#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r42 s THR 20 N 0.00 4.75 0.00 2.46 2.01 -1.26 -4.93 115.64 118.67 1r42 s THR 20 Ca 0.00 1.19 0.00 0.00 0.31 0.00 0.00 61.69 63.19 1r42 s THR 20 Cb 0.00 -3.88 0.00 0.00 0.01 0.00 0.00 72.50 68.63 1r42 s THR 20 CO 0.00 0.53 0.53 2.30 -0.69 0.00 0.00 174.62 177.29 1r42 n ILE 21 N 1.64 0.53 0.00 1.82 -0.00 -1.26 -1.14 119.36 120.95 1r42 n ILE 21 Ca -0.10 -0.10 0.00 0.00 -0.00 0.00 0.00 62.75 62.55 1r42 n ILE 21 Cb 0.51 -0.97 0.00 0.00 -0.00 0.00 0.00 39.64 39.18 1r42 n ILE 21 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 1r42 n GLU 22 N 1.44 0.00 0.20 6.28 4.07 -1.26 -4.51 120.64 126.86 1r42 n GLU 22 Ca 0.00 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.19 1r42 n GLU 22 Cb 0.17 -0.17 0.24 0.00 -0.06 0.00 0.00 31.44 31.62 1r42 n GLU 22 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1r42 h GLU 23 N 0.00 0.00 0.00 5.31 4.57 -1.53 0.61 114.58 123.54 1r42 h GLU 23 Ca 0.00 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.96 1r42 h GLU 23 Cb 0.28 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 1r42 h GLU 23 CO 0.00 0.19 -1.31 -0.56 -1.18 0.00 0.00 179.01 176.15 1r42 h GLN 24 N 0.00 0.00 -0.27 1.92 3.07 -1.52 -2.48 115.11 115.84 1r42 h GLN 24 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.60 1r42 h GLN 24 Cb 1.01 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.56 1r42 h GLN 24 CO 0.02 0.57 -0.39 0.00 0.09 0.00 0.00 178.83 179.12 1r42 h ALA 25 N 1.16 0.82 -0.05 0.06 0.00 -1.71 0.25 119.26 119.79 1r42 h ALA 25 Ca -0.15 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.24 1r42 h ALA 25 Cb 1.77 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1r42 h ALA 25 CO 0.08 0.65 -0.34 0.87 0.00 0.00 0.00 179.25 180.51 1r42 h LYS 26 N 0.52 0.10 0.11 0.00 1.57 -0.85 -0.18 116.57 117.84 1r42 h LYS 26 Ca 0.05 -0.04 -0.27 0.00 -1.87 0.00 0.00 60.65 58.52 1r42 h LYS 26 Cb 0.90 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1r42 h LYS 26 CO 0.08 0.44 -1.21 1.79 -0.57 0.00 0.00 179.45 179.97 1r42 h THR 27 N 0.09 1.52 -0.09 -0.16 1.35 -0.85 -1.96 112.91 112.81 1r42 h THR 27 Ca 0.01 -3.07 -0.00 0.00 -0.55 0.00 0.00 66.41 62.80 1r42 h THR 27 Cb 0.65 2.92 -0.00 0.00 -1.73 0.00 0.00 68.15 69.98 1r42 h THR 27 CO 0.05 0.90 0.05 0.15 -0.25 0.00 0.00 175.52 176.42 1r42 h PHE 28 N 0.07 0.12 -0.75 4.73 3.04 -0.18 -1.68 116.94 122.29 1r42 h PHE 28 Ca -0.12 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.82 1r42 h PHE 28 Cb 1.94 -0.04 -0.04 0.00 2.56 0.00 0.00 35.95 40.38 1r42 h PHE 28 CO 0.06 0.11 0.44 -0.07 -2.02 0.00 0.00 178.31 176.84 1r42 h LEU 29 N 0.09 0.90 -0.80 0.59 4.07 -1.06 -1.42 115.31 117.68 1r42 h LEU 29 Ca 0.03 -0.07 -0.00 0.00 0.08 0.00 0.00 57.88 57.92 1r42 h LEU 29 Cb 0.03 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.50 1r42 h LEU 29 CO -0.01 0.71 0.48 -0.78 -1.08 0.00 0.00 178.44 177.76 1r42 h ASP 30 N 1.02 0.96 -0.52 -0.43 3.58 -1.09 -1.13 116.42 118.81 1r42 h ASP 30 Ca 0.27 -0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.61 1r42 h ASP 30 Cb -0.02 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.76 1r42 h ASP 30 CO -0.05 0.74 0.17 0.11 -2.88 0.00 0.00 179.24 177.33 1r42 h LYS 31 N 1.10 0.81 0.09 0.28 1.57 -0.83 -3.07 116.57 116.52 1r42 h LYS 31 Ca 0.29 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1r42 h LYS 31 Cb -0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1r42 h LYS 31 CO -0.05 0.75 -0.17 0.35 -0.57 0.00 0.00 179.45 179.75 1r42 h PHE 32 N 0.72 -0.45 -0.78 -1.35 3.04 -0.78 -1.49 116.94 115.85 1r42 h PHE 32 Ca 0.17 0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.23 1r42 h PHE 32 Cb 0.27 0.19 -0.07 0.00 2.56 0.00 0.00 35.95 38.90 1r42 h PHE 32 CO 0.02 -0.26 0.42 -0.91 -2.02 0.00 0.00 178.31 175.55 1r42 h ASN 33 N -0.33 0.56 -0.13 0.41 -0.26 -1.20 1.19 115.58 115.82 1r42 h ASN 33 Ca 0.03 0.06 -0.09 0.00 -0.56 0.00 0.00 56.30 55.73 1r42 h ASN 33 Cb 0.36 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 1r42 h ASN 33 CO -0.10 0.31 -0.28 0.45 -1.06 0.00 0.00 177.43 176.74 1r42 h HIS 34 N 0.69 0.54 -0.13 1.19 3.86 -1.44 0.35 115.15 120.20 1r42 h HIS 34 Ca 0.38 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 1r42 h HIS 34 Cb 0.40 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 1r42 h HIS 34 CO -0.09 0.90 0.02 0.93 0.86 0.00 0.00 177.93 180.56 1r42 h GLU 35 N 0.01 0.21 -0.40 2.45 5.08 -0.80 -2.96 114.58 118.16 1r42 h GLU 35 Ca 0.00 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1r42 h GLU 35 Cb 0.88 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1r42 h GLU 35 CO 0.06 0.40 0.25 0.00 -1.00 0.00 0.00 179.01 178.72 1r42 h ALA 36 N 0.81 0.51 -1.00 3.43 0.00 0.14 -1.59 119.26 121.56 1r42 h ALA 36 Ca 0.04 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1r42 h ALA 36 Cb 0.29 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 1r42 h ALA 36 CO 0.00 -0.07 0.63 1.49 0.00 0.00 0.00 179.25 181.30 1r42 h GLU 37 N 0.50 1.03 -0.10 0.00 4.57 -0.93 0.73 114.58 120.39 1r42 h GLU 37 Ca 0.16 -0.06 -0.12 0.00 -1.18 0.00 0.00 59.36 58.15 1r42 h GLU 37 Cb -0.02 -0.23 0.01 0.00 -0.16 0.00 0.00 28.75 28.35 1r42 h GLU 37 CO -0.06 0.68 -0.42 0.22 -1.18 0.00 0.00 179.01 178.25 1r42 h ASP 38 N 1.06 0.55 0.43 1.04 3.58 -1.26 -2.30 116.42 119.52 1r42 h ASP 38 Ca 0.47 -0.63 -0.11 0.00 0.42 0.00 0.00 57.03 57.18 1r42 h ASP 38 Cb 0.37 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1r42 h ASP 38 CO -0.23 1.09 -0.49 -0.07 -2.88 0.00 0.00 179.24 176.66 1r42 h LEU 39 N 0.04 0.08 -0.52 2.28 3.38 -1.01 -1.90 115.31 117.66 1r42 h LEU 39 Ca -0.02 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 1r42 h LEU 39 Cb 1.07 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1r42 h LEU 39 CO 0.09 0.56 -0.68 0.15 0.09 0.00 0.00 178.44 178.65 1r42 h PHE 40 N 0.06 0.39 -0.45 1.13 3.57 -0.90 -1.77 116.94 118.96 1r42 h PHE 40 Ca -0.00 -0.16 -0.12 0.00 3.53 0.00 0.00 57.97 61.22 1r42 h PHE 40 Cb 0.89 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 1r42 h PHE 40 CO 0.01 0.88 -0.19 -0.92 -2.23 0.00 0.00 178.31 175.86 1r42 h TYR 41 N 0.20 1.05 -0.30 0.41 3.20 -1.08 0.14 116.97 120.60 1r42 h TYR 41 Ca -0.02 -0.25 -0.04 0.00 3.14 0.00 0.00 58.73 61.56 1r42 h TYR 41 Cb 1.22 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 1r42 h TYR 41 CO 0.03 1.05 0.05 1.96 -1.64 0.00 0.00 178.16 179.60 1r42 h GLN 42 N 0.76 0.49 -0.63 1.82 4.20 -1.28 -1.18 115.11 119.29 1r42 h GLN 42 Ca 0.10 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 1r42 h GLN 42 Cb 0.75 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 1r42 h GLN 42 CO 0.06 0.60 0.15 1.03 -0.67 0.00 0.00 178.83 180.00 1r42 h SER 43 N 0.32 0.93 -0.05 1.46 0.87 -1.25 -1.85 113.55 113.97 1r42 h SER 43 Ca 0.09 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 1r42 h SER 43 Cb 0.34 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1r42 h SER 43 CO 0.01 0.90 0.00 0.28 -0.53 0.00 0.00 176.83 177.49 1r42 h SER 44 N 0.94 0.09 -0.83 6.23 0.02 -0.54 -2.32 113.55 117.15 1r42 h SER 44 Ca 0.20 -0.30 0.07 0.00 -0.84 0.00 0.00 61.79 60.92 1r42 h SER 44 Cb 0.33 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.79 1r42 h SER 44 CO 0.00 0.37 0.50 -0.07 -1.14 0.00 0.00 176.83 176.49 1r42 h LEU 45 N -0.19 0.77 -0.38 5.07 3.38 -1.13 0.42 115.31 123.25 1r42 h LEU 45 Ca 0.02 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1r42 h LEU 45 Cb 0.32 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1r42 h LEU 45 CO 0.00 0.49 0.20 0.00 0.09 0.00 0.00 178.44 179.22 1r42 h ALA 46 N 1.40 0.49 -0.19 1.53 0.00 -1.29 -1.88 119.26 119.32 1r42 h ALA 46 Ca 0.37 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1r42 h ALA 46 Cb 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1r42 h ALA 46 CO -0.19 0.02 -0.20 0.77 0.00 0.00 0.00 179.25 179.66 1r42 h SER 47 N 0.49 0.32 -0.05 0.00 0.02 -0.80 -2.58 113.55 110.94 1r42 h SER 47 Ca 0.13 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 1r42 h SER 47 Cb 0.07 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1r42 h SER 47 CO -0.02 0.53 -0.28 -0.25 -1.14 0.00 0.00 176.83 175.67 1r42 h TRP 48 N 0.30 0.57 -0.23 3.45 2.91 -0.55 -2.00 115.95 120.39 1r42 h TRP 48 Ca 0.05 -0.13 -0.02 0.00 1.13 0.00 0.00 58.89 59.92 1r42 h TRP 48 Cb 0.52 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.03 1r42 h TRP 48 CO 0.01 0.74 0.06 -0.91 -1.03 0.00 0.00 178.44 177.31 1r42 h ASN 49 N 0.44 0.35 -0.00 2.65 -0.26 -0.97 -2.21 115.58 115.58 1r42 h ASN 49 Ca 0.06 -0.22 -0.07 0.00 -0.56 0.00 0.00 56.30 55.51 1r42 h ASN 49 Cb 0.72 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.88 1r42 h ASN 49 CO 0.06 0.48 -0.18 0.22 -1.06 0.00 0.00 177.43 176.95 1r42 h TYR 50 N 0.20 0.37 -0.00 1.19 3.20 -1.34 0.22 116.97 120.81 1r42 h TYR 50 Ca 0.07 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1r42 h TYR 50 Cb 0.27 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1r42 h TYR 50 CO 0.01 0.52 -0.25 0.09 -1.64 0.00 0.00 178.16 176.89 1r42 n ASN 51 N -4.20 0.35 -0.01 -2.11 4.13 -0.77 -2.59 115.26 110.07 1r42 n ASN 51 Ca -0.00 -0.09 0.05 0.00 1.68 0.00 0.00 54.58 56.22 1r42 n ASN 51 Cb 0.33 -0.07 -0.09 0.00 -1.54 0.00 0.00 39.78 38.41 1r42 n ASN 51 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1r42 n THR 52 N -1.36 0.05 -3.07 3.41 -2.24 -0.84 -2.61 114.28 107.62 1r42 n THR 52 Ca 0.08 -0.28 -0.16 0.00 -2.27 0.00 0.00 64.05 61.42 1r42 n THR 52 Cb 0.33 0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.69 1r42 n THR 52 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1r42 n ASN 53 N -1.94 -1.71 -4.57 3.42 4.05 0.75 -4.65 115.26 110.62 1r42 n ASN 53 Ca -0.03 -2.72 -0.47 0.00 0.45 0.00 0.00 54.58 51.81 1r42 n ASN 53 Cb 0.34 0.52 -0.05 0.00 1.23 0.00 0.00 39.78 41.82 1r42 n ASN 53 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 1r42 n ILE 54 N 2.51 0.36 -4.27 -1.44 5.41 -0.20 -4.42 119.36 117.30 1r42 n ILE 54 Ca 0.22 -0.30 -0.15 0.00 1.00 0.00 0.00 62.75 63.52 1r42 n ILE 54 Cb 0.53 -2.10 -0.10 0.00 -0.71 0.00 0.00 39.64 37.26 1r42 n ILE 54 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1r42 s THR 55 N 6.92 0.60 0.08 1.39 2.01 -1.26 -4.77 115.64 120.61 1r42 s THR 55 Ca 1.02 -1.99 -0.06 0.00 0.31 0.00 0.00 61.69 60.97 1r42 s THR 55 Cb -0.59 -2.37 -0.27 0.00 0.01 0.00 0.00 72.50 69.28 1r42 s THR 55 CO 0.44 -0.24 1.17 -0.08 -0.69 0.00 0.00 174.62 175.22 1r42 h GLU 56 N 2.55 0.34 0.00 4.92 4.57 -2.00 -2.87 114.58 122.10 1r42 h GLU 56 Ca -0.37 -0.52 -0.08 0.00 -1.18 0.00 0.00 59.36 57.22 1r42 h GLU 56 Cb 1.23 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.99 1r42 h GLU 56 CO 0.61 1.22 -0.66 1.05 -1.18 0.00 0.00 179.01 180.06 1r42 h GLU 57 N 0.13 0.00 0.00 1.92 9.09 -1.97 -2.92 114.58 120.82 1r42 h GLU 57 Ca -0.13 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.22 1r42 h GLU 57 Cb 1.89 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.98 1r42 h GLU 57 CO 0.20 0.26 -0.25 -0.91 0.05 0.00 0.00 179.01 178.36 1r42 h ASN 58 N 0.00 0.00 0.83 3.06 -0.26 -1.90 0.27 115.58 117.59 1r42 h ASN 58 Ca -0.04 0.00 -0.24 0.00 -0.56 0.00 0.00 56.30 55.47 1r42 h ASN 58 Cb 1.27 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.50 1r42 h ASN 58 CO 0.04 0.25 -1.19 1.62 -1.06 0.00 0.00 177.43 177.09 1r42 h VAL 59 N 0.00 1.50 0.32 2.81 3.04 -1.51 -2.86 116.25 119.55 1r42 h VAL 59 Ca -0.00 -3.22 -0.02 0.00 -1.01 0.00 0.00 66.70 62.46 1r42 h VAL 59 Cb 0.93 2.78 0.00 0.00 -2.01 0.00 0.00 31.29 32.99 1r42 h VAL 59 CO 0.03 0.87 -0.16 -0.61 -1.01 0.00 0.00 177.57 176.70 1r42 h GLN 60 N 0.01 -0.42 -0.87 4.17 5.75 -1.24 -0.73 115.11 121.79 1r42 h GLN 60 Ca -0.09 0.03 0.12 0.00 -0.15 0.00 0.00 58.65 58.56 1r42 h GLN 60 Cb 1.85 0.10 -0.08 0.00 1.07 0.00 0.00 27.48 30.41 1r42 h GLN 60 CO 0.13 -0.09 0.49 -0.91 -2.65 0.00 0.00 178.83 175.79 1r42 h ASN 61 N -0.81 0.65 0.21 -0.69 -0.26 -0.57 -1.92 115.58 112.19 1r42 h ASN 61 Ca -0.04 0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.75 1r42 h ASN 61 Cb 0.52 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.73 1r42 h ASN 61 CO 0.07 0.33 -0.10 -0.03 -1.06 0.00 0.00 177.43 176.64 1r42 h MET 62 N 0.75 -0.27 -0.71 0.81 4.05 -1.45 -0.80 114.93 117.31 1r42 h MET 62 Ca 0.45 0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.96 1r42 h MET 62 Cb 0.53 0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.34 1r42 h MET 62 CO -0.30 0.07 0.47 -2.95 0.23 0.00 0.00 176.91 174.42 1r42 h ASN 63 N -0.64 0.62 -0.08 1.39 7.08 -0.89 0.22 115.58 123.27 1r42 h ASN 63 Ca -0.03 0.01 -0.21 0.00 -3.08 0.00 0.00 56.30 52.99 1r42 h ASN 63 Cb 0.46 -0.13 0.01 0.00 -2.08 0.00 0.00 38.32 36.59 1r42 h ASN 63 CO 0.05 0.40 -0.76 0.78 -2.08 0.00 0.00 177.43 175.82 1r42 h ASN 64 N 0.71 0.81 0.21 6.14 2.35 -1.33 -1.51 115.58 122.95 1r42 h ASN 64 Ca 0.31 -0.68 -0.07 0.00 -0.55 0.00 0.00 56.30 55.32 1r42 h ASN 64 Cb 0.30 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1r42 h ASN 64 CO -0.10 1.37 -0.27 0.00 -1.65 0.00 0.00 177.43 176.77 1r42 h ALA 65 N 0.46 1.42 -0.16 -0.83 0.00 -0.49 -2.11 119.26 117.55 1r42 h ALA 65 Ca -0.07 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.35 1r42 h ALA 65 Cb 1.41 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1r42 h ALA 65 CO 0.15 0.41 -0.72 0.78 0.00 0.00 0.00 179.25 179.88 1r42 h GLY 66 N 0.93 0.79 2.00 0.00 0.00 -0.50 -2.93 103.07 103.36 1r42 h GLY 66 Ca 0.02 -1.07 -0.02 0.00 0.00 0.00 0.00 47.33 46.25 1r42 h GLY 66 CO 0.04 0.96 -0.12 -0.55 0.00 0.00 0.00 176.54 176.87 1r42 h ASP 67 N 0.51 0.00 0.35 0.19 5.19 -0.93 -1.97 116.42 119.76 1r42 h ASP 67 Ca -0.03 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.15 1r42 h ASP 67 Cb 1.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.84 1r42 h ASP 67 CO 0.14 0.12 -0.96 0.50 -3.12 0.00 0.00 179.24 175.92 1r42 h LYS 68 N 0.00 0.40 -0.28 3.56 3.64 -1.36 -2.55 116.57 120.00 1r42 h LYS 68 Ca -0.00 -0.44 -0.11 0.00 -1.27 0.00 0.00 60.65 58.82 1r42 h LYS 68 Cb 0.68 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1r42 h LYS 68 CO 0.02 1.11 -0.26 2.35 -2.27 0.00 0.00 179.45 180.40 1r42 h TRP 69 N 0.22 0.79 -0.56 1.91 2.91 -1.27 -2.25 115.95 117.71 1r42 h TRP 69 Ca -0.08 -0.24 -0.08 0.00 1.13 0.00 0.00 58.89 59.62 1r42 h TRP 69 Cb 1.60 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 30.06 1r42 h TRP 69 CO 0.06 0.96 0.03 0.77 -1.03 0.00 0.00 178.44 179.24 1r42 h SER 70 N 0.40 0.89 0.48 2.65 0.02 -1.41 -0.74 113.55 115.84 1r42 h SER 70 Ca 0.05 -0.22 -0.12 0.00 -0.84 0.00 0.00 61.79 60.66 1r42 h SER 70 Cb 0.82 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1r42 h SER 70 CO 0.07 0.93 -0.53 0.00 -1.14 0.00 0.00 176.83 176.16 1r42 h ALA 71 N 1.17 1.08 -0.14 3.77 0.00 -1.45 -2.12 119.26 121.56 1r42 h ALA 71 Ca 0.17 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1r42 h ALA 71 Cb 0.46 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1r42 h ALA 71 CO 0.02 0.67 -0.24 0.35 0.00 0.00 0.00 179.25 180.05 1r42 h PHE 72 N 0.05 0.51 0.00 0.00 3.57 -1.01 -2.41 116.94 117.64 1r42 h PHE 72 Ca -0.00 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 1r42 h PHE 72 Cb 0.96 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 1r42 h PHE 72 CO 0.00 0.86 -0.05 1.25 -2.23 0.00 0.00 178.31 178.14 1r42 h LEU 73 N 0.01 0.00 0.24 0.59 5.85 -1.00 -0.10 115.31 120.90 1r42 h LEU 73 Ca 0.01 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.39 1r42 h LEU 73 Cb 0.82 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.88 1r42 h LEU 73 CO 0.05 0.05 -1.54 0.50 -0.34 0.00 0.00 178.44 177.17 1r42 h LYS 74 N 0.00 0.50 -0.42 1.25 3.64 -1.35 -1.81 116.57 118.38 1r42 h LYS 74 Ca -0.00 -0.85 -0.13 0.00 -1.27 0.00 0.00 60.65 58.40 1r42 h LYS 74 Cb 0.09 0.32 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1r42 h LYS 74 CO 0.01 1.41 -0.24 1.49 -2.27 0.00 0.00 179.45 179.84 1r42 h GLU 75 N 0.14 0.87 -0.12 1.90 4.81 -1.01 -1.63 114.58 119.54 1r42 h GLU 75 Ca -0.27 -0.37 -0.11 0.00 -0.13 0.00 0.00 59.36 58.48 1r42 h GLU 75 Cb 2.15 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.49 1r42 h GLU 75 CO 0.25 1.01 -0.42 1.96 -0.73 0.00 0.00 179.01 181.09 1r42 h GLN 76 N 0.75 0.26 -0.03 1.92 1.08 -1.09 -2.77 115.11 115.23 1r42 h GLN 76 Ca 0.10 -0.13 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1r42 h GLN 76 Cb 0.79 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 1r42 h GLN 76 CO 0.07 0.64 -0.06 1.03 -0.95 0.00 0.00 178.83 179.55 1r42 h SER 77 N 0.22 0.11 -0.12 1.46 0.87 -1.15 -2.47 113.55 112.47 1r42 h SER 77 Ca 0.02 -0.57 -0.06 0.00 -1.23 0.00 0.00 61.79 59.95 1r42 h SER 77 Cb 0.83 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.73 1r42 h SER 77 CO 0.07 0.66 0.07 0.35 -0.53 0.00 0.00 176.83 177.45 1r42 n THR 78 N -4.72 1.21 0.00 2.23 -2.24 -0.63 -2.16 114.28 107.96 1r42 n THR 78 Ca -0.08 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1r42 n THR 78 Cb 0.33 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 1r42 n THR 78 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1r42 n LEU 79 N 0.28 0.00 0.05 3.22 7.94 -1.05 -4.73 117.00 122.72 1r42 n LEU 79 Ca 0.07 -0.05 0.11 0.00 -1.11 0.00 0.00 56.01 55.03 1r42 n LEU 79 Cb 0.62 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.56 1r42 n LEU 79 CO 0.07 0.00 -0.13 0.00 -1.11 0.00 0.00 177.39 176.23 1r42 n ALA 80 N -0.18 2.91 -0.35 1.96 0.00 -0.92 -4.04 120.51 119.90 1r42 n ALA 80 Ca 0.00 -0.35 0.08 0.00 0.00 0.00 0.00 53.44 53.17 1r42 n ALA 80 Cb 0.00 -0.99 0.25 0.00 0.00 0.00 0.00 19.45 18.71 1r42 n ALA 80 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1r42 h GLN 81 N 0.00 0.85 -1.31 0.00 1.08 -1.83 -1.99 115.11 111.90 1r42 h GLN 81 Ca 0.00 -0.05 0.45 0.00 -1.45 0.00 0.00 58.65 57.60 1r42 h GLN 81 Cb 0.89 -0.19 -0.13 0.00 -0.05 0.00 0.00 27.48 28.01 1r42 h GLN 81 CO 0.00 0.56 0.85 -0.12 -0.95 0.00 0.00 178.83 179.17 1r42 n MET 82 N -4.70 -0.03 -3.01 1.46 1.56 -1.26 -4.06 117.12 107.09 1r42 n MET 82 Ca 0.19 1.15 -0.44 0.00 -0.27 0.00 0.00 57.70 58.34 1r42 n MET 82 Cb 0.42 -2.29 -0.04 0.00 2.15 0.00 0.00 33.22 33.45 1r42 n MET 82 CO 0.00 0.00 0.00 0.71 -0.73 0.00 0.00 175.97 175.95 1r42 s TYR 83 N -5.10 2.88 -0.44 1.12 1.51 -0.75 -5.00 117.35 111.57 1r42 s TYR 83 Ca -0.07 -0.82 -0.42 0.00 -1.01 0.00 0.00 57.07 54.75 1r42 s TYR 83 Cb 0.28 -4.13 -0.17 0.00 -0.11 0.00 0.00 41.96 37.83 1r42 s TYR 83 CO 0.76 -1.44 2.03 -2.30 -1.11 0.00 0.00 175.55 173.50 1r42 n PRO 84 N 6.86 0.35 -0.28 -1.71 -0.02 -1.26 -4.83 135.00 134.12 1r42 n PRO 84 Ca -0.06 0.11 0.11 0.00 -2.02 0.00 0.00 63.50 61.63 1r42 n PRO 84 Cb 0.44 -1.77 0.35 0.00 -0.02 0.00 0.00 33.50 32.50 1r42 n PRO 84 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 1r42 h LEU 85 N 8.99 0.70 -0.49 2.45 -0.00 -1.94 -1.57 115.31 123.45 1r42 h LEU 85 Ca -0.22 0.04 -0.17 0.00 -0.00 0.00 0.00 57.88 57.53 1r42 h LEU 85 Cb 1.38 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.93 1r42 h LEU 85 CO 1.05 0.37 -0.61 -0.61 -0.00 0.00 0.00 178.44 178.63 1r42 h GLN 86 N 0.75 0.49 0.00 0.17 4.15 -2.01 -2.63 115.11 116.03 1r42 h GLN 86 Ca 0.45 -0.34 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1r42 h GLN 86 Cb 0.64 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.39 1r42 h GLN 86 CO -0.21 0.95 0.00 0.39 -1.93 0.00 0.00 178.83 178.04 1r42 n GLU 87 N -3.92 0.46 -3.77 1.69 4.71 -0.60 -4.73 120.64 114.48 1r42 n GLU 87 Ca -0.04 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.77 1r42 n GLU 87 Cb 0.64 -1.30 -0.05 0.00 -1.01 0.00 0.00 31.44 29.71 1r42 n GLU 87 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1r42 s ILE 88 N -2.00 5.32 0.02 -3.67 -1.09 -0.99 -4.80 121.20 113.98 1r42 s ILE 88 Ca 0.13 0.14 -0.03 0.00 -2.23 0.00 0.00 60.65 58.67 1r42 s ILE 88 Cb 0.06 -3.56 -0.01 0.00 -1.58 0.00 0.00 42.46 37.37 1r42 s ILE 88 CO 0.10 0.36 -0.05 1.67 -1.23 0.00 0.00 174.94 175.79 1r42 n GLN 89 N 1.11 0.09 -1.55 2.79 7.27 -1.26 -4.95 117.38 120.87 1r42 n GLN 89 Ca -0.11 0.04 -0.18 0.00 0.07 0.00 0.00 57.00 56.81 1r42 n GLN 89 Cb 0.53 -0.65 -0.08 0.00 2.41 0.00 0.00 30.24 32.45 1r42 n GLN 89 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1r42 n ASN 90 N -3.48 1.50 -0.53 1.69 2.85 -1.26 -4.80 115.26 111.23 1r42 n ASN 90 Ca -0.04 -1.21 0.43 0.00 -0.11 0.00 0.00 54.58 53.65 1r42 n ASN 90 Cb 0.25 -1.52 0.74 0.00 1.24 0.00 0.00 39.78 40.50 1r42 n ASN 90 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1r42 h LEU 91 N 20.72 0.10 -0.89 1.20 4.07 -1.97 0.86 115.31 139.41 1r42 h LEU 91 Ca -0.03 0.05 -0.11 0.00 0.08 0.00 0.00 57.88 57.87 1r42 h LEU 91 Cb 1.06 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.84 1r42 h LEU 91 CO 1.10 -0.06 -0.34 0.74 -1.08 0.00 0.00 178.44 178.80 1r42 h THR 92 N 0.04 1.29 0.00 0.22 2.02 -1.92 -1.53 112.91 113.03 1r42 h THR 92 Ca 0.81 -1.41 -0.09 0.00 0.77 0.00 0.00 66.41 66.50 1r42 h THR 92 Cb 2.99 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 70.89 1r42 h THR 92 CO -0.16 0.44 -0.52 -0.37 0.37 0.00 0.00 175.52 175.27 1r42 h VAL 93 N 0.35 0.61 -0.24 3.16 -1.51 0.34 -3.19 116.25 115.77 1r42 h VAL 93 Ca 0.04 -1.89 -0.08 0.00 -1.23 0.00 0.00 66.70 63.54 1r42 h VAL 93 Cb 0.76 2.25 -0.01 0.00 -2.13 0.00 0.00 31.29 32.17 1r42 h VAL 93 CO 0.06 0.35 -0.16 0.50 -1.23 0.00 0.00 177.57 177.09 1r42 h LYS 94 N 0.00 0.53 0.03 5.19 3.64 -0.87 -1.20 116.57 123.90 1r42 h LYS 94 Ca -0.02 -0.25 0.03 0.00 -1.27 0.00 0.00 60.65 59.13 1r42 h LYS 94 Cb 1.31 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.07 1r42 h LYS 94 CO 0.05 0.82 -0.44 -0.07 -2.27 0.00 0.00 179.45 177.54 1r42 h LEU 95 N 0.25 -1.34 -0.12 5.20 3.38 -1.32 1.38 115.31 122.73 1r42 h LEU 95 Ca 0.05 0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.21 1r42 h LEU 95 Cb 0.69 0.52 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 1r42 h LEU 95 CO 0.04 -0.48 -0.09 1.56 0.09 0.00 0.00 178.44 179.57 1r42 h GLN 96 N -0.62 -0.09 -0.92 1.13 4.20 -1.55 0.49 115.11 117.75 1r42 h GLN 96 Ca 0.03 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.76 1r42 h GLN 96 Cb 0.68 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.43 1r42 h GLN 96 CO -0.31 -0.06 0.60 1.25 -0.67 0.00 0.00 178.83 179.64 1r42 h LEU 97 N -0.09 1.07 0.56 1.46 5.85 -0.84 -1.93 115.31 121.39 1r42 h LEU 97 Ca 0.08 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1r42 h LEU 97 Cb 0.20 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 1r42 h LEU 97 CO -0.18 0.78 -0.31 -0.61 -0.34 0.00 0.00 178.44 177.78 1r42 h GLN 98 N 1.25 -0.78 -0.57 1.25 4.15 0.28 -1.64 115.11 119.05 1r42 h GLN 98 Ca 0.34 0.05 0.11 0.00 0.77 0.00 0.00 58.65 59.92 1r42 h GLN 98 Cb -0.13 0.18 -0.09 0.00 0.21 0.00 0.00 27.48 27.65 1r42 h GLN 98 CO -0.07 -0.52 0.06 0.00 -1.93 0.00 0.00 178.83 176.37 1r42 h ALA 99 N -0.40 0.61 0.02 3.38 0.00 -0.59 -3.11 119.26 119.16 1r42 h ALA 99 Ca -0.07 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1r42 h ALA 99 Cb 0.65 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1r42 h ALA 99 CO 0.09 -0.35 -0.01 -0.07 0.00 0.00 0.00 179.25 178.92 1r42 h LEU 100 N 0.18 -0.02 -3.17 0.00 3.38 -1.13 -3.29 115.31 111.27 1r42 h LEU 100 Ca 0.29 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1r42 h LEU 100 Cb 0.45 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1r42 h LEU 100 CO -0.43 0.15 0.11 0.00 0.09 0.00 0.00 178.44 178.37 1r42 n GLN 101 N -5.02 1.26 -3.42 1.13 10.64 -0.64 -4.40 117.38 116.94 1r42 n GLN 101 Ca -0.08 -0.48 -0.44 0.00 -1.83 0.00 0.00 57.00 54.18 1r42 n GLN 101 Cb 0.11 -1.20 -0.09 0.00 -0.86 0.00 0.00 30.24 28.20 1r42 n GLN 101 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 1r42 s GLN 102 N -0.51 2.98 -0.01 2.61 0.74 -1.24 -4.96 119.66 119.27 1r42 s GLN 102 Ca 0.11 -1.16 -0.24 0.00 0.05 0.00 0.00 55.36 54.12 1r42 s GLN 102 Cb 0.08 -4.05 -0.16 0.00 1.10 0.00 0.00 33.01 29.98 1r42 s GLN 102 CO -0.00 -0.88 1.15 -0.91 -0.55 0.00 0.00 175.29 174.10 1r42 h ASN 103 N 8.69 -0.31 0.00 6.67 2.35 -1.94 -3.48 115.58 127.56 1r42 h ASN 103 Ca -0.28 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 1r42 h ASN 103 Cb 1.12 0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.57 1r42 h ASN 103 CO 0.80 0.10 0.00 0.61 -1.65 0.00 0.00 177.43 177.29 1r42 n GLY 104 N -0.10 1.62 0.17 2.83 0.00 -1.26 -3.28 105.19 105.17 1r42 n GLY 104 Ca -0.09 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1r42 n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1r42 h SER 105 N 0.00 0.03 0.02 1.61 0.02 -1.93 -2.80 113.55 110.50 1r42 h SER 105 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1r42 h SER 105 Cb 0.00 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1r42 h SER 105 CO 0.00 0.51 0.00 -1.54 -1.14 0.00 0.00 176.83 174.66 1r42 n SER 106 N -3.97 0.00 -0.13 3.07 3.41 -1.20 0.06 113.62 114.86 1r42 n SER 106 Ca -0.02 0.41 0.15 0.00 -0.26 0.00 0.00 58.87 59.16 1r42 n SER 106 Cb 0.50 -0.41 0.80 0.00 -0.26 0.00 0.00 64.21 64.83 1r42 n SER 106 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1r42 n VAL 107 N -1.41 0.00 -3.90 -3.33 3.14 -1.06 -4.82 118.33 106.95 1r42 n VAL 107 Ca 0.00 -0.07 -0.25 0.00 -2.96 0.00 0.00 64.34 61.06 1r42 n VAL 107 Cb 0.01 -0.21 -0.03 0.00 -1.06 0.00 0.00 33.84 32.55 1r42 n VAL 107 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1r42 s LEU 108 N -2.10 4.31 0.22 6.55 1.43 0.11 -5.02 118.68 124.19 1r42 s LEU 108 Ca 0.42 0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 53.41 1r42 s LEU 108 Cb 0.21 -2.95 -0.09 0.00 0.03 0.00 0.00 46.19 43.40 1r42 s LEU 108 CO 0.38 0.00 1.16 -0.94 0.23 0.00 0.00 176.35 177.18 1r42 s SER 109 N -3.40 7.16 0.20 2.29 1.04 -1.26 -4.71 113.70 115.01 1r42 s SER 109 Ca 0.35 2.25 0.01 0.00 0.48 0.00 0.00 55.95 59.03 1r42 s SER 109 Cb -0.11 -2.62 0.48 0.00 0.10 0.00 0.00 66.02 63.88 1r42 s SER 109 CO 0.29 -0.28 1.01 1.21 0.98 0.00 0.00 173.24 176.45 1r42 n GLU 110 N 1.97 -0.05 0.23 4.02 4.07 -1.26 0.16 120.64 129.78 1r42 n GLU 110 Ca 0.02 0.97 0.08 0.00 -0.06 0.00 0.00 57.16 58.17 1r42 n GLU 110 Cb 0.45 -1.54 0.57 0.00 -0.06 0.00 0.00 31.44 30.86 1r42 n GLU 110 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1r42 h ASP 111 N 0.00 0.00 0.01 4.31 3.32 -1.99 -0.66 116.42 121.41 1r42 h ASP 111 Ca 0.39 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.43 1r42 h ASP 111 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1r42 h ASP 111 CO -0.61 0.20 -0.00 0.11 -1.72 0.00 0.00 179.24 177.21 1r42 h LYS 112 N 0.00 -0.01 -0.90 3.56 1.79 0.13 -2.69 116.57 118.45 1r42 h LYS 112 Ca -0.00 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.55 1r42 h LYS 112 Cb 0.41 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.00 1r42 h LYS 112 CO 0.03 0.84 0.58 0.77 -1.08 0.00 0.00 179.45 180.58 1r42 h SER 113 N -0.92 0.86 -0.21 0.86 0.02 -1.27 0.26 113.55 113.14 1r42 h SER 113 Ca -0.00 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1r42 h SER 113 Cb 0.85 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1r42 h SER 113 CO 0.00 0.53 0.04 0.50 -1.14 0.00 0.00 176.83 176.77 1r42 h LYS 114 N 0.96 0.35 -0.40 3.45 3.11 -1.20 -1.11 116.57 121.74 1r42 h LYS 114 Ca 0.40 -0.09 -0.05 0.00 -2.81 0.00 0.00 60.65 58.09 1r42 h LYS 114 Cb 0.28 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.46 1r42 h LYS 114 CO -0.16 0.49 0.05 -0.09 -2.81 0.00 0.00 179.45 176.93 1r42 h ARG 115 N 0.16 0.67 -0.62 1.90 9.65 -0.88 -1.55 114.38 123.70 1r42 h ARG 115 Ca 0.07 -0.19 0.02 0.00 -1.10 0.00 0.00 59.98 58.78 1r42 h ARG 115 Cb 0.30 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.77 1r42 h ARG 115 CO 0.00 0.73 0.39 1.25 2.80 0.00 0.00 179.97 185.15 1r42 h LEU 116 N 0.51 0.65 -0.87 3.80 5.85 -0.45 0.73 115.31 125.52 1r42 h LEU 116 Ca 0.12 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 1r42 h LEU 116 Cb 0.40 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1r42 h LEU 116 CO 0.01 0.46 0.19 0.78 -0.34 0.00 0.00 178.44 179.54 1r42 h ASN 117 N 0.78 0.95 -0.05 1.25 2.35 -0.99 0.25 115.58 120.13 1r42 h ASN 117 Ca 0.24 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1r42 h ASN 117 Cb -0.01 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.11 1r42 h ASN 117 CO -0.09 0.90 0.02 0.74 -1.65 0.00 0.00 177.43 177.36 1r42 h THR 118 N 0.98 1.10 -0.83 2.81 2.02 -0.64 -0.43 112.91 117.91 1r42 h THR 118 Ca 0.21 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 67.14 1r42 h THR 118 Cb 0.31 1.21 -0.05 0.00 -1.74 0.00 0.00 68.15 67.87 1r42 h THR 118 CO -0.00 0.08 0.54 0.40 0.37 0.00 0.00 175.52 176.90 1r42 h ILE 119 N -0.04 1.14 -0.22 3.11 2.04 -0.44 0.12 117.51 123.23 1r42 h ILE 119 Ca 0.02 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 1r42 h ILE 119 Cb 0.11 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 1r42 h ILE 119 CO -0.00 0.19 0.07 -0.07 0.00 0.00 0.00 178.15 178.34 1r42 h LEU 120 N 1.05 0.31 -0.96 1.44 3.38 -0.71 -0.97 115.31 118.85 1r42 h LEU 120 Ca 0.33 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1r42 h LEU 120 Cb -0.00 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1r42 h LEU 120 CO -0.11 0.44 0.35 0.78 0.09 0.00 0.00 178.44 179.98 1r42 h ASN 121 N 0.18 0.99 0.02 -0.43 2.35 -0.56 -0.72 115.58 117.40 1r42 h ASN 121 Ca 0.07 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1r42 h ASN 121 Cb 0.23 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1r42 h ASN 121 CO -0.00 0.85 -0.01 0.74 -1.65 0.00 0.00 177.43 177.36 1r42 h THR 122 N 1.08 1.20 -1.00 2.81 2.02 -0.63 -0.95 112.91 117.44 1r42 h THR 122 Ca 0.26 -0.67 0.02 0.00 0.77 0.00 0.00 66.41 66.79 1r42 h THR 122 Cb 0.13 1.66 -0.05 0.00 -1.74 0.00 0.00 68.15 68.15 1r42 h THR 122 CO -0.03 0.17 0.66 0.24 0.37 0.00 0.00 175.52 176.94 1r42 h MET 123 N -0.31 1.28 -0.59 6.66 2.86 -0.99 -0.95 114.93 122.88 1r42 h MET 123 Ca -0.00 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 1r42 h MET 123 Cb 0.30 -0.29 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1r42 h MET 123 CO 0.00 0.85 0.28 1.03 1.06 0.00 0.00 176.91 180.13 1r42 h SER 124 N 1.32 0.78 -0.11 1.22 0.87 -0.96 -2.33 113.55 114.35 1r42 h SER 124 Ca 0.38 -0.14 -0.19 0.00 -1.23 0.00 0.00 61.79 60.62 1r42 h SER 124 Cb -0.09 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 61.68 1r42 h SER 124 CO -0.10 0.70 -0.66 0.71 -0.53 0.00 0.00 176.83 176.95 1r42 h THR 125 N 0.81 1.33 0.00 2.23 1.35 -0.57 -2.22 112.91 115.84 1r42 h THR 125 Ca 0.20 -1.93 -0.03 0.00 -0.55 0.00 0.00 66.41 64.11 1r42 h THR 125 Cb 0.13 2.15 -0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1r42 h THR 125 CO -0.02 0.59 -0.12 0.16 -0.25 0.00 0.00 175.52 175.88 1r42 h ILE 126 N 0.29 0.85 -0.22 6.82 -0.00 -1.17 0.17 117.51 124.25 1r42 h ILE 126 Ca -0.05 -0.45 -0.16 0.00 -0.00 0.00 0.00 64.86 64.20 1r42 h ILE 126 Cb 1.30 1.26 0.00 0.00 -0.00 0.00 0.00 36.82 39.38 1r42 h ILE 126 CO 0.14 0.12 -0.48 0.22 -0.00 0.00 0.00 178.15 178.14 1r42 h TYR 127 N 0.00 0.92 -0.00 0.16 5.03 -1.26 0.89 116.97 122.71 1r42 h TYR 127 Ca -0.00 -0.34 0.00 0.00 2.58 0.00 0.00 58.73 60.97 1r42 h TYR 127 Cb 0.25 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.36 1r42 h TYR 127 CO 0.00 1.13 -0.41 -1.13 -1.32 0.00 0.00 178.16 176.43 1r42 n SER 128 N -4.14 0.43 0.00 -2.11 3.41 -0.84 -4.19 113.62 106.18 1r42 n SER 128 Ca -0.06 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1r42 n SER 128 Cb 0.59 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 1r42 n SER 128 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1r42 n THR 129 N -1.47 0.00 -2.07 6.66 5.66 0.53 -4.91 114.28 118.68 1r42 n THR 129 Ca 0.06 -0.41 -0.35 0.00 -3.05 0.00 0.00 64.05 60.31 1r42 n THR 129 Cb 0.34 1.07 0.02 0.00 -1.55 0.00 0.00 70.33 70.21 1r42 n THR 129 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1r42 s GLY 130 N -0.49 2.54 0.07 1.09 0.00 0.31 -5.01 107.32 105.83 1r42 s GLY 130 Ca 0.00 0.80 -0.08 0.00 0.00 0.00 0.00 44.72 45.44 1r42 s GLY 130 CO 0.00 1.17 0.16 -1.59 0.00 0.00 0.00 173.10 172.84 1r42 s LYS 131 N -3.49 0.76 0.13 2.90 -2.85 -1.26 -4.12 119.74 111.81 1r42 s LYS 131 Ca 0.72 -0.89 0.11 0.00 -1.00 0.00 0.00 55.97 54.92 1r42 s LYS 131 Cb -0.25 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 35.79 1r42 s LYS 131 CO 0.32 -0.22 -0.27 0.14 0.10 0.00 0.00 175.35 175.42 1r42 s VAL 132 N -3.44 2.27 0.13 1.79 -7.23 -0.43 -4.91 120.40 108.59 1r42 s VAL 132 Ca 0.02 -1.77 0.10 0.00 -1.81 0.00 0.00 61.98 58.52 1r42 s VAL 132 Cb 0.03 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 1r42 s VAL 132 CO -0.09 0.08 -0.24 0.00 -0.31 0.00 0.00 175.10 174.54 1r42 n ASN 134 N 0.85 3.93 0.06 0.00 2.85 -0.03 -4.91 115.26 118.01 1r42 n ASN 134 Ca -0.17 1.13 0.01 0.00 -0.11 0.00 0.00 54.58 55.44 1r42 n ASN 134 Cb 0.53 -1.59 0.35 0.00 1.24 0.00 0.00 39.78 40.30 1r42 n ASN 134 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1r42 h PRO 135 N 5.27 0.39 -0.17 1.20 0.11 -1.99 -2.04 132.00 134.77 1r42 h PRO 135 Ca -0.46 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1r42 h PRO 135 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1r42 h PRO 135 CO 0.83 0.46 0.00 -0.40 -0.21 0.00 0.00 178.00 178.68 1r42 n ASP 136 N -4.29 1.57 -3.01 -2.05 5.75 -1.26 -4.59 116.55 108.67 1r42 n ASP 136 Ca 0.00 -1.71 0.01 0.00 -0.01 0.00 0.00 54.79 53.08 1r42 n ASP 136 Cb 0.25 -0.11 -0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1r42 n ASP 136 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1r42 s ASN 137 N -1.53 -1.04 0.27 -1.12 3.04 -0.78 -5.02 114.94 108.76 1r42 s ASN 137 Ca 0.31 -0.57 0.14 0.00 0.04 0.00 0.00 52.86 52.78 1r42 s ASN 137 Cb 0.17 1.33 0.75 0.00 -1.54 0.00 0.00 41.25 41.96 1r42 s ASN 137 CO 0.25 -0.11 1.34 -2.65 -3.04 0.00 0.00 177.10 172.89 1r42 n PRO 138 N 4.05 0.09 0.00 0.43 -0.02 -1.14 -1.11 135.00 137.30 1r42 n PRO 138 Ca 0.09 0.56 0.11 0.00 -2.02 0.00 0.00 63.50 62.24 1r42 n PRO 138 Cb 0.60 -1.98 0.04 0.00 -0.02 0.00 0.00 33.50 32.14 1r42 n PRO 138 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1r42 n GLN 139 N -2.01 0.03 -3.20 -0.52 3.00 -1.26 -4.70 117.38 108.72 1r42 n GLN 139 Ca -0.01 -0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.54 1r42 n GLN 139 Cb 0.20 -1.51 -0.06 0.00 0.00 0.00 0.00 30.24 28.87 1r42 n GLN 139 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1r42 s GLU 140 N -3.02 3.09 0.02 -1.09 2.12 -0.26 -5.03 118.70 114.52 1r42 s GLU 140 Ca 0.09 -1.03 0.07 0.00 0.36 0.00 0.00 54.97 54.45 1r42 s GLU 140 Cb 0.16 -4.12 -0.02 0.00 0.26 0.00 0.00 34.13 30.41 1r42 s GLU 140 CO 0.80 -1.21 -0.20 0.00 -0.54 0.00 0.00 175.26 174.10 1r42 s LEU 142 N -0.84 2.16 0.54 0.00 1.43 0.65 -4.93 118.68 117.70 1r42 s LEU 142 Ca 0.07 -0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1r42 s LEU 142 Cb -0.08 -1.26 0.02 0.00 0.03 0.00 0.00 46.19 44.90 1r42 s LEU 142 CO 0.01 0.25 0.78 -0.76 0.23 0.00 0.00 176.35 176.86 1r42 s LEU 143 N -1.21 3.33 0.14 1.79 1.02 -1.25 -1.31 118.68 121.18 1r42 s LEU 143 Ca 0.11 0.21 -0.18 0.00 0.02 0.00 0.00 54.13 54.30 1r42 s LEU 143 Cb -0.10 -3.06 -0.02 0.00 0.02 0.00 0.00 46.19 43.03 1r42 s LEU 143 CO 0.02 -1.05 1.77 0.25 0.02 0.00 0.00 176.35 177.36 1r42 h LEU 144 N 0.07 0.38 -7.88 1.79 5.85 -1.88 -2.59 115.31 111.05 1r42 h LEU 144 Ca -0.44 -0.04 -0.63 0.00 0.84 0.00 0.00 57.88 57.61 1r42 h LEU 144 Cb 1.28 -0.10 -0.36 0.00 0.37 0.00 0.00 40.66 41.85 1r42 h LEU 144 CO 0.56 0.31 -0.83 -0.70 -0.34 0.00 0.00 178.44 177.44 1r42 s GLU 145 N -6.05 2.34 0.00 1.25 2.56 -1.26 -1.03 118.70 116.51 1r42 s GLU 145 Ca -0.13 -0.85 0.00 0.00 0.00 0.00 0.00 54.97 53.99 1r42 s GLU 145 Cb 0.10 -2.45 0.00 0.00 2.00 0.00 0.00 34.13 33.78 1r42 s GLU 145 CO 0.71 -0.35 0.00 -0.35 -0.56 0.00 0.00 175.26 174.71 1r42 n PRO 146 N 4.65 1.38 0.00 4.30 -0.04 -1.26 -5.03 135.00 139.00 1r42 n PRO 146 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1r42 n PRO 146 Cb 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 1r42 n PRO 146 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r42 n GLY 147 N 5.00 2.24 0.28 0.55 0.00 -1.26 -3.95 105.19 108.05 1r42 n GLY 147 Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 1r42 n GLY 147 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1r42 h LEU 148 N 0.00 1.00 -0.50 0.99 4.07 -1.38 -1.48 115.31 118.02 1r42 h LEU 148 Ca 0.00 -0.41 -0.06 0.00 0.08 0.00 0.00 57.88 57.49 1r42 h LEU 148 Cb 0.00 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.44 1r42 h LEU 148 CO 0.00 1.21 0.09 0.78 -1.08 0.00 0.00 178.44 179.44 1r42 h ASN 149 N 0.81 0.78 -0.98 -0.43 -0.26 -1.33 -0.02 115.58 114.15 1r42 h ASN 149 Ca 0.09 -0.25 0.01 0.00 -0.56 0.00 0.00 56.30 55.58 1r42 h ASN 149 Cb 0.88 -0.21 -0.05 0.00 -1.06 0.00 0.00 38.32 37.88 1r42 h ASN 149 CO 0.08 0.83 0.65 -0.08 -1.06 0.00 0.00 177.43 177.85 1r42 h GLU 150 N 0.69 1.30 0.17 0.81 4.22 -1.76 -1.50 114.58 118.52 1r42 h GLU 150 Ca 0.15 -0.08 -0.01 0.00 0.08 0.00 0.00 59.36 59.50 1r42 h GLU 150 Cb 0.38 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1r42 h GLU 150 CO 0.01 0.87 -0.08 0.82 -2.18 0.00 0.00 179.01 178.44 1r42 h ILE 151 N 1.34 0.96 0.00 2.32 2.04 -0.98 -1.76 117.51 121.43 1r42 h ILE 151 Ca 0.36 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1r42 h ILE 151 Cb -0.15 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1r42 h ILE 151 CO -0.08 0.17 -0.00 0.24 0.00 0.00 0.00 178.15 178.48 1r42 h MET 152 N -0.61 0.00 0.00 2.37 2.86 -0.74 0.07 114.93 118.88 1r42 h MET 152 Ca -0.02 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.39 1r42 h MET 152 Cb 0.45 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 1r42 h MET 152 CO 0.04 0.00 -1.91 0.00 1.06 0.00 0.00 176.91 176.10 1r42 n ALA 153 N -2.11 1.89 -0.00 6.32 0.00 -0.59 -3.24 120.51 122.78 1r42 n ALA 153 Ca -0.03 -0.85 0.01 0.00 0.00 0.00 0.00 53.44 52.57 1r42 n ALA 153 Cb 0.09 -0.62 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 1r42 n ALA 153 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1r42 n ASN 154 N -2.74 4.57 -4.77 0.00 4.13 -0.67 -4.92 115.26 110.86 1r42 n ASN 154 Ca -0.18 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.71 1r42 n ASN 154 Cb 0.93 1.01 -0.02 0.00 -1.54 0.00 0.00 39.78 40.16 1r42 n ASN 154 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1r42 s SER 155 N -2.37 6.34 -0.04 6.41 0.15 -0.04 -4.95 113.70 119.20 1r42 s SER 155 Ca -0.01 2.28 0.07 0.00 0.70 0.00 0.00 55.95 58.99 1r42 s SER 155 Cb 0.01 -2.60 0.13 0.00 -1.71 0.00 0.00 66.02 61.85 1r42 s SER 155 CO 0.08 -0.80 1.08 0.18 1.20 0.00 0.00 173.24 174.98 1r42 n LEU 156 N -0.29 2.27 -4.51 3.45 4.32 -1.26 -4.97 117.00 116.01 1r42 n LEU 156 Ca 0.06 -2.31 -0.41 0.00 -0.02 0.00 0.00 56.01 53.33 1r42 n LEU 156 Cb 0.48 -0.15 -0.10 0.00 -1.62 0.00 0.00 43.42 42.03 1r42 n LEU 156 CO 0.48 0.58 -0.01 -0.62 -1.22 0.00 0.00 177.39 176.61 1r42 s ASP 157 N -1.50 6.14 0.22 -1.43 2.15 -1.26 -4.98 116.67 116.02 1r42 s ASP 157 Ca 0.12 -0.48 -0.10 0.00 0.43 0.00 0.00 52.55 52.52 1r42 s ASP 157 Cb 0.10 -2.18 0.33 0.00 -0.30 0.00 0.00 42.92 40.86 1r42 s ASP 157 CO 0.03 -0.38 1.65 0.22 -0.17 0.00 0.00 175.17 176.52 1r42 h TYR 158 N 8.55 -0.06 -0.44 -5.34 3.20 -1.96 -1.75 116.97 119.17 1r42 h TYR 158 Ca -0.29 0.05 -0.13 0.00 3.14 0.00 0.00 58.73 61.50 1r42 h TYR 158 Cb 1.14 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.53 1r42 h TYR 158 CO 0.65 -0.19 -0.23 -0.91 -1.64 0.00 0.00 178.16 175.83 1r42 h ASN 159 N 0.11 0.96 -0.42 -2.11 2.35 -1.98 -1.16 115.58 113.32 1r42 h ASN 159 Ca 0.35 -0.41 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 1r42 h ASN 159 Cb 0.57 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 1r42 h ASN 159 CO -0.57 1.16 0.13 -0.08 -1.65 0.00 0.00 177.43 176.41 1r42 h GLU 160 N 0.76 0.66 -0.60 0.81 4.81 -1.88 0.18 114.58 119.32 1r42 h GLU 160 Ca 0.09 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1r42 h GLU 160 Cb 0.81 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 1r42 h GLU 160 CO 0.07 0.65 0.18 0.00 -0.73 0.00 0.00 179.01 179.18 1r42 h ARG 161 N 0.54 0.91 -0.35 1.92 3.08 -1.30 -1.23 114.38 117.96 1r42 h ARG 161 Ca 0.14 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 1r42 h ARG 161 Cb 0.27 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1r42 h ARG 161 CO -0.00 0.78 -0.12 1.25 -1.07 0.00 0.00 179.97 180.81 1r42 h LEU 162 N 0.88 0.71 -0.33 3.04 5.85 -0.83 -0.86 115.31 123.76 1r42 h LEU 162 Ca 0.20 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.58 1r42 h LEU 162 Cb 0.26 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1r42 h LEU 162 CO -0.01 0.93 0.07 -0.25 -0.34 0.00 0.00 178.44 178.84 1r42 h TRP 163 N 0.48 0.11 -0.33 1.25 7.01 -0.18 -1.70 115.95 122.59 1r42 h TRP 163 Ca 0.08 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.06 1r42 h TRP 163 Cb 0.64 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.69 1r42 h TRP 163 CO 0.05 0.02 0.04 0.00 -2.79 0.00 0.00 178.44 175.77 1r42 h ALA 164 N 1.25 0.44 0.50 2.65 0.00 -1.10 -1.58 119.26 121.41 1r42 h ALA 164 Ca 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1r42 h ALA 164 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1r42 h ALA 164 CO -0.21 0.15 -0.36 2.35 0.00 0.00 0.00 179.25 181.18 1r42 h TRP 165 N 0.38 -0.96 -0.68 0.00 7.01 -0.96 -1.90 115.95 118.83 1r42 h TRP 165 Ca 0.10 -0.00 -0.07 0.00 2.11 0.00 0.00 58.89 61.03 1r42 h TRP 165 Cb 0.38 0.36 -0.03 0.00 -2.10 0.00 0.00 29.16 27.76 1r42 h TRP 165 CO 0.03 -0.53 0.17 1.49 -2.79 0.00 0.00 178.44 176.80 1r42 h GLU 166 N -0.83 1.09 -0.60 2.65 4.57 -1.39 -2.85 114.58 117.23 1r42 h GLU 166 Ca -0.05 -0.26 -0.05 0.00 -1.18 0.00 0.00 59.36 57.81 1r42 h GLU 166 Cb 0.70 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 1r42 h GLU 166 CO 0.02 0.97 0.17 0.77 -1.18 0.00 0.00 179.01 179.76 1r42 h SER 167 N 1.02 0.88 -0.04 1.04 0.02 -1.27 0.77 113.55 115.97 1r42 h SER 167 Ca 0.21 -0.22 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1r42 h SER 167 Cb 0.37 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1r42 h SER 167 CO 0.00 0.86 -0.02 -0.25 -1.14 0.00 0.00 176.83 176.28 1r42 h TRP 168 N 0.85 -0.06 -0.06 3.45 -0.00 -1.29 0.30 115.95 119.15 1r42 h TRP 168 Ca 0.19 0.01 -0.13 0.00 -0.00 0.00 0.00 58.89 58.95 1r42 h TRP 168 Cb 0.31 0.03 -0.01 0.00 -0.00 0.00 0.00 29.16 29.49 1r42 h TRP 168 CO 0.02 -0.04 -0.56 0.00 -0.00 0.00 0.00 178.44 177.86 1r42 h ARG 169 N -0.02 0.17 0.04 2.65 3.08 -1.27 -2.02 114.38 117.01 1r42 h ARG 169 Ca 0.03 -0.11 -0.21 0.00 0.07 0.00 0.00 59.98 59.75 1r42 h ARG 169 Cb 0.06 0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.14 1r42 h ARG 169 CO -0.06 0.69 -0.85 1.03 -1.07 0.00 0.00 179.97 179.71 1r42 h SER 170 N 0.13 0.69 0.11 7.04 0.87 0.91 -2.77 113.55 120.53 1r42 h SER 170 Ca -0.00 -0.79 -0.20 0.00 -1.23 0.00 0.00 61.79 59.57 1r42 h SER 170 Cb 1.03 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.78 1r42 h SER 170 CO 0.08 1.39 -0.96 -0.33 -0.53 0.00 0.00 176.83 176.49 1r42 h GLU 171 N 0.06 0.22 0.02 2.24 3.07 -0.47 -3.36 114.58 116.37 1r42 h GLU 171 Ca -0.12 -0.38 -0.39 0.00 -0.50 0.00 0.00 59.36 57.97 1r42 h GLU 171 Cb 1.55 0.14 -0.06 0.00 -0.84 0.00 0.00 28.75 29.54 1r42 h GLU 171 CO 0.17 1.18 -2.38 1.33 -1.40 0.00 0.00 179.01 177.91 1r42 n VAL 172 N -4.13 1.54 -0.24 3.13 0.24 -0.79 -4.13 118.33 113.96 1r42 n VAL 172 Ca -0.19 -0.54 0.04 0.00 -2.04 0.00 0.00 64.34 61.62 1r42 n VAL 172 Cb 0.80 -1.56 0.16 0.00 -1.47 0.00 0.00 33.84 31.77 1r42 n VAL 172 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1r42 h GLY 173 N 1.29 0.96 2.00 7.63 0.00 -1.29 0.11 103.07 113.77 1r42 h GLY 173 Ca -0.57 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 1r42 h GLY 173 CO -0.12 -0.16 -0.12 0.50 0.00 0.00 0.00 176.54 176.64 1r42 h LYS 174 N 0.29 0.00 -0.01 4.80 1.57 -1.64 -0.19 116.57 121.40 1r42 h LYS 174 Ca 0.39 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.07 1r42 h LYS 174 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1r42 h LYS 174 CO -0.46 0.12 -0.45 1.96 -0.57 0.00 0.00 179.45 180.05 1r42 h GLN 175 N 0.00 0.01 0.00 3.15 4.20 -0.95 -2.94 115.11 118.58 1r42 h GLN 175 Ca -0.00 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 1r42 h GLN 175 Cb 0.24 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1r42 h GLN 175 CO 0.02 0.46 -0.52 -0.07 -0.67 0.00 0.00 178.83 178.04 1r42 h LEU 176 N 0.01 0.00 -0.16 1.46 4.07 -0.60 -3.37 115.31 116.71 1r42 h LEU 176 Ca -0.00 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.01 1r42 h LEU 176 Cb 0.80 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.47 1r42 h LEU 176 CO 0.06 0.52 -0.37 -0.09 -1.08 0.00 0.00 178.44 177.49 1r42 h ARG 177 N 0.00 -0.41 -0.30 1.13 9.65 -1.23 0.20 114.38 123.43 1r42 h ARG 177 Ca -0.01 0.03 0.05 0.00 -1.10 0.00 0.00 59.98 58.95 1r42 h ARG 177 Cb 1.26 0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 29.89 1r42 h ARG 177 CO 0.07 -0.27 0.04 -1.35 2.80 0.00 0.00 179.97 181.26 1r42 h PRO 178 N -0.42 0.14 -0.51 0.20 0.11 -1.75 -2.57 132.00 127.20 1r42 h PRO 178 Ca 0.10 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 1r42 h PRO 178 Cb 0.58 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.64 1r42 h PRO 178 CO -0.39 0.10 0.23 -0.07 -0.21 0.00 0.00 178.00 177.65 1r42 h LEU 179 N 0.15 0.68 -1.02 2.35 3.38 -1.63 -2.98 115.31 116.24 1r42 h LEU 179 Ca 0.14 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1r42 h LEU 179 Cb 0.16 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1r42 h LEU 179 CO -0.20 0.64 0.58 0.22 0.09 0.00 0.00 178.44 179.77 1r42 h TYR 180 N 0.68 1.20 -0.09 1.13 3.20 -0.33 -0.27 116.97 122.49 1r42 h TYR 180 Ca 0.17 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 1r42 h TYR 180 Cb 0.16 -0.40 -0.00 0.00 1.54 0.00 0.00 36.73 38.02 1r42 h TYR 180 CO -0.00 0.78 0.03 0.93 -1.64 0.00 0.00 178.16 178.26 1r42 h GLU 181 N 1.27 0.14 -0.93 1.82 5.08 -1.39 -1.42 114.58 119.15 1r42 h GLU 181 Ca 0.34 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1r42 h GLU 181 Cb -0.09 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 1r42 h GLU 181 CO -0.07 0.28 0.60 1.49 -1.00 0.00 0.00 179.01 180.32 1r42 h GLU 182 N -0.03 1.24 -0.62 2.33 4.81 -1.36 -2.85 114.58 118.09 1r42 h GLU 182 Ca 0.03 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1r42 h GLU 182 Cb 0.20 -0.27 -0.05 0.00 0.63 0.00 0.00 28.75 29.26 1r42 h GLU 182 CO -0.00 0.83 0.34 -0.92 -0.73 0.00 0.00 179.01 178.53 1r42 h TYR 183 N 1.27 0.62 -0.63 0.92 5.03 -0.54 -1.77 116.97 121.87 1r42 h TYR 183 Ca 0.34 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.59 1r42 h TYR 183 Cb -0.12 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 37.95 1r42 h TYR 183 CO -0.00 0.30 0.06 -0.39 -1.32 0.00 0.00 178.16 176.81 1r42 h VAL 184 N 0.64 1.26 0.39 1.81 -1.51 -1.05 -0.66 116.25 117.13 1r42 h VAL 184 Ca 0.28 -1.08 -0.00 0.00 -1.23 0.00 0.00 66.70 64.66 1r42 h VAL 184 Cb 0.16 0.71 -0.03 0.00 -2.13 0.00 0.00 31.29 30.01 1r42 h VAL 184 CO -0.17 0.40 -0.45 0.58 -1.23 0.00 0.00 177.57 176.69 1r42 h VAL 185 N 0.99 0.10 -0.78 7.19 2.07 -1.27 0.31 116.25 124.86 1r42 h VAL 185 Ca 0.19 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.74 1r42 h VAL 185 Cb 0.49 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1r42 h VAL 185 CO 0.02 0.00 0.51 -0.07 0.02 0.00 0.00 177.57 178.06 1r42 h LEU 186 N -0.87 0.82 -0.23 2.57 4.07 -1.26 -1.39 115.31 119.03 1r42 h LEU 186 Ca -0.04 -0.01 -0.21 0.00 0.08 0.00 0.00 57.88 57.71 1r42 h LEU 186 Cb 0.79 -0.19 0.01 0.00 1.08 0.00 0.00 40.66 42.34 1r42 h LEU 186 CO -0.10 0.57 -0.70 0.50 -1.08 0.00 0.00 178.44 177.63 1r42 h LYS 187 N 0.96 0.80 -0.02 1.13 1.63 -0.70 -1.72 116.57 118.66 1r42 h LYS 187 Ca 0.31 -0.60 -0.08 0.00 -0.85 0.00 0.00 60.65 59.43 1r42 h LYS 187 Cb 0.05 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 1r42 h LYS 187 CO -0.09 1.22 -0.36 -0.91 -3.45 0.00 0.00 179.45 175.85 1r42 h ASN 188 N 0.57 0.03 -0.18 4.20 2.35 -0.07 -0.52 115.58 121.96 1r42 h ASN 188 Ca -0.03 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 1r42 h ASN 188 Cb 1.31 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.67 1r42 h ASN 188 CO 0.15 0.39 -0.13 -0.08 -1.65 0.00 0.00 177.43 176.11 1r42 h GLU 189 N 0.03 0.41 0.06 0.81 4.81 -1.10 0.17 114.58 119.78 1r42 h GLU 189 Ca 0.00 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1r42 h GLU 189 Cb 0.65 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 1r42 h GLU 189 CO 0.05 0.74 -0.14 1.98 -0.73 0.00 0.00 179.01 180.91 1r42 h MET 190 N 0.08 -0.25 -0.37 1.92 4.05 -0.93 -2.19 114.93 117.25 1r42 h MET 190 Ca 0.04 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.53 1r42 h MET 190 Cb 0.64 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.45 1r42 h MET 190 CO 0.04 -0.17 0.08 0.00 0.23 0.00 0.00 176.91 177.09 1r42 h ALA 191 N 0.64 0.40 -0.19 0.39 0.00 -0.98 -2.05 119.26 117.46 1r42 h ALA 191 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1r42 h ALA 191 Cb 0.28 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1r42 h ALA 191 CO -0.09 -0.32 0.12 0.00 0.00 0.00 0.00 179.25 178.96 1r42 h ARG 192 N 0.20 0.25 0.00 0.00 3.08 -0.81 -0.81 114.38 116.29 1r42 h ARG 192 Ca 0.17 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1r42 h ARG 192 Cb 0.20 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1r42 h ARG 192 CO -0.23 0.19 0.00 0.00 -1.07 0.00 0.00 179.97 178.87 1r42 h ALA 193 N 1.05 1.00 -0.68 0.04 0.00 -1.16 0.24 119.26 119.74 1r42 h ALA 193 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1r42 h ALA 193 Cb -0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1r42 h ALA 193 CO -0.01 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.33 1r42 n ASN 194 N -2.39 3.64 -1.21 0.00 3.02 -0.62 -4.94 115.26 112.77 1r42 n ASN 194 Ca -0.00 -2.00 -0.07 0.00 -0.03 0.00 0.00 54.58 52.48 1r42 n ASN 194 Cb 0.11 -0.46 0.02 0.00 -0.61 0.00 0.00 39.78 38.85 1r42 n ASN 194 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1r42 n HIS 195 N 1.49 -0.69 -4.38 3.10 8.25 0.83 -5.04 115.22 118.78 1r42 n HIS 195 Ca 0.23 0.21 -0.21 0.00 -0.26 0.00 0.00 57.72 57.69 1r42 n HIS 195 Cb 0.57 -2.10 -0.10 0.00 1.12 0.00 0.00 29.99 29.48 1r42 n HIS 195 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1r42 s TYR 196 N -2.87 1.91 0.07 4.41 2.02 -0.41 -5.01 117.35 117.47 1r42 s TYR 196 Ca 0.12 -0.48 -0.20 0.00 -0.37 0.00 0.00 57.07 56.15 1r42 s TYR 196 Cb -0.05 -0.89 -0.11 0.00 -0.40 0.00 0.00 41.96 40.51 1r42 s TYR 196 CO 0.15 0.45 1.48 0.93 -1.57 0.00 0.00 175.55 176.99 1r42 h GLU 197 N 2.68 0.34 -3.05 -0.62 5.08 -1.91 -3.18 114.58 113.92 1r42 h GLU 197 Ca -0.40 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 57.90 1r42 h GLU 197 Cb 1.23 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.40 1r42 h GLU 197 CO 0.58 0.57 0.21 0.16 -1.00 0.00 0.00 179.01 179.53 1r42 s ASP 198 N -5.88 -0.22 0.36 1.42 -4.77 -1.26 -4.66 116.67 101.66 1r42 s ASP 198 Ca -0.14 -0.68 0.10 0.00 -3.30 0.00 0.00 52.55 48.53 1r42 s ASP 198 Cb 0.06 0.73 0.86 0.00 -1.09 0.00 0.00 42.92 43.48 1r42 s ASP 198 CO 0.73 -1.36 1.87 0.22 0.70 0.00 0.00 175.17 177.33 1r42 h TYR 199 N 2.02 0.78 -0.20 2.11 3.20 -1.82 -0.26 116.97 122.78 1r42 h TYR 199 Ca -0.21 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.56 1r42 h TYR 199 Cb 1.25 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 1r42 h TYR 199 CO 0.50 0.27 -0.42 0.78 -1.64 0.00 0.00 178.16 177.65 1r42 h GLY 200 N 0.65 0.53 1.13 1.82 0.00 -1.89 -2.12 103.07 103.19 1r42 h GLY 200 Ca 0.45 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 1r42 h GLY 200 CO -0.20 0.49 0.11 -1.80 0.00 0.00 0.00 176.54 175.13 1r42 h ASP 201 N 0.40 1.02 -0.49 0.19 3.58 -1.47 -2.44 116.42 117.20 1r42 h ASP 201 Ca 0.03 -0.24 0.07 0.00 0.42 0.00 0.00 57.03 57.32 1r42 h ASP 201 Cb 0.91 -0.27 -0.06 0.00 1.72 0.00 0.00 39.33 41.63 1r42 h ASP 201 CO 0.08 1.01 0.16 0.22 -2.88 0.00 0.00 179.24 177.83 1r42 h TYR 202 N 1.00 0.29 -0.61 0.28 3.20 -0.77 -2.60 116.97 117.76 1r42 h TYR 202 Ca 0.20 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.03 1r42 h TYR 202 Cb 0.42 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 1r42 h TYR 202 CO 0.03 0.08 0.13 -1.49 -1.64 0.00 0.00 178.16 175.28 1r42 h TRP 203 N 0.33 1.04 0.00 -3.82 6.55 -1.04 -1.53 115.95 117.48 1r42 h TRP 203 Ca 0.24 -0.13 0.00 0.00 0.95 0.00 0.00 58.89 59.95 1r42 h TRP 203 Cb 0.26 -0.29 0.00 0.00 -0.86 0.00 0.00 29.16 28.27 1r42 h TRP 203 CO -0.17 0.88 0.00 0.54 -1.05 0.00 0.00 178.44 178.64 1r42 n ARG 204 N -4.33 0.09 0.27 0.49 1.74 -0.95 -1.88 116.66 112.09 1r42 n ARG 204 Ca 0.03 0.47 0.15 0.00 -0.77 0.00 0.00 57.85 57.73 1r42 n ARG 204 Cb 0.25 -1.73 0.80 0.00 -1.02 0.00 0.00 32.46 30.76 1r42 n ARG 204 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1r42 h GLY 205 N 1.08 0.00 2.00 -0.13 0.00 -0.90 -1.57 103.07 103.55 1r42 h GLY 205 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1r42 h GLY 205 CO 0.00 0.00 -0.16 -1.80 0.00 0.00 0.00 176.54 174.58 1r42 h ASP 206 N 0.00 0.00 0.08 0.19 1.82 -1.57 -3.09 116.42 113.85 1r42 h ASP 206 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1r42 h ASP 206 Cb 0.32 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.33 1r42 h ASP 206 CO 0.00 0.16 -0.95 -1.22 -1.61 0.00 0.00 179.24 175.62 1r42 n TYR 207 N -3.32 0.00 -2.14 0.28 4.02 -0.59 -4.69 117.16 110.72 1r42 n TYR 207 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 1r42 n TYR 207 Cb 0.39 -0.05 -0.03 0.00 -0.02 0.00 0.00 39.34 39.63 1r42 n TYR 207 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1r42 s GLU 208 N -3.01 4.31 -0.03 -0.72 2.12 -1.17 -4.78 118.70 115.43 1r42 s GLU 208 Ca 0.08 2.11 0.01 0.00 0.36 0.00 0.00 54.97 57.53 1r42 s GLU 208 Cb 0.16 -3.23 0.02 0.00 0.26 0.00 0.00 34.13 31.35 1r42 s GLU 208 CO 0.85 -0.44 -0.00 0.54 -0.54 0.00 0.00 175.26 175.66 1r42 s VAL 209 N 0.97 0.19 0.32 3.70 0.11 -1.00 -4.96 120.40 119.73 1r42 s VAL 209 Ca 0.64 0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.77 1r42 s VAL 209 Cb -0.38 -0.26 -0.05 0.00 -1.53 0.00 0.00 36.38 34.16 1r42 s VAL 209 CO 0.32 0.13 0.10 0.20 -3.33 0.00 0.00 175.10 172.52 1r42 s ASN 210 N 0.84 1.97 -1.70 3.54 0.02 -1.26 -1.26 114.94 117.09 1r42 s ASN 210 Ca -0.08 -1.47 0.00 0.00 -1.02 0.00 0.00 52.86 50.28 1r42 s ASN 210 Cb -0.12 0.19 0.00 0.00 0.02 0.00 0.00 41.25 41.35 1r42 s ASN 210 CO -0.01 -0.76 0.00 0.61 0.02 0.00 0.00 177.10 176.96 1r42 n GLY 211 N -0.65 -0.27 2.52 0.66 0.00 -1.26 -4.95 105.19 101.25 1r42 n GLY 211 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1r42 n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r42 s VAL 212 N -2.94 -0.00 -0.03 1.61 1.01 -1.26 -5.05 120.40 113.74 1r42 s VAL 212 Ca 0.00 -1.03 -0.34 0.00 0.00 0.00 0.00 61.98 60.61 1r42 s VAL 212 Cb 0.00 -1.03 -0.13 0.00 0.00 0.00 0.00 36.38 35.23 1r42 s VAL 212 CO 0.00 -0.80 1.78 0.47 0.00 0.00 0.00 175.10 176.55 1r42 n ASP 213 N 4.91 3.27 0.00 3.32 8.00 -1.26 -2.10 116.55 132.69 1r42 n ASP 213 Ca -0.01 1.01 0.00 0.00 0.71 0.00 0.00 54.79 56.50 1r42 n ASP 213 Cb 0.41 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 1r42 n ASP 213 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r42 n GLY 214 N 4.10 0.72 0.00 0.44 0.00 -1.26 -4.83 105.19 104.36 1r42 n GLY 214 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1r42 n GLY 214 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1r42 n TYR 215 N -2.00 0.00 -1.07 1.61 4.01 -0.89 -5.06 117.16 113.75 1r42 n TYR 215 Ca 0.00 -0.06 -0.32 0.00 -0.16 0.00 0.00 57.90 57.36 1r42 n TYR 215 Cb 0.00 -0.01 0.13 0.00 -0.31 0.00 0.00 39.34 39.15 1r42 n TYR 215 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1r42 s ASP 216 N -0.12 3.69 -0.27 7.72 -0.00 -1.10 -4.76 116.67 121.84 1r42 s ASP 216 Ca 0.00 2.18 -0.13 0.00 -0.00 0.00 0.00 52.55 54.59 1r42 s ASP 216 Cb 0.00 -2.57 0.09 0.00 -0.00 0.00 0.00 42.92 40.44 1r42 s ASP 216 CO 0.00 -2.59 0.63 -0.47 -0.00 0.00 0.00 175.17 172.74 1r42 s TYR 217 N -2.46 -1.05 0.52 4.23 5.04 -0.39 -4.92 117.35 118.31 1r42 s TYR 217 Ca 0.68 2.04 -0.07 0.00 -2.44 0.00 0.00 57.07 57.28 1r42 s TYR 217 Cb -0.24 0.61 -0.04 0.00 0.35 0.00 0.00 41.96 42.64 1r42 s TYR 217 CO 0.53 -0.53 0.85 0.45 -1.34 0.00 0.00 175.55 175.50 1r42 s SER 218 N 1.91 6.25 0.11 4.32 0.15 -1.26 -2.38 113.70 122.81 1r42 s SER 218 Ca -0.09 1.05 -0.13 0.00 0.70 0.00 0.00 55.95 57.49 1r42 s SER 218 Cb -0.07 -2.30 -0.12 0.00 -1.71 0.00 0.00 66.02 61.81 1r42 s SER 218 CO -0.18 -0.65 1.36 0.03 1.20 0.00 0.00 173.24 174.99 1r42 h ARG 219 N 0.09 0.82 0.00 5.44 3.08 -1.93 -2.96 114.38 118.92 1r42 h ARG 219 Ca -0.46 -0.58 -0.05 0.00 0.07 0.00 0.00 59.98 58.96 1r42 h ARG 219 Cb 1.20 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 1r42 h ARG 219 CO 0.62 1.20 -0.22 0.78 -1.07 0.00 0.00 179.97 181.28 1r42 h GLY 220 N 0.58 0.00 2.00 0.04 0.00 -1.94 -2.73 103.07 101.02 1r42 h GLY 220 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1r42 h GLY 220 CO 0.13 0.00 -0.08 -1.61 0.00 0.00 0.00 176.54 174.98 1r42 h GLN 221 N 0.00 0.00 -0.14 4.80 4.15 -1.91 -2.51 115.11 119.51 1r42 h GLN 221 Ca -0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1r42 h GLN 221 Cb 0.74 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.43 1r42 h GLN 221 CO 0.03 0.08 -0.02 1.25 -1.93 0.00 0.00 178.83 178.24 1r42 h LEU 222 N 0.00 0.25 -1.07 -2.39 5.85 -1.50 -2.18 115.31 114.27 1r42 h LEU 222 Ca -0.00 -0.34 0.11 0.00 0.84 0.00 0.00 57.88 58.48 1r42 h LEU 222 Cb 0.35 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 1r42 h LEU 222 CO 0.01 0.53 0.62 0.40 -0.34 0.00 0.00 178.44 179.67 1r42 h ILE 223 N -0.04 0.96 0.00 4.05 2.04 -1.59 -1.23 117.51 121.70 1r42 h ILE 223 Ca 0.04 -0.34 -0.19 0.00 1.00 0.00 0.00 64.86 65.36 1r42 h ILE 223 Cb 0.42 -0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 1r42 h ILE 223 CO 0.01 0.18 -0.97 1.05 0.00 0.00 0.00 178.15 178.42 1r42 h GLU 224 N 1.00 0.00 0.00 2.37 4.11 -1.48 -2.42 114.58 118.15 1r42 h GLU 224 Ca 0.46 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.76 1r42 h GLU 224 Cb 0.42 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1r42 h GLU 224 CO -0.22 0.81 -0.65 -0.44 0.07 0.00 0.00 179.01 178.57 1r42 h ASP 225 N 0.00 0.00 0.30 3.06 3.32 -1.02 0.10 116.42 122.18 1r42 h ASP 225 Ca -0.04 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1r42 h ASP 225 Cb 1.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.25 1r42 h ASP 225 CO 0.11 0.65 -0.14 0.58 -1.72 0.00 0.00 179.24 178.71 1r42 h VAL 226 N 0.00 0.65 -0.57 -1.35 2.07 -1.25 -1.36 116.25 114.44 1r42 h VAL 226 Ca -0.01 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1r42 h VAL 226 Cb 1.19 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1r42 h VAL 226 CO 0.08 0.13 0.37 -0.33 0.02 0.00 0.00 177.57 177.85 1r42 h GLU 227 N -0.84 0.74 -0.22 1.57 5.08 -1.40 0.24 114.58 119.76 1r42 h GLU 227 Ca -0.04 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.14 1r42 h GLU 227 Cb 0.52 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1r42 h GLU 227 CO 0.07 0.49 -0.39 1.25 -1.00 0.00 0.00 179.01 179.43 1r42 h HIS 228 N 0.77 0.82 -0.09 4.33 2.76 -0.98 -2.54 115.15 120.22 1r42 h HIS 228 Ca 0.21 -0.29 -0.13 0.00 -2.20 0.00 0.00 60.37 57.96 1r42 h HIS 228 Cb -0.09 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.70 1r42 h HIS 228 CO 0.00 1.05 -0.51 0.00 -1.30 0.00 0.00 177.93 177.17 1r42 h THR 229 N 0.35 1.35 -0.70 6.26 1.03 -0.82 -3.09 112.91 117.29 1r42 h THR 229 Ca 0.01 -1.75 -0.05 0.00 -0.01 0.00 0.00 66.41 64.61 1r42 h THR 229 Cb 0.99 1.84 -0.03 0.00 -1.07 0.00 0.00 68.15 69.88 1r42 h THR 229 CO 0.09 0.52 0.23 0.15 -0.01 0.00 0.00 175.52 176.50 1r42 h PHE 230 N 0.19 1.10 -0.76 0.00 3.57 -0.41 -2.74 116.94 117.90 1r42 h PHE 230 Ca 0.01 -0.10 0.10 0.00 3.53 0.00 0.00 57.97 61.51 1r42 h PHE 230 Cb 0.96 -0.32 -0.07 0.00 2.79 0.00 0.00 35.95 39.31 1r42 h PHE 230 CO 0.02 0.86 0.40 0.93 -2.23 0.00 0.00 178.31 178.29 1r42 h GLU 231 N 1.03 0.65 0.00 1.11 4.39 -1.37 0.13 114.58 120.52 1r42 h GLU 231 Ca 0.23 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1r42 h GLU 231 Cb 0.27 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1r42 h GLU 231 CO -0.01 0.43 0.00 0.93 -1.16 0.00 0.00 179.01 179.20 1r42 h GLU 232 N 0.66 0.00 0.00 2.33 5.08 -1.53 -2.85 114.58 118.27 1r42 h GLU 232 Ca 0.37 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.63 1r42 h GLU 232 Cb 0.38 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1r42 h GLU 232 CO -0.27 0.00 -1.14 0.97 -1.00 0.00 0.00 179.01 177.57 1r42 h ILE 233 N 0.00 0.35 -0.75 3.13 -0.00 -0.88 -3.40 117.51 115.95 1r42 h ILE 233 Ca 0.00 -1.65 0.17 0.00 -0.00 0.00 0.00 64.86 63.39 1r42 h ILE 233 Cb 0.38 1.89 -0.12 0.00 -0.00 0.00 0.00 36.82 38.96 1r42 h ILE 233 CO 0.00 0.20 0.09 0.11 -0.00 0.00 0.00 178.15 178.55 1r42 h LYS 234 N 0.00 0.17 -0.53 2.19 1.57 -1.15 -1.81 116.57 117.01 1r42 h LYS 234 Ca -0.09 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1r42 h LYS 234 Cb 1.35 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.60 1r42 h LYS 234 CO 0.03 0.11 0.35 -1.35 -0.57 0.00 0.00 179.45 178.02 1r42 h PRO 235 N 0.17 0.70 -0.39 3.15 0.11 -1.77 0.11 132.00 134.08 1r42 h PRO 235 Ca 0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1r42 h PRO 235 Cb 0.75 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.69 1r42 h PRO 235 CO -0.60 0.46 0.24 1.25 -0.21 0.00 0.00 178.00 179.14 1r42 h LEU 236 N 0.72 0.46 -0.01 2.35 5.85 -1.68 -2.55 115.31 120.44 1r42 h LEU 236 Ca 0.19 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1r42 h LEU 236 Cb -0.08 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 1r42 h LEU 236 CO -0.04 0.36 0.01 0.22 -0.34 0.00 0.00 178.44 178.65 1r42 h TYR 237 N 0.51 0.01 -0.99 1.25 3.20 -0.88 -1.58 116.97 118.50 1r42 h TYR 237 Ca 0.14 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.17 1r42 h TYR 237 Cb -0.02 -0.00 -0.10 0.00 1.54 0.00 0.00 36.73 38.15 1r42 h TYR 237 CO -0.04 0.10 0.61 0.93 -1.64 0.00 0.00 178.16 178.12 1r42 h GLU 238 N -0.08 0.82 -0.03 1.82 5.08 -0.72 0.76 114.58 122.24 1r42 h GLU 238 Ca 0.00 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.16 1r42 h GLU 238 Cb 0.09 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1r42 h GLU 238 CO -0.00 0.54 -0.69 0.45 -1.00 0.00 0.00 179.01 178.31 1r42 h HIS 239 N 0.84 0.19 -0.23 4.33 3.86 -1.27 0.15 115.15 123.03 1r42 h HIS 239 Ca 0.54 -0.08 -0.15 0.00 -1.16 0.00 0.00 60.37 59.52 1r42 h HIS 239 Cb 0.73 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.17 1r42 h HIS 239 CO -0.01 0.79 -0.43 1.25 0.86 0.00 0.00 177.93 180.39 1r42 h LEU 240 N 0.09 0.77 -0.40 2.43 7.12 -0.09 -1.87 115.31 123.36 1r42 h LEU 240 Ca -0.02 -0.54 -0.01 0.00 0.13 0.00 0.00 57.88 57.45 1r42 h LEU 240 Cb 1.23 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 41.12 1r42 h LEU 240 CO 0.10 1.16 0.23 -0.74 -0.13 0.00 0.00 178.44 179.06 1r42 h HIS 241 N 0.40 0.55 -0.29 1.25 2.76 0.71 -0.67 115.15 119.86 1r42 h HIS 241 Ca 0.01 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.08 1r42 h HIS 241 Cb 1.03 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.80 1r42 h HIS 241 CO 0.08 0.41 -0.22 0.00 -1.30 0.00 0.00 177.93 176.91 1r42 h ALA 242 N 1.09 1.08 -0.10 5.26 0.00 -0.69 0.88 119.26 126.78 1r42 h ALA 242 Ca 0.14 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1r42 h ALA 242 Cb 0.04 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1r42 h ALA 242 CO -0.02 0.56 -0.49 -0.92 0.00 0.00 0.00 179.25 178.38 1r42 h TYR 243 N 0.48 0.68 -0.01 0.00 3.20 -1.06 -2.50 116.97 117.77 1r42 h TYR 243 Ca 0.07 -0.30 -0.19 0.00 3.14 0.00 0.00 58.73 61.45 1r42 h TYR 243 Cb 0.65 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 1r42 h TYR 243 CO 0.02 1.07 -0.84 -0.39 -1.64 0.00 0.00 178.16 176.39 1r42 h VAL 244 N 0.10 1.48 -0.28 1.81 -1.51 -1.06 -2.60 116.25 114.19 1r42 h VAL 244 Ca -0.03 -2.55 0.01 0.00 -1.23 0.00 0.00 66.70 62.90 1r42 h VAL 244 Cb 1.13 2.41 -0.01 0.00 -2.13 0.00 0.00 31.29 32.69 1r42 h VAL 244 CO 0.10 0.74 0.19 0.08 -1.23 0.00 0.00 177.57 177.45 1r42 h ARG 245 N 0.11 0.35 0.00 5.19 -0.00 -0.85 0.14 114.38 119.33 1r42 h ARG 245 Ca -0.04 -0.02 -0.19 0.00 -0.00 0.00 0.00 59.98 59.73 1r42 h ARG 245 Cb 1.45 -0.08 -0.02 0.00 -0.00 0.00 0.00 29.97 31.33 1r42 h ARG 245 CO 0.13 0.23 -0.85 0.00 -0.00 0.00 0.00 179.97 179.48 1r42 h ALA 246 N 1.83 0.57 -0.16 0.08 0.00 -1.24 -2.85 119.26 117.49 1r42 h ALA 246 Ca 0.11 -0.72 -0.20 0.00 0.00 0.00 0.00 54.91 54.09 1r42 h ALA 246 Cb -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1r42 h ALA 246 CO -0.02 0.94 -0.70 0.87 0.00 0.00 0.00 179.25 180.34 1r42 h LYS 247 N 0.07 0.69 0.00 0.00 1.79 -0.90 -2.95 116.57 115.28 1r42 h LYS 247 Ca -0.03 -0.53 -0.02 0.00 -2.18 0.00 0.00 60.65 57.89 1r42 h LYS 247 Cb 1.48 0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 32.22 1r42 h LYS 247 CO 0.12 1.14 -0.10 -0.07 -1.08 0.00 0.00 179.45 179.47 1r42 h LEU 248 N 0.49 0.00 -0.66 2.94 3.38 -0.79 -2.53 115.31 118.15 1r42 h LEU 248 Ca -0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1r42 h LEU 248 Cb 1.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1r42 h LEU 248 CO 0.14 0.10 -0.38 0.24 0.09 0.00 0.00 178.44 178.62 1r42 h MET 249 N 0.00 0.61 -0.20 1.13 2.86 -1.32 0.78 114.93 118.79 1r42 h MET 249 Ca -0.00 -0.30 -0.13 0.00 -2.06 0.00 0.00 59.70 57.20 1r42 h MET 249 Cb 0.54 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1r42 h MET 249 CO 0.01 0.89 -0.44 -0.91 1.06 0.00 0.00 176.91 177.52 1r42 h ASN 250 N 0.50 0.54 0.73 1.22 2.35 -1.46 -2.35 115.58 117.11 1r42 h ASN 250 Ca 0.05 -0.25 -0.14 0.00 -0.55 0.00 0.00 56.30 55.41 1r42 h ASN 250 Cb 0.89 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.09 1r42 h ASN 250 CO 0.08 0.91 -0.68 0.00 -1.65 0.00 0.00 177.43 176.09 1r42 h ALA 251 N 1.12 0.85 -2.12 -0.83 0.00 -1.21 -3.35 119.26 113.71 1r42 h ALA 251 Ca 0.03 -0.62 -0.55 0.00 0.00 0.00 0.00 54.91 53.77 1r42 h ALA 251 Cb 0.94 -0.11 -0.41 0.00 0.00 0.00 0.00 17.79 18.21 1r42 h ALA 251 CO 0.08 0.85 -0.91 0.66 0.00 0.00 0.00 179.25 179.92 1r42 n TYR 252 N -3.68 1.78 -1.61 0.00 4.01 0.24 -5.04 117.16 112.86 1r42 n TYR 252 Ca -0.01 -3.88 -0.57 0.00 -0.16 0.00 0.00 57.90 53.28 1r42 n TYR 252 Cb 0.68 -0.45 -0.07 0.00 -0.31 0.00 0.00 39.34 39.18 1r42 n TYR 252 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1r42 n PRO 253 N 0.47 0.66 -1.10 -0.72 -0.02 -0.89 -1.64 135.00 131.75 1r42 n PRO 253 Ca 0.27 0.24 -0.04 0.00 -2.02 0.00 0.00 63.50 61.95 1r42 n PRO 253 Cb 0.51 -1.83 -0.02 0.00 -0.02 0.00 0.00 33.50 32.15 1r42 n PRO 253 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1r42 n SER 254 N 3.04 -4.38 -0.01 2.55 7.64 -1.26 -4.87 113.62 116.34 1r42 n SER 254 Ca 0.22 0.09 0.08 0.00 1.01 0.00 0.00 58.87 60.27 1r42 n SER 254 Cb 0.11 -2.19 -0.12 0.00 -1.01 0.00 0.00 64.21 60.99 1r42 n SER 254 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1r42 n TYR 255 N -2.58 0.00 -4.82 1.43 0.53 -0.65 -4.99 117.16 106.07 1r42 n TYR 255 Ca -0.04 0.00 -0.25 0.00 -1.02 0.00 0.00 57.90 56.59 1r42 n TYR 255 Cb 0.28 -0.33 -0.16 0.00 -1.03 0.00 0.00 39.34 38.09 1r42 n TYR 255 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 1r42 s ILE 256 N -3.06 1.39 0.30 -0.72 1.01 -1.26 -4.90 121.20 113.96 1r42 s ILE 256 Ca -0.05 -0.72 -0.27 0.00 0.00 0.00 0.00 60.65 59.62 1r42 s ILE 256 Cb 0.11 -1.18 -0.10 0.00 0.01 0.00 0.00 42.46 41.30 1r42 s ILE 256 CO 0.67 0.40 0.96 -0.55 0.00 0.00 0.00 174.94 176.42 1r42 s SER 257 N -0.12 7.38 0.60 3.58 0.15 -1.26 -4.95 113.70 119.09 1r42 s SER 257 Ca 0.00 1.90 0.39 0.00 0.70 0.00 0.00 55.95 58.95 1r42 s SER 257 Cb -0.10 -2.59 1.95 0.00 -1.71 0.00 0.00 66.02 63.58 1r42 s SER 257 CO 0.01 -0.04 2.19 -0.65 1.20 0.00 0.00 173.24 175.95 1r42 h PRO 258 N 3.43 0.00 -0.01 5.44 0.11 -1.99 -2.71 132.00 136.27 1r42 h PRO 258 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1r42 h PRO 258 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1r42 h PRO 258 CO 0.66 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 178.89 1r42 n ILE 259 N -3.04 0.08 -2.70 4.15 -5.35 -1.26 -4.58 119.36 106.66 1r42 n ILE 259 Ca -0.01 -0.54 -0.21 0.00 -0.27 0.00 0.00 62.75 61.72 1r42 n ILE 259 Cb 0.17 1.01 0.04 0.00 -1.74 0.00 0.00 39.64 39.12 1r42 n ILE 259 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1r42 s GLY 260 N -0.30 1.84 0.83 3.28 0.00 -1.03 -0.84 107.32 111.10 1r42 s GLY 260 Ca 0.04 -1.44 -0.10 0.00 0.00 0.00 0.00 44.72 43.21 1r42 s GLY 260 CO 0.04 -1.14 1.11 0.00 0.00 0.00 0.00 173.10 173.11 1r42 s LEU 262 N -6.18 4.45 0.20 0.00 1.43 -0.56 -4.69 118.68 113.32 1r42 s LEU 262 Ca 0.63 1.66 -0.31 0.00 -1.03 0.00 0.00 54.13 55.08 1r42 s LEU 262 Cb -0.19 -3.49 -0.10 0.00 0.03 0.00 0.00 46.19 42.44 1r42 s LEU 262 CO 0.57 -0.11 1.53 -2.84 0.23 0.00 0.00 176.35 175.73 1r42 s PRO 263 N 0.30 4.23 0.48 1.29 0.02 -1.26 -0.92 135.00 139.14 1r42 s PRO 263 Ca 0.46 2.35 0.28 0.00 0.02 0.00 0.00 61.00 64.11 1r42 s PRO 263 Cb -0.22 -3.13 1.34 0.00 0.02 0.00 0.00 34.50 32.51 1r42 s PRO 263 CO 0.27 -0.55 1.81 0.00 -0.33 0.00 0.00 177.00 178.21 1r42 h ALA 264 N 6.13 2.67 -0.08 -1.55 0.00 -0.96 -2.50 119.26 122.97 1r42 h ALA 264 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1r42 h ALA 264 Cb 1.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1r42 h ALA 264 CO 0.86 -1.02 0.00 -2.39 0.00 0.00 0.00 179.25 176.70 1r42 n HIS 265 N -4.39 0.10 -1.02 0.00 1.44 -1.26 -4.04 115.22 106.05 1r42 n HIS 265 Ca 0.24 -0.05 0.07 0.00 -2.01 0.00 0.00 57.72 55.97 1r42 n HIS 265 Cb 1.02 0.00 0.27 0.00 0.12 0.00 0.00 29.99 31.39 1r42 n HIS 265 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1r42 n LEU 266 N -0.11 4.08 -1.11 2.39 4.77 -0.94 -4.74 117.00 121.34 1r42 n LEU 266 Ca 0.17 -3.07 0.12 0.00 -0.03 0.00 0.00 56.01 53.20 1r42 n LEU 266 Cb 0.25 -0.57 0.19 0.00 -2.33 0.00 0.00 43.42 40.96 1r42 n LEU 266 CO 0.14 0.71 0.69 0.18 -1.33 0.00 0.00 177.39 177.77 1r42 n LEU 267 N -0.47 3.34 0.00 2.23 4.77 -1.26 -4.98 117.00 120.63 1r42 n LEU 267 Ca 0.23 -1.36 0.00 0.00 -0.03 0.00 0.00 56.01 54.85 1r42 n LEU 267 Cb 0.94 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 1r42 n LEU 267 CO 0.17 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1r42 n GLY 268 N 1.47 2.41 3.59 -0.72 0.00 -1.25 -4.42 105.19 106.26 1r42 n GLY 268 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 1r42 n GLY 268 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1r42 s ASP 269 N -1.55 0.57 0.23 1.61 3.84 -1.20 -3.78 116.67 116.40 1r42 s ASP 269 Ca 0.00 -1.34 0.18 0.00 -0.00 0.00 0.00 52.55 51.39 1r42 s ASP 269 Cb 0.00 0.71 0.90 0.00 -1.38 0.00 0.00 42.92 43.15 1r42 s ASP 269 CO 0.00 -1.39 1.55 0.80 -0.00 0.00 0.00 175.17 176.13 1r42 n MET 270 N -0.54 0.12 0.00 2.11 0.00 -1.26 -3.67 117.12 113.88 1r42 n MET 270 Ca -0.02 0.54 0.00 0.00 -0.00 0.00 0.00 57.70 58.22 1r42 n MET 270 Cb 0.61 -1.83 0.00 0.00 0.00 0.00 0.00 33.22 32.00 1r42 n MET 270 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 1r42 n TRP 271 N -2.08 0.00 -0.78 1.12 8.01 -1.26 -4.97 117.44 117.48 1r42 n TRP 271 Ca -0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1r42 n TRP 271 Cb 0.08 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.38 1r42 n TRP 271 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1r42 n GLY 272 N 0.85 0.83 0.30 6.99 0.00 -1.24 -4.97 105.19 107.95 1r42 n GLY 272 Ca 0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 1r42 n GLY 272 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1r42 h ARG 273 N 0.00 1.02 -5.01 1.61 2.43 -1.92 -3.43 114.38 109.08 1r42 h ARG 273 Ca 0.00 -0.16 -0.35 0.00 -0.81 0.00 0.00 59.98 58.65 1r42 h ARG 273 Cb 0.22 -0.18 -0.21 0.00 -0.42 0.00 0.00 29.97 29.38 1r42 h ARG 273 CO 0.00 0.82 -0.76 -0.06 -1.51 0.00 0.00 179.97 178.46 1r42 s PHE 274 N -5.65 0.98 -1.19 2.20 0.40 -1.26 -3.84 117.98 109.62 1r42 s PHE 274 Ca -0.13 -0.48 0.17 0.00 -0.60 0.00 0.00 56.93 55.90 1r42 s PHE 274 Cb 0.14 -0.56 0.57 0.00 0.51 0.00 0.00 43.02 43.68 1r42 s PHE 274 CO 0.81 -0.00 1.48 0.91 0.70 0.00 0.00 175.22 179.12 1r42 n TRP 275 N 1.36 1.01 -0.36 0.36 8.01 0.04 -4.47 117.44 123.38 1r42 n TRP 275 Ca -0.22 -0.58 0.04 0.00 -1.31 0.00 0.00 57.50 55.43 1r42 n TRP 275 Cb 0.54 -0.13 0.11 0.00 -2.01 0.00 0.00 31.31 29.82 1r42 n TRP 275 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.69 177.83 1r42 h THR 276 N 3.33 0.01 0.00 -0.99 2.02 -1.84 0.20 112.91 115.64 1r42 h THR 276 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1r42 h THR 276 Cb 1.13 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1r42 h THR 276 CO 0.11 0.00 0.00 0.59 0.37 0.00 0.00 175.52 176.59 1r42 n ASN 277 N -5.58 0.00 -0.53 4.18 5.03 -1.26 -2.27 115.26 114.83 1r42 n ASN 277 Ca 0.14 -0.51 0.05 0.00 0.87 0.00 0.00 54.58 55.13 1r42 n ASN 277 Cb 0.46 -0.02 0.16 0.00 -1.02 0.00 0.00 39.78 39.37 1r42 n ASN 277 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1r42 n LEU 278 N -1.02 1.53 -0.15 3.41 4.32 0.71 -4.34 117.00 121.46 1r42 n LEU 278 Ca 0.13 -0.75 -0.09 0.00 -0.02 0.00 0.00 56.01 55.27 1r42 n LEU 278 Cb 0.07 -0.18 -0.01 0.00 -1.62 0.00 0.00 43.42 41.68 1r42 n LEU 278 CO 0.10 0.38 0.86 0.22 -1.22 0.00 0.00 177.39 177.73 1r42 h TYR 279 N 1.71 0.73 0.00 -1.77 3.20 -1.61 -1.36 116.97 117.86 1r42 h TYR 279 Ca 0.00 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.75 1r42 h TYR 279 Cb 0.39 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.45 1r42 h TYR 279 CO 0.18 0.69 -0.13 0.77 -1.64 0.00 0.00 178.16 178.03 1r42 h SER 280 N 0.56 0.00 0.54 -2.11 0.02 -1.87 0.11 113.55 110.79 1r42 h SER 280 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1r42 h SER 280 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1r42 h SER 280 CO 0.00 0.13 -0.90 0.18 -1.14 0.00 0.00 176.83 175.09 1r42 n LEU 281 N -3.75 0.63 0.00 5.07 4.32 -1.09 -4.45 117.00 117.73 1r42 n LEU 281 Ca -0.02 0.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 1r42 n LEU 281 Cb 0.23 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 41.91 1r42 n LEU 281 CO 0.31 0.02 0.02 0.35 -1.22 0.00 0.00 177.39 176.87 1r42 n THR 282 N -1.98 0.00 -1.61 -5.08 -2.24 -0.54 -4.72 114.28 98.11 1r42 n THR 282 Ca 0.02 -0.50 -0.56 0.00 -2.27 0.00 0.00 64.05 60.75 1r42 n THR 282 Cb 0.43 1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.59 1r42 n THR 282 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1r42 n VAL 283 N -0.92 0.27 -0.28 2.28 3.14 0.32 -4.87 118.33 118.28 1r42 n VAL 283 Ca 0.00 -0.10 0.08 0.00 -2.96 0.00 0.00 64.34 61.36 1r42 n VAL 283 Cb 0.00 -1.31 0.23 0.00 -1.06 0.00 0.00 33.84 31.70 1r42 n VAL 283 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 1r42 h PRO 284 N 8.74 0.42 -2.52 1.45 0.11 -1.92 -3.33 132.00 134.96 1r42 h PRO 284 Ca -0.39 -0.02 -0.59 0.00 0.11 0.00 0.00 66.00 65.10 1r42 h PRO 284 Cb 1.32 -0.09 -0.39 0.00 0.11 0.00 0.00 31.00 31.95 1r42 h PRO 284 CO 0.99 0.27 -0.90 -0.06 -0.21 0.00 0.00 178.00 178.09 1r42 s PHE 285 N -5.97 1.38 -0.11 0.65 0.40 -1.26 -5.00 117.98 108.07 1r42 s PHE 285 Ca -0.12 -2.35 0.18 0.00 -0.60 0.00 0.00 56.93 54.04 1r42 s PHE 285 Cb 0.22 -1.18 0.99 0.00 0.51 0.00 0.00 43.02 43.56 1r42 s PHE 285 CO 0.77 -0.79 1.51 0.41 0.70 0.00 0.00 175.22 177.82 1r42 n GLY 286 N 2.96 -0.76 0.12 4.36 0.00 -1.25 -2.20 105.19 108.40 1r42 n GLY 286 Ca 0.25 0.17 -0.18 0.00 0.00 0.00 0.00 46.02 46.26 1r42 n GLY 286 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1r42 h GLN 287 N 0.00 0.31 -6.82 1.61 7.50 -1.95 -3.46 115.11 112.31 1r42 h GLN 287 Ca 0.00 -0.53 -0.53 0.00 0.50 0.00 0.00 58.65 58.09 1r42 h GLN 287 Cb 0.25 0.20 0.07 0.00 0.05 0.00 0.00 27.48 28.05 1r42 h GLN 287 CO 0.00 1.22 0.78 0.15 -1.50 0.00 0.00 178.83 179.48 1r42 s LYS 288 N -2.63 4.21 0.08 1.46 -0.14 -0.94 -4.95 119.74 116.83 1r42 s LYS 288 Ca -0.07 2.41 -0.31 0.00 -1.36 0.00 0.00 55.97 56.64 1r42 s LYS 288 Cb 0.06 -3.05 -0.06 0.00 -1.68 0.00 0.00 37.83 33.09 1r42 s LYS 288 CO 0.88 -0.46 1.29 -2.14 -0.76 0.00 0.00 175.35 174.15 1r42 s PRO 289 N -0.93 4.38 -0.33 -1.68 0.02 -1.26 -4.99 135.00 130.21 1r42 s PRO 289 Ca 0.58 1.90 -0.29 0.00 0.02 0.00 0.00 61.00 63.21 1r42 s PRO 289 Cb -0.44 -3.33 0.01 0.00 0.02 0.00 0.00 34.50 30.77 1r42 s PRO 289 CO 0.50 -0.35 1.14 1.21 -0.33 0.00 0.00 177.00 179.16 1r42 s ASN 290 N 1.14 6.84 -0.19 2.53 2.47 -1.26 -4.95 114.94 121.53 1r42 s ASN 290 Ca 0.61 1.05 -0.41 0.00 0.42 0.00 0.00 52.86 54.54 1r42 s ASN 290 Cb -0.32 -2.54 -0.18 0.00 -1.45 0.00 0.00 41.25 36.76 1r42 s ASN 290 CO 0.29 -0.96 1.49 -0.38 -3.72 0.00 0.00 177.10 173.82 1r42 n ILE 291 N 6.03 0.11 -3.20 -5.21 5.41 -1.26 -4.93 119.36 116.31 1r42 n ILE 291 Ca 0.13 -0.02 0.01 0.00 1.00 0.00 0.00 62.75 63.86 1r42 n ILE 291 Cb 0.47 -0.75 -0.01 0.00 -0.71 0.00 0.00 39.64 38.64 1r42 n ILE 291 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1r42 s ASP 292 N 2.02 -1.31 0.00 4.38 3.68 -1.26 -5.02 116.67 119.16 1r42 s ASP 292 Ca 0.95 -0.39 0.02 0.00 2.13 0.00 0.00 52.55 55.26 1r42 s ASP 292 Cb -1.17 1.87 0.12 0.00 -1.45 0.00 0.00 42.92 42.28 1r42 s ASP 292 CO 0.63 -0.24 1.03 0.52 0.13 0.00 0.00 175.17 177.24 1r42 n VAL 293 N 4.89 0.00 0.17 1.11 0.31 -1.26 -4.19 118.33 119.36 1r42 n VAL 293 Ca 0.08 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.42 1r42 n VAL 293 Cb 0.55 -0.05 0.05 0.00 -0.91 0.00 0.00 33.84 33.48 1r42 n VAL 293 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1r42 n THR 294 N -0.53 0.00 -0.04 2.52 5.66 -1.26 -1.25 114.28 119.38 1r42 n THR 294 Ca 0.01 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.96 1r42 n THR 294 Cb 0.01 -0.79 -0.04 0.00 -1.55 0.00 0.00 70.33 67.96 1r42 n THR 294 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1r42 n ASP 295 N -0.83 3.39 0.29 1.09 8.00 -1.26 -4.41 116.55 122.82 1r42 n ASP 295 Ca 0.01 -0.04 0.18 0.00 0.71 0.00 0.00 54.79 55.65 1r42 n ASP 295 Cb 0.01 -0.09 0.81 0.00 -0.02 0.00 0.00 41.12 41.82 1r42 n ASP 295 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r42 h ALA 296 N 0.01 1.04 -0.06 2.24 0.00 -1.47 -2.15 119.26 118.87 1r42 h ALA 296 Ca -0.17 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1r42 h ALA 296 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1r42 h ALA 296 CO -0.03 0.04 -0.33 0.52 0.00 0.00 0.00 179.25 179.46 1r42 h MET 297 N 0.00 0.33 0.83 0.00 2.86 -1.63 -3.11 114.93 114.21 1r42 h MET 297 Ca -0.00 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.33 1r42 h MET 297 Cb 0.38 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 1r42 h MET 297 CO 0.00 0.92 -0.49 0.28 1.06 0.00 0.00 176.91 178.69 1r42 h VAL 298 N -0.17 0.00 0.00 -2.22 2.07 -1.62 -1.77 116.25 112.54 1r42 h VAL 298 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1r42 h VAL 298 Cb 0.98 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1r42 h VAL 298 CO 0.07 0.00 0.33 -0.78 0.02 0.00 0.00 177.57 177.21 1r42 h ASP 299 N -1.23 0.00 -0.51 0.57 1.82 -1.53 1.40 116.42 116.94 1r42 h ASP 299 Ca -0.11 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 1r42 h ASP 299 Cb 0.97 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.98 1r42 h ASP 299 CO 0.13 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.76 1r42 n GLN 300 N -2.43 2.56 -3.50 0.28 6.02 -0.91 -4.97 117.38 114.42 1r42 n GLN 300 Ca -0.01 -2.37 -0.23 0.00 -0.01 0.00 0.00 57.00 54.38 1r42 n GLN 300 Cb 0.36 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 30.18 1r42 n GLN 300 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1r42 n ALA 301 N 1.41 -2.43 -2.48 -1.58 0.00 0.48 -4.98 120.51 110.93 1r42 n ALA 301 Ca 0.20 -0.07 -0.34 0.00 0.00 0.00 0.00 53.44 53.23 1r42 n ALA 301 Cb 0.58 -4.44 -0.05 0.00 0.00 0.00 0.00 19.45 15.54 1r42 n ALA 301 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1r42 s TRP 302 N -3.46 3.53 0.27 0.00 0.52 -0.72 -5.04 118.94 114.05 1r42 s TRP 302 Ca 0.38 0.86 0.02 0.00 0.02 0.00 0.00 56.10 57.39 1r42 s TRP 302 Cb -0.10 -2.23 -0.04 0.00 -1.15 0.00 0.00 33.47 29.96 1r42 s TRP 302 CO 0.80 0.41 0.16 0.16 0.02 0.00 0.00 176.95 178.50 1r42 s ASP 303 N -2.01 1.13 0.23 2.95 1.47 -1.26 -4.84 116.67 114.34 1r42 s ASP 303 Ca 0.40 -1.52 -0.14 0.00 1.18 0.00 0.00 52.55 52.47 1r42 s ASP 303 Cb -0.13 0.38 0.29 0.00 -0.34 0.00 0.00 42.92 43.12 1r42 s ASP 303 CO 0.20 -0.88 1.58 0.00 0.68 0.00 0.00 175.17 176.75 1r42 h ALA 304 N 2.34 0.36 -0.58 2.11 0.00 -1.90 0.14 119.26 121.74 1r42 h ALA 304 Ca -0.34 0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1r42 h ALA 304 Cb 1.25 0.72 -0.06 0.00 0.00 0.00 0.00 17.79 19.70 1r42 h ALA 304 CO 0.51 -0.49 0.24 1.96 0.00 0.00 0.00 179.25 181.47 1r42 h GLN 305 N -0.03 0.44 -0.51 0.00 1.08 -1.97 -1.41 115.11 112.70 1r42 h GLN 305 Ca 0.36 -0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.45 1r42 h GLN 305 Cb 0.59 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 1r42 h GLN 305 CO -0.84 0.29 -0.02 -0.09 -0.95 0.00 0.00 178.83 177.22 1r42 h ARG 306 N 0.45 0.88 0.32 1.46 9.65 -1.44 0.77 114.38 126.48 1r42 h ARG 306 Ca 0.28 -0.26 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1r42 h ARG 306 Cb 0.28 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 1r42 h ARG 306 CO -0.25 0.89 -0.17 0.82 2.80 0.00 0.00 179.97 184.06 1r42 h ILE 307 N 0.81 0.65 0.00 1.20 2.04 -0.31 0.34 117.51 122.24 1r42 h ILE 307 Ca 0.15 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.98 1r42 h ILE 307 Cb 0.51 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1r42 h ILE 307 CO 0.03 0.00 -0.16 -0.26 0.00 0.00 0.00 178.15 177.76 1r42 h PHE 308 N -0.45 0.00 0.02 1.37 0.04 -1.20 -1.77 116.94 114.95 1r42 h PHE 308 Ca -0.04 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.52 1r42 h PHE 308 Cb 0.36 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 1r42 h PHE 308 CO -0.07 0.16 -0.95 -0.22 -0.60 0.00 0.00 178.31 176.63 1r42 h LYS 309 N 0.00 0.23 -0.10 1.51 1.63 -0.59 -0.52 116.57 118.74 1r42 h LYS 309 Ca -0.00 -0.28 -0.19 0.00 -0.85 0.00 0.00 60.65 59.33 1r42 h LYS 309 Cb 0.72 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.43 1r42 h LYS 309 CO 0.02 1.02 -0.74 1.49 -3.45 0.00 0.00 179.45 177.79 1r42 h GLU 310 N 0.12 0.51 -0.31 1.90 4.57 -0.58 -1.17 114.58 119.61 1r42 h GLU 310 Ca -0.06 -0.41 -0.04 0.00 -1.18 0.00 0.00 59.36 57.67 1r42 h GLU 310 Cb 1.60 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 30.26 1r42 h GLU 310 CO 0.15 1.04 0.05 0.00 -1.18 0.00 0.00 179.01 179.07 1r42 h ALA 311 N 0.84 0.42 -1.01 2.92 0.00 -1.26 -1.19 119.26 119.98 1r42 h ALA 311 Ca -0.04 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1r42 h ALA 311 Cb 1.33 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1r42 h ALA 311 CO 0.13 0.12 0.66 1.49 0.00 0.00 0.00 179.25 181.65 1r42 h GLU 312 N 0.35 1.26 -0.01 0.00 4.81 -0.99 -1.06 114.58 118.93 1r42 h GLU 312 Ca 0.10 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 1r42 h GLU 312 Cb 0.35 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1r42 h GLU 312 CO 0.01 0.83 -0.35 -0.22 -0.73 0.00 0.00 179.01 178.55 1r42 h LYS 313 N 1.30 0.03 -0.49 1.92 3.64 -0.83 -2.57 116.57 119.56 1r42 h LYS 313 Ca 0.39 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.74 1r42 h LYS 313 Cb -0.04 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1r42 h LYS 313 CO -0.11 0.37 0.21 0.35 -2.27 0.00 0.00 179.45 178.01 1r42 h PHE 314 N 0.02 0.73 -0.03 1.91 3.57 0.05 -2.05 116.94 121.15 1r42 h PHE 314 Ca 0.00 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1r42 h PHE 314 Cb 0.63 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 1r42 h PHE 314 CO 0.00 0.60 -0.02 0.74 -2.23 0.00 0.00 178.31 177.40 1r42 h PHE 315 N 0.65 0.07 -0.85 0.41 0.04 -1.26 -2.97 116.94 113.03 1r42 h PHE 315 Ca 0.17 -0.02 0.17 0.00 2.80 0.00 0.00 57.97 61.08 1r42 h PHE 315 Cb 0.16 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.23 1r42 h PHE 315 CO -0.00 0.48 0.56 0.28 -0.60 0.00 0.00 178.31 179.03 1r42 h VAL 316 N -0.37 0.77 0.00 -0.55 2.07 -1.48 0.25 116.25 116.93 1r42 h VAL 316 Ca 0.01 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1r42 h VAL 316 Cb 0.47 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1r42 h VAL 316 CO 0.00 0.09 -0.00 0.77 0.02 0.00 0.00 177.57 178.46 1r42 h SER 317 N 0.51 0.00 -0.25 0.57 4.64 -1.20 -1.38 113.55 116.44 1r42 h SER 317 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1r42 h SER 317 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1r42 h SER 317 CO -0.17 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.12 1r42 n VAL 318 N -3.10 1.92 -0.06 0.95 0.24 0.86 -2.80 118.33 116.34 1r42 n VAL 318 Ca -0.03 -1.69 0.00 0.00 -2.04 0.00 0.00 64.34 60.59 1r42 n VAL 318 Cb 0.09 -0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 1r42 n VAL 318 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1r42 n GLY 319 N -0.37 0.46 3.90 7.63 0.00 -0.52 -3.42 105.19 112.87 1r42 n GLY 319 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1r42 n GLY 319 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r42 s LEU 320 N 0.00 3.36 0.65 0.99 1.43 -1.04 -4.98 118.68 119.10 1r42 s LEU 320 Ca 0.00 1.06 -0.11 0.00 -1.03 0.00 0.00 54.13 54.05 1r42 s LEU 320 Cb 0.00 -4.00 -0.02 0.00 0.03 0.00 0.00 46.19 42.20 1r42 s LEU 320 CO 0.00 -0.83 1.04 -2.16 0.23 0.00 0.00 176.35 174.63 1r42 s PRO 321 N -4.98 3.31 0.90 1.29 0.04 -1.26 -3.65 135.00 130.66 1r42 s PRO 321 Ca 0.52 0.82 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 1r42 s PRO 321 Cb -0.11 -2.04 0.13 0.00 0.04 0.00 0.00 34.50 32.53 1r42 s PRO 321 CO 0.48 -0.80 1.09 -0.80 0.04 0.00 0.00 177.00 177.02 1r42 s ASN 322 N -4.03 3.31 0.82 6.66 0.01 -1.26 -4.64 114.94 115.81 1r42 s ASN 322 Ca 0.56 1.68 -0.11 0.00 -0.71 0.00 0.00 52.86 54.28 1r42 s ASN 322 Cb -0.12 -2.32 0.09 0.00 0.41 0.00 0.00 41.25 39.31 1r42 s ASN 322 CO 0.54 -2.77 1.12 -0.04 -1.51 0.00 0.00 177.10 174.44 1r42 s MET 323 N -4.83 1.79 0.62 -0.60 -1.94 -1.26 -4.98 119.30 108.10 1r42 s MET 323 Ca 0.64 1.34 -0.11 0.00 -1.71 0.00 0.00 55.69 55.85 1r42 s MET 323 Cb -0.19 -1.83 -0.04 0.00 2.01 0.00 0.00 34.83 34.78 1r42 s MET 323 CO 0.58 -2.02 1.02 0.95 -0.01 0.00 0.00 175.02 175.54 1r42 s THR 324 N -2.76 4.63 0.04 2.05 -4.23 -1.26 -4.97 115.64 109.13 1r42 s THR 324 Ca 0.64 0.80 -0.30 0.00 -1.18 0.00 0.00 61.69 61.65 1r42 s THR 324 Cb -0.20 -3.84 -0.06 0.00 1.34 0.00 0.00 72.50 69.75 1r42 s THR 324 CO 0.56 -1.09 1.28 -1.58 -0.54 0.00 0.00 174.62 173.25 1r42 s GLN 325 N -5.17 4.36 0.00 3.99 -0.44 -1.26 -1.56 119.66 119.59 1r42 s GLN 325 Ca 0.55 1.86 0.00 0.00 -2.50 0.00 0.00 55.36 55.27 1r42 s GLN 325 Cb -0.11 -3.42 0.00 0.00 -1.64 0.00 0.00 33.01 27.84 1r42 s GLN 325 CO 0.53 -0.40 0.00 0.41 0.50 0.00 0.00 175.29 176.33 1r42 n GLY 326 N 3.40 3.07 0.07 2.59 0.00 -1.26 -4.80 105.19 108.26 1r42 n GLY 326 Ca 0.11 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 1r42 n GLY 326 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1r42 h PHE 327 N 0.00 0.10 -0.07 1.61 3.04 -1.44 1.43 116.94 121.61 1r42 h PHE 327 Ca 0.00 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.88 1r42 h PHE 327 Cb 0.00 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.47 1r42 h PHE 327 CO 0.00 0.18 -0.26 -1.49 -2.02 0.00 0.00 178.31 174.73 1r42 h TRP 328 N -0.01 0.13 0.12 0.41 4.06 -1.86 -1.45 115.95 117.36 1r42 h TRP 328 Ca 0.02 -0.02 -0.32 0.00 2.06 0.00 0.00 58.89 60.63 1r42 h TRP 328 Cb 0.12 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.23 1r42 h TRP 328 CO -0.03 0.37 -1.64 1.49 -3.56 0.00 0.00 178.44 175.07 1r42 h GLU 329 N 0.11 0.25 0.00 0.49 4.57 -1.75 -3.38 114.58 114.87 1r42 h GLU 329 Ca 0.02 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 1r42 h GLU 329 Cb 0.52 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1r42 h GLU 329 CO 0.04 1.09 -0.89 0.09 -1.18 0.00 0.00 179.01 178.16 1r42 n ASN 330 N -3.43 0.65 -4.77 1.04 5.03 0.49 -4.94 115.26 109.31 1r42 n ASN 330 Ca -0.20 -0.05 -0.38 0.00 0.87 0.00 0.00 54.58 54.82 1r42 n ASN 330 Cb 1.05 0.56 -0.03 0.00 -1.02 0.00 0.00 39.78 40.33 1r42 n ASN 330 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1r42 s SER 331 N -4.12 6.76 -0.71 6.41 0.01 -0.55 -4.94 113.70 116.56 1r42 s SER 331 Ca 0.04 2.19 -0.08 0.00 1.31 0.00 0.00 55.95 59.42 1r42 s SER 331 Cb 0.14 -2.60 0.19 0.00 0.21 0.00 0.00 66.02 63.95 1r42 s SER 331 CO 0.77 -0.50 0.58 -0.32 0.41 0.00 0.00 173.24 174.18 1r42 s MET 332 N -2.23 3.01 0.00 12.44 1.75 -1.09 -4.90 119.30 128.28 1r42 s MET 332 Ca 0.55 -2.51 0.29 0.00 -1.25 0.00 0.00 55.69 52.78 1r42 s MET 332 Cb -0.27 -4.03 1.36 0.00 2.84 0.00 0.00 34.83 34.73 1r42 s MET 332 CO 0.34 -1.22 1.92 1.28 -0.65 0.00 0.00 175.02 176.69 1r42 n LEU 333 N 3.68 0.77 -3.91 4.11 4.32 -1.26 -1.56 117.00 123.16 1r42 n LEU 333 Ca 0.10 -0.22 -0.10 0.00 -0.02 0.00 0.00 56.01 55.77 1r42 n LEU 333 Cb 0.42 -0.04 -0.10 0.00 -1.62 0.00 0.00 43.42 42.07 1r42 n LEU 333 CO 0.34 0.13 -0.22 0.42 -1.22 0.00 0.00 177.39 176.84 1r42 s THR 334 N -2.12 0.11 -0.03 -5.08 -4.23 -1.07 -2.26 115.64 100.96 1r42 s THR 334 Ca 0.39 -0.87 -0.30 0.00 -1.18 0.00 0.00 61.69 59.72 1r42 s THR 334 Cb 0.21 -0.58 -0.05 0.00 1.34 0.00 0.00 72.50 73.43 1r42 s THR 334 CO 0.38 -0.48 1.36 -0.62 -0.54 0.00 0.00 174.62 174.72 1r42 s ASP 335 N -1.67 6.89 0.00 3.99 3.68 -1.26 -4.76 116.67 123.53 1r42 s ASP 335 Ca -0.11 2.02 0.10 0.00 2.13 0.00 0.00 52.55 56.69 1r42 s ASP 335 Cb -0.06 -2.56 0.55 0.00 -1.45 0.00 0.00 42.92 39.41 1r42 s ASP 335 CO -0.01 -0.71 1.11 -2.65 0.13 0.00 0.00 175.17 173.04 1r42 n PRO 336 N 5.54 0.24 0.00 4.34 -0.02 -1.26 -4.96 135.00 138.87 1r42 n PRO 336 Ca 0.13 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1r42 n PRO 336 Cb 0.44 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 1r42 n PRO 336 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r42 n GLY 337 N -0.41 0.31 3.84 -1.23 0.00 -1.26 -4.68 105.19 101.76 1r42 n GLY 337 Ca 0.06 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 1r42 n GLY 337 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r42 s ASN 338 N -4.00 6.83 0.00 1.61 6.03 -1.26 -3.74 114.94 120.41 1r42 s ASN 338 Ca 0.00 1.44 0.00 0.00 -1.03 0.00 0.00 52.86 53.27 1r42 s ASN 338 Cb 0.00 -2.44 0.00 0.00 -3.03 0.00 0.00 41.25 35.78 1r42 s ASN 338 CO 0.00 -0.27 0.00 0.52 -2.03 0.00 0.00 177.10 175.32 1r42 n VAL 339 N -0.51 0.00 -2.62 3.54 0.31 -1.26 -4.80 118.33 112.99 1r42 n VAL 339 Ca 0.05 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.26 1r42 n VAL 339 Cb 0.53 -0.17 0.03 0.00 -0.91 0.00 0.00 33.84 33.32 1r42 n VAL 339 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r42 n GLN 340 N -1.98 1.71 -1.64 5.55 1.13 -1.25 -5.06 117.38 115.86 1r42 n GLN 340 Ca 0.00 -3.55 -0.43 0.00 -1.94 0.00 0.00 57.00 51.08 1r42 n GLN 340 Cb 0.02 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 28.86 1r42 n GLN 340 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1r42 n LYS 341 N -0.20 1.68 -3.51 -1.09 2.85 -1.26 -4.56 118.16 112.07 1r42 n LYS 341 Ca 0.16 0.59 -0.11 0.00 -1.05 0.00 0.00 58.31 57.89 1r42 n LYS 341 Cb 0.79 -2.07 -0.03 0.00 -0.65 0.00 0.00 35.03 33.07 1r42 n LYS 341 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1r42 s ALA 342 N -1.10 -1.33 -0.07 0.58 0.00 -1.26 -1.04 121.76 117.54 1r42 s ALA 342 Ca 0.58 0.27 -0.27 0.00 0.00 0.00 0.00 51.96 52.54 1r42 s ALA 342 Cb -0.63 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 1r42 s ALA 342 CO 0.61 -0.72 0.87 0.14 0.00 0.00 0.00 175.76 176.65 1r42 s VAL 343 N -3.76 4.91 -2.46 0.00 -7.23 -1.07 -4.94 120.40 105.84 1r42 s VAL 343 Ca 0.02 1.78 0.23 0.00 -1.81 0.00 0.00 61.98 62.19 1r42 s VAL 343 Cb 0.00 -4.19 0.42 0.00 0.56 0.00 0.00 36.38 33.17 1r42 s VAL 343 CO -0.13 0.14 1.45 0.00 -0.31 0.00 0.00 175.10 176.25 1r42 n HIS 345 N 1.02 2.62 -1.73 0.00 8.25 -1.26 -4.18 115.22 119.93 1r42 n HIS 345 Ca 0.18 -0.12 -0.42 0.00 -0.26 0.00 0.00 57.72 57.09 1r42 n HIS 345 Cb 0.50 -2.72 -0.02 0.00 1.12 0.00 0.00 29.99 28.87 1r42 n HIS 345 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1r42 n PRO 346 N 5.50 2.55 -3.70 -0.41 -0.02 -1.26 -4.73 135.00 132.93 1r42 n PRO 346 Ca 0.18 0.91 -0.14 0.00 -2.02 0.00 0.00 63.50 62.43 1r42 n PRO 346 Cb 0.37 -2.66 -0.09 0.00 -0.02 0.00 0.00 33.50 31.10 1r42 n PRO 346 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1r42 s THR 347 N -0.03 0.01 -0.18 3.45 -4.23 -0.31 -5.03 115.64 109.32 1r42 s THR 347 Ca 0.65 -0.11 -0.06 0.00 -1.18 0.00 0.00 61.69 60.99 1r42 s THR 347 Cb -0.53 -0.70 -0.03 0.00 1.34 0.00 0.00 72.50 72.58 1r42 s THR 347 CO 0.49 -0.06 0.01 0.00 -0.54 0.00 0.00 174.62 174.52 1r42 s ALA 348 N -0.31 3.15 -0.06 3.99 0.00 -1.26 -1.10 121.76 126.17 1r42 s ALA 348 Ca -0.05 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.08 1r42 s ALA 348 Cb -0.03 -1.77 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 1r42 s ALA 348 CO 0.03 0.06 -0.12 -1.58 0.00 0.00 0.00 175.76 174.14 1r42 s TRP 349 N 0.62 2.77 -0.56 0.00 0.52 0.32 -4.99 118.94 117.62 1r42 s TRP 349 Ca 0.00 -0.13 0.04 0.00 0.02 0.00 0.00 56.10 56.04 1r42 s TRP 349 Cb -0.14 -1.66 0.15 0.00 -1.15 0.00 0.00 33.47 30.67 1r42 s TRP 349 CO 0.02 0.21 0.34 0.34 0.02 0.00 0.00 176.95 177.88 1r42 s ASP 350 N -0.71 4.20 0.50 2.95 3.68 -1.26 -1.55 116.67 124.48 1r42 s ASP 350 Ca 0.11 -3.25 0.30 0.00 2.13 0.00 0.00 52.55 51.84 1r42 s ASP 350 Cb -0.11 -1.46 1.05 0.00 -1.45 0.00 0.00 42.92 40.95 1r42 s ASP 350 CO 0.01 -0.18 1.86 -0.07 0.13 0.00 0.00 175.17 176.92 1r42 h LEU 351 N 6.10 0.00 0.00 -1.34 4.07 -1.66 -3.49 115.31 118.98 1r42 h LEU 351 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1r42 h LEU 351 Cb 0.85 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.59 1r42 h LEU 351 CO 0.64 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.61 1r42 n GLY 352 N 0.36 1.71 4.20 0.83 0.00 -1.24 -3.95 105.19 107.10 1r42 n GLY 352 Ca 0.02 -2.18 -0.29 0.00 0.00 0.00 0.00 46.02 43.56 1r42 n GLY 352 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1r42 n LYS 353 N -0.54 -0.93 -1.27 1.61 3.00 -1.26 0.25 118.16 119.02 1r42 n LYS 353 Ca 0.00 0.09 -0.09 0.00 -0.00 0.00 0.00 58.31 58.30 1r42 n LYS 353 Cb 0.00 -3.38 -0.04 0.00 0.00 0.00 0.00 35.03 31.61 1r42 n LYS 353 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1r42 n GLY 354 N -2.38 1.03 3.47 3.14 0.00 -1.26 -4.98 105.19 104.21 1r42 n GLY 354 Ca -0.28 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 1r42 n GLY 354 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r42 s ASP 355 N -2.57 6.12 -0.04 1.61 3.68 0.14 -5.05 116.67 120.56 1r42 s ASP 355 Ca 0.00 -0.82 0.06 0.00 2.13 0.00 0.00 52.55 53.92 1r42 s ASP 355 Cb 0.00 -2.17 -0.02 0.00 -1.45 0.00 0.00 42.92 39.29 1r42 s ASP 355 CO 0.00 -0.45 -0.23 -0.36 0.13 0.00 0.00 175.17 174.26 1r42 s PHE 356 N 1.75 2.45 0.01 -5.34 0.40 -1.26 -1.48 117.98 114.52 1r42 s PHE 356 Ca 0.06 -0.51 -0.15 0.00 -0.60 0.00 0.00 56.93 55.73 1r42 s PHE 356 Cb -0.19 -1.57 0.03 0.00 0.51 0.00 0.00 43.02 41.80 1r42 s PHE 356 CO 0.11 -0.08 0.33 1.03 0.70 0.00 0.00 175.22 177.31 1r42 s ARG 357 N -0.42 0.75 -0.09 0.44 0.52 -0.60 -4.16 118.95 115.40 1r42 s ARG 357 Ca 0.04 -0.29 0.03 0.00 -0.52 0.00 0.00 55.73 54.99 1r42 s ARG 357 Cb -0.12 0.33 -0.01 0.00 0.52 0.00 0.00 34.95 35.67 1r42 s ARG 357 CO 0.01 -0.23 -0.19 0.42 0.02 0.00 0.00 175.30 175.34 1r42 s ILE 358 N -1.82 2.54 -0.24 1.52 1.01 -1.26 0.12 121.20 123.06 1r42 s ILE 358 Ca -0.10 -0.87 -0.03 0.00 0.00 0.00 0.00 60.65 59.66 1r42 s ILE 358 Cb -0.03 -2.00 0.01 0.00 0.01 0.00 0.00 42.46 40.45 1r42 s ILE 358 CO 0.02 0.55 -0.05 -0.22 0.00 0.00 0.00 174.94 175.24 1r42 s LEU 359 N 0.09 3.13 -0.28 2.97 2.96 -0.26 -2.66 118.68 124.63 1r42 s LEU 359 Ca -0.09 -0.71 -0.18 0.00 -0.22 0.00 0.00 54.13 52.94 1r42 s LEU 359 Cb -0.15 -1.70 0.11 0.00 0.50 0.00 0.00 46.19 44.95 1r42 s LEU 359 CO 0.06 -0.10 0.84 -0.32 -1.32 0.00 0.00 176.35 175.51 1r42 s MET 360 N 1.39 0.57 -1.21 1.98 1.75 -0.60 -1.17 119.30 122.01 1r42 s MET 360 Ca 0.02 0.91 -0.14 0.00 -1.25 0.00 0.00 55.69 55.23 1r42 s MET 360 Cb -0.16 0.15 0.16 0.00 2.84 0.00 0.00 34.83 37.82 1r42 s MET 360 CO -0.04 -0.11 1.45 0.00 -0.65 0.00 0.00 175.02 175.67 1r42 s THR 362 N 1.83 2.61 0.15 0.00 2.01 -0.96 -4.69 115.64 116.59 1r42 s THR 362 Ca 0.43 0.45 0.08 0.00 0.31 0.00 0.00 61.69 62.97 1r42 s THR 362 Cb -0.02 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 1r42 s THR 362 CO 0.00 0.04 -0.10 -0.54 -0.69 0.00 0.00 174.62 173.34 1r42 s LYS 363 N 0.82 2.07 -1.49 4.92 1.02 -1.26 -4.73 119.74 121.08 1r42 s LYS 363 Ca 0.68 -1.16 -0.13 0.00 0.02 0.00 0.00 55.97 55.38 1r42 s LYS 363 Cb -0.44 -2.22 0.01 0.00 -0.52 0.00 0.00 37.83 34.66 1r42 s LYS 363 CO 0.34 0.47 2.40 0.28 -0.92 0.00 0.00 175.35 177.92 1r42 n VAL 364 N 0.35 3.65 -4.46 3.17 0.31 -1.26 -4.62 118.33 115.46 1r42 n VAL 364 Ca -0.12 -2.90 -0.22 0.00 -0.01 0.00 0.00 64.34 61.09 1r42 n VAL 364 Cb 0.54 -2.61 -0.10 0.00 -0.91 0.00 0.00 33.84 30.76 1r42 n VAL 364 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1r42 s THR 365 N 2.97 1.68 0.13 2.52 2.01 -1.26 -4.72 115.64 118.96 1r42 s THR 365 Ca 0.52 -2.11 -0.13 0.00 0.31 0.00 0.00 61.69 60.29 1r42 s THR 365 Cb 0.15 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 1r42 s THR 365 CO -0.08 -0.23 1.52 -0.03 -0.69 0.00 0.00 174.62 175.11 1r42 h MET 366 N 2.20 0.84 -0.90 4.92 1.85 -1.85 -2.68 114.93 119.30 1r42 h MET 366 Ca -0.41 -0.35 0.09 0.00 -0.61 0.00 0.00 59.70 58.43 1r42 h MET 366 Cb 1.24 -0.03 -0.06 0.00 0.43 0.00 0.00 31.60 33.17 1r42 h MET 366 CO 0.69 0.98 0.58 -0.44 -0.40 0.00 0.00 176.91 178.32 1r42 h ASP 367 N 0.65 0.83 1.65 1.39 3.32 -1.96 -1.45 116.42 120.86 1r42 h ASP 367 Ca 0.10 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1r42 h ASP 367 Cb 0.71 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1r42 h ASP 367 CO 0.05 0.50 -0.09 0.44 -1.72 0.00 0.00 179.24 178.42 1r42 h ASP 368 N 0.92 0.00 0.58 6.45 5.19 -1.79 -1.99 116.42 125.79 1r42 h ASP 368 Ca 0.41 -0.01 -0.18 0.00 -0.62 0.00 0.00 57.03 56.63 1r42 h ASP 368 Cb 0.37 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 1r42 h ASP 368 CO -0.17 0.01 -0.81 0.15 -3.12 0.00 0.00 179.24 175.29 1r42 h PHE 369 N 0.00 0.24 0.14 4.55 3.04 -0.94 -2.27 116.94 121.69 1r42 h PHE 369 Ca 0.00 -0.12 -0.29 0.00 3.98 0.00 0.00 57.97 61.53 1r42 h PHE 369 Cb 0.87 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.35 1r42 h PHE 369 CO 0.00 0.90 -1.39 -0.07 -2.02 0.00 0.00 178.31 175.74 1r42 h LEU 370 N 0.10 0.45 -1.09 0.59 3.38 -1.32 -3.15 115.31 114.26 1r42 h LEU 370 Ca -0.03 -0.54 -0.08 0.00 0.09 0.00 0.00 57.88 57.32 1r42 h LEU 370 Cb 1.41 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1r42 h LEU 370 CO 0.12 1.43 -0.25 0.74 0.09 0.00 0.00 178.44 180.57 1r42 h THR 371 N 0.08 1.25 -0.66 0.22 2.02 -1.37 -0.95 112.91 113.50 1r42 h THR 371 Ca -0.19 -1.18 -0.07 0.00 0.77 0.00 0.00 66.41 65.74 1r42 h THR 371 Cb 2.01 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 69.79 1r42 h THR 371 CO 0.19 0.36 0.15 0.00 0.37 0.00 0.00 175.52 176.60 1r42 h ALA 372 N 1.44 0.87 -0.11 6.16 0.00 -1.46 0.32 119.26 126.49 1r42 h ALA 372 Ca 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1r42 h ALA 372 Cb 0.61 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1r42 h ALA 372 CO 0.04 0.59 -0.02 0.45 0.00 0.00 0.00 179.25 180.31 1r42 h HIS 373 N 0.98 0.24 0.13 0.00 -0.00 -1.42 0.39 115.15 115.47 1r42 h HIS 373 Ca 0.20 -0.05 0.02 0.00 -0.00 0.00 0.00 60.37 60.54 1r42 h HIS 373 Cb 0.38 -0.06 -0.04 0.00 -0.00 0.00 0.00 27.41 27.69 1r42 h HIS 373 CO 0.03 0.51 -0.33 1.25 -0.00 0.00 0.00 177.93 179.39 1r42 h HIS 374 N -0.10 -0.91 -0.74 2.45 6.17 -0.96 0.11 115.15 121.17 1r42 h HIS 374 Ca 0.03 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.08 1r42 h HIS 374 Cb 0.43 0.38 -0.03 0.00 2.52 0.00 0.00 27.41 30.72 1r42 h HIS 374 CO 0.05 -0.44 0.28 0.93 0.71 0.00 0.00 177.93 179.46 1r42 h GLU 375 N -0.57 1.10 0.00 5.26 4.39 -0.33 0.47 114.58 124.90 1r42 h GLU 375 Ca 0.03 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1r42 h GLU 375 Cb 0.59 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1r42 h GLU 375 CO -0.19 0.90 0.00 1.98 -1.16 0.00 0.00 179.01 180.54 1r42 h MET 376 N 1.07 0.00 -0.49 2.33 4.05 0.18 -2.02 114.93 120.06 1r42 h MET 376 Ca 0.25 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.55 1r42 h MET 376 Cb 0.22 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 1r42 h MET 376 CO -0.02 0.00 -0.15 0.78 0.23 0.00 0.00 176.91 177.75 1r42 h GLY 377 N 2.05 1.04 1.02 1.39 0.00 0.15 -2.37 103.07 106.36 1r42 h GLY 377 Ca 0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 47.33 46.41 1r42 h GLY 377 CO 0.00 0.81 0.32 0.45 0.00 0.00 0.00 176.54 178.12 1r42 h HIS 378 N 0.81 1.08 -0.16 5.60 -0.00 -1.16 -2.23 115.15 119.10 1r42 h HIS 378 Ca 0.12 -0.07 -0.00 0.00 -0.00 0.00 0.00 60.37 60.42 1r42 h HIS 378 Cb 0.72 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.79 1r42 h HIS 378 CO 0.05 0.82 0.09 0.82 -0.00 0.00 0.00 177.93 179.71 1r42 h ILE 379 N 1.04 1.09 -0.63 2.45 1.08 -1.37 -0.07 117.51 121.09 1r42 h ILE 379 Ca 0.25 -0.23 0.11 0.00 -0.39 0.00 0.00 64.86 64.61 1r42 h ILE 379 Cb 0.17 0.94 -0.09 0.00 -3.07 0.00 0.00 36.82 34.78 1r42 h ILE 379 CO -0.03 0.08 0.17 -0.61 -0.69 0.00 0.00 178.15 177.08 1r42 h GLN 380 N 0.18 0.31 -0.66 2.37 5.75 -1.24 0.38 115.11 122.19 1r42 h GLN 380 Ca 0.06 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.49 1r42 h GLN 380 Cb 0.05 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 1r42 h GLN 380 CO -0.01 0.20 0.23 -0.92 -2.65 0.00 0.00 178.83 175.68 1r42 h TYR 381 N 0.32 1.03 -0.79 3.99 -0.00 -1.03 0.12 116.97 120.61 1r42 h TYR 381 Ca 0.33 -0.09 -0.05 0.00 -0.00 0.00 0.00 58.73 58.92 1r42 h TYR 381 Cb 0.48 -0.30 -0.03 0.00 -0.00 0.00 0.00 36.73 36.87 1r42 h TYR 381 CO -0.22 0.83 0.30 -0.44 -0.00 0.00 0.00 178.16 178.63 1r42 h ASP 382 N 0.94 1.10 -0.33 -2.11 3.32 0.12 -2.96 116.42 116.49 1r42 h ASP 382 Ca 0.21 -0.18 -0.13 0.00 0.02 0.00 0.00 57.03 56.96 1r42 h ASP 382 Cb 0.26 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1r42 h ASP 382 CO -0.01 0.97 -0.32 0.24 -1.72 0.00 0.00 179.24 178.41 1r42 h MET 383 N 1.15 0.80 -0.47 3.56 2.86 0.01 -2.74 114.93 120.09 1r42 h MET 383 Ca 0.26 -0.42 0.04 0.00 -2.06 0.00 0.00 59.70 57.53 1r42 h MET 383 Cb 0.23 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1r42 h MET 383 CO -0.02 1.05 0.32 0.00 1.06 0.00 0.00 176.91 179.31 1r42 h ALA 384 N 0.73 1.85 -0.33 6.32 0.00 -0.83 -2.58 119.26 124.43 1r42 h ALA 384 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1r42 h ALA 384 Cb 0.90 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1r42 h ALA 384 CO 0.08 0.08 0.00 2.48 0.00 0.00 0.00 179.25 181.89 1r42 n TYR 385 N -4.48 1.01 0.30 0.00 -0.00 -1.13 -4.04 117.16 108.83 1r42 n TYR 385 Ca 0.06 -0.79 0.15 0.00 -0.00 0.00 0.00 57.90 57.32 1r42 n TYR 385 Cb 0.19 -0.29 0.93 0.00 -0.00 0.00 0.00 39.34 40.17 1r42 n TYR 385 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1r42 h ALA 386 N 2.18 1.50 0.00 -3.48 0.00 -1.14 -2.21 119.26 116.11 1r42 h ALA 386 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r42 h ALA 386 Cb 1.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1r42 h ALA 386 CO 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 179.25 179.44 1r42 n ALA 387 N -2.31 2.38 -1.54 0.00 0.00 -1.26 -4.85 120.51 112.93 1r42 n ALA 387 Ca -0.03 -0.09 -0.32 0.00 0.00 0.00 0.00 53.44 52.99 1r42 n ALA 387 Cb 0.08 -1.45 0.04 0.00 0.00 0.00 0.00 19.45 18.12 1r42 n ALA 387 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1r42 s GLN 388 N -3.03 2.94 0.70 0.00 -1.52 -0.83 -4.97 119.66 112.94 1r42 s GLN 388 Ca 0.13 1.21 -0.15 0.00 -1.95 0.00 0.00 55.36 54.59 1r42 s GLN 388 Cb 0.17 -1.98 0.02 0.00 -0.22 0.00 0.00 33.01 31.00 1r42 s GLN 388 CO 0.56 -1.12 1.19 -1.25 -0.25 0.00 0.00 175.29 174.42 1r42 s PRO 389 N -4.38 2.35 0.13 2.91 0.04 -1.26 -4.77 135.00 130.02 1r42 s PRO 389 Ca 0.63 1.71 -0.15 0.00 0.04 0.00 0.00 61.00 63.23 1r42 s PRO 389 Cb -0.17 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 32.57 1r42 s PRO 389 CO 0.44 -1.66 1.02 0.34 0.04 0.00 0.00 177.00 177.17 1r42 n PHE 390 N -2.52 -0.12 0.31 0.56 7.35 -1.26 -0.18 117.46 121.59 1r42 n PHE 390 Ca 0.13 0.81 0.12 0.00 -0.76 0.00 0.00 57.45 57.75 1r42 n PHE 390 Cb 0.50 -0.66 0.53 0.00 0.35 0.00 0.00 39.48 40.20 1r42 n PHE 390 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1r42 n LEU 391 N -4.90 0.64 -1.06 -2.13 4.77 -1.26 -2.22 117.00 110.82 1r42 n LEU 391 Ca 0.04 0.70 0.10 0.00 -0.03 0.00 0.00 56.01 56.83 1r42 n LEU 391 Cb 0.22 -0.67 0.22 0.00 -2.33 0.00 0.00 43.42 40.86 1r42 n LEU 391 CO -0.10 -0.71 0.69 0.18 -1.33 0.00 0.00 177.39 176.12 1r42 n LEU 392 N -2.25 3.38 -4.47 2.23 4.32 0.74 -4.80 117.00 116.16 1r42 n LEU 392 Ca 0.01 -1.67 -0.44 0.00 -0.02 0.00 0.00 56.01 53.90 1r42 n LEU 392 Cb 0.16 -0.29 -0.02 0.00 -1.62 0.00 0.00 43.42 41.66 1r42 n LEU 392 CO 0.16 0.77 1.17 -0.13 -1.22 0.00 0.00 177.39 178.14 1r42 s ARG 393 N -1.24 3.76 0.11 3.23 0.52 -0.94 -0.64 118.95 123.75 1r42 s ARG 393 Ca 0.37 -1.97 -0.25 0.00 -0.52 0.00 0.00 55.73 53.35 1r42 s ARG 393 Cb 0.21 -5.01 0.08 0.00 0.52 0.00 0.00 34.95 30.75 1r42 s ARG 393 CO 0.28 -1.82 1.09 1.21 0.02 0.00 0.00 175.30 176.08 1r42 s ASN 394 N 3.50 -0.07 0.73 0.23 3.04 -1.26 -4.96 114.94 116.16 1r42 s ASN 394 Ca 0.37 -0.43 -0.14 0.00 0.04 0.00 0.00 52.86 52.70 1r42 s ASN 394 Cb -0.04 0.39 0.04 0.00 -1.54 0.00 0.00 41.25 40.11 1r42 s ASN 394 CO -0.06 -0.76 1.15 -0.83 -3.04 0.00 0.00 177.10 173.56 1r42 s GLY 395 N -3.21 2.09 0.27 1.21 0.00 -1.26 -2.48 107.32 103.94 1r42 s GLY 395 Ca 0.18 0.63 -0.02 0.00 0.00 0.00 0.00 44.72 45.50 1r42 s GLY 395 CO 0.02 1.01 1.65 0.00 0.00 0.00 0.00 173.10 175.77 1r42 h ALA 396 N -0.50 1.04 -2.87 3.20 0.00 -1.92 -3.40 119.26 114.81 1r42 h ALA 396 Ca -0.46 0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.46 1r42 h ALA 396 Cb 1.26 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 19.31 1r42 h ALA 396 CO 0.51 -0.43 -0.21 0.54 0.00 0.00 0.00 179.25 179.66 1r42 s ASN 397 N -5.15 0.59 0.56 0.00 6.03 -1.26 -4.48 114.94 111.24 1r42 s ASN 397 Ca -0.13 -1.34 0.37 0.00 -1.03 0.00 0.00 52.86 50.73 1r42 s ASN 397 Cb 0.24 0.62 1.48 0.00 -3.03 0.00 0.00 41.25 40.56 1r42 s ASN 397 CO 0.76 -1.22 1.70 1.05 -2.03 0.00 0.00 177.10 177.36 1r42 h GLU 398 N 2.19 0.00 -0.31 3.55 4.11 -1.84 -1.74 114.58 120.54 1r42 h GLU 398 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1r42 h GLU 398 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1r42 h GLU 398 CO 0.39 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.88 1r42 n GLY 399 N -1.75 1.50 0.11 1.06 0.00 -1.26 -4.63 105.19 100.23 1r42 n GLY 399 Ca 0.26 -0.71 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 1r42 n GLY 399 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1r42 h PHE 400 N 4.36 0.47 -0.08 1.61 -1.00 -1.68 -3.28 116.94 117.34 1r42 h PHE 400 Ca 0.00 -0.31 0.04 0.00 2.81 0.00 0.00 57.97 60.50 1r42 h PHE 400 Cb 0.95 -0.03 -0.04 0.00 3.61 0.00 0.00 35.95 40.44 1r42 h PHE 400 CO 0.20 1.20 -0.17 0.45 -1.61 0.00 0.00 178.31 178.38 1r42 h HIS 401 N -0.39 -0.44 -0.03 -0.55 3.86 -1.82 -0.02 115.15 115.77 1r42 h HIS 401 Ca -0.10 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.05 1r42 h HIS 401 Cb 1.44 0.21 -0.01 0.00 1.06 0.00 0.00 27.41 30.10 1r42 h HIS 401 CO 0.19 -0.24 -0.38 0.93 0.86 0.00 0.00 177.93 179.29 1r42 h GLU 402 N -0.24 0.06 -0.65 2.45 4.39 -1.87 -0.11 114.58 118.61 1r42 h GLU 402 Ca 0.08 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 1r42 h GLU 402 Cb 0.35 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1r42 h GLU 402 CO -0.22 0.43 0.20 0.00 -1.16 0.00 0.00 179.01 178.26 1r42 h ALA 403 N 1.57 0.85 -0.56 3.43 0.00 -1.47 0.89 119.26 123.97 1r42 h ALA 403 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1r42 h ALA 403 Cb 0.70 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1r42 h ALA 403 CO 0.05 0.53 0.16 0.28 0.00 0.00 0.00 179.25 180.28 1r42 h VAL 404 N 0.94 1.24 -0.29 0.00 2.07 -0.34 -2.11 116.25 117.76 1r42 h VAL 404 Ca 0.21 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1r42 h VAL 404 Cb 0.30 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1r42 h VAL 404 CO -0.01 0.31 0.08 1.23 0.02 0.00 0.00 177.57 179.20 1r42 h GLY 405 N 0.79 0.50 1.60 2.17 0.00 -0.65 -3.07 103.07 104.42 1r42 h GLY 405 Ca 0.18 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1r42 h GLY 405 CO -0.00 0.29 0.17 0.83 0.00 0.00 0.00 176.54 177.82 1r42 h GLU 406 N 0.31 0.52 -0.63 4.80 4.39 -0.75 -2.38 114.58 120.84 1r42 h GLU 406 Ca 0.09 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.74 1r42 h GLU 406 Cb 0.27 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 1r42 h GLU 406 CO -0.00 0.42 0.42 0.82 -1.16 0.00 0.00 179.01 179.51 1r42 h ILE 407 N 0.53 1.15 -0.47 3.13 1.08 -1.28 -2.67 117.51 118.98 1r42 h ILE 407 Ca 0.13 -0.29 -0.13 0.00 -0.39 0.00 0.00 64.86 64.18 1r42 h ILE 407 Cb 0.08 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.06 1r42 h ILE 407 CO -0.02 0.15 -0.22 0.24 -0.69 0.00 0.00 178.15 177.62 1r42 h MET 408 N 0.84 0.97 -0.42 2.37 2.86 -1.41 -3.03 114.93 117.11 1r42 h MET 408 Ca 0.24 -0.42 -0.09 0.00 -2.06 0.00 0.00 59.70 57.36 1r42 h MET 408 Cb -0.07 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1r42 h MET 408 CO -0.05 1.09 -0.11 0.77 1.06 0.00 0.00 176.91 179.67 1r42 h SER 409 N 0.82 0.73 0.00 1.22 0.02 -1.57 -2.40 113.55 112.38 1r42 h SER 409 Ca 0.10 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1r42 h SER 409 Cb 0.80 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 63.09 1r42 h SER 409 CO 0.07 0.87 -0.35 0.25 -1.14 0.00 0.00 176.83 176.53 1r42 h LEU 410 N 0.68 -1.06 -0.98 5.07 5.85 -1.36 -0.57 115.31 122.93 1r42 h LEU 410 Ca 0.12 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 1r42 h LEU 410 Cb 0.58 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1r42 h LEU 410 CO 0.04 -0.41 0.10 0.28 -0.34 0.00 0.00 178.44 178.11 1r42 h SER 411 N -0.51 0.79 0.74 1.25 0.02 -1.46 -3.13 113.55 111.25 1r42 h SER 411 Ca 0.06 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.77 1r42 h SER 411 Cb 0.59 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1r42 h SER 411 CO -0.28 0.79 -0.39 0.00 -1.14 0.00 0.00 176.83 175.81 1r42 h ALA 412 N 1.31 1.04 0.00 3.77 0.00 -0.91 -3.16 119.26 121.31 1r42 h ALA 412 Ca 0.17 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1r42 h ALA 412 Cb 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1r42 h ALA 412 CO 0.00 0.49 -0.50 0.00 0.00 0.00 0.00 179.25 179.25 1r42 h ALA 413 N 1.61 0.70 -2.58 0.00 0.00 -1.07 -3.39 119.26 114.52 1r42 h ALA 413 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.33 1r42 h ALA 413 Cb 0.87 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.79 1r42 h ALA 413 CO 0.05 0.00 0.36 0.25 0.00 0.00 0.00 179.25 179.91 1r42 n THR 414 N -2.39 2.53 -0.36 0.00 -2.24 -1.19 -4.78 114.28 105.84 1r42 n THR 414 Ca 0.03 -0.50 0.08 0.00 -2.27 0.00 0.00 64.05 61.40 1r42 n THR 414 Cb 0.47 -1.40 0.26 0.00 -2.10 0.00 0.00 70.33 67.56 1r42 n THR 414 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1r42 h PRO 415 N 1.86 0.92 -0.14 -0.78 0.11 -1.91 -0.19 132.00 131.88 1r42 h PRO 415 Ca -0.46 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 1r42 h PRO 415 Cb 1.31 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1r42 h PRO 415 CO 0.59 0.61 -0.07 -0.22 -0.21 0.00 0.00 178.00 178.69 1r42 h LYS 416 N 0.95 0.20 0.03 1.05 3.64 -1.88 -1.48 116.57 119.08 1r42 h LYS 416 Ca 0.52 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.75 1r42 h LYS 416 Cb 0.58 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1r42 h LYS 416 CO -0.29 0.29 -0.43 1.25 -2.27 0.00 0.00 179.45 178.00 1r42 h HIS 417 N 0.20 0.37 -0.08 1.91 2.76 -1.31 -2.99 115.15 116.01 1r42 h HIS 417 Ca 0.04 -0.23 0.02 0.00 -2.20 0.00 0.00 60.37 58.01 1r42 h HIS 417 Cb 0.26 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.18 1r42 h HIS 417 CO 0.00 1.08 0.07 -0.07 -1.30 0.00 0.00 177.93 177.72 1r42 h LEU 418 N -0.44 0.00 0.29 0.26 -0.00 -1.12 -2.39 115.31 111.91 1r42 h LEU 418 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 1r42 h LEU 418 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.89 1r42 h LEU 418 CO 0.08 0.00 -0.14 0.11 -0.00 0.00 0.00 178.44 178.49 1r42 h LYS 419 N 0.00 -0.38 0.00 1.13 1.57 -1.30 -0.38 116.57 117.22 1r42 h LYS 419 Ca 0.04 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1r42 h LYS 419 Cb 0.18 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1r42 h LYS 419 CO -0.00 -0.25 0.47 1.03 -0.57 0.00 0.00 179.45 180.13 1r42 h SER 420 N -1.08 0.00 0.52 0.86 0.87 -1.36 1.02 113.55 114.39 1r42 h SER 420 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1r42 h SER 420 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1r42 h SER 420 CO 0.07 0.00 -0.93 -0.38 -0.53 0.00 0.00 176.83 175.06 1r42 n ILE 421 N -2.78 0.20 -0.81 2.23 -0.00 -0.92 -4.97 119.36 112.32 1r42 n ILE 421 Ca -0.02 -0.24 0.00 0.00 -0.00 0.00 0.00 62.75 62.49 1r42 n ILE 421 Cb 0.51 0.14 0.00 0.00 -0.00 0.00 0.00 39.64 40.29 1r42 n ILE 421 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1r42 n GLY 422 N 1.37 0.55 0.02 7.39 0.00 0.35 -4.92 105.19 109.95 1r42 n GLY 422 Ca 0.02 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.76 1r42 n GLY 422 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r42 n LEU 423 N 0.00 0.61 -3.90 0.99 4.77 -0.29 -4.82 117.00 114.36 1r42 n LEU 423 Ca 0.00 -0.12 -0.22 0.00 -0.03 0.00 0.00 56.01 55.64 1r42 n LEU 423 Cb 0.00 -0.07 -0.17 0.00 -2.33 0.00 0.00 43.42 40.86 1r42 n LEU 423 CO 0.00 0.09 -0.42 -0.22 -1.33 0.00 0.00 177.39 175.51 1r42 s LEU 424 N -3.77 1.25 0.63 2.23 2.96 -0.41 -4.75 118.68 116.82 1r42 s LEU 424 Ca 0.03 -0.17 -0.14 0.00 -0.22 0.00 0.00 54.13 53.63 1r42 s LEU 424 Cb 0.15 -0.55 -0.02 0.00 0.50 0.00 0.00 46.19 46.26 1r42 s LEU 424 CO 0.83 -0.07 1.06 -0.94 -1.32 0.00 0.00 176.35 175.91 1r42 s SER 425 N 1.12 5.57 0.00 3.68 1.04 -1.26 -4.00 113.70 119.85 1r42 s SER 425 Ca -0.07 1.78 0.00 0.00 0.48 0.00 0.00 55.95 58.14 1r42 s SER 425 Cb -0.14 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1r42 s SER 425 CO -0.01 -1.31 0.61 -0.81 0.98 0.00 0.00 173.24 172.69 1r42 n PRO 426 N -2.40 0.76 0.01 4.02 -0.04 -1.26 -2.69 135.00 133.40 1r42 n PRO 426 Ca 0.09 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1r42 n PRO 426 Cb 0.53 -1.15 -0.06 0.00 -0.04 0.00 0.00 33.50 32.78 1r42 n PRO 426 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1r42 n ASP 427 N -0.25 0.64 -4.52 3.54 4.64 -1.26 -4.79 116.55 114.55 1r42 n ASP 427 Ca 0.00 -0.48 -0.42 0.00 -1.38 0.00 0.00 54.79 52.51 1r42 n ASP 427 Cb 0.08 1.08 -0.03 0.00 -1.04 0.00 0.00 41.12 41.20 1r42 n ASP 427 CO 0.00 0.00 0.00 0.12 -0.82 0.00 0.00 177.20 176.50 1r42 s PHE 428 N -3.17 2.44 0.18 -0.67 2.19 -1.09 -4.99 117.98 112.87 1r42 s PHE 428 Ca 0.04 -0.30 -0.30 0.00 0.33 0.00 0.00 56.93 56.70 1r42 s PHE 428 Cb 0.15 -4.52 -0.08 0.00 -1.31 0.00 0.00 43.02 37.26 1r42 s PHE 428 CO 0.84 -1.92 1.15 1.14 1.83 0.00 0.00 175.22 178.26 1r42 s GLN 429 N 5.09 4.54 -0.19 10.12 -2.07 -1.26 -5.01 119.66 130.88 1r42 s GLN 429 Ca 0.32 1.79 -0.17 0.00 -1.82 0.00 0.00 55.36 55.49 1r42 s GLN 429 Cb -0.10 -3.26 -0.04 0.00 -1.09 0.00 0.00 33.01 28.52 1r42 s GLN 429 CO 0.11 -0.01 0.43 -1.21 -1.32 0.00 0.00 175.29 173.29 1r42 s GLU 430 N -0.28 4.20 0.47 9.60 2.02 -1.26 -5.03 118.70 128.42 1r42 s GLU 430 Ca 0.51 0.27 0.08 0.00 0.02 0.00 0.00 54.97 55.85 1r42 s GLU 430 Cb -0.31 -3.53 0.02 0.00 0.10 0.00 0.00 34.13 30.41 1r42 s GLU 430 CO 0.36 -0.03 0.53 -0.51 0.02 0.00 0.00 175.26 175.62 1r42 s ASP 431 N 1.01 5.19 0.18 -0.19 1.01 -1.26 -4.97 116.67 117.63 1r42 s ASP 431 Ca 0.21 -0.74 0.24 0.00 0.71 0.00 0.00 52.55 52.97 1r42 s ASP 431 Cb -0.15 -0.27 0.91 0.00 1.01 0.00 0.00 42.92 44.42 1r42 s ASP 431 CO 0.08 -0.90 1.74 -0.46 0.21 0.00 0.00 175.17 175.85 1r42 n ASN 432 N -1.82 0.59 0.03 0.27 6.94 -1.26 -2.70 115.26 117.31 1r42 n ASN 432 Ca 0.07 0.59 -0.19 0.00 -0.02 0.00 0.00 54.58 55.03 1r42 n ASN 432 Cb 0.61 -0.74 -0.14 0.00 -2.36 0.00 0.00 39.78 37.15 1r42 n ASN 432 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1r42 h GLU 433 N 0.00 0.27 0.00 -3.83 5.08 -1.99 -2.83 114.58 111.27 1r42 h GLU 433 Ca 0.00 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1r42 h GLU 433 Cb 0.53 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1r42 h GLU 433 CO 0.00 1.14 -0.05 1.79 -1.00 0.00 0.00 179.01 180.88 1r42 h THR 434 N 0.07 0.15 0.13 1.13 1.35 -1.93 -1.07 112.91 112.74 1r42 h THR 434 Ca -0.35 -0.60 -0.01 0.00 -0.55 0.00 0.00 66.41 64.91 1r42 h THR 434 Cb 2.05 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.98 1r42 h THR 434 CO 0.13 0.05 -0.06 -0.08 -0.25 0.00 0.00 175.52 175.31 1r42 h GLU 435 N 0.00 -0.16 -0.52 4.72 4.57 -1.58 -2.66 114.58 118.95 1r42 h GLU 435 Ca -0.00 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1r42 h GLU 435 Cb 0.51 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.11 1r42 h GLU 435 CO 0.01 0.26 0.31 0.82 -1.18 0.00 0.00 179.01 179.22 1r42 h ILE 436 N -0.93 1.15 -0.62 2.32 5.03 -1.37 -0.01 117.51 123.07 1r42 h ILE 436 Ca -0.02 -0.34 -0.02 0.00 -0.12 0.00 0.00 64.86 64.37 1r42 h ILE 436 Cb 0.50 0.43 -0.03 0.00 -3.03 0.00 0.00 36.82 34.68 1r42 h ILE 436 CO 0.03 0.16 0.32 0.78 -0.68 0.00 0.00 178.15 178.75 1r42 h ASN 437 N 0.71 0.77 0.02 1.72 4.21 -1.26 -0.01 115.58 121.74 1r42 h ASN 437 Ca 0.19 -0.07 -0.17 0.00 1.21 0.00 0.00 56.30 57.46 1r42 h ASN 437 Cb -0.02 -0.20 0.01 0.00 -1.12 0.00 0.00 38.32 37.00 1r42 h ASN 437 CO -0.03 0.64 -0.68 0.15 -1.29 0.00 0.00 177.43 176.21 1r42 h PHE 438 N 0.86 0.65 -0.35 1.19 3.57 -0.81 -2.61 116.94 119.44 1r42 h PHE 438 Ca 0.22 -0.37 -0.08 0.00 3.53 0.00 0.00 57.97 61.27 1r42 h PHE 438 Cb 0.05 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1r42 h PHE 438 CO 0.01 1.20 -0.13 -0.07 -2.23 0.00 0.00 178.31 177.08 1r42 h LEU 439 N -0.09 0.60 -0.19 0.59 4.07 -0.89 -0.41 115.31 118.99 1r42 h LEU 439 Ca -0.09 -0.17 -0.08 0.00 0.08 0.00 0.00 57.88 57.62 1r42 h LEU 439 Cb 1.40 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.98 1r42 h LEU 439 CO 0.13 0.76 -0.18 0.25 -1.08 0.00 0.00 178.44 178.32 1r42 h LEU 440 N 0.56 0.49 -0.66 1.67 7.12 -1.09 0.89 115.31 124.29 1r42 h LEU 440 Ca 0.10 -0.47 0.03 0.00 0.13 0.00 0.00 57.88 57.67 1r42 h LEU 440 Cb 0.55 -0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 40.50 1r42 h LEU 440 CO 0.03 0.86 0.40 0.50 -0.13 0.00 0.00 178.44 180.11 1r42 h LYS 441 N 0.13 0.76 -0.58 1.25 3.64 -1.19 -1.26 116.57 119.32 1r42 h LYS 441 Ca 0.03 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1r42 h LYS 441 Cb 0.72 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 1r42 h LYS 441 CO 0.05 0.51 0.28 1.96 -2.27 0.00 0.00 179.45 179.97 1r42 h GLN 442 N 0.79 0.84 -0.22 1.90 1.08 -0.87 -3.08 115.11 115.55 1r42 h GLN 442 Ca 0.27 -0.12 -0.08 0.00 -1.45 0.00 0.00 58.65 57.27 1r42 h GLN 442 Cb 0.04 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 1r42 h GLN 442 CO -0.11 0.68 -0.21 0.00 -0.95 0.00 0.00 178.83 178.24 1r42 h ALA 443 N 1.11 1.24 -0.62 3.87 0.00 -0.23 0.12 119.26 124.75 1r42 h ALA 443 Ca 0.20 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1r42 h ALA 443 Cb 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1r42 h ALA 443 CO -0.02 0.50 0.41 -0.07 0.00 0.00 0.00 179.25 180.06 1r42 h LEU 444 N 0.36 0.68 0.00 0.00 4.07 -1.15 0.17 115.31 119.44 1r42 h LEU 444 Ca 0.06 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.96 1r42 h LEU 444 Cb 0.57 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 1r42 h LEU 444 CO 0.04 0.49 -0.56 0.74 -1.08 0.00 0.00 178.44 178.07 1r42 h THR 445 N 0.80 0.30 0.27 0.22 2.02 -1.54 0.15 112.91 115.13 1r42 h THR 445 Ca 0.23 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.07 1r42 h THR 445 Cb -0.04 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1r42 h THR 445 CO -0.06 0.10 -0.13 0.40 0.37 0.00 0.00 175.52 176.20 1r42 h ILE 446 N -1.00 0.73 0.05 3.11 2.04 -0.76 -3.12 117.51 118.56 1r42 h ILE 446 Ca -0.08 -0.71 -0.22 0.00 1.00 0.00 0.00 64.86 64.86 1r42 h ILE 446 Cb 0.62 1.08 0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1r42 h ILE 446 CO -0.05 0.14 -0.90 0.58 0.00 0.00 0.00 178.15 177.92 1r42 h VAL 447 N -0.77 1.37 -0.56 1.67 2.07 -0.94 -3.31 116.25 115.77 1r42 h VAL 447 Ca -0.04 -2.28 0.13 0.00 0.82 0.00 0.00 66.70 65.33 1r42 h VAL 447 Cb 0.50 2.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.92 1r42 h VAL 447 CO 0.06 0.68 0.39 1.23 0.02 0.00 0.00 177.57 179.95 1r42 h GLY 448 N 0.06 0.30 1.81 2.17 0.00 -1.07 -1.99 103.07 104.35 1r42 h GLY 448 Ca -0.13 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1r42 h GLY 448 CO 0.17 0.04 -0.17 0.00 0.00 0.00 0.00 176.54 176.58 1r42 h THR 449 N 0.20 0.00 0.06 4.70 1.03 -1.64 -3.36 112.91 113.90 1r42 h THR 449 Ca 0.27 -0.82 -0.00 0.00 -0.01 0.00 0.00 66.41 65.85 1r42 h THR 449 Cb 0.79 1.72 0.00 0.00 -1.07 0.00 0.00 68.15 69.60 1r42 h THR 449 CO -0.05 0.00 -0.03 -0.07 -0.01 0.00 0.00 175.52 175.37 1r42 h LEU 450 N 0.00 -0.07 -1.03 0.00 3.38 -1.44 0.12 115.31 116.28 1r42 h LEU 450 Ca 0.00 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1r42 h LEU 450 Cb 0.91 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1r42 h LEU 450 CO 0.00 0.06 -0.08 -0.65 0.09 0.00 0.00 178.44 177.87 1r42 h PRO 451 N -0.19 0.61 -0.52 1.13 0.11 -1.73 -0.31 132.00 131.11 1r42 h PRO 451 Ca -0.01 -0.17 -0.06 0.00 0.11 0.00 0.00 66.00 65.87 1r42 h PRO 451 Cb 0.17 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 1r42 h PRO 451 CO 0.01 0.69 0.08 0.35 -0.21 0.00 0.00 178.00 178.92 1r42 h PHE 452 N 0.57 0.91 -0.09 0.65 3.04 -1.66 -0.99 116.94 119.37 1r42 h PHE 452 Ca 0.11 -0.13 -0.03 0.00 3.98 0.00 0.00 57.97 61.90 1r42 h PHE 452 Cb 0.47 -0.25 -0.00 0.00 2.56 0.00 0.00 35.95 38.73 1r42 h PHE 452 CO 0.02 0.83 -0.04 1.15 -2.02 0.00 0.00 178.31 178.24 1r42 h THR 453 N 0.74 1.32 -0.32 4.41 2.02 -0.39 -1.86 112.91 118.83 1r42 h THR 453 Ca 0.16 -1.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.29 1r42 h THR 453 Cb 0.41 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 1r42 h THR 453 CO 0.01 0.29 0.19 0.22 0.37 0.00 0.00 175.52 176.61 1r42 h TYR 454 N -0.17 0.43 -0.59 3.16 -0.00 -1.03 -2.36 116.97 116.40 1r42 h TYR 454 Ca 0.02 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.74 1r42 h TYR 454 Cb 0.49 -0.14 -0.03 0.00 -0.00 0.00 0.00 36.73 37.05 1r42 h TYR 454 CO 0.07 0.32 0.33 1.98 -0.00 0.00 0.00 178.16 180.85 1r42 h MET 455 N 0.41 0.83 0.17 1.82 4.05 -1.18 -0.66 114.93 120.37 1r42 h MET 455 Ca 0.12 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1r42 h MET 455 Cb 0.01 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 30.65 1r42 h MET 455 CO -0.02 0.63 -0.09 1.25 0.23 0.00 0.00 176.91 178.91 1r42 h LEU 456 N 0.80 -0.21 -1.33 3.39 5.85 -1.19 -1.52 115.31 121.10 1r42 h LEU 456 Ca 0.21 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1r42 h LEU 456 Cb 0.04 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1r42 h LEU 456 CO -0.03 -0.14 0.08 -0.33 -0.34 0.00 0.00 178.44 177.67 1r42 h GLU 457 N -0.24 0.52 -0.49 1.25 4.39 -1.28 -2.34 114.58 116.40 1r42 h GLU 457 Ca -0.02 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1r42 h GLU 457 Cb 0.19 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1r42 h GLU 457 CO 0.03 0.49 0.27 -0.22 -1.16 0.00 0.00 179.01 178.43 1r42 h LYS 458 N 0.52 0.69 -0.71 2.33 1.63 -0.81 0.22 116.57 120.43 1r42 h LYS 458 Ca 0.12 -0.08 0.01 0.00 -0.85 0.00 0.00 60.65 59.85 1r42 h LYS 458 Cb 0.22 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.67 1r42 h LYS 458 CO -0.00 0.54 0.46 2.35 -3.45 0.00 0.00 179.45 179.35 1r42 h TRP 459 N 0.65 0.88 -0.35 1.91 7.01 -0.84 -0.95 115.95 124.27 1r42 h TRP 459 Ca 0.17 0.02 -0.10 0.00 2.11 0.00 0.00 58.89 61.09 1r42 h TRP 459 Cb 0.05 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.81 1r42 h TRP 459 CO -0.02 0.54 -0.18 0.00 -2.79 0.00 0.00 178.44 175.99 1r42 h ARG 460 N 0.94 0.73 -0.61 2.65 3.08 -0.93 -0.31 114.38 119.92 1r42 h ARG 460 Ca 0.27 -0.32 0.08 0.00 0.07 0.00 0.00 59.98 60.08 1r42 h ARG 460 Cb -0.07 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 29.90 1r42 h ARG 460 CO -0.07 0.93 0.27 -1.49 -1.07 0.00 0.00 179.97 178.53 1r42 h TRP 461 N 0.51 0.47 -0.39 3.04 6.55 -0.23 0.13 115.95 126.04 1r42 h TRP 461 Ca 0.08 0.03 -0.13 0.00 0.95 0.00 0.00 58.89 59.81 1r42 h TRP 461 Cb 0.72 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 28.89 1r42 h TRP 461 CO 0.06 0.16 -0.29 0.52 -1.05 0.00 0.00 178.44 177.84 1r42 h MET 462 N 0.48 0.83 -0.16 0.49 2.86 -1.04 -1.17 114.93 117.22 1r42 h MET 462 Ca 0.30 -0.38 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1r42 h MET 462 Cb 0.31 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1r42 h MET 462 CO -0.26 1.01 0.07 0.28 1.06 0.00 0.00 176.91 179.07 1r42 h VAL 463 N 0.71 1.15 -0.32 -2.22 2.07 -0.52 -0.70 116.25 116.42 1r42 h VAL 463 Ca 0.08 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1r42 h VAL 463 Cb 0.84 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1r42 h VAL 463 CO 0.07 0.14 0.02 -0.26 0.02 0.00 0.00 177.57 177.57 1r42 h PHE 464 N 0.11 0.50 0.00 1.57 0.05 -0.61 -1.37 116.94 117.18 1r42 h PHE 464 Ca 0.05 -0.04 0.00 0.00 3.82 0.00 0.00 57.97 61.80 1r42 h PHE 464 Cb 0.17 -0.15 0.00 0.00 2.00 0.00 0.00 35.95 37.97 1r42 h PHE 464 CO -0.01 0.48 0.00 0.87 -0.18 0.00 0.00 178.31 179.47 1r42 h LYS 465 N 0.47 0.00 0.00 1.51 1.57 -0.93 -3.43 116.57 115.76 1r42 h LYS 465 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1r42 h LYS 465 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1r42 h LYS 465 CO 0.01 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.30 1r42 n GLY 466 N 0.43 0.62 0.21 3.86 0.00 -0.52 -4.95 105.19 104.84 1r42 n GLY 466 Ca 0.02 -0.70 0.14 0.00 0.00 0.00 0.00 46.02 45.48 1r42 n GLY 466 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r42 n GLU 467 N -2.57 0.85 -3.81 1.61 1.02 -0.38 -4.62 120.64 112.74 1r42 n GLU 467 Ca 0.00 -0.42 -0.29 0.00 -0.02 0.00 0.00 57.16 56.42 1r42 n GLU 467 Cb 0.01 -1.49 -0.16 0.00 -0.02 0.00 0.00 31.44 29.79 1r42 n GLU 467 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1r42 s ILE 468 N -2.44 1.06 0.47 -3.67 1.01 -1.25 -5.00 121.20 111.38 1r42 s ILE 468 Ca 0.28 -1.18 -0.24 0.00 0.00 0.00 0.00 60.65 59.50 1r42 s ILE 468 Cb 0.20 -1.60 -0.08 0.00 0.01 0.00 0.00 42.46 40.99 1r42 s ILE 468 CO 0.48 -0.38 1.36 -2.65 0.00 0.00 0.00 174.94 173.75 1r42 n PRO 469 N 4.81 1.98 -0.34 2.79 -0.02 -1.26 -4.74 135.00 138.21 1r42 n PRO 469 Ca -0.06 0.71 0.25 0.00 -2.02 0.00 0.00 63.50 62.38 1r42 n PRO 469 Cb 0.44 -2.54 0.50 0.00 -0.02 0.00 0.00 33.50 31.88 1r42 n PRO 469 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1r42 h LYS 470 N 1.95 0.27 0.00 -0.52 1.57 -1.99 0.60 116.57 118.44 1r42 h LYS 470 Ca -0.50 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1r42 h LYS 470 Cb 1.29 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1r42 h LYS 470 CO 0.59 0.18 0.00 -0.40 -0.57 0.00 0.00 179.45 179.25 1r42 n ASP 471 N -5.05 0.00 0.00 0.86 5.68 -1.26 -2.64 116.55 114.15 1r42 n ASP 471 Ca 0.33 -0.10 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 1r42 n ASP 471 Cb 1.04 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.81 1r42 n ASP 471 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1r42 n GLN 472 N -1.21 1.83 0.09 0.11 6.02 0.21 -4.84 117.38 119.59 1r42 n GLN 472 Ca 0.09 -1.13 -0.11 0.00 -0.01 0.00 0.00 57.00 55.84 1r42 n GLN 472 Cb 0.11 -0.88 -0.06 0.00 1.02 0.00 0.00 30.24 30.43 1r42 n GLN 472 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 1r42 h TRP 473 N 0.00 -0.98 -0.73 1.08 4.06 -1.24 0.38 115.95 118.52 1r42 h TRP 473 Ca 0.00 0.02 -0.05 0.00 2.06 0.00 0.00 58.89 60.92 1r42 h TRP 473 Cb 0.56 0.42 -0.03 0.00 -1.00 0.00 0.00 29.16 29.10 1r42 h TRP 473 CO 0.00 -0.39 0.24 0.52 -3.56 0.00 0.00 178.44 175.25 1r42 h MET 474 N -0.51 1.11 -0.13 0.49 2.86 -1.87 0.99 114.93 117.88 1r42 h MET 474 Ca -0.01 -0.23 0.03 0.00 -2.06 0.00 0.00 59.70 57.43 1r42 h MET 474 Cb 0.50 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 1r42 h MET 474 CO -0.17 0.94 -0.05 -0.22 1.06 0.00 0.00 176.91 178.47 1r42 h LYS 475 N 1.07 -0.03 -0.35 1.72 3.64 -1.77 -0.24 116.57 120.62 1r42 h LYS 475 Ca 0.24 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.53 1r42 h LYS 475 Cb 0.28 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1r42 h LYS 475 CO -0.01 -0.02 -0.15 -0.22 -2.27 0.00 0.00 179.45 176.78 1r42 h LYS 476 N -0.03 0.63 0.15 1.90 3.11 -0.00 -0.77 116.57 121.56 1r42 h LYS 476 Ca 0.07 -0.21 0.00 0.00 -2.81 0.00 0.00 60.65 57.70 1r42 h LYS 476 Cb 0.13 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.30 1r42 h LYS 476 CO -0.15 0.76 -0.14 2.35 -2.81 0.00 0.00 179.45 179.45 1r42 h TRP 477 N 0.57 -0.37 0.00 1.91 2.91 0.02 0.14 115.95 121.13 1r42 h TRP 477 Ca 0.10 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.07 1r42 h TRP 477 Cb 0.59 0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.38 1r42 h TRP 477 CO 0.02 -0.22 -0.22 -1.49 -1.03 0.00 0.00 178.44 175.51 1r42 h TRP 478 N -0.32 0.00 -0.35 2.65 4.06 -0.97 0.56 115.95 121.58 1r42 h TRP 478 Ca 0.00 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.84 1r42 h TRP 478 Cb 0.30 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.45 1r42 h TRP 478 CO -0.13 0.22 -0.20 1.49 -3.56 0.00 0.00 178.44 176.26 1r42 h GLU 479 N 0.00 0.75 -0.19 0.49 4.81 -0.77 -2.28 114.58 117.41 1r42 h GLU 479 Ca -0.00 -0.34 -0.15 0.00 -0.13 0.00 0.00 59.36 58.73 1r42 h GLU 479 Cb 0.84 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 1r42 h GLU 479 CO 0.03 0.96 -0.52 0.52 -0.73 0.00 0.00 179.01 179.27 1r42 h MET 480 N 0.54 0.53 -0.28 1.92 2.86 -0.64 -1.81 114.93 118.05 1r42 h MET 480 Ca 0.07 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1r42 h MET 480 Cb 0.75 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 1r42 h MET 480 CO 0.06 0.92 0.16 0.87 1.06 0.00 0.00 176.91 179.98 1r42 h LYS 481 N 0.41 0.38 -0.34 1.72 1.79 -0.79 -1.66 116.57 118.08 1r42 h LYS 481 Ca 0.01 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1r42 h LYS 481 Cb 1.05 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.61 1r42 h LYS 481 CO 0.10 0.32 0.16 0.00 -1.08 0.00 0.00 179.45 178.95 1r42 h ARG 482 N 0.34 0.50 0.06 3.15 3.08 -0.99 -0.03 114.38 120.48 1r42 h ARG 482 Ca 0.10 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1r42 h ARG 482 Cb 0.04 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1r42 h ARG 482 CO -0.02 0.46 -0.03 0.93 -1.07 0.00 0.00 179.97 180.24 1r42 h GLU 483 N 0.42 -0.08 0.10 0.04 4.39 -1.28 -3.04 114.58 115.14 1r42 h GLU 483 Ca 0.12 0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.64 1r42 h GLU 483 Cb 0.12 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1r42 h GLU 483 CO -0.01 0.50 -0.89 0.82 -1.16 0.00 0.00 179.01 178.26 1r42 h ILE 484 N -0.75 1.38 0.00 3.13 2.04 -1.42 -3.39 117.51 118.50 1r42 h ILE 484 Ca -0.01 -2.45 -0.12 0.00 1.00 0.00 0.00 64.86 63.29 1r42 h ILE 484 Cb 0.61 3.03 -0.02 0.00 -0.74 0.00 0.00 36.82 39.70 1r42 h ILE 484 CO 0.01 0.67 -1.47 0.52 0.00 0.00 0.00 178.15 177.89 1r42 n VAL 485 N -4.16 0.88 -2.84 1.67 0.31 -0.73 -4.96 118.33 108.49 1r42 n VAL 485 Ca -0.18 -0.64 -0.10 0.00 -0.01 0.00 0.00 64.34 63.42 1r42 n VAL 485 Cb 0.78 -0.50 0.04 0.00 -0.91 0.00 0.00 33.84 33.25 1r42 n VAL 485 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1r42 n GLY 486 N 1.35 0.14 2.96 2.92 0.00 -0.10 -4.96 105.19 107.50 1r42 n GLY 486 Ca -0.08 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 1r42 n GLY 486 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r42 s VAL 487 N -3.16 0.49 0.01 1.61 1.01 -1.01 -1.50 120.40 117.84 1r42 s VAL 487 Ca 0.13 -0.24 0.07 0.00 0.00 0.00 0.00 61.98 61.94 1r42 s VAL 487 Cb -0.06 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 1r42 s VAL 487 CO 0.35 0.15 -0.22 0.68 0.00 0.00 0.00 175.10 176.06 1r42 s VAL 488 N -0.01 1.72 0.24 2.92 -7.23 -0.09 -2.31 120.40 115.63 1r42 s VAL 488 Ca 0.01 -1.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.83 1r42 s VAL 488 Cb -0.04 -1.45 -0.09 0.00 0.56 0.00 0.00 36.38 35.36 1r42 s VAL 488 CO -0.00 0.38 1.31 -1.83 -0.31 0.00 0.00 175.10 174.64 1r42 s GLU 489 N -0.79 4.39 0.32 4.82 1.03 -1.26 -0.25 118.70 126.97 1r42 s GLU 489 Ca 0.08 2.10 0.10 0.00 0.03 0.00 0.00 54.97 57.28 1r42 s GLU 489 Cb -0.09 -3.16 0.55 0.00 -0.80 0.00 0.00 34.13 30.64 1r42 s GLU 489 CO 0.00 -0.22 1.74 -1.35 -1.33 0.00 0.00 175.26 174.10 1r42 h PRO 490 N 4.79 0.10 -5.90 -4.83 0.11 -1.96 -3.43 132.00 120.88 1r42 h PRO 490 Ca -0.46 -0.05 -0.52 0.00 0.11 0.00 0.00 66.00 65.08 1r42 h PRO 490 Cb 1.22 -0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.10 1r42 h PRO 490 CO 0.74 0.51 -0.82 0.08 -0.21 0.00 0.00 178.00 178.30 1r42 s VAL 491 N -4.09 1.53 0.30 3.15 1.01 -1.26 -4.43 120.40 116.60 1r42 s VAL 491 Ca -0.03 -1.35 -0.26 0.00 0.00 0.00 0.00 61.98 60.33 1r42 s VAL 491 Cb 0.14 -1.38 -0.10 0.00 0.00 0.00 0.00 36.38 35.04 1r42 s VAL 491 CO 0.75 -0.02 0.92 -2.16 0.00 0.00 0.00 175.10 174.60 1r42 s PRO 492 N -1.61 4.60 -0.14 2.72 0.04 -1.26 -5.03 135.00 134.31 1r42 s PRO 492 Ca 0.05 1.32 0.02 0.00 0.04 0.00 0.00 61.00 62.42 1r42 s PRO 492 Cb -0.09 -2.89 0.01 0.00 0.04 0.00 0.00 34.50 31.57 1r42 s PRO 492 CO 0.03 0.33 -0.20 -1.01 0.04 0.00 0.00 177.00 176.19 1r42 s HIS 493 N -1.53 2.54 0.17 0.56 3.76 -1.26 -5.13 115.29 114.39 1r42 s HIS 493 Ca 0.48 -1.34 -0.01 0.00 -0.15 0.00 0.00 55.06 54.04 1r42 s HIS 493 Cb -0.20 -1.76 0.04 0.00 1.11 0.00 0.00 32.58 31.77 1r42 s HIS 493 CO 0.25 -0.64 0.23 -0.40 -0.85 0.00 0.00 174.74 173.32 1r42 n ASP 494 N 4.28 0.16 0.00 1.40 3.85 -1.26 -4.66 116.55 120.32 1r42 n ASP 494 Ca -0.20 -1.17 0.05 0.00 -0.71 0.00 0.00 54.79 52.76 1r42 n ASP 494 Cb 0.51 -0.16 0.32 0.00 -1.35 0.00 0.00 41.12 40.44 1r42 n ASP 494 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1r42 n GLU 495 N -1.45 0.65 0.18 0.11 -0.58 -1.26 -2.34 120.64 115.95 1r42 n GLU 495 Ca 0.03 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.84 1r42 n GLU 495 Cb 0.12 -1.26 0.13 0.00 -0.57 0.00 0.00 31.44 29.86 1r42 n GLU 495 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1r42 h THR 496 N 0.00 0.48 -3.16 2.62 2.02 -1.98 -3.46 112.91 109.44 1r42 h THR 496 Ca 0.00 -1.62 -0.46 0.00 0.77 0.00 0.00 66.41 65.10 1r42 h THR 496 Cb 0.00 2.19 0.05 0.00 -1.74 0.00 0.00 68.15 68.65 1r42 h THR 496 CO 0.00 0.27 0.07 -0.31 0.37 0.00 0.00 175.52 175.92 1r42 s TYR 497 N -3.12 3.04 -0.43 3.16 2.02 -0.99 -4.53 117.35 116.49 1r42 s TYR 497 Ca 0.05 0.31 0.07 0.00 -0.37 0.00 0.00 57.07 57.13 1r42 s TYR 497 Cb 0.07 -2.78 0.26 0.00 -0.40 0.00 0.00 41.96 39.11 1r42 s TYR 497 CO 0.70 -0.91 0.73 0.00 -1.57 0.00 0.00 175.55 174.51 1r42 h ASP 499 N 3.81 0.34 0.21 0.00 3.45 -1.92 -2.13 116.42 120.18 1r42 h ASP 499 Ca -0.02 -0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.33 1r42 h ASP 499 Cb 0.97 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.64 1r42 h ASP 499 CO 0.39 0.24 -0.37 1.55 -1.57 0.00 0.00 179.24 179.47 1r42 h PRO 500 N 0.40 0.23 0.00 3.56 0.13 -1.97 -2.75 132.00 131.60 1r42 h PRO 500 Ca 0.16 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1r42 h PRO 500 Cb 0.13 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.25 1r42 h PRO 500 CO -0.04 0.58 0.00 0.00 -0.23 0.00 0.00 178.00 178.31 1r42 n ALA 501 N -2.47 1.63 1.80 -0.56 0.00 -0.81 -2.09 120.51 118.00 1r42 n ALA 501 Ca -0.01 0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.45 1r42 n ALA 501 Cb 0.45 -1.29 0.07 0.00 0.00 0.00 0.00 19.45 18.68 1r42 n ALA 501 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1r42 n SER 502 N -1.81 0.35 -4.56 0.00 3.41 -1.03 -3.80 113.62 106.17 1r42 n SER 502 Ca 0.03 -1.96 -0.34 0.00 -0.26 0.00 0.00 58.87 56.34 1r42 n SER 502 Cb 0.19 -0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 63.98 1r42 n SER 502 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1r42 s LEU 503 N -1.05 3.31 0.19 1.04 0.20 -0.89 -5.04 118.68 116.44 1r42 s LEU 503 Ca 0.06 -0.04 -0.22 0.00 0.69 0.00 0.00 54.13 54.62 1r42 s LEU 503 Cb 0.03 -1.77 0.10 0.00 -0.43 0.00 0.00 46.19 44.13 1r42 s LEU 503 CO 0.05 0.27 1.57 0.15 -0.29 0.00 0.00 176.35 178.09 1r42 h PHE 504 N 5.96 -1.13 0.00 5.38 3.57 -1.88 -1.94 116.94 126.90 1r42 h PHE 504 Ca -0.40 0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.16 1r42 h PHE 504 Cb 1.19 0.59 -0.00 0.00 2.79 0.00 0.00 35.95 40.52 1r42 h PHE 504 CO 0.56 -0.40 -0.08 0.45 -2.23 0.00 0.00 178.31 176.61 1r42 h HIS 505 N -0.15 0.00 0.21 0.41 -0.00 -1.93 0.13 115.15 113.82 1r42 h HIS 505 Ca 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.59 1r42 h HIS 505 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.97 1r42 h HIS 505 CO -0.72 0.08 -0.10 0.28 -0.00 0.00 0.00 177.93 177.47 1r42 h VAL 506 N 0.00 0.37 0.00 2.45 2.07 -1.61 -0.96 116.25 118.57 1r42 h VAL 506 Ca -0.00 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1r42 h VAL 506 Cb 0.17 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1r42 h VAL 506 CO 0.01 0.10 0.00 -1.54 0.02 0.00 0.00 177.57 176.17 1r42 n SER 507 N -4.95 0.54 -1.39 0.57 3.41 -1.02 -2.46 113.62 108.32 1r42 n SER 507 Ca -0.06 0.63 0.09 0.00 -0.26 0.00 0.00 58.87 59.27 1r42 n SER 507 Cb 0.19 -0.74 0.32 0.00 -0.26 0.00 0.00 64.21 63.72 1r42 n SER 507 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1r42 n ASN 508 N -2.09 4.52 -3.73 4.04 3.02 0.46 -4.21 115.26 117.27 1r42 n ASN 508 Ca 0.03 -2.55 -0.23 0.00 -0.03 0.00 0.00 54.58 51.80 1r42 n ASN 508 Cb 0.23 -0.54 0.03 0.00 -0.61 0.00 0.00 39.78 38.89 1r42 n ASN 508 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1r42 n ASP 509 N 0.72 -1.81 -4.39 6.41 2.03 -1.03 -4.97 116.55 113.51 1r42 n ASP 509 Ca 0.24 -0.81 -0.32 0.00 0.52 0.00 0.00 54.79 54.42 1r42 n ASP 509 Cb 0.87 -4.06 -0.15 0.00 -0.72 0.00 0.00 41.12 37.07 1r42 n ASP 509 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1r42 s TYR 510 N -3.61 2.53 0.65 -0.67 2.02 -0.39 -5.06 117.35 112.83 1r42 s TYR 510 Ca 0.11 -0.32 -0.15 0.00 -0.37 0.00 0.00 57.07 56.34 1r42 s TYR 510 Cb -0.06 -1.58 -0.01 0.00 -0.40 0.00 0.00 41.96 39.92 1r42 s TYR 510 CO 0.81 0.06 1.10 -1.54 -1.57 0.00 0.00 175.55 174.41 1r42 s SER 511 N -0.61 5.20 -0.02 2.29 1.04 -1.26 -4.62 113.70 115.72 1r42 s SER 511 Ca 0.09 1.98 0.04 0.00 0.48 0.00 0.00 55.95 58.54 1r42 s SER 511 Cb -0.11 -2.55 -0.07 0.00 0.10 0.00 0.00 66.02 63.40 1r42 s SER 511 CO 0.00 -1.57 0.08 0.33 0.98 0.00 0.00 173.24 173.06 1r42 n PHE 512 N -2.36 0.00 0.25 5.02 -0.00 -1.26 -4.71 117.46 114.40 1r42 n PHE 512 Ca 0.10 0.00 0.18 0.00 -0.00 0.00 0.00 57.45 57.73 1r42 n PHE 512 Cb 0.52 -0.14 0.90 0.00 -0.00 0.00 0.00 39.48 40.76 1r42 n PHE 512 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.76 177.73 1r42 h ILE 513 N 0.00 0.30 -0.37 -2.13 6.09 -1.94 -2.27 117.51 117.19 1r42 h ILE 513 Ca -0.03 0.00 0.11 0.00 -1.37 0.00 0.00 64.86 63.56 1r42 h ILE 513 Cb 0.52 0.84 -0.01 0.00 0.47 0.00 0.00 36.82 38.63 1r42 h ILE 513 CO 0.00 0.00 0.29 0.08 -3.07 0.00 0.00 178.15 175.45 1r42 h ARG 514 N 0.00 0.00 0.00 2.19 0.11 -1.95 0.17 114.38 114.89 1r42 h ARG 514 Ca 0.06 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.04 1r42 h ARG 514 Cb 0.43 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.50 1r42 h ARG 514 CO -0.00 0.00 -0.44 1.88 0.10 0.00 0.00 179.97 181.51 1r42 h TYR 515 N 0.00 0.00 0.16 4.08 0.05 -1.77 -0.82 116.97 118.66 1r42 h TYR 515 Ca 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.95 1r42 h TYR 515 Cb 0.75 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.49 1r42 h TYR 515 CO 0.00 0.44 -0.08 -0.92 -1.05 0.00 0.00 178.16 176.55 1r42 h TYR 516 N 0.00 -0.20 -0.77 4.88 3.20 -0.87 -3.14 116.97 120.07 1r42 h TYR 516 Ca -0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1r42 h TYR 516 Cb 1.02 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.32 1r42 h TYR 516 CO 0.00 0.21 0.31 1.79 -1.64 0.00 0.00 178.16 178.83 1r42 h THR 517 N -0.91 1.26 -0.92 1.81 1.35 -1.34 -2.63 112.91 111.53 1r42 h THR 517 Ca -0.02 -0.81 0.01 0.00 -0.55 0.00 0.00 66.41 65.04 1r42 h THR 517 Cb 0.50 0.35 -0.05 0.00 -1.73 0.00 0.00 68.15 67.22 1r42 h THR 517 CO 0.04 0.33 0.61 -0.09 -0.25 0.00 0.00 175.52 176.16 1r42 h ARG 518 N 1.12 1.21 -0.17 4.72 2.43 -1.29 0.27 114.38 122.67 1r42 h ARG 518 Ca 0.26 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1r42 h ARG 518 Cb 0.22 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1r42 h ARG 518 CO -0.02 0.80 0.10 1.15 -1.51 0.00 0.00 179.97 180.49 1r42 h THR 519 N 1.24 1.09 -0.38 0.20 2.02 -1.45 0.34 112.91 115.97 1r42 h THR 519 Ca 0.34 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 67.19 1r42 h THR 519 Cb -0.13 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1r42 h THR 519 CO -0.08 0.08 -0.17 -0.07 0.37 0.00 0.00 175.52 175.66 1r42 h LEU 520 N 0.19 0.70 -0.31 2.58 4.07 -1.07 -3.14 115.31 118.34 1r42 h LEU 520 Ca 0.06 -0.22 -0.03 0.00 0.08 0.00 0.00 57.88 57.77 1r42 h LEU 520 Cb 0.05 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 1r42 h LEU 520 CO -0.01 0.88 0.09 1.88 -1.08 0.00 0.00 178.44 180.19 1r42 h TYR 521 N 0.63 0.50 -0.93 1.13 0.05 0.20 -2.78 116.97 115.77 1r42 h TYR 521 Ca 0.10 -0.06 0.16 0.00 0.05 0.00 0.00 58.73 58.99 1r42 h TYR 521 Cb 0.64 -0.14 -0.08 0.00 1.01 0.00 0.00 36.73 38.15 1r42 h TYR 521 CO 0.03 0.53 0.60 -0.56 -1.05 0.00 0.00 178.16 177.70 1r42 h GLN 522 N 0.34 0.68 0.00 4.88 3.07 -0.31 0.74 115.11 124.51 1r42 h GLN 522 Ca 0.10 -0.04 -0.10 0.00 0.09 0.00 0.00 58.65 58.70 1r42 h GLN 522 Cb 0.27 -0.15 -0.01 0.00 0.08 0.00 0.00 27.48 27.66 1r42 h GLN 522 CO -0.00 0.45 -0.46 0.74 0.09 0.00 0.00 178.83 179.64 1r42 h PHE 523 N 0.70 0.00 -0.14 0.06 0.04 -1.49 -0.92 116.94 115.18 1r42 h PHE 523 Ca 0.49 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.21 1r42 h PHE 523 Cb 0.81 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.96 1r42 h PHE 523 CO -0.00 0.46 -0.09 1.96 -0.60 0.00 0.00 178.31 180.04 1r42 h GLN 524 N 0.00 0.32 0.07 1.51 4.20 -0.76 0.83 115.11 121.28 1r42 h GLN 524 Ca -0.00 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.56 1r42 h GLN 524 Cb 1.33 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.10 1r42 h GLN 524 CO 0.06 0.67 -0.10 0.74 -0.67 0.00 0.00 178.83 179.52 1r42 h PHE 525 N -0.03 -0.26 -0.85 2.96 0.04 -0.93 -0.25 116.94 117.62 1r42 h PHE 525 Ca 0.03 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 1r42 h PHE 525 Cb 0.58 0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.80 1r42 h PHE 525 CO 0.07 -0.16 0.45 0.37 -0.60 0.00 0.00 178.31 178.44 1r42 h GLN 526 N -0.21 1.20 -0.47 1.51 5.75 -1.08 0.32 115.11 122.13 1r42 h GLN 526 Ca 0.02 -0.15 -0.05 0.00 -0.15 0.00 0.00 58.65 58.31 1r42 h GLN 526 Cb 0.22 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 1r42 h GLN 526 CO -0.05 0.90 0.09 1.49 -2.65 0.00 0.00 178.83 178.61 1r42 h GLU 527 N 1.20 0.76 0.17 1.69 4.81 -0.63 -1.27 114.58 121.31 1r42 h GLU 527 Ca 0.30 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1r42 h GLU 527 Cb 0.06 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1r42 h GLU 527 CO -0.04 0.76 -0.08 0.00 -0.73 0.00 0.00 179.01 178.91 1r42 h ALA 528 N 0.97 -0.23 -0.82 2.92 0.00 -0.38 -0.85 119.26 120.86 1r42 h ALA 528 Ca 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1r42 h ALA 528 Cb 0.36 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1r42 h ALA 528 CO 0.01 -0.60 0.44 -0.07 0.00 0.00 0.00 179.25 179.02 1r42 h LEU 529 N -0.29 1.03 -0.84 0.00 -0.00 -0.36 -1.61 115.31 113.23 1r42 h LEU 529 Ca -0.02 -0.09 -0.12 0.00 -0.00 0.00 0.00 57.88 57.65 1r42 h LEU 529 Cb 0.23 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 40.61 1r42 h LEU 529 CO 0.04 0.83 -0.41 0.00 -0.00 0.00 0.00 178.44 178.90 1r42 h GLN 531 N 0.29 0.65 0.00 0.00 4.20 -0.78 -0.98 115.11 118.49 1r42 h GLN 531 Ca 0.03 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.46 1r42 h GLN 531 Cb 0.85 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1r42 h GLN 531 CO 0.07 0.85 0.00 0.00 -0.67 0.00 0.00 178.83 179.08 1r42 n ALA 532 N -2.50 1.85 0.37 3.87 0.00 -0.64 -1.76 120.51 121.70 1r42 n ALA 532 Ca -0.00 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.52 1r42 n ALA 532 Cb 0.44 -1.34 0.17 0.00 0.00 0.00 0.00 19.45 18.73 1r42 n ALA 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r42 n ALA 533 N -1.59 2.41 -3.17 0.00 0.00 -0.26 -4.24 120.51 113.66 1r42 n ALA 533 Ca 0.04 -0.92 -0.22 0.00 0.00 0.00 0.00 53.44 52.34 1r42 n ALA 533 Cb 0.24 -0.76 0.05 0.00 0.00 0.00 0.00 19.45 18.98 1r42 n ALA 533 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1r42 n LYS 534 N 1.28 -5.69 -2.11 0.00 4.76 -0.72 -4.94 118.16 110.73 1r42 n LYS 534 Ca 0.16 0.85 -0.41 0.00 -2.87 0.00 0.00 58.31 56.04 1r42 n LYS 534 Cb 0.55 -5.68 -0.02 0.00 -1.84 0.00 0.00 35.03 28.03 1r42 n LYS 534 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1r42 s HIS 535 N -3.21 3.11 -0.15 2.13 2.46 -0.46 -4.99 115.29 114.19 1r42 s HIS 535 Ca 0.38 1.23 -0.11 0.00 0.47 0.00 0.00 55.06 57.03 1r42 s HIS 535 Cb -0.17 -3.70 -0.04 0.00 -0.13 0.00 0.00 32.58 28.54 1r42 s HIS 535 CO 0.47 -2.13 -0.19 0.39 -2.47 0.00 0.00 174.74 170.81 1r42 n GLU 536 N 1.87 0.47 0.00 2.88 4.71 -1.26 -4.89 120.64 124.42 1r42 n GLU 536 Ca 0.04 0.48 0.00 0.00 -0.01 0.00 0.00 57.16 57.67 1r42 n GLU 536 Cb 0.42 -1.65 0.00 0.00 -1.01 0.00 0.00 31.44 29.19 1r42 n GLU 536 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1r42 n GLY 537 N 1.58 0.45 3.68 0.62 0.00 -1.26 -4.97 105.19 105.29 1r42 n GLY 537 Ca -0.09 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 1r42 n GLY 537 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1r42 n PRO 538 N 0.00 2.08 -0.31 1.61 -0.02 -1.26 -4.90 135.00 132.20 1r42 n PRO 538 Ca 0.00 0.73 0.17 0.00 -2.02 0.00 0.00 63.50 62.38 1r42 n PRO 538 Cb 0.00 -2.35 0.41 0.00 -0.02 0.00 0.00 33.50 31.55 1r42 n PRO 538 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1r42 h LEU 539 N 3.32 0.61 0.00 2.45 5.85 -1.88 -1.87 115.31 123.78 1r42 h LEU 539 Ca -0.45 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1r42 h LEU 539 Cb 1.28 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1r42 h LEU 539 CO 0.69 0.21 0.00 0.00 -0.34 0.00 0.00 178.44 178.99 1r42 n HIS 540 N -4.66 0.00 1.13 1.25 1.44 -1.26 -1.91 115.22 111.21 1r42 n HIS 540 Ca 0.23 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 56.06 1r42 n HIS 540 Cb 0.67 -0.49 0.21 0.00 0.12 0.00 0.00 29.99 30.50 1r42 n HIS 540 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1r42 n LYS 541 N -1.49 2.13 -2.21 -1.40 5.02 -0.70 -4.92 118.16 114.59 1r42 n LYS 541 Ca 0.02 -1.66 -0.38 0.00 -2.02 0.00 0.00 58.31 54.28 1r42 n LYS 541 Cb 0.10 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.64 1r42 n LYS 541 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r42 s ASP 543 N -1.23 1.27 0.00 0.00 2.15 -1.26 -4.38 116.67 113.22 1r42 s ASP 543 Ca 0.62 -0.08 0.21 0.00 0.43 0.00 0.00 52.55 53.73 1r42 s ASP 543 Cb -0.31 -0.40 0.87 0.00 -0.30 0.00 0.00 42.92 42.78 1r42 s ASP 543 CO 0.38 -0.15 1.61 2.30 -0.17 0.00 0.00 175.17 179.13 1r42 n ILE 544 N 4.78 0.14 -1.68 4.11 -5.35 -1.26 -4.94 119.36 115.16 1r42 n ILE 544 Ca -0.13 -0.25 -0.41 0.00 -0.27 0.00 0.00 62.75 61.69 1r42 n ILE 544 Cb 0.50 0.20 0.02 0.00 -1.74 0.00 0.00 39.64 38.62 1r42 n ILE 544 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1r42 n SER 545 N 0.02 2.10 0.00 7.28 7.64 -1.26 -2.20 113.62 127.20 1r42 n SER 545 Ca 0.16 1.06 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1r42 n SER 545 Cb 0.26 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.00 1r42 n SER 545 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1r42 n ASN 546 N 0.11 0.00 -4.42 6.43 5.03 -1.12 -4.98 115.26 116.31 1r42 n ASN 546 Ca 0.08 0.00 -0.44 0.00 0.87 0.00 0.00 54.58 55.09 1r42 n ASN 546 Cb 0.40 -0.01 -0.04 0.00 -1.02 0.00 0.00 39.78 39.11 1r42 n ASN 546 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1r42 s SER 547 N -2.97 6.26 0.51 6.41 0.15 -0.93 -4.81 113.70 118.32 1r42 s SER 547 Ca 0.00 -1.36 0.30 0.00 0.70 0.00 0.00 55.95 55.59 1r42 s SER 547 Cb 0.00 -2.37 1.08 0.00 -1.71 0.00 0.00 66.02 63.02 1r42 s SER 547 CO 0.00 -1.24 1.88 0.71 1.20 0.00 0.00 173.24 175.79 1r42 h THR 548 N 5.90 0.05 -0.12 6.45 1.35 -1.77 -1.63 112.91 123.15 1r42 h THR 548 Ca -0.21 -0.69 -0.14 0.00 -0.55 0.00 0.00 66.41 64.82 1r42 h THR 548 Cb 1.07 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 69.13 1r42 h THR 548 CO 1.13 0.02 -0.54 -0.08 -0.25 0.00 0.00 175.52 175.80 1r42 h GLU 549 N 0.00 0.34 -0.02 4.72 4.57 -1.83 -0.02 114.58 122.33 1r42 h GLU 549 Ca -0.00 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 57.95 1r42 h GLU 549 Cb 0.65 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1r42 h GLU 549 CO 0.00 0.80 -0.05 0.00 -1.18 0.00 0.00 179.01 178.58 1r42 h ALA 550 N 1.16 0.03 0.00 2.92 0.00 -1.57 -2.72 119.26 119.08 1r42 h ALA 550 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1r42 h ALA 550 Cb 1.04 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1r42 h ALA 550 CO 0.09 -0.13 -0.06 0.78 0.00 0.00 0.00 179.25 179.93 1r42 h GLY 551 N -0.51 0.00 0.49 0.00 0.00 -1.26 -0.72 103.07 101.08 1r42 h GLY 551 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1r42 h GLY 551 CO 0.01 0.00 -0.16 -1.61 0.00 0.00 0.00 176.54 174.78 1r42 h GLN 552 N 0.00 0.16 -0.85 4.80 5.75 -0.97 -0.94 115.11 123.06 1r42 h GLN 552 Ca -0.00 -0.14 0.03 0.00 -0.15 0.00 0.00 58.65 58.39 1r42 h GLN 552 Cb 0.13 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.66 1r42 h GLN 552 CO 0.01 0.80 0.55 0.87 -2.65 0.00 0.00 178.83 178.41 1r42 h LYS 553 N -0.44 1.06 -0.06 1.69 1.57 -1.15 -1.38 116.57 117.87 1r42 h LYS 553 Ca -0.01 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1r42 h LYS 553 Cb 0.84 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 1r42 h LYS 553 CO 0.03 0.70 0.03 1.25 -0.57 0.00 0.00 179.45 180.89 1r42 h LEU 554 N 1.09 0.07 -2.13 2.94 5.85 -1.14 -2.98 115.31 119.02 1r42 h LEU 554 Ca 0.33 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1r42 h LEU 554 Cb -0.04 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 1r42 h LEU 554 CO -0.10 0.17 -0.05 0.15 -0.34 0.00 0.00 178.44 178.28 1r42 h PHE 555 N -0.03 0.00 -0.09 1.25 3.04 -0.66 -2.12 116.94 118.33 1r42 h PHE 555 Ca 0.02 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.93 1r42 h PHE 555 Cb 0.12 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.62 1r42 h PHE 555 CO -0.03 0.05 -0.11 -0.91 -2.02 0.00 0.00 178.31 175.28 1r42 h ASN 556 N 0.00 0.13 0.27 0.41 -0.26 -1.10 -2.23 115.58 112.80 1r42 h ASN 556 Ca -0.00 -0.02 -0.31 0.00 -0.56 0.00 0.00 56.30 55.41 1r42 h ASN 556 Cb 0.10 -0.03 -0.06 0.00 -1.06 0.00 0.00 38.32 37.27 1r42 h ASN 556 CO 0.01 0.26 -2.00 1.15 -1.06 0.00 0.00 177.43 175.79 1r42 n MET 557 N -4.33 0.66 -0.07 0.81 0.00 -0.97 -4.30 117.12 108.91 1r42 n MET 557 Ca -0.01 0.14 -0.09 0.00 0.00 0.00 0.00 57.70 57.73 1r42 n MET 557 Cb 0.23 -1.66 -0.02 0.00 0.00 0.00 0.00 33.22 31.76 1r42 n MET 557 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1r42 h LEU 558 N 0.00 0.29 -0.51 3.17 4.07 -1.17 -2.54 115.31 118.61 1r42 h LEU 558 Ca -0.38 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.57 1r42 h LEU 558 Cb 2.05 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 43.72 1r42 h LEU 558 CO 0.05 0.21 0.00 -2.11 -1.08 0.00 0.00 178.44 175.51 1r42 n ARG 559 N -4.92 0.13 0.18 1.13 1.85 -0.86 -2.58 116.66 111.59 1r42 n ARG 559 Ca -0.02 0.39 0.03 0.00 -1.00 0.00 0.00 57.85 57.25 1r42 n ARG 559 Cb 0.03 -1.75 0.32 0.00 -1.05 0.00 0.00 32.46 30.01 1r42 n ARG 559 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 1r42 h LEU 560 N 0.00 0.00 0.00 2.89 4.07 -1.64 -3.39 115.31 117.24 1r42 h LEU 560 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1r42 h LEU 560 Cb 0.29 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.03 1r42 h LEU 560 CO 0.00 0.43 0.00 0.61 -1.08 0.00 0.00 178.44 178.40 1r42 n GLY 561 N -0.09 3.33 1.32 0.83 0.00 -1.06 -0.79 105.19 108.73 1r42 n GLY 561 Ca -0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 1r42 n GLY 561 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1r42 n LYS 562 N 14.00 2.18 0.12 1.61 4.81 0.19 -3.35 118.16 137.71 1r42 n LYS 562 Ca 0.00 -3.10 0.13 0.00 -0.87 0.00 0.00 58.31 54.47 1r42 n LYS 562 Cb 0.00 -1.90 0.41 0.00 0.02 0.00 0.00 35.03 33.57 1r42 n LYS 562 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1r42 h SER 563 N 1.22 0.00 -2.54 3.14 4.64 -1.14 -3.46 113.55 115.41 1r42 h SER 563 Ca 0.25 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 61.02 1r42 h SER 563 Cb 1.84 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.79 1r42 h SER 563 CO 0.49 0.00 -0.69 -1.61 -0.87 0.00 0.00 176.83 174.14 1r42 s GLU 564 N -3.15 1.63 0.50 4.77 0.41 -1.26 -4.94 118.70 116.66 1r42 s GLU 564 Ca 0.09 -1.81 -0.23 0.00 -0.41 0.00 0.00 54.97 52.61 1r42 s GLU 564 Cb 0.11 -1.41 -0.06 0.00 -1.78 0.00 0.00 34.13 30.99 1r42 s GLU 564 CO 0.56 0.13 1.32 -2.14 -0.49 0.00 0.00 175.26 174.64 1r42 s PRO 565 N -3.65 3.44 0.43 0.39 0.02 -1.26 -4.82 135.00 129.55 1r42 s PRO 565 Ca 0.30 2.15 0.10 0.00 0.02 0.00 0.00 61.00 63.57 1r42 s PRO 565 Cb 0.02 -2.40 0.95 0.00 0.02 0.00 0.00 34.50 33.09 1r42 s PRO 565 CO 0.13 -0.92 2.04 0.11 -0.33 0.00 0.00 177.00 178.03 1r42 h TRP 566 N 1.84 0.29 -0.25 6.54 5.08 -1.93 -0.06 115.95 127.47 1r42 h TRP 566 Ca -0.50 -0.01 0.05 0.00 1.08 0.00 0.00 58.89 59.51 1r42 h TRP 566 Cb 1.28 -0.09 -0.01 0.00 -3.00 0.00 0.00 29.16 27.33 1r42 h TRP 566 CO 0.49 0.25 0.17 1.79 -1.28 0.00 0.00 178.44 179.86 1r42 h THR 567 N 0.30 0.93 0.20 0.12 1.35 -1.86 0.11 112.91 114.07 1r42 h THR 567 Ca 0.08 -0.03 -0.35 0.00 -0.55 0.00 0.00 66.41 65.55 1r42 h THR 567 Cb 0.09 0.82 0.02 0.00 -1.73 0.00 0.00 68.15 67.35 1r42 h THR 567 CO -0.01 0.02 -1.69 0.25 -0.25 0.00 0.00 175.52 173.84 1r42 h LEU 568 N 0.10 0.68 -0.85 3.87 6.46 -1.36 -2.80 115.31 121.41 1r42 h LEU 568 Ca 0.11 -0.93 -0.00 0.00 -0.12 0.00 0.00 57.88 56.94 1r42 h LEU 568 Cb 0.32 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 39.99 1r42 h LEU 568 CO -0.01 1.77 0.53 0.00 -0.62 0.00 0.00 178.44 180.11 1r42 h ALA 569 N 0.13 1.08 0.20 1.25 0.00 -0.74 0.14 119.26 121.32 1r42 h ALA 569 Ca -0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1r42 h ALA 569 Cb 2.12 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1r42 h ALA 569 CO 0.20 0.53 -0.09 1.25 0.00 0.00 0.00 179.25 181.14 1r42 h LEU 570 N 1.17 -0.22 -0.82 0.00 6.46 -0.89 -2.82 115.31 118.18 1r42 h LEU 570 Ca 0.31 -0.00 0.12 0.00 -0.12 0.00 0.00 57.88 58.19 1r42 h LEU 570 Cb -0.07 0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 39.83 1r42 h LEU 570 CO -0.06 -0.15 0.43 -0.08 -0.62 0.00 0.00 178.44 177.96 1r42 h GLU 571 N -0.27 0.65 -0.08 1.25 4.81 -0.95 0.35 114.58 120.33 1r42 h GLU 571 Ca -0.03 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1r42 h GLU 571 Cb 0.21 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1r42 h GLU 571 CO 0.04 0.43 0.14 -0.91 -0.73 0.00 0.00 179.01 177.98 1r42 h ASN 572 N 0.67 0.00 0.00 1.04 4.21 -0.48 -0.74 115.58 120.27 1r42 h ASN 572 Ca 0.43 0.00 -0.37 0.00 1.21 0.00 0.00 56.30 57.57 1r42 h ASN 572 Cb 0.52 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.66 1r42 h ASN 572 CO -0.31 0.00 -2.28 0.52 -1.29 0.00 0.00 177.43 174.06 1r42 n VAL 573 N -3.47 1.27 0.76 2.81 0.31 0.61 -4.76 118.33 115.86 1r42 n VAL 573 Ca -0.01 -0.39 0.09 0.00 -0.01 0.00 0.00 64.34 64.02 1r42 n VAL 573 Cb 0.23 -1.61 0.01 0.00 -0.91 0.00 0.00 33.84 31.56 1r42 n VAL 573 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1r42 n VAL 574 N -3.69 0.00 -1.01 2.52 0.24 0.90 -4.78 118.33 112.50 1r42 n VAL 574 Ca -0.43 -0.35 -0.00 0.00 -2.04 0.00 0.00 64.34 61.51 1r42 n VAL 574 Cb 0.86 1.23 -0.00 0.00 -1.47 0.00 0.00 33.84 34.46 1r42 n VAL 574 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1r42 n GLY 575 N 1.17 0.41 3.24 7.63 0.00 -0.29 -4.98 105.19 112.37 1r42 n GLY 575 Ca 0.08 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 1r42 n GLY 575 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r42 s ALA 576 N -2.01 -0.62 -2.28 4.61 0.00 -1.26 -5.00 121.76 115.21 1r42 s ALA 576 Ca 0.00 -0.03 0.23 0.00 0.00 0.00 0.00 51.96 52.16 1r42 s ALA 576 Cb 0.00 0.30 0.53 0.00 0.00 0.00 0.00 23.12 23.94 1r42 s ALA 576 CO 0.00 -0.39 1.47 0.36 0.00 0.00 0.00 175.76 177.20 1r42 n LYS 577 N 0.65 2.61 -4.25 0.00 2.85 -1.26 -2.26 118.16 116.49 1r42 n LYS 577 Ca -0.19 -2.46 -0.14 0.00 -1.05 0.00 0.00 58.31 54.47 1r42 n LYS 577 Cb 0.59 -1.54 -0.10 0.00 -0.65 0.00 0.00 35.03 33.33 1r42 n LYS 577 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1r42 s ASN 578 N -1.28 1.27 0.15 -5.58 3.84 -1.26 -4.66 114.94 107.42 1r42 s ASN 578 Ca 0.44 -1.19 -0.31 0.00 0.21 0.00 0.00 52.86 52.01 1r42 s ASN 578 Cb 0.24 0.11 -0.09 0.00 -0.55 0.00 0.00 41.25 40.96 1r42 s ASN 578 CO 0.33 -0.57 1.50 -0.32 -2.79 0.00 0.00 177.10 175.25 1r42 s MET 579 N -3.92 4.25 -0.01 0.43 0.00 -1.26 -5.01 119.30 113.79 1r42 s MET 579 Ca 0.25 2.26 0.01 0.00 0.00 0.00 0.00 55.69 58.21 1r42 s MET 579 Cb 0.06 -3.18 0.00 0.00 0.00 0.00 0.00 34.83 31.71 1r42 s MET 579 CO 0.05 -0.54 -0.04 1.21 0.00 0.00 0.00 175.02 175.70 1r42 s ASN 580 N 1.09 0.63 0.00 1.11 3.04 -1.26 -5.02 114.94 114.53 1r42 s ASN 580 Ca 0.68 -0.09 0.25 0.00 0.04 0.00 0.00 52.86 53.73 1r42 s ASN 580 Cb -0.41 -0.15 0.42 0.00 -1.54 0.00 0.00 41.25 39.57 1r42 s ASN 580 CO 0.31 0.03 1.35 0.55 -3.04 0.00 0.00 177.10 176.30 1r42 n VAL 581 N 3.27 0.00 -0.30 -5.21 3.14 -1.26 -4.43 118.33 113.55 1r42 n VAL 581 Ca -0.17 -0.04 0.04 0.00 -2.96 0.00 0.00 64.34 61.21 1r42 n VAL 581 Cb 0.56 0.45 0.18 0.00 -1.06 0.00 0.00 33.84 33.97 1r42 n VAL 581 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 1r42 h ARG 582 N 0.38 0.74 -0.50 1.45 3.08 -1.97 -1.98 114.38 115.58 1r42 h ARG 582 Ca 0.00 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1r42 h ARG 582 Cb 0.51 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1r42 h ARG 582 CO 0.00 0.49 0.13 -1.35 -1.07 0.00 0.00 179.97 178.17 1r42 h PRO 583 N 0.77 0.75 -0.24 0.04 0.11 -1.88 0.25 132.00 131.80 1r42 h PRO 583 Ca 0.41 -0.14 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 1r42 h PRO 583 Cb 0.43 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1r42 h PRO 583 CO -0.27 0.68 0.13 1.25 -0.21 0.00 0.00 178.00 179.57 1r42 h LEU 584 N 0.73 0.30 -1.06 2.35 6.46 -1.66 -0.93 115.31 121.50 1r42 h LEU 584 Ca 0.16 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1r42 h LEU 584 Cb 0.26 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.08 1r42 h LEU 584 CO -0.00 0.31 0.46 -0.07 -0.62 0.00 0.00 178.44 178.52 1r42 h LEU 585 N 0.27 0.99 -0.73 2.25 4.07 -0.95 -1.91 115.31 119.31 1r42 h LEU 585 Ca 0.08 -0.07 -0.08 0.00 0.08 0.00 0.00 57.88 57.89 1r42 h LEU 585 Cb 0.08 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.54 1r42 h LEU 585 CO -0.01 0.78 0.06 0.78 -1.08 0.00 0.00 178.44 178.96 1r42 h ASN 586 N 1.13 1.00 -0.50 -0.43 -0.26 -0.03 -0.03 115.58 116.45 1r42 h ASN 586 Ca 0.29 -0.25 0.06 0.00 -0.56 0.00 0.00 56.30 55.84 1r42 h ASN 586 Cb -0.01 -0.27 -0.05 0.00 -1.06 0.00 0.00 38.32 36.93 1r42 h ASN 586 CO -0.05 1.02 0.20 0.22 -1.06 0.00 0.00 177.43 177.76 1r42 h TYR 587 N 0.96 0.36 -0.02 1.19 3.20 -0.40 -2.82 116.97 119.44 1r42 h TYR 587 Ca 0.18 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1r42 h TYR 587 Cb 0.48 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1r42 h TYR 587 CO 0.03 0.14 -0.03 1.19 -1.64 0.00 0.00 178.16 177.85 1r42 n PHE 588 N -4.97 0.00 -0.29 -3.82 3.01 -0.96 -4.50 117.46 105.94 1r42 n PHE 588 Ca 0.05 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.63 1r42 n PHE 588 Cb 0.18 -0.01 0.27 0.00 -0.01 0.00 0.00 39.48 39.91 1r42 n PHE 588 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1r42 h GLU 589 N 2.46 0.27 -0.89 -1.08 4.39 -0.74 0.81 114.58 119.80 1r42 h GLU 589 Ca 0.00 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.72 1r42 h GLU 589 Cb 0.55 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.08 1r42 h GLU 589 CO 0.00 0.18 0.58 -1.35 -1.16 0.00 0.00 179.01 177.26 1r42 h PRO 590 N 0.28 1.07 -0.08 2.33 0.11 -1.82 -1.61 132.00 132.30 1r42 h PRO 590 Ca 0.53 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 66.41 1r42 h PRO 590 Cb 1.02 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1r42 h PRO 590 CO -0.59 0.71 -0.67 1.25 -0.21 0.00 0.00 178.00 178.50 1r42 h LEU 591 N 1.11 0.38 -0.96 2.35 5.85 -1.45 -2.98 115.31 119.62 1r42 h LEU 591 Ca 0.36 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1r42 h LEU 591 Cb 0.03 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1r42 h LEU 591 CO -0.13 0.94 0.02 0.15 -0.34 0.00 0.00 178.44 179.08 1r42 h PHE 592 N 0.23 0.82 0.00 1.25 3.57 -0.21 0.22 116.94 122.83 1r42 h PHE 592 Ca -0.02 -0.11 -0.20 0.00 3.53 0.00 0.00 57.97 61.17 1r42 h PHE 592 Cb 1.21 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1r42 h PHE 592 CO 0.03 0.75 -0.89 1.79 -2.23 0.00 0.00 178.31 177.77 1r42 h THR 593 N 0.73 1.48 -0.24 4.41 1.35 -1.33 -2.45 112.91 116.86 1r42 h THR 593 Ca 0.15 -2.60 -0.09 0.00 -0.55 0.00 0.00 66.41 63.32 1r42 h THR 593 Cb 0.42 2.46 -0.00 0.00 -1.73 0.00 0.00 68.15 69.30 1r42 h THR 593 CO 0.02 0.76 -0.20 -0.25 -0.25 0.00 0.00 175.52 175.59 1r42 h TRP 594 N 0.13 0.68 0.11 4.73 7.01 -1.33 -2.93 115.95 124.34 1r42 h TRP 594 Ca -0.05 -0.19 0.01 0.00 2.11 0.00 0.00 58.89 60.77 1r42 h TRP 594 Cb 1.52 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 28.41 1r42 h TRP 594 CO 0.03 0.88 -0.18 -0.07 -2.79 0.00 0.00 178.44 176.31 1r42 h LEU 595 N 0.28 -0.50 -0.53 0.65 4.07 -0.55 -0.41 115.31 118.31 1r42 h LEU 595 Ca 0.04 0.06 0.11 0.00 0.08 0.00 0.00 57.88 58.17 1r42 h LEU 595 Cb 0.75 0.19 -0.10 0.00 1.08 0.00 0.00 40.66 42.57 1r42 h LEU 595 CO 0.05 -0.26 -0.15 0.11 -1.08 0.00 0.00 178.44 177.11 1r42 h LYS 596 N -0.35 -0.02 -0.47 1.13 1.57 -1.46 0.16 116.57 117.13 1r42 h LYS 596 Ca 0.02 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1r42 h LYS 596 Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1r42 h LYS 596 CO -0.10 -0.01 0.14 0.22 -0.57 0.00 0.00 179.45 179.13 1r42 h ASP 597 N -0.02 0.63 0.07 0.86 3.58 -1.29 -2.00 116.42 118.25 1r42 h ASP 597 Ca 0.25 -0.09 -0.11 0.00 0.42 0.00 0.00 57.03 57.51 1r42 h ASP 597 Cb 0.41 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 1r42 h ASP 597 CO -0.56 0.61 -0.35 1.56 -2.88 0.00 0.00 179.24 177.62 1r42 h GLN 598 N 0.68 0.39 -0.68 0.28 1.08 0.73 -2.73 115.11 114.87 1r42 h GLN 598 Ca 0.16 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1r42 h GLN 598 Cb 0.22 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1r42 h GLN 598 CO -0.01 0.70 0.00 0.09 -0.95 0.00 0.00 178.83 178.66 1r42 n ASN 599 N -4.06 3.24 -0.35 1.46 5.03 0.36 -4.47 115.26 116.47 1r42 n ASN 599 Ca -0.01 -2.38 0.13 0.00 0.87 0.00 0.00 54.58 53.19 1r42 n ASN 599 Cb 0.46 -0.52 0.32 0.00 -1.02 0.00 0.00 39.78 39.03 1r42 n ASN 599 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 1r42 h LYS 600 N 2.25 0.73 -0.01 3.52 1.63 -1.09 -2.14 116.57 121.45 1r42 h LYS 600 Ca 0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1r42 h LYS 600 Cb 1.11 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.58 1r42 h LYS 600 CO 0.20 0.48 -0.31 0.27 -3.45 0.00 0.00 179.45 176.64 1r42 n ASN 601 N -4.78 1.50 -4.92 4.20 6.94 -1.26 -5.02 115.26 111.91 1r42 n ASN 601 Ca 0.23 -1.25 -0.26 0.00 -0.02 0.00 0.00 54.58 53.28 1r42 n ASN 601 Cb 0.58 0.48 0.06 0.00 -2.36 0.00 0.00 39.78 38.54 1r42 n ASN 601 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1r42 s SER 602 N -1.78 5.08 -0.18 0.53 0.01 -0.81 -5.05 113.70 111.51 1r42 s SER 602 Ca 0.12 0.56 -0.21 0.00 1.31 0.00 0.00 55.95 57.74 1r42 s SER 602 Cb 0.12 -1.32 -0.03 0.00 0.21 0.00 0.00 66.02 64.99 1r42 s SER 602 CO 0.37 -1.42 0.61 0.12 0.41 0.00 0.00 173.24 173.33 1r42 s PHE 603 N -3.17 3.41 -0.30 2.43 2.19 -1.26 -5.01 117.98 116.27 1r42 s PHE 603 Ca 0.58 0.94 -0.11 0.00 0.33 0.00 0.00 56.93 58.67 1r42 s PHE 603 Cb -0.11 -2.76 -0.03 0.00 -1.31 0.00 0.00 43.02 38.81 1r42 s PHE 603 CO 0.45 -0.11 0.18 0.08 1.83 0.00 0.00 175.22 177.66 1r42 s VAL 604 N 1.64 5.05 0.00 3.12 1.01 -1.26 -4.79 120.40 125.17 1r42 s VAL 604 Ca 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1r42 s VAL 604 Cb -0.16 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1r42 s VAL 604 CO 0.11 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1r42 n GLY 605 N 5.04 -0.23 3.34 4.51 0.00 -1.26 -5.07 105.19 111.52 1r42 n GLY 605 Ca -0.14 -2.24 -0.11 0.00 0.00 0.00 0.00 46.02 43.53 1r42 n GLY 605 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1r42 s TRP 606 N 0.00 -0.28 -0.14 1.61 -2.14 -1.26 -4.79 118.94 111.93 1r42 s TRP 606 Ca 0.00 0.01 -0.08 0.00 2.66 0.00 0.00 56.10 58.68 1r42 s TRP 606 Cb 0.00 0.32 -0.04 0.00 -3.10 0.00 0.00 33.47 30.65 1r42 s TRP 606 CO 0.00 -0.73 0.15 0.45 -2.66 0.00 0.00 176.95 174.16 1r42 s SER 607 N -2.75 6.35 0.00 -2.66 0.15 -0.02 -4.98 113.70 109.79 1r42 s SER 607 Ca 0.02 0.41 0.24 0.00 0.70 0.00 0.00 55.95 57.33 1r42 s SER 607 Cb 0.01 -2.08 0.96 0.00 -1.71 0.00 0.00 66.02 63.20 1r42 s SER 607 CO -0.12 0.34 1.68 0.35 1.20 0.00 0.00 173.24 176.69 1r42 n THR 608 N 2.43 0.10 0.08 6.45 -2.24 -1.26 -3.94 114.28 115.89 1r42 n THR 608 Ca -0.19 -0.27 -0.23 0.00 -2.27 0.00 0.00 64.05 61.09 1r42 n THR 608 Cb 0.54 0.35 -0.15 0.00 -2.10 0.00 0.00 70.33 68.97 1r42 n THR 608 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1r42 h ASP 609 N 2.06 0.62 -4.04 3.42 3.45 -1.97 -3.47 116.42 116.49 1r42 h ASP 609 Ca 0.00 -0.92 -0.54 0.00 0.43 0.00 0.00 57.03 56.00 1r42 h ASP 609 Cb 0.44 -0.20 0.13 0.00 -0.56 0.00 0.00 39.33 39.14 1r42 h ASP 609 CO 0.00 1.67 0.60 0.86 -1.57 0.00 0.00 179.24 180.80 1r42 s TRP 610 N -2.54 2.38 0.02 4.55 -0.00 -1.26 -5.00 118.94 117.09 1r42 s TRP 610 Ca -0.14 1.39 -0.22 0.00 -0.00 0.00 0.00 56.10 57.12 1r42 s TRP 610 Cb 0.04 -3.76 0.05 0.00 -0.00 0.00 0.00 33.47 29.80 1r42 s TRP 610 CO 0.86 -2.72 0.49 -1.54 -0.00 0.00 0.00 176.95 174.04 1r42 s SER 611 N -0.96 -0.41 0.55 5.86 1.04 -1.26 -4.75 113.70 113.77 1r42 s SER 611 Ca 0.69 0.23 0.26 0.00 0.48 0.00 0.00 55.95 57.61 1r42 s SER 611 Cb -0.39 0.45 1.46 0.00 0.10 0.00 0.00 66.02 67.64 1r42 s SER 611 CO 0.47 -0.64 2.02 -0.65 0.98 0.00 0.00 173.24 175.42 1r42 h PRO 612 N 3.07 0.00 -0.21 4.02 0.11 -1.84 -2.23 132.00 134.92 1r42 h PRO 612 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1r42 h PRO 612 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1r42 h PRO 612 CO 0.41 0.00 0.00 2.48 -0.21 0.00 0.00 178.00 180.68 1r42 n TYR 613 N -4.18 0.26 0.28 0.65 0.18 -1.26 -4.56 117.16 108.53 1r42 n TYR 613 Ca 0.07 -0.17 0.12 0.00 1.88 0.00 0.00 57.90 59.80 1r42 n TYR 613 Cb 0.51 -0.00 0.64 0.00 -0.38 0.00 0.00 39.34 40.11 1r42 n TYR 613 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1r42 h ALA 614 N 3.65 1.32 0.00 -3.48 0.00 -1.79 -3.53 119.26 115.43 1r42 h ALA 614 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r42 h ALA 614 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1r42 h ALA 614 CO 0.00 -0.32 0.00 -0.40 0.00 0.00 0.00 179.25 178.53