#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xw2 s PHE 2 N 0.00 2.93 -0.77 0.00 5.36 -1.20 -4.66 117.98 119.63 1xw2 s PHE 2 Ca 0.00 0.42 -0.25 0.00 -0.96 0.00 0.00 56.93 56.14 1xw2 s PHE 2 Cb 0.00 -4.10 0.05 0.00 -0.34 0.00 0.00 43.02 38.63 1xw2 s PHE 2 CO 0.00 -4.10 1.23 1.21 -1.46 0.00 0.00 175.22 172.10 1xw2 s ASN 3 N 1.13 6.24 0.00 6.13 3.84 -1.26 -4.85 114.94 126.16 1xw2 s ASN 3 Ca 0.73 -0.80 0.07 0.00 0.21 0.00 0.00 52.86 53.08 1xw2 s ASN 3 Cb -0.48 -2.52 0.22 0.00 -0.55 0.00 0.00 41.25 37.91 1xw2 s ASN 3 CO 0.33 -1.67 1.18 -0.46 -2.79 0.00 0.00 177.10 173.69 1xw2 n ASN 4 N 8.81 1.14 -3.22 -4.21 6.94 -1.26 -4.14 115.26 119.32 1xw2 n ASN 4 Ca 0.07 -1.98 -0.25 0.00 -0.02 0.00 0.00 54.58 52.40 1xw2 n ASN 4 Cb 0.49 -0.14 -0.06 0.00 -2.36 0.00 0.00 39.78 37.70 1xw2 n ASN 4 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1xw2 n ASN 5 N 0.12 2.82 -4.77 0.53 5.15 -1.26 -4.42 115.26 113.41 1xw2 n ASN 5 Ca 0.08 -3.29 -0.41 0.00 -0.60 0.00 0.00 54.58 50.35 1xw2 n ASN 5 Cb 0.18 -0.63 -0.01 0.00 -0.53 0.00 0.00 39.78 38.80 1xw2 n ASN 5 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1xw2 s PRO 6 N -2.46 4.16 0.47 1.20 0.04 -1.26 -4.92 135.00 132.24 1xw2 s PRO 6 Ca 0.41 2.49 -0.24 0.00 0.04 0.00 0.00 61.00 63.71 1xw2 s PRO 6 Cb 0.21 -3.00 -0.07 0.00 0.04 0.00 0.00 34.50 31.68 1xw2 s PRO 6 CO -0.07 -0.47 1.32 0.45 0.04 0.00 0.00 177.00 178.26 1xw2 s SER 7 N -0.12 5.86 0.02 6.66 0.15 -1.26 -4.64 113.70 120.36 1xw2 s SER 7 Ca 0.53 2.68 0.24 0.00 0.70 0.00 0.00 55.95 60.10 1xw2 s SER 7 Cb -0.45 -2.63 1.03 0.00 -1.71 0.00 0.00 66.02 62.25 1xw2 s SER 7 CO 0.59 -1.16 1.78 -1.54 1.20 0.00 0.00 173.24 174.11 1xw2 n SER 8 N -0.43 0.07 -4.66 5.45 3.41 -1.26 -0.86 113.62 115.34 1xw2 n SER 8 Ca 0.07 0.51 -0.37 0.00 -0.26 0.00 0.00 58.87 58.82 1xw2 n SER 8 Cb 0.45 -0.53 -0.09 0.00 -0.26 0.00 0.00 64.21 63.78 1xw2 n SER 8 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xw2 s VAL 9 N -3.02 5.32 0.65 -3.33 0.11 -1.26 -4.29 120.40 114.59 1xw2 s VAL 9 Ca 0.11 0.31 -0.11 0.00 -2.93 0.00 0.00 61.98 59.37 1xw2 s VAL 9 Cb 0.16 -3.56 -0.02 0.00 -1.53 0.00 0.00 36.38 31.43 1xw2 s VAL 9 CO 0.45 0.32 1.04 -0.83 -3.33 0.00 0.00 175.10 172.76 1xw2 s GLY 10 N 1.05 1.66 0.46 6.54 0.00 -1.24 -4.53 107.32 111.25 1xw2 s GLY 10 Ca 0.10 -0.06 0.12 0.00 0.00 0.00 0.00 44.72 44.88 1xw2 s GLY 10 CO 0.05 0.23 2.08 0.00 0.00 0.00 0.00 173.10 175.46 1xw2 h ALA 11 N -0.47 1.81 -0.94 3.20 0.00 -0.55 -1.55 119.26 120.76 1xw2 h ALA 11 Ca -0.44 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xw2 h ALA 11 Cb 1.20 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1xw2 h ALA 11 CO 0.61 0.16 0.57 -0.92 0.00 0.00 0.00 179.25 179.66 1xw2 h TYR 12 N 0.25 1.23 0.01 0.00 3.20 -1.40 0.17 116.97 120.43 1xw2 h TYR 12 Ca 0.06 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1xw2 h TYR 12 Cb 0.03 -0.41 0.00 0.00 1.54 0.00 0.00 36.73 37.90 1xw2 h TYR 12 CO 0.00 0.81 -0.09 1.03 -1.64 0.00 0.00 178.16 178.28 1xw2 h SER 13 N 1.29 0.06 1.11 -2.11 0.87 -1.63 -3.38 113.55 109.76 1xw2 h SER 13 Ca 0.34 -0.89 -0.17 0.00 -1.23 0.00 0.00 61.79 59.84 1xw2 h SER 13 Cb -0.06 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 1xw2 h SER 13 CO -0.06 0.95 -0.93 0.77 -0.53 0.00 0.00 176.83 177.02 1xw2 h SER 14 N -0.81 0.00 0.00 6.23 4.64 -1.27 -3.48 113.55 118.86 1xw2 h SER 14 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1xw2 h SER 14 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1xw2 h SER 14 CO 0.02 0.71 0.00 0.61 -0.87 0.00 0.00 176.83 177.30 1xw2 n GLY 15 N 1.32 0.93 3.47 -0.77 0.00 0.61 -5.01 105.19 105.74 1xw2 n GLY 15 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1xw2 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xw2 s THR 16 N -3.71 4.91 -0.17 2.61 2.01 -1.25 -5.03 115.64 115.03 1xw2 s THR 16 Ca 0.00 -0.32 -0.13 0.00 0.31 0.00 0.00 61.69 61.55 1xw2 s THR 16 Cb 0.00 -4.22 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 1xw2 s THR 16 CO 0.00 -0.67 0.26 -0.31 -0.69 0.00 0.00 174.62 173.21 1xw2 s TYR 17 N 2.56 3.46 0.48 4.92 1.51 -1.26 -4.27 117.35 124.75 1xw2 s TYR 17 Ca 0.16 0.54 -0.22 0.00 -1.01 0.00 0.00 57.07 56.54 1xw2 s TYR 17 Cb -0.18 -2.29 -0.07 0.00 -0.11 0.00 0.00 41.96 39.31 1xw2 s TYR 17 CO 0.14 0.26 1.20 1.03 -1.11 0.00 0.00 175.55 177.07 1xw2 s ARG 18 N 0.40 3.61 -0.55 -0.62 0.52 -1.26 -4.94 118.95 116.11 1xw2 s ARG 18 Ca 0.15 1.84 -0.00 0.00 -0.52 0.00 0.00 55.73 57.20 1xw2 s ARG 18 Cb -0.13 -2.34 0.14 0.00 0.52 0.00 0.00 34.95 33.14 1xw2 s ARG 18 CO 0.03 -0.69 0.33 1.21 0.02 0.00 0.00 175.30 176.19 1xw2 s ASN 19 N -1.33 4.92 0.22 0.23 3.84 -1.26 -3.20 114.94 118.36 1xw2 s ASN 19 Ca 0.66 -2.76 -0.09 0.00 0.21 0.00 0.00 52.86 50.87 1xw2 s ASN 19 Cb -0.30 -1.77 0.18 0.00 -0.55 0.00 0.00 41.25 38.81 1xw2 s ASN 19 CO 0.36 -0.35 1.89 0.25 -2.79 0.00 0.00 177.10 176.47 1xw2 h LEU 20 N 7.02 0.94 -1.28 3.21 5.85 -1.69 -1.41 115.31 127.95 1xw2 h LEU 20 Ca -0.05 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1xw2 h LEU 20 Cb 0.95 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1xw2 h LEU 20 CO 0.69 0.68 0.44 0.00 -0.34 0.00 0.00 178.44 179.91 1xw2 h ALA 21 N 1.30 1.47 -0.23 1.25 0.00 -1.21 -1.02 119.26 120.82 1xw2 h ALA 21 Ca 0.30 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1xw2 h ALA 21 Cb -0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 1xw2 h ALA 21 CO -0.06 0.48 -0.08 0.37 0.00 0.00 0.00 179.25 179.96 1xw2 h GLN 22 N 0.95 0.45 -0.93 0.00 4.15 -1.64 -0.96 115.11 117.13 1xw2 h GLN 22 Ca 0.25 -0.18 0.15 0.00 0.77 0.00 0.00 58.65 59.64 1xw2 h GLN 22 Cb -0.08 -0.02 -0.08 0.00 0.21 0.00 0.00 27.48 27.51 1xw2 h GLN 22 CO -0.05 0.71 0.59 0.93 -1.93 0.00 0.00 178.83 179.08 1xw2 h GLU 23 N 0.18 0.71 -0.07 1.69 5.08 -0.83 -0.68 114.58 120.65 1xw2 h GLU 23 Ca 0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1xw2 h GLU 23 Cb 0.55 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1xw2 h GLU 23 CO 0.03 0.47 0.00 -1.33 -1.00 0.00 0.00 179.01 177.17 1xw2 n MET 24 N -4.60 1.22 -1.09 2.33 2.81 -0.43 -0.78 117.12 116.58 1xw2 n MET 24 Ca 0.19 -0.33 -0.03 0.00 -1.81 0.00 0.00 57.70 55.72 1xw2 n MET 24 Cb 0.49 -1.23 -0.01 0.00 -0.71 0.00 0.00 33.22 31.75 1xw2 n MET 24 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xw2 n GLY 25 N 0.80 0.63 3.84 3.03 0.00 -0.26 -4.98 105.19 108.25 1xw2 n GLY 25 Ca 0.10 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 1xw2 n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xw2 s LYS 26 N -2.25 3.98 0.38 1.61 -0.14 -0.39 -5.02 119.74 117.92 1xw2 s LYS 26 Ca 0.00 0.89 0.08 0.00 -1.36 0.00 0.00 55.97 55.58 1xw2 s LYS 26 Cb 0.00 -2.21 -0.07 0.00 -1.68 0.00 0.00 37.83 33.88 1xw2 s LYS 26 CO 0.00 -0.15 0.01 0.95 -0.76 0.00 0.00 175.35 175.40 1xw2 s THR 27 N -2.45 2.21 -1.61 2.17 -4.23 -1.26 -4.60 115.64 105.86 1xw2 s THR 27 Ca 0.58 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.94 1xw2 s THR 27 Cb -0.10 -2.88 0.12 0.00 1.34 0.00 0.00 72.50 70.98 1xw2 s THR 27 CO 0.26 -0.08 0.83 0.59 -0.54 0.00 0.00 174.62 175.69 1xw2 n ASN 28 N -0.97 -3.61 0.08 3.99 5.03 -1.26 -4.89 115.26 113.64 1xw2 n ASN 28 Ca -0.04 -0.92 -0.13 0.00 0.87 0.00 0.00 54.58 54.36 1xw2 n ASN 28 Cb 0.65 -3.24 -0.08 0.00 -1.02 0.00 0.00 39.78 36.09 1xw2 n ASN 28 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1xw2 h ILE 29 N -1.76 0.97 -0.57 2.41 2.04 -1.99 -2.39 117.51 116.21 1xw2 h ILE 29 Ca -0.59 -0.51 -0.07 0.00 1.00 0.00 0.00 64.86 64.68 1xw2 h ILE 29 Cb 1.38 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.73 1xw2 h ILE 29 CO 0.72 0.12 0.06 1.56 0.00 0.00 0.00 178.15 180.62 1xw2 h GLN 30 N -0.44 0.95 -0.65 2.37 1.08 -1.95 -1.34 115.11 115.12 1xw2 h GLN 30 Ca -0.02 -0.25 0.07 0.00 -1.45 0.00 0.00 58.65 57.00 1xw2 h GLN 30 Cb 0.35 -0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.61 1xw2 h GLN 30 CO 0.03 0.90 0.34 0.37 -0.95 0.00 0.00 178.83 179.52 1xw2 h GLN 31 N 0.89 0.60 -0.53 1.46 5.75 -1.95 0.34 115.11 121.66 1xw2 h GLN 31 Ca 0.18 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.56 1xw2 h GLN 31 Cb 0.44 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 1xw2 h GLN 31 CO 0.01 0.40 0.04 -0.22 -2.65 0.00 0.00 178.83 176.41 1xw2 h LYS 32 N 0.62 0.92 -0.18 1.69 3.64 -0.87 -0.10 116.57 122.28 1xw2 h LYS 32 Ca 0.30 -0.27 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1xw2 h LYS 32 Cb 0.25 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1xw2 h LYS 32 CO -0.21 0.92 0.09 0.28 -2.27 0.00 0.00 179.45 178.25 1xw2 h VAL 33 N 0.79 1.00 -0.44 2.00 2.07 -0.91 -1.40 116.25 119.35 1xw2 h VAL 33 Ca 0.16 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 1xw2 h VAL 33 Cb 0.48 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1xw2 h VAL 33 CO 0.02 0.04 0.20 0.78 0.02 0.00 0.00 177.57 178.63 1xw2 h ASN 34 N 0.20 0.59 -0.51 0.57 2.35 -0.72 -2.36 115.58 115.69 1xw2 h ASN 34 Ca 0.07 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.62 1xw2 h ASN 34 Cb 0.01 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1xw2 h ASN 34 CO -0.05 0.57 0.09 0.28 -1.65 0.00 0.00 177.43 176.67 1xw2 h SER 35 N 0.57 0.84 -0.10 5.81 0.02 -0.96 -0.47 113.55 119.27 1xw2 h SER 35 Ca 0.15 -0.18 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1xw2 h SER 35 Cb 0.14 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1xw2 h SER 35 CO -0.02 0.85 -0.02 0.74 -1.14 0.00 0.00 176.83 177.24 1xw2 h THR 36 N 0.84 0.91 -0.08 -2.27 2.02 -1.01 0.06 112.91 113.38 1xw2 h THR 36 Ca 0.18 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.35 1xw2 h THR 36 Cb 0.37 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1xw2 h THR 36 CO 0.01 0.00 0.04 0.15 0.37 0.00 0.00 175.52 176.09 1xw2 h PHE 37 N 0.00 0.11 -0.94 3.16 3.04 -1.20 -1.81 116.94 119.30 1xw2 h PHE 37 Ca 0.05 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.07 1xw2 h PHE 37 Cb 0.07 -0.04 -0.07 0.00 2.56 0.00 0.00 35.95 38.47 1xw2 h PHE 37 CO -0.15 0.15 0.59 -0.44 -2.02 0.00 0.00 178.31 176.44 1xw2 h ASP 38 N 0.04 0.91 0.11 0.41 3.32 -0.78 0.77 116.42 121.19 1xw2 h ASP 38 Ca 0.03 0.03 -0.22 0.00 0.02 0.00 0.00 57.03 56.88 1xw2 h ASP 38 Cb 0.08 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.47 1xw2 h ASP 38 CO -0.00 0.55 -0.86 0.78 -1.72 0.00 0.00 179.24 177.98 1xw2 h ASN 39 N 1.02 0.71 -0.13 6.45 2.35 -0.92 -1.68 115.58 123.38 1xw2 h ASN 39 Ca 0.43 -0.51 -0.10 0.00 -0.55 0.00 0.00 56.30 55.56 1xw2 h ASN 39 Cb 0.27 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1xw2 h ASN 39 CO -0.20 1.30 -0.25 -0.03 -1.65 0.00 0.00 177.43 176.60 1xw2 h MET 40 N 0.36 0.58 -0.79 0.81 4.05 -0.83 -3.00 114.93 116.12 1xw2 h MET 40 Ca -0.07 -0.23 -0.53 0.00 -0.28 0.00 0.00 59.70 58.59 1xw2 h MET 40 Cb 1.48 -0.03 -0.31 0.00 -0.80 0.00 0.00 31.60 31.94 1xw2 h MET 40 CO 0.16 0.78 0.03 1.19 0.23 0.00 0.00 176.91 179.31 1xw2 n PHE 41 N -4.11 2.66 -4.25 1.39 3.01 0.22 -0.87 117.46 115.51 1xw2 n PHE 41 Ca -0.00 -2.41 -0.19 0.00 1.01 0.00 0.00 57.45 55.86 1xw2 n PHE 41 Cb 0.42 -0.83 -0.11 0.00 -0.01 0.00 0.00 39.48 38.95 1xw2 n PHE 41 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1xw2 s GLY 42 N -2.62 1.12 -1.36 1.37 0.00 -0.64 -4.89 107.32 100.30 1xw2 s GLY 42 Ca 0.56 -1.32 -0.10 0.00 0.00 0.00 0.00 44.72 43.86 1xw2 s GLY 42 CO 0.02 -1.37 2.14 -1.72 0.00 0.00 0.00 173.10 172.17 1xw2 n TYR 43 N 0.53 2.95 0.30 1.90 4.01 -1.26 -4.46 117.16 121.12 1xw2 n TYR 43 Ca -0.15 -2.86 0.03 0.00 -0.16 0.00 0.00 57.90 54.76 1xw2 n TYR 43 Cb 0.57 -2.11 -0.03 0.00 -0.31 0.00 0.00 39.34 37.46 1xw2 n TYR 43 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1xw2 n ASN 44 N 3.94 0.50 -1.76 7.72 0.23 -1.26 -5.00 115.26 119.63 1xw2 n ASN 44 Ca 0.50 -0.75 -0.09 0.00 -0.53 0.00 0.00 54.58 53.71 1xw2 n ASN 44 Cb 0.34 0.85 -0.02 0.00 -2.08 0.00 0.00 39.78 38.86 1xw2 n ASN 44 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1xw2 n ASN 45 N -0.92 -2.64 0.00 0.53 4.05 -1.26 -4.76 115.26 110.26 1xw2 n ASN 45 Ca 0.02 0.24 0.00 0.00 0.45 0.00 0.00 54.58 55.29 1xw2 n ASN 45 Cb 0.11 -2.47 0.00 0.00 1.23 0.00 0.00 39.78 38.65 1xw2 n ASN 45 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1xw2 n THR 46 N -2.23 0.00 0.31 -0.44 -1.04 -1.26 -4.79 114.28 104.83 1xw2 n THR 46 Ca -0.10 0.06 0.12 0.00 -2.04 0.00 0.00 64.05 62.10 1xw2 n THR 46 Cb 0.41 -0.91 0.08 0.00 -1.82 0.00 0.00 70.33 68.09 1xw2 n THR 46 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1xw2 h GLN 47 N 0.00 0.00 -6.32 -2.82 7.50 -1.78 -3.33 115.11 108.36 1xw2 h GLN 47 Ca 0.00 0.00 -0.66 0.00 0.50 0.00 0.00 58.65 58.49 1xw2 h GLN 47 Cb 0.00 0.00 0.06 0.00 0.05 0.00 0.00 27.48 27.59 1xw2 h GLN 47 CO 0.00 0.00 0.46 0.94 -1.50 0.00 0.00 178.83 178.73 1xw2 n GLN 48 N -2.46 1.29 0.00 1.46 7.27 -1.14 -4.48 117.38 119.32 1xw2 n GLN 48 Ca 0.02 0.46 0.00 0.00 0.07 0.00 0.00 57.00 57.55 1xw2 n GLN 48 Cb 0.50 -2.09 0.00 0.00 2.41 0.00 0.00 30.24 31.06 1xw2 n GLN 48 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1xw2 n LEU 49 N 2.50 0.00 -4.50 1.69 4.77 -0.05 -4.87 117.00 116.54 1xw2 n LEU 49 Ca 0.17 -0.24 -0.42 0.00 -0.03 0.00 0.00 56.01 55.50 1xw2 n LEU 49 Cb 0.22 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 1xw2 n LEU 49 CO 0.62 0.00 -0.03 -0.47 -1.33 0.00 0.00 177.39 176.18 1xw2 s TYR 50 N -1.17 3.22 -0.02 -1.77 6.14 -1.01 -0.76 117.35 121.98 1xw2 s TYR 50 Ca 0.00 -0.31 0.06 0.00 0.64 0.00 0.00 57.07 57.45 1xw2 s TYR 50 Cb 0.00 -2.63 -0.01 0.00 0.42 0.00 0.00 41.96 39.73 1xw2 s TYR 50 CO 0.00 -0.51 -0.19 0.71 0.64 0.00 0.00 175.55 176.20 1xw2 s TYR 51 N 1.86 1.68 0.41 4.97 1.51 -0.11 -4.73 117.35 122.93 1xw2 s TYR 51 Ca 0.08 -0.32 -0.24 0.00 -1.01 0.00 0.00 57.07 55.58 1xw2 s TYR 51 Cb -0.18 -1.08 -0.09 0.00 -0.11 0.00 0.00 41.96 40.51 1xw2 s TYR 51 CO 0.11 -0.04 1.08 -1.25 -1.11 0.00 0.00 175.55 174.34 1xw2 s PRO 52 N -0.42 4.08 -0.17 -1.71 0.04 -1.26 -0.71 135.00 134.85 1xw2 s PRO 52 Ca 0.07 1.57 -0.01 0.00 0.04 0.00 0.00 61.00 62.67 1xw2 s PRO 52 Cb -0.07 -2.52 -0.01 0.00 0.04 0.00 0.00 34.50 31.94 1xw2 s PRO 52 CO -0.01 -0.23 -0.11 -0.47 0.04 0.00 0.00 177.00 176.23 1xw2 s TYR 53 N -1.63 2.86 0.18 0.56 5.04 0.13 -4.87 117.35 119.62 1xw2 s TYR 53 Ca 0.59 -0.93 0.11 0.00 -2.44 0.00 0.00 57.07 54.39 1xw2 s TYR 53 Cb -0.24 -1.96 -0.04 0.00 0.35 0.00 0.00 41.96 40.07 1xw2 s TYR 53 CO 0.29 -0.45 -0.23 0.95 -1.34 0.00 0.00 175.55 174.78 1xw2 s THR 54 N 0.96 2.21 -0.14 4.34 -4.23 -1.26 -1.44 115.64 116.08 1xw2 s THR 54 Ca -0.02 -1.99 -0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1xw2 s THR 54 Cb -0.15 -2.04 0.03 0.00 1.34 0.00 0.00 72.50 71.68 1xw2 s THR 54 CO -0.01 -0.16 -0.09 -1.61 -0.54 0.00 0.00 174.62 172.22 1xw2 s GLU 55 N -2.66 1.71 -1.58 3.99 2.02 -0.10 -4.79 118.70 117.28 1xw2 s GLU 55 Ca 0.19 -0.40 -0.12 0.00 0.02 0.00 0.00 54.97 54.65 1xw2 s GLU 55 Cb -0.08 -1.83 0.10 0.00 0.10 0.00 0.00 34.13 32.43 1xw2 s GLU 55 CO 0.09 -0.30 0.75 0.09 0.02 0.00 0.00 175.26 175.91 1xw2 n ASN 56 N 4.88 -2.91 0.00 -0.19 3.02 -1.26 -1.18 115.26 117.62 1xw2 n ASN 56 Ca -0.13 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 1xw2 n ASN 56 Cb 0.49 -3.15 0.00 0.00 -0.61 0.00 0.00 39.78 36.51 1xw2 n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xw2 n GLY 57 N -1.62 1.54 3.65 7.41 0.00 -1.26 -5.01 105.19 109.90 1xw2 n GLY 57 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1xw2 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xw2 s VAL 58 N -3.50 5.24 0.28 1.61 1.01 -0.33 -5.05 120.40 119.65 1xw2 s VAL 58 Ca 0.00 0.52 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 1xw2 s VAL 58 Cb 0.00 -3.66 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 1xw2 s VAL 58 CO 0.00 0.25 1.44 -0.47 0.00 0.00 0.00 175.10 176.32 1xw2 s TYR 59 N 1.46 2.96 0.05 5.22 5.04 -1.26 -0.92 117.35 129.89 1xw2 s TYR 59 Ca 0.15 1.07 -0.02 0.00 -2.44 0.00 0.00 57.07 55.83 1xw2 s TYR 59 Cb -0.15 -3.84 -0.01 0.00 0.35 0.00 0.00 41.96 38.32 1xw2 s TYR 59 CO 0.08 -2.67 -0.03 1.63 -1.34 0.00 0.00 175.55 173.21 1xw2 n LYS 60 N 1.94 0.05 -1.70 4.97 4.76 -0.52 -4.91 118.16 122.76 1xw2 n LYS 60 Ca 0.05 0.02 -0.01 0.00 -2.87 0.00 0.00 58.31 55.50 1xw2 n LYS 60 Cb 0.40 -0.47 0.00 0.00 -1.84 0.00 0.00 35.03 33.12 1xw2 n LYS 60 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xw2 n ALA 61 N -3.32 -0.42 -2.46 7.82 0.00 -1.14 -4.91 120.51 116.09 1xw2 n ALA 61 Ca -0.01 -0.21 -0.21 0.00 0.00 0.00 0.00 53.44 53.01 1xw2 n ALA 61 Cb 0.05 0.15 -0.11 0.00 0.00 0.00 0.00 19.45 19.54 1xw2 n ALA 61 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1xw2 s HIS 62 N -6.53 1.69 0.06 0.00 3.76 -0.55 0.18 115.29 113.91 1xw2 s HIS 62 Ca 0.04 -0.50 -0.00 0.00 -0.15 0.00 0.00 55.06 54.45 1xw2 s HIS 62 Cb -0.01 -0.85 -0.04 0.00 1.11 0.00 0.00 32.58 32.79 1xw2 s HIS 62 CO 0.02 0.27 -0.04 1.52 -0.85 0.00 0.00 174.74 175.66 1xw2 s TYR 63 N -2.10 0.62 -0.26 1.40 1.13 0.11 -4.06 117.35 114.20 1xw2 s TYR 63 Ca 0.14 -0.98 -0.21 0.00 -1.41 0.00 0.00 57.07 54.61 1xw2 s TYR 63 Cb -0.05 -0.42 -0.02 0.00 -1.10 0.00 0.00 41.96 40.37 1xw2 s TYR 63 CO 0.05 -0.29 0.67 0.42 -2.51 0.00 0.00 175.55 173.89 1xw2 s ILE 64 N -3.62 4.95 -0.27 -3.49 -1.09 -1.26 -0.93 121.20 115.50 1xw2 s ILE 64 Ca 0.07 1.19 -0.23 0.00 -2.23 0.00 0.00 60.65 59.45 1xw2 s ILE 64 Cb 0.06 -3.97 -0.01 0.00 -1.58 0.00 0.00 42.46 36.96 1xw2 s ILE 64 CO -0.08 -0.00 0.75 -0.75 -1.23 0.00 0.00 174.94 173.63 1xw2 s LYS 65 N 2.58 4.07 -1.23 2.79 2.20 0.06 -4.35 119.74 125.86 1xw2 s LYS 65 Ca 0.28 0.69 -0.16 0.00 -0.36 0.00 0.00 55.97 56.41 1xw2 s LYS 65 Cb -0.15 -3.68 0.11 0.00 -1.51 0.00 0.00 37.83 32.60 1xw2 s LYS 65 CO 0.08 -0.55 1.57 0.00 -0.36 0.00 0.00 175.35 176.10 1xw2 s ALA 66 N 2.79 3.58 0.20 3.13 0.00 0.32 -4.75 121.76 127.03 1xw2 s ALA 66 Ca 0.31 -3.07 -0.32 0.00 0.00 0.00 0.00 51.96 48.88 1xw2 s ALA 66 Cb -0.15 -4.40 -0.13 0.00 0.00 0.00 0.00 23.12 18.44 1xw2 s ALA 66 CO 0.10 -3.08 1.63 -0.89 0.00 0.00 0.00 175.76 173.52 1xw2 n ILE 67 N 5.63 0.18 -3.39 0.00 5.41 -1.26 -1.94 119.36 123.99 1xw2 n ILE 67 Ca 0.42 -0.05 -0.16 0.00 1.00 0.00 0.00 62.75 63.96 1xw2 n ILE 67 Cb 0.45 -1.78 -0.09 0.00 -0.71 0.00 0.00 39.64 37.50 1xw2 n ILE 67 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1xw2 s ASN 68 N 0.94 1.52 0.52 4.38 3.84 -1.26 -4.70 114.94 120.18 1xw2 s ASN 68 Ca 0.75 -0.80 0.31 0.00 0.21 0.00 0.00 52.86 53.33 1xw2 s ASN 68 Cb -0.58 0.56 1.18 0.00 -0.55 0.00 0.00 41.25 41.87 1xw2 s ASN 68 CO 0.37 -0.38 1.92 1.55 -2.79 0.00 0.00 177.10 177.77 1xw2 h PRO 69 N 8.15 0.00 0.09 0.43 0.13 -1.89 -1.27 132.00 137.65 1xw2 h PRO 69 Ca -0.11 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.71 1xw2 h PRO 69 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1xw2 h PRO 69 CO 0.32 0.03 -1.63 -0.44 -0.23 0.00 0.00 178.00 176.04 1xw2 h ASP 70 N 0.00 0.31 -0.01 1.44 3.32 -1.97 -3.41 116.42 116.10 1xw2 h ASP 70 Ca -0.00 -0.81 0.00 0.00 0.02 0.00 0.00 57.03 56.24 1xw2 h ASP 70 Cb 0.60 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1xw2 h ASP 70 CO 0.00 1.70 -0.02 -0.62 -1.72 0.00 0.00 179.24 178.58 1xw2 n GLU 71 N -3.86 0.22 0.00 3.56 1.02 -1.24 -5.10 120.64 115.24 1xw2 n GLU 71 Ca -0.30 -0.84 0.00 0.00 -0.02 0.00 0.00 57.16 56.00 1xw2 n GLU 71 Cb 0.91 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 31.23 1xw2 n GLU 71 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xw2 n GLY 72 N 0.42 0.65 3.72 0.62 0.00 -0.48 -4.98 105.19 105.13 1xw2 n GLY 72 Ca 0.04 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 1xw2 n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xw2 n ASP 73 N -0.31 3.14 -1.54 1.61 8.00 -1.20 -4.44 116.55 121.81 1xw2 n ASP 73 Ca 0.00 1.20 -0.03 0.00 0.71 0.00 0.00 54.79 56.67 1xw2 n ASP 73 Cb 0.00 -1.52 -0.01 0.00 -0.02 0.00 0.00 41.12 39.56 1xw2 n ASP 73 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1xw2 n ASP 74 N 0.97 0.34 -3.87 -2.24 5.68 -0.82 -4.73 116.55 111.88 1xw2 n ASP 74 Ca 0.05 -1.33 -0.20 0.00 -0.50 0.00 0.00 54.79 52.80 1xw2 n ASP 74 Cb 0.36 0.21 -0.17 0.00 -1.14 0.00 0.00 41.12 40.39 1xw2 n ASP 74 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1xw2 s ILE 75 N -2.03 0.51 0.10 2.12 1.01 0.32 -0.52 121.20 122.71 1xw2 s ILE 75 Ca 0.05 -0.08 0.09 0.00 0.00 0.00 0.00 60.65 60.71 1xw2 s ILE 75 Cb 0.00 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 1xw2 s ILE 75 CO 0.03 0.23 -0.24 -0.13 0.00 0.00 0.00 174.94 174.84 1xw2 s ARG 76 N 1.10 1.32 0.26 2.79 0.52 -1.26 -0.88 118.95 122.79 1xw2 s ARG 76 Ca -0.08 -1.20 0.03 0.00 -0.52 0.00 0.00 55.73 53.95 1xw2 s ARG 76 Cb -0.14 -1.65 0.33 0.00 0.52 0.00 0.00 34.95 34.01 1xw2 s ARG 76 CO -0.01 0.39 1.64 1.79 0.02 0.00 0.00 175.30 179.13 1xw2 h THR 77 N 4.05 1.31 0.33 0.02 1.35 -1.77 -2.17 112.91 116.03 1xw2 h THR 77 Ca -0.48 -1.59 -0.00 0.00 -0.55 0.00 0.00 66.41 63.79 1xw2 h THR 77 Cb 1.17 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 69.24 1xw2 h THR 77 CO 0.40 0.49 -0.26 1.56 -0.25 0.00 0.00 175.52 177.46 1xw2 h GLN 78 N 0.31 -0.57 -1.00 4.72 4.20 -1.87 -0.04 115.11 120.85 1xw2 h GLN 78 Ca 0.02 0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.79 1xw2 h GLN 78 Cb 0.89 0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.75 1xw2 h GLN 78 CO 0.07 -0.38 0.66 0.78 -0.67 0.00 0.00 178.83 179.29 1xw2 h GLY 79 N -0.59 1.41 0.88 3.46 0.00 -1.92 0.03 103.07 106.34 1xw2 h GLY 79 Ca -0.02 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1xw2 h GLY 79 CO -0.01 0.50 0.05 -1.61 0.00 0.00 0.00 176.54 175.46 1xw2 h GLN 80 N 1.34 0.17 -0.43 4.80 5.75 -1.23 -1.12 115.11 124.39 1xw2 h GLN 80 Ca 0.37 -0.03 -0.13 0.00 -0.15 0.00 0.00 58.65 58.72 1xw2 h GLN 80 Cb -0.13 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.38 1xw2 h GLN 80 CO -0.09 0.26 -0.23 0.66 -2.65 0.00 0.00 178.83 176.79 1xw2 h SER 81 N 0.04 0.91 -0.65 -0.69 4.64 -0.68 -1.75 113.55 115.38 1xw2 h SER 81 Ca 0.04 -0.34 -0.05 0.00 -0.47 0.00 0.00 61.79 60.96 1xw2 h SER 81 Cb 0.16 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 61.96 1xw2 h SER 81 CO -0.00 1.10 0.22 -0.50 -0.87 0.00 0.00 176.83 176.78 1xw2 h TRP 82 N 0.77 1.05 -0.53 4.77 6.55 -0.97 -1.40 115.95 126.20 1xw2 h TRP 82 Ca 0.10 -0.09 -0.02 0.00 0.95 0.00 0.00 58.89 59.83 1xw2 h TRP 82 Cb 0.78 -0.31 -0.02 0.00 -0.86 0.00 0.00 29.16 28.75 1xw2 h TRP 82 CO 0.05 0.83 0.24 0.78 -1.05 0.00 0.00 178.44 179.29 1xw2 h GLY 83 N 1.07 0.82 1.09 1.49 0.00 -0.87 -0.63 103.07 106.05 1xw2 h GLY 83 Ca 0.22 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1xw2 h GLY 83 CO -0.01 0.39 0.33 -0.33 0.00 0.00 0.00 176.54 176.92 1xw2 h MET 84 N 0.71 1.16 -0.34 4.80 2.86 -1.16 -1.64 114.93 121.30 1xw2 h MET 84 Ca 0.18 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1xw2 h MET 84 Cb 0.14 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1xw2 h MET 84 CO -0.02 0.92 0.19 1.15 1.06 0.00 0.00 176.91 180.21 1xw2 h THR 85 N 1.13 1.14 -0.34 2.22 2.02 -0.82 -1.51 112.91 116.75 1xw2 h THR 85 Ca 0.26 -0.36 0.01 0.00 0.77 0.00 0.00 66.41 67.09 1xw2 h THR 85 Cb 0.19 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1xw2 h THR 85 CO -0.02 0.14 0.22 0.00 0.37 0.00 0.00 175.52 176.22 1xw2 h ALA 86 N 1.05 0.43 -0.25 6.16 0.00 -0.93 -2.53 119.26 123.20 1xw2 h ALA 86 Ca 0.12 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1xw2 h ALA 86 Cb 0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1xw2 h ALA 86 CO -0.02 -0.12 0.11 0.00 0.00 0.00 0.00 179.25 179.21 1xw2 h ALA 87 N 1.14 0.29 -0.36 0.00 0.00 -1.08 -2.76 119.26 116.48 1xw2 h ALA 87 Ca 0.13 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1xw2 h ALA 87 Cb -0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1xw2 h ALA 87 CO -0.04 -0.30 -0.01 -0.24 0.00 0.00 0.00 179.25 178.66 1xw2 h VAL 88 N 0.23 1.21 0.00 0.00 3.04 -1.16 0.27 116.25 119.84 1xw2 h VAL 88 Ca 0.10 -0.84 -0.05 0.00 -1.01 0.00 0.00 66.70 64.91 1xw2 h VAL 88 Cb 0.05 0.94 -0.01 0.00 -2.01 0.00 0.00 31.29 30.26 1xw2 h VAL 88 CO -0.09 0.29 -0.22 0.24 -1.01 0.00 0.00 177.57 176.79 1xw2 h MET 89 N 0.54 0.00 -0.55 4.17 2.86 -1.18 -2.74 114.93 118.04 1xw2 h MET 89 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1xw2 h MET 89 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1xw2 h MET 89 CO 0.01 0.22 0.00 1.28 1.06 0.00 0.00 176.91 179.48 1xw2 n LEU 90 N -4.28 3.69 -2.98 1.22 4.77 -0.91 -4.95 117.00 113.56 1xw2 n LEU 90 Ca -0.02 -2.13 -0.19 0.00 -0.03 0.00 0.00 56.01 53.63 1xw2 n LEU 90 Cb 0.27 -0.41 0.06 0.00 -2.33 0.00 0.00 43.42 41.02 1xw2 n LEU 90 CO 0.37 0.85 0.20 -3.20 -1.33 0.00 0.00 177.39 174.27 1xw2 n ASN 91 N 1.01 -5.53 -4.25 -1.43 5.15 -0.77 -4.96 115.26 104.48 1xw2 n ASN 91 Ca 0.20 -0.43 -0.42 0.00 -0.60 0.00 0.00 54.58 53.32 1xw2 n ASN 91 Cb 0.61 -4.14 -0.03 0.00 -0.53 0.00 0.00 39.78 35.69 1xw2 n ASN 91 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1xw2 s LYS 92 N -6.06 3.62 0.05 1.20 -0.14 0.01 -4.93 119.74 113.50 1xw2 s LYS 92 Ca 0.47 -2.97 -0.18 0.00 -1.36 0.00 0.00 55.97 51.94 1xw2 s LYS 92 Cb -0.21 -4.27 -0.16 0.00 -1.68 0.00 0.00 37.83 31.51 1xw2 s LYS 92 CO 0.58 -1.25 1.27 0.37 -0.76 0.00 0.00 175.35 175.57 1xw2 h GLN 93 N 6.81 0.54 -0.46 1.68 4.15 -1.93 -2.03 115.11 123.86 1xw2 h GLN 93 Ca 0.13 -0.39 -0.01 0.00 0.77 0.00 0.00 58.65 59.16 1xw2 h GLN 93 Cb 0.91 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.64 1xw2 h GLN 93 CO 0.87 1.01 0.27 0.93 -1.93 0.00 0.00 178.83 179.98 1xw2 h GLU 94 N 0.16 0.64 -0.37 1.69 4.39 -1.99 0.10 114.58 119.20 1xw2 h GLU 94 Ca -0.01 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.65 1xw2 h GLU 94 Cb 1.04 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.53 1xw2 h GLU 94 CO 0.09 0.48 0.19 0.93 -1.16 0.00 0.00 179.01 179.54 1xw2 h GLU 95 N 0.61 0.38 0.14 2.33 3.07 -1.98 -0.05 114.58 119.08 1xw2 h GLU 95 Ca 0.16 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.01 1xw2 h GLU 95 Cb 0.02 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 27.82 1xw2 h GLU 95 CO -0.03 0.25 -0.21 0.35 -1.40 0.00 0.00 179.01 177.97 1xw2 h PHE 96 N 0.39 -0.56 -0.87 4.33 3.04 -1.02 -2.31 116.94 119.93 1xw2 h PHE 96 Ca 0.16 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.11 1xw2 h PHE 96 Cb 0.06 0.23 -0.04 0.00 2.56 0.00 0.00 35.95 38.76 1xw2 h PHE 96 CO -0.10 -0.31 0.52 -0.44 -2.02 0.00 0.00 178.31 175.96 1xw2 h ASP 97 N -0.42 1.05 -0.60 0.41 3.32 -0.51 0.74 116.42 120.41 1xw2 h ASP 97 Ca 0.02 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 1xw2 h ASP 97 Cb 0.42 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1xw2 h ASP 97 CO -0.10 0.81 0.13 0.78 -1.72 0.00 0.00 179.24 179.14 1xw2 h ASN 98 N 1.20 0.94 -0.16 6.45 2.35 -0.92 0.12 115.58 125.57 1xw2 h ASN 98 Ca 0.31 -0.20 -0.10 0.00 -0.55 0.00 0.00 56.30 55.77 1xw2 h ASN 98 Cb -0.04 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.08 1xw2 h ASN 98 CO -0.06 0.92 -0.28 -0.07 -1.65 0.00 0.00 177.43 176.30 1xw2 h LEU 99 N 0.95 0.51 -0.66 1.61 3.38 -0.95 -1.41 115.31 118.73 1xw2 h LEU 99 Ca 0.20 -0.54 -0.07 0.00 0.09 0.00 0.00 57.88 57.55 1xw2 h LEU 99 Cb 0.37 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1xw2 h LEU 99 CO 0.00 0.96 0.13 -0.25 0.09 0.00 0.00 178.44 179.37 1xw2 h TRP 100 N 0.09 1.15 -0.71 1.13 -0.00 -0.69 -1.67 115.95 115.25 1xw2 h TRP 100 Ca 0.01 -0.15 0.08 0.00 -0.00 0.00 0.00 58.89 58.83 1xw2 h TRP 100 Cb 0.86 -0.32 -0.07 0.00 -0.00 0.00 0.00 29.16 29.64 1xw2 h TRP 100 CO 0.10 0.95 0.38 -0.09 -0.00 0.00 0.00 178.44 179.77 1xw2 h ARG 101 N 1.01 0.64 -0.16 2.65 2.43 -0.82 -0.81 114.38 119.32 1xw2 h ARG 101 Ca 0.20 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1xw2 h ARG 101 Cb 0.41 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1xw2 h ARG 101 CO 0.01 0.42 0.07 0.35 -1.51 0.00 0.00 179.97 179.31 1xw2 h PHE 102 N 0.66 0.23 0.04 2.20 3.04 -1.29 -1.85 116.94 119.97 1xw2 h PHE 102 Ca 0.34 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.28 1xw2 h PHE 102 Cb 0.30 -0.07 -0.00 0.00 2.56 0.00 0.00 35.95 38.74 1xw2 h PHE 102 CO -0.09 0.28 -0.04 0.00 -2.02 0.00 0.00 178.31 176.44 1xw2 h ALA 103 N 0.93 -0.07 -0.73 2.41 0.00 -0.85 0.65 119.26 121.60 1xw2 h ALA 103 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1xw2 h ALA 103 Cb 0.14 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1xw2 h ALA 103 CO -0.01 -0.55 0.33 -0.22 0.00 0.00 0.00 179.25 178.81 1xw2 h LYS 104 N -0.09 1.05 0.13 0.00 3.64 -1.15 -0.83 116.57 119.31 1xw2 h LYS 104 Ca 0.00 -0.16 -0.26 0.00 -1.27 0.00 0.00 60.65 58.97 1xw2 h LYS 104 Cb 0.09 -0.19 0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1xw2 h LYS 104 CO -0.01 0.82 -1.08 0.00 -2.27 0.00 0.00 179.45 176.91 1xw2 h ALA 105 N 1.32 -0.04 0.00 5.00 0.00 -1.16 -3.38 119.26 121.00 1xw2 h ALA 105 Ca 0.25 -0.73 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1xw2 h ALA 105 Cb 0.13 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1xw2 h ALA 105 CO -0.03 0.56 -1.25 0.66 0.00 0.00 0.00 179.25 179.18 1xw2 n TYR 106 N -3.93 0.00 0.03 0.00 4.01 0.21 -4.70 117.16 112.77 1xw2 n TYR 106 Ca -0.14 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.45 1xw2 n TYR 106 Cb 0.92 -0.18 -0.14 0.00 -0.31 0.00 0.00 39.34 39.62 1xw2 n TYR 106 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1xw2 h GLN 107 N 0.00 0.18 -6.44 -0.72 4.20 -1.22 -3.46 115.11 107.64 1xw2 h GLN 107 Ca -0.10 -0.31 -0.53 0.00 0.06 0.00 0.00 58.65 57.77 1xw2 h GLN 107 Cb 1.23 0.11 0.02 0.00 0.30 0.00 0.00 27.48 29.14 1xw2 h GLN 107 CO 0.01 0.97 1.09 0.21 -0.67 0.00 0.00 178.83 180.44 1xw2 s LYS 108 N -2.60 4.16 0.27 1.46 2.20 -0.69 -0.31 119.74 124.23 1xw2 s LYS 108 Ca -0.11 2.47 -0.29 0.00 -0.36 0.00 0.00 55.97 57.67 1xw2 s LYS 108 Cb 0.07 -3.74 -0.09 0.00 -1.51 0.00 0.00 37.83 32.56 1xw2 s LYS 108 CO 0.82 -0.83 1.15 -0.80 -0.36 0.00 0.00 175.35 175.34 1xw2 s ASN 109 N 2.98 7.15 0.50 1.43 0.01 0.18 -4.90 114.94 122.29 1xw2 s ASN 109 Ca 0.79 2.33 -0.22 0.00 -0.71 0.00 0.00 52.86 55.05 1xw2 s ASN 109 Cb -0.42 -2.63 -0.08 0.00 0.41 0.00 0.00 41.25 38.54 1xw2 s ASN 109 CO 0.35 -0.25 1.12 -0.81 -1.51 0.00 0.00 177.10 176.00 1xw2 n PRO 110 N 1.37 1.43 0.27 -0.60 -0.04 -1.26 -2.12 135.00 134.04 1xw2 n PRO 110 Ca 0.00 0.52 0.18 0.00 -0.04 0.00 0.00 63.50 64.16 1xw2 n PRO 110 Cb 0.44 -2.26 0.85 0.00 -0.04 0.00 0.00 33.50 32.50 1xw2 n PRO 110 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xw2 h ASP 111 N 1.35 0.00 -0.41 3.54 3.32 -1.92 -2.16 116.42 120.13 1xw2 h ASP 111 Ca -0.48 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.46 1xw2 h ASP 111 Cb 1.33 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.81 1xw2 h ASP 111 CO 0.56 0.00 0.06 -0.46 -1.72 0.00 0.00 179.24 177.68 1xw2 n ASN 112 N -2.89 3.65 -4.61 6.45 6.94 -1.26 -4.73 115.26 118.82 1xw2 n ASN 112 Ca -0.01 -3.31 -0.47 0.00 -0.02 0.00 0.00 54.58 50.77 1xw2 n ASN 112 Cb 0.18 -0.63 -0.03 0.00 -2.36 0.00 0.00 39.78 36.94 1xw2 n ASN 112 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 1xw2 n HIS 113 N -0.65 1.56 -0.02 -2.53 -0.00 -0.82 -4.85 115.22 107.91 1xw2 n HIS 113 Ca 0.30 0.61 0.20 0.00 0.46 0.00 0.00 57.72 59.29 1xw2 n HIS 113 Cb 1.07 -2.33 0.67 0.00 -0.12 0.00 0.00 29.99 29.28 1xw2 n HIS 113 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1xw2 h PRO 114 N 3.32 0.05 -5.57 1.57 0.13 -1.95 -3.36 132.00 126.19 1xw2 h PRO 114 Ca -0.43 -0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.05 1xw2 h PRO 114 Cb 1.32 -0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.30 1xw2 h PRO 114 CO 0.70 0.03 0.22 0.34 -0.23 0.00 0.00 178.00 179.06 1xw2 s ASP 115 N -6.19 6.36 0.52 1.44 -1.08 -1.26 -4.94 116.67 111.53 1xw2 s ASP 115 Ca -0.05 -0.24 0.20 0.00 -0.52 0.00 0.00 52.55 51.94 1xw2 s ASP 115 Cb 0.20 -2.35 1.33 0.00 -1.46 0.00 0.00 42.92 40.64 1xw2 s ASP 115 CO 0.74 -0.83 2.08 0.00 0.52 0.00 0.00 175.17 177.67 1xw2 h ALA 116 N 8.91 2.24 0.00 3.66 0.00 -1.99 -1.38 119.26 130.70 1xw2 h ALA 116 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1xw2 h ALA 116 Cb 1.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1xw2 h ALA 116 CO 0.92 -0.31 0.00 0.87 0.00 0.00 0.00 179.25 180.74 1xw2 h LYS 117 N 0.00 0.00 -0.00 0.00 1.57 -1.92 -2.87 116.57 113.35 1xw2 h LYS 117 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1xw2 h LYS 117 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1xw2 h LYS 117 CO -0.00 0.00 -0.95 1.63 -0.57 0.00 0.00 179.45 179.56 1xw2 n LYS 118 N -2.68 0.05 -1.75 3.15 5.02 -0.53 -4.86 118.16 116.56 1xw2 n LYS 118 Ca 0.02 -0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 1xw2 n LYS 118 Cb 0.29 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 1xw2 n LYS 118 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1xw2 s GLN 119 N -2.98 3.97 0.00 1.97 -0.21 -1.09 -2.10 119.66 119.23 1xw2 s GLN 119 Ca 0.09 2.38 0.00 0.00 0.02 0.00 0.00 55.36 57.85 1xw2 s GLN 119 Cb 0.16 -4.16 0.00 0.00 1.00 0.00 0.00 33.01 30.02 1xw2 s GLN 119 CO 0.85 -1.14 0.00 0.41 -2.12 0.00 0.00 175.29 173.29 1xw2 n GLY 120 N 4.67 2.12 3.89 3.09 0.00 -0.90 -4.91 105.19 113.16 1xw2 n GLY 120 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1xw2 n GLY 120 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xw2 s VAL 121 N -3.25 3.22 -0.26 1.61 -7.23 -0.89 -4.70 120.40 108.90 1xw2 s VAL 121 Ca 0.00 0.28 -0.07 0.00 -1.81 0.00 0.00 61.98 60.37 1xw2 s VAL 121 Cb 0.00 -3.37 -0.02 0.00 0.56 0.00 0.00 36.38 33.55 1xw2 s VAL 121 CO 0.00 -0.47 0.07 -0.31 -0.31 0.00 0.00 175.10 174.08 1xw2 s TYR 122 N -3.32 3.09 0.01 2.82 1.51 -1.26 -0.65 117.35 119.55 1xw2 s TYR 122 Ca 0.58 -0.57 -0.31 0.00 -1.01 0.00 0.00 57.07 55.76 1xw2 s TYR 122 Cb -0.11 -2.23 -0.10 0.00 -0.11 0.00 0.00 41.96 39.41 1xw2 s TYR 122 CO 0.50 -0.42 1.96 0.00 -1.11 0.00 0.00 175.55 176.48 1xw2 n ALA 123 N 4.91 1.42 0.19 3.71 0.00 0.57 -4.06 120.51 127.25 1xw2 n ALA 123 Ca -0.16 0.23 0.04 0.00 0.00 0.00 0.00 53.44 53.55 1xw2 n ALA 123 Cb 0.51 -2.64 0.39 0.00 0.00 0.00 0.00 19.45 17.71 1xw2 n ALA 123 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1xw2 h TRP 124 N 10.29 0.00 -3.27 0.00 5.08 -0.80 -3.41 115.95 123.84 1xw2 h TRP 124 Ca -0.50 0.00 -0.52 0.00 1.08 0.00 0.00 58.89 58.96 1xw2 h TRP 124 Cb 1.25 0.00 -0.38 0.00 -3.00 0.00 0.00 29.16 27.03 1xw2 h TRP 124 CO 0.94 0.36 -0.78 0.21 -1.28 0.00 0.00 178.44 177.88 1xw2 s LYS 125 N -3.99 1.16 0.23 0.12 2.20 -1.21 -2.98 119.74 115.27 1xw2 s LYS 125 Ca -0.02 -0.31 0.09 0.00 -0.36 0.00 0.00 55.97 55.37 1xw2 s LYS 125 Cb 0.13 -1.70 -0.04 0.00 -1.51 0.00 0.00 37.83 34.71 1xw2 s LYS 125 CO 0.70 -0.40 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.75 1xw2 s LEU 126 N 1.76 3.15 0.10 5.43 1.02 -0.06 -0.62 118.68 129.46 1xw2 s LEU 126 Ca 0.02 -0.59 -0.01 0.00 0.02 0.00 0.00 54.13 53.58 1xw2 s LEU 126 Cb -0.14 -1.74 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 1xw2 s LEU 126 CO -0.07 0.04 0.01 -0.54 0.02 0.00 0.00 176.35 175.81 1xw2 s LYS 127 N -3.33 0.81 -0.05 1.70 1.02 -0.44 -0.52 119.74 118.93 1xw2 s LYS 127 Ca 0.29 -1.36 -0.20 0.00 0.02 0.00 0.00 55.97 54.73 1xw2 s LYS 127 Cb -0.07 0.17 -0.05 0.00 -0.52 0.00 0.00 37.83 37.36 1xw2 s LYS 127 CO 0.18 -0.18 0.55 -0.51 -0.92 0.00 0.00 175.35 174.48 1xw2 s LEU 128 N -3.01 4.36 0.00 3.17 1.43 -1.26 -0.96 118.68 122.42 1xw2 s LEU 128 Ca 0.17 1.03 -0.15 0.00 -1.03 0.00 0.00 54.13 54.15 1xw2 s LEU 128 Cb 0.07 -2.84 0.22 0.00 0.03 0.00 0.00 46.19 43.67 1xw2 s LEU 128 CO -0.03 0.06 0.97 -0.46 0.23 0.00 0.00 176.35 177.12 1xw2 n ASN 129 N 3.12 -0.97 0.29 2.29 0.23 0.72 -4.81 115.26 116.13 1xw2 n ASN 129 Ca -0.07 -1.20 0.20 0.00 -0.53 0.00 0.00 54.58 52.98 1xw2 n ASN 129 Cb 0.51 -0.82 1.02 0.00 -2.08 0.00 0.00 39.78 38.42 1xw2 n ASN 129 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1xw2 h GLN 130 N 0.00 0.00 -0.02 -3.83 -0.00 -1.99 -0.41 115.11 108.86 1xw2 h GLN 130 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.31 1xw2 h GLN 130 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.47 1xw2 h GLN 130 CO 0.23 0.00 -0.09 0.09 -0.00 0.00 0.00 178.83 179.06 1xw2 n ASN 131 N -2.90 2.56 0.00 0.06 3.02 -1.26 -4.96 115.26 111.78 1xw2 n ASN 131 Ca -0.02 -1.81 0.00 0.00 -0.03 0.00 0.00 54.58 52.72 1xw2 n ASN 131 Cb 0.10 0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1xw2 n ASN 131 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xw2 n GLY 132 N 1.34 0.82 3.86 7.41 0.00 -0.16 -5.07 105.19 113.39 1xw2 n GLY 132 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1xw2 n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xw2 s PHE 133 N -2.11 3.51 0.36 1.61 0.08 -1.26 -4.70 117.98 115.47 1xw2 s PHE 133 Ca 0.00 0.40 -0.26 0.00 0.12 0.00 0.00 56.93 57.19 1xw2 s PHE 133 Cb 0.00 -1.86 -0.09 0.00 -0.57 0.00 0.00 43.02 40.50 1xw2 s PHE 133 CO 0.00 0.66 1.11 0.54 -0.10 0.00 0.00 175.22 177.43 1xw2 s VAL 134 N -1.14 3.43 0.10 -0.44 0.11 -1.26 -0.20 120.40 121.00 1xw2 s VAL 134 Ca 0.20 1.24 -0.16 0.00 -2.93 0.00 0.00 61.98 60.33 1xw2 s VAL 134 Cb -0.12 -3.72 0.03 0.00 -1.53 0.00 0.00 36.38 31.05 1xw2 s VAL 134 CO 0.10 0.15 0.40 -0.72 -3.33 0.00 0.00 175.10 171.70 1xw2 s TYR 135 N -1.41 -0.21 -0.19 1.54 1.13 -0.13 -4.90 117.35 113.18 1xw2 s TYR 135 Ca 0.53 -0.03 -0.23 0.00 -1.41 0.00 0.00 57.07 55.93 1xw2 s TYR 135 Cb -0.28 0.23 -0.02 0.00 -1.10 0.00 0.00 41.96 40.79 1xw2 s TYR 135 CO 0.36 -0.66 0.72 0.15 -2.51 0.00 0.00 175.55 173.61 1xw2 s LYS 136 N -3.41 4.23 -0.09 -3.49 1.02 -1.26 -1.33 119.74 115.42 1xw2 s LYS 136 Ca 0.01 0.78 -0.17 0.00 0.02 0.00 0.00 55.97 56.61 1xw2 s LYS 136 Cb 0.01 -3.58 -0.28 0.00 -0.52 0.00 0.00 37.83 33.45 1xw2 s LYS 136 CO -0.09 -0.30 0.64 0.28 -0.92 0.00 0.00 175.35 174.96 1xw2 h VAL 137 N 5.21 1.13 -3.27 3.17 2.07 -1.19 -3.46 116.25 119.91 1xw2 h VAL 137 Ca -0.30 -2.44 -0.40 0.00 0.82 0.00 0.00 66.70 64.38 1xw2 h VAL 137 Cb 1.13 2.82 -0.39 0.00 -1.52 0.00 0.00 31.29 33.33 1xw2 h VAL 137 CO 0.80 0.71 -0.75 -0.62 0.02 0.00 0.00 177.57 177.74 1xw2 s ASP 138 N -7.05 1.44 0.25 0.57 -1.08 -0.90 -5.02 116.67 104.87 1xw2 s ASP 138 Ca -0.18 -0.06 0.26 0.00 -0.52 0.00 0.00 52.55 52.04 1xw2 s ASP 138 Cb 0.04 -0.24 0.80 0.00 -1.46 0.00 0.00 42.92 42.06 1xw2 s ASP 138 CO 0.79 -0.25 1.76 -0.33 0.52 0.00 0.00 175.17 177.66 1xw2 h GLU 139 N 8.40 0.00 -7.04 4.34 5.08 -1.89 -3.04 114.58 120.44 1xw2 h GLU 139 Ca -0.14 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.68 1xw2 h GLU 139 Cb 1.12 0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.49 1xw2 h GLU 139 CO 0.20 0.00 0.56 0.20 -1.00 0.00 0.00 179.01 178.96 1xw2 s GLY 140 N -3.64 2.84 0.54 -3.84 0.00 -1.26 -4.08 107.32 97.87 1xw2 s GLY 140 Ca 0.09 1.18 -0.07 0.00 0.00 0.00 0.00 44.72 45.92 1xw2 s GLY 140 CO 0.57 1.66 0.88 2.56 0.00 0.00 0.00 173.10 178.78 1xw2 s PRO 141 N -2.89 3.45 -0.58 2.90 0.04 -1.26 -0.71 135.00 135.95 1xw2 s PRO 141 Ca 0.70 0.33 -0.01 0.00 0.04 0.00 0.00 61.00 62.05 1xw2 s PRO 141 Cb -0.36 -2.27 0.15 0.00 0.04 0.00 0.00 34.50 32.06 1xw2 s PRO 141 CO 0.42 -0.40 0.37 0.00 0.04 0.00 0.00 177.00 177.43 1xw2 s ALA 142 N -2.92 3.47 0.60 8.56 0.00 -1.26 -4.81 121.76 125.41 1xw2 s ALA 142 Ca 0.51 -3.17 0.28 0.00 0.00 0.00 0.00 51.96 49.58 1xw2 s ALA 142 Cb -0.11 -2.52 1.41 0.00 0.00 0.00 0.00 23.12 21.90 1xw2 s ALA 142 CO 0.48 -2.04 1.82 -1.35 0.00 0.00 0.00 175.76 174.66 1xw2 h PRO 143 N 7.05 0.00 0.00 0.00 0.11 -1.83 0.25 132.00 137.57 1xw2 h PRO 143 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1xw2 h PRO 143 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1xw2 h PRO 143 CO 0.70 0.00 0.00 0.38 -0.21 0.00 0.00 178.00 178.87 1xw2 h ASP 144 N 0.00 0.00 0.42 -2.05 2.03 -1.90 -2.36 116.42 112.56 1xw2 h ASP 144 Ca 0.21 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.49 1xw2 h ASP 144 Cb 1.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.81 1xw2 h ASP 144 CO -0.00 0.00 -0.20 1.23 -1.03 0.00 0.00 179.24 179.24 1xw2 h GLY 145 N 2.11 -0.59 0.83 7.15 0.00 -0.79 -1.35 103.07 110.43 1xw2 h GLY 145 Ca 0.00 0.22 0.05 0.00 0.00 0.00 0.00 47.33 47.60 1xw2 h GLY 145 CO 0.00 -0.21 0.64 0.83 0.00 0.00 0.00 176.54 177.80 1xw2 h GLU 146 N -0.65 1.16 -0.16 4.80 3.07 -1.63 0.89 114.58 122.06 1xw2 h GLU 146 Ca -0.06 -0.07 0.02 0.00 -0.50 0.00 0.00 59.36 58.75 1xw2 h GLU 146 Cb 0.48 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 1xw2 h GLU 146 CO 0.09 0.77 0.04 0.93 -1.40 0.00 0.00 179.01 179.44 1xw2 h GLU 147 N 1.20 0.10 -0.20 2.33 5.08 -1.31 -0.50 114.58 121.29 1xw2 h GLU 147 Ca 0.41 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.64 1xw2 h GLU 147 Cb 0.09 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1xw2 h GLU 147 CO -0.15 0.07 -0.40 1.88 -1.00 0.00 0.00 179.01 179.41 1xw2 h TYR 148 N 0.10 0.53 -0.00 4.33 0.05 -0.74 -1.77 116.97 119.48 1xw2 h TYR 148 Ca 0.07 -0.15 0.02 0.00 0.05 0.00 0.00 58.73 58.72 1xw2 h TYR 148 Cb 0.06 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 1xw2 h TYR 148 CO -0.13 0.78 -0.11 0.74 -1.05 0.00 0.00 178.16 178.40 1xw2 h PHE 149 N 0.37 -0.27 -0.39 4.88 0.04 -0.49 0.17 116.94 121.24 1xw2 h PHE 149 Ca 0.03 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.84 1xw2 h PHE 149 Cb 0.86 0.12 -0.03 0.00 2.20 0.00 0.00 35.95 39.10 1xw2 h PHE 149 CO 0.03 -0.16 0.22 0.00 -0.60 0.00 0.00 178.31 177.79 1xw2 h ALA 150 N 0.79 0.49 0.11 2.45 0.00 -0.97 -0.46 119.26 121.67 1xw2 h ALA 150 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1xw2 h ALA 150 Cb 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1xw2 h ALA 150 CO -0.11 -0.13 -0.15 0.35 0.00 0.00 0.00 179.25 179.20 1xw2 h PHE 151 N 0.44 -0.40 -0.70 0.00 3.57 -1.11 -1.61 116.94 117.14 1xw2 h PHE 151 Ca 0.16 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.67 1xw2 h PHE 151 Cb 0.04 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 1xw2 h PHE 151 CO -0.08 -0.23 0.46 0.00 -2.23 0.00 0.00 178.31 176.22 1xw2 h ALA 152 N 0.53 0.88 -0.47 2.41 0.00 -0.43 -2.29 119.26 119.89 1xw2 h ALA 152 Ca 0.02 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1xw2 h ALA 152 Cb 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1xw2 h ALA 152 CO -0.07 0.31 -0.15 -0.07 0.00 0.00 0.00 179.25 179.28 1xw2 h LEU 153 N 0.95 0.91 -0.74 0.00 3.38 -0.97 0.70 115.31 119.53 1xw2 h LEU 153 Ca 0.26 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1xw2 h LEU 153 Cb -0.10 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 1xw2 h LEU 153 CO -0.05 1.05 0.35 -0.07 0.09 0.00 0.00 178.44 179.80 1xw2 h LEU 154 N 0.80 0.98 -0.62 1.67 3.38 -1.14 -0.87 115.31 119.50 1xw2 h LEU 154 Ca 0.12 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1xw2 h LEU 154 Cb 0.68 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1xw2 h LEU 154 CO 0.05 0.85 -0.24 0.78 0.09 0.00 0.00 178.44 179.96 1xw2 h ASN 155 N 1.04 0.85 -0.55 -0.43 2.35 -1.06 -2.40 115.58 115.38 1xw2 h ASN 155 Ca 0.25 -0.32 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 1xw2 h ASN 155 Cb 0.13 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 1xw2 h ASN 155 CO -0.03 1.05 0.28 0.00 -1.65 0.00 0.00 177.43 177.08 1xw2 h ALA 156 N 1.01 0.70 -0.40 -0.83 0.00 -0.57 -1.22 119.26 117.96 1xw2 h ALA 156 Ca 0.09 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1xw2 h ALA 156 Cb 0.77 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1xw2 h ALA 156 CO 0.06 0.25 0.09 1.03 0.00 0.00 0.00 179.25 180.69 1xw2 h SER 157 N 0.74 0.04 -0.43 0.00 0.87 -1.07 0.29 113.55 113.99 1xw2 h SER 157 Ca 0.19 0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.74 1xw2 h SER 157 Cb 0.09 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1xw2 h SER 157 CO -0.03 0.06 0.00 0.00 -0.53 0.00 0.00 176.83 176.34 1xw2 h ALA 158 N 1.29 1.08 0.13 6.23 0.00 -0.96 -0.46 119.26 126.58 1xw2 h ALA 158 Ca 0.19 -0.27 -0.32 0.00 0.00 0.00 0.00 54.91 54.52 1xw2 h ALA 158 Cb 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1xw2 h ALA 158 CO -0.24 0.58 -1.59 0.00 0.00 0.00 0.00 179.25 178.01 1xw2 h ARG 159 N 0.77 0.28 0.00 0.00 3.08 -1.04 -3.42 114.38 114.05 1xw2 h ARG 159 Ca 0.15 -0.47 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1xw2 h ARG 159 Cb 0.46 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1xw2 h ARG 159 CO 0.02 1.15 -0.41 0.91 -1.07 0.00 0.00 179.97 180.57 1xw2 n TRP 160 N -3.47 0.00 -0.25 3.04 8.01 0.07 -5.10 117.44 119.74 1xw2 n TRP 160 Ca -0.18 0.00 0.03 0.00 -1.31 0.00 0.00 57.50 56.04 1xw2 n TRP 160 Cb 1.05 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.31 30.32 1xw2 n TRP 160 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1xw2 n GLY 161 N 1.43 -1.43 0.51 6.99 0.00 -0.18 -4.80 105.19 107.71 1xw2 n GLY 161 Ca 0.00 -1.47 0.06 0.00 0.00 0.00 0.00 46.02 44.61 1xw2 n GLY 161 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xw2 n ASN 162 N -1.66 1.57 -0.75 1.61 3.02 -1.26 -4.67 115.26 113.12 1xw2 n ASN 162 Ca 0.00 -3.03 0.09 0.00 -0.03 0.00 0.00 54.58 51.61 1xw2 n ASN 162 Cb 0.11 -0.41 0.10 0.00 -0.61 0.00 0.00 39.78 38.98 1xw2 n ASN 162 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xw2 n SER 163 N -0.83 2.62 -1.11 6.41 3.41 -1.26 -4.18 113.62 118.68 1xw2 n SER 163 Ca 0.13 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 56.97 1xw2 n SER 163 Cb 0.74 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 1xw2 n SER 163 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xw2 n GLY 164 N 1.00 1.39 0.33 5.00 0.00 -1.26 -4.94 105.19 106.70 1xw2 n GLY 164 Ca 0.12 -1.65 0.03 0.00 0.00 0.00 0.00 46.02 44.52 1xw2 n GLY 164 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xw2 h GLU 165 N 0.00 0.90 -6.11 1.61 4.81 -1.98 -3.42 114.58 110.40 1xw2 h GLU 165 Ca 0.00 -0.05 -0.68 0.00 -0.13 0.00 0.00 59.36 58.49 1xw2 h GLU 165 Cb 0.00 -0.20 -0.24 0.00 0.63 0.00 0.00 28.75 28.93 1xw2 h GLU 165 CO 0.00 0.60 -0.77 -0.06 -0.73 0.00 0.00 179.01 178.05 1xw2 s PHE 166 N -6.03 2.72 -1.12 0.92 0.08 -1.26 -5.03 117.98 108.25 1xw2 s PHE 166 Ca -0.12 -0.27 -0.17 0.00 0.12 0.00 0.00 56.93 56.49 1xw2 s PHE 166 Cb 0.19 -1.67 0.13 0.00 -0.57 0.00 0.00 43.02 41.11 1xw2 s PHE 166 CO 0.79 0.10 1.39 1.21 -0.10 0.00 0.00 175.22 178.60 1xw2 s ASN 167 N -0.50 6.86 0.26 1.36 3.84 -1.26 -4.33 114.94 121.18 1xw2 s ASN 167 Ca 0.07 -2.51 -0.01 0.00 0.21 0.00 0.00 52.86 50.61 1xw2 s ASN 167 Cb -0.12 -2.44 0.49 0.00 -0.55 0.00 0.00 41.25 38.63 1xw2 s ASN 167 CO 0.02 -0.96 1.81 1.88 -2.79 0.00 0.00 177.10 177.05 1xw2 h TYR 168 N 7.94 0.95 -0.12 0.43 0.05 -1.84 -1.16 116.97 123.21 1xw2 h TYR 168 Ca 0.28 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 59.08 1xw2 h TYR 168 Cb 0.93 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 38.37 1xw2 h TYR 168 CO 1.18 0.35 0.06 -0.92 -1.05 0.00 0.00 178.16 177.78 1xw2 h TYR 169 N 0.83 0.17 -0.68 4.88 3.20 -1.90 0.96 116.97 124.43 1xw2 h TYR 169 Ca 0.45 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.27 1xw2 h TYR 169 Cb 0.48 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 1xw2 h TYR 169 CO -0.04 0.23 0.25 -0.97 -1.64 0.00 0.00 178.16 175.99 1xw2 h ASN 170 N 0.06 0.93 -0.82 -2.11 -1.24 -1.84 -0.99 115.58 109.58 1xw2 h ASN 170 Ca 0.04 -0.14 -0.02 0.00 0.71 0.00 0.00 56.30 56.89 1xw2 h ASN 170 Cb 0.12 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 38.89 1xw2 h ASN 170 CO -0.00 0.85 0.44 0.44 -1.29 0.00 0.00 177.43 177.87 1xw2 h ASP 171 N 0.99 1.04 -0.25 1.15 3.32 -0.96 -1.70 116.42 120.01 1xw2 h ASP 171 Ca 0.23 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1xw2 h ASP 171 Cb 0.22 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1xw2 h ASP 171 CO -0.02 0.84 -0.01 0.00 -1.72 0.00 0.00 179.24 178.33 1xw2 h ALA 172 N 1.33 0.33 -0.52 3.45 0.00 -0.11 -1.26 119.26 122.48 1xw2 h ALA 172 Ca 0.29 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1xw2 h ALA 172 Cb 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1xw2 h ALA 172 CO -0.05 0.08 0.08 0.82 0.00 0.00 0.00 179.25 180.19 1xw2 h ILE 173 N 0.21 1.23 -0.47 0.00 1.08 -1.11 0.93 117.51 119.39 1xw2 h ILE 173 Ca 0.07 -0.88 -0.01 0.00 -0.39 0.00 0.00 64.86 63.65 1xw2 h ILE 173 Cb 0.44 0.74 -0.02 0.00 -3.07 0.00 0.00 36.82 34.91 1xw2 h ILE 173 CO 0.02 0.32 0.26 0.74 -0.69 0.00 0.00 178.15 178.79 1xw2 h THR 174 N 0.78 1.17 -0.70 -0.27 2.02 -1.21 -0.78 112.91 113.91 1xw2 h THR 174 Ca 0.16 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1xw2 h THR 174 Cb 0.35 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1xw2 h THR 174 CO 0.01 0.18 0.42 -0.03 0.37 0.00 0.00 175.52 176.46 1xw2 h MET 175 N 0.62 0.96 -0.62 6.66 1.85 -0.49 -1.38 114.93 122.53 1xw2 h MET 175 Ca 0.17 -0.09 -0.02 0.00 -0.61 0.00 0.00 59.70 59.14 1xw2 h MET 175 Cb 0.06 -0.20 -0.03 0.00 0.43 0.00 0.00 31.60 31.86 1xw2 h MET 175 CO -0.03 0.69 0.31 -0.07 -0.40 0.00 0.00 176.91 177.41 1xw2 h LEU 176 N 0.96 0.81 -0.79 3.39 3.38 -0.56 -0.81 115.31 121.69 1xw2 h LEU 176 Ca 0.25 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1xw2 h LEU 176 Cb -0.02 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 1xw2 h LEU 176 CO -0.05 0.70 0.52 -1.13 0.09 0.00 0.00 178.44 178.58 1xw2 h ASN 177 N 0.86 0.90 -0.57 -0.43 -1.24 -0.88 -0.73 115.58 113.48 1xw2 h ASN 177 Ca 0.22 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.17 1xw2 h ASN 177 Cb 0.10 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 38.90 1xw2 h ASN 177 CO -0.03 0.65 0.22 0.74 -1.29 0.00 0.00 177.43 177.72 1xw2 h THR 178 N 1.06 1.23 -0.09 -3.57 2.02 -0.86 0.27 112.91 112.96 1xw2 h THR 178 Ca 0.29 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 1xw2 h THR 178 Cb -0.11 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1xw2 h THR 178 CO -0.07 0.28 0.06 0.40 0.37 0.00 0.00 175.52 176.56 1xw2 h ILE 179 N 0.79 1.06 -0.47 3.11 2.04 -0.79 0.72 117.51 123.97 1xw2 h ILE 179 Ca 0.19 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.91 1xw2 h ILE 179 Cb 0.21 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1xw2 h ILE 179 CO -0.01 0.05 0.31 0.50 0.00 0.00 0.00 178.15 178.99 1xw2 h LYS 180 N 0.09 0.60 0.00 2.37 3.64 -0.92 -0.42 116.57 121.93 1xw2 h LYS 180 Ca 0.03 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1xw2 h LYS 180 Cb 0.03 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1xw2 h LYS 180 CO -0.01 0.40 -1.00 -0.91 -2.27 0.00 0.00 179.45 175.67 1xw2 h ASN 181 N 0.62 0.00 0.00 4.20 2.35 -0.85 -3.39 115.58 118.52 1xw2 h ASN 181 Ca 0.17 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1xw2 h ASN 181 Cb -0.06 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 1xw2 h ASN 181 CO -0.05 0.37 -1.02 0.29 -1.65 0.00 0.00 177.43 175.38 1xw2 n LYS 182 N -2.93 2.15 -0.07 0.81 4.76 0.24 -4.85 118.16 118.26 1xw2 n LYS 182 Ca -0.04 -0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.46 1xw2 n LYS 182 Cb 0.72 -1.01 0.08 0.00 -1.84 0.00 0.00 35.03 32.98 1xw2 n LYS 182 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1xw2 n LEU 183 N -1.78 2.00 -4.26 -0.35 4.77 -0.19 -4.61 117.00 112.58 1xw2 n LEU 183 Ca -0.00 -2.49 -0.27 0.00 -0.03 0.00 0.00 56.01 53.22 1xw2 n LEU 183 Cb 0.28 -0.25 -0.14 0.00 -2.33 0.00 0.00 43.42 40.98 1xw2 n LEU 183 CO 0.01 0.59 -0.53 -0.04 -1.33 0.00 0.00 177.39 176.08 1xw2 s MET 184 N -1.98 1.50 -0.19 3.23 -1.94 -1.09 -0.34 119.30 118.49 1xw2 s MET 184 Ca 0.18 -0.94 0.01 0.00 -1.71 0.00 0.00 55.69 53.23 1xw2 s MET 184 Cb 0.16 -1.61 0.04 0.00 2.01 0.00 0.00 34.83 35.43 1xw2 s MET 184 CO 0.02 0.42 -0.11 -2.00 -0.01 0.00 0.00 175.02 173.33 1xw2 s GLU 185 N -1.09 2.10 -1.40 2.03 2.12 -0.17 -4.83 118.70 117.45 1xw2 s GLU 185 Ca 0.08 -0.78 -0.11 0.00 0.36 0.00 0.00 54.97 54.52 1xw2 s GLU 185 Cb -0.09 -2.35 0.01 0.00 0.26 0.00 0.00 34.13 31.96 1xw2 s GLU 185 CO 0.01 -0.38 0.32 0.09 -0.54 0.00 0.00 175.26 174.77 1xw2 n ASN 186 N 4.70 -1.13 -1.15 -1.70 5.03 -1.26 -1.21 115.26 118.54 1xw2 n ASN 186 Ca -0.15 -1.22 -0.15 0.00 0.87 0.00 0.00 54.58 53.93 1xw2 n ASN 186 Cb 0.47 -2.01 -0.06 0.00 -1.02 0.00 0.00 39.78 37.16 1xw2 n ASN 186 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xw2 n GLN 187 N -4.66 -1.08 -4.86 3.52 6.02 -1.26 -5.00 117.38 110.06 1xw2 n GLN 187 Ca -0.25 1.03 -0.33 0.00 -0.01 0.00 0.00 57.00 57.44 1xw2 n GLN 187 Cb 0.65 -5.18 -0.16 0.00 1.02 0.00 0.00 30.24 26.58 1xw2 n GLN 187 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1xw2 s ILE 188 N -2.54 2.60 0.25 5.09 -1.09 -0.35 -4.62 121.20 120.55 1xw2 s ILE 188 Ca 0.00 -0.82 -0.31 0.00 -2.23 0.00 0.00 60.65 57.29 1xw2 s ILE 188 Cb 0.00 -2.06 -0.13 0.00 -1.58 0.00 0.00 42.46 38.69 1xw2 s ILE 188 CO 0.00 0.53 1.46 0.00 -1.23 0.00 0.00 174.94 175.71 1xw2 n ILE 189 N 3.67 0.97 -3.03 2.92 0.13 -1.26 -1.00 119.36 121.75 1xw2 n ILE 189 Ca -0.19 -0.24 -0.33 0.00 -1.10 0.00 0.00 62.75 60.89 1xw2 n ILE 189 Cb 0.53 -1.61 -0.06 0.00 -0.84 0.00 0.00 39.64 37.65 1xw2 n ILE 189 CO 0.00 0.00 0.00 -0.13 2.80 0.00 0.00 176.55 179.22 1xw2 s ARG 190 N -0.43 4.12 0.08 9.51 0.52 0.53 -4.55 118.95 128.73 1xw2 s ARG 190 Ca 0.67 0.85 -0.15 0.00 -0.52 0.00 0.00 55.73 56.58 1xw2 s ARG 190 Cb -0.61 -2.43 -0.16 0.00 0.52 0.00 0.00 34.95 32.28 1xw2 s ARG 190 CO 0.49 0.14 1.28 0.35 0.02 0.00 0.00 175.30 177.58 1xw2 h PHE 191 N 2.33 0.93 -3.09 -0.53 3.57 -1.76 -3.43 116.94 114.96 1xw2 h PHE 191 Ca -0.48 -0.40 -0.16 0.00 3.53 0.00 0.00 57.97 60.46 1xw2 h PHE 191 Cb 1.18 -0.15 -0.25 0.00 2.79 0.00 0.00 35.95 39.52 1xw2 h PHE 191 CO 0.62 1.21 -0.40 0.45 -2.23 0.00 0.00 178.31 177.96 1xw2 s SER 192 N -6.92 -0.28 0.64 0.41 0.15 -1.26 -4.69 113.70 101.76 1xw2 s SER 192 Ca -0.11 0.53 0.36 0.00 0.70 0.00 0.00 55.95 57.42 1xw2 s SER 192 Cb 0.07 0.54 1.99 0.00 -1.71 0.00 0.00 66.02 66.91 1xw2 s SER 192 CO 0.87 -0.10 2.18 -0.65 1.20 0.00 0.00 173.24 176.74 1xw2 h PRO 193 N 5.68 0.00 -0.02 5.44 0.11 -1.92 -3.08 132.00 138.21 1xw2 h PRO 193 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1xw2 h PRO 193 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1xw2 h PRO 193 CO 0.34 0.00 -0.25 0.66 -0.21 0.00 0.00 178.00 178.54 1xw2 n TYR 194 N -3.26 0.00 -4.51 0.65 4.01 -1.26 -4.87 117.16 107.92 1xw2 n TYR 194 Ca -0.02 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.50 1xw2 n TYR 194 Cb 0.22 -0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.09 1xw2 n TYR 194 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1xw2 s ILE 195 N -2.26 0.98 0.37 -0.72 1.01 -1.17 -5.15 121.20 114.27 1xw2 s ILE 195 Ca 0.23 -0.43 0.07 0.00 0.00 0.00 0.00 60.65 60.52 1xw2 s ILE 195 Cb 0.19 -0.89 -0.00 0.00 0.01 0.00 0.00 42.46 41.77 1xw2 s ILE 195 CO 0.44 0.31 0.49 -1.81 0.00 0.00 0.00 174.94 174.37 1xw2 s ASP 196 N 0.41 5.76 -1.47 3.58 1.01 -1.26 -4.53 116.67 120.17 1xw2 s ASP 196 Ca -0.08 -0.32 -0.08 0.00 0.71 0.00 0.00 52.55 52.77 1xw2 s ASP 196 Cb -0.12 -0.97 0.06 0.00 1.01 0.00 0.00 42.92 42.89 1xw2 s ASP 196 CO 0.02 -0.55 0.81 -3.20 0.21 0.00 0.00 175.17 172.45 1xw2 n ASN 197 N -1.69 -2.98 -3.68 0.27 5.15 -1.26 -4.98 115.26 106.08 1xw2 n ASN 197 Ca 0.03 -0.84 -0.13 0.00 -0.60 0.00 0.00 54.58 53.04 1xw2 n ASN 197 Cb 0.59 -3.71 -0.13 0.00 -0.53 0.00 0.00 39.78 35.99 1xw2 n ASN 197 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1xw2 s LEU 198 N -7.06 -0.09 0.26 1.20 2.96 -1.26 -4.21 118.68 110.47 1xw2 s LEU 198 Ca 0.39 0.60 0.03 0.00 -0.22 0.00 0.00 54.13 54.93 1xw2 s LEU 198 Cb -0.20 0.77 -0.05 0.00 0.50 0.00 0.00 46.19 47.21 1xw2 s LEU 198 CO 0.84 -0.21 0.05 0.28 -1.32 0.00 0.00 176.35 175.99 1xw2 s THR 199 N 2.02 0.86 -0.27 3.68 -1.32 -0.31 -2.25 115.64 118.05 1xw2 s THR 199 Ca -0.03 -2.01 0.01 0.00 -1.21 0.00 0.00 61.69 58.45 1xw2 s THR 199 Cb -0.11 -2.55 0.05 0.00 -1.51 0.00 0.00 72.50 68.38 1xw2 s THR 199 CO -0.09 -0.14 -0.08 -0.62 -2.21 0.00 0.00 174.62 171.49 1xw2 s ASP 200 N -3.34 4.51 0.45 8.08 -1.08 -1.26 -1.33 116.67 122.70 1xw2 s ASP 200 Ca 0.34 -1.28 0.27 0.00 -0.52 0.00 0.00 52.55 51.36 1xw2 s ASP 200 Cb 0.07 -1.61 1.32 0.00 -1.46 0.00 0.00 42.92 41.25 1xw2 s ASP 200 CO 0.12 -0.20 1.74 -0.65 0.52 0.00 0.00 175.17 176.70 1xw2 h PRO 201 N 7.87 0.20 0.00 4.34 0.11 -1.78 0.17 132.00 142.91 1xw2 h PRO 201 Ca -0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1xw2 h PRO 201 Cb 1.06 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1xw2 h PRO 201 CO 0.50 0.13 0.00 -1.13 -0.21 0.00 0.00 178.00 177.29 1xw2 n SER 202 N -4.49 0.65 -0.01 -2.05 3.41 -1.26 -1.66 113.62 108.22 1xw2 n SER 202 Ca 0.29 0.71 0.13 0.00 -0.26 0.00 0.00 58.87 59.74 1xw2 n SER 202 Cb 1.14 -0.83 0.50 0.00 -0.26 0.00 0.00 64.21 64.76 1xw2 n SER 202 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1xw2 n TYR 203 N -2.28 0.00 -2.89 7.33 4.02 0.59 -4.79 117.16 119.15 1xw2 n TYR 203 Ca 0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.47 1xw2 n TYR 203 Cb 0.16 -0.38 -0.05 0.00 -0.02 0.00 0.00 39.34 39.05 1xw2 n TYR 203 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1xw2 s HIS 204 N -2.94 2.89 -0.54 -0.72 3.76 -0.66 -4.89 115.29 112.20 1xw2 s HIS 204 Ca 0.15 0.10 0.04 0.00 -0.15 0.00 0.00 55.06 55.20 1xw2 s HIS 204 Cb 0.19 -3.90 0.16 0.00 1.11 0.00 0.00 32.58 30.13 1xw2 s HIS 204 CO 0.58 -1.17 0.36 0.42 -0.85 0.00 0.00 174.74 174.08 1xw2 s ILE 205 N 3.65 1.85 0.29 0.60 1.01 -1.26 -4.85 121.20 122.49 1xw2 s ILE 205 Ca 0.31 -3.32 0.03 0.00 0.00 0.00 0.00 60.65 57.66 1xw2 s ILE 205 Cb -0.12 -2.25 0.29 0.00 0.01 0.00 0.00 42.46 40.38 1xw2 s ILE 205 CO 0.22 -1.01 1.81 -0.65 0.00 0.00 0.00 174.94 175.31 1xw2 h PRO 206 N 5.94 0.89 -0.47 2.79 0.11 -1.89 -1.31 132.00 138.05 1xw2 h PRO 206 Ca 0.11 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.20 1xw2 h PRO 206 Cb 0.85 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.74 1xw2 h PRO 206 CO 0.57 0.59 0.31 0.00 -0.21 0.00 0.00 178.00 179.26 1xw2 h ALA 207 N 1.57 1.81 -0.80 -0.75 0.00 -1.93 -1.31 119.26 117.85 1xw2 h ALA 207 Ca 0.52 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.42 1xw2 h ALA 207 Cb 0.62 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1xw2 h ALA 207 CO -0.30 0.14 0.53 0.74 0.00 0.00 0.00 179.25 180.35 1xw2 h PHE 208 N 0.51 1.00 -0.40 0.00 -1.00 -1.67 -1.28 116.94 114.10 1xw2 h PHE 208 Ca 0.19 0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.88 1xw2 h PHE 208 Cb 0.13 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 39.34 1xw2 h PHE 208 CO -0.00 0.62 -0.21 1.88 -1.61 0.00 0.00 178.31 178.98 1xw2 h TYR 209 N 1.07 0.90 -0.85 -0.55 0.05 -1.29 0.11 116.97 116.40 1xw2 h TYR 209 Ca 0.30 -0.20 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 1xw2 h TYR 209 Cb -0.09 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 37.39 1xw2 h TYR 209 CO -0.02 0.93 0.44 -0.44 -1.05 0.00 0.00 178.16 178.02 1xw2 h ASP 210 N 0.69 1.09 -0.48 3.88 3.32 -1.24 -0.69 116.42 123.00 1xw2 h ASP 210 Ca 0.10 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 1xw2 h ASP 210 Cb 0.73 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1xw2 h ASP 210 CO 0.06 0.90 0.12 0.22 -1.72 0.00 0.00 179.24 178.81 1xw2 h TYR 211 N 1.20 0.81 -0.36 4.55 3.20 -0.82 -2.42 116.97 123.12 1xw2 h TYR 211 Ca 0.30 -0.10 0.05 0.00 3.14 0.00 0.00 58.73 62.12 1xw2 h TYR 211 Cb 0.08 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.07 1xw2 h TYR 211 CO 0.01 0.73 0.10 0.74 -1.64 0.00 0.00 178.16 178.10 1xw2 h PHE 212 N 0.65 0.18 -0.96 -3.82 0.04 -0.49 -2.45 116.94 110.09 1xw2 h PHE 212 Ca 0.15 0.02 0.10 0.00 2.80 0.00 0.00 57.97 61.04 1xw2 h PHE 212 Cb 0.33 -0.03 -0.08 0.00 2.20 0.00 0.00 35.95 38.37 1xw2 h PHE 212 CO 0.02 0.06 0.60 0.00 -0.60 0.00 0.00 178.31 178.39 1xw2 h ALA 213 N 1.25 1.40 0.00 2.45 0.00 -0.92 -1.04 119.26 122.41 1xw2 h ALA 213 Ca 0.17 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1xw2 h ALA 213 Cb 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1xw2 h ALA 213 CO -0.19 0.27 0.00 0.09 0.00 0.00 0.00 179.25 179.41 1xw2 n ASN 214 N -4.61 0.00 0.00 0.00 3.02 -0.93 -3.64 115.26 109.10 1xw2 n ASN 214 Ca 0.17 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1xw2 n ASN 214 Cb 0.28 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 1xw2 n ASN 214 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xw2 n ASN 215 N -1.27 1.56 -4.94 6.41 3.02 -0.44 -4.87 115.26 114.73 1xw2 n ASN 215 Ca 0.14 -1.57 -0.23 0.00 -0.03 0.00 0.00 54.58 52.89 1xw2 n ASN 215 Cb 0.22 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.36 1xw2 n ASN 215 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1xw2 s VAL 216 N -0.57 5.16 -0.18 2.41 -7.23 -0.94 -5.02 120.40 114.03 1xw2 s VAL 216 Ca 0.00 -0.94 -0.04 0.00 -1.81 0.00 0.00 61.98 59.19 1xw2 s VAL 216 Cb 0.00 -3.75 -0.22 0.00 0.56 0.00 0.00 36.38 32.97 1xw2 s VAL 216 CO 0.00 -0.25 0.10 0.35 -0.31 0.00 0.00 175.10 175.00 1xw2 n THR 217 N -1.07 1.65 -2.99 5.32 -2.24 -1.26 -4.84 114.28 108.85 1xw2 n THR 217 Ca -0.08 -0.60 -0.35 0.00 -2.27 0.00 0.00 64.05 60.74 1xw2 n THR 217 Cb 0.56 -1.61 -0.06 0.00 -2.10 0.00 0.00 70.33 67.11 1xw2 n THR 217 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xw2 s ASN 218 N -6.83 7.05 0.17 3.42 2.20 -1.26 -4.95 114.94 114.75 1xw2 s ASN 218 Ca -0.28 1.53 -0.14 0.00 -0.94 0.00 0.00 52.86 53.03 1xw2 s ASN 218 Cb 0.08 -2.47 0.12 0.00 -2.00 0.00 0.00 41.25 36.99 1xw2 s ASN 218 CO 0.69 -0.10 1.77 -0.61 -2.94 0.00 0.00 177.10 175.92 1xw2 h GLN 219 N 2.90 0.42 -0.63 3.55 4.15 -1.99 -1.68 115.11 121.83 1xw2 h GLN 219 Ca -0.48 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 58.95 1xw2 h GLN 219 Cb 1.19 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.74 1xw2 h GLN 219 CO 0.65 0.28 0.37 0.00 -1.93 0.00 0.00 178.83 178.20 1xw2 h ALA 220 N 1.27 0.82 -0.13 3.38 0.00 -1.99 -1.46 119.26 121.15 1xw2 h ALA 220 Ca 0.21 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1xw2 h ALA 220 Cb 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xw2 h ALA 220 CO -0.17 0.10 -0.61 -0.44 0.00 0.00 0.00 179.25 178.13 1xw2 h ASP 221 N 0.72 0.51 -0.19 0.00 3.32 -1.89 -0.35 116.42 118.54 1xw2 h ASP 221 Ca 0.26 -0.29 0.02 0.00 0.02 0.00 0.00 57.03 57.04 1xw2 h ASP 221 Cb 0.07 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1xw2 h ASP 221 CO -0.13 1.00 0.05 0.11 -1.72 0.00 0.00 179.24 178.55 1xw2 h LYS 222 N 0.33 0.13 -0.71 3.56 1.57 -1.01 -1.96 116.57 118.48 1xw2 h LYS 222 Ca -0.01 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1xw2 h LYS 222 Cb 1.15 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 1xw2 h LYS 222 CO 0.11 0.08 0.19 -0.91 -0.57 0.00 0.00 179.45 178.35 1xw2 h ASN 223 N 0.13 1.06 -0.11 0.86 4.21 -1.12 -2.34 115.58 118.27 1xw2 h ASN 223 Ca 0.08 -0.22 0.04 0.00 1.21 0.00 0.00 56.30 57.42 1xw2 h ASN 223 Cb 0.07 -0.28 -0.04 0.00 -1.12 0.00 0.00 38.32 36.95 1xw2 h ASN 223 CO -0.10 1.00 -0.13 0.22 -1.29 0.00 0.00 177.43 177.13 1xw2 h TYR 224 N 1.07 -0.34 -0.07 1.19 3.20 -0.79 -1.28 116.97 119.95 1xw2 h TYR 224 Ca 0.22 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.98 1xw2 h TYR 224 Cb 0.35 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1xw2 h TYR 224 CO 0.03 -0.20 -0.56 -1.49 -1.64 0.00 0.00 178.16 174.30 1xw2 h TRP 225 N -0.17 0.27 -0.83 -3.82 4.06 -1.25 -1.45 115.95 112.76 1xw2 h TRP 225 Ca 0.08 -0.10 -0.04 0.00 2.06 0.00 0.00 58.89 60.90 1xw2 h TRP 225 Cb 0.29 -0.05 -0.04 0.00 -1.00 0.00 0.00 29.16 28.37 1xw2 h TRP 225 CO -0.25 0.72 0.36 0.00 -3.56 0.00 0.00 178.44 175.72 1xw2 h ARG 226 N 0.16 1.22 -0.54 0.49 3.08 -1.23 -1.11 114.38 116.46 1xw2 h ARG 226 Ca -0.00 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 59.74 1xw2 h ARG 226 Cb 1.03 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 1xw2 h ARG 226 CO 0.08 0.96 -0.07 1.96 -1.07 0.00 0.00 179.97 181.83 1xw2 h GLN 227 N 1.20 0.99 -0.70 0.04 4.20 -0.89 -1.88 115.11 118.07 1xw2 h GLN 227 Ca 0.28 -0.34 0.01 0.00 0.06 0.00 0.00 58.65 58.67 1xw2 h GLN 227 Cb 0.17 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 1xw2 h GLN 227 CO -0.03 1.01 0.45 0.28 -0.67 0.00 0.00 178.83 179.88 1xw2 h VAL 228 N 0.89 1.15 -0.14 -0.54 2.07 -0.98 -0.42 116.25 118.28 1xw2 h VAL 228 Ca 0.15 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1xw2 h VAL 228 Cb 0.62 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1xw2 h VAL 228 CO 0.04 0.17 0.02 0.00 0.02 0.00 0.00 177.57 177.81 1xw2 h ALA 229 N 1.27 0.13 -0.41 1.67 0.00 -0.92 0.09 119.26 121.09 1xw2 h ALA 229 Ca 0.26 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1xw2 h ALA 229 Cb -0.07 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1xw2 h ALA 229 CO -0.07 -0.43 0.23 1.15 0.00 0.00 0.00 179.25 180.12 1xw2 h THR 230 N 0.07 1.15 0.00 0.00 2.02 -1.12 -1.93 112.91 113.11 1xw2 h THR 230 Ca 0.06 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 1xw2 h THR 230 Cb 0.06 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1xw2 h THR 230 CO -0.09 0.16 -0.26 0.11 0.37 0.00 0.00 175.52 175.80 1xw2 h LYS 231 N 0.53 0.00 -0.09 6.66 1.57 -0.88 -1.15 116.57 123.21 1xw2 h LYS 231 Ca 0.14 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 1xw2 h LYS 231 Cb 0.05 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.36 1xw2 h LYS 231 CO -0.02 0.26 -0.42 1.03 -0.57 0.00 0.00 179.45 179.73 1xw2 h SER 232 N 0.00 0.53 -0.95 0.86 0.87 -0.63 -0.17 113.55 114.06 1xw2 h SER 232 Ca -0.00 -0.64 -0.01 0.00 -1.23 0.00 0.00 61.79 59.91 1xw2 h SER 232 Cb 0.57 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.33 1xw2 h SER 232 CO 0.03 1.08 0.56 0.03 -0.53 0.00 0.00 176.83 178.01 1xw2 h ARG 233 N 0.01 1.29 -0.39 2.24 3.08 -1.10 -0.50 114.38 119.01 1xw2 h ARG 233 Ca -0.03 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1xw2 h ARG 233 Cb 1.07 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 1xw2 h ARG 233 CO 0.09 0.90 0.20 1.15 -1.07 0.00 0.00 179.97 181.25 1xw2 h THR 234 N 1.31 1.16 -0.28 2.04 2.02 -1.14 0.16 112.91 118.17 1xw2 h THR 234 Ca 0.34 -0.42 0.02 0.00 0.77 0.00 0.00 66.41 67.12 1xw2 h THR 234 Cb -0.05 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 1xw2 h THR 234 CO -0.06 0.17 0.12 0.25 0.37 0.00 0.00 175.52 176.36 1xw2 h LEU 235 N 0.50 0.16 -0.46 2.58 7.12 -0.55 0.10 115.31 124.75 1xw2 h LEU 235 Ca 0.14 0.02 -0.08 0.00 0.13 0.00 0.00 57.88 58.09 1xw2 h LEU 235 Cb 0.08 -0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.19 1xw2 h LEU 235 CO -0.02 0.13 -0.02 -0.07 -0.13 0.00 0.00 178.44 178.33 1xw2 h LEU 236 N 0.26 0.81 -0.39 2.25 3.38 -0.91 0.41 115.31 121.12 1xw2 h LEU 236 Ca 0.12 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.81 1xw2 h LEU 236 Cb 0.06 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1xw2 h LEU 236 CO -0.10 0.93 0.16 0.11 0.09 0.00 0.00 178.44 179.63 1xw2 h LYS 237 N 0.68 0.32 -0.54 1.13 1.57 -0.46 -0.52 116.57 118.74 1xw2 h LYS 237 Ca 0.13 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1xw2 h LYS 237 Cb 0.53 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1xw2 h LYS 237 CO 0.03 0.21 0.10 -0.91 -0.57 0.00 0.00 179.45 178.31 1xw2 h ASN 238 N 0.33 0.86 -0.42 0.86 2.35 -0.55 -1.42 115.58 117.59 1xw2 h ASN 238 Ca 0.18 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1xw2 h ASN 238 Cb 0.13 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1xw2 h ASN 238 CO -0.16 0.90 0.24 -0.74 -1.65 0.00 0.00 177.43 176.02 1xw2 h HIS 239 N 0.79 0.56 -0.23 1.19 2.76 -0.65 -1.09 115.15 118.48 1xw2 h HIS 239 Ca 0.17 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.23 1xw2 h HIS 239 Cb 0.40 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 1xw2 h HIS 239 CO 0.03 0.42 -0.27 0.74 -1.30 0.00 0.00 177.93 177.54 1xw2 h PHE 240 N 0.55 0.50 -0.56 5.26 0.04 -0.95 -0.01 116.94 121.76 1xw2 h PHE 240 Ca 0.15 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1xw2 h PHE 240 Cb 0.03 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.03 1xw2 h PHE 240 CO -0.03 0.68 0.36 1.15 -0.60 0.00 0.00 178.31 179.87 1xw2 h THR 241 N 0.39 1.16 0.00 -1.55 2.02 -1.02 -2.34 112.91 111.57 1xw2 h THR 241 Ca 0.06 -0.32 -0.11 0.00 0.77 0.00 0.00 66.41 66.80 1xw2 h THR 241 Cb 0.69 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1xw2 h THR 241 CO 0.05 0.16 -0.53 0.11 0.37 0.00 0.00 175.52 175.68 1xw2 h LYS 242 N 0.76 0.00 -0.01 6.66 1.57 -0.43 -2.86 116.57 122.26 1xw2 h LYS 242 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1xw2 h LYS 242 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1xw2 h LYS 242 CO -0.04 0.53 -0.20 1.33 -0.57 0.00 0.00 179.45 180.50 1xw2 n VAL 243 N -3.65 0.00 -2.07 0.50 0.24 -0.09 -4.77 118.33 108.49 1xw2 n VAL 243 Ca -0.01 -0.15 -0.41 0.00 -2.04 0.00 0.00 64.34 61.73 1xw2 n VAL 243 Cb 0.59 0.42 -0.03 0.00 -1.47 0.00 0.00 33.84 33.35 1xw2 n VAL 243 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1xw2 s SER 244 N -2.40 6.73 0.96 -1.34 0.01 -0.89 0.01 113.70 116.78 1xw2 s SER 244 Ca 0.27 2.57 0.00 0.00 1.31 0.00 0.00 55.95 60.10 1xw2 s SER 244 Cb 0.20 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.81 1xw2 s SER 244 CO 0.48 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 174.08 1xw2 n GLY 245 N 2.46 0.96 3.77 3.44 0.00 -1.26 -4.68 105.19 109.88 1xw2 n GLY 245 Ca 0.07 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 1xw2 n GLY 245 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xw2 s SER 246 N -4.00 6.57 0.00 1.61 0.15 -1.26 0.50 113.70 117.27 1xw2 s SER 246 Ca 0.00 2.80 0.24 0.00 0.70 0.00 0.00 55.95 59.68 1xw2 s SER 246 Cb 0.00 -2.65 0.17 0.00 -1.71 0.00 0.00 66.02 61.83 1xw2 s SER 246 CO 0.00 -0.69 1.22 -0.81 1.20 0.00 0.00 173.24 174.16 1xw2 n PRO 247 N 0.59 1.58 0.05 5.44 -0.04 -1.26 -4.84 135.00 136.53 1xw2 n PRO 247 Ca 0.01 -1.28 0.12 0.00 -0.04 0.00 0.00 63.50 62.31 1xw2 n PRO 247 Cb 0.41 -1.47 0.21 0.00 -0.04 0.00 0.00 33.50 32.61 1xw2 n PRO 247 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1xw2 n HIS 248 N 0.41 0.44 -3.83 0.54 8.25 -1.00 -4.11 115.22 115.92 1xw2 n HIS 248 Ca 0.12 0.13 -0.26 0.00 -0.26 0.00 0.00 57.72 57.45 1xw2 n HIS 248 Cb 0.50 -0.59 0.02 0.00 1.12 0.00 0.00 29.99 31.05 1xw2 n HIS 248 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1xw2 n TRP 249 N -1.98 -2.05 -0.99 4.41 7.02 0.18 -3.37 117.44 120.66 1xw2 n TRP 249 Ca 0.04 0.86 0.00 0.00 -1.02 0.00 0.00 57.50 57.38 1xw2 n TRP 249 Cb 0.42 -4.11 0.00 0.00 -2.42 0.00 0.00 31.31 25.19 1xw2 n TRP 249 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1xw2 n ASN 250 N -2.94 -3.06 -4.63 -0.99 3.02 0.10 -4.83 115.26 101.92 1xw2 n ASN 250 Ca -0.14 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.06 1xw2 n ASN 250 Cb 0.61 -0.86 -0.10 0.00 -0.61 0.00 0.00 39.78 38.82 1xw2 n ASN 250 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xw2 s LEU 251 N 0.00 3.54 0.75 3.41 1.43 -1.22 -3.63 118.68 122.97 1xw2 s LEU 251 Ca 0.00 0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 1xw2 s LEU 251 Cb 0.00 -1.83 0.04 0.00 0.03 0.00 0.00 46.19 44.43 1xw2 s LEU 251 CO 0.00 0.30 1.08 -2.16 0.23 0.00 0.00 176.35 175.79 1xw2 s PRO 252 N -0.38 2.49 0.37 1.29 0.04 -1.26 -4.89 135.00 132.66 1xw2 s PRO 252 Ca 0.07 1.05 0.08 0.00 0.04 0.00 0.00 61.00 62.24 1xw2 s PRO 252 Cb -0.12 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 1xw2 s PRO 252 CO 0.02 -1.44 0.11 0.95 0.04 0.00 0.00 177.00 176.68 1xw2 s THR 253 N -2.97 2.62 0.13 1.26 -4.23 -1.26 -4.21 115.64 106.97 1xw2 s THR 253 Ca 0.60 -1.79 -0.26 0.00 -1.18 0.00 0.00 61.69 59.07 1xw2 s THR 253 Cb -0.16 -2.93 -0.04 0.00 1.34 0.00 0.00 72.50 70.71 1xw2 s THR 253 CO 0.56 -0.12 1.63 0.15 -0.54 0.00 0.00 174.62 176.30 1xw2 h PHE 254 N 1.59 -0.73 -3.93 3.99 3.57 -0.64 -3.40 116.94 117.39 1xw2 h PHE 254 Ca -0.43 0.03 -0.58 0.00 3.53 0.00 0.00 57.97 60.51 1xw2 h PHE 254 Cb 1.25 0.33 -0.22 0.00 2.79 0.00 0.00 35.95 40.10 1xw2 h PHE 254 CO 0.65 -0.36 -0.83 -0.51 -2.23 0.00 0.00 178.31 175.03 1xw2 s LEU 255 N -10.37 2.30 -0.02 0.59 1.43 -0.52 -4.04 118.68 108.05 1xw2 s LEU 255 Ca -0.15 -0.69 -0.06 0.00 -1.03 0.00 0.00 54.13 52.20 1xw2 s LEU 255 Cb 0.09 -0.94 0.00 0.00 0.03 0.00 0.00 46.19 45.37 1xw2 s LEU 255 CO 0.66 0.08 0.12 -0.55 0.23 0.00 0.00 176.35 176.90 1xw2 s SER 256 N -1.91 -0.02 0.89 2.29 0.15 -0.44 -1.60 113.70 113.06 1xw2 s SER 256 Ca 0.08 -0.05 -0.12 0.00 0.70 0.00 0.00 55.95 56.55 1xw2 s SER 256 Cb -0.10 0.23 0.13 0.00 -1.71 0.00 0.00 66.02 64.56 1xw2 s SER 256 CO 0.04 -0.25 1.13 -0.13 1.20 0.00 0.00 173.24 175.24 1xw2 s ARG 257 N -0.86 1.32 0.23 5.44 1.81 0.11 -1.16 118.95 125.83 1xw2 s ARG 257 Ca -0.10 0.36 0.22 0.00 -1.72 0.00 0.00 55.73 54.49 1xw2 s ARG 257 Cb -0.05 -1.85 0.93 0.00 -0.45 0.00 0.00 34.95 33.53 1xw2 s ARG 257 CO 0.01 -2.09 1.67 1.28 -0.68 0.00 0.00 175.30 175.49 1xw2 n LEU 258 N -3.70 0.57 -0.74 2.53 4.77 -1.26 -1.21 117.00 117.95 1xw2 n LEU 258 Ca 0.07 0.65 0.10 0.00 -0.03 0.00 0.00 56.01 56.80 1xw2 n LEU 258 Cb 0.59 -0.58 0.31 0.00 -2.33 0.00 0.00 43.42 41.41 1xw2 n LEU 258 CO 0.57 -0.54 0.74 -0.90 -1.33 0.00 0.00 177.39 175.93 1xw2 n ASP 259 N -2.14 2.21 0.00 -1.43 5.75 -1.26 -4.88 116.55 114.80 1xw2 n ASP 259 Ca 0.02 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 1xw2 n ASP 259 Cb 0.21 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 1xw2 n ASP 259 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xw2 n GLY 260 N 1.24 0.85 3.68 6.12 0.00 -0.35 -4.62 105.19 112.11 1xw2 n GLY 260 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1xw2 n GLY 260 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xw2 s SER 261 N -2.89 6.76 0.29 1.61 0.01 -1.25 -4.02 113.70 114.20 1xw2 s SER 261 Ca 0.00 2.22 -0.29 0.00 1.31 0.00 0.00 55.95 59.19 1xw2 s SER 261 Cb 0.00 -2.56 -0.13 0.00 0.21 0.00 0.00 66.02 63.54 1xw2 s SER 261 CO 0.00 -0.80 1.30 -2.65 0.41 0.00 0.00 173.24 171.51 1xw2 n PRO 262 N 5.70 1.99 -2.46 12.44 -0.02 -1.26 0.08 135.00 151.47 1xw2 n PRO 262 Ca 0.14 0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 61.91 1xw2 n PRO 262 Cb 0.43 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 1xw2 n PRO 262 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xw2 s VAL 263 N -0.65 4.18 -0.22 -1.45 1.01 -0.63 -4.77 120.40 117.86 1xw2 s VAL 263 Ca 0.61 1.56 -0.13 0.00 0.00 0.00 0.00 61.98 64.01 1xw2 s VAL 263 Cb -0.62 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 31.72 1xw2 s VAL 263 CO 0.57 0.10 0.29 -0.63 0.00 0.00 0.00 175.10 175.43 1xw2 s ILE 264 N 1.23 5.27 0.00 2.22 -1.09 -1.26 -0.57 121.20 126.99 1xw2 s ILE 264 Ca 0.57 0.47 0.00 0.00 -2.23 0.00 0.00 60.65 59.46 1xw2 s ILE 264 Cb -0.28 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1xw2 s ILE 264 CO 0.28 0.29 0.00 0.61 -1.23 0.00 0.00 174.94 174.89 1xw2 n GLY 265 N 4.10 0.48 3.85 6.18 0.00 -1.26 -4.78 105.19 113.75 1xw2 n GLY 265 Ca -0.11 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 1xw2 n GLY 265 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xw2 s TYR 266 N 0.00 3.68 0.00 1.61 2.02 -1.26 -1.24 117.35 122.15 1xw2 s TYR 266 Ca 0.00 0.92 0.00 0.00 -0.37 0.00 0.00 57.07 57.62 1xw2 s TYR 266 Cb 0.00 -2.24 0.00 0.00 -0.40 0.00 0.00 41.96 39.32 1xw2 s TYR 266 CO 0.00 0.60 0.01 0.44 -1.57 0.00 0.00 175.55 175.03 1xw2 n ILE 267 N 1.51 0.00 -3.71 2.71 -5.35 -1.26 -5.04 119.36 108.22 1xw2 n ILE 267 Ca -0.12 -0.23 -0.14 0.00 -0.27 0.00 0.00 62.75 61.99 1xw2 n ILE 267 Cb 0.52 1.02 -0.09 0.00 -1.74 0.00 0.00 39.64 39.36 1xw2 n ILE 267 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 1xw2 s PHE 268 N -0.44 -0.36 0.11 4.28 -0.12 -1.26 -5.12 117.98 115.08 1xw2 s PHE 268 Ca 0.00 0.70 -0.31 0.00 -0.05 0.00 0.00 56.93 57.27 1xw2 s PHE 268 Cb 0.00 0.17 -0.10 0.00 -0.63 0.00 0.00 43.02 42.46 1xw2 s PHE 268 CO 0.00 -0.38 1.76 -0.80 -0.05 0.00 0.00 175.22 175.76 1xw2 s ASN 269 N -0.80 6.48 0.00 1.98 0.02 -1.26 -2.23 114.94 119.13 1xw2 s ASN 269 Ca -0.09 2.68 0.00 0.00 -1.02 0.00 0.00 52.86 54.43 1xw2 s ASN 269 Cb -0.04 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.67 1xw2 s ASN 269 CO 0.04 -0.96 0.00 0.61 0.02 0.00 0.00 177.10 176.81 1xw2 n GLY 270 N 4.13 0.39 3.72 0.66 0.00 -1.26 -5.07 105.19 107.76 1xw2 n GLY 270 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1xw2 n GLY 270 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1xw2 n GLN 271 N -1.52 2.79 -0.03 1.61 7.27 -0.95 -4.93 117.38 121.62 1xw2 n GLN 271 Ca 0.00 1.01 -0.16 0.00 0.07 0.00 0.00 57.00 57.91 1xw2 n GLN 271 Cb 0.00 -2.86 -0.08 0.00 2.41 0.00 0.00 30.24 29.71 1xw2 n GLN 271 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xw2 h ALA 272 N 6.90 0.24 -2.45 1.69 0.00 -1.97 -3.47 119.26 120.19 1xw2 h ALA 272 Ca -0.43 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 53.86 1xw2 h ALA 272 Cb 1.20 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 1xw2 h ALA 272 CO 0.96 0.46 -0.46 -0.80 0.00 0.00 0.00 179.25 179.41 1xw2 s ASN 273 N -6.77 0.21 0.49 0.00 0.01 -1.26 -5.14 114.94 102.48 1xw2 s ASN 273 Ca -0.12 -0.72 -0.22 0.00 -0.71 0.00 0.00 52.86 51.09 1xw2 s ASN 273 Cb 0.06 0.30 -0.08 0.00 0.41 0.00 0.00 41.25 41.94 1xw2 s ASN 273 CO 0.85 -0.68 1.13 -2.65 -1.51 0.00 0.00 177.10 174.24 1xw2 n PRO 274 N 0.06 1.44 0.21 -0.60 -0.02 -1.26 -4.89 135.00 129.95 1xw2 n PRO 274 Ca -0.15 0.53 0.06 0.00 -2.02 0.00 0.00 63.50 61.91 1xw2 n PRO 274 Cb 0.62 -2.27 0.54 0.00 -0.02 0.00 0.00 33.50 32.37 1xw2 n PRO 274 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1xw2 h GLY 275 N 1.37 0.06 -0.28 -1.23 0.00 -1.26 -2.84 103.07 98.90 1xw2 h GLY 275 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1xw2 h GLY 275 CO 0.56 0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.74 1xw2 n GLN 276 N -4.42 1.55 -2.27 4.80 0.00 0.26 -1.44 117.38 115.87 1xw2 n GLN 276 Ca -0.02 -0.81 -0.42 0.00 0.00 0.00 0.00 57.00 55.75 1xw2 n GLN 276 Cb 0.17 -1.45 -0.03 0.00 0.00 0.00 0.00 30.24 28.93 1xw2 n GLN 276 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1xw2 s TRP 277 N -1.95 3.32 -0.59 2.61 0.52 -1.07 -4.51 118.94 117.26 1xw2 s TRP 277 Ca 0.38 1.16 -0.28 0.00 0.02 0.00 0.00 56.10 57.38 1xw2 s TRP 277 Cb 0.20 -3.57 0.03 0.00 -1.15 0.00 0.00 33.47 28.98 1xw2 s TRP 277 CO 0.32 -1.85 1.17 -0.47 0.02 0.00 0.00 176.95 176.14 1xw2 s TYR 278 N 0.70 2.60 0.00 -1.98 5.04 0.55 -0.48 117.35 123.77 1xw2 s TYR 278 Ca 0.60 0.33 0.00 0.00 -2.44 0.00 0.00 57.07 55.56 1xw2 s TYR 278 Cb -0.34 -4.48 0.00 0.00 0.35 0.00 0.00 41.96 37.48 1xw2 s TYR 278 CO 0.33 -1.60 0.00 -0.85 -1.34 0.00 0.00 175.55 172.08 1xw2 n GLU 279 N 8.42 1.52 -0.24 4.97 -0.00 -1.26 -1.41 120.64 132.64 1xw2 n GLU 279 Ca 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 57.16 57.23 1xw2 n GLU 279 Cb 0.49 0.00 0.12 0.00 -0.00 0.00 0.00 31.44 32.04 1xw2 n GLU 279 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.13 177.87 1xw2 h PHE 280 N 0.00 0.66 -0.05 -1.84 0.04 -1.94 -1.53 116.94 112.29 1xw2 h PHE 280 Ca 0.00 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 1xw2 h PHE 280 Cb 0.00 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 37.95 1xw2 h PHE 280 CO 0.00 0.28 0.01 -0.44 -0.60 0.00 0.00 178.31 177.57 1xw2 h ASP 281 N 0.65 0.07 -0.13 2.17 5.19 -1.97 -3.17 116.42 119.23 1xw2 h ASP 281 Ca 0.32 -0.20 0.04 0.00 -0.62 0.00 0.00 57.03 56.57 1xw2 h ASP 281 Cb 0.27 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 1xw2 h ASP 281 CO -0.22 0.25 0.12 0.00 -3.12 0.00 0.00 179.24 176.27 1xw2 h ALA 282 N 0.82 1.89 -1.03 3.45 0.00 -1.63 -1.42 119.26 121.33 1xw2 h ALA 282 Ca 0.01 -0.00 0.26 0.00 0.00 0.00 0.00 54.91 55.18 1xw2 h ALA 282 Cb 0.21 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.91 1xw2 h ALA 282 CO -0.00 -0.18 0.65 -1.49 0.00 0.00 0.00 179.25 178.23 1xw2 h TRP 283 N 0.00 0.73 0.00 0.00 6.55 -1.28 -1.64 115.95 120.31 1xw2 h TRP 283 Ca 0.06 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.93 1xw2 h TRP 283 Cb 0.29 -0.21 0.00 0.00 -0.86 0.00 0.00 29.16 28.38 1xw2 h TRP 283 CO 0.00 0.07 0.00 0.00 -1.05 0.00 0.00 178.44 177.46 1xw2 h ARG 284 N 0.44 0.00 0.48 0.49 3.08 -1.44 -3.35 114.38 114.08 1xw2 h ARG 284 Ca 0.60 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.63 1xw2 h ARG 284 Cb 1.43 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.48 1xw2 h ARG 284 CO -0.33 0.00 -0.30 0.28 -1.07 0.00 0.00 179.97 178.56 1xw2 h VAL 285 N 0.00 0.39 0.00 2.04 2.07 -1.46 0.10 116.25 119.39 1xw2 h VAL 285 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1xw2 h VAL 285 Cb 0.64 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1xw2 h VAL 285 CO 0.00 0.00 -0.21 0.16 0.02 0.00 0.00 177.57 177.54 1xw2 h ILE 286 N -0.74 0.56 -0.17 4.57 3.07 -1.77 -0.29 117.51 122.74 1xw2 h ILE 286 Ca -0.06 -1.02 0.01 0.00 1.55 0.00 0.00 64.86 65.35 1xw2 h ILE 286 Cb 0.61 1.69 -0.01 0.00 -0.27 0.00 0.00 36.82 38.83 1xw2 h ILE 286 CO 0.06 0.20 0.08 -0.03 -1.05 0.00 0.00 178.15 177.41 1xw2 h MET 287 N 0.00 0.17 -0.45 0.16 4.05 -1.56 -0.01 114.93 117.28 1xw2 h MET 287 Ca -0.00 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.37 1xw2 h MET 287 Cb 0.67 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.41 1xw2 h MET 287 CO 0.03 0.11 0.12 -0.91 0.23 0.00 0.00 176.91 176.49 1xw2 h ASN 288 N 0.17 0.62 -0.52 1.39 2.35 0.16 -0.25 115.58 119.51 1xw2 h ASN 288 Ca 0.07 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 1xw2 h ASN 288 Cb 0.02 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1xw2 h ASN 288 CO -0.05 0.61 0.10 0.58 -1.65 0.00 0.00 177.43 177.03 1xw2 h VAL 289 N 0.66 1.25 -0.33 2.81 2.07 -0.81 0.03 116.25 121.92 1xw2 h VAL 289 Ca 0.15 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1xw2 h VAL 289 Cb 0.23 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1xw2 h VAL 289 CO -0.00 0.33 0.21 1.23 0.02 0.00 0.00 177.57 179.35 1xw2 h GLY 290 N 0.73 0.47 0.42 2.17 0.00 -0.55 -0.67 103.07 105.64 1xw2 h GLY 290 Ca 0.16 -0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.38 1xw2 h GLY 290 CO 0.01 0.15 -0.12 -2.00 0.00 0.00 0.00 176.54 174.57 1xw2 h LEU 291 N 0.42 -0.40 -0.84 3.11 6.46 -0.83 -1.16 115.31 122.07 1xw2 h LEU 291 Ca 0.13 0.09 -0.05 0.00 -0.12 0.00 0.00 57.88 57.93 1xw2 h LEU 291 Cb -0.02 0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 1xw2 h LEU 291 CO -0.05 -0.16 0.25 -0.78 -0.62 0.00 0.00 178.44 177.08 1xw2 h ASP 292 N -0.11 1.03 -0.39 1.25 1.82 -0.68 -0.28 116.42 119.06 1xw2 h ASP 292 Ca 0.12 -0.18 -0.03 0.00 -0.39 0.00 0.00 57.03 56.55 1xw2 h ASP 292 Cb 0.29 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 40.01 1xw2 h ASP 292 CO -0.28 0.94 0.15 0.00 -1.61 0.00 0.00 179.24 178.44 1xw2 h ALA 293 N 1.20 0.51 0.04 -0.78 0.00 -0.87 0.14 119.26 119.50 1xw2 h ALA 293 Ca 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xw2 h ALA 293 Cb 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1xw2 h ALA 293 CO -0.01 0.13 -0.02 1.25 0.00 0.00 0.00 179.25 180.59 1xw2 h HIS 294 N 0.49 -0.05 0.16 0.00 -0.00 -0.88 -0.48 115.15 114.38 1xw2 h HIS 294 Ca 0.13 -0.00 -0.29 0.00 -0.00 0.00 0.00 60.37 60.21 1xw2 h HIS 294 Cb 0.21 0.02 0.01 0.00 -0.00 0.00 0.00 27.41 27.65 1xw2 h HIS 294 CO 0.00 0.15 -1.32 -0.07 -0.00 0.00 0.00 177.93 176.69 1xw2 h LEU 295 N -0.25 0.52 -0.70 0.26 -0.00 -1.03 -0.04 115.31 114.08 1xw2 h LEU 295 Ca -0.01 -0.57 0.00 0.00 -0.00 0.00 0.00 57.88 57.31 1xw2 h LEU 295 Cb 0.23 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 40.72 1xw2 h LEU 295 CO 0.01 1.45 -0.05 0.23 -0.00 0.00 0.00 178.44 180.07 1xw2 n MET 296 N -3.57 1.97 0.00 1.13 2.81 0.47 -1.20 117.12 118.73 1xw2 n MET 296 Ca -0.11 -0.43 0.00 0.00 -1.81 0.00 0.00 57.70 55.35 1xw2 n MET 296 Cb 1.04 -0.90 0.00 0.00 -0.71 0.00 0.00 33.22 32.65 1xw2 n MET 296 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xw2 n GLY 297 N 0.52 2.99 3.68 3.03 0.00 -0.21 -3.72 105.19 111.48 1xw2 n GLY 297 Ca 0.01 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 1xw2 n GLY 297 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xw2 s ALA 298 N -0.75 3.48 0.46 4.61 0.00 -0.04 -4.29 121.76 125.24 1xw2 s ALA 298 Ca 0.00 0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.05 1xw2 s ALA 298 Cb 0.00 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 1xw2 s ALA 298 CO 0.00 -0.56 0.21 -0.65 0.00 0.00 0.00 175.76 174.77 1xw2 s GLN 299 N 1.92 2.23 0.28 0.00 -1.52 -1.26 -4.05 119.66 117.26 1xw2 s GLN 299 Ca 0.38 -1.97 0.01 0.00 -1.95 0.00 0.00 55.36 51.82 1xw2 s GLN 299 Cb -0.17 -1.95 0.58 0.00 -0.22 0.00 0.00 33.01 31.25 1xw2 s GLN 299 CO 0.13 -0.29 1.79 0.00 -0.25 0.00 0.00 175.29 176.67 1xw2 h ALA 300 N 1.23 1.43 -0.42 6.09 0.00 -2.00 -2.34 119.26 123.25 1xw2 h ALA 300 Ca -0.41 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 1xw2 h ALA 300 Cb 1.28 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1xw2 h ALA 300 CO 0.67 0.02 -0.15 0.11 0.00 0.00 0.00 179.25 179.90 1xw2 h TRP 301 N 0.77 0.86 -0.08 0.00 5.08 -1.99 -1.54 115.95 119.04 1xw2 h TRP 301 Ca 0.50 -0.17 0.02 0.00 1.08 0.00 0.00 58.89 60.31 1xw2 h TRP 301 Cb 0.65 -0.22 -0.02 0.00 -3.00 0.00 0.00 29.16 26.58 1xw2 h TRP 301 CO -0.04 0.87 -0.04 0.45 -1.28 0.00 0.00 178.44 178.40 1xw2 h HIS 302 N 0.69 -0.08 -0.43 0.12 3.86 -1.80 -0.72 115.15 116.79 1xw2 h HIS 302 Ca 0.11 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.29 1xw2 h HIS 302 Cb 0.64 0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 1xw2 h HIS 302 CO 0.03 -0.06 0.10 0.87 0.86 0.00 0.00 177.93 179.74 1xw2 h LYS 303 N -0.03 0.68 -0.46 2.45 1.57 -1.35 -2.15 116.57 117.29 1xw2 h LYS 303 Ca 0.05 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1xw2 h LYS 303 Cb 0.10 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1xw2 h LYS 303 CO -0.10 0.69 0.15 1.03 -0.57 0.00 0.00 179.45 180.65 1xw2 h SER 304 N 0.55 0.66 0.03 0.86 0.87 -1.20 0.62 113.55 115.94 1xw2 h SER 304 Ca 0.13 -0.20 0.02 0.00 -1.23 0.00 0.00 61.79 60.51 1xw2 h SER 304 Cb 0.32 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 1xw2 h SER 304 CO 0.00 0.69 -0.16 0.00 -0.53 0.00 0.00 176.83 176.83 1xw2 h ALA 305 N 1.00 -0.22 -0.11 6.23 0.00 -0.98 -1.70 119.26 123.48 1xw2 h ALA 305 Ca 0.15 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1xw2 h ALA 305 Cb 0.26 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1xw2 h ALA 305 CO -0.01 -0.67 -0.26 0.28 0.00 0.00 0.00 179.25 178.60 1xw2 h VAL 306 N -0.28 1.39 -0.67 0.00 2.07 -1.35 -2.30 116.25 115.10 1xw2 h VAL 306 Ca 0.04 -1.57 0.04 0.00 0.82 0.00 0.00 66.70 66.03 1xw2 h VAL 306 Cb 0.33 2.13 -0.05 0.00 -1.52 0.00 0.00 31.29 32.19 1xw2 h VAL 306 CO -0.13 0.46 0.40 0.78 0.02 0.00 0.00 177.57 179.10 1xw2 h ASN 307 N -0.07 0.63 -0.02 0.57 2.35 -0.85 -0.09 115.58 118.10 1xw2 h ASN 307 Ca -0.00 0.01 -0.20 0.00 -0.55 0.00 0.00 56.30 55.56 1xw2 h ASN 307 Cb 0.87 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.12 1xw2 h ASN 307 CO 0.06 0.43 -0.71 0.11 -1.65 0.00 0.00 177.43 175.67 1xw2 h LYS 308 N 0.77 0.66 -0.06 0.81 1.57 -1.36 -0.51 116.57 118.45 1xw2 h LYS 308 Ca 0.28 -0.51 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1xw2 h LYS 308 Cb 0.08 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1xw2 h LYS 308 CO -0.13 1.13 0.00 0.00 -0.57 0.00 0.00 179.45 179.87 1xw2 h ALA 309 N 0.74 0.08 -0.29 3.86 0.00 -1.11 -0.58 119.26 121.96 1xw2 h ALA 309 Ca -0.03 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1xw2 h ALA 309 Cb 1.31 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1xw2 h ALA 309 CO 0.14 -0.25 -0.15 -0.07 0.00 0.00 0.00 179.25 178.92 1xw2 h LEU 310 N -0.19 0.48 -0.51 0.00 3.38 -1.08 -1.86 115.31 115.55 1xw2 h LEU 310 Ca 0.02 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.90 1xw2 h LEU 310 Cb 0.33 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1xw2 h LEU 310 CO 0.00 0.66 0.25 1.23 0.09 0.00 0.00 178.44 180.67 1xw2 h GLY 311 N 0.94 0.71 0.91 0.83 0.00 -0.94 -0.88 103.07 104.63 1xw2 h GLY 311 Ca 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1xw2 h GLY 311 CO 0.03 0.10 0.10 -2.75 0.00 0.00 0.00 176.54 174.03 1xw2 h PHE 312 N 0.49 0.49 -0.76 5.60 3.57 -0.65 -2.20 116.94 123.47 1xw2 h PHE 312 Ca 0.22 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 1xw2 h PHE 312 Cb 0.14 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1xw2 h PHE 312 CO -0.11 0.49 0.37 -0.07 -2.23 0.00 0.00 178.31 176.76 1xw2 h LEU 313 N 0.34 0.97 -0.40 0.59 3.38 -1.05 0.29 115.31 119.44 1xw2 h LEU 313 Ca 0.10 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1xw2 h LEU 313 Cb 0.23 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1xw2 h LEU 313 CO -0.00 0.82 0.18 0.28 0.09 0.00 0.00 178.44 179.81 1xw2 h SER 314 N 1.07 0.52 -0.50 -0.43 0.02 -1.10 -0.98 113.55 112.16 1xw2 h SER 314 Ca 0.26 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1xw2 h SER 314 Cb 0.10 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1xw2 h SER 314 CO -0.03 0.52 0.32 0.22 -1.14 0.00 0.00 176.83 176.71 1xw2 h TYR 315 N 0.50 0.59 -0.71 3.45 3.20 -0.73 -2.74 116.97 120.53 1xw2 h TYR 315 Ca 0.13 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 1xw2 h TYR 315 Cb 0.14 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 1xw2 h TYR 315 CO -0.01 0.36 0.33 0.00 -1.64 0.00 0.00 178.16 177.20 1xw2 h ALA 316 N 1.20 1.25 -0.75 1.82 0.00 -0.13 -2.07 119.26 120.58 1xw2 h ALA 316 Ca 0.19 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xw2 h ALA 316 Cb -0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 1xw2 h ALA 316 CO -0.07 0.58 0.49 -0.22 0.00 0.00 0.00 179.25 180.03 1xw2 h LYS 317 N 1.01 0.96 0.00 0.00 3.64 -0.73 -2.37 116.57 119.08 1xw2 h LYS 317 Ca 0.25 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1xw2 h LYS 317 Cb 0.12 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1xw2 h LYS 317 CO -0.03 0.64 -0.12 1.79 -2.27 0.00 0.00 179.45 179.45 1xw2 h THR 318 N 0.99 0.48 -0.71 1.00 1.35 -1.09 -2.46 112.91 112.47 1xw2 h THR 318 Ca 0.28 -0.61 -0.35 0.00 -0.55 0.00 0.00 66.41 65.19 1xw2 h THR 318 Cb -0.08 1.42 -0.21 0.00 -1.73 0.00 0.00 68.15 67.55 1xw2 h THR 318 CO -0.08 0.12 0.33 0.59 -0.25 0.00 0.00 175.52 176.23 1xw2 n ASN 319 N -3.51 3.40 -4.25 5.36 3.02 -0.92 -4.93 115.26 113.42 1xw2 n ASN 319 Ca -0.01 -3.62 -0.32 0.00 -0.03 0.00 0.00 54.58 50.60 1xw2 n ASN 319 Cb 0.27 -0.75 -0.16 0.00 -0.61 0.00 0.00 39.78 38.53 1xw2 n ASN 319 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1xw2 s ASN 320 N -1.75 3.29 0.64 6.41 3.84 -0.93 -5.01 114.94 121.43 1xw2 s ASN 320 Ca 0.52 -0.51 0.40 0.00 0.21 0.00 0.00 52.86 53.48 1xw2 s ASN 320 Cb 0.44 -1.45 2.21 0.00 -0.55 0.00 0.00 41.25 41.90 1xw2 s ASN 320 CO 0.07 0.16 2.32 0.77 -2.79 0.00 0.00 177.10 177.63 1xw2 h SER 321 N 6.72 0.00 -0.30 -4.21 4.64 -1.91 -1.43 113.55 117.06 1xw2 h SER 321 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1xw2 h SER 321 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1xw2 h SER 321 CO 0.49 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.74 1xw2 n LYS 322 N -3.29 2.27 -3.86 4.77 5.02 -1.26 -4.96 118.16 116.84 1xw2 n LYS 322 Ca -0.03 -1.91 -0.27 0.00 -2.02 0.00 0.00 58.31 54.09 1xw2 n LYS 322 Cb 0.09 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.64 1xw2 n LYS 322 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1xw2 n ASN 323 N 1.14 -2.71 -3.98 4.39 5.15 -0.54 -5.00 115.26 113.70 1xw2 n ASN 323 Ca 0.18 -0.84 -0.08 0.00 -0.60 0.00 0.00 54.58 53.23 1xw2 n ASN 323 Cb 0.52 -3.75 -0.10 0.00 -0.53 0.00 0.00 39.78 35.92 1xw2 n ASN 323 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xw2 s TYR 325 N -3.01 3.41 0.51 0.00 1.13 0.48 -4.16 117.35 115.71 1xw2 s TYR 325 Ca -0.02 1.10 0.07 0.00 -1.41 0.00 0.00 57.07 56.81 1xw2 s TYR 325 Cb 0.01 -2.45 0.05 0.00 -1.10 0.00 0.00 41.96 38.46 1xw2 s TYR 325 CO -0.07 0.08 0.70 -1.21 -2.51 0.00 0.00 175.55 172.54 1xw2 s GLU 326 N -3.18 2.54 0.36 -3.49 2.02 -1.26 -1.07 118.70 114.61 1xw2 s GLU 326 Ca 0.52 -1.27 0.19 0.00 0.02 0.00 0.00 54.97 54.43 1xw2 s GLU 326 Cb -0.10 -2.65 0.21 0.00 0.10 0.00 0.00 34.13 31.69 1xw2 s GLU 326 CO 0.22 -0.61 1.53 1.96 0.02 0.00 0.00 175.26 178.37 1xw2 h GLN 327 N 0.32 0.00 -3.81 1.61 4.20 -1.35 -3.42 115.11 112.65 1xw2 h GLN 327 Ca -0.37 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 57.93 1xw2 h GLN 327 Cb 1.28 0.00 -0.36 0.00 0.30 0.00 0.00 27.48 28.71 1xw2 h GLN 327 CO 0.45 0.24 -0.76 0.08 -0.67 0.00 0.00 178.83 178.16 1xw2 s VAL 328 N -3.09 0.39 0.06 -0.54 1.01 -1.26 -4.43 120.40 112.55 1xw2 s VAL 328 Ca 0.06 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.14 1xw2 s VAL 328 Cb 0.06 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 1xw2 s VAL 328 CO 0.71 0.23 -0.20 -0.31 0.00 0.00 0.00 175.10 175.53 1xw2 s TYR 329 N 1.43 1.69 -0.04 5.22 1.51 -0.50 -1.89 117.35 124.78 1xw2 s TYR 329 Ca -0.03 -0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1xw2 s TYR 329 Cb -0.13 -0.98 0.03 0.00 -0.11 0.00 0.00 41.96 40.77 1xw2 s TYR 329 CO -0.03 0.12 0.01 0.45 -1.11 0.00 0.00 175.55 175.00 1xw2 s SER 330 N -1.43 0.93 -1.37 2.29 0.15 -0.35 -0.33 113.70 113.59 1xw2 s SER 330 Ca 0.06 -0.02 -0.09 0.00 0.70 0.00 0.00 55.95 56.60 1xw2 s SER 330 Cb -0.09 -0.27 0.06 0.00 -1.71 0.00 0.00 66.02 64.01 1xw2 s SER 330 CO 0.02 -0.16 0.56 -1.22 1.20 0.00 0.00 173.24 173.64 1xw2 n TYR 331 N 4.70 -1.87 -1.00 3.44 4.01 -1.26 -0.85 117.16 124.33 1xw2 n TYR 331 Ca -0.15 0.52 0.00 0.00 -0.16 0.00 0.00 57.90 58.10 1xw2 n TYR 331 Cb 0.50 -3.39 0.00 0.00 -0.31 0.00 0.00 39.34 36.14 1xw2 n TYR 331 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xw2 n GLY 332 N -1.30 0.79 3.57 2.72 0.00 -1.26 -4.77 105.19 104.94 1xw2 n GLY 332 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1xw2 n GLY 332 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xw2 s GLY 333 N -2.00 1.79 0.26 -0.02 0.00 -0.03 -5.08 107.32 102.25 1xw2 s GLY 333 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 44.72 43.62 1xw2 s GLY 333 CO 0.00 -0.14 1.45 0.00 0.00 0.00 0.00 173.10 174.41 1xw2 s ALA 334 N 0.12 3.63 -1.34 3.20 0.00 -1.26 -1.22 121.76 124.88 1xw2 s ALA 334 Ca 0.01 1.35 0.19 0.00 0.00 0.00 0.00 51.96 53.51 1xw2 s ALA 334 Cb -0.13 -3.56 0.66 0.00 0.00 0.00 0.00 23.12 20.08 1xw2 s ALA 334 CO 0.02 -0.77 1.56 1.04 0.00 0.00 0.00 175.76 177.62 1xw2 n GLN 335 N 2.20 3.32 -3.70 0.00 1.13 -0.79 -4.92 117.38 114.62 1xw2 n GLN 335 Ca 0.06 -2.75 -0.25 0.00 -1.94 0.00 0.00 57.00 52.13 1xw2 n GLN 335 Cb 0.40 -1.73 0.06 0.00 0.11 0.00 0.00 30.24 29.07 1xw2 n GLN 335 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1xw2 n ASN 336 N 1.18 -4.75 -1.33 1.08 5.15 -1.26 -4.90 115.26 110.42 1xw2 n ASN 336 Ca 0.24 -0.66 -0.02 0.00 -0.60 0.00 0.00 54.58 53.54 1xw2 n ASN 336 Cb 0.77 -4.54 0.24 0.00 -0.53 0.00 0.00 39.78 35.71 1xw2 n ASN 336 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1xw2 n ARG 337 N -4.72 2.58 0.00 1.20 5.12 -1.26 -5.05 116.66 114.53 1xw2 n ARG 337 Ca -0.05 -3.04 0.00 0.00 -1.93 0.00 0.00 57.85 52.83 1xw2 n ARG 337 Cb 0.57 -1.94 0.00 0.00 -1.16 0.00 0.00 32.46 29.94 1xw2 n ARG 337 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xw2 n GLY 338 N -0.75 1.82 3.74 -0.13 0.00 -1.26 -4.55 105.19 104.06 1xw2 n GLY 338 Ca 0.33 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 1xw2 n GLY 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xw2 n ALA 340 N -1.41 -0.93 -2.29 0.00 0.00 -0.23 -4.58 120.51 111.07 1xw2 n ALA 340 Ca 0.13 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1xw2 n ALA 340 Cb 0.46 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1xw2 n ALA 340 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xw2 n GLY 341 N 2.76 1.22 0.27 0.00 0.00 -1.26 -4.92 105.19 103.26 1xw2 n GLY 341 Ca 0.20 -2.00 -0.07 0.00 0.00 0.00 0.00 46.02 44.15 1xw2 n GLY 341 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xw2 h GLU 342 N 0.00 0.75 -0.37 1.61 3.07 -1.94 -2.40 114.58 115.29 1xw2 h GLU 342 Ca 0.00 -0.28 -0.03 0.00 -0.50 0.00 0.00 59.36 58.56 1xw2 h GLU 342 Cb 0.00 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 1xw2 h GLU 342 CO 0.00 0.88 0.13 0.78 -1.40 0.00 0.00 179.01 179.40 1xw2 h GLY 343 N 0.97 0.61 1.02 -3.84 0.00 -1.85 0.11 103.07 100.09 1xw2 h GLY 343 Ca 0.10 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 1xw2 h GLY 343 CO 0.05 0.33 0.04 -1.61 0.00 0.00 0.00 176.54 175.34 1xw2 h GLN 344 N 0.46 0.93 -0.49 4.80 4.15 -1.89 -0.16 115.11 122.90 1xw2 h GLN 344 Ca 0.12 -0.28 -0.06 0.00 0.77 0.00 0.00 58.65 59.20 1xw2 h GLN 344 Cb 0.22 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 1xw2 h GLN 344 CO -0.01 0.93 0.04 0.87 -1.93 0.00 0.00 178.83 178.73 1xw2 h LYS 345 N 0.81 0.79 -0.05 1.69 1.57 -1.28 -1.64 116.57 118.46 1xw2 h LYS 345 Ca 0.16 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1xw2 h LYS 345 Cb 0.48 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1xw2 h LYS 345 CO 0.02 0.77 0.02 0.00 -0.57 0.00 0.00 179.45 179.69 1xw2 h ALA 346 N 1.30 0.06 -0.84 3.86 0.00 -0.46 -1.31 119.26 121.86 1xw2 h ALA 346 Ca 0.15 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1xw2 h ALA 346 Cb 0.39 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1xw2 h ALA 346 CO 0.01 -0.37 0.53 0.00 0.00 0.00 0.00 179.25 179.43 1xw2 h ALA 347 N 0.87 1.11 0.00 0.00 0.00 -0.83 -2.19 119.26 118.21 1xw2 h ALA 347 Ca 0.02 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1xw2 h ALA 347 Cb 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1xw2 h ALA 347 CO -0.00 0.35 -0.47 -0.91 0.00 0.00 0.00 179.25 178.23 1xw2 h ASN 348 N 1.03 0.00 -0.52 0.00 2.35 -1.18 -2.46 115.58 114.80 1xw2 h ASN 348 Ca 0.34 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.00 1xw2 h ASN 348 Cb 0.03 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1xw2 h ASN 348 CO -0.12 0.47 -0.03 0.00 -1.65 0.00 0.00 177.43 176.09 1xw2 h ALA 349 N 1.53 0.71 -0.27 -0.83 0.00 -0.64 -3.03 119.26 116.74 1xw2 h ALA 349 Ca -0.00 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1xw2 h ALA 349 Cb 0.85 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1xw2 h ALA 349 CO 0.06 0.55 -0.18 0.28 0.00 0.00 0.00 179.25 179.96 1xw2 h VAL 350 N 0.81 1.24 -0.31 0.00 2.07 -1.22 -2.42 116.25 116.42 1xw2 h VAL 350 Ca 0.14 -1.11 0.09 0.00 0.82 0.00 0.00 66.70 66.64 1xw2 h VAL 350 Cb 0.57 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1xw2 h VAL 350 CO 0.03 0.36 0.27 0.00 0.02 0.00 0.00 177.57 178.25 1xw2 h ALA 351 N 1.38 2.12 0.00 1.67 0.00 -1.32 -2.06 119.26 121.05 1xw2 h ALA 351 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xw2 h ALA 351 Cb 0.56 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1xw2 h ALA 351 CO 0.04 -0.43 0.00 -0.07 0.00 0.00 0.00 179.25 178.79 1xw2 h LEU 352 N 0.00 0.00 -0.15 0.00 3.38 -1.43 -1.01 115.31 116.10 1xw2 h LEU 352 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1xw2 h LEU 352 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1xw2 h LEU 352 CO -0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 1xw2 n LEU 353 N -2.60 0.10 -0.16 1.67 4.77 -0.77 -1.72 117.00 118.28 1xw2 n LEU 353 Ca -0.02 0.53 0.02 0.00 -0.03 0.00 0.00 56.01 56.52 1xw2 n LEU 353 Cb 0.07 -0.53 0.01 0.00 -2.33 0.00 0.00 43.42 40.64 1xw2 n LEU 353 CO 0.15 -0.41 0.27 0.00 -1.33 0.00 0.00 177.39 176.07 1xw2 n ALA 354 N -1.54 2.50 -1.78 -1.18 0.00 -0.38 -4.47 120.51 113.66 1xw2 n ALA 354 Ca 0.02 -0.47 -0.37 0.00 0.00 0.00 0.00 53.44 52.62 1xw2 n ALA 354 Cb 0.11 -0.16 -0.04 0.00 0.00 0.00 0.00 19.45 19.36 1xw2 n ALA 354 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xw2 s SER 355 N -0.56 6.70 -0.09 0.00 0.15 -0.70 -3.90 113.70 115.30 1xw2 s SER 355 Ca 0.05 2.10 0.12 0.00 0.70 0.00 0.00 55.95 58.92 1xw2 s SER 355 Cb 0.04 -2.59 0.24 0.00 -1.71 0.00 0.00 66.02 62.00 1xw2 s SER 355 CO 0.08 -0.54 1.16 0.35 1.20 0.00 0.00 173.24 175.49 1xw2 n THR 356 N -0.05 1.60 -3.94 6.45 -2.24 -1.26 -4.68 114.28 110.15 1xw2 n THR 356 Ca 0.05 -1.70 -0.33 0.00 -2.27 0.00 0.00 64.05 59.79 1xw2 n THR 356 Cb 0.49 0.05 -0.14 0.00 -2.10 0.00 0.00 70.33 68.63 1xw2 n THR 356 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1xw2 s ASN 357 N -1.98 4.86 0.30 3.42 3.84 -1.26 -4.87 114.94 119.25 1xw2 s ASN 357 Ca 0.23 -1.75 -0.02 0.00 0.21 0.00 0.00 52.86 51.53 1xw2 s ASN 357 Cb 0.19 -1.69 0.43 0.00 -0.55 0.00 0.00 41.25 39.64 1xw2 s ASN 357 CO 0.04 -0.35 1.95 0.00 -2.79 0.00 0.00 177.10 175.95 1xw2 h ALA 358 N 7.85 1.38 -0.12 1.71 0.00 -1.94 0.10 119.26 128.25 1xw2 h ALA 358 Ca -0.14 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1xw2 h ALA 358 Cb 1.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1xw2 h ALA 358 CO 0.56 0.55 0.06 0.78 0.00 0.00 0.00 179.25 181.19 1xw2 h GLY 359 N 1.10 0.19 0.33 0.00 0.00 -1.99 -0.14 103.07 102.56 1xw2 h GLY 359 Ca 0.29 -0.09 0.06 0.00 0.00 0.00 0.00 47.33 47.58 1xw2 h GLY 359 CO -0.06 0.09 -0.14 1.46 0.00 0.00 0.00 176.54 177.89 1xw2 h GLN 360 N 0.07 -0.11 -0.42 4.80 4.20 -1.91 -2.32 115.11 119.43 1xw2 h GLN 360 Ca 0.04 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.77 1xw2 h GLN 360 Cb 0.12 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1xw2 h GLN 360 CO -0.01 -0.07 0.27 0.00 -0.67 0.00 0.00 178.83 178.35 1xw2 h ALA 361 N 1.08 0.53 -0.32 3.87 0.00 -0.78 -0.40 119.26 123.24 1xw2 h ALA 361 Ca 0.14 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1xw2 h ALA 361 Cb 0.32 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1xw2 h ALA 361 CO -0.32 -0.03 -0.00 -2.95 0.00 0.00 0.00 179.25 175.94 1xw2 h ASN 362 N 0.55 -0.14 0.44 0.00 7.08 -0.87 0.11 115.58 122.75 1xw2 h ASN 362 Ca 0.16 0.07 -0.02 0.00 -3.08 0.00 0.00 56.30 53.43 1xw2 h ASN 362 Cb -0.05 0.13 0.00 0.00 -2.08 0.00 0.00 38.32 36.33 1xw2 h ASN 362 CO -0.04 -0.03 -0.21 1.05 -2.08 0.00 0.00 177.43 176.11 1xw2 h GLU 363 N 0.09 -0.57 -0.47 4.14 4.11 -0.99 -1.94 114.58 118.95 1xw2 h GLU 363 Ca 0.15 0.04 -0.11 0.00 0.07 0.00 0.00 59.36 59.51 1xw2 h GLU 363 Cb 0.21 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1xw2 h GLU 363 CO -0.26 -0.29 -0.15 0.74 0.07 0.00 0.00 179.01 179.11 1xw2 h PHE 364 N -0.77 1.01 -0.28 2.06 0.04 -1.03 -2.18 116.94 115.78 1xw2 h PHE 364 Ca -0.06 -0.21 -0.11 0.00 2.80 0.00 0.00 57.97 60.38 1xw2 h PHE 364 Cb 0.54 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.43 1xw2 h PHE 364 CO -0.01 0.98 -0.27 0.35 -0.60 0.00 0.00 178.31 178.76 1xw2 h PHE 365 N 0.79 0.82 -0.41 -0.55 3.57 -0.84 -2.77 116.94 117.56 1xw2 h PHE 365 Ca 0.12 -0.24 -0.05 0.00 3.53 0.00 0.00 57.97 61.32 1xw2 h PHE 365 Cb 0.69 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1xw2 h PHE 365 CO 0.04 0.98 0.03 -0.91 -2.23 0.00 0.00 178.31 176.22 1xw2 h ASN 366 N 0.42 0.59 -0.06 0.41 2.35 -1.28 0.17 115.58 118.19 1xw2 h ASN 366 Ca 0.05 -0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 1xw2 h ASN 366 Cb 0.84 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 1xw2 h ASN 366 CO 0.07 0.64 -0.11 -0.33 -1.65 0.00 0.00 177.43 176.05 1xw2 h GLU 367 N 0.60 0.35 0.02 0.81 5.08 -1.35 -0.96 114.58 119.14 1xw2 h GLU 367 Ca 0.13 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1xw2 h GLU 367 Cb 0.33 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.55 1xw2 h GLU 367 CO 0.01 0.48 -0.26 0.35 -1.00 0.00 0.00 179.01 178.59 1xw2 h PHE 368 N 0.33 0.22 0.00 4.33 3.57 -1.11 -3.36 116.94 120.93 1xw2 h PHE 368 Ca 0.07 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.39 1xw2 h PHE 368 Cb 0.41 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1xw2 h PHE 368 CO 0.01 1.00 -0.19 2.35 -2.23 0.00 0.00 178.31 179.25 1xw2 h TRP 369 N -0.62 0.00 0.00 0.41 2.91 -0.54 -2.46 115.95 115.65 1xw2 h TRP 369 Ca -0.04 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.98 1xw2 h TRP 369 Cb 1.08 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.73 1xw2 h TRP 369 CO 0.21 0.19 0.00 -1.13 -1.03 0.00 0.00 178.44 176.67 1xw2 n SER 370 N -3.83 0.49 -4.77 2.65 3.41 -0.38 -4.88 113.62 106.31 1xw2 n SER 370 Ca -0.02 0.55 -0.37 0.00 -0.26 0.00 0.00 58.87 58.77 1xw2 n SER 370 Cb 0.29 -0.68 -0.02 0.00 -0.26 0.00 0.00 64.21 63.54 1xw2 n SER 370 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xw2 s LEU 371 N -3.94 4.07 0.44 1.04 1.43 -0.93 -5.04 118.68 115.76 1xw2 s LEU 371 Ca 0.11 2.29 -0.20 0.00 -1.03 0.00 0.00 54.13 55.30 1xw2 s LEU 371 Cb 0.14 -4.18 -0.10 0.00 0.03 0.00 0.00 46.19 42.08 1xw2 s LEU 371 CO 0.54 -0.81 0.96 -0.94 0.23 0.00 0.00 176.35 176.33 1xw2 s SER 372 N -1.32 6.87 0.26 2.29 1.04 -1.26 -5.02 113.70 116.56 1xw2 s SER 372 Ca 0.61 1.69 -0.31 0.00 0.48 0.00 0.00 55.95 58.43 1xw2 s SER 372 Cb -0.28 -2.54 -0.13 0.00 0.10 0.00 0.00 66.02 63.17 1xw2 s SER 372 CO 0.35 -0.41 1.45 1.67 0.98 0.00 0.00 173.24 177.28 1xw2 n GLN 373 N -0.77 2.21 -1.64 4.02 7.27 -1.26 -4.88 117.38 122.34 1xw2 n GLN 373 Ca 0.07 0.79 -0.45 0.00 0.07 0.00 0.00 57.00 57.47 1xw2 n GLN 373 Cb 0.54 -2.47 -0.03 0.00 2.41 0.00 0.00 30.24 30.69 1xw2 n GLN 373 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 1xw2 n PRO 374 N 2.00 1.72 -4.45 3.69 -0.02 -1.26 -4.97 135.00 131.72 1xw2 n PRO 374 Ca 0.10 0.61 -0.23 0.00 -2.02 0.00 0.00 63.50 61.96 1xw2 n PRO 374 Cb 0.33 -2.18 -0.08 0.00 -0.02 0.00 0.00 33.50 31.55 1xw2 n PRO 374 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1xw2 s THR 375 N -0.35 0.49 0.00 3.45 -4.23 -1.26 -4.41 115.64 109.32 1xw2 s THR 375 Ca 0.67 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 1xw2 s THR 375 Cb -0.70 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 70.72 1xw2 s THR 375 CO 0.53 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.22 1xw2 n GLY 376 N -0.80 -1.91 0.24 3.99 0.00 -1.25 -4.25 105.19 101.21 1xw2 n GLY 376 Ca -0.03 -1.42 0.16 0.00 0.00 0.00 0.00 46.02 44.73 1xw2 n GLY 376 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xw2 h ASP 377 N 0.00 0.00 -0.40 1.61 3.32 -1.96 -2.95 116.42 116.04 1xw2 h ASP 377 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xw2 h ASP 377 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1xw2 h ASP 377 CO 0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 1xw2 n TYR 378 N -2.89 1.13 0.64 4.55 4.01 -1.26 -4.47 117.16 118.86 1xw2 n TYR 378 Ca 0.01 -0.73 0.12 0.00 -0.16 0.00 0.00 57.90 57.14 1xw2 n TYR 378 Cb 0.31 -0.28 0.46 0.00 -0.31 0.00 0.00 39.34 39.53 1xw2 n TYR 378 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 1xw2 n ARG 379 N 0.16 0.17 0.40 -0.72 1.85 -1.12 -3.33 116.66 114.07 1xw2 n ARG 379 Ca 0.21 0.22 -0.18 0.00 -1.00 0.00 0.00 57.85 57.10 1xw2 n ARG 379 Cb 0.85 -1.73 -0.09 0.00 -1.05 0.00 0.00 32.46 30.44 1xw2 n ARG 379 CO 0.00 0.00 0.00 -0.92 -0.01 0.00 0.00 177.63 176.70 1xw2 h TYR 380 N 0.00 -0.95 0.07 2.89 3.20 -1.84 0.48 116.97 120.81 1xw2 h TYR 380 Ca 0.00 -0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.70 1xw2 h TYR 380 Cb 0.55 0.32 0.02 0.00 1.54 0.00 0.00 36.73 39.16 1xw2 h TYR 380 CO 0.00 -0.58 -0.61 -0.92 -1.64 0.00 0.00 178.16 174.40 1xw2 h TYR 381 N -1.00 0.49 -0.52 -3.82 3.20 -1.93 -1.61 116.97 111.77 1xw2 h TYR 381 Ca -0.10 -0.31 0.03 0.00 3.14 0.00 0.00 58.73 61.48 1xw2 h TYR 381 Cb 0.78 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.97 1xw2 h TYR 381 CO -0.04 1.19 0.31 -0.91 -1.64 0.00 0.00 178.16 177.08 1xw2 h ASN 382 N -0.35 0.50 -0.04 -2.11 -0.26 -1.64 -2.27 115.58 109.42 1xw2 h ASN 382 Ca -0.10 0.01 -0.19 0.00 -0.56 0.00 0.00 56.30 55.46 1xw2 h ASN 382 Cb 1.41 -0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 38.57 1xw2 h ASN 382 CO 0.12 0.35 -0.65 1.23 -1.06 0.00 0.00 177.43 177.42 1xw2 h GLY 383 N 0.62 0.72 0.94 2.83 0.00 -0.11 -0.79 103.07 107.28 1xw2 h GLY 383 Ca 0.21 -0.92 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 1xw2 h GLY 383 CO -0.10 0.82 0.15 1.76 0.00 0.00 0.00 176.54 179.17 1xw2 h SER 384 N 0.48 0.40 -0.13 0.19 0.02 -1.21 -1.24 113.55 112.05 1xw2 h SER 384 Ca -0.01 -0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.69 1xw2 h SER 384 Cb 1.23 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1xw2 h SER 384 CO 0.13 0.41 -0.33 -0.07 -1.14 0.00 0.00 176.83 175.82 1xw2 h LEU 385 N 0.36 0.65 -0.51 5.07 3.38 -1.40 -2.54 115.31 120.32 1xw2 h LEU 385 Ca 0.11 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1xw2 h LEU 385 Cb 0.12 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1xw2 h LEU 385 CO -0.01 0.94 0.31 0.22 0.09 0.00 0.00 178.44 179.98 1xw2 h TYR 386 N 0.53 0.58 0.15 1.13 5.03 -0.96 -0.05 116.97 123.38 1xw2 h TYR 386 Ca 0.06 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.38 1xw2 h TYR 386 Cb 0.83 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.92 1xw2 h TYR 386 CO 0.04 0.34 -0.07 1.98 -1.32 0.00 0.00 178.16 179.13 1xw2 h MET 387 N 0.62 -0.19 -0.57 1.82 4.05 -1.11 -0.64 114.93 118.92 1xw2 h MET 387 Ca 0.20 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.69 1xw2 h MET 387 Cb -0.00 0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.79 1xw2 h MET 387 CO -0.08 -0.10 0.29 -0.07 0.23 0.00 0.00 176.91 177.18 1xw2 h LEU 388 N -0.23 0.40 -0.68 3.39 3.38 -1.28 -2.59 115.31 117.71 1xw2 h LEU 388 Ca -0.02 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xw2 h LEU 388 Cb 0.18 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1xw2 h LEU 388 CO 0.03 0.27 0.40 0.00 0.09 0.00 0.00 178.44 179.23 1xw2 h ALA 389 N 1.31 0.86 -0.91 1.53 0.00 -0.81 -1.19 119.26 120.05 1xw2 h ALA 389 Ca 0.26 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1xw2 h ALA 389 Cb 0.18 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1xw2 h ALA 389 CO -0.18 0.35 0.59 0.52 0.00 0.00 0.00 179.25 180.52 1xw2 h MET 390 N 0.92 0.98 -0.25 0.00 2.86 -0.75 -0.28 114.93 118.41 1xw2 h MET 390 Ca 0.24 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.76 1xw2 h MET 390 Cb -0.01 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 1xw2 h MET 390 CO -0.04 0.65 -0.10 -0.07 1.06 0.00 0.00 176.91 178.40 1xw2 h LEU 391 N 1.01 0.52 -1.20 1.22 3.38 -1.09 -3.14 115.31 116.02 1xw2 h LEU 391 Ca 0.40 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1xw2 h LEU 391 Cb 0.24 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1xw2 h LEU 391 CO -0.16 0.80 -0.05 0.45 0.09 0.00 0.00 178.44 179.57 1xw2 h HIS 392 N 0.24 0.52 -0.03 1.13 3.86 -0.27 -1.50 115.15 119.09 1xw2 h HIS 392 Ca 0.06 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xw2 h HIS 392 Cb 0.59 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.91 1xw2 h HIS 392 CO 0.06 0.54 0.00 1.33 0.86 0.00 0.00 177.93 180.72 1xw2 n VAL 393 N -4.26 0.01 -0.04 2.45 0.24 -0.21 -3.94 118.33 112.59 1xw2 n VAL 393 Ca 0.01 -0.37 0.02 0.00 -2.04 0.00 0.00 64.34 61.96 1xw2 n VAL 393 Cb 0.27 0.94 0.06 0.00 -1.47 0.00 0.00 33.84 33.64 1xw2 n VAL 393 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1xw2 n SER 394 N 0.71 2.28 -0.66 -1.34 3.41 -1.15 -0.56 113.62 116.31 1xw2 n SER 394 Ca 0.17 -1.90 -0.08 0.00 -0.26 0.00 0.00 58.87 56.79 1xw2 n SER 394 Cb 0.46 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 1xw2 n SER 394 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xw2 n GLY 395 N -0.03 0.94 0.29 5.00 0.00 -1.19 -4.82 105.19 105.38 1xw2 n GLY 395 Ca 0.05 -0.66 0.11 0.00 0.00 0.00 0.00 46.02 45.52 1xw2 n GLY 395 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xw2 n ASN 396 N 0.64 1.60 -4.39 1.61 4.13 -0.58 -4.78 115.26 113.49 1xw2 n ASN 396 Ca -0.08 -1.30 -0.44 0.00 1.68 0.00 0.00 54.58 54.43 1xw2 n ASN 396 Cb 0.30 0.69 -0.04 0.00 -1.54 0.00 0.00 39.78 39.19 1xw2 n ASN 396 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1xw2 s PHE 397 N -2.70 2.99 0.21 3.10 2.19 -1.09 -4.82 117.98 117.86 1xw2 s PHE 397 Ca 0.14 -0.99 0.10 0.00 0.33 0.00 0.00 56.93 56.51 1xw2 s PHE 397 Cb 0.17 -4.07 -0.05 0.00 -1.31 0.00 0.00 43.02 37.77 1xw2 s PHE 397 CO 0.70 -1.35 -0.19 0.15 1.83 0.00 0.00 175.22 176.36 1xw2 s LYS 398 N 2.77 1.43 -0.28 10.12 1.02 -1.26 -4.98 119.74 128.56 1xw2 s LYS 398 Ca 0.15 -1.56 -0.13 0.00 0.02 0.00 0.00 55.97 54.45 1xw2 s LYS 398 Cb -0.21 -1.49 -0.04 0.00 -0.52 0.00 0.00 37.83 35.57 1xw2 s LYS 398 CO 0.05 0.29 0.30 -0.06 -0.92 0.00 0.00 175.35 175.01 1xw2 s PHE 399 N -2.28 3.23 -0.42 3.18 0.40 -1.26 -5.02 117.98 115.81 1xw2 s PHE 399 Ca 0.22 0.25 -0.12 0.00 -0.60 0.00 0.00 56.93 56.67 1xw2 s PHE 399 Cb -0.05 -2.50 0.06 0.00 0.51 0.00 0.00 43.02 41.03 1xw2 s PHE 399 CO 0.09 -0.22 0.29 0.71 0.70 0.00 0.00 175.22 176.79 1xw2 s TYR 400 N 1.94 3.27 0.33 0.36 1.51 -1.26 -5.05 117.35 118.44 1xw2 s TYR 400 Ca 0.11 -1.07 -0.27 0.00 -1.01 0.00 0.00 57.07 54.83 1xw2 s TYR 400 Cb -0.16 -2.83 -0.09 0.00 -0.11 0.00 0.00 41.96 38.77 1xw2 s TYR 400 CO 0.10 -0.75 1.06 -0.80 -1.11 0.00 0.00 175.55 174.06 1xw2 s ASN 401 N 2.05 7.10 0.53 2.29 0.01 -1.26 -4.55 114.94 121.11 1xw2 s ASN 401 Ca 0.03 2.13 -0.17 0.00 -0.71 0.00 0.00 52.86 54.14 1xw2 s ASN 401 Cb -0.22 -2.61 -0.07 0.00 0.41 0.00 0.00 41.25 38.77 1xw2 s ASN 401 CO 0.06 -0.25 1.02 0.20 -1.51 0.00 0.00 177.10 176.61 1xw2 s ASN 402 N -1.21 6.30 -0.12 -1.22 -0.87 -1.26 -4.81 114.94 111.75 1xw2 s ASN 402 Ca 0.50 1.72 -0.05 0.00 -1.57 0.00 0.00 52.86 53.46 1xw2 s ASN 402 Cb -0.27 -2.53 -0.04 0.00 -0.02 0.00 0.00 41.25 38.40 1xw2 s ASN 402 CO 0.34 -0.81 0.06 0.42 -2.57 0.00 0.00 177.10 174.55 1xw2 s THR 403 N -2.43 4.85 0.00 1.60 -4.23 -1.26 -5.01 115.64 109.16 1xw2 s THR 403 Ca 0.62 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 1xw2 s THR 403 Cb -0.13 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.61 1xw2 s THR 403 CO 0.30 0.58 0.34 0.49 -0.54 0.00 0.00 174.62 175.78