 -2.27 0.45 0.00 -1.09 0.00 0.00 33.01 29.80 1n52 s GLN 207 CO 0.38 -0.02 1.19 1.63 -1.32 0.00 0.00 175.29 177.15 1n52 n LYS 208 N -0.78 2.08 0.16 9.60 4.76 -1.26 -4.84 118.16 127.89 1n52 n LYS 208 Ca 0.05 -3.44 0.15 0.00 -2.87 0.00 0.00 58.31 52.20 1n52 n LYS 208 Cb 0.54 -1.61 0.72 0.00 -1.84 0.00 0.00 35.03 32.84 1n52 n LYS 208 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1n52 h THR 209 N 2.86 0.75 0.00 -0.18 2.02 -1.94 -2.79 112.91 113.63 1n52 h THR 209 Ca 0.08 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 1n52 h THR 209 Cb 1.35 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1n52 h THR 209 CO 0.30 0.00 -0.09 1.12 0.37 0.00 0.00 175.52 177.22 1n52 h HIS 210 N 0.00 0.00 -0.24 3.16 2.07 -1.88 -3.39 115.15 114.87 1n52 h HIS 210 Ca 0.11 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 57.69 1n52 h HIS 210 Cb 0.46 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.37 1n52 h HIS 210 CO 0.00 0.09 -0.27 0.28 -3.07 0.00 0.00 177.93 174.96 1n52 h VAL 211 N 0.00 0.35 -0.67 6.12 2.07 -1.88 -1.54 116.25 120.70 1n52 h VAL 211 Ca -0.00 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.70 1n52 h VAL 211 Cb 0.94 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1n52 h VAL 211 CO 0.01 0.00 0.47 -0.65 0.02 0.00 0.00 177.57 177.42 1n52 h PRO 212 N -0.28 0.08 0.00 1.57 0.11 -1.82 0.63 132.00 132.30 1n52 h PRO 212 Ca 0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1n52 h PRO 212 Cb 0.49 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1n52 h PRO 212 CO -0.40 0.06 -0.27 1.98 -0.21 0.00 0.00 178.00 179.16 1n52 h MET 213 N 0.09 0.00 0.00 1.05 1.85 -1.56 -3.34 114.93 113.02 1n52 h MET 213 Ca 0.32 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.41 1n52 h MET 213 Cb 1.15 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.18 1n52 h MET 213 CO -0.03 0.00 -0.83 1.28 -0.40 0.00 0.00 176.91 176.93 1n52 n LEU 214 N -2.61 0.64 -4.75 3.39 4.77 0.10 -4.92 117.00 113.63 1n52 n LEU 214 Ca 0.04 -0.44 -0.41 0.00 -0.03 0.00 0.00 56.01 55.16 1n52 n LEU 214 Cb 0.49 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 1n52 n LEU 214 CO 0.34 0.16 0.90 -1.10 -1.33 0.00 0.00 177.39 176.36 1n52 s GLN 215 N -2.51 4.48 0.19 3.23 -0.21 -0.55 -4.52 119.66 119.76 1n52 s GLN 215 Ca 0.04 1.94 0.02 0.00 0.02 0.00 0.00 55.36 57.39 1n52 s GLN 215 Cb 0.11 -3.20 0.09 0.00 1.00 0.00 0.00 33.01 31.02 1n52 s GLN 215 CO 0.63 -0.08 1.45 0.28 -2.12 0.00 0.00 175.29 175.45 1n52 h VAL 216 N 3.54 1.44 -3.94 1.09 2.07 -1.92 -3.43 116.25 115.10 1n52 h VAL 216 Ca -0.45 -2.32 -0.31 0.00 0.82 0.00 0.00 66.70 64.44 1n52 h VAL 216 Cb 1.21 2.25 -0.25 0.00 -1.52 0.00 0.00 31.29 32.98 1n52 h VAL 216 CO 0.72 0.68 -0.75 0.26 0.02 0.00 0.00 177.57 178.51 1n52 s TRP 217 N -3.46 0.58 -0.68 1.57 0.51 -1.26 -0.65 118.94 115.55 1n52 s TRP 217 Ca -0.04 -0.26 0.23 0.00 -2.12 0.00 0.00 56.10 53.91 1n52 s TRP 217 Cb 0.11 -0.36 0.06 0.00 -0.81 0.00 0.00 33.47 32.46 1n52 s TRP 217 CO 0.82 -0.04 1.04 0.25 -0.51 0.00 0.00 176.95 178.52 1n52 n THR 218 N 2.33 0.13 -2.19 2.01 -2.24 -1.07 -4.74 114.28 108.52 1n52 n THR 218 Ca -0.17 -0.20 -0.41 0.00 -2.27 0.00 0.00 64.05 61.00 1n52 n THR 218 Cb 0.57 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 1n52 n THR 218 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n52 s ALA 219 N -3.16 3.51 -0.89 6.98 0.00 -1.26 -4.90 121.76 122.03 1n52 s ALA 219 Ca 0.05 1.17 0.27 0.00 0.00 0.00 0.00 51.96 53.45 1n52 s ALA 219 Cb 0.15 -3.47 0.89 0.00 0.00 0.00 0.00 23.12 20.69 1n52 s ALA 219 CO 0.80 -0.55 1.72 -0.25 0.00 0.00 0.00 175.76 177.48 1n52 n ASP 220 N 1.59 0.38 -4.15 0.00 8.00 -1.26 -4.62 116.55 116.49 1n52 n ASP 220 Ca 0.02 0.33 -0.18 0.00 0.71 0.00 0.00 54.79 55.68 1n52 n ASP 220 Cb 0.42 -0.35 -0.12 0.00 -0.02 0.00 0.00 41.12 41.05 1n52 n ASP 220 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1n52 s LYS 221 N -3.05 0.82 0.28 -1.24 1.02 -1.26 -2.82 119.74 113.49 1n52 s LYS 221 Ca 0.12 -0.88 0.05 0.00 0.02 0.00 0.00 55.97 55.27 1n52 s LYS 221 Cb 0.16 -0.81 0.40 0.00 -0.52 0.00 0.00 37.83 37.07 1n52 s LYS 221 CO 0.60 0.18 1.68 -1.00 -0.92 0.00 0.00 175.35 175.89 1n52 h PRO 222 N 4.47 0.31 -5.08 -1.68 0.13 -1.99 -3.48 132.00 124.68 1n52 h PRO 222 Ca -0.40 -0.15 -0.67 0.00 -0.87 0.00 0.00 66.00 63.92 1n52 h PRO 222 Cb 1.19 -0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.99 1n52 h PRO 222 CO 0.41 0.67 -0.82 -1.01 -0.23 0.00 0.00 178.00 177.02 1n52 s HIS 223 N -4.16 2.81 0.36 1.56 3.76 -1.25 -5.11 115.29 113.26 1n52 s HIS 223 Ca -0.05 -1.36 -0.27 0.00 -0.15 0.00 0.00 55.06 53.22 1n52 s HIS 223 Cb 0.13 -1.95 -0.09 0.00 1.11 0.00 0.00 32.58 31.77 1n52 s HIS 223 CO 0.78 -0.68 1.26 -2.14 -0.85 0.00 0.00 174.74 173.11 1n52 s PRO 224 N 1.23 4.24 -0.57 8.40 0.02 -1.13 -4.76 135.00 142.43 1n52 s PRO 224 Ca 0.03 2.09 -0.15 0.00 0.02 0.00 0.00 61.00 62.99 1n52 s PRO 224 Cb -0.14 -2.94 0.14 0.00 0.02 0.00 0.00 34.50 31.58 1n52 s PRO 224 CO -0.08 -0.24 0.51 -0.65 -0.33 0.00 0.00 177.00 176.21 1n52 s GLN 225 N -1.95 2.99 0.30 5.54 -1.52 -1.26 -4.81 119.66 118.94 1n52 s GLN 225 Ca 0.52 -1.82 -0.18 0.00 -1.95 0.00 0.00 55.36 51.93 1n52 s GLN 225 Cb -0.37 -4.26 -0.09 0.00 -0.22 0.00 0.00 33.01 28.08 1n52 s GLN 225 CO 0.48 -1.30 0.77 -1.21 -0.25 0.00 0.00 175.29 173.78 1n52 s GLU 226 N 1.38 4.17 0.34 2.91 2.02 -1.26 -4.77 118.70 123.49 1n52 s GLU 226 Ca 0.05 0.85 -0.29 0.00 0.02 0.00 0.00 54.97 55.60 1n52 s GLU 226 Cb -0.27 -2.60 -0.11 0.00 0.10 0.00 0.00 34.13 31.24 1n52 s GLU 226 CO 0.01 0.24 1.55 -2.00 0.02 0.00 0.00 175.26 175.07 1n52 s GLU 227 N -2.54 4.11 0.42 1.61 -6.30 -1.26 -0.04 118.70 114.70 1n52 s GLU 227 Ca 0.50 2.59 0.14 0.00 -2.50 0.00 0.00 54.97 55.70 1n52 s GLU 227 Cb -0.13 -2.99 1.01 0.00 0.00 0.00 0.00 34.13 32.02 1n52 s GLU 227 CO 0.19 -0.59 1.94 0.10 0.02 0.00 0.00 175.26 176.92 1n52 h TYR 228 N 3.90 0.50 0.06 5.30 -0.00 -1.09 -1.67 116.97 123.97 1n52 h TYR 228 Ca -0.49 0.01 -0.26 0.00 -0.00 0.00 0.00 58.73 58.00 1n52 h TYR 228 Cb 1.23 -0.16 0.01 0.00 -0.00 0.00 0.00 36.73 37.81 1n52 h TYR 228 CO 0.56 0.21 -1.09 -0.07 -0.00 0.00 0.00 178.16 177.77 1n52 h LEU 229 N 0.45 0.60 -0.46 0.10 3.38 -1.90 -2.31 115.31 115.16 1n52 h LEU 229 Ca 0.33 -0.53 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 1n52 h LEU 229 Cb 0.69 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1n52 h LEU 229 CO -0.10 1.36 -0.13 0.44 0.09 0.00 0.00 178.44 180.09 1n52 h ASP 230 N 0.21 0.92 -0.48 -0.43 3.32 -1.85 0.13 116.42 118.24 1n52 h ASP 230 Ca -0.12 -0.37 -0.04 0.00 0.02 0.00 0.00 57.03 56.52 1n52 h ASP 230 Cb 1.76 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 41.03 1n52 h ASP 230 CO 0.19 1.07 0.15 0.00 -1.72 0.00 0.00 179.24 178.93 1n52 h LEU 232 N 0.64 0.98 -0.13 0.00 5.85 -1.29 -1.41 115.31 119.95 1n52 h LEU 232 Ca 0.15 -0.41 0.03 0.00 0.84 0.00 0.00 57.88 58.50 1n52 h LEU 232 Cb 0.27 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1n52 h LEU 232 CO -0.00 1.17 -0.08 -0.25 -0.34 0.00 0.00 178.44 178.94 1n52 h TRP 233 N 0.78 -0.18 -0.01 1.25 -0.00 -0.52 0.11 115.95 117.39 1n52 h TRP 233 Ca 0.10 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 59.00 1n52 h TRP 233 Cb 0.81 0.10 -0.00 0.00 -0.00 0.00 0.00 29.16 30.08 1n52 h TRP 233 CO 0.06 -0.12 0.00 0.00 -0.00 0.00 0.00 178.44 178.38 1n52 h ALA 234 N 1.04 1.99 -0.15 2.65 0.00 -1.00 -2.35 119.26 121.43 1n52 h ALA 234 Ca 0.08 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1n52 h ALA 234 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1n52 h ALA 234 CO -0.18 0.00 -0.39 1.96 0.00 0.00 0.00 179.25 180.65 1n52 h GLN 235 N 0.01 0.54 -0.07 0.00 4.20 0.20 -3.05 115.11 116.93 1n52 h GLN 235 Ca 0.00 -0.37 0.03 0.00 0.06 0.00 0.00 58.65 58.37 1n52 h GLN 235 Cb 0.00 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1n52 h GLN 235 CO -0.00 0.99 -0.12 0.82 -0.67 0.00 0.00 178.83 179.85 1n52 h ILE 236 N 0.17 0.69 -0.49 2.54 1.08 -0.42 -2.74 117.51 118.34 1n52 h ILE 236 Ca -0.00 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.52 1n52 h ILE 236 Cb 1.00 0.69 -0.09 0.00 -3.07 0.00 0.00 36.82 35.35 1n52 h ILE 236 CO 0.08 0.00 -0.54 1.56 -0.69 0.00 0.00 178.15 178.56 1n52 h GLN 237 N -0.17 -0.32 -0.53 2.37 1.08 -1.45 0.58 115.11 116.67 1n52 h GLN 237 Ca 0.07 0.02 0.15 0.00 -1.45 0.00 0.00 58.65 57.44 1n52 h GLN 237 Cb 0.26 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 1n52 h GLN 237 CO -0.17 -0.21 0.43 -0.22 -0.95 0.00 0.00 178.83 177.71 1n52 h LYS 238 N -0.33 0.00 0.00 1.46 3.64 -1.41 0.24 116.57 120.17 1n52 h LYS 238 Ca 0.10 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1n52 h LYS 238 Cb 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1n52 h LYS 238 CO -0.65 0.00 -0.02 1.25 -2.27 0.00 0.00 179.45 177.76 1n52 h LEU 239 N 0.00 0.02 0.41 5.20 5.85 0.23 -2.99 115.31 124.03 1n52 h LEU 239 Ca 0.25 -0.86 -0.01 0.00 0.84 0.00 0.00 57.88 58.11 1n52 h LEU 239 Cb 1.11 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1n52 h LEU 239 CO -0.00 0.87 -0.32 0.50 -0.34 0.00 0.00 178.44 179.15 1n52 h LYS 240 N -0.84 -0.70 0.00 1.25 3.64 0.92 0.37 116.57 121.21 1n52 h LYS 240 Ca -0.00 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1n52 h LYS 240 Cb 0.88 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1n52 h LYS 240 CO 0.00 -0.47 0.00 0.36 -2.27 0.00 0.00 179.45 177.08 1n52 n LYS 241 N -5.45 0.22 -0.19 1.90 0.00 0.72 0.63 118.16 115.99 1n52 n LYS 241 Ca -0.10 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.27 1n52 n LYS 241 Cb 0.34 -1.38 0.15 0.00 -0.00 0.00 0.00 35.03 34.14 1n52 n LYS 241 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1n52 n ASP 242 N -0.88 2.87 -1.82 -5.58 8.00 0.33 -4.95 116.55 114.52 1n52 n ASP 242 Ca 0.04 -2.56 -0.15 0.00 0.71 0.00 0.00 54.79 52.83 1n52 n ASP 242 Cb 0.02 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 1n52 n ASP 242 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1n52 n ARG 243 N -0.47 -1.95 -3.79 -1.24 1.74 0.20 -3.27 116.66 107.88 1n52 n ARG 243 Ca 0.13 0.67 -0.23 0.00 -0.77 0.00 0.00 57.85 57.66 1n52 n ARG 243 Cb 0.58 -4.96 0.01 0.00 -1.02 0.00 0.00 32.46 27.07 1n52 n ARG 243 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1n52 n TRP 244 N -4.05 -1.83 -3.92 -1.55 7.02 0.10 -4.93 117.44 108.28 1n52 n TRP 244 Ca -0.14 0.81 -0.30 0.00 -1.02 0.00 0.00 57.50 56.85 1n52 n TRP 244 Cb 0.61 -4.18 -0.14 0.00 -2.42 0.00 0.00 31.31 25.18 1n52 n TRP 244 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1n52 s GLN 245 N -6.17 1.66 0.37 -0.99 -0.21 -1.20 -4.43 119.66 108.69 1n52 s GLN 245 Ca 0.01 -2.24 -0.01 0.00 0.02 0.00 0.00 55.36 53.14 1n52 s GLN 245 Cb -0.00 -3.05 -0.03 0.00 1.00 0.00 0.00 33.01 30.92 1n52 s GLN 245 CO 0.84 -1.07 0.60 -1.83 -2.12 0.00 0.00 175.29 171.71 1n52 s GLU 246 N 0.23 3.50 -0.31 2.91 4.04 -1.26 -5.03 118.70 122.78 1n52 s GLU 246 Ca 0.15 -0.22 0.10 0.00 0.04 0.00 0.00 54.97 55.05 1n52 s GLU 246 Cb -0.23 -2.60 0.46 0.00 0.02 0.00 0.00 34.13 31.78 1n52 s GLU 246 CO -0.03 0.08 1.15 2.89 -1.84 0.00 0.00 175.26 177.50 1n52 n ARG 247 N -1.86 3.07 0.07 -4.83 1.85 -1.26 -4.84 116.66 108.86 1n52 n ARG 247 Ca -0.04 -4.05 0.00 0.00 -1.00 0.00 0.00 57.85 52.77 1n52 n ARG 247 Cb 0.56 -2.08 0.00 0.00 -1.05 0.00 0.00 32.46 29.89 1n52 n ARG 247 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1n52 n HIS 248 N -0.61 -1.00 -1.45 2.89 -0.00 -1.26 -4.17 115.22 109.62 1n52 n HIS 248 Ca 0.34 0.18 -0.46 0.00 0.46 0.00 0.00 57.72 58.24 1n52 n HIS 248 Cb 0.87 0.35 -0.10 0.00 -0.12 0.00 0.00 29.99 30.99 1n52 n HIS 248 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1n52 n ILE 249 N -3.18 0.03 -1.84 3.57 5.41 -1.26 -3.55 119.36 118.54 1n52 n ILE 249 Ca 0.00 -0.22 -0.41 0.00 1.00 0.00 0.00 62.75 63.12 1n52 n ILE 249 Cb 0.08 -1.25 -0.00 0.00 -0.71 0.00 0.00 39.64 37.76 1n52 n ILE 249 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1n52 s LEU 250 N 8.71 4.33 -0.38 1.39 1.43 -1.26 -4.99 118.68 127.90 1n52 s LEU 250 Ca 1.19 3.00 0.01 0.00 -1.03 0.00 0.00 54.13 57.30 1n52 s LEU 250 Cb -0.98 -3.67 0.12 0.00 0.03 0.00 0.00 46.19 41.69 1n52 s LEU 250 CO 0.47 -0.83 0.19 -0.13 0.23 0.00 0.00 176.35 176.28 1n52 s ARG 251 N -2.03 0.99 0.36 1.70 0.52 -1.26 -4.77 118.95 114.47 1n52 s ARG 251 Ca 0.52 -1.60 0.09 0.00 -0.52 0.00 0.00 55.73 54.22 1n52 s ARG 251 Cb -0.46 -2.08 0.69 0.00 0.52 0.00 0.00 34.95 33.62 1n52 s ARG 251 CO 0.62 -1.11 1.85 -1.35 0.02 0.00 0.00 175.30 175.33 1n52 h PRO 252 N 7.22 0.22 -0.04 3.54 0.11 -1.95 -2.17 132.00 138.94 1n52 h PRO 252 Ca -0.04 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1n52 h PRO 252 Cb 0.96 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1n52 h PRO 252 CO 0.45 0.44 0.00 2.48 -0.21 0.00 0.00 178.00 181.16 1n52 n TYR 253 N -4.19 0.00 -0.04 0.65 0.18 -1.26 -1.43 117.16 111.07 1n52 n TYR 253 Ca -0.01 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.62 1n52 n TYR 253 Cb 0.33 -0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.15 1n52 n TYR 253 CO 0.00 0.00 0.00 -0.11 -2.08 0.00 0.00 176.86 174.67 1n52 n LEU 254 N -0.40 1.74 -0.77 -3.48 0.00 -0.81 -4.07 117.00 109.21 1n52 n LEU 254 Ca 0.00 0.21 0.04 0.00 0.00 0.00 0.00 56.01 56.26 1n52 n LEU 254 Cb 0.01 -0.44 0.15 0.00 0.00 0.00 0.00 43.42 43.14 1n52 n LEU 254 CO 0.00 0.66 0.57 0.00 0.00 0.00 0.00 177.39 178.62 1n52 n ALA 255 N -2.85 2.70 -2.10 1.96 0.00 -0.52 -3.70 120.51 116.01 1n52 n ALA 255 Ca -0.29 -0.64 0.04 0.00 0.00 0.00 0.00 53.44 52.55 1n52 n ALA 255 Cb 1.06 -1.01 0.10 0.00 0.00 0.00 0.00 19.45 19.60 1n52 n ALA 255 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1n52 n PHE 256 N 0.35 0.14 0.01 0.00 3.72 -1.25 -4.81 117.46 115.60 1n52 n PHE 256 Ca 0.11 -1.06 -0.01 0.00 -0.05 0.00 0.00 57.45 56.44 1n52 n PHE 256 Cb 0.41 -0.20 0.27 0.00 -0.94 0.00 0.00 39.48 39.02 1n52 n PHE 256 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1n52 h ASP 257 N 1.10 0.48 -0.29 4.37 3.58 -1.75 -0.80 116.42 123.10 1n52 h ASP 257 Ca -0.11 -0.11 0.07 0.00 0.42 0.00 0.00 57.03 57.30 1n52 h ASP 257 Cb 1.47 -0.13 -0.08 0.00 1.72 0.00 0.00 39.33 42.32 1n52 h ASP 257 CO 0.08 0.61 -0.25 0.28 -2.88 0.00 0.00 179.24 177.08 1n52 h SER 258 N 0.47 -0.81 0.14 2.28 0.02 -1.91 -0.96 113.55 112.78 1n52 h SER 258 Ca 0.09 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1n52 h SER 258 Cb 0.43 0.39 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1n52 h SER 258 CO 0.02 -0.28 -0.07 0.40 -1.14 0.00 0.00 176.83 175.77 1n52 h ILE 259 N -0.23 0.00 -0.64 3.27 2.04 -1.89 -3.35 117.51 116.72 1n52 h ILE 259 Ca 0.15 -0.54 0.19 0.00 1.00 0.00 0.00 64.86 65.66 1n52 h ILE 259 Cb 0.47 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 1n52 h ILE 259 CO -0.43 0.00 0.65 -0.07 0.00 0.00 0.00 178.15 178.30 1n52 h LEU 260 N -0.72 0.00 0.00 1.44 3.38 -1.20 -3.04 115.31 115.16 1n52 h LEU 260 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1n52 h LEU 260 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1n52 h LEU 260 CO 0.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1n52 n GLU 262 N -2.40 0.40 -1.96 0.00 0.28 -1.15 -4.81 120.64 111.00 1n52 n GLU 262 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.66 1n52 n GLU 262 Cb 0.00 -1.22 0.03 0.00 1.43 0.00 0.00 31.44 31.69 1n52 n GLU 262 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1n52 s ALA 263 N -2.00 2.53 -0.45 -1.84 0.00 -0.86 -4.99 121.76 114.15 1n52 s ALA 263 Ca 0.08 0.76 -0.14 0.00 0.00 0.00 0.00 51.96 52.66 1n52 s ALA 263 Cb 0.04 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 19.85 1n52 s ALA 263 CO 0.06 -1.12 0.35 -0.51 0.00 0.00 0.00 175.76 174.54 1n52 s LEU 264 N -4.36 5.44 1.16 0.00 1.43 -1.26 -4.97 118.68 116.11 1n52 s LEU 264 Ca 0.72 -1.30 -0.13 0.00 -1.03 0.00 0.00 54.13 52.38 1n52 s LEU 264 Cb -0.24 -2.13 0.28 0.00 0.03 0.00 0.00 46.19 44.12 1n52 s LEU 264 CO 0.35 -0.59 1.03 -1.10 0.23 0.00 0.00 176.35 176.27 1n52 s GLN 265 N 1.60 -0.86 0.45 1.70 1.11 -1.26 -4.84 119.66 117.56 1n52 s GLN 265 Ca 0.04 0.82 0.03 0.00 0.01 0.00 0.00 55.36 56.25 1n52 s GLN 265 Cb -0.23 -1.56 -0.02 0.00 -1.01 0.00 0.00 33.01 30.18 1n52 s GLN 265 CO 0.06 -3.68 0.05 -1.01 0.01 0.00 0.00 175.29 170.73 1n52 s HIS 266 N -2.50 1.89 -0.20 0.91 3.76 -0.07 -4.82 115.29 114.26 1n52 s HIS 266 Ca 0.68 -1.06 0.01 0.00 -0.15 0.00 0.00 55.06 54.54 1n52 s HIS 266 Cb -0.25 -1.43 0.04 0.00 1.11 0.00 0.00 32.58 32.06 1n52 s HIS 266 CO 0.64 0.03 -0.10 -0.80 -0.85 0.00 0.00 174.74 173.66 1n52 s ASN 267 N -3.74 3.41 0.14 1.40 -0.87 -1.26 0.60 114.94 114.62 1n52 s ASN 267 Ca 0.16 -0.90 -0.31 0.00 -1.57 0.00 0.00 52.86 50.24 1n52 s ASN 267 Cb 0.03 -1.23 -0.10 0.00 -0.02 0.00 0.00 41.25 39.93 1n52 s ASN 267 CO 0.09 -0.15 1.64 -0.76 -2.57 0.00 0.00 177.10 175.36 1n52 s LEU 268 N 1.39 4.37 0.83 0.60 1.43 -1.26 -4.95 118.68 121.10 1n52 s LEU 268 Ca -0.01 2.63 -0.13 0.00 -1.03 0.00 0.00 54.13 55.59 1n52 s LEU 268 Cb -0.16 -3.58 0.06 0.00 0.03 0.00 0.00 46.19 42.53 1n52 s LEU 268 CO -0.08 -0.88 0.91 -2.65 0.23 0.00 0.00 176.35 173.87 1n52 n PRO 269 N 4.62 0.04 -1.53 1.29 -0.02 -1.26 -4.80 135.00 133.34 1n52 n PRO 269 Ca 0.15 0.08 -0.50 0.00 -2.02 0.00 0.00 63.50 61.21 1n52 n PRO 269 Cb 0.39 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 1n52 n PRO 269 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1n52 n PRO 270 N -2.58 1.37 -3.14 0.52 -0.02 -1.26 -4.90 135.00 124.99 1n52 n PRO 270 Ca 0.11 0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 1n52 n PRO 270 Cb 0.51 -2.53 -0.07 0.00 -0.02 0.00 0.00 33.50 31.39 1n52 n PRO 270 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1n52 s PHE 271 N 6.43 3.14 -0.46 6.00 2.19 -1.26 -5.03 117.98 128.99 1n52 s PHE 271 Ca 1.05 0.23 -0.10 0.00 0.33 0.00 0.00 56.93 58.43 1n52 s PHE 271 Cb -0.80 -3.13 0.10 0.00 -1.31 0.00 0.00 43.02 37.88 1n52 s PHE 271 CO 0.50 -0.66 0.33 0.99 1.83 0.00 0.00 175.22 178.22 1n52 s THR 272 N 2.66 4.38 0.14 0.12 2.01 -1.26 -4.88 115.64 118.81 1n52 s THR 272 Ca 0.23 -1.57 -0.33 0.00 0.31 0.00 0.00 61.69 60.33 1n52 s THR 272 Cb -0.15 -3.78 -0.17 0.00 0.01 0.00 0.00 72.50 68.41 1n52 s THR 272 CO 0.15 -0.67 1.02 -2.65 -0.69 0.00 0.00 174.62 171.78 1n52 n PRO 273 N 4.96 0.70 -1.69 4.92 -0.02 -1.26 -4.84 135.00 137.77 1n52 n PRO 273 Ca -0.10 0.25 -0.44 0.00 -2.02 0.00 0.00 63.50 61.19 1n52 n PRO 273 Cb 0.42 -1.65 -0.03 0.00 -0.02 0.00 0.00 33.50 32.21 1n52 n PRO 273 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1n52 n PRO 274 N 1.54 2.27 -1.72 0.52 -0.02 -1.26 -4.91 135.00 131.42 1n52 n PRO 274 Ca 0.17 0.81 -0.43 0.00 -2.02 0.00 0.00 63.50 62.03 1n52 n PRO 274 Cb 0.21 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.11 1n52 n PRO 274 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1n52 n PRO 275 N 2.75 2.61 -1.66 0.52 -0.02 -1.26 -4.90 135.00 133.03 1n52 n PRO 275 Ca 0.13 0.94 -0.42 0.00 -2.02 0.00 0.00 63.50 62.13 1n52 n PRO 275 Cb 0.32 -2.73 -0.03 0.00 -0.02 0.00 0.00 33.50 31.03 1n52 n PRO 275 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1n52 n HIS 276 N 3.06 2.52 -4.12 6.00 -0.00 -1.26 -4.98 115.22 116.44 1n52 n HIS 276 Ca 0.13 -0.35 -0.26 0.00 -0.00 0.00 0.00 57.72 57.24 1n52 n HIS 276 Cb 0.34 -2.80 -0.05 0.00 -0.00 0.00 0.00 29.99 27.49 1n52 n HIS 276 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 1n52 s THR 277 N 4.28 2.01 -1.72 3.57 -1.32 -1.26 -4.99 115.64 116.21 1n52 s THR 277 Ca 0.88 -1.66 0.23 0.00 -1.21 0.00 0.00 61.69 59.93 1n52 s THR 277 Cb -0.45 -2.67 0.54 0.00 -1.51 0.00 0.00 72.50 68.41 1n52 s THR 277 CO 0.42 0.00 1.76 -0.62 -2.21 0.00 0.00 174.62 173.97 1n52 n GLU 278 N -1.39 0.54 -0.07 7.08 4.71 -1.26 -2.10 120.64 128.13 1n52 n GLU 278 Ca -0.03 0.04 0.08 0.00 -0.01 0.00 0.00 57.16 57.23 1n52 n GLU 278 Cb 0.65 -1.50 0.11 0.00 -1.01 0.00 0.00 31.44 29.69 1n52 n GLU 278 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1n52 n ASP 279 N -1.14 2.61 -4.78 1.62 9.92 -1.26 -4.98 116.55 118.54 1n52 n ASP 279 Ca 0.14 -1.76 -0.37 0.00 -0.53 0.00 0.00 54.79 52.27 1n52 n ASP 279 Cb 0.13 -0.10 -0.06 0.00 -0.64 0.00 0.00 41.12 40.45 1n52 n ASP 279 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1n52 s SER 280 N -1.22 7.26 -0.10 -2.24 0.01 -0.89 -4.95 113.70 111.56 1n52 s SER 280 Ca 0.23 1.91 -0.03 0.00 1.31 0.00 0.00 55.95 59.36 1n52 s SER 280 Cb 0.14 -2.59 0.05 0.00 0.21 0.00 0.00 66.02 63.84 1n52 s SER 280 CO 0.20 -0.13 0.13 -0.69 0.41 0.00 0.00 173.24 173.17 1n52 s VAL 281 N -1.56 -0.20 0.11 3.43 1.01 -1.26 -4.96 120.40 116.97 1n52 s VAL 281 Ca 0.50 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.78 1n52 s VAL 281 Cb -0.21 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 1n52 s VAL 281 CO 0.26 0.05 0.02 -0.31 0.00 0.00 0.00 175.10 175.13 1n52 s TYR 282 N 2.24 3.00 0.44 5.22 1.51 -1.26 -4.81 117.35 123.69 1n52 s TYR 282 Ca 0.04 -0.04 -0.23 0.00 -1.01 0.00 0.00 57.07 55.84 1n52 s TYR 282 Cb -0.13 -1.51 -0.11 0.00 -0.11 0.00 0.00 41.96 40.10 1n52 s TYR 282 CO -0.06 0.50 0.75 -2.30 -1.11 0.00 0.00 175.55 173.33 1n52 n PRO 283 N 0.31 0.88 -2.12 -1.71 -0.02 -1.26 -4.94 135.00 126.13 1n52 n PRO 283 Ca -0.10 0.32 -0.32 0.00 -2.02 0.00 0.00 63.50 61.38 1n52 n PRO 283 Cb 0.53 -1.76 -0.01 0.00 -0.02 0.00 0.00 33.50 32.24 1n52 n PRO 283 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1n52 s MET 284 N -1.85 3.61 0.89 -0.52 -1.94 -1.26 -4.89 119.30 113.34 1n52 s MET 284 Ca 0.64 0.98 -0.11 0.00 -1.71 0.00 0.00 55.69 55.50 1n52 s MET 284 Cb -0.57 -2.08 0.13 0.00 2.01 0.00 0.00 34.83 34.32 1n52 s MET 284 CO 0.56 -0.55 1.11 -1.25 -0.01 0.00 0.00 175.02 174.88 1n52 s PRO 285 N -4.37 1.30 0.18 2.03 0.04 -1.26 -5.06 135.00 127.86 1n52 s PRO 285 Ca 0.59 1.23 0.02 0.00 0.04 0.00 0.00 61.00 62.88 1n52 s PRO 285 Cb -0.12 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 1n52 s PRO 285 CO 0.39 -2.33 0.00 1.03 0.04 0.00 0.00 177.00 176.13 1n52 s ARG 286 N -4.77 1.13 -0.08 4.56 0.52 -1.26 -4.98 118.95 114.07 1n52 s ARG 286 Ca 0.64 -1.54 0.04 0.00 -0.52 0.00 0.00 55.73 54.35 1n52 s ARG 286 Cb -0.20 -0.29 0.00 0.00 0.52 0.00 0.00 34.95 34.98 1n52 s ARG 286 CO 0.58 -0.13 -0.19 0.08 0.02 0.00 0.00 175.30 175.66 1n52 s VAL 287 N -3.64 1.67 -0.24 3.52 1.01 -1.26 -0.44 120.40 121.02 1n52 s VAL 287 Ca 0.24 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 1n52 s VAL 287 Cb 0.06 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1n52 s VAL 287 CO 0.04 0.47 1.34 -0.63 0.00 0.00 0.00 175.10 176.32 1n52 s ILE 288 N 0.36 4.11 0.03 2.22 -1.09 0.95 -4.89 121.20 122.89 1n52 s ILE 288 Ca -0.14 1.29 -0.30 0.00 -2.23 0.00 0.00 60.65 59.27 1n52 s ILE 288 Cb -0.16 -4.03 -0.05 0.00 -1.58 0.00 0.00 42.46 36.64 1n52 s ILE 288 CO 0.06 -0.33 1.25 0.12 -1.23 0.00 0.00 174.94 174.81 1n52 s PHE 289 N 4.18 3.27 -0.06 3.97 5.36 -1.26 -4.01 117.98 129.43 1n52 s PHE 289 Ca 0.58 1.17 -0.02 0.00 -0.96 0.00 0.00 56.93 57.69 1n52 s PHE 289 Cb -0.20 -3.49 0.04 0.00 -0.34 0.00 0.00 43.02 39.03 1n52 s PHE 289 CO 0.21 -1.59 0.12 0.50 -1.46 0.00 0.00 175.22 173.00 1n52 s ARG 290 N 1.54 0.04 0.00 10.12 6.06 -1.26 -4.99 118.95 130.46 1n52 s ARG 290 Ca 0.60 0.39 0.00 0.00 -2.50 0.00 0.00 55.73 54.21 1n52 s ARG 290 Cb -0.29 -0.24 0.00 0.00 0.06 0.00 0.00 34.95 34.47 1n52 s ARG 290 CO 0.27 -0.22 0.00 0.00 -2.50 0.00 0.00 175.30 172.86 1n52 n MET 291 N 4.57 4.01 -4.27 5.12 0.00 -1.26 -4.81 117.12 120.48 1n52 n MET 291 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.26 1n52 n MET 291 Cb 0.51 -0.51 -0.08 0.00 0.00 0.00 0.00 33.22 33.14 1n52 n MET 291 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1n52 s PHE 292 N -0.41 2.73 0.16 3.17 0.08 -1.26 -5.00 117.98 117.44 1n52 s PHE 292 Ca 0.00 -0.20 -0.11 0.00 0.12 0.00 0.00 56.93 56.74 1n52 s PHE 292 Cb 0.00 -1.25 0.00 0.00 -0.57 0.00 0.00 43.02 41.20 1n52 s PHE 292 CO 0.00 0.58 0.33 0.16 -0.10 0.00 0.00 175.22 176.19 1n52 s ASP 293 N -3.39 -0.03 0.63 1.36 1.47 -1.26 -4.93 116.67 110.51 1n52 s ASP 293 Ca 0.30 -0.72 0.30 0.00 1.18 0.00 0.00 52.55 53.61 1n52 s ASP 293 Cb -0.07 0.45 1.66 0.00 -0.34 0.00 0.00 42.92 44.62 1n52 s ASP 293 CO 0.19 -0.90 1.99 0.10 0.68 0.00 0.00 175.17 177.23 1n52 h TYR 294 N 2.49 0.00 0.00 2.11 -0.00 -1.90 0.76 116.97 120.43 1n52 h TYR 294 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.41 1n52 h TYR 294 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.96 1n52 h TYR 294 CO 0.39 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 178.80 1n52 n THR 295 N -3.36 0.64 1.50 -0.90 -2.24 -1.26 -2.34 114.28 106.32 1n52 n THR 295 Ca 0.02 0.03 0.15 0.00 -2.27 0.00 0.00 64.05 61.97 1n52 n THR 295 Cb 0.42 -0.84 0.76 0.00 -2.10 0.00 0.00 70.33 68.57 1n52 n THR 295 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1n52 n ASP 296 N -1.99 0.09 -3.09 3.42 8.00 0.26 -3.85 116.55 119.38 1n52 n ASP 296 Ca 0.04 -0.34 -0.17 0.00 0.71 0.00 0.00 54.79 55.03 1n52 n ASP 296 Cb 0.30 -0.20 -0.01 0.00 -0.02 0.00 0.00 41.12 41.18 1n52 n ASP 296 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1n52 n ASP 297 N -1.18 0.03 -0.17 -2.24 2.03 -0.99 -5.01 116.55 109.03 1n52 n ASP 297 Ca 0.16 -3.09 -0.08 0.00 0.52 0.00 0.00 54.79 52.30 1n52 n ASP 297 Cb 0.23 -0.09 -0.02 0.00 -0.72 0.00 0.00 41.12 40.52 1n52 n ASP 297 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1n52 h PRO 298 N 3.20 -0.24 -3.54 -0.67 0.13 -1.66 -2.88 132.00 126.34 1n52 h PRO 298 Ca 0.05 0.02 -0.76 0.00 -0.87 0.00 0.00 66.00 64.44 1n52 h PRO 298 Cb 0.98 0.05 -0.16 0.00 0.13 0.00 0.00 31.00 32.00 1n52 h PRO 298 CO 0.42 -0.16 1.92 0.39 -0.23 0.00 0.00 178.00 180.34 1n52 n GLU 299 N -5.42 3.66 -3.52 0.86 1.02 -1.26 -4.86 120.64 111.11 1n52 n GLU 299 Ca 0.02 -3.60 -0.08 0.00 -0.02 0.00 0.00 57.16 53.47 1n52 n GLU 299 Cb 0.35 -2.91 -0.02 0.00 -0.02 0.00 0.00 31.44 28.84 1n52 n GLU 299 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1n52 s GLY 300 N 0.83 -0.43 0.14 0.62 0.00 -1.09 -5.12 107.32 102.26 1n52 s GLY 300 Ca 0.39 1.07 -0.34 0.00 0.00 0.00 0.00 44.72 45.84 1n52 s GLY 300 CO 0.01 0.35 1.54 -1.55 0.00 0.00 0.00 173.10 173.45 1n52 n PRO 301 N -0.23 1.95 -1.56 2.90 -0.04 -1.26 -4.78 135.00 131.97 1n52 n PRO 301 Ca -0.07 0.70 -0.54 0.00 -0.04 0.00 0.00 63.50 63.55 1n52 n PRO 301 Cb 0.61 -2.45 -0.07 0.00 -0.04 0.00 0.00 33.50 31.56 1n52 n PRO 301 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1n52 n VAL 302 N 3.28 0.00 -2.78 0.52 0.31 -1.26 -3.90 118.33 114.51 1n52 n VAL 302 Ca 0.17 -0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.09 1n52 n VAL 302 Cb 0.27 -0.55 -0.04 0.00 -0.91 0.00 0.00 33.84 32.61 1n52 n VAL 302 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1n52 s MET 303 N 0.37 4.56 0.31 5.55 1.75 -1.26 -4.66 119.30 125.91 1n52 s MET 303 Ca 0.87 1.32 -0.29 0.00 -1.25 0.00 0.00 55.69 56.34 1n52 s MET 303 Cb -1.06 -3.44 -0.13 0.00 2.84 0.00 0.00 34.83 33.04 1n52 s MET 303 CO 0.50 0.02 1.28 -2.30 -0.65 0.00 0.00 175.02 173.87 1n52 n PRO 304 N 3.67 1.99 -0.99 4.11 -0.02 -1.26 -4.54 135.00 137.95 1n52 n PRO 304 Ca 0.04 0.70 -0.31 0.00 -2.02 0.00 0.00 63.50 61.91 1n52 n PRO 304 Cb 0.51 -2.27 0.14 0.00 -0.02 0.00 0.00 33.50 31.86 1n52 n PRO 304 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1n52 s GLY 305 N -0.20 1.66 0.53 -1.23 0.00 -1.26 -4.79 107.32 102.03 1n52 s GLY 305 Ca 0.59 0.29 0.19 0.00 0.00 0.00 0.00 44.72 45.79 1n52 s GLY 305 CO 0.59 0.72 2.14 1.76 0.00 0.00 0.00 173.10 178.31 1n52 h SER 306 N -1.59 0.00 -0.58 1.64 0.02 -1.91 -1.46 113.55 109.67 1n52 h SER 306 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1n52 h SER 306 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1n52 h SER 306 CO 0.48 0.00 0.00 1.41 -1.14 0.00 0.00 176.83 177.58 1n52 n HIS 307 N -4.44 1.65 -3.61 3.45 8.25 -1.26 -4.88 115.22 114.38 1n52 n HIS 307 Ca -0.01 -0.68 -0.36 0.00 -0.26 0.00 0.00 57.72 56.41 1n52 n HIS 307 Cb 0.16 -0.35 -0.06 0.00 1.12 0.00 0.00 29.99 30.86 1n52 n HIS 307 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1n52 s SER 308 N -0.96 6.64 0.49 0.41 1.04 -0.55 -4.26 113.70 116.51 1n52 s SER 308 Ca 0.51 0.78 0.24 0.00 0.48 0.00 0.00 55.95 57.96 1n52 s SER 308 Cb 0.36 -2.18 1.28 0.00 0.10 0.00 0.00 66.02 65.58 1n52 s SER 308 CO 0.20 0.25 2.01 -0.37 0.98 0.00 0.00 173.24 176.30 1n52 h VAL 309 N 3.21 0.68 -0.68 5.02 -1.51 -1.87 -1.75 116.25 119.35 1n52 h VAL 309 Ca -0.50 -0.68 0.06 0.00 -1.23 0.00 0.00 66.70 64.34 1n52 h VAL 309 Cb 1.20 1.42 -0.04 0.00 -2.13 0.00 0.00 31.29 31.75 1n52 h VAL 309 CO 0.64 0.16 0.45 -0.33 -1.23 0.00 0.00 177.57 177.26 1n52 h GLU 310 N 0.00 0.70 -0.08 5.19 3.07 -1.92 0.12 114.58 121.65 1n52 h GLU 310 Ca -0.00 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1n52 h GLU 310 Cb 0.41 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1n52 h GLU 310 CO 0.02 0.46 0.02 -0.09 -1.40 0.00 0.00 179.01 178.03 1n52 h ARG 311 N 0.72 0.13 0.52 2.33 9.65 -1.53 0.11 114.38 126.31 1n52 h ARG 311 Ca 0.29 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.12 1n52 h ARG 311 Cb 0.21 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 1n52 h ARG 311 CO -0.09 0.31 -0.46 0.35 2.80 0.00 0.00 179.97 182.89 1n52 h PHE 312 N -0.08 -1.26 -0.59 2.20 3.57 -1.35 -0.90 116.94 118.53 1n52 h PHE 312 Ca 0.03 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.63 1n52 h PHE 312 Cb 0.24 0.48 -0.07 0.00 2.79 0.00 0.00 35.95 39.39 1n52 h PHE 312 CO 0.00 -0.62 0.20 0.28 -2.23 0.00 0.00 178.31 175.94 1n52 h VAL 313 N -0.96 0.75 -0.51 1.41 2.07 -1.02 0.11 116.25 118.10 1n52 h VAL 313 Ca -0.07 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1n52 h VAL 313 Cb 0.81 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1n52 h VAL 313 CO -0.02 0.07 0.30 0.40 0.02 0.00 0.00 177.57 178.33 1n52 h ILE 314 N 0.37 1.16 -0.08 4.57 2.04 -0.70 -1.26 117.51 123.61 1n52 h ILE 314 Ca 0.30 -0.38 -0.14 0.00 1.00 0.00 0.00 64.86 65.64 1n52 h ILE 314 Cb 0.39 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1n52 h ILE 314 CO -0.32 0.17 -0.57 -0.33 0.00 0.00 0.00 178.15 177.09 1n52 h GLU 315 N 0.68 0.24 -0.03 2.37 5.08 -0.77 -2.34 114.58 119.81 1n52 h GLU 315 Ca 0.18 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1n52 h GLU 315 Cb 0.01 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1n52 h GLU 315 CO -0.03 0.75 0.02 1.49 -1.00 0.00 0.00 179.01 180.23 1n52 h GLU 316 N 0.19 0.04 -0.69 2.33 4.57 -0.40 0.15 114.58 120.76 1n52 h GLU 316 Ca -0.00 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 1n52 h GLU 316 Cb 1.06 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.61 1n52 h GLU 316 CO 0.09 0.13 0.21 -0.91 -1.18 0.00 0.00 179.01 177.35 1n52 h ASN 317 N -0.06 1.01 -0.75 1.04 2.35 -1.24 0.04 115.58 117.98 1n52 h ASN 317 Ca 0.01 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 55.49 1n52 h ASN 317 Cb 0.10 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 1n52 h ASN 317 CO -0.00 0.95 0.22 -0.07 -1.65 0.00 0.00 177.43 176.88 1n52 h LEU 318 N 1.01 1.10 -0.56 1.61 3.38 -1.14 0.11 115.31 120.82 1n52 h LEU 318 Ca 0.22 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1n52 h LEU 318 Cb 0.31 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1n52 h LEU 318 CO -0.01 1.02 0.10 0.45 0.09 0.00 0.00 178.44 180.09 1n52 h HIS 319 N 1.12 0.98 -0.08 1.13 3.86 -0.41 -2.33 115.15 119.42 1n52 h HIS 319 Ca 0.24 -0.13 -0.10 0.00 -1.16 0.00 0.00 60.37 59.22 1n52 h HIS 319 Cb 0.32 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 1n52 h HIS 319 CO 0.03 0.86 -0.40 0.00 0.86 0.00 0.00 177.93 179.28 1n52 h ILE 321 N 0.14 1.28 -0.26 0.00 2.04 -0.53 -1.93 117.51 118.24 1n52 h ILE 321 Ca 0.01 -1.30 -0.08 0.00 1.00 0.00 0.00 64.86 64.50 1n52 h ILE 321 Cb 0.77 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1n52 h ILE 321 CO 0.06 0.43 -0.17 0.40 0.00 0.00 0.00 178.15 178.87 1n52 h ILE 322 N 0.62 1.24 0.00 -0.67 2.04 -1.24 -1.74 117.51 117.76 1n52 h ILE 322 Ca 0.09 -1.10 -0.07 0.00 1.00 0.00 0.00 64.86 64.78 1n52 h ILE 322 Cb 0.72 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1n52 h ILE 322 CO 0.05 0.35 -0.35 0.50 0.00 0.00 0.00 178.15 178.71 1n52 h LYS 323 N 0.42 0.00 0.00 2.37 3.64 -1.07 0.92 116.57 122.85 1n52 h LYS 323 Ca 0.07 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.27 1n52 h LYS 323 Cb 0.55 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 1n52 h LYS 323 CO 0.04 0.35 -1.17 0.77 -2.27 0.00 0.00 179.45 177.16 1n52 h SER 324 N 0.00 0.00 0.00 4.20 0.02 -0.82 -3.39 113.55 113.57 1n52 h SER 324 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1n52 h SER 324 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1n52 h SER 324 CO 0.05 0.72 -0.03 1.41 -1.14 0.00 0.00 176.83 177.84 1n52 n HIS 325 N -3.08 0.00 -0.23 3.45 8.25 -0.70 -4.81 115.22 118.09 1n52 n HIS 325 Ca -0.06 -0.63 0.23 0.00 -0.26 0.00 0.00 57.72 57.00 1n52 n HIS 325 Cb 0.87 -0.08 0.60 0.00 1.12 0.00 0.00 29.99 32.50 1n52 n HIS 325 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 1n52 h TRP 326 N 0.00 0.34 0.00 4.41 5.08 -1.01 -1.21 115.95 123.56 1n52 h TRP 326 Ca 0.00 0.01 -0.07 0.00 1.08 0.00 0.00 58.89 59.91 1n52 h TRP 326 Cb 0.77 -0.10 -0.01 0.00 -3.00 0.00 0.00 29.16 26.82 1n52 h TRP 326 CO 0.01 0.07 -0.35 0.87 -1.28 0.00 0.00 178.44 177.76 1n52 h LYS 327 N 0.24 0.00 -4.63 0.12 1.57 -1.87 -3.39 116.57 108.62 1n52 h LYS 327 Ca 0.47 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.57 1n52 h LYS 327 Cb 1.44 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 33.38 1n52 h LYS 327 CO -0.12 0.35 -0.65 -1.21 -0.57 0.00 0.00 179.45 177.25 1n52 s GLU 328 N -3.88 1.83 0.27 3.15 2.02 -0.46 -5.00 118.70 116.64 1n52 s GLU 328 Ca -0.01 -1.76 -0.04 0.00 0.02 0.00 0.00 54.97 53.17 1n52 s GLU 328 Cb 0.13 -3.34 0.35 0.00 0.10 0.00 0.00 34.13 31.37 1n52 s GLU 328 CO 0.69 -0.94 1.95 0.07 0.02 0.00 0.00 175.26 177.04 1n52 h ARG 329 N 7.84 1.21 -0.33 1.61 0.11 -1.76 -1.23 114.38 121.83 1n52 h ARG 329 Ca -0.10 -0.07 -0.15 0.00 0.10 0.00 0.00 59.98 59.75 1n52 h ARG 329 Cb 1.04 -0.27 -0.00 0.00 1.11 0.00 0.00 29.97 31.84 1n52 h ARG 329 CO 0.59 0.80 -0.39 -0.22 0.10 0.00 0.00 179.97 180.85 1n52 h LYS 330 N 1.25 0.84 -0.53 0.08 1.63 -1.94 -2.03 116.57 115.86 1n52 h LYS 330 Ca 0.34 -0.47 -0.10 0.00 -0.85 0.00 0.00 60.65 59.57 1n52 h LYS 330 Cb -0.13 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 1n52 h LYS 330 CO -0.08 1.10 -0.06 1.15 -3.45 0.00 0.00 179.45 178.11 1n52 h THR 331 N 0.62 1.27 -0.17 1.00 2.02 -1.88 -3.04 112.91 112.72 1n52 h THR 331 Ca 0.04 -1.20 0.03 0.00 0.77 0.00 0.00 66.41 66.06 1n52 h THR 331 Cb 0.98 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 1n52 h THR 331 CO 0.09 0.42 -0.03 0.00 0.37 0.00 0.00 175.52 176.38 1n52 h ALA 333 N 1.16 1.05 -0.77 0.00 0.00 -1.37 -1.94 119.26 117.40 1n52 h ALA 333 Ca 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1n52 h ALA 333 Cb 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1n52 h ALA 333 CO -0.16 0.21 0.32 0.00 0.00 0.00 0.00 179.25 179.61 1n52 h ALA 334 N 1.37 1.11 -0.02 0.00 0.00 -1.33 0.85 119.26 121.24 1n52 h ALA 334 Ca 0.33 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1n52 h ALA 334 Cb 0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1n52 h ALA 334 CO -0.16 0.64 -0.63 1.96 0.00 0.00 0.00 179.25 181.06 1n52 h GLN 335 N 1.11 0.06 0.27 0.00 1.08 -0.83 -2.35 115.11 114.44 1n52 h GLN 335 Ca 0.26 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 1n52 h GLN 335 Cb 0.19 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1n52 h GLN 335 CO -0.02 0.68 -0.13 -0.07 -0.95 0.00 0.00 178.83 178.34 1n52 h LEU 336 N 0.05 -0.30 -2.42 1.46 4.07 -0.86 -2.91 115.31 114.39 1n52 h LEU 336 Ca -0.01 -0.22 -0.00 0.00 0.08 0.00 0.00 57.88 57.73 1n52 h LEU 336 Cb 1.13 0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.95 1n52 h LEU 336 CO 0.09 0.17 -0.01 0.58 -1.08 0.00 0.00 178.44 178.19 1n52 h VAL 337 N -0.90 0.56 -0.72 1.22 2.07 -0.89 -0.87 116.25 116.72 1n52 h VAL 337 Ca -0.04 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1n52 h VAL 337 Cb 0.51 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1n52 h VAL 337 CO 0.06 0.01 0.00 -1.54 0.02 0.00 0.00 177.57 176.12 1n52 n SER 338 N -3.88 3.92 -4.52 0.57 3.41 -0.89 -4.98 113.62 107.25 1n52 n SER 338 Ca -0.03 -2.00 -0.51 0.00 -0.26 0.00 0.00 58.87 56.07 1n52 n SER 338 Cb 0.09 -0.48 -0.05 0.00 -0.26 0.00 0.00 64.21 63.51 1n52 n SER 338 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n52 n TYR 339 N 1.65 0.77 -3.13 7.33 9.36 -0.33 -4.87 117.16 127.94 1n52 n TYR 339 Ca 0.24 0.83 -0.43 0.00 3.32 0.00 0.00 57.90 61.86 1n52 n TYR 339 Cb 0.62 -2.17 -0.07 0.00 -0.63 0.00 0.00 39.34 37.10 1n52 n TYR 339 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1n52 s PRO 340 N -0.48 3.23 -0.17 2.98 0.04 -1.26 -5.04 135.00 134.30 1n52 s PRO 340 Ca 0.74 -0.50 -0.08 0.00 0.04 0.00 0.00 61.00 61.20 1n52 s PRO 340 Cb -0.95 -3.98 -0.04 0.00 0.04 0.00 0.00 34.50 29.56 1n52 s PRO 340 CO 0.54 -1.06 0.11 0.20 0.04 0.00 0.00 177.00 176.84 1n52 s GLY 341 N 2.15 2.03 0.13 0.56 0.00 -1.26 -4.93 107.32 106.00 1n52 s GLY 341 Ca 0.20 -0.70 -0.20 0.00 0.00 0.00 0.00 44.72 44.03 1n52 s GLY 341 CO 0.17 -0.06 1.71 1.70 0.00 0.00 0.00 173.10 176.63 1n52 h LYS 342 N 6.15 0.03 -6.61 2.90 3.64 -1.86 -3.41 116.57 117.40 1n52 h LYS 342 Ca -0.44 -0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.24 1n52 h LYS 342 Cb 1.18 -0.01 -0.26 0.00 -0.41 0.00 0.00 32.23 32.73 1n52 h LYS 342 CO 0.69 0.02 -0.85 -0.80 -2.27 0.00 0.00 179.45 176.24 1n52 s ASN 343 N -5.22 3.39 0.46 4.20 -0.87 -1.26 -5.06 114.94 110.58 1n52 s ASN 343 Ca -0.13 -0.47 -0.23 0.00 -1.57 0.00 0.00 52.86 50.46 1n52 s ASN 343 Cb 0.10 -0.45 -0.10 0.00 -0.02 0.00 0.00 41.25 40.79 1n52 s ASN 343 CO 0.69 0.29 0.94 0.29 -2.57 0.00 0.00 177.10 176.74 1n52 n LYS 344 N 1.99 1.17 -3.84 -0.60 5.02 -1.26 -5.02 118.16 115.63 1n52 n LYS 344 Ca -0.16 0.43 -0.09 0.00 -2.02 0.00 0.00 58.31 56.46 1n52 n LYS 344 Cb 0.52 -2.00 -0.07 0.00 -0.02 0.00 0.00 35.03 33.46 1n52 n LYS 344 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1n52 s ILE 345 N -1.35 0.13 -1.20 -0.18 -4.36 -1.26 -4.86 121.20 108.11 1n52 s ILE 345 Ca 0.65 -1.12 -0.18 0.00 -0.26 0.00 0.00 60.65 59.74 1n52 s ILE 345 Cb -0.53 -1.36 -0.03 0.00 1.25 0.00 0.00 42.46 41.79 1n52 s ILE 345 CO 0.55 -0.58 2.00 -0.81 0.24 0.00 0.00 174.94 176.34 1n52 n PRO 346 N -0.10 2.37 -0.14 0.37 -0.04 -1.25 -4.79 135.00 131.43 1n52 n PRO 346 Ca -0.15 -2.52 -0.06 0.00 -0.04 0.00 0.00 63.50 60.73 1n52 n PRO 346 Cb 0.63 -3.30 -0.00 0.00 -0.04 0.00 0.00 33.50 30.79 1n52 n PRO 346 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1n52 h LEU 347 N 12.72 -0.98 -0.88 1.53 5.85 -1.97 -1.96 115.31 129.63 1n52 h LEU 347 Ca 0.45 0.19 0.18 0.00 0.84 0.00 0.00 57.88 59.55 1n52 h LEU 347 Cb 0.74 0.48 -0.11 0.00 0.37 0.00 0.00 40.66 42.14 1n52 h LEU 347 CO 1.72 -0.29 0.43 0.78 -0.34 0.00 0.00 178.44 180.74 1n52 h ASN 348 N -0.20 0.46 -0.26 1.25 2.35 -1.98 0.99 115.58 118.20 1n52 h ASN 348 Ca 0.20 0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.97 1n52 h ASN 348 Cb 0.52 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 1n52 h ASN 348 CO -0.55 0.12 -0.16 1.88 -1.65 0.00 0.00 177.43 177.07 1n52 h TYR 349 N 0.53 0.77 -0.18 1.19 -1.99 -1.78 -2.03 116.97 113.49 1n52 h TYR 349 Ca 0.52 -0.15 -0.13 0.00 2.00 0.00 0.00 58.73 60.97 1n52 h TYR 349 Cb 0.87 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 39.39 1n52 h TYR 349 CO -0.10 0.81 -0.44 0.45 -0.00 0.00 0.00 178.16 178.88 1n52 h HIS 350 N 0.63 0.53 -0.26 4.88 3.86 -0.42 -1.09 115.15 123.28 1n52 h HIS 350 Ca 0.10 -0.16 -0.08 0.00 -1.16 0.00 0.00 60.37 59.07 1n52 h HIS 350 Cb 0.62 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 1n52 h HIS 350 CO 0.03 0.81 -0.16 0.82 0.86 0.00 0.00 177.93 180.29 1n52 h ILE 351 N 0.36 1.30 -0.25 2.45 2.04 -0.65 -1.14 117.51 121.63 1n52 h ILE 351 Ca 0.03 -1.27 -0.09 0.00 1.00 0.00 0.00 64.86 64.53 1n52 h ILE 351 Cb 0.92 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1n52 h ILE 351 CO 0.08 0.40 -0.20 0.58 0.00 0.00 0.00 178.15 179.00 1n52 h VAL 352 N 0.29 1.31 -0.28 1.67 2.07 -1.36 -1.91 116.25 118.05 1n52 h VAL 352 Ca 0.05 -1.34 0.01 0.00 0.82 0.00 0.00 66.70 66.24 1n52 h VAL 352 Cb 0.68 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1n52 h VAL 352 CO 0.04 0.42 0.17 -0.08 0.02 0.00 0.00 177.57 178.15 1n52 h GLU 353 N 0.30 0.34 -0.14 1.57 4.81 -1.20 -1.49 114.58 118.77 1n52 h GLU 353 Ca 0.05 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1n52 h GLU 353 Cb 0.74 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1n52 h GLU 353 CO 0.05 0.23 -0.18 0.28 -0.73 0.00 0.00 179.01 178.66 1n52 h VAL 354 N 0.35 1.20 -0.20 0.32 2.07 -1.19 0.84 116.25 119.65 1n52 h VAL 354 Ca 0.11 -0.92 -0.20 0.00 0.82 0.00 0.00 66.70 66.51 1n52 h VAL 354 Cb -0.02 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1n52 h VAL 354 CO -0.04 0.28 -0.66 0.40 0.02 0.00 0.00 177.57 177.58 1n52 h ILE 355 N 0.22 1.29 -0.01 4.57 2.04 -0.89 -2.47 117.51 122.26 1n52 h ILE 355 Ca 0.04 -1.88 -0.13 0.00 1.00 0.00 0.00 64.86 63.89 1n52 h ILE 355 Cb 0.46 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 1n52 h ILE 355 CO 0.03 0.60 -0.62 -0.26 0.00 0.00 0.00 178.15 177.90 1n52 h PHE 356 N 0.55 0.03 -0.32 1.37 0.04 -1.04 -1.19 116.94 116.37 1n52 h PHE 356 Ca -0.02 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 1n52 h PHE 356 Cb 1.26 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.39 1n52 h PHE 356 CO 0.07 0.63 0.18 0.00 -0.60 0.00 0.00 178.31 178.59 1n52 h ALA 357 N 1.37 1.72 0.15 2.45 0.00 -0.67 -0.24 119.26 124.04 1n52 h ALA 357 Ca -0.01 -0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.58 1n52 h ALA 357 Cb 1.09 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1n52 h ALA 357 CO 0.08 0.24 -1.33 0.93 0.00 0.00 0.00 179.25 179.17 1n52 h GLU 358 N 0.44 0.31 -0.47 0.00 5.08 -1.02 -3.05 114.58 115.86 1n52 h GLU 358 Ca 0.11 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1n52 h GLU 358 Cb 0.00 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1n52 h GLU 358 CO -0.02 1.25 0.26 1.25 -1.00 0.00 0.00 179.01 180.75 1n52 h LEU 359 N -0.22 0.59 -1.62 1.33 5.85 -1.03 -2.89 115.31 117.32 1n52 h LEU 359 Ca -0.27 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1n52 h LEU 359 Cb 1.82 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.70 1n52 h LEU 359 CO 0.12 0.51 0.00 0.49 -0.34 0.00 0.00 178.44 179.22 1n52 n PHE 360 N -4.68 0.66 -2.28 1.25 3.72 -0.12 -4.66 117.46 111.36 1n52 n PHE 360 Ca 0.02 -0.27 -0.42 0.00 -0.05 0.00 0.00 57.45 56.72 1n52 n PHE 360 Cb 0.08 -0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 38.49 1n52 n PHE 360 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1n52 s GLN 361 N -1.64 4.35 -0.08 -1.08 0.74 -1.09 -4.85 119.66 116.01 1n52 s GLN 361 Ca 0.24 1.93 -0.03 0.00 0.05 0.00 0.00 55.36 57.56 1n52 s GLN 361 Cb 0.15 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.86 1n52 s GLN 361 CO 0.13 -0.41 0.06 -0.51 -0.55 0.00 0.00 175.29 174.01 1n52 s LEU 362 N 1.43 3.88 0.08 3.68 1.43 -1.26 -2.72 118.68 125.21 1n52 s LEU 362 Ca 0.62 0.24 -0.17 0.00 -1.03 0.00 0.00 54.13 53.79 1n52 s LEU 362 Cb -0.33 -2.00 -0.09 0.00 0.03 0.00 0.00 46.19 43.80 1n52 s LEU 362 CO 0.29 0.36 1.44 1.55 0.23 0.00 0.00 176.35 180.21 1n52 h PRO 363 N 4.85 0.55 -5.11 1.29 0.13 -1.91 -3.47 132.00 128.34 1n52 h PRO 363 Ca -0.52 -0.25 -0.34 0.00 -0.87 0.00 0.00 66.00 64.02 1n52 h PRO 363 Cb 1.20 -0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 1n52 h PRO 363 CO 0.57 0.82 -0.72 0.00 -0.23 0.00 0.00 178.00 178.44 1n52 s ALA 364 N -4.54 1.41 0.57 -0.56 0.00 -1.10 -4.82 121.76 112.72 1n52 s ALA 364 Ca -0.13 -1.41 -0.16 0.00 0.00 0.00 0.00 51.96 50.26 1n52 s ALA 364 Cb 0.08 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 1n52 s ALA 364 CO 0.79 -0.05 1.03 -2.14 0.00 0.00 0.00 175.76 175.39 1n52 s PRO 365 N -3.42 3.53 0.30 0.00 0.02 -1.23 -4.73 135.00 129.47 1n52 s PRO 365 Ca 0.14 1.11 -0.00 0.00 0.02 0.00 0.00 61.00 62.27 1n52 s PRO 365 Cb 0.00 -2.07 0.47 0.00 0.02 0.00 0.00 34.50 32.93 1n52 s PRO 365 CO 0.01 -0.63 1.90 -1.35 -0.33 0.00 0.00 177.00 176.60 1n52 h PRO 366 N 0.57 0.87 -5.53 5.54 0.11 -1.93 -3.45 132.00 128.18 1n52 h PRO 366 Ca -0.47 -0.12 -0.57 0.00 0.11 0.00 0.00 66.00 64.96 1n52 h PRO 366 Cb 1.21 -0.16 -0.13 0.00 0.11 0.00 0.00 31.00 32.02 1n52 h PRO 366 CO 0.59 0.69 -0.61 -1.01 -0.21 0.00 0.00 178.00 177.44 1n52 s HIS 367 N -5.47 2.29 0.14 0.65 3.76 -1.26 -5.09 115.29 110.31 1n52 s HIS 367 Ca -0.10 -0.75 -0.34 0.00 -0.15 0.00 0.00 55.06 53.72 1n52 s HIS 367 Cb 0.16 -1.54 -0.14 0.00 1.11 0.00 0.00 32.58 32.18 1n52 s HIS 367 CO 0.79 0.31 1.62 1.51 -0.85 0.00 0.00 174.74 178.11 1n52 n ILE 368 N -0.84 0.06 -0.31 0.60 3.06 -1.26 -4.88 119.36 115.80 1n52 n ILE 368 Ca -0.04 -0.01 0.11 0.00 -2.50 0.00 0.00 62.75 60.31 1n52 n ILE 368 Cb 0.66 -1.60 0.25 0.00 0.54 0.00 0.00 39.64 39.49 1n52 n ILE 368 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 1n52 h ASP 369 N 6.32 -0.37 0.19 9.51 5.19 -1.98 -0.37 116.42 134.91 1n52 h ASP 369 Ca -0.45 0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 1n52 h ASP 369 Cb 1.25 0.41 0.00 0.00 0.18 0.00 0.00 39.33 41.17 1n52 h ASP 369 CO 0.90 -0.27 0.00 1.62 -3.12 0.00 0.00 179.24 178.37 1n52 h VAL 370 N 0.07 0.00 -0.34 -1.35 3.04 -2.02 -2.50 116.25 113.16 1n52 h VAL 370 Ca 0.53 -0.08 -0.09 0.00 -1.01 0.00 0.00 66.70 66.05 1n52 h VAL 370 Cb 1.05 0.81 -0.02 0.00 -2.01 0.00 0.00 31.29 31.13 1n52 h VAL 370 CO -0.80 0.00 -0.18 -0.03 -1.01 0.00 0.00 177.57 175.54 1n52 h MET 371 N 0.00 0.62 -0.04 4.17 -1.53 -1.41 -2.89 114.93 113.84 1n52 h MET 371 Ca 0.00 -0.22 -0.13 0.00 -3.44 0.00 0.00 59.70 55.91 1n52 h MET 371 Cb 0.09 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.09 1n52 h MET 371 CO 0.00 0.77 -0.56 1.88 0.14 0.00 0.00 176.91 179.15 1n52 h TYR 372 N 0.56 0.16 0.68 1.39 0.05 -1.60 -0.76 116.97 117.44 1n52 h TYR 372 Ca 0.09 -0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.78 1n52 h TYR 372 Cb 0.63 -0.03 0.01 0.00 1.01 0.00 0.00 36.73 38.35 1n52 h TYR 372 CO 0.03 0.65 -0.33 1.15 -1.05 0.00 0.00 178.16 178.61 1n52 h THR 373 N 0.10 0.25 0.00 -2.88 2.02 -1.62 -1.51 112.91 109.27 1n52 h THR 373 Ca -0.00 -0.18 -0.10 0.00 0.77 0.00 0.00 66.41 66.90 1n52 h THR 373 Cb 1.01 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1n52 h THR 373 CO 0.08 0.02 -0.46 0.71 0.37 0.00 0.00 175.52 176.24 1n52 h THR 374 N -1.06 1.11 -0.39 3.16 1.35 -1.57 -2.05 112.91 113.47 1n52 h THR 374 Ca -0.09 -1.70 -0.01 0.00 -0.55 0.00 0.00 66.41 64.06 1n52 h THR 374 Cb 0.73 1.98 -0.02 0.00 -1.73 0.00 0.00 68.15 69.11 1n52 h THR 374 CO 0.15 0.45 0.21 0.25 -0.25 0.00 0.00 175.52 176.33 1n52 h LEU 375 N 0.00 0.48 -0.97 3.87 5.85 -1.09 0.83 115.31 124.29 1n52 h LEU 375 Ca -0.00 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1n52 h LEU 375 Cb 0.94 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 1n52 h LEU 375 CO 0.06 0.43 0.44 -0.07 -0.34 0.00 0.00 178.44 178.97 1n52 h LEU 376 N 0.50 1.05 0.28 2.25 3.38 -0.95 -1.72 115.31 120.10 1n52 h LEU 376 Ca 0.14 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1n52 h LEU 376 Cb 0.06 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1n52 h LEU 376 CO -0.02 0.86 -0.13 0.40 0.09 0.00 0.00 178.44 179.63 1n52 h ILE 377 N 1.18 0.73 -0.72 1.22 2.04 -0.80 -1.17 117.51 119.99 1n52 h ILE 377 Ca 0.29 -0.02 0.18 0.00 1.00 0.00 0.00 64.86 66.31 1n52 h ILE 377 Cb 0.05 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 1n52 h ILE 377 CO -0.04 0.00 0.50 -0.33 0.00 0.00 0.00 178.15 178.28 1n52 h GLU 378 N -0.38 0.20 -0.05 2.37 4.39 -0.42 -0.04 114.58 120.65 1n52 h GLU 378 Ca -0.04 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.46 1n52 h GLU 378 Cb 0.29 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1n52 h GLU 378 CO 0.06 0.14 -0.78 -0.07 -1.16 0.00 0.00 179.01 177.20 1n52 h LEU 379 N 0.21 0.45 -0.88 1.33 3.38 -0.80 -2.61 115.31 116.39 1n52 h LEU 379 Ca 0.35 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1n52 h LEU 379 Cb 1.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1n52 h LEU 379 CO -0.07 1.07 -0.53 0.00 0.09 0.00 0.00 178.44 179.00 1n52 h LYS 381 N 0.07 0.00 0.07 0.00 1.57 -1.20 -2.69 116.57 114.38 1n52 h LYS 381 Ca -0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1n52 h LYS 381 Cb 0.95 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 1n52 h LYS 381 CO 0.07 0.27 -1.60 1.25 -0.57 0.00 0.00 179.45 178.88 1n52 h LEU 382 N 0.00 0.22 -5.38 2.94 5.85 -1.24 -3.38 115.31 114.32 1n52 h LEU 382 Ca -0.00 -0.36 -0.55 0.00 0.84 0.00 0.00 57.88 57.80 1n52 h LEU 382 Cb 1.03 -0.07 -0.41 0.00 0.37 0.00 0.00 40.66 41.57 1n52 h LEU 382 CO 0.04 1.31 -0.81 0.00 -0.34 0.00 0.00 178.44 178.64 1n52 n GLN 383 N -3.31 2.64 -0.31 1.25 1.13 -0.71 -4.93 117.38 113.13 1n52 n GLN 383 Ca -0.17 -4.41 0.24 0.00 -1.94 0.00 0.00 57.00 50.71 1n52 n GLN 383 Cb 1.03 -2.08 0.53 0.00 0.11 0.00 0.00 30.24 29.84 1n52 n GLN 383 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1n52 h PRO 384 N 2.95 0.34 0.00 -1.09 0.11 -1.67 -1.79 132.00 130.85 1n52 h PRO 384 Ca 0.13 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1n52 h PRO 384 Cb 0.68 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1n52 h PRO 384 CO 0.73 0.23 -0.13 0.41 -0.21 0.00 0.00 178.00 179.03 1n52 n GLY 385 N -1.50 -1.44 0.00 -0.55 0.00 -1.26 -4.61 105.19 95.83 1n52 n GLY 385 Ca 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1n52 n GLY 385 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n52 n SER 386 N -1.51 0.06 0.11 1.61 3.41 -0.76 -4.93 113.62 111.61 1n52 n SER 386 Ca 0.07 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.55 1n52 n SER 386 Cb 0.34 0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.22 1n52 n SER 386 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1n52 h LEU 387 N 0.00 -0.25 -0.99 1.04 7.12 -1.61 -3.28 115.31 117.35 1n52 h LEU 387 Ca 0.00 -0.25 0.29 0.00 0.13 0.00 0.00 57.88 58.06 1n52 h LEU 387 Cb 0.01 0.06 -0.14 0.00 -0.53 0.00 0.00 40.66 40.06 1n52 h LEU 387 CO 0.00 0.15 0.53 -0.65 -0.13 0.00 0.00 178.44 178.35 1n52 h PRO 388 N -0.69 0.36 -0.46 5.25 0.11 -1.82 0.36 132.00 135.11 1n52 h PRO 388 Ca -0.03 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.99 1n52 h PRO 388 Cb 0.48 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 1n52 h PRO 388 CO 0.05 0.24 0.01 1.96 -0.21 0.00 0.00 178.00 180.05 1n52 h GLN 389 N 0.37 0.81 -0.45 1.05 7.50 -1.92 0.14 115.11 122.60 1n52 h GLN 389 Ca 0.69 -0.25 -0.06 0.00 0.50 0.00 0.00 58.65 59.53 1n52 h GLN 389 Cb 1.51 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 28.94 1n52 h GLN 389 CO -0.58 0.86 0.05 0.28 -1.50 0.00 0.00 178.83 177.93 1n52 h VAL 390 N 0.66 1.25 -0.27 -0.54 2.07 -1.11 0.16 116.25 118.46 1n52 h VAL 390 Ca 0.13 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 1n52 h VAL 390 Cb 0.48 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1n52 h VAL 390 CO 0.02 0.33 -0.01 0.25 0.02 0.00 0.00 177.57 178.18 1n52 h LEU 391 N 0.62 0.39 -0.45 2.57 5.85 -0.80 0.63 115.31 124.11 1n52 h LEU 391 Ca 0.13 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 1n52 h LEU 391 Cb 0.42 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1n52 h LEU 391 CO 0.01 0.46 -0.45 0.00 -0.34 0.00 0.00 178.44 178.12 1n52 h ALA 392 N 1.59 0.81 -0.02 1.25 0.00 -0.20 -2.19 119.26 120.49 1n52 h ALA 392 Ca 0.09 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.40 1n52 h ALA 392 Cb 0.29 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1n52 h ALA 392 CO 0.01 0.57 -0.72 0.37 0.00 0.00 0.00 179.25 179.48 1n52 h GLN 393 N 0.00 0.53 -0.62 0.00 4.15 0.62 -2.89 115.11 116.89 1n52 h GLN 393 Ca -0.00 -0.54 -0.08 0.00 0.77 0.00 0.00 58.65 58.80 1n52 h GLN 393 Cb 1.16 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.97 1n52 h GLN 393 CO 0.06 1.17 0.06 0.00 -1.93 0.00 0.00 178.83 178.19 1n52 h ALA 394 N 0.37 0.94 0.18 3.38 0.00 -0.89 -1.82 119.26 121.42 1n52 h ALA 394 Ca -0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1n52 h ALA 394 Cb 1.40 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1n52 h ALA 394 CO 0.14 0.65 -0.09 1.15 0.00 0.00 0.00 179.25 181.10 1n52 h THR 395 N 0.97 0.80 -0.54 0.00 2.02 -1.45 0.64 112.91 115.35 1n52 h THR 395 Ca 0.19 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.46 1n52 h THR 395 Cb 0.47 0.80 -0.08 0.00 -1.74 0.00 0.00 68.15 67.61 1n52 h THR 395 CO 0.02 0.00 0.10 -0.08 0.37 0.00 0.00 175.52 175.92 1n52 h GLU 396 N -0.26 0.22 -0.80 6.66 4.57 -1.32 -0.83 114.58 122.82 1n52 h GLU 396 Ca -0.02 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 1n52 h GLU 396 Cb 0.20 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 1n52 h GLU 396 CO 0.03 0.15 0.33 0.52 -1.18 0.00 0.00 179.01 178.86 1n52 h MET 397 N 0.23 1.19 -0.27 1.92 2.86 -0.96 -1.65 114.93 118.25 1n52 h MET 397 Ca 0.28 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1n52 h MET 397 Cb 0.40 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1n52 h MET 397 CO -0.37 0.96 0.10 -0.07 1.06 0.00 0.00 176.91 178.59 1n52 h LEU 398 N 1.16 0.38 -0.66 1.22 3.38 -0.07 -2.40 115.31 118.32 1n52 h LEU 398 Ca 0.27 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1n52 h LEU 398 Cb 0.21 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1n52 h LEU 398 CO -0.02 0.46 0.41 0.22 0.09 0.00 0.00 178.44 179.59 1n52 h TYR 399 N 0.28 0.76 0.00 1.13 3.20 -0.91 -2.06 116.97 119.37 1n52 h TYR 399 Ca 0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1n52 h TYR 399 Cb 0.20 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.22 1n52 h TYR 399 CO -0.00 0.43 0.00 0.52 -1.64 0.00 0.00 178.16 177.46 1n52 h MET 400 N 0.79 0.00 -0.43 1.82 2.86 -1.07 -2.64 114.93 116.26 1n52 h MET 400 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1n52 h MET 400 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1n52 h MET 400 CO -0.11 0.00 0.00 0.54 1.06 0.00 0.00 176.91 178.40 1n52 n ARG 401 N -2.42 2.59 -0.27 1.72 1.74 -0.81 -4.65 116.66 114.56 1n52 n ARG 401 Ca 0.01 -2.16 0.15 0.00 -0.77 0.00 0.00 57.85 55.08 1n52 n ARG 401 Cb 0.23 -1.37 0.43 0.00 -1.02 0.00 0.00 32.46 30.73 1n52 n ARG 401 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1n52 h LEU 402 N 2.91 0.56 -1.94 0.55 5.85 -1.08 -3.11 115.31 119.05 1n52 h LEU 402 Ca 0.00 0.05 0.32 0.00 0.84 0.00 0.00 57.88 59.09 1n52 h LEU 402 Cb 0.80 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 1n52 h LEU 402 CO 0.00 0.25 0.83 0.44 -0.34 0.00 0.00 178.44 179.61 1n52 h ASP 403 N 0.57 0.00 0.00 1.25 3.32 -1.83 -1.95 116.42 117.78 1n52 h ASP 403 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1n52 h ASP 403 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1n52 h ASP 403 CO -0.22 0.00 -0.04 0.35 -1.72 0.00 0.00 179.24 177.61 1n52 n THR 404 N -4.08 1.13 -2.51 0.35 -2.24 -1.17 -4.96 114.28 100.81 1n52 n THR 404 Ca 0.23 -1.27 -0.38 0.00 -2.27 0.00 0.00 64.05 60.37 1n52 n THR 404 Cb 1.19 0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 69.67 1n52 n THR 404 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1n52 s MET 405 N -1.48 4.31 0.24 -0.78 0.00 -0.74 -2.60 119.30 118.26 1n52 s MET 405 Ca 0.11 1.62 -0.30 0.00 0.00 0.00 0.00 55.69 57.13 1n52 s MET 405 Cb 0.10 -2.76 -0.09 0.00 0.00 0.00 0.00 34.83 32.07 1n52 s MET 405 CO 0.01 -0.04 1.26 1.21 0.00 0.00 0.00 175.02 177.47 1n52 s ASN 406 N -1.32 6.95 0.27 1.11 3.84 0.17 -4.84 114.94 121.13 1n52 s ASN 406 Ca 0.53 2.43 -0.04 0.00 0.21 0.00 0.00 52.86 55.99 1n52 s ASN 406 Cb -0.26 -2.62 0.55 0.00 -0.55 0.00 0.00 41.25 38.37 1n52 s ASN 406 CO 0.33 -0.45 1.62 0.74 -2.79 0.00 0.00 177.10 176.54 1n52 h THR 407 N 3.47 0.24 -0.40 -5.21 2.02 -1.91 0.24 112.91 111.35 1n52 h THR 407 Ca -0.46 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 66.74 1n52 h THR 407 Cb 1.22 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1n52 h THR 407 CO 0.72 0.02 0.27 0.74 0.37 0.00 0.00 175.52 177.64 1n52 h THR 408 N 0.09 0.97 0.20 3.16 2.02 -1.91 -1.54 112.91 115.89 1n52 h THR 408 Ca 0.48 -0.11 -0.30 0.00 0.77 0.00 0.00 66.41 67.25 1n52 h THR 408 Cb 0.89 0.61 0.03 0.00 -1.74 0.00 0.00 68.15 67.95 1n52 h THR 408 CO -0.75 0.06 -1.29 0.00 0.37 0.00 0.00 175.52 173.91 1n52 h VAL 410 N 0.08 0.64 -0.75 0.00 2.07 -0.54 0.32 116.25 118.07 1n52 h VAL 410 Ca -0.22 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.46 1n52 h VAL 410 Cb 2.00 0.64 -0.10 0.00 -1.52 0.00 0.00 31.29 32.30 1n52 h VAL 410 CO 0.24 0.00 0.24 0.44 0.02 0.00 0.00 177.57 178.51 1n52 h ASP 411 N -0.02 0.14 -0.46 0.57 5.19 -1.39 0.32 116.42 120.77 1n52 h ASP 411 Ca 0.16 0.13 -0.04 0.00 -0.62 0.00 0.00 57.03 56.67 1n52 h ASP 411 Cb 0.27 0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.90 1n52 h ASP 411 CO -0.35 0.02 0.17 0.03 -3.12 0.00 0.00 179.24 175.99 1n52 h ARG 412 N 0.34 0.76 -0.14 3.56 -0.00 -0.80 -1.72 114.38 116.39 1n52 h ARG 412 Ca 0.42 -0.13 -0.03 0.00 -0.50 0.00 0.00 59.98 59.74 1n52 h ARG 412 Cb 0.69 -0.13 -0.00 0.00 0.00 0.00 0.00 29.97 30.53 1n52 h ARG 412 CO -0.46 0.65 -0.05 0.35 0.00 0.00 0.00 179.97 180.46 1n52 h PHE 413 N 0.75 0.31 0.44 3.04 3.57 0.30 -1.65 116.94 123.69 1n52 h PHE 413 Ca 0.17 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1n52 h PHE 413 Cb 0.20 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1n52 h PHE 413 CO 0.01 0.58 -0.34 0.82 -2.23 0.00 0.00 178.31 177.16 1n52 h ILE 414 N -0.04 0.31 -0.99 1.41 2.04 -0.44 0.35 117.51 120.15 1n52 h ILE 414 Ca 0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.93 1n52 h ILE 414 Cb 0.49 0.31 -0.06 0.00 -0.74 0.00 0.00 36.82 36.82 1n52 h ILE 414 CO 0.02 0.00 0.65 0.78 0.00 0.00 0.00 178.15 179.59 1n52 h ASN 415 N -0.76 1.08 0.42 1.72 -0.26 -1.37 0.23 115.58 116.64 1n52 h ASN 415 Ca -0.04 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.67 1n52 h ASN 415 Cb 0.66 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 1n52 h ASN 415 CO -0.00 0.74 -0.20 -0.25 -1.06 0.00 0.00 177.43 176.66 1n52 h TRP 416 N 1.25 -0.53 -0.75 1.19 7.01 -1.04 -1.75 115.95 121.34 1n52 h TRP 416 Ca 0.39 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.37 1n52 h TRP 416 Cb -0.01 0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 27.19 1n52 h TRP 416 CO -0.00 -0.22 0.44 0.35 -2.79 0.00 0.00 178.44 176.21 1n52 h PHE 417 N -0.80 1.00 -0.39 2.65 3.57 -0.70 0.14 116.94 122.41 1n52 h PHE 417 Ca -0.06 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.29 1n52 h PHE 417 Cb 0.54 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1n52 h PHE 417 CO 0.00 0.68 -0.31 0.66 -2.23 0.00 0.00 178.31 177.11 1n52 h SER 418 N 1.03 0.90 -0.04 0.41 4.64 -1.01 0.43 113.55 119.91 1n52 h SER 418 Ca 0.27 -0.38 -0.13 0.00 -0.47 0.00 0.00 61.79 61.08 1n52 h SER 418 Cb -0.01 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 1n52 h SER 418 CO -0.05 1.14 -0.40 -0.74 -0.87 0.00 0.00 176.83 175.91 1n52 h HIS 419 N 0.73 0.66 -0.15 4.77 -0.00 -1.05 -2.60 115.15 117.50 1n52 h HIS 419 Ca 0.08 -0.19 -0.02 0.00 -0.00 0.00 0.00 60.37 60.24 1n52 h HIS 419 Cb 0.87 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 28.13 1n52 h HIS 419 CO 0.05 0.87 0.04 1.25 -0.00 0.00 0.00 177.93 180.14 1n52 h HIS 420 N 0.46 0.26 -0.77 5.26 6.17 -0.43 -2.97 115.15 123.12 1n52 h HIS 420 Ca 0.04 -0.03 0.10 0.00 0.71 0.00 0.00 60.37 61.19 1n52 h HIS 420 Cb 0.89 -0.07 -0.08 0.00 2.52 0.00 0.00 27.41 30.67 1n52 h HIS 420 CO 0.04 0.39 0.40 -0.07 0.71 0.00 0.00 177.93 179.40 1n52 h LEU 421 N 0.05 0.53 0.00 0.26 3.38 -0.82 -1.47 115.31 117.25 1n52 h LEU 421 Ca 0.05 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1n52 h LEU 421 Cb 0.26 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1n52 h LEU 421 CO 0.00 0.29 0.00 -1.54 0.09 0.00 0.00 178.44 177.28 1n52 n SER 422 N -4.83 0.00 -0.33 -0.43 3.41 -0.99 -0.49 113.62 109.96 1n52 n SER 422 Ca 0.13 0.45 0.10 0.00 -0.26 0.00 0.00 58.87 59.29 1n52 n SER 422 Cb 0.31 -0.46 -0.04 0.00 -0.26 0.00 0.00 64.21 63.75 1n52 n SER 422 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1n52 n ASN 423 N -1.46 1.66 -2.50 4.04 3.02 -0.56 -4.34 115.26 115.12 1n52 n ASN 423 Ca 0.01 -1.33 -0.15 0.00 -0.03 0.00 0.00 54.58 53.08 1n52 n ASN 423 Cb 0.05 0.65 0.02 0.00 -0.61 0.00 0.00 39.78 39.89 1n52 n ASN 423 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1n52 n PHE 424 N -0.50 2.14 -2.66 3.10 3.72 0.21 -4.97 117.46 118.50 1n52 n PHE 424 Ca 0.07 -2.57 -0.12 0.00 -0.05 0.00 0.00 57.45 54.78 1n52 n PHE 424 Cb 0.41 -0.26 -0.01 0.00 -0.94 0.00 0.00 39.48 38.69 1n52 n PHE 424 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1n52 n GLN 425 N -0.46 -2.60 -3.57 -1.08 3.00 -1.14 -1.87 117.38 109.66 1n52 n GLN 425 Ca 0.25 0.43 -0.26 0.00 -0.01 0.00 0.00 57.00 57.40 1n52 n GLN 425 Cb 0.81 -5.03 0.03 0.00 0.00 0.00 0.00 30.24 26.05 1n52 n GLN 425 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1n52 n PHE 426 N -3.30 -2.17 -3.31 1.08 3.72 0.36 -4.93 117.46 108.91 1n52 n PHE 426 Ca -0.08 0.73 -0.41 0.00 -0.05 0.00 0.00 57.45 57.64 1n52 n PHE 426 Cb 0.57 -3.93 -0.08 0.00 -0.94 0.00 0.00 39.48 35.09 1n52 n PHE 426 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1n52 s ARG 427 N -6.26 3.66 -0.01 -1.08 1.81 -0.78 -4.97 118.95 111.32 1n52 s ARG 427 Ca 0.52 -0.20 -0.19 0.00 -1.72 0.00 0.00 55.73 54.14 1n52 s ARG 427 Cb -0.26 -3.78 0.04 0.00 -0.45 0.00 0.00 34.95 30.50 1n52 s ARG 427 CO 0.64 -0.55 0.41 -0.46 -0.68 0.00 0.00 175.30 174.67 1n52 s TRP 428 N 2.23 -0.31 -1.24 -0.53 -0.00 -1.26 -5.04 118.94 112.80 1n52 s TRP 428 Ca 0.16 0.45 -0.15 0.00 -0.00 0.00 0.00 56.10 56.57 1n52 s TRP 428 Cb -0.16 0.19 0.15 0.00 -0.00 0.00 0.00 33.47 33.65 1n52 s TRP 428 CO 0.12 -0.48 1.53 -1.13 -0.00 0.00 0.00 176.95 176.99 1n52 n SER 429 N 1.03 5.14 0.16 5.86 3.41 -1.26 -4.85 113.62 123.12 1n52 n SER 429 Ca -0.20 -2.97 0.12 0.00 -0.26 0.00 0.00 58.87 55.56 1n52 n SER 429 Cb 0.57 -1.61 0.65 0.00 -0.26 0.00 0.00 64.21 63.55 1n52 n SER 429 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1n52 h TRP 430 N 7.18 0.03 0.00 7.33 4.06 -1.98 -2.17 115.95 130.41 1n52 h TRP 430 Ca 0.35 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.29 1n52 h TRP 430 Cb 0.86 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 29.01 1n52 h TRP 430 CO 1.19 0.02 -0.07 1.05 -3.56 0.00 0.00 178.44 177.06 1n52 h GLU 431 N 0.03 0.00 -0.22 0.49 9.09 -2.00 -1.22 114.58 120.75 1n52 h GLU 431 Ca 0.09 0.00 0.06 0.00 0.05 0.00 0.00 59.36 59.56 1n52 h GLU 431 Cb 0.33 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.42 1n52 h GLU 431 CO -0.00 0.07 0.21 -0.44 0.05 0.00 0.00 179.01 178.90 1n52 h ASP 432 N 0.00 0.00 -0.73 3.06 3.32 -1.81 -0.12 116.42 120.14 1n52 h ASP 432 Ca -0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 1n52 h ASP 432 Cb 0.29 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.62 1n52 h ASP 432 CO 0.01 0.00 0.35 0.79 -1.72 0.00 0.00 179.24 178.67 1n52 n TRP 433 N -3.96 2.28 0.16 4.55 8.01 -0.46 -4.66 117.44 123.36 1n52 n TRP 433 Ca 0.03 -1.66 0.13 0.00 -1.31 0.00 0.00 57.50 54.68 1n52 n TRP 433 Cb 0.35 -0.75 0.66 0.00 -2.01 0.00 0.00 31.31 29.56 1n52 n TRP 433 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 1n52 h SER 434 N 1.22 0.00 -0.72 -0.99 0.02 -1.11 -2.68 113.55 109.29 1n52 h SER 434 Ca 0.44 -0.00 0.20 0.00 -0.84 0.00 0.00 61.79 61.59 1n52 h SER 434 Cb 2.37 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.87 1n52 h SER 434 CO 0.80 0.00 0.51 -2.24 -1.14 0.00 0.00 176.83 174.76 1n52 h ASP 435 N 0.00 0.06 0.17 3.07 2.03 -1.84 0.32 116.42 120.23 1n52 h ASP 435 Ca 0.10 0.01 -0.07 0.00 -0.73 0.00 0.00 57.03 56.34 1n52 h ASP 435 Cb 0.38 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 38.87 1n52 h ASP 435 CO -0.00 0.03 -0.25 0.00 -1.03 0.00 0.00 179.24 177.99 1n52 h LEU 437 N 0.14 0.12 -3.50 0.00 3.38 -1.12 -1.87 115.31 112.45 1n52 h LEU 437 Ca 0.02 0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.74 1n52 h LEU 437 Cb 0.52 -0.01 -0.16 0.00 0.09 0.00 0.00 40.66 41.10 1n52 h LEU 437 CO 0.04 0.05 0.07 -1.54 0.09 0.00 0.00 178.44 177.15 1n52 n SER 438 N -4.37 2.79 -4.72 -0.43 3.41 -1.17 -4.99 113.62 104.15 1n52 n SER 438 Ca 0.16 -3.76 -0.23 0.00 -0.26 0.00 0.00 58.87 54.78 1n52 n SER 438 Cb 0.77 -0.68 -0.06 0.00 -0.26 0.00 0.00 64.21 63.97 1n52 n SER 438 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1n52 s GLN 439 N -3.28 2.35 0.25 4.33 -0.21 -0.71 -5.06 119.66 117.34 1n52 s GLN 439 Ca 0.48 -1.55 -0.31 0.00 0.02 0.00 0.00 55.36 54.00 1n52 s GLN 439 Cb 0.43 -2.16 -0.13 0.00 1.00 0.00 0.00 33.01 32.14 1n52 s GLN 439 CO 0.02 0.13 1.40 -3.47 -2.12 0.00 0.00 175.29 171.25 1n52 n ASP 440 N -1.12 2.76 0.22 5.90 4.64 -1.26 -4.78 116.55 122.91 1n52 n ASP 440 Ca -0.03 1.15 0.18 0.00 -1.38 0.00 0.00 54.79 54.70 1n52 n ASP 440 Cb 0.61 -1.43 0.82 0.00 -1.04 0.00 0.00 41.12 40.08 1n52 n ASP 440 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1n52 h PRO 441 N 4.06 0.00 0.00 -0.67 0.11 -1.96 -0.36 132.00 133.18 1n52 h PRO 441 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1n52 h PRO 441 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1n52 h PRO 441 CO 0.74 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.46 1n52 h GLU 442 N 0.00 0.00 -6.93 1.05 5.08 -1.98 -3.29 114.58 108.51 1n52 h GLU 442 Ca 0.09 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.88 1n52 h GLU 442 Cb 0.74 0.00 0.16 0.00 0.50 0.00 0.00 28.75 30.15 1n52 h GLU 442 CO -0.00 0.00 0.28 0.43 -1.00 0.00 0.00 179.01 178.72 1n52 n SER 443 N -2.97 1.32 -0.30 1.42 7.64 -0.15 -4.77 113.62 115.81 1n52 n SER 443 Ca 0.04 0.83 0.08 0.00 1.01 0.00 0.00 58.87 60.83 1n52 n SER 443 Cb 0.49 -1.45 0.24 0.00 -1.01 0.00 0.00 64.21 62.48 1n52 n SER 443 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1n52 h PRO 444 N 0.57 0.58 0.67 1.43 0.11 -1.89 -2.19 132.00 131.27 1n52 h PRO 444 Ca -0.49 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 1n52 h PRO 444 Cb 1.35 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 32.34 1n52 h PRO 444 CO 0.52 0.38 -0.32 0.87 -0.21 0.00 0.00 178.00 179.24 1n52 h LYS 445 N 0.60 -0.86 -0.93 1.05 1.57 -1.90 0.95 116.57 117.05 1n52 h LYS 445 Ca 0.48 0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.32 1n52 h LYS 445 Cb 0.73 0.20 -0.04 0.00 0.08 0.00 0.00 32.23 33.19 1n52 h LYS 445 CO -0.39 -0.54 0.56 -1.00 -0.57 0.00 0.00 179.45 177.51 1n52 h PRO 446 N -1.09 1.26 -0.60 3.15 0.13 -1.79 -1.67 132.00 131.38 1n52 h PRO 446 Ca -0.09 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1n52 h PRO 446 Cb 0.72 -0.26 -0.03 0.00 0.13 0.00 0.00 31.00 31.56 1n52 h PRO 446 CO 0.15 0.88 0.39 -0.22 -0.23 0.00 0.00 178.00 178.97 1n52 h LYS 447 N 1.28 0.80 -0.72 0.86 3.64 -1.39 0.16 116.57 121.20 1n52 h LYS 447 Ca 0.33 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.71 1n52 h LYS 447 Cb -0.05 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.54 1n52 h LYS 447 CO -0.06 0.55 0.43 0.35 -2.27 0.00 0.00 179.45 178.44 1n52 h PHE 448 N 0.81 0.79 -0.29 1.91 3.57 -0.21 -0.00 116.94 123.52 1n52 h PHE 448 Ca 0.22 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 1n52 h PHE 448 Cb -0.07 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 1n52 h PHE 448 CO -0.03 0.40 0.02 0.28 -2.23 0.00 0.00 178.31 176.76 1n52 h VAL 449 N 0.80 1.25 -0.39 1.41 2.07 -0.51 -0.26 116.25 120.61 1n52 h VAL 449 Ca 0.31 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 67.00 1n52 h VAL 449 Cb 0.13 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1n52 h VAL 449 CO -0.16 0.28 0.16 -0.09 0.02 0.00 0.00 177.57 177.78 1n52 h ARG 450 N 0.30 0.32 -0.41 1.57 2.43 -0.53 -0.38 114.38 117.68 1n52 h ARG 450 Ca 0.09 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 1n52 h ARG 450 Cb 0.39 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1n52 h ARG 450 CO 0.01 0.21 0.04 0.93 -1.51 0.00 0.00 179.97 179.66 1n52 h GLU 451 N 0.33 0.70 -0.32 0.20 4.39 -0.87 -1.07 114.58 117.95 1n52 h GLU 451 Ca 0.18 -0.20 0.04 0.00 0.34 0.00 0.00 59.36 59.71 1n52 h GLU 451 Cb 0.13 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 1n52 h GLU 451 CO -0.16 0.76 0.11 0.28 -1.16 0.00 0.00 179.01 178.84 1n52 h VAL 452 N 0.55 0.91 -0.88 3.13 2.07 -0.65 -0.32 116.25 121.06 1n52 h VAL 452 Ca 0.12 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1n52 h VAL 452 Cb 0.41 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1n52 h VAL 452 CO 0.01 0.05 0.54 -0.07 0.02 0.00 0.00 177.57 178.12 1n52 h LEU 453 N 0.25 1.05 -0.52 2.57 3.38 -0.88 0.24 115.31 121.39 1n52 h LEU 453 Ca 0.14 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1n52 h LEU 453 Cb 0.11 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1n52 h LEU 453 CO -0.15 0.80 0.33 -0.08 0.09 0.00 0.00 178.44 179.43 1n52 h GLU 454 N 1.21 0.70 -0.65 1.13 4.81 -0.53 -1.14 114.58 120.11 1n52 h GLU 454 Ca 0.32 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.43 1n52 h GLU 454 Cb -0.06 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.14 1n52 h GLU 454 CO -0.06 0.50 0.17 0.87 -0.73 0.00 0.00 179.01 179.75 1n52 h LYS 455 N 0.71 1.02 -0.54 1.92 6.56 -0.16 -2.41 116.57 123.67 1n52 h LYS 455 Ca 0.19 -0.23 -0.05 0.00 -1.06 0.00 0.00 60.65 59.50 1n52 h LYS 455 Cb -0.04 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 31.46 1n52 h LYS 455 CO -0.04 0.90 0.12 0.00 -2.06 0.00 0.00 179.45 178.38 1n52 h MET 457 N 0.80 1.01 0.00 0.00 1.85 -0.75 -1.97 114.93 115.87 1n52 h MET 457 Ca 0.17 -0.12 -0.01 0.00 -0.61 0.00 0.00 59.70 59.14 1n52 h MET 457 Cb 0.30 -0.20 -0.00 0.00 0.43 0.00 0.00 31.60 32.13 1n52 h MET 457 CO -0.00 0.75 -0.04 0.00 -0.40 0.00 0.00 176.91 177.22 1n52 h ARG 458 N 1.00 0.00 -0.01 0.39 3.08 -1.16 -1.38 114.38 116.30 1n52 h ARG 458 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1n52 h ARG 458 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1n52 h ARG 458 CO -0.04 0.04 -0.15 1.28 -1.07 0.00 0.00 179.97 180.03 1n52 n LEU 459 N -3.20 1.47 0.00 3.04 4.77 -0.77 -4.89 117.00 117.42 1n52 n LEU 459 Ca -0.00 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 1n52 n LEU 459 Cb 0.27 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1n52 n LEU 459 CO 0.27 0.26 0.00 -1.54 -1.33 0.00 0.00 177.39 175.05 1n52 n SER 460 N -0.09 0.00 -3.51 -1.43 3.41 -0.59 -5.10 113.62 106.30 1n52 n SER 460 Ca 0.15 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.65 1n52 n SER 460 Cb 0.38 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 1n52 n SER 460 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1n52 s TYR 461 N 1.55 -0.43 0.00 7.33 1.13 -0.75 -4.97 117.35 121.20 1n52 s TYR 461 Ca 0.00 0.48 0.00 0.00 -1.41 0.00 0.00 57.07 56.14 1n52 s TYR 461 Cb 0.00 0.50 0.00 0.00 -1.10 0.00 0.00 41.96 41.36 1n52 s TYR 461 CO 0.00 -0.56 0.91 1.58 -2.51 0.00 0.00 175.55 174.97 1n52 n HIS 462 N 0.15 0.00 -0.33 -3.49 -0.00 -1.26 -1.84 115.22 108.44 1n52 n HIS 462 Ca -0.12 0.00 0.17 0.00 -0.00 0.00 0.00 57.72 57.77 1n52 n HIS 462 Cb 0.61 -0.45 0.38 0.00 -0.00 0.00 0.00 29.99 30.52 1n52 n HIS 462 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.34 176.71 1n52 h GLN 463 N 0.00 0.47 -0.83 1.57 5.75 -1.98 -1.49 115.11 118.61 1n52 h GLN 463 Ca 0.00 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.54 1n52 h GLN 463 Cb 0.00 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 28.38 1n52 h GLN 463 CO 0.00 0.31 0.50 -0.09 -2.65 0.00 0.00 178.83 176.90 1n52 h ARG 464 N 0.49 0.86 -0.16 1.69 1.12 -1.79 -2.12 114.38 114.46 1n52 h ARG 464 Ca 0.63 -0.05 -0.17 0.00 -1.11 0.00 0.00 59.98 59.28 1n52 h ARG 464 Cb 1.25 -0.19 -0.00 0.00 -0.01 0.00 0.00 29.97 31.01 1n52 h ARG 464 CO -0.51 0.57 -0.62 0.82 -3.11 0.00 0.00 179.97 177.11 1n52 h ILE 465 N 0.88 1.33 -0.16 1.20 1.08 -1.21 -2.58 117.51 118.04 1n52 h ILE 465 Ca 0.38 -1.90 -0.01 0.00 -0.39 0.00 0.00 64.86 62.93 1n52 h ILE 465 Cb 0.24 1.87 -0.01 0.00 -3.07 0.00 0.00 36.82 35.86 1n52 h ILE 465 CO -0.20 0.59 0.05 -0.07 -0.69 0.00 0.00 178.15 177.83 1n52 h LEU 466 N 0.41 0.20 -0.37 1.44 3.38 -1.20 -2.27 115.31 116.89 1n52 h LEU 466 Ca -0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1n52 h LEU 466 Cb 1.18 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1n52 h LEU 466 CO 0.12 0.19 -0.11 0.44 0.09 0.00 0.00 178.44 179.17 1n52 h ASP 467 N 0.22 0.00 0.63 -0.43 3.32 -1.01 -3.35 116.42 115.80 1n52 h ASP 467 Ca 0.06 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.84 1n52 h ASP 467 Cb 0.07 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 1n52 h ASP 467 CO -0.01 0.11 -1.52 0.16 -1.72 0.00 0.00 179.24 176.26 1n52 h ILE 468 N 0.00 1.05 -3.06 0.35 3.07 -1.14 -3.47 117.51 114.31 1n52 h ILE 468 Ca -0.00 -2.86 -0.51 0.00 1.55 0.00 0.00 64.86 63.04 1n52 h ILE 468 Cb 0.95 2.51 -0.00 0.00 -0.27 0.00 0.00 36.82 40.01 1n52 h ILE 468 CO 0.01 0.60 -0.17 0.68 -1.05 0.00 0.00 178.15 178.22 1n52 s VAL 469 N -2.64 5.07 0.77 0.16 -7.23 -1.20 -4.94 120.40 110.39 1n52 s VAL 469 Ca -0.03 -0.13 -0.12 0.00 -1.81 0.00 0.00 61.98 59.89 1n52 s VAL 469 Cb 0.08 -3.77 0.06 0.00 0.56 0.00 0.00 36.38 33.32 1n52 s VAL 469 CO 0.82 -0.37 1.12 -2.84 -0.31 0.00 0.00 175.10 173.52 1n52 s PRO 470 N -3.74 2.12 0.35 4.82 0.02 -1.26 -4.87 135.00 132.43 1n52 s PRO 470 Ca 0.42 1.35 0.12 0.00 0.02 0.00 0.00 61.00 62.91 1n52 s PRO 470 Cb -0.10 -1.87 0.92 0.00 0.02 0.00 0.00 34.50 33.47 1n52 s PRO 470 CO 0.32 -1.77 1.77 -1.35 -0.33 0.00 0.00 177.00 175.64 1n52 h PRO 471 N -0.95 0.55 0.00 5.54 0.11 -1.98 0.07 132.00 135.35 1n52 h PRO 471 Ca -0.44 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1n52 h PRO 471 Cb 1.25 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1n52 h PRO 471 CO 0.50 0.37 -0.04 1.79 -0.21 0.00 0.00 178.00 180.40 1n52 h THR 472 N 0.57 0.58 0.00 -1.15 1.35 -2.02 -2.53 112.91 109.71 1n52 h THR 472 Ca 0.59 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 66.28 1n52 h THR 472 Cb 1.19 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1n52 h THR 472 CO -0.36 0.04 -0.84 0.49 -0.25 0.00 0.00 175.52 174.60 1n52 n PHE 473 N -3.83 0.61 -0.26 4.73 3.01 0.00 -4.41 117.46 117.32 1n52 n PHE 473 Ca -0.03 0.18 0.19 0.00 1.01 0.00 0.00 57.45 58.80 1n52 n PHE 473 Cb 0.13 -0.69 0.35 0.00 -0.01 0.00 0.00 39.48 39.26 1n52 n PHE 473 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1n52 n SER 474 N -2.24 0.10 0.06 4.37 2.88 -0.95 0.14 113.62 117.97 1n52 n SER 474 Ca 0.02 1.29 0.20 0.00 -1.33 0.00 0.00 58.87 59.05 1n52 n SER 474 Cb 0.47 -0.56 0.73 0.00 -0.75 0.00 0.00 64.21 64.10 1n52 n SER 474 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n52 h ALA 475 N 1.54 2.29 -0.00 -1.46 0.00 -1.81 -0.40 119.26 119.42 1n52 h ALA 475 Ca 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1n52 h ALA 475 Cb 1.38 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1n52 h ALA 475 CO -0.65 -0.60 -0.42 1.28 0.00 0.00 0.00 179.25 178.85 1n52 n LEU 476 N -4.11 0.88 -4.71 0.00 4.77 0.37 -4.93 117.00 109.26 1n52 n LEU 476 Ca 0.08 -0.21 -0.33 0.00 -0.03 0.00 0.00 56.01 55.53 1n52 n LEU 476 Cb 0.56 -0.16 0.12 0.00 -2.33 0.00 0.00 43.42 41.62 1n52 n LEU 476 CO 0.33 0.18 0.74 0.00 -1.33 0.00 0.00 177.39 177.31 1n52 s PRO 478 N -4.32 4.41 0.62 0.00 0.04 -1.26 -5.04 135.00 129.45 1n52 s PRO 478 Ca 0.70 1.27 -0.18 0.00 0.04 0.00 0.00 61.00 62.82 1n52 s PRO 478 Cb -0.25 -2.54 -0.02 0.00 0.04 0.00 0.00 34.50 31.73 1n52 s PRO 478 CO 0.52 0.12 1.21 0.00 0.04 0.00 0.00 177.00 178.89 1n52 s ALA 479 N -1.84 2.47 0.10 8.56 0.00 -1.26 -4.91 121.76 124.89 1n52 s ALA 479 Ca 0.55 0.98 -0.31 0.00 0.00 0.00 0.00 51.96 53.19 1n52 s ALA 479 Cb -0.15 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.42 1n52 s ALA 479 CO 0.20 -1.29 1.67 1.21 0.00 0.00 0.00 175.76 177.55 1n52 s ASN 480 N -1.69 6.56 -0.85 0.00 2.47 -1.26 -4.86 114.94 115.31 1n52 s ASN 480 Ca 0.77 2.57 -0.06 0.00 0.42 0.00 0.00 52.86 56.56 1n52 s ASN 480 Cb -0.30 -2.57 -0.07 0.00 -1.45 0.00 0.00 41.25 36.86 1n52 s ASN 480 CO 0.35 -0.90 2.22 -0.81 -3.72 0.00 0.00 177.10 174.24 1n52 n PRO 481 N 5.28 2.10 -3.39 0.43 -0.04 -1.25 -4.87 135.00 133.26 1n52 n PRO 481 Ca 0.16 -1.40 -0.37 0.00 -0.04 0.00 0.00 63.50 61.85 1n52 n PRO 481 Cb 0.40 -2.39 -0.06 0.00 -0.04 0.00 0.00 33.50 31.41 1n52 n PRO 481 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1n52 s THR 482 N 3.08 4.88 0.72 0.52 -4.23 -1.26 -4.74 115.64 114.62 1n52 s THR 482 Ca 0.42 0.90 -0.15 0.00 -1.18 0.00 0.00 61.69 61.68 1n52 s THR 482 Cb 0.12 -3.77 0.03 0.00 1.34 0.00 0.00 72.50 70.23 1n52 s THR 482 CO -0.03 0.41 1.20 0.00 -0.54 0.00 0.00 174.62 175.66 1n52 s ILE 484 N -2.01 1.39 0.22 0.00 1.01 -0.68 -5.06 121.20 116.06 1n52 s ILE 484 Ca 0.74 -2.52 -0.30 0.00 0.00 0.00 0.00 60.65 58.57 1n52 s ILE 484 Cb -0.28 -1.97 -0.08 0.00 0.01 0.00 0.00 42.46 40.13 1n52 s ILE 484 CO 0.45 -0.89 0.99 -0.47 0.00 0.00 0.00 174.94 175.01 1n52 s TYR 485 N 0.39 3.85 0.00 3.97 6.04 -1.26 -4.40 117.35 125.94 1n52 s TYR 485 Ca 0.17 1.83 0.00 0.00 0.04 0.00 0.00 57.07 59.12 1n52 s TYR 485 Cb -0.24 -3.07 0.00 0.00 -1.04 0.00 0.00 41.96 37.60 1n52 s TYR 485 CO 0.00 0.14 0.09 1.17 -1.54 0.00 0.00 175.55 175.41 1n52 n LYS 486 N 1.73 0.00 0.00 4.97 4.81 -1.26 -4.00 118.16 124.41 1n52 n LYS 486 Ca -0.01 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 1n52 n LYS 486 Cb 0.47 -1.02 0.00 0.00 0.02 0.00 0.00 35.03 34.50 1n52 n LYS 486 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1n52 n TYR 487 N -1.92 0.00 0.00 5.64 4.02 -1.26 -4.52 117.16 119.11 1n52 n TYR 487 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1n52 n TYR 487 Cb 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.25 1n52 n TYR 487 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1n52 n GLY 488 N 0.12 -0.87 2.37 2.72 0.00 -1.26 -4.53 105.19 103.73 1n52 n GLY 488 Ca 0.00 -1.21 -0.05 0.00 0.00 0.00 0.00 46.02 44.76 1n52 n GLY 488 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n52 n ASP 489 N 0.00 1.85 0.11 1.61 8.00 -1.26 -3.75 116.55 123.11 1n52 n ASP 489 Ca 0.00 -1.86 -0.05 0.00 0.71 0.00 0.00 54.79 53.59 1n52 n ASP 489 Cb 0.00 -0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 40.57 1n52 n ASP 489 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1n52 h GLU 490 N 5.14 -0.34 0.00 -1.24 4.81 -1.79 -3.46 114.58 117.70 1n52 h GLU 490 Ca 0.08 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1n52 h GLU 490 Cb 0.48 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1n52 h GLU 490 CO 0.47 -0.23 0.00 0.43 -0.73 0.00 0.00 179.01 178.96 1n52 n SER 491 N -4.89 0.00 -4.37 1.04 7.64 -1.25 -4.87 113.62 106.93 1n52 n SER 491 Ca -0.04 0.00 -0.46 0.00 1.01 0.00 0.00 58.87 59.38 1n52 n SER 491 Cb 0.14 -0.88 -0.02 0.00 -1.01 0.00 0.00 64.21 62.45 1n52 n SER 491 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1n52 s SER 492 N -2.81 6.88 0.00 6.43 0.01 -1.26 -4.87 113.70 118.07 1n52 s SER 492 Ca 0.00 -2.77 0.18 0.00 1.31 0.00 0.00 55.95 54.67 1n52 s SER 492 Cb 0.00 -2.26 0.51 0.00 0.21 0.00 0.00 66.02 64.48 1n52 s SER 492 CO 0.00 -0.63 1.42 -0.46 0.41 0.00 0.00 173.24 173.99 1n52 n ASN 493 N 4.36 2.89 0.00 2.44 0.23 -1.26 -4.28 115.26 119.64 1n52 n ASN 493 Ca 0.20 -1.97 0.09 0.00 -0.53 0.00 0.00 54.58 52.37 1n52 n ASN 493 Cb 0.46 -0.33 0.54 0.00 -2.08 0.00 0.00 39.78 38.36 1n52 n ASN 493 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1n52 n SER 494 N 1.09 0.00 -4.75 0.53 3.41 -1.26 -4.79 113.62 107.85 1n52 n SER 494 Ca 0.18 -0.85 -0.40 0.00 -0.26 0.00 0.00 58.87 57.54 1n52 n SER 494 Cb 0.47 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 1n52 n SER 494 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1n52 s LEU 495 N -1.80 4.61 0.62 1.04 1.43 -1.26 -5.03 118.68 118.28 1n52 s LEU 495 Ca 0.27 1.85 -0.19 0.00 -1.03 0.00 0.00 54.13 55.03 1n52 s LEU 495 Cb 0.12 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.79 1n52 s LEU 495 CO 0.21 0.12 1.31 -2.65 0.23 0.00 0.00 176.35 175.57 1n52 n PRO 496 N 1.79 1.28 -0.78 1.29 -0.02 -1.26 -2.49 135.00 134.81 1n52 n PRO 496 Ca -0.02 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1n52 n PRO 496 Cb 0.48 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1n52 n PRO 496 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n52 n GLY 497 N 0.88 0.07 0.30 -1.23 0.00 -1.26 -4.88 105.19 99.07 1n52 n GLY 497 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 1n52 n GLY 497 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1n52 h HIS 498 N 0.00 -1.09 -0.72 1.61 2.76 -1.82 -0.06 115.15 115.83 1n52 h HIS 498 Ca 0.00 0.05 0.04 0.00 -2.20 0.00 0.00 60.37 58.27 1n52 h HIS 498 Cb 0.47 0.51 -0.05 0.00 1.55 0.00 0.00 27.41 29.89 1n52 h HIS 498 CO 0.30 -0.32 0.43 0.77 -1.30 0.00 0.00 177.93 177.80 1n52 h SER 499 N -0.28 0.69 -0.80 3.26 0.02 -1.89 -1.55 113.55 112.99 1n52 h SER 499 Ca 0.04 0.01 0.16 0.00 -0.84 0.00 0.00 61.79 61.16 1n52 h SER 499 Cb 0.40 -0.13 -0.10 0.00 0.14 0.00 0.00 62.40 62.70 1n52 h SER 499 CO -0.36 0.46 0.33 0.58 -1.14 0.00 0.00 176.83 176.69 1n52 h VAL 500 N 0.82 0.61 -0.63 2.27 2.07 -1.74 0.21 116.25 119.87 1n52 h VAL 500 Ca 0.30 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 1n52 h VAL 500 Cb 0.10 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 1n52 h VAL 500 CO -0.14 0.08 0.33 0.00 0.02 0.00 0.00 177.57 177.86 1n52 h ALA 501 N 1.59 0.81 -0.41 1.67 0.00 -0.06 -2.04 119.26 120.82 1n52 h ALA 501 Ca 0.45 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1n52 h ALA 501 Cb 0.73 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1n52 h ALA 501 CO -0.44 0.34 0.25 -0.07 0.00 0.00 0.00 179.25 179.33 1n52 h LEU 502 N 0.86 0.47 -0.22 0.00 3.38 -0.01 0.21 115.31 120.00 1n52 h LEU 502 Ca 0.22 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 1n52 h LEU 502 Cb 0.07 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1n52 h LEU 502 CO -0.03 0.36 -0.30 0.00 0.09 0.00 0.00 178.44 178.55 1n52 h LEU 504 N 0.29 -0.39 -0.69 0.00 3.38 -0.62 0.23 115.31 117.50 1n52 h LEU 504 Ca 0.02 0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.20 1n52 h LEU 504 Cb 0.88 0.18 -0.10 0.00 0.09 0.00 0.00 40.66 41.71 1n52 h LEU 504 CO 0.07 -0.18 0.19 0.00 0.09 0.00 0.00 178.44 178.61 1n52 h ALA 505 N 0.83 0.89 -0.16 1.53 0.00 -1.01 0.20 119.26 121.54 1n52 h ALA 505 Ca 0.07 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1n52 h ALA 505 Cb 0.28 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1n52 h ALA 505 CO -0.17 -0.30 0.09 0.28 0.00 0.00 0.00 179.25 179.15 1n52 h VAL 506 N 0.30 1.08 0.36 0.00 2.07 -0.98 -2.20 116.25 116.88 1n52 h VAL 506 Ca 0.38 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.66 1n52 h VAL 506 Cb 0.61 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1n52 h VAL 506 CO -0.45 0.08 -0.17 0.00 0.02 0.00 0.00 177.57 177.05 1n52 h ALA 507 N 1.00 -0.48 -0.36 1.67 0.00 0.66 -2.66 119.26 119.10 1n52 h ALA 507 Ca 0.06 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1n52 h ALA 507 Cb 0.05 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 1n52 h ALA 507 CO -0.01 -0.75 -0.23 0.74 0.00 0.00 0.00 179.25 179.00 1n52 h PHE 508 N -0.52 -0.60 0.00 0.00 0.05 -0.63 0.42 116.94 115.65 1n52 h PHE 508 Ca -0.05 0.05 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1n52 h PHE 508 Cb 0.39 0.32 0.00 0.00 2.00 0.00 0.00 35.95 38.66 1n52 h PHE 508 CO -0.04 -0.31 0.00 1.63 -0.18 0.00 0.00 178.31 179.41 1n52 n LYS 509 N -5.38 0.05 -0.24 1.51 5.02 -0.83 -1.64 118.16 116.64 1n52 n LYS 509 Ca 0.01 0.48 0.10 0.00 -2.02 0.00 0.00 58.31 56.88 1n52 n LYS 509 Cb 0.30 -1.63 0.22 0.00 -0.02 0.00 0.00 35.03 33.90 1n52 n LYS 509 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1n52 n SER 510 N -1.73 3.39 -2.36 4.39 7.64 0.14 -4.96 113.62 120.14 1n52 n SER 510 Ca 0.00 -1.96 -0.12 0.00 1.01 0.00 0.00 58.87 57.81 1n52 n SER 510 Cb 0.06 -0.31 0.05 0.00 -1.01 0.00 0.00 64.21 62.99 1n52 n SER 510 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1n52 n LYS 511 N 1.23 -4.26 -0.91 1.43 4.76 -0.65 -4.99 118.16 114.76 1n52 n LYS 511 Ca 0.18 0.49 -0.30 0.00 -2.87 0.00 0.00 58.31 55.81 1n52 n LYS 511 Cb 0.54 -4.47 0.17 0.00 -1.84 0.00 0.00 35.03 29.43 1n52 n LYS 511 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n52 s ALA 512 N -3.20 1.05 0.40 7.82 0.00 -0.80 -5.03 121.76 122.00 1n52 s ALA 512 Ca 0.17 0.11 0.08 0.00 0.00 0.00 0.00 51.96 52.32 1n52 s ALA 512 Cb -0.08 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1n52 s ALA 512 CO 0.43 -2.81 0.31 0.95 0.00 0.00 0.00 175.76 174.64 1n52 s THR 513 N -2.74 2.77 0.10 0.00 -4.23 -1.26 -4.96 115.64 105.33 1n52 s THR 513 Ca 0.65 -1.43 -0.30 0.00 -1.18 0.00 0.00 61.69 59.43 1n52 s THR 513 Cb -0.21 -3.03 -0.12 0.00 1.34 0.00 0.00 72.50 70.48 1n52 s THR 513 CO 0.59 -0.04 1.62 0.78 -0.54 0.00 0.00 174.62 177.03 1n52 h ASN 514 N 1.17 -0.88 -0.90 3.99 4.21 -1.97 -0.76 115.58 120.44 1n52 h ASN 514 Ca -0.42 0.08 0.11 0.00 1.21 0.00 0.00 56.30 57.28 1n52 h ASN 514 Cb 1.26 0.30 -0.07 0.00 -1.12 0.00 0.00 38.32 38.70 1n52 h ASN 514 CO 0.60 -0.45 0.58 0.44 -1.29 0.00 0.00 177.43 177.31 1n52 h ASP 515 N -0.66 0.77 -0.01 5.81 3.32 -1.98 0.46 116.42 124.14 1n52 h ASP 515 Ca -0.01 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1n52 h ASP 515 Cb 0.61 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 1n52 h ASP 515 CO -0.08 0.43 0.00 -0.33 -1.72 0.00 0.00 179.24 177.54 1n52 h GLU 516 N 0.83 0.01 -0.73 3.56 5.08 -1.86 -0.30 114.58 121.18 1n52 h GLU 516 Ca 0.43 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.80 1n52 h GLU 516 Cb 0.52 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1n52 h GLU 516 CO -0.20 0.16 0.48 0.82 -1.00 0.00 0.00 179.01 179.28 1n52 h ILE 517 N -0.15 1.19 -0.59 3.13 1.08 0.36 -0.88 117.51 121.65 1n52 h ILE 517 Ca 0.00 -0.34 -0.00 0.00 -0.39 0.00 0.00 64.86 64.13 1n52 h ILE 517 Cb 0.16 0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 33.99 1n52 h ILE 517 CO -0.00 0.18 0.36 -0.26 -0.69 0.00 0.00 178.15 177.74 1n52 h PHE 518 N 0.99 0.77 0.37 1.37 0.04 0.23 -0.69 116.94 120.02 1n52 h PHE 518 Ca 0.27 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.03 1n52 h PHE 518 Cb -0.11 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 37.77 1n52 h PHE 518 CO 0.00 0.52 -0.29 1.03 -0.60 0.00 0.00 178.31 178.97 1n52 h SER 519 N 0.80 -0.75 -0.99 2.17 0.87 0.17 0.18 113.55 115.99 1n52 h SER 519 Ca 0.21 0.06 0.21 0.00 -1.23 0.00 0.00 61.79 61.04 1n52 h SER 519 Cb -0.03 0.24 -0.10 0.00 -0.44 0.00 0.00 62.40 62.07 1n52 h SER 519 CO -0.04 -0.43 0.62 0.40 -0.53 0.00 0.00 176.83 176.85 1n52 h ILE 520 N -0.66 0.64 0.00 2.23 1.08 -0.94 0.26 117.51 120.12 1n52 h ILE 520 Ca -0.03 -0.20 -0.04 0.00 -0.39 0.00 0.00 64.86 64.20 1n52 h ILE 520 Cb 0.57 -0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.31 1n52 h ILE 520 CO -0.01 0.11 -0.19 -0.07 -0.69 0.00 0.00 178.15 177.30 1n52 h LEU 521 N 0.60 0.00 -2.65 1.44 3.38 -0.11 -3.15 115.31 114.81 1n52 h LEU 521 Ca 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.54 1n52 h LEU 521 Cb 1.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1n52 h LEU 521 CO -0.33 0.19 -0.01 0.11 0.09 0.00 0.00 178.44 178.49 1n52 h LYS 522 N 0.00 0.00 -1.61 1.13 1.57 0.25 -2.56 116.57 115.34 1n52 h LYS 522 Ca -0.00 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.36 1n52 h LYS 522 Cb 0.94 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.08 1n52 h LYS 522 CO 0.02 0.01 0.47 -0.25 -0.57 0.00 0.00 179.45 179.13 1n52 n ASP 523 N -3.21 6.62 -4.01 0.86 8.00 -1.19 -4.87 116.55 118.73 1n52 n ASP 523 Ca -0.02 -3.19 -0.30 0.00 0.71 0.00 0.00 54.79 51.98 1n52 n ASP 523 Cb 0.11 -1.10 -0.16 0.00 -0.02 0.00 0.00 41.12 39.95 1n52 n ASP 523 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1n52 s VAL 524 N -2.58 1.60 0.22 2.53 1.01 -0.97 -4.93 120.40 117.29 1n52 s VAL 524 Ca 0.43 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 1n52 s VAL 524 Cb 0.31 -1.56 -0.09 0.00 0.00 0.00 0.00 36.38 35.05 1n52 s VAL 524 CO -0.07 0.37 0.92 -2.16 0.00 0.00 0.00 175.10 174.16 1n52 s PRO 525 N 1.46 4.81 0.00 2.72 0.04 -1.26 -4.94 135.00 137.82 1n52 s PRO 525 Ca 0.03 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1n52 s PRO 525 Cb -0.14 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1n52 s PRO 525 CO -0.10 0.50 0.00 -1.71 0.04 0.00 0.00 177.00 175.73 1n52 n ASN 526 N 1.61 0.00 0.00 6.66 2.85 -1.26 -4.77 115.26 120.36 1n52 n ASN 526 Ca -0.02 -0.16 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 1n52 n ASN 526 Cb 0.47 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.49 1n52 n ASN 526 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 1n52 n PHE 539 N -0.30 0.00 -3.72 1.20 7.35 -1.26 -4.82 117.46 115.92 1n52 n PHE 539 Ca 0.00 0.00 -0.38 0.00 -0.76 0.00 0.00 57.45 56.31 1n52 n PHE 539 Cb 0.00 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 39.72 1n52 n PHE 539 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1n52 s ASN 540 N 0.00 5.38 0.13 -2.13 3.84 -1.26 -4.99 114.94 115.90 1n52 s ASN 540 Ca 0.00 -1.94 -0.22 0.00 0.21 0.00 0.00 52.86 50.91 1n52 s ASN 540 Cb 0.00 -1.88 -0.02 0.00 -0.55 0.00 0.00 41.25 38.80 1n52 s ASN 540 CO 0.00 -0.57 1.67 1.55 -2.79 0.00 0.00 177.10 176.96 1n52 h PRO 541 N 8.17 -0.18 -0.70 0.43 0.13 -1.95 -2.79 132.00 135.12 1n52 h PRO 541 Ca -0.16 0.01 0.11 0.00 -0.87 0.00 0.00 66.00 65.09 1n52 h PRO 541 Cb 1.06 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.18 1n52 h PRO 541 CO 0.74 -0.12 0.46 1.25 -0.23 0.00 0.00 178.00 180.10 1n52 h LEU 542 N -0.18 0.46 -0.28 1.56 5.85 -1.87 -1.83 115.31 119.02 1n52 h LEU 542 Ca 0.09 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1n52 h LEU 542 Cb 0.32 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1n52 h LEU 542 CO -0.24 0.27 0.03 0.11 -0.34 0.00 0.00 178.44 178.28 1n52 h LYS 543 N 0.51 0.47 0.47 1.25 1.57 -1.82 -2.61 116.57 116.42 1n52 h LYS 543 Ca 0.33 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1n52 h LYS 543 Cb 0.58 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1n52 h LYS 543 CO -0.11 0.60 -0.47 0.82 -0.57 0.00 0.00 179.45 179.72 1n52 h ILE 544 N 0.28 0.07 -0.57 1.86 2.04 -1.20 -1.69 117.51 118.31 1n52 h ILE 544 Ca 0.08 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.06 1n52 h ILE 544 Cb 0.36 0.07 -0.10 0.00 -0.74 0.00 0.00 36.82 36.42 1n52 h ILE 544 CO 0.01 0.00 -0.05 -0.08 0.00 0.00 0.00 178.15 178.03 1n52 h GLU 545 N -0.95 0.07 -0.03 2.37 4.81 -1.42 0.19 114.58 119.61 1n52 h GLU 545 Ca -0.05 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 1n52 h GLU 545 Cb 0.83 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 1n52 h GLU 545 CO -0.06 0.04 -0.45 -0.39 -0.73 0.00 0.00 179.01 177.42 1n52 h VAL 546 N 0.07 1.33 0.44 0.32 -1.51 -1.39 -0.21 116.25 115.30 1n52 h VAL 546 Ca 0.29 -1.58 -0.02 0.00 -1.23 0.00 0.00 66.70 64.15 1n52 h VAL 546 Cb 0.45 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.43 1n52 h VAL 546 CO -0.52 0.46 -0.21 0.15 -1.23 0.00 0.00 177.57 176.22 1n52 h PHE 547 N 0.06 -0.54 0.40 5.19 3.57 -0.31 -2.80 116.94 122.52 1n52 h PHE 547 Ca 0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1n52 h PHE 547 Cb 0.83 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 1n52 h PHE 547 CO 0.00 -0.31 -0.37 0.28 -2.23 0.00 0.00 178.31 175.69 1n52 h VAL 548 N -1.13 0.24 -1.01 1.41 2.07 -0.71 0.51 116.25 117.63 1n52 h VAL 548 Ca -0.06 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.72 1n52 h VAL 548 Cb 0.48 0.24 -0.13 0.00 -1.52 0.00 0.00 31.29 30.36 1n52 h VAL 548 CO 0.10 0.00 0.60 1.56 0.02 0.00 0.00 177.57 179.85 1n52 h GLN 549 N -0.79 0.52 0.11 1.57 1.08 -1.17 -0.46 115.11 115.97 1n52 h GLN 549 Ca -0.03 -0.03 -0.19 0.00 -1.45 0.00 0.00 58.65 56.95 1n52 h GLN 549 Cb 0.70 -0.12 0.01 0.00 -0.05 0.00 0.00 27.48 28.02 1n52 h GLN 549 CO -0.05 0.34 -0.89 1.15 -0.95 0.00 0.00 178.83 178.44 1n52 h THR 550 N 0.53 1.39 -0.66 -0.54 2.02 -1.15 -2.98 112.91 111.52 1n52 h THR 550 Ca 0.66 -2.46 -0.01 0.00 0.77 0.00 0.00 66.41 65.37 1n52 h THR 550 Cb 1.32 3.05 -0.03 0.00 -1.74 0.00 0.00 68.15 70.75 1n52 h THR 550 CO -0.48 0.68 0.39 0.25 0.37 0.00 0.00 175.52 176.72 1n52 h LEU 551 N -0.47 0.81 -0.40 2.58 5.85 0.45 -2.62 115.31 121.51 1n52 h LEU 551 Ca -0.18 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.35 1n52 h LEU 551 Cb 1.57 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 1n52 h LEU 551 CO 0.09 0.65 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.56 1n52 h LEU 552 N 0.90 0.88 -1.20 2.25 3.38 -1.24 -3.17 115.31 117.12 1n52 h LEU 552 Ca 0.24 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1n52 h LEU 552 Cb 0.00 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1n52 h LEU 552 CO -0.04 1.10 0.54 -0.74 0.09 0.00 0.00 178.44 179.39 1n52 h HIS 553 N 0.67 1.01 -0.18 1.13 2.76 -1.37 -2.01 115.15 117.15 1n52 h HIS 553 Ca 0.09 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1n52 h HIS 553 Cb 0.77 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.39 1n52 h HIS 553 CO 0.06 0.61 0.00 1.28 -1.30 0.00 0.00 177.93 178.58 1n52 n LEU 554 N -4.43 1.91 -0.45 0.26 4.77 -1.00 -3.07 117.00 114.99 1n52 n LEU 554 Ca 0.10 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 1n52 n LEU 554 Cb 0.07 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1n52 n LEU 554 CO 0.36 0.33 0.24 0.00 -1.33 0.00 0.00 177.39 176.99 1n52 n ALA 555 N 0.16 1.89 1.78 -1.18 0.00 -0.82 -4.89 120.51 117.46 1n52 n ALA 555 Ca 0.08 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1n52 n ALA 555 Cb 0.39 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1n52 n ALA 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n52 n ALA 556 N 0.00 2.40 -0.00 0.00 0.00 -0.84 -3.44 120.51 118.62 1n52 n ALA 556 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1n52 n ALA 556 Cb 0.64 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.96 1n52 n ALA 556 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1n52 h LYS 557 N 0.00 0.00 -3.31 0.00 3.64 -1.89 -3.48 116.57 111.54 1n52 h LYS 557 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1n52 h LYS 557 Cb 0.01 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.73 1n52 h LYS 557 CO 0.00 0.56 0.03 -1.54 -2.27 0.00 0.00 179.45 176.23 1n52 s SER 558 N -6.17 -0.26 0.13 4.20 1.04 -1.23 -5.04 113.70 106.38 1n52 s SER 558 Ca -0.04 -0.49 -0.14 0.00 0.48 0.00 0.00 55.95 55.77 1n52 s SER 558 Cb 0.08 0.58 -0.00 0.00 0.10 0.00 0.00 66.02 66.78 1n52 s SER 558 CO 0.82 -1.06 1.60 -0.26 0.98 0.00 0.00 173.24 175.33 1n52 h PHE 559 N 2.19 0.80 0.00 5.02 0.04 -1.94 -2.87 116.94 120.18 1n52 h PHE 559 Ca -0.29 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.35 1n52 h PHE 559 Cb 1.26 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 39.20 1n52 h PHE 559 CO 0.35 0.77 -0.08 1.03 -0.60 0.00 0.00 178.31 179.78 1n52 h SER 560 N 0.59 0.00 0.01 2.17 0.87 -1.96 -1.36 113.55 113.87 1n52 h SER 560 Ca 0.13 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1n52 h SER 560 Cb 0.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1n52 h SER 560 CO 0.01 0.08 -0.01 0.45 -0.53 0.00 0.00 176.83 176.84 1n52 h HIS 561 N 0.00 -0.02 -0.94 2.24 3.86 -1.78 -2.84 115.15 115.68 1n52 h HIS 561 Ca -0.00 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.28 1n52 h HIS 561 Cb 0.20 0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.61 1n52 h HIS 561 CO 0.00 0.69 0.61 0.77 0.86 0.00 0.00 177.93 180.86 1n52 h SER 562 N -0.76 0.94 0.66 2.45 0.02 -1.28 0.19 113.55 115.77 1n52 h SER 562 Ca -0.00 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1n52 h SER 562 Cb 0.71 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 63.07 1n52 h SER 562 CO 0.00 0.60 -0.32 -0.26 -1.14 0.00 0.00 176.83 175.71 1n52 h PHE 563 N 1.07 -0.82 -0.95 3.45 0.05 -1.32 -0.85 116.94 117.58 1n52 h PHE 563 Ca 0.41 -0.02 0.17 0.00 3.82 0.00 0.00 57.97 62.35 1n52 h PHE 563 Cb 0.22 0.27 -0.08 0.00 2.00 0.00 0.00 35.95 38.35 1n52 h PHE 563 CO -0.00 -0.51 0.60 0.66 -0.18 0.00 0.00 178.31 178.88 1n52 h SER 564 N -0.93 0.67 -0.19 2.17 4.64 -1.30 0.23 113.55 118.84 1n52 h SER 564 Ca -0.09 0.06 0.04 0.00 -0.47 0.00 0.00 61.79 61.33 1n52 h SER 564 Cb 0.68 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.66 1n52 h SER 564 CO 0.15 0.29 -0.08 0.00 -0.87 0.00 0.00 176.83 176.32 1n52 h ALA 565 N 1.61 0.08 -0.46 5.18 0.00 -0.38 0.42 119.26 125.71 1n52 h ALA 565 Ca 0.50 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.46 1n52 h ALA 565 Cb 0.86 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1n52 h ALA 565 CO -0.26 -0.51 0.18 -0.07 0.00 0.00 0.00 179.25 178.59 1n52 h LEU 566 N -0.06 0.59 -0.19 0.00 3.38 0.83 -2.48 115.31 117.39 1n52 h LEU 566 Ca 0.10 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 1n52 h LEU 566 Cb 0.21 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1n52 h LEU 566 CO -0.22 0.54 -0.49 0.00 0.09 0.00 0.00 178.44 178.36 1n52 h ALA 567 N 1.55 0.31 0.45 1.53 0.00 -0.05 -2.19 119.26 120.86 1n52 h ALA 567 Ca 0.16 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1n52 h ALA 567 Cb 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1n52 h ALA 567 CO -0.01 0.48 -0.22 -0.22 0.00 0.00 0.00 179.25 179.28 1n52 h LYS 568 N 0.35 -0.59 -1.28 0.00 3.64 -0.03 -3.13 116.57 115.53 1n52 h LYS 568 Ca -0.01 0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.20 1n52 h LYS 568 Cb 1.11 0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 32.95 1n52 h LYS 568 CO 0.11 -0.39 0.27 1.19 -2.27 0.00 0.00 179.45 178.35 1n52 n PHE 569 N -4.06 1.11 -0.30 1.91 3.01 -0.95 -4.34 117.46 113.85 1n52 n PHE 569 Ca -0.08 -1.29 -0.01 0.00 1.01 0.00 0.00 57.45 57.08 1n52 n PHE 569 Cb 0.24 -0.64 0.17 0.00 -0.01 0.00 0.00 39.48 39.24 1n52 n PHE 569 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1n52 h HIS 570 N 0.78 1.11 -0.81 1.38 2.76 -1.33 -2.30 115.15 116.74 1n52 h HIS 570 Ca 0.22 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 1n52 h HIS 570 Cb 1.35 -0.37 -0.04 0.00 1.55 0.00 0.00 27.41 29.90 1n52 h HIS 570 CO 0.60 0.72 0.47 1.49 -1.30 0.00 0.00 177.93 179.91 1n52 h GLU 571 N 1.19 1.10 0.15 5.26 4.81 -1.85 -1.84 114.58 123.41 1n52 h GLU 571 Ca 0.32 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1n52 h GLU 571 Cb -0.11 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.05 1n52 h GLU 571 CO -0.07 0.78 -0.07 0.28 -0.73 0.00 0.00 179.01 179.20 1n52 h VAL 572 N 1.12 0.87 -0.35 0.32 2.07 -1.76 -2.71 116.25 115.81 1n52 h VAL 572 Ca 0.29 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 67.80 1n52 h VAL 572 Cb -0.02 0.92 -0.09 0.00 -1.52 0.00 0.00 31.29 30.58 1n52 h VAL 572 CO -0.05 0.02 -0.31 -0.26 0.02 0.00 0.00 177.57 176.99 1n52 h PHE 573 N -0.24 -0.85 0.00 1.57 -1.00 -1.21 0.12 116.94 115.33 1n52 h PHE 573 Ca -0.02 0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.81 1n52 h PHE 573 Cb 0.19 0.43 0.00 0.00 3.61 0.00 0.00 35.95 40.17 1n52 h PHE 573 CO -0.06 -0.37 0.15 0.87 -1.61 0.00 0.00 178.31 177.30 1n52 h LYS 574 N -0.26 0.00 0.00 1.51 1.79 -1.17 -0.79 116.57 117.64 1n52 h LYS 574 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1n52 h LYS 574 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1n52 h LYS 574 CO -0.50 0.00 -0.46 2.41 -1.08 0.00 0.00 179.45 179.82 1n52 n THR 575 N -2.72 1.28 -0.22 -0.16 -1.04 0.31 -3.72 114.28 108.00 1n52 n THR 575 Ca -0.02 0.25 0.07 0.00 -2.04 0.00 0.00 64.05 62.31 1n52 n THR 575 Cb 0.20 -2.31 0.34 0.00 -1.82 0.00 0.00 70.33 66.75 1n52 n THR 575 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1n52 h LEU 576 N -0.90 0.69 -4.54 -4.42 3.38 -1.03 -2.70 115.31 105.79 1n52 h LEU 576 Ca 0.00 0.01 -0.68 0.00 0.09 0.00 0.00 57.88 57.30 1n52 h LEU 576 Cb 0.46 -0.14 -0.33 0.00 0.09 0.00 0.00 40.66 40.75 1n52 h LEU 576 CO 0.00 0.43 0.38 0.00 0.09 0.00 0.00 178.44 179.34 1n52 n ALA 577 N -2.44 5.97 0.37 1.53 0.00 -0.32 -4.63 120.51 120.99 1n52 n ALA 577 Ca 0.13 -4.00 0.13 0.00 0.00 0.00 0.00 53.44 49.69 1n52 n ALA 577 Cb 0.28 -1.41 0.38 0.00 0.00 0.00 0.00 19.45 18.69 1n52 n ALA 577 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1n52 h GLU 578 N 2.60 0.00 -6.15 0.00 4.81 -1.56 -3.37 114.58 110.91 1n52 h GLU 578 Ca 0.49 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 59.20 1n52 h GLU 578 Cb 0.57 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.90 1n52 h GLU 578 CO 1.25 0.00 -0.48 -1.54 -0.73 0.00 0.00 179.01 177.51 1n52 s SER 579 N -5.38 5.01 0.34 1.04 1.04 -1.26 -5.00 113.70 109.50 1n52 s SER 579 Ca 0.07 -0.63 0.06 0.00 0.48 0.00 0.00 55.95 55.93 1n52 s SER 579 Cb 0.08 -0.84 0.61 0.00 0.10 0.00 0.00 66.02 65.97 1n52 s SER 579 CO 0.59 -0.35 1.83 0.44 0.98 0.00 0.00 173.24 176.73 1n52 h ASP 580 N 1.36 0.35 -0.44 7.02 3.32 -1.98 0.10 116.42 126.15 1n52 h ASP 580 Ca -0.44 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.44 1n52 h ASP 580 Cb 1.25 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 1n52 h ASP 580 CO 0.60 0.54 -0.01 -0.33 -1.72 0.00 0.00 179.24 178.32 1n52 h GLU 581 N 0.33 0.86 -0.02 3.56 5.08 -1.95 0.60 114.58 123.04 1n52 h GLU 581 Ca 0.06 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1n52 h GLU 581 Cb 0.49 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1n52 h GLU 581 CO 0.03 0.87 -0.00 0.78 -1.00 0.00 0.00 179.01 179.68 1n52 h GLY 582 N 0.99 0.04 0.51 -3.84 0.00 -1.62 0.26 103.07 99.41 1n52 h GLY 582 Ca 0.15 -0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.49 1n52 h GLY 582 CO 0.02 0.03 -0.11 0.50 0.00 0.00 0.00 176.54 176.98 1n52 h LYS 583 N -0.32 -0.12 -0.91 4.80 1.57 -0.51 0.50 116.57 121.59 1n52 h LYS 583 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1n52 h LYS 583 Cb 0.38 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 1n52 h LYS 583 CO 0.00 -0.08 0.58 1.25 -0.57 0.00 0.00 179.45 180.64 1n52 h LEU 584 N -0.12 1.06 -0.99 2.94 5.85 0.28 -2.54 115.31 121.79 1n52 h LEU 584 Ca 0.10 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1n52 h LEU 584 Cb 0.26 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1n52 h LEU 584 CO -0.23 0.78 -0.20 -0.74 -0.34 0.00 0.00 178.44 177.72 1n52 h HIS 585 N 1.23 0.55 0.64 1.25 2.76 0.32 -1.37 115.15 120.54 1n52 h HIS 585 Ca 0.33 -0.10 -0.03 0.00 -2.20 0.00 0.00 60.37 58.37 1n52 h HIS 585 Cb -0.11 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 28.71 1n52 h HIS 585 CO -0.00 0.67 -0.36 0.28 -1.30 0.00 0.00 177.93 177.21 1n52 h VAL 586 N 0.45 0.27 -0.95 5.26 2.07 -0.52 -0.60 116.25 122.24 1n52 h VAL 586 Ca 0.07 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.77 1n52 h VAL 586 Cb 0.60 0.27 -0.10 0.00 -1.52 0.00 0.00 31.29 30.53 1n52 h VAL 586 CO 0.04 0.00 0.54 -0.07 0.02 0.00 0.00 177.57 178.10 1n52 h LEU 587 N -0.93 0.69 -0.69 2.57 3.38 -1.34 0.12 115.31 119.10 1n52 h LEU 587 Ca -0.08 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1n52 h LEU 587 Cb 0.74 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1n52 h LEU 587 CO 0.11 0.26 0.26 -0.09 0.09 0.00 0.00 178.44 179.06 1n52 h ARG 588 N 0.72 1.04 0.02 1.13 2.43 -0.66 -0.88 114.38 118.18 1n52 h ARG 588 Ca 0.53 -0.20 -0.25 0.00 -0.81 0.00 0.00 59.98 59.25 1n52 h ARG 588 Cb 0.79 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1n52 h ARG 588 CO -0.37 0.88 -1.03 0.28 -1.51 0.00 0.00 179.97 178.21 1n52 h VAL 589 N 0.99 1.34 -0.62 0.20 2.07 -0.02 -2.01 116.25 118.20 1n52 h VAL 589 Ca 0.23 -2.39 -0.01 0.00 0.82 0.00 0.00 66.70 65.35 1n52 h VAL 589 Cb 0.24 2.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.43 1n52 h VAL 589 CO -0.02 0.72 0.35 -0.03 0.02 0.00 0.00 177.57 178.62 1n52 h MET 590 N 0.30 0.86 -0.66 1.57 1.85 -0.74 -0.09 114.93 118.02 1n52 h MET 590 Ca -0.12 -0.09 -0.05 0.00 -0.61 0.00 0.00 59.70 58.83 1n52 h MET 590 Cb 1.68 -0.17 -0.03 0.00 0.43 0.00 0.00 31.60 33.51 1n52 h MET 590 CO 0.19 0.64 0.20 0.35 -0.40 0.00 0.00 176.91 177.89 1n52 h PHE 591 N 0.84 1.03 -0.83 1.39 3.57 -1.14 0.75 116.94 122.55 1n52 h PHE 591 Ca 0.22 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.64 1n52 h PHE 591 Cb 0.02 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.42 1n52 h PHE 591 CO -0.01 0.83 0.55 0.93 -2.23 0.00 0.00 178.31 178.37 1n52 h GLU 592 N 0.97 1.07 -0.11 1.11 4.39 -0.54 0.17 114.58 121.63 1n52 h GLU 592 Ca 0.21 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.80 1n52 h GLU 592 Cb 0.28 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1n52 h GLU 592 CO -0.01 0.71 -0.13 0.28 -1.16 0.00 0.00 179.01 178.70 1n52 h VAL 593 N 1.10 1.36 -0.34 3.13 2.07 -0.37 -3.37 116.25 119.83 1n52 h VAL 593 Ca 0.32 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1n52 h VAL 593 Cb -0.08 1.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1n52 h VAL 593 CO -0.08 0.38 0.00 0.79 0.02 0.00 0.00 177.57 178.68 1n52 n TRP 594 N -4.61 1.24 0.12 1.57 7.02 0.19 -1.69 117.44 121.29 1n52 n TRP 594 Ca -0.07 -0.86 0.05 0.00 -1.02 0.00 0.00 57.50 55.61 1n52 n TRP 594 Cb 0.35 -0.37 0.29 0.00 -2.42 0.00 0.00 31.31 29.15 1n52 n TRP 594 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 1n52 n ARG 595 N -0.25 0.07 -0.00 -0.99 1.85 0.04 -0.26 116.66 117.11 1n52 n ARG 595 Ca 0.23 0.51 0.12 0.00 -1.00 0.00 0.00 57.85 57.72 1n52 n ARG 595 Cb 0.98 -1.96 0.18 0.00 -1.05 0.00 0.00 32.46 30.61 1n52 n ARG 595 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1n52 n ASN 596 N -1.88 2.74 -3.39 2.89 3.02 -1.26 -4.63 115.26 112.75 1n52 n ASN 596 Ca -0.01 -1.91 -0.26 0.00 -0.03 0.00 0.00 54.58 52.37 1n52 n ASN 596 Cb 0.24 -0.01 -0.09 0.00 -0.61 0.00 0.00 39.78 39.32 1n52 n ASN 596 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1n52 n HIS 597 N 1.15 0.26 -0.34 3.10 -0.00 0.65 -3.87 115.22 116.15 1n52 n HIS 597 Ca 0.15 -3.61 0.20 0.00 0.46 0.00 0.00 57.72 54.93 1n52 n HIS 597 Cb 0.56 -0.14 0.43 0.00 -0.12 0.00 0.00 29.99 30.72 1n52 n HIS 597 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1n52 h PRO 598 N 4.90 0.46 -0.13 1.57 0.11 -1.82 0.78 132.00 137.86 1n52 h PRO 598 Ca 0.18 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.18 1n52 h PRO 598 Cb 0.85 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 1n52 h PRO 598 CO 0.49 0.31 -0.26 0.37 -0.21 0.00 0.00 178.00 178.70 1n52 h GLN 599 N 0.48 0.24 -0.00 1.05 4.15 -1.94 -1.63 115.11 117.46 1n52 h GLN 599 Ca 0.66 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 60.00 1n52 h GLN 599 Cb 1.42 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.09 1n52 h GLN 599 CO -0.48 0.50 -0.01 1.98 -1.93 0.00 0.00 178.83 178.89 1n52 h MET 600 N 0.22 0.01 -0.54 1.69 4.05 -1.23 -2.64 114.93 116.50 1n52 h MET 600 Ca 0.03 -0.01 0.11 0.00 -0.28 0.00 0.00 59.70 59.55 1n52 h MET 600 Cb 0.59 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.30 1n52 h MET 600 CO 0.04 0.57 -0.01 0.82 0.23 0.00 0.00 176.91 178.57 1n52 h ILE 601 N -0.55 0.56 0.30 1.77 2.04 -1.22 -1.05 117.51 119.37 1n52 h ILE 601 Ca 0.00 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1n52 h ILE 601 Cb 0.57 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1n52 h ILE 601 CO 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 178.15 178.02 1n52 h ALA 602 N 1.49 -0.41 0.00 1.87 0.00 -1.31 -0.75 119.26 120.14 1n52 h ALA 602 Ca 0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1n52 h ALA 602 Cb 0.42 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1n52 h ALA 602 CO -0.46 -0.73 -0.17 -0.39 0.00 0.00 0.00 179.25 177.50 1n52 h VAL 603 N -0.42 0.92 0.00 0.00 -1.51 -1.19 -1.40 116.25 112.66 1n52 h VAL 603 Ca -0.04 -0.61 -0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1n52 h VAL 603 Cb 0.33 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.83 1n52 h VAL 603 CO 0.06 0.16 -0.00 -0.07 -1.23 0.00 0.00 177.57 176.49 1n52 h LEU 604 N 0.00 -0.00 -0.39 4.19 3.38 -0.83 -1.84 115.31 119.82 1n52 h LEU 604 Ca -0.00 -0.68 0.07 0.00 0.09 0.00 0.00 57.88 57.36 1n52 h LEU 604 Cb 0.34 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 1n52 h LEU 604 CO 0.02 0.68 -0.01 0.58 0.09 0.00 0.00 178.44 179.81 1n52 h VAL 605 N -0.69 0.69 -0.01 1.22 2.07 -0.91 0.35 116.25 118.97 1n52 h VAL 605 Ca -0.00 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1n52 h VAL 605 Cb 0.69 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1n52 h VAL 605 CO 0.00 0.02 -0.24 -0.78 0.02 0.00 0.00 177.57 176.59 1n52 h ASP 606 N 0.09 -0.70 -0.92 0.57 1.82 -1.31 0.70 116.42 116.67 1n52 h ASP 606 Ca 0.19 0.10 0.05 0.00 -0.39 0.00 0.00 57.03 56.98 1n52 h ASP 606 Cb 0.27 0.29 -0.06 0.00 0.68 0.00 0.00 39.33 40.52 1n52 h ASP 606 CO -0.33 -0.31 0.60 0.50 -1.61 0.00 0.00 179.24 178.09 1n52 h LYS 607 N -0.37 1.07 -0.55 0.28 1.63 -0.43 -1.36 116.57 116.85 1n52 h LYS 607 Ca 0.06 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.73 1n52 h LYS 607 Cb 0.45 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 31.82 1n52 h LYS 607 CO -0.22 0.71 0.09 0.52 -3.45 0.00 0.00 179.45 177.10 1n52 h MET 608 N 1.11 0.91 -0.24 1.90 2.86 0.40 -2.03 114.93 119.83 1n52 h MET 608 Ca 0.38 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.74 1n52 h MET 608 Cb 0.09 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1n52 h MET 608 CO -0.13 0.88 0.01 0.82 1.06 0.00 0.00 176.91 179.55 1n52 h ILE 609 N 0.79 1.25 -0.01 -1.22 2.04 -0.20 0.15 117.51 120.31 1n52 h ILE 609 Ca 0.17 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 1n52 h ILE 609 Cb 0.41 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1n52 h ILE 609 CO 0.01 0.28 -0.10 0.03 0.00 0.00 0.00 178.15 178.37 1n52 h ARG 610 N 0.20 0.02 -0.69 2.37 3.08 -1.22 -1.00 114.38 117.14 1n52 h ARG 610 Ca 0.07 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1n52 h ARG 610 Cb 0.40 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1n52 h ARG 610 CO 0.01 0.12 0.00 0.25 -1.07 0.00 0.00 179.97 179.28 1n52 n THR 611 N -4.41 1.56 -2.98 2.04 -2.24 -0.77 -4.97 114.28 102.51 1n52 n THR 611 Ca -0.02 -1.12 -0.20 0.00 -2.27 0.00 0.00 64.05 60.44 1n52 n THR 611 Cb 0.18 0.24 0.01 0.00 -2.10 0.00 0.00 70.33 68.66 1n52 n THR 611 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n52 n GLN 612 N 1.32 -3.47 0.13 -0.78 6.02 -0.38 -4.84 117.38 115.38 1n52 n GLN 612 Ca 0.26 0.68 0.01 0.00 -0.01 0.00 0.00 57.00 57.93 1n52 n GLN 612 Cb 0.81 -5.41 0.01 0.00 1.02 0.00 0.00 30.24 26.67 1n52 n GLN 612 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1n52 h ILE 613 N -0.81 1.00 -3.97 5.09 2.04 -1.01 -3.46 117.51 116.39 1n52 h ILE 613 Ca -0.43 -2.38 -0.11 0.00 1.00 0.00 0.00 64.86 62.93 1n52 h ILE 613 Cb 1.30 2.48 -0.14 0.00 -0.74 0.00 0.00 36.82 39.72 1n52 h ILE 613 CO 0.51 0.56 -0.42 0.68 0.00 0.00 0.00 178.15 179.48 1n52 s VAL 614 N -2.94 0.11 0.39 1.67 -7.23 -1.21 -4.80 120.40 106.39 1n52 s VAL 614 Ca 0.03 -1.42 0.08 0.00 -1.81 0.00 0.00 61.98 58.86 1n52 s VAL 614 Cb 0.08 -1.65 -0.07 0.00 0.56 0.00 0.00 36.38 35.30 1n52 s VAL 614 CO 0.75 -0.52 0.02 1.51 -0.31 0.00 0.00 175.10 176.55 1n52 s ASP 615 N -2.93 3.98 0.26 4.85 1.47 -1.26 -4.22 116.67 118.82 1n52 s ASP 615 Ca 0.13 -1.23 -0.03 0.00 1.18 0.00 0.00 52.55 52.59 1n52 s ASP 615 Cb 0.05 -0.42 0.39 0.00 -0.34 0.00 0.00 42.92 42.60 1n52 s ASP 615 CO -0.05 -0.39 1.86 0.00 0.68 0.00 0.00 175.17 177.28 1n52 h ALA 617 N 1.44 0.46 -0.65 0.00 0.00 -1.96 0.19 119.26 118.74 1n52 h ALA 617 Ca 0.41 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1n52 h ALA 617 Cb 0.20 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1n52 h ALA 617 CO -0.18 -0.31 0.43 0.00 0.00 0.00 0.00 179.25 179.18 1n52 h ALA 618 N 1.31 0.83 -0.99 0.00 0.00 -1.76 -0.53 119.26 118.12 1n52 h ALA 618 Ca 0.20 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1n52 h ALA 618 Cb 0.24 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1n52 h ALA 618 CO -0.26 0.27 0.65 0.28 0.00 0.00 0.00 179.25 180.19 1n52 h VAL 619 N 0.89 1.18 -0.26 0.00 2.07 -0.51 0.15 116.25 119.77 1n52 h VAL 619 Ca 0.24 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1n52 h VAL 619 Cb -0.09 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.48 1n52 h VAL 619 CO -0.05 0.23 0.07 0.00 0.02 0.00 0.00 177.57 177.84 1n52 h ALA 620 N 1.42 0.34 -0.12 1.67 0.00 0.11 -0.75 119.26 121.93 1n52 h ALA 620 Ca 0.39 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1n52 h ALA 620 Cb -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1n52 h ALA 620 CO -0.12 -0.02 -0.27 -0.91 0.00 0.00 0.00 179.25 177.93 1n52 h ASN 621 N 0.25 0.21 -0.12 0.00 2.35 -0.57 -2.74 115.58 114.96 1n52 h ASN 621 Ca 0.08 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1n52 h ASN 621 Cb 0.26 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 1n52 h ASN 621 CO -0.00 0.49 0.03 -0.25 -1.65 0.00 0.00 177.43 176.05 1n52 h TRP 622 N 0.19 0.19 -0.91 1.19 7.01 -0.31 -1.87 115.95 121.44 1n52 h TRP 622 Ca 0.03 -0.02 0.18 0.00 2.11 0.00 0.00 58.89 61.19 1n52 h TRP 622 Cb 0.58 -0.05 -0.11 0.00 -2.10 0.00 0.00 29.16 27.48 1n52 h TRP 622 CO 0.01 0.32 0.48 0.82 -2.79 0.00 0.00 178.44 177.28 1n52 h ILE 623 N -0.00 0.65 -0.34 2.65 1.08 -0.84 0.27 117.51 120.98 1n52 h ILE 623 Ca 0.04 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1n52 h ILE 623 Cb 0.22 -0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.97 1n52 h ILE 623 CO -0.00 0.11 0.00 0.49 -0.69 0.00 0.00 178.15 178.06 1n52 n PHE 624 N -4.89 0.44 -1.57 1.37 3.01 -1.15 -4.82 117.46 109.86 1n52 n PHE 624 Ca 0.20 -0.22 -0.33 0.00 1.01 0.00 0.00 57.45 58.12 1n52 n PHE 624 Cb 0.54 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 40.07 1n52 n PHE 624 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1n52 s SER 625 N -1.34 4.79 0.47 4.37 1.04 0.08 -4.92 113.70 118.19 1n52 s SER 625 Ca 0.34 2.01 0.20 0.00 0.48 0.00 0.00 55.95 58.98 1n52 s SER 625 Cb 0.18 -2.55 1.14 0.00 0.10 0.00 0.00 66.02 64.89 1n52 s SER 625 CO 0.26 -1.85 1.99 0.77 0.98 0.00 0.00 173.24 175.39 1n52 h SER 626 N -0.32 0.00 0.46 7.02 4.64 -1.90 -2.25 113.55 121.20 1n52 h SER 626 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1n52 h SER 626 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1n52 h SER 626 CO 0.52 0.19 0.00 -0.33 -0.87 0.00 0.00 176.83 176.35 1n52 h GLU 627 N 0.00 0.00 -0.01 4.77 3.07 -1.91 -2.18 114.58 118.32 1n52 h GLU 627 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1n52 h GLU 627 Cb 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1n52 h GLU 627 CO 0.02 0.00 -0.31 1.28 -1.40 0.00 0.00 179.01 178.61 1n52 n LEU 628 N -2.88 1.74 -0.34 1.33 4.77 -0.85 -4.64 117.00 116.12 1n52 n LEU 628 Ca -0.01 -0.79 0.27 0.00 -0.03 0.00 0.00 56.01 55.45 1n52 n LEU 628 Cb 0.17 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 41.77 1n52 n LEU 628 CO 0.21 0.33 1.13 0.28 -1.33 0.00 0.00 177.39 178.01 1n52 h SER 629 N 2.01 0.45 1.71 -1.43 0.02 -1.28 0.30 113.55 115.33 1n52 h SER 629 Ca 0.00 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1n52 h SER 629 Cb 0.58 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1n52 h SER 629 CO 0.00 -0.17 0.00 0.03 -1.14 0.00 0.00 176.83 175.55 1n52 h ARG 630 N 0.25 0.00 -0.14 3.45 3.08 -1.82 -3.17 114.38 116.04 1n52 h ARG 630 Ca 0.76 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.81 1n52 h ARG 630 Cb 1.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.91 1n52 h ARG 630 CO -0.59 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.06 1n52 n ASP 631 N -2.98 2.25 -0.35 7.04 8.00 0.69 -4.76 116.55 126.45 1n52 n ASP 631 Ca 0.03 -1.66 0.30 0.00 0.71 0.00 0.00 54.79 54.17 1n52 n ASP 631 Cb 0.46 -0.09 0.63 0.00 -0.02 0.00 0.00 41.12 42.11 1n52 n ASP 631 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1n52 h PHE 632 N 1.88 0.35 -0.50 1.24 3.57 -0.55 -1.29 116.94 121.64 1n52 h PHE 632 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1n52 h PHE 632 Cb 0.54 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1n52 h PHE 632 CO 0.09 0.00 0.00 0.25 -2.23 0.00 0.00 178.31 176.42 1n52 n THR 633 N -4.43 0.66 -2.77 4.41 -2.24 -1.26 -4.87 114.28 103.78 1n52 n THR 633 Ca 0.27 -0.77 -0.32 0.00 -2.27 0.00 0.00 64.05 60.96 1n52 n THR 633 Cb 1.12 0.64 -0.05 0.00 -2.10 0.00 0.00 70.33 69.94 1n52 n THR 633 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1n52 s ARG 634 N -1.34 4.01 0.17 -0.78 0.52 -0.49 -5.00 118.95 116.05 1n52 s ARG 634 Ca 0.41 0.85 -0.14 0.00 -0.52 0.00 0.00 55.73 56.33 1n52 s ARG 634 Cb 0.22 -2.26 0.09 0.00 0.52 0.00 0.00 34.95 33.52 1n52 s ARG 634 CO 0.30 -0.06 1.81 -0.07 0.02 0.00 0.00 175.30 177.30 1n52 h LEU 635 N 1.56 0.50 -1.93 2.53 3.38 -1.92 -3.02 115.31 116.40 1n52 h LEU 635 Ca -0.48 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.64 1n52 h LEU 635 Cb 1.18 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1n52 h LEU 635 CO 0.63 0.35 0.38 2.19 0.09 0.00 0.00 178.44 182.08 1n52 h PHE 636 N 0.61 0.08 -0.37 1.13 -0.00 -1.94 -0.69 116.94 115.76 1n52 h PHE 636 Ca 0.20 0.00 0.01 0.00 -0.00 0.00 0.00 57.97 58.18 1n52 h PHE 636 Cb 0.01 -0.03 -0.02 0.00 -0.00 0.00 0.00 35.95 35.91 1n52 h PHE 636 CO -0.06 0.03 0.23 0.28 -0.00 0.00 0.00 178.31 178.79 1n52 h VAL 637 N 0.07 1.07 0.06 0.88 2.07 -1.83 -1.53 116.25 117.04 1n52 h VAL 637 Ca 0.25 -0.16 -0.24 0.00 0.82 0.00 0.00 66.70 67.37 1n52 h VAL 637 Cb 0.92 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1n52 h VAL 637 CO -0.02 0.09 -1.06 -0.50 0.02 0.00 0.00 177.57 176.09 1n52 h TRP 638 N 0.47 0.42 -0.32 1.57 4.06 -1.49 -2.45 115.95 118.20 1n52 h TRP 638 Ca 0.14 -0.27 0.03 0.00 2.06 0.00 0.00 58.89 60.85 1n52 h TRP 638 Cb -0.03 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.08 1n52 h TRP 638 CO -0.06 1.15 0.22 1.49 -3.56 0.00 0.00 178.44 177.68 1n52 h GLU 639 N 0.11 0.32 0.03 0.49 4.81 -0.99 -0.13 114.58 119.21 1n52 h GLU 639 Ca -0.09 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.01 1n52 h GLU 639 Cb 1.75 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 31.07 1n52 h GLU 639 CO 0.17 0.21 -0.45 0.82 -0.73 0.00 0.00 179.01 179.03 1n52 h ILE 640 N 0.33 1.53 -0.80 2.32 2.04 -1.18 -2.75 117.51 119.01 1n52 h ILE 640 Ca 0.13 -2.15 0.04 0.00 1.00 0.00 0.00 64.86 63.88 1n52 h ILE 640 Cb 0.13 2.87 -0.05 0.00 -0.74 0.00 0.00 36.82 39.03 1n52 h ILE 640 CO -0.03 0.60 0.52 0.25 0.00 0.00 0.00 178.15 179.50 1n52 h LEU 641 N -0.40 0.83 -0.30 1.44 5.85 -0.89 -0.31 115.31 121.52 1n52 h LEU 641 Ca -0.07 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.48 1n52 h LEU 641 Cb 1.24 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1n52 h LEU 641 CO 0.09 0.56 -0.79 0.45 -0.34 0.00 0.00 178.44 178.41 1n52 h HIS 642 N 0.96 0.00 0.00 1.25 3.86 -1.14 -1.49 115.15 118.60 1n52 h HIS 642 Ca 0.32 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.43 1n52 h HIS 642 Cb 0.08 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1n52 h HIS 642 CO -0.00 0.79 -0.47 1.03 0.86 0.00 0.00 177.93 180.15 1n52 h SER 643 N 0.00 0.00 0.06 2.45 0.87 -1.06 -0.95 113.55 114.92 1n52 h SER 643 Ca -0.01 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.32 1n52 h SER 643 Cb 1.47 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.45 1n52 h SER 643 CO 0.10 0.47 -0.95 0.74 -0.53 0.00 0.00 176.83 176.66 1n52 h THR 644 N 0.00 1.35 -0.81 2.23 2.02 -0.86 -2.83 112.91 114.01 1n52 h THR 644 Ca -0.00 -2.30 -0.04 0.00 0.77 0.00 0.00 66.41 64.84 1n52 h THR 644 Cb 0.99 2.65 -0.04 0.00 -1.74 0.00 0.00 68.15 70.01 1n52 h THR 644 CO 0.06 0.69 0.35 0.40 0.37 0.00 0.00 175.52 177.39 1n52 h ILE 645 N 0.11 1.26 -0.47 3.11 2.04 -1.10 -2.40 117.51 120.07 1n52 h ILE 645 Ca -0.13 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 64.91 1n52 h ILE 645 Cb 1.65 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1n52 h ILE 645 CO 0.18 0.32 0.13 0.03 0.00 0.00 0.00 178.15 178.81 1n52 h ARG 646 N 1.16 0.74 -0.77 2.37 3.08 -1.22 -0.18 114.38 119.57 1n52 h ARG 646 Ca 0.27 -0.17 0.05 0.00 0.07 0.00 0.00 59.98 60.20 1n52 h ARG 646 Cb 0.17 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1n52 h ARG 646 CO -0.03 0.72 0.51 0.87 -1.07 0.00 0.00 179.97 180.98 1n52 h LYS 647 N 0.63 0.86 0.06 0.04 1.57 -1.30 0.78 116.57 119.21 1n52 h LYS 647 Ca 0.15 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1n52 h LYS 647 Cb 0.31 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1n52 h LYS 647 CO -0.00 0.57 -0.03 1.98 -0.57 0.00 0.00 179.45 181.40 1n52 h MET 648 N 0.89 -0.08 0.01 3.15 4.05 -0.94 -0.84 114.93 121.18 1n52 h MET 648 Ca 0.32 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.76 1n52 h MET 648 Cb 0.15 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 1n52 h MET 648 CO -0.10 0.24 -0.05 -0.91 0.23 0.00 0.00 176.91 176.31 1n52 h ASN 649 N -0.40 -0.14 -0.44 1.39 -0.26 -0.02 -0.55 115.58 115.15 1n52 h ASN 649 Ca -0.01 0.02 0.07 0.00 -0.56 0.00 0.00 56.30 55.83 1n52 h ASN 649 Cb 0.35 0.06 -0.06 0.00 -1.06 0.00 0.00 38.32 37.61 1n52 h ASN 649 CO 0.01 -0.08 0.08 0.11 -1.06 0.00 0.00 177.43 176.50 1n52 h LYS 650 N -0.10 0.21 0.01 0.81 1.79 0.53 -0.10 116.57 119.71 1n52 h LYS 650 Ca 0.02 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.51 1n52 h LYS 650 Cb 0.12 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.68 1n52 h LYS 650 CO -0.05 0.14 -0.27 1.25 -1.08 0.00 0.00 179.45 179.44 1n52 h HIS 651 N 0.21 -0.74 -0.16 -1.35 2.76 -0.67 0.72 115.15 115.93 1n52 h HIS 651 Ca 0.22 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.46 1n52 h HIS 651 Cb 0.28 0.33 -0.06 0.00 1.55 0.00 0.00 27.41 29.50 1n52 h HIS 651 CO -0.22 -0.37 -0.24 0.28 -1.30 0.00 0.00 177.93 176.09 1n52 h VAL 652 N -0.42 0.42 -0.61 5.26 2.07 -0.33 -2.01 116.25 120.62 1n52 h VAL 652 Ca 0.06 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.68 1n52 h VAL 652 Cb 0.50 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 30.62 1n52 h VAL 652 CO -0.23 0.00 0.21 -0.07 0.02 0.00 0.00 177.57 177.50 1n52 h LEU 653 N -0.29 0.18 0.26 2.57 3.38 -0.50 -1.45 115.31 119.46 1n52 h LEU 653 Ca 0.11 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1n52 h LEU 653 Cb 0.45 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1n52 h LEU 653 CO -0.32 0.11 -0.28 0.50 0.09 0.00 0.00 178.44 178.53 1n52 h LYS 654 N 0.38 -0.56 -0.94 1.13 3.64 -0.17 -1.46 116.57 118.59 1n52 h LYS 654 Ca 0.31 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.75 1n52 h LYS 654 Cb 0.41 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.30 1n52 h LYS 654 CO -0.33 -0.37 0.62 0.82 -2.27 0.00 0.00 179.45 177.92 1n52 h ILE 655 N -0.58 1.22 -0.50 2.00 2.04 -1.17 -1.96 117.51 118.56 1n52 h ILE 655 Ca -0.00 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.45 1n52 h ILE 655 Cb 0.54 -0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 1n52 h ILE 655 CO -0.08 0.23 0.29 1.56 0.00 0.00 0.00 178.15 180.15 1n52 h GLN 656 N 1.25 0.55 0.13 2.37 4.20 -0.81 -1.65 115.11 121.15 1n52 h GLN 656 Ca 0.35 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 59.02 1n52 h GLN 656 Cb -0.10 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.56 1n52 h GLN 656 CO -0.09 0.37 -0.06 1.57 -0.67 0.00 0.00 178.83 179.95 1n52 h LYS 657 N 0.57 -0.17 -0.57 1.46 2.10 -0.73 0.11 116.57 119.34 1n52 h LYS 657 Ca 0.20 0.01 0.12 0.00 -2.00 0.00 0.00 60.65 58.98 1n52 h LYS 657 Cb 0.04 0.04 -0.11 0.00 -0.90 0.00 0.00 32.23 31.30 1n52 h LYS 657 CO -0.10 -0.11 -0.12 0.93 -2.00 0.00 0.00 179.45 178.05 1n52 h GLU 658 N -0.18 0.02 -0.40 0.07 5.08 -1.04 0.49 114.58 118.62 1n52 h GLU 658 Ca -0.02 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1n52 h GLU 658 Cb 0.14 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1n52 h GLU 658 CO 0.03 0.01 0.20 1.25 -1.00 0.00 0.00 179.01 179.50 1n52 h LEU 659 N 0.02 0.29 -0.28 1.33 5.85 -0.94 0.40 115.31 121.98 1n52 h LEU 659 Ca 0.28 0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.09 1n52 h LEU 659 Cb 0.43 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.35 1n52 h LEU 659 CO -0.57 0.21 -0.31 -0.08 -0.34 0.00 0.00 178.44 177.34 1n52 h GLU 660 N 0.40 -0.29 -0.08 1.25 4.57 0.24 0.61 114.58 121.28 1n52 h GLU 660 Ca 0.17 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.36 1n52 h GLU 660 Cb 0.08 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1n52 h GLU 660 CO -0.12 -0.19 0.02 0.93 -1.18 0.00 0.00 179.01 178.47 1n52 h GLU 661 N -0.30 0.13 0.00 1.92 5.08 0.23 -2.36 114.58 119.27 1n52 h GLU 661 Ca 0.14 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1n52 h GLU 661 Cb 0.53 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1n52 h GLU 661 CO -0.45 0.31 -0.08 0.00 -1.00 0.00 0.00 179.01 177.78 1n52 h ALA 662 N 0.82 1.83 0.00 3.43 0.00 0.20 0.17 119.26 125.71 1n52 h ALA 662 Ca 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1n52 h ALA 662 Cb 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1n52 h ALA 662 CO -0.00 0.10 -0.09 0.87 0.00 0.00 0.00 179.25 180.13 1n52 h LYS 663 N 0.00 0.00 -1.05 0.00 1.57 0.44 -3.18 116.57 114.35 1n52 h LYS 663 Ca -0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 1n52 h LYS 663 Cb 0.15 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.31 1n52 h LYS 663 CO 0.01 0.09 0.33 0.39 -0.57 0.00 0.00 179.45 179.71 1n52 n GLU 664 N -3.15 1.63 0.00 3.15 -0.58 0.05 -5.08 120.64 116.66 1n52 n GLU 664 Ca 0.02 -1.48 0.00 0.00 -0.42 0.00 0.00 57.16 55.28 1n52 n GLU 664 Cb 0.48 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 1n52 n GLU 664 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1n52 n LYS 665 N -0.24 0.00 0.00 3.49 5.02 -1.21 -5.04 118.16 120.18 1n52 n LYS 665 Ca 0.29 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1n52 n LYS 665 Cb 1.02 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.03 1n52 n LYS 665 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1n52 n VAL 687 N 0.00 0.00 0.21 -0.18 0.31 -1.26 -5.07 118.33 112.34 1n52 n VAL 687 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 1n52 n VAL 687 Cb 0.00 0.00 0.28 0.00 -0.91 0.00 0.00 33.84 33.21 1n52 n VAL 687 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1n52 h LEU 688 N 0.00 0.00 0.00 7.52 5.85 -2.01 0.51 115.31 127.19 1n52 h LEU 688 Ca 0.00 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.41 1n52 h LEU 688 Cb 0.00 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1n52 h LEU 688 CO 0.00 0.00 -1.69 -0.62 -0.34 0.00 0.00 178.44 175.79 1n52 n GLU 689 N -2.13 0.58 -0.30 1.25 -0.58 -1.26 -3.56 120.64 114.64 1n52 n GLU 689 Ca -0.01 0.47 0.33 0.00 -0.42 0.00 0.00 57.16 57.53 1n52 n GLU 689 Cb 0.53 -1.67 0.72 0.00 -0.57 0.00 0.00 31.44 30.46 1n52 n GLU 689 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1n52 h GLU 690 N -0.95 0.04 0.13 3.49 4.57 -1.34 0.13 114.58 120.64 1n52 h GLU 690 Ca -0.46 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.71 1n52 h GLU 690 Cb 1.43 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.01 1n52 h GLU 690 CO -0.27 0.03 -0.06 0.37 -1.18 0.00 0.00 179.01 177.89 1n52 h GLN 691 N 0.04 -0.17 -0.04 1.92 5.75 -1.62 -2.33 115.11 118.65 1n52 h GLN 691 Ca 0.54 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 59.07 1n52 h GLN 691 Cb 2.10 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 30.68 1n52 h GLN 691 CO -0.04 0.29 0.07 0.82 -2.65 0.00 0.00 178.83 177.33 1n52 h ILE 692 N -0.83 0.29 -0.06 2.39 2.04 -0.91 1.50 117.51 121.92 1n52 h ILE 692 Ca -0.02 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.69 1n52 h ILE 692 Cb 0.54 0.94 0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1n52 h ILE 692 CO 0.03 0.00 -0.56 -0.08 0.00 0.00 0.00 178.15 177.54 1n52 h GLU 693 N 0.00 0.49 -0.17 2.37 4.22 -0.86 -2.55 114.58 118.08 1n52 h GLU 693 Ca 0.02 -0.45 -0.11 0.00 0.08 0.00 0.00 59.36 58.90 1n52 h GLU 693 Cb 0.16 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1n52 h GLU 693 CO -0.00 1.08 -0.34 -0.09 -2.18 0.00 0.00 179.01 177.48 1n52 h ARG 694 N 0.05 0.53 0.00 1.92 2.43 0.24 -2.87 114.38 116.68 1n52 h ARG 694 Ca -0.05 -0.34 -0.02 0.00 -0.81 0.00 0.00 59.98 58.75 1n52 h ARG 694 Cb 1.23 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1n52 h ARG 694 CO 0.11 0.95 -0.11 -0.07 -1.51 0.00 0.00 179.97 179.35 1n52 h LEU 695 N 0.17 0.00 -0.03 3.80 3.38 0.18 -0.95 115.31 121.86 1n52 h LEU 695 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1n52 h LEU 695 Cb 0.94 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1n52 h LEU 695 CO 0.08 0.11 -0.01 -0.61 0.09 0.00 0.00 178.44 178.10 1n52 h GLN 696 N 0.00 0.05 -0.84 1.13 5.75 -1.37 -1.62 115.11 118.23 1n52 h GLN 696 Ca -0.00 -0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.54 1n52 h GLN 696 Cb 0.20 -0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.68 1n52 h GLN 696 CO 0.01 0.43 0.51 0.93 -2.65 0.00 0.00 178.83 178.06 1n52 h GLU 697 N -0.32 0.89 -0.51 1.69 5.08 -1.18 -1.41 114.58 118.82 1n52 h GLU 697 Ca 0.01 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1n52 h GLU 697 Cb 0.41 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1n52 h GLU 697 CO 0.00 0.59 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.32 1n52 h LYS 698 N 0.91 0.89 -0.18 2.33 3.64 -1.09 -1.58 116.57 121.50 1n52 h LYS 698 Ca 0.37 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1n52 h LYS 698 Cb 0.21 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1n52 h LYS 698 CO -0.19 0.92 0.10 0.28 -2.27 0.00 0.00 179.45 178.30 1n52 h VAL 699 N 0.81 1.09 0.08 2.00 2.07 -0.60 0.10 116.25 121.81 1n52 h VAL 699 Ca 0.14 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1n52 h VAL 699 Cb 0.56 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1n52 h VAL 699 CO 0.03 0.09 -0.40 -0.33 0.02 0.00 0.00 177.57 176.98 1n52 h GLU 700 N 0.19 -0.55 -0.37 1.57 4.39 -0.94 0.15 114.58 119.03 1n52 h GLU 700 Ca 0.06 0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.86 1n52 h GLU 700 Cb 0.05 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.78 1n52 h GLU 700 CO -0.01 -0.36 0.05 0.77 -1.16 0.00 0.00 179.01 178.30 1n52 h SER 701 N -0.57 -0.04 0.08 1.42 0.02 -1.21 0.16 113.55 113.40 1n52 h SER 701 Ca -0.00 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1n52 h SER 701 Cb 0.57 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 1n52 h SER 701 CO -0.23 0.02 -0.24 0.00 -1.14 0.00 0.00 176.83 175.24 1n52 h ALA 702 N 1.29 -0.38 -0.85 3.77 0.00 -0.40 0.14 119.26 122.83 1n52 h ALA 702 Ca 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1n52 h ALA 702 Cb 0.22 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1n52 h ALA 702 CO -0.25 -0.76 0.50 1.96 0.00 0.00 0.00 179.25 180.69 1n52 h GLN 703 N -0.42 1.16 -0.24 0.00 4.20 -0.34 -0.58 115.11 118.88 1n52 h GLN 703 Ca 0.04 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1n52 h GLN 703 Cb 0.46 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1n52 h GLN 703 CO -0.16 0.82 0.14 1.03 -0.67 0.00 0.00 178.83 179.98 1n52 h SER 704 N 1.17 0.30 0.34 1.46 0.87 -0.11 -0.40 113.55 117.19 1n52 h SER 704 Ca 0.30 -0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.73 1n52 h SER 704 Cb -0.03 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 1n52 h SER 704 CO -0.06 0.30 -0.25 -0.08 -0.53 0.00 0.00 176.83 176.21 1n52 h GLU 705 N 0.29 0.00 -0.23 2.24 4.81 -0.33 -1.62 114.58 119.73 1n52 h GLU 705 Ca 0.09 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 1n52 h GLU 705 Cb 0.06 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 1n52 h GLU 705 CO -0.01 0.25 -0.17 0.37 -0.73 0.00 0.00 179.01 178.72 1n52 h GLN 706 N 0.00 0.52 -0.78 1.92 4.15 -0.48 -2.24 115.11 118.19 1n52 h GLN 706 Ca -0.00 -0.25 -0.05 0.00 0.77 0.00 0.00 58.65 59.12 1n52 h GLN 706 Cb 0.49 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.15 1n52 h GLN 706 CO 0.03 0.82 0.30 -0.22 -1.93 0.00 0.00 178.83 177.83 1n52 h LYS 707 N 0.22 1.18 -0.35 1.69 3.64 -0.81 -2.49 116.57 119.64 1n52 h LYS 707 Ca 0.04 -0.22 -0.05 0.00 -1.27 0.00 0.00 60.65 59.15 1n52 h LYS 707 Cb 0.69 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1n52 h LYS 707 CO 0.04 0.96 -0.00 -0.97 -2.27 0.00 0.00 179.45 177.21 1n52 h ASN 708 N 1.14 0.51 -0.42 4.20 -1.24 -1.21 -0.06 115.58 118.50 1n52 h ASN 708 Ca 0.26 -0.10 -0.04 0.00 0.71 0.00 0.00 56.30 57.14 1n52 h ASN 708 Cb 0.23 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 1n52 h ASN 708 CO -0.02 0.58 0.12 0.25 -1.29 0.00 0.00 177.43 177.08 1n52 h LEU 709 N 0.52 0.62 -0.59 0.34 5.85 -0.95 0.81 115.31 121.90 1n52 h LEU 709 Ca 0.11 -0.21 -0.14 0.00 0.84 0.00 0.00 57.88 58.48 1n52 h LEU 709 Cb 0.34 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1n52 h LEU 709 CO 0.01 0.67 -0.34 -0.26 -0.34 0.00 0.00 178.44 178.18 1n52 h PHE 710 N 0.54 0.88 -0.18 1.25 -1.00 -1.24 -1.43 116.94 115.77 1n52 h PHE 710 Ca 0.13 -0.24 0.00 0.00 2.81 0.00 0.00 57.97 60.68 1n52 h PHE 710 Cb 0.28 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 1n52 h PHE 710 CO 0.01 0.98 0.11 1.25 -1.61 0.00 0.00 178.31 179.06 1n52 h LEU 711 N 0.63 0.19 -0.10 1.54 5.85 -0.67 -0.54 115.31 122.21 1n52 h LEU 711 Ca 0.06 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1n52 h LEU 711 Cb 0.87 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 1n52 h LEU 711 CO 0.08 0.14 0.00 0.58 -0.34 0.00 0.00 178.44 178.90 1n52 h VAL 712 N 0.23 1.25 -0.64 1.05 2.07 -0.76 -1.04 116.25 118.41 1n52 h VAL 712 Ca 0.07 -0.79 0.11 0.00 0.82 0.00 0.00 66.70 66.91 1n52 h VAL 712 Cb -0.02 1.58 -0.08 0.00 -1.52 0.00 0.00 31.29 31.25 1n52 h VAL 712 CO -0.02 0.22 0.20 0.40 0.02 0.00 0.00 177.57 178.40 1n52 h ILE 713 N -0.10 0.70 -0.33 4.57 2.04 -1.11 0.24 117.51 123.52 1n52 h ILE 713 Ca 0.03 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.70 1n52 h ILE 713 Cb 0.35 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1n52 h ILE 713 CO 0.00 0.07 -0.06 -0.26 0.00 0.00 0.00 178.15 177.90 1n52 h PHE 714 N 0.36 0.69 -0.55 1.37 0.04 -1.00 -1.75 116.94 116.10 1n52 h PHE 714 Ca 0.33 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.96 1n52 h PHE 714 Cb 0.47 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.42 1n52 h PHE 714 CO -0.20 0.78 0.35 1.96 -0.60 0.00 0.00 178.31 180.61 1n52 h GLN 715 N 0.41 0.72 -0.26 1.51 4.20 -0.38 -0.13 115.11 121.18 1n52 h GLN 715 Ca 0.09 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.63 1n52 h GLN 715 Cb 0.54 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1n52 h GLN 715 CO 0.03 0.49 -0.29 0.00 -0.67 0.00 0.00 178.83 178.38 1n52 h ARG 716 N 0.75 0.66 -0.41 1.46 2.47 -0.80 -1.89 114.38 116.62 1n52 h ARG 716 Ca 0.20 -0.36 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 1n52 h ARG 716 Cb -0.07 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.25 1n52 h ARG 716 CO -0.04 0.97 0.26 0.74 0.56 0.00 0.00 179.97 182.46 1n52 h PHE 717 N 0.39 0.53 -0.36 3.04 0.04 -0.70 -1.53 116.94 118.35 1n52 h PHE 717 Ca 0.04 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.84 1n52 h PHE 717 Cb 0.86 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.81 1n52 h PHE 717 CO 0.08 0.36 0.19 0.82 -0.60 0.00 0.00 178.31 179.15 1n52 h ILE 718 N 0.55 1.00 -0.12 -0.55 2.04 -1.00 -0.76 117.51 118.67 1n52 h ILE 718 Ca 0.15 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.89 1n52 h ILE 718 Cb -0.03 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1n52 h ILE 718 CO -0.03 0.07 0.00 -0.03 0.00 0.00 0.00 178.15 178.16 1n52 h MET 719 N 0.39 0.04 0.00 2.37 4.05 -0.97 -0.46 114.93 120.35 1n52 h MET 719 Ca 0.15 -0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.42 1n52 h MET 719 Cb 0.04 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 1n52 h MET 719 CO -0.09 0.03 -0.68 -0.84 0.23 0.00 0.00 176.91 175.56 1n52 h ILE 720 N 0.04 1.43 -0.12 1.77 3.07 -1.16 -2.12 117.51 120.42 1n52 h ILE 720 Ca 0.06 -2.37 -0.22 0.00 1.55 0.00 0.00 64.86 63.88 1n52 h ILE 720 Cb 0.07 2.30 0.01 0.00 -0.27 0.00 0.00 36.82 38.92 1n52 h ILE 720 CO -0.09 0.66 -0.79 -0.07 -1.05 0.00 0.00 178.15 176.81 1n52 h LEU 721 N 0.00 0.83 -0.25 0.16 3.38 -0.99 -2.47 115.31 115.97 1n52 h LEU 721 Ca -0.01 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.38 1n52 h LEU 721 Cb 1.24 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1n52 h LEU 721 CO 0.09 1.34 0.03 0.74 0.09 0.00 0.00 178.44 180.73 1n52 h THR 722 N 0.46 1.24 -0.87 0.22 2.02 -1.08 0.25 112.91 115.15 1n52 h THR 722 Ca -0.05 -0.81 0.15 0.00 0.77 0.00 0.00 66.41 66.47 1n52 h THR 722 Cb 1.41 1.29 -0.10 0.00 -1.74 0.00 0.00 68.15 69.02 1n52 h THR 722 CO 0.16 0.26 0.45 -0.08 0.37 0.00 0.00 175.52 176.68 1n52 h GLU 723 N 0.21 0.61 0.00 6.66 4.81 -1.36 0.28 114.58 125.79 1n52 h GLU 723 Ca 0.07 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1n52 h GLU 723 Cb 0.35 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1n52 h GLU 723 CO 0.01 0.40 -0.00 1.25 -0.73 0.00 0.00 179.01 179.94 1n52 h HIS 724 N 0.63 -0.00 -0.78 0.92 2.76 -1.15 -2.18 115.15 115.34 1n52 h HIS 724 Ca 0.48 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.70 1n52 h HIS 724 Cb 0.69 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.60 1n52 h HIS 724 CO -0.09 0.49 0.48 -0.07 -1.30 0.00 0.00 177.93 177.45 1n52 h LEU 725 N -0.50 0.78 0.64 0.26 3.38 -0.13 -0.91 115.31 118.84 1n52 h LEU 725 Ca -0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1n52 h LEU 725 Cb 0.49 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.09 1n52 h LEU 725 CO 0.00 0.52 -0.31 0.58 0.09 0.00 0.00 178.44 179.32 1n52 h VAL 726 N 0.92 0.13 -0.75 1.22 2.07 -0.53 -0.71 116.25 118.60 1n52 h VAL 726 Ca 0.33 -0.34 0.16 0.00 0.82 0.00 0.00 66.70 67.67 1n52 h VAL 726 Cb 0.10 0.18 -0.14 0.00 -1.52 0.00 0.00 31.29 29.91 1n52 h VAL 726 CO -0.14 0.02 -0.12 -0.09 0.02 0.00 0.00 177.57 177.26 1n52 h ARG 727 N -1.16 0.03 0.01 1.57 2.43 -1.28 -0.70 114.38 115.28 1n52 h ARG 727 Ca -0.09 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1n52 h ARG 727 Cb 0.69 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1n52 h ARG 727 CO 0.15 0.02 -0.00 0.00 -1.51 0.00 0.00 179.97 178.62 1n52 n GLU 729 N -5.03 0.25 -0.06 0.00 0.00 -0.27 -0.79 120.64 114.73 1n52 n GLU 729 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 56.99 1n52 n GLU 729 Cb 0.10 -1.48 -0.05 0.00 0.00 0.00 0.00 31.44 30.00 1n52 n GLU 729 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1n52 n THR 730 N -0.98 0.69 0.39 6.31 -1.04 -0.51 -4.53 114.28 114.61 1n52 n THR 730 Ca 0.06 -0.24 0.05 0.00 -2.04 0.00 0.00 64.05 61.88 1n52 n THR 730 Cb 0.03 -1.09 0.20 0.00 -1.82 0.00 0.00 70.33 67.64 1n52 n THR 730 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1n52 n ASP 731 N -3.01 2.77 -4.23 8.00 10.43 0.04 -4.91 116.55 125.64 1n52 n ASP 731 Ca -0.22 -2.21 -0.35 0.00 2.57 0.00 0.00 54.79 54.57 1n52 n ASP 731 Cb 0.72 -0.41 -0.04 0.00 1.84 0.00 0.00 41.12 43.23 1n52 n ASP 731 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1n52 n GLY 732 N 0.82 -0.39 3.85 0.44 0.00 0.03 -4.93 105.19 105.00 1n52 n GLY 732 Ca 0.14 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 1n52 n GLY 732 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n52 s THR 733 N -3.45 4.60 0.25 2.61 -4.23 -0.90 -5.05 115.64 109.47 1n52 s THR 733 Ca 0.60 -1.31 -0.31 0.00 -1.18 0.00 0.00 61.69 59.49 1n52 s THR 733 Cb -0.33 -3.48 -0.12 0.00 1.34 0.00 0.00 72.50 69.91 1n52 s THR 733 CO 0.94 -0.33 1.66 -0.44 -0.54 0.00 0.00 174.62 175.91 1n52 s SER 734 N -3.83 6.37 0.08 3.99 0.01 -1.26 -4.66 113.70 114.41 1n52 s SER 734 Ca 0.33 2.91 0.02 0.00 1.31 0.00 0.00 55.95 60.52 1n52 s SER 734 Cb -0.08 -2.62 -0.25 0.00 0.21 0.00 0.00 66.02 63.28 1n52 s SER 734 CO 0.26 -0.95 1.14 0.58 0.41 0.00 0.00 173.24 174.68 1n52 h VAL 735 N 3.60 1.51 -0.48 3.43 2.07 -1.96 -3.40 116.25 121.02 1n52 h VAL 735 Ca -0.45 -3.17 -0.69 0.00 0.82 0.00 0.00 66.70 63.21 1n52 h VAL 735 Cb 1.21 2.85 -0.06 0.00 -1.52 0.00 0.00 31.29 33.77 1n52 h VAL 735 CO 0.88 0.90 2.60 0.18 0.02 0.00 0.00 177.57 182.14 1n52 n LEU 736 N -3.41 5.74 -4.90 2.57 4.77 -1.26 -4.70 117.00 115.80 1n52 n LEU 736 Ca -0.06 -4.00 -0.20 0.00 -0.03 0.00 0.00 56.01 51.71 1n52 n LEU 736 Cb 0.99 -1.71 -0.02 0.00 -2.33 0.00 0.00 43.42 40.35 1n52 n LEU 736 CO 0.50 0.54 -0.03 0.42 -1.33 0.00 0.00 177.39 177.48 1n52 s THR 737 N 3.86 3.84 0.25 -5.08 -4.23 -1.26 -4.95 115.64 108.07 1n52 s THR 737 Ca 0.51 -1.23 -0.05 0.00 -1.18 0.00 0.00 61.69 59.75 1n52 s THR 737 Cb 0.08 -3.30 0.25 0.00 1.34 0.00 0.00 72.50 70.87 1n52 s THR 737 CO 0.01 -0.18 1.88 -0.65 -0.54 0.00 0.00 174.62 175.14 1n52 h PRO 738 N 1.13 1.12 -0.21 3.99 0.11 -1.92 0.03 132.00 136.26 1n52 h PRO 738 Ca -0.46 -0.07 0.03 0.00 0.11 0.00 0.00 66.00 65.62 1n52 h PRO 738 Cb 1.25 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 1n52 h PRO 738 CO 0.57 0.74 0.03 2.35 -0.21 0.00 0.00 178.00 181.48 1n52 h TRP 739 N 1.16 0.05 -0.38 0.65 7.01 -1.94 -1.95 115.95 120.54 1n52 h TRP 739 Ca 0.39 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.44 1n52 h TRP 739 Cb 0.07 0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.11 1n52 h TRP 739 CO -0.01 0.01 0.17 -0.92 -2.79 0.00 0.00 178.44 174.90 1n52 h TYR 740 N 0.11 0.31 -0.15 2.65 3.20 -1.53 0.68 116.97 122.24 1n52 h TYR 740 Ca 0.10 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.03 1n52 h TYR 740 Cb 0.10 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.23 1n52 h TYR 740 CO -0.15 0.15 -0.20 -0.22 -1.64 0.00 0.00 178.16 176.10 1n52 h LYS 741 N 0.35 -0.24 0.08 1.82 3.64 -0.55 0.26 116.57 121.93 1n52 h LYS 741 Ca 0.16 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1n52 h LYS 741 Cb 0.10 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1n52 h LYS 741 CO -0.13 -0.16 -0.04 -0.97 -2.27 0.00 0.00 179.45 175.88 1n52 h ASN 742 N -0.25 -0.09 -0.55 4.20 -1.24 -1.09 -1.82 115.58 114.75 1n52 h ASN 742 Ca 0.11 -0.05 0.02 0.00 0.71 0.00 0.00 56.30 57.09 1n52 h ASN 742 Cb 0.41 0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.44 1n52 h ASN 742 CO -0.30 -0.01 0.34 0.00 -1.29 0.00 0.00 177.43 176.18 1n52 h ILE 744 N 0.69 1.29 0.00 0.00 6.09 -0.47 -2.55 117.51 122.55 1n52 h ILE 744 Ca 0.22 -1.49 0.00 0.00 -1.37 0.00 0.00 64.86 62.22 1n52 h ILE 744 Cb -0.01 1.43 0.00 0.00 0.47 0.00 0.00 36.82 38.71 1n52 h ILE 744 CO -0.08 0.48 0.00 -0.33 -3.07 0.00 0.00 178.15 175.15 1n52 h GLU 745 N 0.54 0.00 0.06 2.19 5.08 -1.03 -2.26 114.58 119.18 1n52 h GLU 745 Ca 0.06 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.16 1n52 h GLU 745 Cb 0.85 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.11 1n52 h GLU 745 CO 0.07 0.00 -1.09 0.00 -1.00 0.00 0.00 179.01 176.99 1n52 h ARG 746 N 0.00 0.39 -0.27 2.33 2.47 -0.50 -2.12 114.38 116.68 1n52 h ARG 746 Ca 0.00 -0.51 -0.03 0.00 -1.26 0.00 0.00 59.98 58.18 1n52 h ARG 746 Cb 0.82 0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 29.30 1n52 h ARG 746 CO 0.00 1.18 0.06 1.25 0.56 0.00 0.00 179.97 183.02 1n52 h LEU 747 N 0.18 0.42 -0.90 3.04 5.85 -1.24 -2.48 115.31 120.18 1n52 h LEU 747 Ca -0.11 -0.24 0.11 0.00 0.84 0.00 0.00 57.88 58.47 1n52 h LEU 747 Cb 1.76 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.60 1n52 h LEU 747 CO 0.19 0.55 0.53 -0.61 -0.34 0.00 0.00 178.44 178.77 1n52 h GLN 748 N 0.26 0.83 -0.50 1.25 4.15 -1.41 -1.69 115.11 118.00 1n52 h GLN 748 Ca 0.08 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 1n52 h GLN 748 Cb 0.31 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 1n52 h GLN 748 CO 0.00 0.55 0.15 0.37 -1.93 0.00 0.00 178.83 177.97 1n52 h GLN 749 N 0.85 0.74 -0.55 1.69 4.15 -0.95 -1.17 115.11 119.87 1n52 h GLN 749 Ca 0.45 -0.13 0.07 0.00 0.77 0.00 0.00 58.65 59.81 1n52 h GLN 749 Cb 0.46 -0.12 -0.06 0.00 0.21 0.00 0.00 27.48 27.97 1n52 h GLN 749 CO -0.27 0.65 0.23 0.82 -1.93 0.00 0.00 178.83 178.33 1n52 h ILE 750 N 0.72 0.85 -0.09 2.39 1.08 -0.88 0.53 117.51 122.11 1n52 h ILE 750 Ca 0.17 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1n52 h ILE 750 Cb 0.23 0.38 -0.00 0.00 -3.07 0.00 0.00 36.82 34.35 1n52 h ILE 750 CO -0.01 0.08 0.02 -0.26 -0.69 0.00 0.00 178.15 177.29 1n52 h PHE 751 N 0.43 0.16 0.02 1.37 0.04 -1.33 -2.51 116.94 115.12 1n52 h PHE 751 Ca 0.27 -0.02 0.02 0.00 2.80 0.00 0.00 57.97 61.04 1n52 h PHE 751 Cb 0.27 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 1n52 h PHE 751 CO -0.14 0.33 -0.14 -0.07 -0.60 0.00 0.00 178.31 177.68 1n52 h LEU 752 N -0.06 -0.41 -1.19 1.54 3.38 -0.61 0.22 115.31 118.19 1n52 h LEU 752 Ca 0.03 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1n52 h LEU 752 Cb 0.25 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1n52 h LEU 752 CO 0.00 -0.20 -0.30 1.56 0.09 0.00 0.00 178.44 179.59 1n52 h GLN 753 N -0.25 0.17 0.00 1.13 4.20 -0.96 -3.33 115.11 116.07 1n52 h GLN 753 Ca 0.04 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 1n52 h GLN 753 Cb 0.30 -0.01 -0.15 0.00 0.30 0.00 0.00 27.48 27.92 1n52 h GLN 753 CO -0.12 0.46 -0.68 0.72 -0.67 0.00 0.00 178.83 178.54 1n52 n HIS 754 N -4.13 0.00 -0.28 2.96 8.25 -0.95 -4.84 115.22 116.23 1n52 n HIS 754 Ca -0.01 -1.06 0.20 0.00 -0.26 0.00 0.00 57.72 56.58 1n52 n HIS 754 Cb 0.38 -0.20 0.50 0.00 1.12 0.00 0.00 29.99 31.79 1n52 n HIS 754 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 1n52 h HIS 755 N 0.93 0.62 0.07 4.41 2.07 -0.67 -0.94 115.15 121.65 1n52 h HIS 755 Ca -0.09 0.02 0.01 0.00 -2.85 0.00 0.00 60.37 57.46 1n52 h HIS 755 Cb 1.35 -0.19 -0.01 0.00 2.57 0.00 0.00 27.41 31.13 1n52 h HIS 755 CO 0.49 0.13 -0.09 0.37 -3.07 0.00 0.00 177.93 175.76 1n52 h GLN 756 N 0.43 -0.18 -0.04 5.12 5.75 -1.88 -1.26 115.11 123.05 1n52 h GLN 756 Ca 0.53 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 59.03 1n52 h GLN 756 Cb 1.28 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.87 1n52 h GLN 756 CO -0.23 -0.12 -0.02 0.82 -2.65 0.00 0.00 178.83 176.62 1n52 h ILE 757 N -0.19 1.35 -0.92 2.39 1.08 -1.75 -3.22 117.51 116.26 1n52 h ILE 757 Ca 0.01 -1.08 0.17 0.00 -0.39 0.00 0.00 64.86 63.57 1n52 h ILE 757 Cb 0.19 2.00 -0.08 0.00 -3.07 0.00 0.00 36.82 35.87 1n52 h ILE 757 CO -0.04 0.29 0.59 0.40 -0.69 0.00 0.00 178.15 178.69 1n52 h ILE 758 N -0.34 0.77 -1.12 -0.67 2.04 -1.14 -1.30 117.51 115.76 1n52 h ILE 758 Ca 0.01 -0.22 0.33 0.00 1.00 0.00 0.00 64.86 65.98 1n52 h ILE 758 Cb 0.48 0.08 -0.12 0.00 -0.74 0.00 0.00 36.82 36.53 1n52 h ILE 758 CO 0.01 0.12 0.71 1.56 0.00 0.00 0.00 178.15 180.54 1n52 h GLN 759 N 0.64 0.28 0.00 2.37 4.20 -1.23 0.28 115.11 121.65 1n52 h GLN 759 Ca 0.48 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.17 1n52 h GLN 759 Cb 0.86 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.58 1n52 h GLN 759 CO -0.23 0.19 0.00 1.04 -0.67 0.00 0.00 178.83 179.16 1n52 n GLN 760 N -4.73 0.00 -0.24 1.46 6.02 -0.49 -2.30 117.38 117.09 1n52 n GLN 760 Ca 0.30 0.41 0.06 0.00 -0.01 0.00 0.00 57.00 57.76 1n52 n GLN 760 Cb 1.06 -1.50 0.18 0.00 1.02 0.00 0.00 30.24 31.00 1n52 n GLN 760 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1n52 n TYR 761 N -1.50 0.58 -0.28 1.08 0.53 0.97 -4.77 117.16 113.78 1n52 n TYR 761 Ca 0.01 -0.58 0.07 0.00 -1.02 0.00 0.00 57.90 56.38 1n52 n TYR 761 Cb 0.06 -0.09 0.18 0.00 -1.03 0.00 0.00 39.34 38.46 1n52 n TYR 761 CO 0.00 0.00 0.00 0.52 -1.02 0.00 0.00 176.86 176.36 1n52 h MET 762 N 2.02 0.07 0.03 -0.72 2.86 -1.56 0.22 114.93 117.85 1n52 h MET 762 Ca 0.00 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1n52 h MET 762 Cb 0.89 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.49 1n52 h MET 762 CO 0.05 0.05 -0.29 0.28 1.06 0.00 0.00 176.91 178.06 1n52 h VAL 763 N 0.08 0.36 -0.41 -2.22 2.07 -1.88 0.32 116.25 114.57 1n52 h VAL 763 Ca 0.45 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.95 1n52 h VAL 763 Cb 0.81 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1n52 h VAL 763 CO -0.74 0.00 0.20 0.74 0.02 0.00 0.00 177.57 177.79 1n52 h THR 764 N -0.45 1.17 -0.35 2.57 2.02 -1.59 -2.05 112.91 114.22 1n52 h THR 764 Ca 0.05 -0.50 -0.04 0.00 0.77 0.00 0.00 66.41 66.70 1n52 h THR 764 Cb 0.53 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1n52 h THR 764 CO -0.23 0.19 0.08 -0.07 0.37 0.00 0.00 175.52 175.86 1n52 h LEU 765 N 0.52 0.54 -0.53 2.58 3.38 -0.30 0.87 115.31 122.37 1n52 h LEU 765 Ca 0.14 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 1n52 h LEU 765 Cb 0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1n52 h LEU 765 CO -0.02 0.64 -0.65 -0.08 0.09 0.00 0.00 178.44 178.42 1n52 h GLU 766 N 0.41 0.00 0.00 1.13 4.81 -0.36 -1.81 114.58 118.76 1n52 h GLU 766 Ca 0.11 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 1n52 h GLU 766 Cb 0.32 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1n52 h GLU 766 CO 0.00 0.65 -1.47 0.09 -0.73 0.00 0.00 179.01 177.55 1n52 n ASN 767 N -3.56 3.07 -0.08 1.04 3.02 -0.78 -4.66 115.26 113.31 1n52 n ASN 767 Ca -0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 1n52 n ASN 767 Cb 0.69 1.00 -0.10 0.00 -0.61 0.00 0.00 39.78 40.76 1n52 n ASN 767 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1n52 n LEU 768 N -2.07 1.48 -0.03 3.41 4.77 0.26 -4.86 117.00 119.97 1n52 n LEU 768 Ca -0.08 -0.05 -0.03 0.00 -0.03 0.00 0.00 56.01 55.83 1n52 n LEU 768 Cb 0.52 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1n52 n LEU 768 CO 0.17 0.58 -0.21 0.18 -1.33 0.00 0.00 177.39 176.78 1n52 n LEU 769 N -2.78 0.63 -4.10 2.23 4.77 -0.96 -4.76 117.00 112.04 1n52 n LEU 769 Ca -0.28 0.11 -0.43 0.00 -0.03 0.00 0.00 56.01 55.38 1n52 n LEU 769 Cb 0.90 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1n52 n LEU 769 CO 0.24 -0.44 2.03 0.49 -1.33 0.00 0.00 177.39 178.38 1n52 n PHE 770 N -3.14 3.88 -2.99 -1.77 3.01 -0.68 -4.94 117.46 110.83 1n52 n PHE 770 Ca -0.04 -2.97 -0.18 0.00 1.01 0.00 0.00 57.45 55.26 1n52 n PHE 770 Cb 0.16 -2.30 0.04 0.00 -0.01 0.00 0.00 39.48 37.37 1n52 n PHE 770 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1n52 s THR 771 N 2.13 2.61 0.47 4.37 -4.23 -1.26 -4.75 115.64 114.98 1n52 s THR 771 Ca 0.45 -0.97 0.13 0.00 -1.18 0.00 0.00 61.69 60.12 1n52 s THR 771 Cb 0.07 -2.64 0.24 0.00 1.34 0.00 0.00 72.50 71.51 1n52 s THR 771 CO -0.01 0.00 2.08 0.00 -0.54 0.00 0.00 174.62 176.15 1n52 h ALA 772 N 0.39 1.83 0.00 3.99 0.00 -1.92 -1.57 119.26 121.97 1n52 h ALA 772 Ca -0.36 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1n52 h ALA 772 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1n52 h ALA 772 CO 0.43 0.14 0.00 -0.85 0.00 0.00 0.00 179.25 178.97 1n52 n GLU 773 N -4.46 0.04 -2.65 0.00 0.00 -1.26 -4.68 120.64 107.63 1n52 n GLU 773 Ca -0.01 0.30 -0.33 0.00 0.00 0.00 0.00 57.16 57.12 1n52 n GLU 773 Cb 0.13 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.02 1n52 n GLU 773 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1n52 s LEU 774 N -2.87 3.83 0.38 -1.84 2.96 -0.59 -5.00 118.68 115.55 1n52 s LEU 774 Ca 0.06 1.71 -0.28 0.00 -0.22 0.00 0.00 54.13 55.39 1n52 s LEU 774 Cb 0.06 -4.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.11 1n52 s LEU 774 CO 0.16 -0.52 1.47 -0.62 -1.32 0.00 0.00 176.35 175.53 1n52 s ASP 775 N -2.38 6.36 0.54 3.68 -1.08 -1.26 -4.80 116.67 117.74 1n52 s ASP 775 Ca 0.62 3.02 0.23 0.00 -0.52 0.00 0.00 52.55 55.90 1n52 s ASP 775 Cb -0.11 -2.67 1.44 0.00 -1.46 0.00 0.00 42.92 40.13 1n52 s ASP 775 CO 0.19 -0.86 2.09 1.55 0.52 0.00 0.00 175.17 178.67 1n52 h PRO 776 N 3.01 0.00 -0.16 4.34 0.13 -1.94 -1.10 132.00 136.28 1n52 h PRO 776 Ca -0.51 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 1n52 h PRO 776 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1n52 h PRO 776 CO 0.64 0.00 -0.05 0.45 -0.23 0.00 0.00 178.00 178.81 1n52 h HIS 777 N 0.00 0.24 0.12 1.56 3.86 -2.00 0.11 115.15 119.03 1n52 h HIS 777 Ca 0.11 -0.02 -0.27 0.00 -1.16 0.00 0.00 60.37 59.03 1n52 h HIS 777 Cb 0.47 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.86 1n52 h HIS 777 CO 0.00 0.30 -1.39 0.82 0.86 0.00 0.00 177.93 178.52 1n52 h ILE 778 N 0.23 1.06 -0.74 2.45 2.04 -1.59 -3.35 117.51 117.60 1n52 h ILE 778 Ca 0.05 -2.41 0.05 0.00 1.00 0.00 0.00 64.86 63.55 1n52 h ILE 778 Cb 0.25 2.74 -0.05 0.00 -0.74 0.00 0.00 36.82 39.02 1n52 h ILE 778 CO 0.01 0.71 0.45 -0.07 0.00 0.00 0.00 178.15 179.25 1n52 h LEU 779 N -0.29 0.72 -0.82 1.44 3.38 -1.20 -1.99 115.31 116.54 1n52 h LEU 779 Ca -0.30 0.01 0.19 0.00 0.09 0.00 0.00 57.88 57.88 1n52 h LEU 779 Cb 1.76 -0.14 -0.15 0.00 0.09 0.00 0.00 40.66 42.23 1n52 h LEU 779 CO 0.07 0.48 -0.03 0.00 0.09 0.00 0.00 178.44 179.04 1n52 h ALA 780 N 1.34 0.81 -0.74 1.53 0.00 -0.92 0.35 119.26 121.64 1n52 h ALA 780 Ca 0.31 0.28 0.03 0.00 0.00 0.00 0.00 54.91 55.53 1n52 h ALA 780 Cb 0.10 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1n52 h ALA 780 CO -0.15 -0.45 0.47 0.28 0.00 0.00 0.00 179.25 179.41 1n52 h VAL 781 N 0.06 1.12 0.06 0.00 2.07 -1.50 -0.35 116.25 117.72 1n52 h VAL 781 Ca 0.45 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 1n52 h VAL 781 Cb 0.80 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1n52 h VAL 781 CO -0.76 0.17 -0.03 0.15 0.02 0.00 0.00 177.57 177.12 1n52 h PHE 782 N 0.93 -0.08 -0.47 1.57 3.57 -0.41 -2.56 116.94 119.50 1n52 h PHE 782 Ca 0.29 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.79 1n52 h PHE 782 Cb -0.01 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1n52 h PHE 782 CO -0.03 0.11 0.31 1.96 -2.23 0.00 0.00 178.31 178.42 1n52 h GLN 783 N -0.25 0.61 -0.49 1.11 4.20 -0.67 -0.91 115.11 118.71 1n52 h GLN 783 Ca -0.01 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1n52 h GLN 783 Cb 0.22 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1n52 h GLN 783 CO 0.01 0.40 0.21 1.96 -0.67 0.00 0.00 178.83 180.75 1n52 h GLN 784 N 0.63 0.72 -0.42 1.46 4.20 -0.94 -1.85 115.11 118.90 1n52 h GLN 784 Ca 0.17 -0.12 0.02 0.00 0.06 0.00 0.00 58.65 58.78 1n52 h GLN 784 Cb -0.07 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 1n52 h GLN 784 CO -0.04 0.63 0.25 0.35 -0.67 0.00 0.00 178.83 179.35 1n52 h PHE 785 N 0.64 0.47 -0.20 2.96 3.57 -0.83 -2.13 116.94 121.43 1n52 h PHE 785 Ca 0.16 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 1n52 h PHE 785 Cb 0.17 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1n52 h PHE 785 CO 0.00 0.28 0.01 0.00 -2.23 0.00 0.00 178.31 176.36 1n52 n ALA 787 N -2.50 1.54 0.17 0.00 0.00 -0.72 -2.61 120.51 116.39 1n52 n ALA 787 Ca -0.00 0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.46 1n52 n ALA 787 Cb 0.18 -1.26 0.29 0.00 0.00 0.00 0.00 19.45 18.65 1n52 n ALA 787 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1n52 h LEU 788 N 0.00 0.00 -4.72 0.00 3.38 -1.27 -3.20 115.31 109.50 1n52 h LEU 788 Ca 0.00 -0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.54 1n52 h LEU 788 Cb 0.24 -0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.58 1n52 h LEU 788 CO 0.00 0.47 -0.98 0.00 0.09 0.00 0.00 178.44 178.01 1n52 n GLN 789 N -3.99 2.40 0.00 1.13 1.13 -1.07 -4.41 117.38 112.56 1n52 n GLN 789 Ca -0.02 -3.82 0.05 0.00 -1.94 0.00 0.00 57.00 51.27 1n52 n GLN 789 Cb 0.49 -1.81 0.04 0.00 0.11 0.00 0.00 30.24 29.06 1n52 n GLN 789 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62