#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x19 s SER -10 N 0.00 -0.48 0.02 0.41 1.04 -1.26 -4.84 113.70 108.59 1x19 s SER -10 Ca 0.00 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.35 1x19 s SER -10 Cb 0.00 0.95 0.00 0.00 0.10 0.00 0.00 66.02 67.07 1x19 s SER -10 CO 0.00 -0.16 0.00 -1.54 0.98 0.00 0.00 173.24 172.52 1x19 n SER -9 N 2.38 -0.00 -3.73 7.02 3.41 -1.26 0.89 113.62 122.33 1x19 n SER -9 Ca -0.13 0.04 -0.40 0.00 -0.26 0.00 0.00 58.87 58.12 1x19 n SER -9 Cb 0.56 0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.44 1x19 n SER -9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x19 n GLY -8 N 1.67 1.06 0.00 5.00 0.00 -1.26 -4.50 105.19 107.17 1x19 n GLY -8 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1x19 n GLY -8 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1x19 n LEU -7 N 10.11 0.00 -4.90 0.99 -0.00 -1.26 -5.01 117.00 116.93 1x19 n LEU -7 Ca 0.47 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 56.17 1x19 n LEU -7 Cb 0.42 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.80 1x19 n LEU -7 CO 1.05 0.00 -0.16 0.68 -0.00 0.00 0.00 177.39 178.96 1x19 s VAL -6 N 0.00 5.32 0.06 1.47 -7.23 -0.67 -4.90 120.40 114.45 1x19 s VAL -6 Ca 0.00 -0.37 -0.21 0.00 -1.81 0.00 0.00 61.98 59.59 1x19 s VAL -6 Cb 0.00 -3.57 -0.06 0.00 0.56 0.00 0.00 36.38 33.31 1x19 s VAL -6 CO 0.00 0.18 0.63 -2.16 -0.31 0.00 0.00 175.10 173.45 1x19 s PRO -5 N -2.37 4.33 -0.42 4.82 0.04 -1.26 -1.28 135.00 138.88 1x19 s PRO -5 Ca 0.33 0.84 0.03 0.00 0.04 0.00 0.00 61.00 62.24 1x19 s PRO -5 Cb -0.13 -3.29 0.12 0.00 0.04 0.00 0.00 34.50 31.24 1x19 s PRO -5 CO 0.25 0.49 0.17 0.50 0.04 0.00 0.00 177.00 178.46 1x19 s ARG -4 N -0.66 1.44 7.99 4.56 3.52 0.23 -4.94 118.95 131.09 1x19 s ARG -4 Ca 0.32 -1.99 0.00 0.00 -0.13 0.00 0.00 55.73 53.92 1x19 s ARG -4 Cb -0.20 -2.78 0.00 0.00 -1.56 0.00 0.00 34.95 30.41 1x19 s ARG -4 CO 0.20 -1.06 0.00 0.41 -0.81 0.00 0.00 175.30 174.04 1x19 n GLY -3 N 3.82 4.09 0.81 8.12 0.00 -1.26 -1.15 105.19 119.61 1x19 n GLY -3 Ca 0.05 0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.19 1x19 n GLY -3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x19 n SER -2 N 7.57 2.34 -4.80 1.61 7.64 -1.26 -4.89 113.62 121.83 1x19 n SER -2 Ca 0.00 -2.03 -0.31 0.00 1.01 0.00 0.00 58.87 57.54 1x19 n SER -2 Cb 0.00 -0.30 -0.06 0.00 -1.01 0.00 0.00 64.21 62.84 1x19 n SER -2 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1x19 s HIS -1 N -1.47 1.83 0.13 1.43 4.02 -0.30 -5.16 115.29 115.76 1x19 s HIS -1 Ca 0.28 -0.91 0.06 0.00 1.02 0.00 0.00 55.06 55.51 1x19 s HIS -1 Cb 0.15 -1.71 -0.04 0.00 -1.02 0.00 0.00 32.58 29.96 1x19 s HIS -1 CO 0.19 0.04 -0.13 -1.64 1.02 0.00 0.00 174.74 174.21 1x19 s MET 0 N -3.99 1.02 0.04 1.40 1.00 -1.26 -0.60 119.30 116.91 1x19 s MET 0 Ca 0.15 -1.27 -0.05 0.00 0.00 0.00 0.00 55.69 54.52 1x19 s MET 0 Cb 0.01 -0.84 0.02 0.00 0.00 0.00 0.00 34.83 34.01 1x19 s MET 0 CO 0.09 0.15 0.25 0.00 0.00 0.00 0.00 175.02 175.52 1x19 n MET 1 N 0.41 0.14 0.00 2.03 3.85 -0.40 -4.87 117.12 118.28 1x19 n MET 1 Ca -0.15 -0.33 0.00 0.00 -1.00 0.00 0.00 57.70 56.23 1x19 n MET 1 Cb 0.58 0.45 0.00 0.00 -1.05 0.00 0.00 33.22 33.20 1x19 n MET 1 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1x19 n SER 2 N -0.69 0.00 0.00 3.17 7.64 -1.26 -1.66 113.62 120.82 1x19 n SER 2 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1x19 n SER 2 Cb 0.14 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 1x19 n SER 2 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1x19 n ASN 3 N 0.00 0.00 0.00 6.43 4.13 -1.26 -3.99 115.26 120.56 1x19 n ASN 3 Ca 0.00 0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.37 1x19 n ASN 3 Cb 0.00 -0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.10 1x19 n ASN 3 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1x19 n ASN 4 N -1.15 0.00 0.34 6.41 5.03 -1.23 -4.44 115.26 120.23 1x19 n ASN 4 Ca 0.00 0.00 -0.18 0.00 0.87 0.00 0.00 54.58 55.27 1x19 n ASN 4 Cb 0.00 -0.04 -0.09 0.00 -1.02 0.00 0.00 39.78 38.63 1x19 n ASN 4 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 1x19 h ASP 5 N 0.00 -1.07 0.31 6.41 3.45 0.13 -0.23 116.42 125.42 1x19 h ASP 5 Ca 0.00 0.07 -0.05 0.00 0.43 0.00 0.00 57.03 57.47 1x19 h ASP 5 Cb 0.00 0.32 -0.01 0.00 -0.56 0.00 0.00 39.33 39.09 1x19 h ASP 5 CO 0.00 -0.63 -0.26 -0.07 -1.57 0.00 0.00 179.24 176.72 1x19 h LEU 6 N -0.98 0.00 -1.50 1.55 3.38 -1.66 -0.08 115.31 116.02 1x19 h LEU 6 Ca -0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1x19 h LEU 6 Cb 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1x19 h LEU 6 CO 0.05 0.26 -0.21 0.25 0.09 0.00 0.00 178.44 178.87 1x19 h LEU 7 N 0.00 0.00 0.00 1.67 5.85 -1.64 -1.15 115.31 120.04 1x19 h LEU 7 Ca -0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1x19 h LEU 7 Cb 0.48 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1x19 h LEU 7 CO 0.03 0.21 -0.57 0.78 -0.34 0.00 0.00 178.44 178.56 1x19 h ASN 8 N 0.00 0.00 -0.22 1.25 2.35 0.78 -2.33 115.58 117.41 1x19 h ASN 8 Ca -0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 1x19 h ASN 8 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1x19 h ASN 8 CO 0.03 0.28 -0.41 1.88 -1.65 0.00 0.00 177.43 177.56 1x19 h TYR 9 N 0.00 0.84 -0.70 1.19 0.99 -0.62 -0.82 116.97 117.85 1x19 h TYR 9 Ca -0.03 -0.30 0.07 0.00 2.00 0.00 0.00 58.73 60.48 1x19 h TYR 9 Cb 1.24 -0.16 -0.06 0.00 1.00 0.00 0.00 36.73 38.75 1x19 h TYR 9 CO 0.00 1.06 0.38 -0.92 -0.00 0.00 0.00 178.16 178.69 1x19 h TYR 10 N 0.37 0.70 -0.06 4.88 3.20 -1.21 0.27 116.97 125.12 1x19 h TYR 10 Ca 0.01 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1x19 h TYR 10 Cb 1.01 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.06 1x19 h TYR 10 CO 0.09 0.31 -0.05 0.45 -1.64 0.00 0.00 178.16 177.32 1x19 h HIS 11 N 0.69 0.17 -0.17 -3.82 3.86 -1.25 -1.16 115.15 113.47 1x19 h HIS 11 Ca 0.32 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.48 1x19 h HIS 11 Cb 0.24 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1x19 h HIS 11 CO -0.08 0.56 0.08 -0.09 0.86 0.00 0.00 177.93 179.25 1x19 h ARG 12 N -0.26 0.24 -0.71 2.45 9.65 -0.83 -0.38 114.38 124.54 1x19 h ARG 12 Ca 0.01 -0.04 0.06 0.00 -1.10 0.00 0.00 59.98 58.92 1x19 h ARG 12 Cb 0.52 -0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 29.00 1x19 h ARG 12 CO 0.01 0.29 0.40 0.00 2.80 0.00 0.00 179.97 183.48 1x19 h ALA 13 N 0.94 0.96 -0.25 2.80 0.00 -0.96 -1.63 119.26 121.12 1x19 h ALA 13 Ca 0.06 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1x19 h ALA 13 Cb 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1x19 h ALA 13 CO -0.01 0.09 -0.24 -0.91 0.00 0.00 0.00 179.25 178.18 1x19 h ASN 14 N 0.74 0.46 -0.44 0.00 2.35 -0.98 -1.68 115.58 116.03 1x19 h ASN 14 Ca 0.32 -0.15 -0.09 0.00 -0.55 0.00 0.00 56.30 55.83 1x19 h ASN 14 Cb 0.20 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1x19 h ASN 14 CO -0.19 0.70 -0.07 -0.08 -1.65 0.00 0.00 177.43 176.15 1x19 h GLU 15 N 0.41 0.82 -0.69 0.81 4.81 -0.21 0.94 114.58 121.47 1x19 h GLU 15 Ca 0.06 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 1x19 h GLU 15 Cb 0.64 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 1x19 h GLU 15 CO 0.05 0.92 0.36 -0.07 -0.73 0.00 0.00 179.01 179.53 1x19 h LEU 16 N 0.66 0.89 0.01 1.64 4.07 -1.02 -2.08 115.31 119.47 1x19 h LEU 16 Ca 0.12 -0.11 -0.34 0.00 0.08 0.00 0.00 57.88 57.62 1x19 h LEU 16 Cb 0.59 -0.23 -0.06 0.00 1.08 0.00 0.00 40.66 42.04 1x19 h LEU 16 CO 0.04 0.75 -2.11 0.52 -1.08 0.00 0.00 178.44 176.56 1x19 n VAL 17 N -4.47 1.50 -0.03 1.22 0.31 -0.66 -4.55 118.33 111.66 1x19 n VAL 17 Ca 0.06 -0.81 -0.04 0.00 -0.01 0.00 0.00 64.34 63.54 1x19 n VAL 17 Cb 0.11 -0.81 -0.01 0.00 -0.91 0.00 0.00 33.84 32.22 1x19 n VAL 17 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1x19 n PHE 18 N -2.93 0.00 0.01 3.52 3.01 0.31 -4.63 117.46 116.74 1x19 n PHE 18 Ca -0.27 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.09 1x19 n PHE 18 Cb 1.10 -0.22 -0.03 0.00 -0.01 0.00 0.00 39.48 40.32 1x19 n PHE 18 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1x19 h LYS 19 N -0.43 -0.15 -0.23 -1.08 3.64 -1.47 0.72 116.57 117.57 1x19 h LYS 19 Ca 0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1x19 h LYS 19 Cb 0.43 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1x19 h LYS 19 CO 0.00 -0.10 0.14 0.78 -2.27 0.00 0.00 179.45 178.00 1x19 h GLY 20 N -0.16 0.33 0.98 5.01 0.00 -1.62 0.14 103.07 107.75 1x19 h GLY 20 Ca 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1x19 h GLY 20 CO -0.20 0.13 -0.19 -2.00 0.00 0.00 0.00 176.54 174.28 1x19 h LEU 21 N 0.28 -0.46 -0.74 3.11 5.85 -1.75 -1.07 115.31 120.52 1x19 h LEU 21 Ca 0.08 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 1x19 h LEU 21 Cb 0.02 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1x19 h LEU 21 CO -0.02 -0.32 -0.13 0.40 -0.34 0.00 0.00 178.44 178.03 1x19 h ILE 22 N -0.53 1.26 -0.23 4.05 5.03 -0.77 0.14 117.51 126.47 1x19 h ILE 22 Ca -0.05 -1.22 -0.06 0.00 -0.12 0.00 0.00 64.86 63.41 1x19 h ILE 22 Cb 0.41 1.06 -0.01 0.00 -3.03 0.00 0.00 36.82 35.26 1x19 h ILE 22 CO 0.08 0.42 -0.09 -0.33 -0.68 0.00 0.00 178.15 177.55 1x19 h GLU 23 N 0.74 0.47 -0.44 2.37 5.08 -0.74 -0.37 114.58 121.69 1x19 h GLU 23 Ca 0.12 -0.19 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 1x19 h GLU 23 Cb 0.63 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1x19 h GLU 23 CO 0.04 0.72 -0.21 0.35 -1.00 0.00 0.00 179.01 178.91 1x19 h PHE 24 N 0.19 1.00 -0.77 4.33 3.04 -0.90 -2.16 116.94 121.66 1x19 h PHE 24 Ca 0.05 -0.23 0.01 0.00 3.98 0.00 0.00 57.97 61.78 1x19 h PHE 24 Cb 0.57 -0.24 -0.04 0.00 2.56 0.00 0.00 35.95 38.80 1x19 h PHE 24 CO 0.06 1.00 0.50 0.77 -2.02 0.00 0.00 178.31 178.63 1x19 h SER 25 N 0.77 0.89 -0.02 0.41 0.02 -0.54 0.21 113.55 115.29 1x19 h SER 25 Ca 0.10 -0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 60.86 1x19 h SER 25 Cb 0.75 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1x19 h SER 25 CO 0.06 0.65 -0.55 0.00 -1.14 0.00 0.00 176.83 175.85 1x19 h MET 27 N 0.47 0.86 -0.61 0.00 2.86 -0.71 -1.25 114.93 116.55 1x19 h MET 27 Ca 0.01 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 1x19 h MET 27 Cb 1.10 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 1x19 h MET 27 CO 0.11 1.00 0.39 -0.22 1.06 0.00 0.00 176.91 179.25 1x19 h LYS 28 N 0.68 0.81 -0.33 1.72 3.64 -0.49 -1.65 116.57 120.95 1x19 h LYS 28 Ca 0.10 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 1x19 h LYS 28 Cb 0.73 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1x19 h LYS 28 CO 0.06 0.56 -0.01 0.00 -2.27 0.00 0.00 179.45 177.78 1x19 h ALA 29 N 1.21 0.44 -0.51 5.00 0.00 -1.00 -1.64 119.26 122.77 1x19 h ALA 29 Ca 0.22 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1x19 h ALA 29 Cb -0.07 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1x19 h ALA 29 CO -0.05 0.22 0.23 0.00 0.00 0.00 0.00 179.25 179.65 1x19 h ALA 30 N 0.84 0.64 -0.29 0.00 0.00 -0.96 -0.31 119.26 119.17 1x19 h ALA 30 Ca 0.09 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1x19 h ALA 30 Cb 0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1x19 h ALA 30 CO 0.02 -0.14 0.15 0.82 0.00 0.00 0.00 179.25 180.10 1x19 h ILE 31 N 0.45 1.15 0.00 0.00 1.08 -1.16 0.28 117.51 119.30 1x19 h ILE 31 Ca 0.23 -0.41 -0.04 0.00 -0.39 0.00 0.00 64.86 64.25 1x19 h ILE 31 Cb 0.18 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 1x19 h ILE 31 CO -0.19 0.15 -0.18 -0.33 -0.69 0.00 0.00 178.15 176.91 1x19 h GLU 32 N 0.34 0.00 -0.00 2.37 5.08 -0.96 -0.70 114.58 120.71 1x19 h GLU 32 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1x19 h GLU 32 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1x19 h GLU 32 CO -0.01 0.18 -0.23 1.28 -1.00 0.00 0.00 179.01 179.22 1x19 n LEU 33 N -3.96 0.56 -1.40 1.33 4.32 -0.16 -4.88 117.00 112.80 1x19 n LEU 33 Ca -0.02 -0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.80 1x19 n LEU 33 Cb 0.27 -0.22 -0.06 0.00 -1.62 0.00 0.00 43.42 41.79 1x19 n LEU 33 CO 0.34 0.11 -0.17 0.47 -1.22 0.00 0.00 177.39 176.92 1x19 n ASP 34 N -1.09 -4.96 -0.31 -1.43 9.92 -0.27 -4.78 116.55 113.63 1x19 n ASP 34 Ca 0.11 0.31 0.00 0.00 -0.53 0.00 0.00 54.79 54.68 1x19 n ASP 34 Cb 0.32 -3.94 0.14 0.00 -0.64 0.00 0.00 41.12 36.99 1x19 n ASP 34 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1x19 h LEU 35 N 0.00 0.86 -0.53 0.64 5.85 -0.77 -2.71 115.31 118.66 1x19 h LEU 35 Ca -0.35 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.29 1x19 h LEU 35 Cb 1.12 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1x19 h LEU 35 CO 0.49 0.55 -0.02 -0.26 -0.34 0.00 0.00 178.44 178.86 1x19 h PHE 36 N 0.99 1.04 -0.86 1.25 0.04 -1.88 -1.46 116.94 116.05 1x19 h PHE 36 Ca 0.37 -0.19 0.05 0.00 2.80 0.00 0.00 57.97 61.00 1x19 h PHE 36 Cb 0.14 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 37.97 1x19 h PHE 36 CO -0.03 0.96 0.56 1.03 -0.60 0.00 0.00 178.31 180.23 1x19 h SER 37 N 0.82 0.89 0.78 2.17 0.87 -1.80 0.37 113.55 117.65 1x19 h SER 37 Ca 0.15 -0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.52 1x19 h SER 37 Cb 0.56 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 1x19 h SER 37 CO 0.03 0.59 -0.87 0.45 -0.53 0.00 0.00 176.83 176.51 1x19 h HIS 38 N 1.02 0.09 0.00 2.24 3.86 -1.10 -3.10 115.15 118.16 1x19 h HIS 38 Ca 0.36 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 1x19 h HIS 38 Cb 0.11 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1x19 h HIS 38 CO -0.00 0.89 -0.16 0.52 0.86 0.00 0.00 177.93 180.04 1x19 h MET 39 N 0.03 0.00 0.00 2.45 2.07 -0.68 -3.16 114.93 115.64 1x19 h MET 39 Ca -0.02 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.59 1x19 h MET 39 Cb 1.52 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 31.25 1x19 h MET 39 CO 0.12 0.00 -0.07 0.00 1.07 0.00 0.00 176.91 178.03 1x19 h ALA 40 N 2.01 1.42 -0.67 6.32 0.00 -0.20 -0.74 119.26 127.41 1x19 h ALA 40 Ca 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1x19 h ALA 40 Cb 0.99 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1x19 h ALA 40 CO 0.00 0.08 0.44 0.93 0.00 0.00 0.00 179.25 180.71 1x19 h GLU 41 N 0.00 0.82 0.00 0.00 4.39 -1.68 -3.48 114.58 114.63 1x19 h GLU 41 Ca -0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1x19 h GLU 41 Cb 0.18 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1x19 h GLU 41 CO 0.01 0.54 0.00 0.41 -1.16 0.00 0.00 179.01 178.81 1x19 n GLY 42 N -1.44 2.14 3.46 -3.84 0.00 -0.28 -5.11 105.19 100.11 1x19 n GLY 42 Ca 0.08 -1.69 -0.52 0.00 0.00 0.00 0.00 46.02 43.88 1x19 n GLY 42 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1x19 n PRO 43 N -1.81 0.12 -3.81 1.61 -0.02 -1.26 -4.77 135.00 125.05 1x19 n PRO 43 Ca 0.00 0.04 -0.12 0.00 -2.02 0.00 0.00 63.50 61.40 1x19 n PRO 43 Cb 0.00 -1.28 -0.09 0.00 -0.02 0.00 0.00 33.50 32.11 1x19 n PRO 43 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1x19 s LYS 44 N -0.58 0.57 0.80 -0.52 1.02 -0.26 -4.89 119.74 115.87 1x19 s LYS 44 Ca 0.75 -0.26 -0.09 0.00 0.02 0.00 0.00 55.97 56.39 1x19 s LYS 44 Cb -1.05 0.25 0.12 0.00 -0.52 0.00 0.00 37.83 36.62 1x19 s LYS 44 CO 0.56 -0.15 1.12 0.16 -0.92 0.00 0.00 175.35 176.13 1x19 s ASP 45 N -1.29 4.19 0.16 2.83 1.47 -1.26 0.26 116.67 123.04 1x19 s ASP 45 Ca -0.13 0.30 -0.15 0.00 1.18 0.00 0.00 52.55 53.74 1x19 s ASP 45 Cb -0.06 -0.70 0.06 0.00 -0.34 0.00 0.00 42.92 41.87 1x19 s ASP 45 CO 0.03 -2.02 1.79 0.25 0.68 0.00 0.00 175.17 175.90 1x19 h LEU 46 N -0.95 0.34 -1.82 2.11 6.46 -1.99 -2.47 115.31 117.00 1x19 h LEU 46 Ca -0.43 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.38 1x19 h LEU 46 Cb 1.29 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 41.15 1x19 h LEU 46 CO 0.51 0.24 0.20 0.00 -0.62 0.00 0.00 178.44 178.77 1x19 h ALA 47 N 1.20 1.98 0.01 1.25 0.00 -1.96 0.54 119.26 122.27 1x19 h ALA 47 Ca 0.17 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1x19 h ALA 47 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1x19 h ALA 47 CO -0.10 -0.02 -0.19 1.15 0.00 0.00 0.00 179.25 180.09 1x19 h THR 48 N 0.24 1.60 -0.15 0.00 2.02 -1.84 -2.54 112.91 112.24 1x19 h THR 48 Ca 0.12 -2.01 -0.04 0.00 0.77 0.00 0.00 66.41 65.26 1x19 h THR 48 Cb 0.20 2.90 -0.01 0.00 -1.74 0.00 0.00 68.15 69.50 1x19 h THR 48 CO -0.02 0.54 -0.08 -0.07 0.37 0.00 0.00 175.52 176.26 1x19 h LEU 49 N -0.63 0.20 -0.36 2.58 3.38 -1.09 0.99 115.31 120.39 1x19 h LEU 49 Ca -0.03 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1x19 h LEU 49 Cb 0.99 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1x19 h LEU 49 CO 0.04 0.32 -0.32 0.00 0.09 0.00 0.00 178.44 178.57 1x19 h ALA 50 N 1.71 0.52 -0.01 1.53 0.00 -0.94 -1.83 119.26 120.24 1x19 h ALA 50 Ca 0.05 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1x19 h ALA 50 Cb 0.28 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1x19 h ALA 50 CO 0.01 0.57 -0.00 0.00 0.00 0.00 0.00 179.25 179.83 1x19 h ALA 51 N 0.76 0.01 0.00 0.00 0.00 -0.92 0.39 119.26 119.51 1x19 h ALA 51 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1x19 h ALA 51 Cb 0.90 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1x19 h ALA 51 CO 0.08 -0.28 0.00 -0.40 0.00 0.00 0.00 179.25 178.65 1x19 n ASP 52 N -4.88 0.30 -0.37 0.00 5.68 0.28 -2.73 116.55 114.82 1x19 n ASP 52 Ca -0.08 0.55 0.10 0.00 -0.50 0.00 0.00 54.79 54.86 1x19 n ASP 52 Cb 0.22 -0.62 -0.02 0.00 -1.14 0.00 0.00 41.12 39.55 1x19 n ASP 52 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1x19 n THR 53 N -1.81 0.00 -2.90 2.12 -2.24 -0.69 -5.00 114.28 103.75 1x19 n THR 53 Ca 0.04 -0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.45 1x19 n THR 53 Cb 0.27 1.19 0.03 0.00 -2.10 0.00 0.00 70.33 69.73 1x19 n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x19 n GLY 54 N 1.33 0.17 3.69 3.38 0.00 0.07 -5.00 105.19 108.83 1x19 n GLY 54 Ca 0.07 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 1x19 n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x19 s SER 55 N -3.06 4.58 -0.24 1.61 0.01 -0.86 -5.06 113.70 110.68 1x19 s SER 55 Ca 0.24 -0.74 -0.21 0.00 1.31 0.00 0.00 55.95 56.55 1x19 s SER 55 Cb -0.11 -0.76 -0.02 0.00 0.21 0.00 0.00 66.02 65.34 1x19 s SER 55 CO 0.30 -0.17 0.67 0.68 0.41 0.00 0.00 173.24 175.14 1x19 s VAL 56 N -2.39 4.96 0.18 3.43 -7.23 -1.26 -4.67 120.40 113.42 1x19 s VAL 56 Ca 0.35 1.24 -0.27 0.00 -1.81 0.00 0.00 61.98 61.49 1x19 s VAL 56 Cb -0.04 -3.98 0.03 0.00 0.56 0.00 0.00 36.38 32.96 1x19 s VAL 56 CO 0.21 0.02 1.54 -0.65 -0.31 0.00 0.00 175.10 175.92 1x19 h PRO 57 N 7.76 -0.01 0.00 4.82 0.11 -1.92 -0.45 132.00 142.30 1x19 h PRO 57 Ca -0.27 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 1x19 h PRO 57 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1x19 h PRO 57 CO 0.79 -0.01 -0.11 -1.00 -0.21 0.00 0.00 178.00 177.46 1x19 h PRO 58 N -0.01 0.00 -0.13 1.05 0.13 -1.99 -1.45 132.00 129.61 1x19 h PRO 58 Ca 0.22 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.12 1x19 h PRO 58 Cb 0.48 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.62 1x19 h PRO 58 CO -0.95 0.11 -0.81 0.00 -0.23 0.00 0.00 178.00 176.12 1x19 h ARG 59 N 0.00 0.75 -0.67 0.86 3.08 -1.58 -3.23 114.38 113.58 1x19 h ARG 59 Ca -0.00 -0.63 -0.01 0.00 0.07 0.00 0.00 59.98 59.41 1x19 h ARG 59 Cb 0.33 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 1x19 h ARG 59 CO 0.01 1.24 0.39 1.25 -1.07 0.00 0.00 179.97 181.80 1x19 h LEU 60 N 0.50 0.82 -1.33 3.04 6.46 -0.41 -2.38 115.31 122.00 1x19 h LEU 60 Ca -0.06 -0.07 0.17 0.00 -0.12 0.00 0.00 57.88 57.79 1x19 h LEU 60 Cb 1.44 -0.21 -0.07 0.00 -0.73 0.00 0.00 40.66 41.09 1x19 h LEU 60 CO 0.16 0.65 0.58 -0.08 -0.62 0.00 0.00 178.44 179.14 1x19 h GLU 61 N 0.92 0.59 -0.02 1.25 4.81 -1.31 0.76 114.58 121.57 1x19 h GLU 61 Ca 0.24 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 1x19 h GLU 61 Cb -0.01 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1x19 h GLU 61 CO -0.04 0.39 -0.50 0.52 -0.73 0.00 0.00 179.01 178.65 1x19 h MET 62 N 0.61 0.06 -0.23 1.92 0.00 -1.47 0.77 114.93 116.59 1x19 h MET 62 Ca 0.46 -0.03 -0.09 0.00 0.00 0.00 0.00 59.70 60.05 1x19 h MET 62 Cb 0.87 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 32.47 1x19 h MET 62 CO -0.21 0.55 -0.19 1.25 0.00 0.00 0.00 176.91 178.30 1x19 h LEU 63 N 0.05 0.57 -0.37 1.22 5.85 -0.96 -2.12 115.31 119.55 1x19 h LEU 63 Ca -0.00 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1x19 h LEU 63 Cb 0.90 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1x19 h LEU 63 CO 0.07 0.90 0.23 -0.07 -0.34 0.00 0.00 178.44 179.23 1x19 h LEU 64 N 0.24 0.43 -0.45 2.25 4.07 -0.24 -1.12 115.31 120.48 1x19 h LEU 64 Ca 0.04 -0.04 0.05 0.00 0.08 0.00 0.00 57.88 58.01 1x19 h LEU 64 Cb 0.73 -0.11 -0.04 0.00 1.08 0.00 0.00 40.66 42.31 1x19 h LEU 64 CO 0.05 0.34 0.20 -0.08 -1.08 0.00 0.00 178.44 177.87 1x19 h GLU 65 N 0.48 0.40 -0.35 1.13 4.57 -0.86 0.73 114.58 120.68 1x19 h GLU 65 Ca 0.13 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.23 1x19 h GLU 65 Cb -0.02 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 1x19 h GLU 65 CO -0.03 0.26 -0.01 1.15 -1.18 0.00 0.00 179.01 179.21 1x19 h THR 66 N 0.41 1.21 0.00 0.32 2.02 -0.94 -0.50 112.91 115.42 1x19 h THR 66 Ca 0.20 -0.83 -0.12 0.00 0.77 0.00 0.00 66.41 66.43 1x19 h THR 66 Cb 0.15 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1x19 h THR 66 CO -0.17 0.28 -0.59 -0.07 0.37 0.00 0.00 175.52 175.34 1x19 h LEU 67 N 0.53 0.00 -0.15 2.58 4.07 -0.14 -0.86 115.31 121.33 1x19 h LEU 67 Ca 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.04 1x19 h LEU 67 Cb 0.36 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.09 1x19 h LEU 67 CO 0.01 0.59 -0.02 -0.09 -1.08 0.00 0.00 178.44 177.86 1x19 h ARG 68 N 0.00 0.27 0.00 1.13 2.43 0.20 -1.03 114.38 117.38 1x19 h ARG 68 Ca -0.01 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1x19 h ARG 68 Cb 1.20 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1x19 h ARG 68 CO 0.08 0.53 -0.06 1.96 -1.51 0.00 0.00 179.97 180.97 1x19 h GLN 69 N -0.01 0.00 -0.00 0.20 4.20 -0.92 0.15 115.11 118.74 1x19 h GLN 69 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1x19 h GLN 69 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1x19 h GLN 69 CO 0.01 0.06 -0.00 -1.33 -0.67 0.00 0.00 178.83 176.89 1x19 n MET 70 N -3.26 0.67 -3.32 1.46 2.81 -0.36 -4.89 117.12 110.23 1x19 n MET 70 Ca -0.01 -0.02 -0.16 0.00 -1.81 0.00 0.00 57.70 55.71 1x19 n MET 70 Cb 0.26 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.35 1x19 n MET 70 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1x19 n ARG 71 N -1.15 -5.98 -0.05 0.03 5.12 0.54 -4.90 116.66 110.28 1x19 n ARG 71 Ca 0.18 0.79 -0.06 0.00 -1.93 0.00 0.00 57.85 56.84 1x19 n ARG 71 Cb 0.19 -5.64 -0.06 0.00 -1.16 0.00 0.00 32.46 25.80 1x19 n ARG 71 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1x19 n VAL 72 N -3.88 0.60 -4.32 1.55 0.31 -0.41 -4.87 118.33 107.32 1x19 n VAL 72 Ca -0.26 -0.31 -0.17 0.00 -0.01 0.00 0.00 64.34 63.60 1x19 n VAL 72 Cb 0.66 -0.83 -0.10 0.00 -0.91 0.00 0.00 33.84 32.66 1x19 n VAL 72 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1x19 s ILE 73 N -2.21 0.80 0.21 2.52 -4.36 -1.11 -2.00 121.20 115.05 1x19 s ILE 73 Ca -0.09 -2.01 0.08 0.00 -0.26 0.00 0.00 60.65 58.37 1x19 s ILE 73 Cb 0.03 -2.46 -0.05 0.00 1.25 0.00 0.00 42.46 41.24 1x19 s ILE 73 CO 0.30 -0.20 -0.15 0.20 0.24 0.00 0.00 174.94 175.33 1x19 s ASN 74 N -3.30 2.70 -0.05 4.36 0.01 -0.22 -4.26 114.94 114.17 1x19 s ASN 74 Ca 0.32 -1.02 0.01 0.00 -0.71 0.00 0.00 52.86 51.46 1x19 s ASN 74 Cb 0.07 -0.16 0.02 0.00 0.41 0.00 0.00 41.25 41.59 1x19 s ASN 74 CO 0.10 -0.14 -0.06 -0.22 -1.51 0.00 0.00 177.10 175.27 1x19 s LEU 75 N -3.32 1.38 -0.16 0.60 0.20 -1.26 -1.29 118.68 114.82 1x19 s LEU 75 Ca 0.23 -0.18 -0.07 0.00 0.69 0.00 0.00 54.13 54.80 1x19 s LEU 75 Cb -0.01 -0.56 0.07 0.00 -0.43 0.00 0.00 46.19 45.25 1x19 s LEU 75 CO 0.08 -0.04 0.36 -1.61 -0.29 0.00 0.00 176.35 174.85 1x19 s GLU 76 N 0.92 0.29 -1.39 1.98 2.02 -0.54 -4.89 118.70 117.09 1x19 s GLU 76 Ca -0.11 0.82 -0.03 0.00 0.02 0.00 0.00 54.97 55.67 1x19 s GLU 76 Cb -0.15 0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.15 1x19 s GLU 76 CO 0.01 -0.21 0.42 -0.25 0.02 0.00 0.00 175.26 175.24 1x19 n ASP 77 N 4.84 -0.72 -1.19 -0.19 8.00 -1.26 -1.34 116.55 124.69 1x19 n ASP 77 Ca -0.15 -1.04 -0.15 0.00 0.71 0.00 0.00 54.79 54.16 1x19 n ASP 77 Cb 0.52 -2.93 -0.06 0.00 -0.02 0.00 0.00 41.12 38.62 1x19 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x19 n GLY 78 N -2.01 1.44 3.25 0.44 0.00 -1.26 -4.97 105.19 102.08 1x19 n GLY 78 Ca -0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 1x19 n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x19 s LYS 79 N -3.26 3.20 0.03 1.61 1.02 -0.45 -4.20 119.74 117.69 1x19 s LYS 79 Ca 0.00 -0.74 -0.17 0.00 0.02 0.00 0.00 55.97 55.08 1x19 s LYS 79 Cb 0.00 -2.67 -0.06 0.00 -0.52 0.00 0.00 37.83 34.58 1x19 s LYS 79 CO 0.00 -0.04 0.48 -1.58 -0.92 0.00 0.00 175.35 173.28 1x19 s TRP 80 N 0.97 3.75 0.16 3.18 0.52 0.14 -1.47 118.94 126.20 1x19 s TRP 80 Ca -0.02 1.10 -0.11 0.00 0.02 0.00 0.00 56.10 57.09 1x19 s TRP 80 Cb -0.15 -2.38 0.00 0.00 -1.15 0.00 0.00 33.47 29.79 1x19 s TRP 80 CO -0.02 0.61 0.34 -1.54 0.02 0.00 0.00 176.95 176.35 1x19 s SER 81 N -1.03 -0.03 0.43 2.95 1.04 -0.41 -1.10 113.70 115.54 1x19 s SER 81 Ca 0.26 -0.74 -0.23 0.00 0.48 0.00 0.00 55.95 55.72 1x19 s SER 81 Cb -0.18 0.46 -0.08 0.00 0.10 0.00 0.00 66.02 66.32 1x19 s SER 81 CO 0.16 -0.91 1.09 -0.76 0.98 0.00 0.00 173.24 173.79 1x19 s LEU 82 N -2.93 4.06 0.79 2.42 2.01 -1.26 -1.06 118.68 122.71 1x19 s LEU 82 Ca 0.14 2.11 -0.12 0.00 0.01 0.00 0.00 54.13 56.27 1x19 s LEU 82 Cb 0.02 -4.25 0.06 0.00 0.01 0.00 0.00 46.19 42.04 1x19 s LEU 82 CO -0.02 -0.67 1.11 0.28 1.01 0.00 0.00 176.35 178.06 1x19 s THR 83 N -1.66 2.96 0.15 5.49 -1.32 -0.85 -4.71 115.64 115.70 1x19 s THR 83 Ca 0.61 0.31 -0.16 0.00 -1.21 0.00 0.00 61.69 61.24 1x19 s THR 83 Cb -0.23 -3.15 0.01 0.00 -1.51 0.00 0.00 72.50 67.61 1x19 s THR 83 CO 0.29 -0.41 1.76 -0.08 -2.21 0.00 0.00 174.62 173.97 1x19 h GLU 84 N -1.01 0.57 -0.25 7.08 4.81 -1.95 0.85 114.58 124.68 1x19 h GLU 84 Ca -0.47 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 58.76 1x19 h GLU 84 Cb 1.28 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 30.47 1x19 h GLU 84 CO 0.62 0.45 -0.26 0.35 -0.73 0.00 0.00 179.01 179.44 1x19 h PHE 85 N 0.53 -0.69 -0.62 0.92 3.57 -1.91 -2.13 116.94 116.62 1x19 h PHE 85 Ca 0.15 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.59 1x19 h PHE 85 Cb 0.04 0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1x19 h PHE 85 CO -0.03 -0.33 0.01 0.00 -2.23 0.00 0.00 178.31 175.73 1x19 h ALA 86 N 0.76 0.85 -0.41 2.41 0.00 -1.70 0.36 119.26 121.53 1x19 h ALA 86 Ca 0.14 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1x19 h ALA 86 Cb 0.48 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1x19 h ALA 86 CO -0.40 0.67 0.07 0.22 0.00 0.00 0.00 179.25 179.81 1x19 h ASP 87 N 0.98 0.58 0.30 0.00 3.58 -0.65 0.12 116.42 121.33 1x19 h ASP 87 Ca 0.18 -0.10 -0.33 0.00 0.42 0.00 0.00 57.03 57.20 1x19 h ASP 87 Cb 0.55 -0.15 0.03 0.00 1.72 0.00 0.00 39.33 41.47 1x19 h ASP 87 CO 0.03 0.60 -1.53 0.22 -2.88 0.00 0.00 179.24 175.69 1x19 h TYR 88 N 0.60 0.84 0.00 0.28 3.20 -1.20 -3.32 116.97 117.37 1x19 h TYR 88 Ca 0.13 -0.61 -0.03 0.00 3.14 0.00 0.00 58.73 61.36 1x19 h TYR 88 Cb 0.28 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1x19 h TYR 88 CO 0.01 1.55 -2.00 -1.33 -1.64 0.00 0.00 178.16 174.75 1x19 n MET 89 N -3.65 0.65 -0.41 1.82 2.81 0.10 -4.38 117.12 114.05 1x19 n MET 89 Ca -0.18 -0.18 0.05 0.00 -1.81 0.00 0.00 57.70 55.59 1x19 n MET 89 Cb 1.09 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 32.17 1x19 n MET 89 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1x19 n PHE 90 N -2.28 0.00 -2.25 2.03 3.72 0.40 0.37 117.46 119.44 1x19 n PHE 90 Ca -0.07 -0.56 -0.26 0.00 -0.05 0.00 0.00 57.45 56.52 1x19 n PHE 90 Cb 0.60 -0.11 0.10 0.00 -0.94 0.00 0.00 39.48 39.13 1x19 n PHE 90 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1x19 s SER 91 N -2.01 4.44 0.10 4.37 1.04 -1.15 -4.71 113.70 115.79 1x19 s SER 91 Ca 0.18 0.23 -0.22 0.00 0.48 0.00 0.00 55.95 56.63 1x19 s SER 91 Cb 0.17 -0.73 -0.12 0.00 0.10 0.00 0.00 66.02 65.43 1x19 s SER 91 CO -0.01 -1.83 1.73 1.55 0.98 0.00 0.00 173.24 175.66 1x19 h PRO 92 N -0.74 0.10 -5.54 4.02 0.13 -1.91 -3.43 132.00 124.62 1x19 h PRO 92 Ca -0.43 -0.01 -0.65 0.00 -0.87 0.00 0.00 66.00 64.05 1x19 h PRO 92 Cb 1.29 -0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.29 1x19 h PRO 92 CO 0.52 0.09 -0.53 0.95 -0.23 0.00 0.00 178.00 178.80 1x19 s THR 93 N -6.07 5.11 0.36 1.56 -4.23 -1.26 -5.02 115.64 106.08 1x19 s THR 93 Ca -0.13 0.07 -0.28 0.00 -1.18 0.00 0.00 61.69 60.16 1x19 s THR 93 Cb 0.07 -3.25 -0.11 0.00 1.34 0.00 0.00 72.50 70.55 1x19 s THR 93 CO 0.67 0.55 1.50 -2.16 -0.54 0.00 0.00 174.62 174.64 1x19 s PRO 94 N -0.41 4.13 -0.03 3.99 0.04 -1.26 -4.90 135.00 136.55 1x19 s PRO 94 Ca 0.11 2.55 -0.10 0.00 0.04 0.00 0.00 61.00 63.60 1x19 s PRO 94 Cb -0.12 -2.99 -0.31 0.00 0.04 0.00 0.00 34.50 31.13 1x19 s PRO 94 CO 0.02 -0.53 0.75 0.87 0.04 0.00 0.00 177.00 178.15 1x19 h LYS 95 N 3.39 0.39 -5.23 4.56 1.79 -1.84 -3.42 116.57 116.19 1x19 h LYS 95 Ca -0.50 -0.67 -0.67 0.00 -2.18 0.00 0.00 60.65 56.64 1x19 h LYS 95 Cb 1.23 0.25 -0.31 0.00 -1.58 0.00 0.00 32.23 31.82 1x19 h LYS 95 CO 0.67 1.30 -0.83 -2.00 -1.08 0.00 0.00 179.45 177.51 1x19 s GLU 96 N -2.59 3.17 0.54 3.15 2.12 -1.26 -5.03 118.70 118.79 1x19 s GLU 96 Ca -0.14 -0.79 0.28 0.00 0.36 0.00 0.00 54.97 54.69 1x19 s GLU 96 Cb 0.05 -2.53 1.54 0.00 0.26 0.00 0.00 34.13 33.46 1x19 s GLU 96 CO 0.87 0.06 2.12 -1.00 -0.54 0.00 0.00 175.26 176.76 1x19 h PRO 97 N 7.14 0.00 -0.44 4.30 0.13 -1.97 -3.06 132.00 138.10 1x19 h PRO 97 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1x19 h PRO 97 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1x19 h PRO 97 CO 0.55 0.09 0.00 0.09 -0.23 0.00 0.00 178.00 178.50 1x19 n ASN 98 N -3.67 4.34 -3.43 1.44 4.13 -1.26 -4.39 115.26 112.42 1x19 n ASN 98 Ca -0.02 -2.68 -0.23 0.00 1.68 0.00 0.00 54.58 53.32 1x19 n ASN 98 Cb 0.20 -0.53 -0.10 0.00 -1.54 0.00 0.00 39.78 37.81 1x19 n ASN 98 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1x19 s LEU 99 N -2.26 0.40 -0.23 3.41 2.96 -1.12 -0.45 118.68 121.39 1x19 s LEU 99 Ca 0.44 -1.69 -0.11 0.00 -0.22 0.00 0.00 54.13 52.55 1x19 s LEU 99 Cb 0.32 0.07 0.08 0.00 0.50 0.00 0.00 46.19 47.15 1x19 s LEU 99 CO 0.16 -0.32 0.54 -2.28 -1.32 0.00 0.00 176.35 173.13 1x19 s HIS 100 N 1.48 -0.88 -0.78 5.38 2.46 -0.42 -4.42 115.29 118.11 1x19 s HIS 100 Ca 0.15 1.75 0.22 0.00 0.47 0.00 0.00 55.06 57.65 1x19 s HIS 100 Cb -0.18 0.47 -0.03 0.00 -0.13 0.00 0.00 32.58 32.70 1x19 s HIS 100 CO -0.09 -0.47 0.98 0.94 -2.47 0.00 0.00 174.74 173.63 1x19 n GLN 101 N 4.57 0.15 -0.00 2.88 -0.06 0.16 -4.61 117.38 120.47 1x19 n GLN 101 Ca -0.19 -0.02 -0.11 0.00 -2.00 0.00 0.00 57.00 54.68 1x19 n GLN 101 Cb 0.55 -1.53 -0.05 0.00 -4.06 0.00 0.00 30.24 25.15 1x19 n GLN 101 CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 1x19 h THR 102 N 0.00 0.20 -0.63 1.69 2.02 -1.81 0.45 112.91 114.83 1x19 h THR 102 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1x19 h THR 102 Cb 0.62 0.20 -0.06 0.00 -1.74 0.00 0.00 68.15 67.17 1x19 h THR 102 CO 0.00 0.00 0.32 -0.65 0.37 0.00 0.00 175.52 175.56 1x19 h PRO 103 N -0.45 0.57 0.00 6.66 0.11 -1.93 -0.32 132.00 136.64 1x19 h PRO 103 Ca 0.09 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.04 1x19 h PRO 103 Cb 0.60 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 1x19 h PRO 103 CO -0.38 0.38 -0.60 -0.24 -0.21 0.00 0.00 178.00 176.94 1x19 h VAL 104 N 0.58 1.25 -0.38 3.15 3.04 -1.71 -2.48 116.25 119.69 1x19 h VAL 104 Ca 0.29 -2.20 -0.03 0.00 -1.01 0.00 0.00 66.70 63.76 1x19 h VAL 104 Cb 0.24 2.25 -0.02 0.00 -2.01 0.00 0.00 31.29 31.75 1x19 h VAL 104 CO -0.21 0.59 0.13 0.00 -1.01 0.00 0.00 177.57 177.07 1x19 h ALA 105 N 1.40 0.50 -0.79 3.17 0.00 0.18 0.13 119.26 123.86 1x19 h ALA 105 Ca -0.01 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1x19 h ALA 105 Cb 1.20 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 1x19 h ALA 105 CO 0.08 0.13 0.49 0.87 0.00 0.00 0.00 179.25 180.82 1x19 h LYS 106 N 0.47 0.92 -0.50 0.00 1.57 -0.94 0.20 116.57 118.29 1x19 h LYS 106 Ca 0.13 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 1x19 h LYS 106 Cb 0.23 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1x19 h LYS 106 CO -0.01 0.61 -0.09 0.00 -0.57 0.00 0.00 179.45 179.39 1x19 h ALA 107 N 1.34 0.68 -0.30 3.86 0.00 -0.94 -2.26 119.26 121.65 1x19 h ALA 107 Ca 0.32 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1x19 h ALA 107 Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1x19 h ALA 107 CO -0.13 0.57 -0.16 0.52 0.00 0.00 0.00 179.25 180.05 1x19 h MET 108 N 0.80 0.54 -0.64 0.00 2.86 -0.04 -0.34 114.93 118.11 1x19 h MET 108 Ca 0.13 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1x19 h MET 108 Cb 0.64 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 1x19 h MET 108 CO 0.04 0.68 0.40 0.00 1.06 0.00 0.00 176.91 179.09 1x19 h ALA 109 N 1.34 0.81 -0.24 6.32 0.00 -0.33 -0.18 119.26 126.99 1x19 h ALA 109 Ca 0.08 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1x19 h ALA 109 Cb 0.56 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1x19 h ALA 109 CO 0.04 0.27 -0.19 0.35 0.00 0.00 0.00 179.25 179.72 1x19 h PHE 110 N 0.86 0.65 -0.01 0.00 3.04 -1.09 -3.14 116.94 117.25 1x19 h PHE 110 Ca 0.23 -0.18 -0.05 0.00 3.98 0.00 0.00 57.97 61.95 1x19 h PHE 110 Cb -0.05 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.31 1x19 h PHE 110 CO -0.02 0.86 -0.21 -0.07 -2.02 0.00 0.00 178.31 176.84 1x19 h LEU 111 N 0.25 0.01 -0.09 0.59 3.38 -0.82 -0.62 115.31 118.02 1x19 h LEU 111 Ca 0.04 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1x19 h LEU 111 Cb 0.73 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1x19 h LEU 111 CO 0.05 0.23 -0.13 0.00 0.09 0.00 0.00 178.44 178.68 1x19 h ALA 112 N 1.78 -0.07 -0.01 1.53 0.00 -0.98 0.15 119.26 121.66 1x19 h ALA 112 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1x19 h ALA 112 Cb 0.38 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1x19 h ALA 112 CO 0.03 -0.59 -0.01 -0.44 0.00 0.00 0.00 179.25 178.24 1x19 h ASP 113 N -0.17 0.02 -0.19 0.00 3.45 -1.56 -1.40 116.42 116.56 1x19 h ASP 113 Ca 0.08 -0.47 -0.07 0.00 0.43 0.00 0.00 57.03 57.00 1x19 h ASP 113 Cb 0.28 -0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.03 1x19 h ASP 113 CO -0.19 0.48 -0.09 -0.78 -1.57 0.00 0.00 179.24 177.09 1x19 h ASP 114 N -0.45 0.52 0.00 6.45 1.82 -1.06 -3.44 116.42 120.27 1x19 h ASP 114 Ca 0.00 -0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.51 1x19 h ASP 114 Cb 0.48 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.35 1x19 h ASP 114 CO 0.00 0.65 0.00 0.33 -1.61 0.00 0.00 179.24 178.61 1x19 n PHE 115 N -4.22 -0.85 -0.32 0.28 -0.00 0.39 -4.92 117.46 107.82 1x19 n PHE 115 Ca 0.01 0.15 0.08 0.00 -0.00 0.00 0.00 57.45 57.69 1x19 n PHE 115 Cb 0.31 0.56 0.28 0.00 -0.00 0.00 0.00 39.48 40.63 1x19 n PHE 115 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.76 178.64 1x19 h TYR 116 N 0.00 1.03 0.00 -5.13 0.99 -1.16 -0.51 116.97 112.19 1x19 h TYR 116 Ca 0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1x19 h TYR 116 Cb 0.00 -0.33 0.00 0.00 1.00 0.00 0.00 36.73 37.40 1x19 h TYR 116 CO 0.00 0.42 0.00 0.52 -0.00 0.00 0.00 178.16 179.10 1x19 h MET 117 N 0.91 0.00 -0.57 4.88 2.86 -1.50 -2.59 114.93 118.91 1x19 h MET 117 Ca 0.47 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.97 1x19 h MET 117 Cb 0.51 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.09 1x19 h MET 117 CO -0.23 0.00 0.14 0.41 1.06 0.00 0.00 176.91 178.29 1x19 n GLY 118 N -0.35 3.76 0.32 8.32 0.00 -0.21 -4.68 105.19 112.36 1x19 n GLY 118 Ca -0.00 -1.02 0.05 0.00 0.00 0.00 0.00 46.02 45.05 1x19 n GLY 118 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1x19 h LEU 119 N 2.54 0.72 -0.70 0.99 5.85 -1.40 -1.52 115.31 121.80 1x19 h LEU 119 Ca 0.16 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1x19 h LEU 119 Cb 2.03 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.92 1x19 h LEU 119 CO 0.56 0.38 0.40 0.77 -0.34 0.00 0.00 178.44 180.21 1x19 h SER 120 N 0.81 0.62 -0.76 1.25 4.64 -1.87 0.20 113.55 118.43 1x19 h SER 120 Ca 0.44 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.73 1x19 h SER 120 Cb 0.46 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 1x19 h SER 120 CO -0.27 0.40 0.30 1.56 -0.87 0.00 0.00 176.83 177.95 1x19 h GLN 121 N 0.75 1.15 -0.06 4.77 4.20 -1.68 -2.17 115.11 122.08 1x19 h GLN 121 Ca 0.31 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1x19 h GLN 121 Cb 0.16 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1x19 h GLN 121 CO -0.17 0.94 0.03 0.00 -0.67 0.00 0.00 178.83 178.96 1x19 h ALA 122 N 1.20 0.07 -0.49 3.87 0.00 -0.43 0.10 119.26 123.57 1x19 h ALA 122 Ca 0.26 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.19 1x19 h ALA 122 Cb 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1x19 h ALA 122 CO -0.02 -0.36 0.34 0.28 0.00 0.00 0.00 179.25 179.48 1x19 h VAL 123 N -0.03 0.88 -0.16 0.00 2.07 -0.40 -0.59 116.25 118.02 1x19 h VAL 123 Ca 0.02 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1x19 h VAL 123 Cb 0.12 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1x19 h VAL 123 CO -0.00 0.05 0.00 0.54 0.02 0.00 0.00 177.57 178.18 1x19 n ARG 124 N -4.46 1.46 -0.99 1.57 1.74 -0.84 -4.89 116.66 110.25 1x19 n ARG 124 Ca 0.08 -0.70 0.00 0.00 -0.77 0.00 0.00 57.85 56.45 1x19 n ARG 124 Cb 0.37 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 1x19 n ARG 124 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x19 n GLY 125 N 0.90 0.38 0.07 -0.13 0.00 -0.23 -4.88 105.19 101.29 1x19 n GLY 125 Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.26 1x19 n GLY 125 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x19 n GLN 126 N -1.82 0.39 -3.74 1.61 6.02 -0.02 -4.87 117.38 114.96 1x19 n GLN 126 Ca 0.00 -0.13 -0.13 0.00 -0.01 0.00 0.00 57.00 56.72 1x19 n GLN 126 Cb 0.14 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.81 1x19 n GLN 126 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1x19 s LYS 127 N -2.70 0.59 0.20 -1.09 2.20 -1.15 -4.90 119.74 112.90 1x19 s LYS 127 Ca 0.22 0.14 0.11 0.00 -0.36 0.00 0.00 55.97 56.08 1x19 s LYS 127 Cb 0.19 0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 36.74 1x19 s LYS 127 CO 0.53 -0.13 -0.22 -0.80 -0.36 0.00 0.00 175.35 174.37 1x19 s ASN 128 N -0.66 3.53 0.23 1.43 0.02 -1.26 -4.24 114.94 113.99 1x19 s ASN 128 Ca -0.08 -0.85 -0.30 0.00 -1.02 0.00 0.00 52.86 50.62 1x19 s ASN 128 Cb -0.04 -0.31 -0.09 0.00 0.02 0.00 0.00 41.25 40.84 1x19 s ASN 128 CO 0.03 0.11 1.13 0.12 0.02 0.00 0.00 177.10 178.51 1x19 s PHE 129 N -1.74 3.54 0.13 2.20 2.19 0.05 -4.89 117.98 119.46 1x19 s PHE 129 Ca 0.22 1.60 0.00 0.00 0.33 0.00 0.00 56.93 59.08 1x19 s PHE 129 Cb -0.08 -3.33 0.00 0.00 -1.31 0.00 0.00 43.02 38.31 1x19 s PHE 129 CO 0.11 -0.75 0.00 1.17 1.83 0.00 0.00 175.22 177.58 1x19 n LYS 130 N 1.79 0.00 -1.25 10.12 4.81 -1.26 -4.95 118.16 127.43 1x19 n LYS 130 Ca 0.01 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.56 1x19 n LYS 130 Cb 0.45 -0.13 -0.06 0.00 0.02 0.00 0.00 35.03 35.31 1x19 n LYS 130 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x19 n GLY 131 N 1.97 -3.44 0.17 3.14 0.00 -1.26 -4.70 105.19 101.06 1x19 n GLY 131 Ca 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 46.02 44.92 1x19 n GLY 131 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1x19 n GLN 132 N -3.59 -0.18 -4.27 1.61 7.27 -1.26 -4.64 117.38 112.32 1x19 n GLN 132 Ca -0.06 0.92 -0.19 0.00 0.07 0.00 0.00 57.00 57.74 1x19 n GLN 132 Cb 0.54 -1.36 -0.11 0.00 2.41 0.00 0.00 30.24 31.72 1x19 n GLN 132 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1x19 s VAL 133 N -4.32 1.47 0.32 1.69 -7.23 -1.26 -5.12 120.40 105.94 1x19 s VAL 133 Ca -0.05 -1.81 -0.28 0.00 -1.81 0.00 0.00 61.98 58.03 1x19 s VAL 133 Cb 0.04 -1.65 -0.10 0.00 0.56 0.00 0.00 36.38 35.24 1x19 s VAL 133 CO 0.25 -0.41 1.16 -2.84 -0.31 0.00 0.00 175.10 172.95 1x19 s PRO 134 N -2.79 4.46 -0.05 4.82 0.02 -1.26 -5.02 135.00 135.18 1x19 s PRO 134 Ca 0.12 1.90 0.06 0.00 0.02 0.00 0.00 61.00 63.09 1x19 s PRO 134 Cb -0.05 -3.05 -0.02 0.00 0.02 0.00 0.00 34.50 31.40 1x19 s PRO 134 CO 0.04 0.02 -0.22 -0.47 -0.33 0.00 0.00 177.00 176.04 1x19 s TYR 135 N -1.22 2.50 0.21 6.54 5.04 -1.26 -2.55 117.35 126.61 1x19 s TYR 135 Ca 0.48 -0.51 -0.30 0.00 -2.44 0.00 0.00 57.07 54.31 1x19 s TYR 135 Cb -0.33 -1.60 -0.08 0.00 0.35 0.00 0.00 41.96 40.30 1x19 s TYR 135 CO 0.43 -0.07 1.11 -1.25 -1.34 0.00 0.00 175.55 174.43 1x19 s PRO 136 N -0.38 4.60 0.63 4.97 0.04 -1.26 -5.10 135.00 138.50 1x19 s PRO 136 Ca 0.03 1.76 -0.19 0.00 0.04 0.00 0.00 61.00 62.65 1x19 s PRO 136 Cb -0.12 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.16 1x19 s PRO 136 CO 0.02 0.11 1.29 -1.25 0.04 0.00 0.00 177.00 177.21 1x19 s PRO 137 N -0.73 2.68 -0.12 0.56 0.04 -1.06 -4.93 135.00 131.45 1x19 s PRO 137 Ca 0.48 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.52 1x19 s PRO 137 Cb -0.31 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 1x19 s PRO 137 CO 0.37 -1.50 -0.14 0.28 0.04 0.00 0.00 177.00 176.05 1x19 n VAL 138 N -1.77 0.64 -1.83 -0.36 0.31 -1.26 -4.78 118.33 109.29 1x19 n VAL 138 Ca 0.15 -0.18 -0.37 0.00 -0.01 0.00 0.00 64.34 63.93 1x19 n VAL 138 Cb 0.48 -1.51 0.05 0.00 -0.91 0.00 0.00 33.84 31.95 1x19 n VAL 138 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1x19 s THR 139 N -2.22 2.22 0.10 2.52 2.01 -1.26 -4.29 115.64 114.71 1x19 s THR 139 Ca -0.16 0.14 -0.25 0.00 0.31 0.00 0.00 61.69 61.73 1x19 s THR 139 Cb 0.06 -3.06 -0.12 0.00 0.01 0.00 0.00 72.50 69.39 1x19 s THR 139 CO 0.22 -0.02 1.69 -0.09 -0.69 0.00 0.00 174.62 175.72 1x19 h ARG 140 N 0.83 -0.25 -0.55 4.92 2.43 -1.97 0.71 114.38 120.50 1x19 h ARG 140 Ca -0.51 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 58.74 1x19 h ARG 140 Cb 1.32 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.89 1x19 h ARG 140 CO 0.54 -0.17 0.37 1.49 -1.51 0.00 0.00 179.97 180.69 1x19 h GLU 141 N -0.26 0.49 -0.17 0.20 4.81 -1.92 -0.01 114.58 117.72 1x19 h GLU 141 Ca 0.01 -0.03 -0.21 0.00 -0.13 0.00 0.00 59.36 59.00 1x19 h GLU 141 Cb 0.26 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.54 1x19 h GLU 141 CO -0.04 0.32 -0.71 -0.44 -0.73 0.00 0.00 179.01 177.41 1x19 h ASP 142 N 0.50 0.91 -0.61 1.04 3.32 -1.66 -1.36 116.42 118.56 1x19 h ASP 142 Ca 0.24 -0.62 -0.03 0.00 0.02 0.00 0.00 57.03 56.64 1x19 h ASP 142 Cb 0.30 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1x19 h ASP 142 CO -0.07 1.37 0.26 0.78 -1.72 0.00 0.00 179.24 179.87 1x19 h ASN 143 N 0.50 0.82 -0.94 6.45 2.35 -0.28 -2.36 115.58 122.11 1x19 h ASN 143 Ca -0.04 -0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.56 1x19 h ASN 143 Cb 1.34 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 39.45 1x19 h ASN 143 CO 0.15 0.74 0.62 0.25 -1.65 0.00 0.00 177.43 177.54 1x19 h LEU 144 N 0.84 1.08 -0.29 1.61 6.46 -0.86 0.29 115.31 124.43 1x19 h LEU 144 Ca 0.20 -0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.99 1x19 h LEU 144 Cb 0.17 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 39.78 1x19 h LEU 144 CO -0.02 0.79 -0.01 0.22 -0.62 0.00 0.00 178.44 178.80 1x19 h TYR 145 N 1.28 -0.03 -0.17 1.25 3.20 -0.75 -1.07 116.97 120.67 1x19 h TYR 145 Ca 0.34 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 62.05 1x19 h TYR 145 Cb -0.14 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 1x19 h TYR 145 CO -0.01 -0.06 -0.65 0.74 -1.64 0.00 0.00 178.16 176.54 1x19 h PHE 146 N 0.08 0.84 -0.36 -3.82 0.04 -0.91 -3.21 116.94 109.60 1x19 h PHE 146 Ca 0.14 -0.33 -0.07 0.00 2.80 0.00 0.00 57.97 60.51 1x19 h PHE 146 Cb 0.19 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 1x19 h PHE 146 CO -0.23 1.12 -0.06 0.93 -0.60 0.00 0.00 178.31 179.47 1x19 h GLU 147 N 0.47 0.58 -0.70 1.51 4.39 -0.73 -0.41 114.58 119.69 1x19 h GLU 147 Ca -0.02 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 1x19 h GLU 147 Cb 1.24 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.78 1x19 h GLU 147 CO 0.13 0.65 0.39 1.49 -1.16 0.00 0.00 179.01 180.51 1x19 h GLU 148 N 0.55 0.97 -0.24 2.33 4.81 -1.21 -0.67 114.58 121.12 1x19 h GLU 148 Ca 0.11 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1x19 h GLU 148 Cb 0.44 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1x19 h GLU 148 CO 0.02 0.72 -0.08 0.82 -0.73 0.00 0.00 179.01 179.76 1x19 h ILE 149 N 0.96 1.29 -0.69 2.32 2.04 -1.47 -2.39 117.51 119.58 1x19 h ILE 149 Ca 0.25 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 1x19 h ILE 149 Cb 0.03 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1x19 h ILE 149 CO -0.04 0.35 0.38 0.45 0.00 0.00 0.00 178.15 179.28 1x19 h HIS 150 N 0.22 0.94 0.00 1.37 3.86 -0.79 -2.29 115.15 118.47 1x19 h HIS 150 Ca 0.06 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.19 1x19 h HIS 150 Cb 0.57 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1x19 h HIS 150 CO 0.06 0.67 -0.25 0.07 0.86 0.00 0.00 177.93 179.33 1x19 h ARG 151 N 0.94 0.00 0.00 2.45 0.11 -1.16 -3.22 114.38 113.50 1x19 h ARG 151 Ca 0.24 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.32 1x19 h ARG 151 Cb 0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.12 1x19 h ARG 151 CO -0.04 0.25 0.00 0.43 0.10 0.00 0.00 179.97 180.72 1x19 n SER 152 N -3.28 0.05 -0.61 0.08 7.64 -0.86 -2.96 113.62 113.68 1x19 n SER 152 Ca 0.01 0.51 0.06 0.00 1.01 0.00 0.00 58.87 60.46 1x19 n SER 152 Cb 0.52 -0.52 0.13 0.00 -1.01 0.00 0.00 64.21 63.33 1x19 n SER 152 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1x19 n ASN 153 N -1.56 1.55 0.01 6.43 2.04 -1.21 -1.30 115.26 121.21 1x19 n ASN 153 Ca 0.05 -3.10 0.11 0.00 -0.44 0.00 0.00 54.58 51.20 1x19 n ASN 153 Cb 0.23 -0.42 0.12 0.00 -2.53 0.00 0.00 39.78 37.18 1x19 n ASN 153 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1x19 n ALA 154 N -0.77 3.67 -0.26 -2.53 0.00 -0.96 -4.57 120.51 115.09 1x19 n ALA 154 Ca 0.13 -0.40 -0.02 0.00 0.00 0.00 0.00 53.44 53.16 1x19 n ALA 154 Cb 0.76 -1.02 0.05 0.00 0.00 0.00 0.00 19.45 19.24 1x19 n ALA 154 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1x19 h LYS 155 N 0.00 -0.07 -0.00 0.00 3.64 -1.01 -1.79 116.57 117.34 1x19 h LYS 155 Ca 0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 1x19 h LYS 155 Cb 0.58 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1x19 h LYS 155 CO 0.00 -0.05 -0.61 0.74 -2.27 0.00 0.00 179.45 177.26 1x19 h PHE 156 N -0.07 0.02 -0.67 1.91 -1.00 -1.84 -0.37 116.94 114.92 1x19 h PHE 156 Ca 0.31 -0.01 -0.08 0.00 2.81 0.00 0.00 57.97 61.00 1x19 h PHE 156 Cb 0.56 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.10 1x19 h PHE 156 CO -0.66 0.62 0.11 0.00 -1.61 0.00 0.00 178.31 176.77 1x19 h ALA 157 N 1.38 0.89 0.32 2.45 0.00 -1.71 -1.04 119.26 121.54 1x19 h ALA 157 Ca -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1x19 h ALA 157 Cb 1.08 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1x19 h ALA 157 CO 0.08 0.65 -0.15 0.82 0.00 0.00 0.00 179.25 180.65 1x19 h ILE 158 N 1.03 0.71 -0.24 0.00 2.04 -0.71 -2.05 117.51 118.29 1x19 h ILE 158 Ca 0.20 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.93 1x19 h ILE 158 Cb 0.44 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 37.26 1x19 h ILE 158 CO 0.01 0.04 -0.29 -0.61 0.00 0.00 0.00 178.15 177.31 1x19 h GLN 159 N -0.53 -0.29 -0.61 2.37 5.75 -0.94 0.82 115.11 121.69 1x19 h GLN 159 Ca -0.04 0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.58 1x19 h GLN 159 Cb 0.39 0.07 -0.08 0.00 1.07 0.00 0.00 27.48 28.93 1x19 h GLN 159 CO 0.07 -0.19 0.20 1.25 -2.65 0.00 0.00 178.83 177.50 1x19 h LEU 160 N -0.30 0.15 -0.23 -2.39 5.85 -1.13 -1.85 115.31 115.41 1x19 h LEU 160 Ca 0.13 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1x19 h LEU 160 Cb 0.51 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1x19 h LEU 160 CO -0.41 0.09 0.15 -0.07 -0.34 0.00 0.00 178.44 177.86 1x19 h LEU 161 N 0.36 0.26 -1.32 2.25 -0.00 -0.56 -1.03 115.31 115.26 1x19 h LEU 161 Ca 0.31 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 58.16 1x19 h LEU 161 Cb 0.42 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 40.99 1x19 h LEU 161 CO -0.34 0.19 0.19 -0.07 -0.00 0.00 0.00 178.44 178.41 1x19 h LEU 162 N 0.30 0.59 0.00 1.67 3.38 -0.47 0.21 115.31 121.00 1x19 h LEU 162 Ca 0.08 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 1x19 h LEU 162 Cb -0.03 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1x19 h LEU 162 CO -0.02 0.53 -1.02 -0.33 0.09 0.00 0.00 178.44 177.69 1x19 h GLU 163 N 0.65 0.00 0.00 1.13 5.08 -1.17 -3.41 114.58 116.87 1x19 h GLU 163 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1x19 h GLU 163 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1x19 h GLU 163 CO -0.02 0.55 0.00 0.39 -1.00 0.00 0.00 179.01 178.93 1x19 n GLU 164 N -3.13 2.45 -2.25 2.33 -0.58 -0.41 -5.04 120.64 114.01 1x19 n GLU 164 Ca -0.04 -0.18 -0.41 0.00 -0.42 0.00 0.00 57.16 56.11 1x19 n GLU 164 Cb 0.85 -0.61 -0.03 0.00 -0.57 0.00 0.00 31.44 31.08 1x19 n GLU 164 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x19 s ALA 165 N -0.40 3.50 -0.56 0.62 0.00 0.72 -4.97 121.76 120.67 1x19 s ALA 165 Ca 0.00 1.08 -0.16 0.00 0.00 0.00 0.00 51.96 52.88 1x19 s ALA 165 Cb 0.00 -3.46 0.13 0.00 0.00 0.00 0.00 23.12 19.79 1x19 s ALA 165 CO 0.00 -0.49 0.53 0.15 0.00 0.00 0.00 175.76 175.95 1x19 s LYS 166 N -0.43 3.02 -0.10 0.00 1.02 -1.26 -4.90 119.74 117.10 1x19 s LYS 166 Ca 0.54 -1.71 0.16 0.00 0.02 0.00 0.00 55.97 54.99 1x19 s LYS 166 Cb -0.36 -4.30 0.36 0.00 -0.52 0.00 0.00 37.83 33.01 1x19 s LYS 166 CO 0.40 -1.35 1.17 1.28 -0.92 0.00 0.00 175.35 175.93 1x19 n LEU 167 N 5.30 1.72 -4.74 3.17 4.77 -1.26 -4.99 117.00 120.96 1x19 n LEU 167 Ca -0.12 -2.76 -0.42 0.00 -0.03 0.00 0.00 56.01 52.68 1x19 n LEU 167 Cb 0.41 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1x19 n LEU 167 CO 0.53 0.85 1.24 1.51 -1.33 0.00 0.00 177.39 180.20 1x19 s ASP 168 N -2.48 6.42 0.00 -1.43 1.47 -1.26 -1.72 116.67 117.68 1x19 s ASP 168 Ca 0.31 2.89 0.00 0.00 1.18 0.00 0.00 52.55 56.93 1x19 s ASP 168 Cb 0.33 -2.63 0.00 0.00 -0.34 0.00 0.00 42.92 40.28 1x19 s ASP 168 CO -0.09 -0.89 0.00 0.61 0.68 0.00 0.00 175.17 175.49 1x19 n GLY 169 N 2.44 1.28 3.71 2.12 0.00 -1.26 -5.00 105.19 108.48 1x19 n GLY 169 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1x19 n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x19 s VAL 170 N -3.71 5.07 -0.05 1.61 1.01 -0.70 -4.92 120.40 118.72 1x19 s VAL 170 Ca 0.00 1.35 -0.07 0.00 0.00 0.00 0.00 61.98 63.26 1x19 s VAL 170 Cb 0.00 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1x19 s VAL 170 CO 0.00 0.25 -0.15 1.17 0.00 0.00 0.00 175.10 176.37 1x19 n LYS 171 N 3.85 0.23 -3.64 2.72 3.00 -1.26 -3.99 118.16 119.08 1x19 n LYS 171 Ca -0.02 0.09 -0.38 0.00 -0.00 0.00 0.00 58.31 58.01 1x19 n LYS 171 Cb 0.51 -0.90 -0.11 0.00 0.00 0.00 0.00 35.03 34.53 1x19 n LYS 171 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1x19 s LYS 172 N -2.33 3.89 0.02 1.64 2.20 -1.26 -0.16 119.74 123.73 1x19 s LYS 172 Ca -0.13 -0.35 0.07 0.00 -0.36 0.00 0.00 55.97 55.19 1x19 s LYS 172 Cb 0.03 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.75 1x19 s LYS 172 CO 0.19 -0.16 -0.19 1.41 -0.36 0.00 0.00 175.35 176.24 1x19 s MET 173 N 1.67 2.14 -0.20 4.03 -2.45 0.61 0.11 119.30 125.21 1x19 s MET 173 Ca 0.07 -0.93 -0.04 0.00 -1.25 0.00 0.00 55.69 53.54 1x19 s MET 173 Cb -0.16 -2.20 -0.02 0.00 1.25 0.00 0.00 34.83 33.71 1x19 s MET 173 CO 0.09 0.56 -0.04 0.42 1.05 0.00 0.00 175.02 177.09 1x19 s ILE 174 N -0.85 3.54 -0.43 10.11 -1.09 -0.86 -1.69 121.20 129.94 1x19 s ILE 174 Ca 0.13 -0.45 -0.13 0.00 -2.23 0.00 0.00 60.65 57.98 1x19 s ILE 174 Cb -0.10 -2.59 0.06 0.00 -1.58 0.00 0.00 42.46 38.24 1x19 s ILE 174 CO 0.03 0.44 0.30 -0.62 -1.23 0.00 0.00 174.94 173.87 1x19 s ASP 175 N 1.08 5.90 -0.57 3.58 3.68 0.08 -1.79 116.67 128.62 1x19 s ASP 175 Ca 0.01 -1.25 -0.21 0.00 2.13 0.00 0.00 52.55 53.24 1x19 s ASP 175 Cb -0.15 -2.08 0.07 0.00 -1.45 0.00 0.00 42.92 39.31 1x19 s ASP 175 CO 0.00 -0.53 0.78 -0.69 0.13 0.00 0.00 175.17 174.86 1x19 s VAL 176 N 1.56 4.65 0.00 1.11 1.01 0.04 -0.58 120.40 128.19 1x19 s VAL 176 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1x19 s VAL 176 Cb -0.22 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.68 1x19 s VAL 176 CO 0.06 -1.10 0.00 0.61 0.00 0.00 0.00 175.10 174.67 1x19 n GLY 177 N 5.23 0.40 0.00 4.51 0.00 -1.24 -2.23 105.19 111.86 1x19 n GLY 177 Ca -0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.98 1x19 n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x19 n GLY 178 N -1.61 -0.16 7.00 -0.02 0.00 -1.26 -4.86 105.19 104.28 1x19 n GLY 178 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1x19 n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x19 n GLY 179 N -0.92 3.29 0.03 -0.02 0.00 -1.26 -1.98 105.19 104.33 1x19 n GLY 179 Ca 0.02 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.28 1x19 n GLY 179 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1x19 n ILE 180 N 0.00 0.89 -0.88 -0.61 3.06 -1.26 -4.78 119.36 115.78 1x19 n ILE 180 Ca 0.00 0.22 0.00 0.00 -2.50 0.00 0.00 62.75 60.47 1x19 n ILE 180 Cb 0.00 -1.00 0.00 0.00 0.54 0.00 0.00 39.64 39.18 1x19 n ILE 180 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1x19 n GLY 181 N 0.11 0.83 0.12 4.50 0.00 -0.84 -4.41 105.19 105.51 1x19 n GLY 181 Ca 0.03 -0.59 -0.02 0.00 0.00 0.00 0.00 46.02 45.44 1x19 n GLY 181 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1x19 h ASP 182 N 0.00 0.00 0.25 1.61 5.19 -1.91 -1.00 116.42 120.56 1x19 h ASP 182 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1x19 h ASP 182 Cb 0.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1x19 h ASP 182 CO 0.00 0.68 -0.12 0.40 -3.12 0.00 0.00 179.24 177.08 1x19 h ILE 183 N 0.00 0.73 -0.96 0.35 2.04 -1.93 -2.15 117.51 115.58 1x19 h ILE 183 Ca -0.01 -0.83 0.07 0.00 1.00 0.00 0.00 64.86 65.10 1x19 h ILE 183 Cb 1.23 1.14 -0.07 0.00 -0.74 0.00 0.00 36.82 38.38 1x19 h ILE 183 CO 0.09 0.16 0.62 0.28 0.00 0.00 0.00 178.15 179.30 1x19 h SER 184 N -0.82 0.97 0.09 1.72 0.02 -1.91 -2.26 113.55 111.36 1x19 h SER 184 Ca -0.03 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1x19 h SER 184 Cb 0.51 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1x19 h SER 184 CO 0.06 0.61 -0.04 0.00 -1.14 0.00 0.00 176.83 176.31 1x19 h ALA 185 N 1.49 -0.12 -0.74 3.77 0.00 -1.13 -1.23 119.26 121.30 1x19 h ALA 185 Ca 0.42 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.41 1x19 h ALA 185 Cb 0.22 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 1x19 h ALA 185 CO -0.17 -0.54 0.30 0.00 0.00 0.00 0.00 179.25 178.84 1x19 h ALA 186 N 0.73 1.02 -0.29 0.00 0.00 -0.88 0.52 119.26 120.37 1x19 h ALA 186 Ca -0.01 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1x19 h ALA 186 Cb 0.14 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1x19 h ALA 186 CO 0.02 -0.19 0.06 0.52 0.00 0.00 0.00 179.25 179.66 1x19 h MET 187 N 0.45 0.41 0.00 0.00 2.86 -0.89 -1.55 114.93 116.22 1x19 h MET 187 Ca 0.40 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.93 1x19 h MET 187 Cb 0.58 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1x19 h MET 187 CO -0.38 0.39 -0.22 -0.07 1.06 0.00 0.00 176.91 177.69 1x19 h LEU 188 N 0.41 0.00 -0.35 1.22 4.07 0.30 -1.68 115.31 119.27 1x19 h LEU 188 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1x19 h LEU 188 Cb 0.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1x19 h LEU 188 CO -0.00 0.22 0.00 0.11 -1.08 0.00 0.00 178.44 177.69 1x19 h LYS 189 N 0.00 0.00 -0.02 1.13 1.79 -1.02 -3.28 116.57 115.17 1x19 h LYS 189 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1x19 h LYS 189 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1x19 h LYS 189 CO 0.03 0.00 -0.05 0.72 -1.08 0.00 0.00 179.45 179.07 1x19 n HIS 190 N -2.83 0.00 -3.54 -1.35 8.25 -0.71 -4.75 115.22 110.29 1x19 n HIS 190 Ca 0.04 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.21 1x19 n HIS 190 Cb 0.44 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.43 1x19 n HIS 190 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1x19 s PHE 191 N -1.32 1.33 0.57 4.41 0.40 -0.74 -5.02 117.98 117.61 1x19 s PHE 191 Ca 0.16 -2.13 0.39 0.00 -0.60 0.00 0.00 56.93 54.75 1x19 s PHE 191 Cb 0.12 -1.29 1.45 0.00 0.51 0.00 0.00 43.02 43.82 1x19 s PHE 191 CO 0.22 -0.80 1.59 -1.35 0.70 0.00 0.00 175.22 175.58 1x19 h PRO 192 N 6.48 0.00 -0.00 0.24 0.11 -1.85 0.09 132.00 137.06 1x19 h PRO 192 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1x19 h PRO 192 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1x19 h PRO 192 CO 0.38 0.00 -0.77 0.39 -0.21 0.00 0.00 178.00 177.79 1x19 n GLU 193 N -3.78 1.07 -2.21 1.05 1.02 -1.26 -4.98 120.64 111.55 1x19 n GLU 193 Ca 0.30 -0.18 -0.36 0.00 -0.02 0.00 0.00 57.16 56.91 1x19 n GLU 193 Cb 1.56 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 31.62 1x19 n GLU 193 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1x19 s LEU 194 N -2.74 3.84 -0.04 -4.62 2.96 0.02 -4.46 118.68 113.63 1x19 s LEU 194 Ca 0.09 2.28 -0.00 0.00 -0.22 0.00 0.00 54.13 56.27 1x19 s LEU 194 Cb 0.14 -4.44 0.03 0.00 0.50 0.00 0.00 46.19 42.42 1x19 s LEU 194 CO 0.70 -1.16 -0.00 -0.62 -1.32 0.00 0.00 176.35 173.94 1x19 s ASP 195 N -1.55 0.84 -0.10 3.68 -1.08 0.77 -4.95 116.67 114.28 1x19 s ASP 195 Ca 0.70 -0.05 0.04 0.00 -0.52 0.00 0.00 52.55 52.72 1x19 s ASP 195 Cb -0.27 -0.30 0.00 0.00 -1.46 0.00 0.00 42.92 40.89 1x19 s ASP 195 CO 0.32 -0.13 -0.24 -0.55 0.52 0.00 0.00 175.17 175.09 1x19 s SER 196 N 1.32 3.03 -0.25 -0.34 0.15 0.96 -0.29 113.70 118.27 1x19 s SER 196 Ca -0.05 -0.55 -0.03 0.00 0.70 0.00 0.00 55.95 56.02 1x19 s SER 196 Cb -0.13 -1.36 0.01 0.00 -1.71 0.00 0.00 66.02 62.84 1x19 s SER 196 CO -0.02 0.16 -0.03 -0.89 1.20 0.00 0.00 173.24 173.66 1x19 s THR 197 N 0.33 3.22 -0.23 6.45 2.01 -0.68 -2.10 115.64 124.63 1x19 s THR 197 Ca -0.18 -0.84 -0.19 0.00 0.31 0.00 0.00 61.69 60.79 1x19 s THR 197 Cb -0.18 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 1x19 s THR 197 CO 0.09 0.22 0.56 -0.63 -0.69 0.00 0.00 174.62 174.17 1x19 s ILE 198 N 1.40 5.05 -0.30 1.82 1.09 0.75 -0.74 121.20 130.27 1x19 s ILE 198 Ca 0.02 1.01 -0.28 0.00 -1.10 0.00 0.00 60.65 60.30 1x19 s ILE 198 Cb -0.16 -3.88 0.01 0.00 -1.06 0.00 0.00 42.46 37.37 1x19 s ILE 198 CO -0.03 0.10 1.02 -0.76 -0.10 0.00 0.00 174.94 175.17 1x19 s LEU 199 N 2.12 3.99 0.28 2.97 1.43 0.25 -0.94 118.68 128.80 1x19 s LEU 199 Ca 0.24 1.06 0.01 0.00 -1.03 0.00 0.00 54.13 54.41 1x19 s LEU 199 Cb -0.16 -3.46 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 1x19 s LEU 199 CO 0.09 -0.79 0.29 0.21 0.23 0.00 0.00 176.35 176.39 1x19 s ASN 200 N 1.55 0.87 0.46 2.29 3.84 -0.65 -3.67 114.94 119.63 1x19 s ASN 200 Ca 0.43 -1.51 -0.23 0.00 0.21 0.00 0.00 52.86 51.76 1x19 s ASN 200 Cb -0.13 0.53 -0.07 0.00 -0.55 0.00 0.00 41.25 41.03 1x19 s ASN 200 CO 0.13 -1.05 1.22 -0.76 -2.79 0.00 0.00 177.10 173.85 1x19 s LEU 201 N -3.24 4.03 0.29 3.21 1.43 -1.26 -2.91 118.68 120.22 1x19 s LEU 201 Ca 0.36 2.45 0.03 0.00 -1.03 0.00 0.00 54.13 55.94 1x19 s LEU 201 Cb 0.03 -4.17 0.70 0.00 0.03 0.00 0.00 46.19 42.77 1x19 s LEU 201 CO 0.19 -1.00 1.68 -0.65 0.23 0.00 0.00 176.35 176.80 1x19 h PRO 202 N 2.09 0.33 0.00 1.29 0.11 -1.94 0.25 132.00 134.13 1x19 h PRO 202 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1x19 h PRO 202 Cb 1.26 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1x19 h PRO 202 CO 0.60 0.22 0.00 0.41 -0.21 0.00 0.00 178.00 179.02 1x19 n GLY 203 N -1.35 -1.02 0.00 -0.55 0.00 -1.26 -3.05 105.19 97.97 1x19 n GLY 203 Ca 0.21 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.22 1x19 n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x19 n ALA 204 N -1.31 3.64 -0.24 4.61 0.00 0.86 -4.56 120.51 123.51 1x19 n ALA 204 Ca 0.09 -0.45 0.04 0.00 0.00 0.00 0.00 53.44 53.13 1x19 n ALA 204 Cb 0.18 -0.60 0.16 0.00 0.00 0.00 0.00 19.45 19.18 1x19 n ALA 204 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1x19 h ILE 205 N 0.00 0.45 -0.02 0.00 1.08 -1.50 0.11 117.51 117.63 1x19 h ILE 205 Ca 0.00 -0.06 -0.07 0.00 -0.39 0.00 0.00 64.86 64.34 1x19 h ILE 205 Cb 0.54 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 34.54 1x19 h ILE 205 CO 0.00 0.03 -0.32 0.44 -0.69 0.00 0.00 178.15 177.61 1x19 h ASP 206 N 0.18 0.04 -0.13 1.72 3.45 -1.82 -1.28 116.42 118.57 1x19 h ASP 206 Ca 0.39 -0.01 -0.18 0.00 0.43 0.00 0.00 57.03 57.66 1x19 h ASP 206 Cb 0.68 -0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 39.44 1x19 h ASP 206 CO -0.56 0.36 -0.57 -0.07 -1.57 0.00 0.00 179.24 176.83 1x19 h LEU 207 N 0.03 0.82 -0.33 1.55 3.38 -1.10 -0.99 115.31 118.68 1x19 h LEU 207 Ca 0.00 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1x19 h LEU 207 Cb 0.59 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1x19 h LEU 207 CO 0.04 1.21 0.16 0.58 0.09 0.00 0.00 178.44 180.53 1x19 h VAL 208 N 0.55 1.16 -0.20 1.22 2.07 -0.89 -0.91 116.25 119.26 1x19 h VAL 208 Ca 0.01 -0.46 -0.13 0.00 0.82 0.00 0.00 66.70 66.94 1x19 h VAL 208 Cb 1.16 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1x19 h VAL 208 CO 0.12 0.17 -0.44 0.78 0.02 0.00 0.00 177.57 178.21 1x19 h ASN 209 N 0.40 0.53 0.19 0.57 2.35 -1.10 0.86 115.58 119.38 1x19 h ASN 209 Ca 0.11 -0.24 -0.14 0.00 -0.55 0.00 0.00 56.30 55.48 1x19 h ASN 209 Cb 0.12 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1x19 h ASN 209 CO -0.01 0.90 -0.52 -0.33 -1.65 0.00 0.00 177.43 175.82 1x19 h GLU 210 N 0.40 0.36 -0.43 0.81 5.08 -1.06 -1.25 114.58 118.49 1x19 h GLU 210 Ca 0.03 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 1x19 h GLU 210 Cb 0.93 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1x19 h GLU 210 CO 0.08 0.80 0.09 -0.97 -1.00 0.00 0.00 179.01 178.01 1x19 h ASN 211 N 0.29 0.67 -0.51 1.42 -1.24 -0.38 0.73 115.58 116.55 1x19 h ASN 211 Ca 0.01 -0.25 0.06 0.00 0.71 0.00 0.00 56.30 56.83 1x19 h ASN 211 Cb 1.01 -0.18 -0.05 0.00 0.73 0.00 0.00 38.32 39.83 1x19 h ASN 211 CO 0.09 0.75 0.23 0.00 -1.29 0.00 0.00 177.43 177.20 1x19 h ALA 212 N 0.95 0.64 -0.03 1.57 0.00 -0.51 -0.84 119.26 121.04 1x19 h ALA 212 Ca 0.13 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1x19 h ALA 212 Cb 0.35 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1x19 h ALA 212 CO 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 179.25 179.13 1x19 h ALA 213 N 1.31 0.04 -0.97 0.00 0.00 -0.96 0.16 119.26 118.83 1x19 h ALA 213 Ca 0.24 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1x19 h ALA 213 Cb 0.20 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1x19 h ALA 213 CO -0.20 -0.45 0.63 0.93 0.00 0.00 0.00 179.25 180.16 1x19 h GLU 214 N 0.00 1.17 -0.69 0.00 5.08 -0.39 -1.09 114.58 118.67 1x19 h GLU 214 Ca 0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1x19 h GLU 214 Cb 0.03 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.02 1x19 h GLU 214 CO -0.00 0.77 0.00 1.63 -1.00 0.00 0.00 179.01 180.41 1x19 n LYS 215 N -4.48 2.20 -3.32 2.33 5.02 -0.36 -4.92 118.16 114.62 1x19 n LYS 215 Ca 0.13 -1.09 -0.24 0.00 -2.02 0.00 0.00 58.31 55.09 1x19 n LYS 215 Cb 0.11 -1.62 0.02 0.00 -0.02 0.00 0.00 35.03 33.51 1x19 n LYS 215 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x19 n GLY 216 N 0.42 -0.50 1.17 0.72 0.00 -0.41 -4.88 105.19 101.70 1x19 n GLY 216 Ca 0.10 0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.28 1x19 n GLY 216 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1x19 n VAL 217 N -4.27 0.94 0.16 1.61 0.24 -0.01 -4.86 118.33 112.14 1x19 n VAL 217 Ca -0.04 -1.98 0.19 0.00 -2.04 0.00 0.00 64.34 60.47 1x19 n VAL 217 Cb 0.57 0.48 0.78 0.00 -1.47 0.00 0.00 33.84 34.20 1x19 n VAL 217 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x19 h ALA 218 N 1.04 1.89 -0.01 2.33 0.00 -1.79 0.71 119.26 123.44 1x19 h ALA 218 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1x19 h ALA 218 Cb 1.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1x19 h ALA 218 CO 0.07 -0.52 -0.37 -0.40 0.00 0.00 0.00 179.25 178.02 1x19 n ASP 219 N -3.54 1.05 0.00 0.00 5.68 -1.26 -4.10 116.55 114.38 1x19 n ASP 219 Ca 0.04 -0.85 0.00 0.00 -0.50 0.00 0.00 54.79 53.48 1x19 n ASP 219 Cb 0.52 0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.75 1x19 n ASP 219 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1x19 n ARG 220 N -0.78 2.99 -3.80 0.11 1.74 -0.15 -5.03 116.66 111.74 1x19 n ARG 220 Ca 0.10 -0.19 -0.13 0.00 -0.77 0.00 0.00 57.85 56.85 1x19 n ARG 220 Cb 0.36 -0.65 -0.14 0.00 -1.02 0.00 0.00 32.46 31.00 1x19 n ARG 220 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1x19 s MET 221 N -0.48 0.05 0.18 5.56 1.75 0.06 -0.03 119.30 126.38 1x19 s MET 221 Ca 0.00 0.20 -0.19 0.00 -1.25 0.00 0.00 55.69 54.45 1x19 s MET 221 Cb 0.00 -0.11 0.04 0.00 2.84 0.00 0.00 34.83 37.60 1x19 s MET 221 CO 0.00 -0.10 0.53 -0.98 -0.65 0.00 0.00 175.02 173.82 1x19 s ARG 222 N 0.68 1.33 0.11 4.11 1.70 -0.89 -4.59 118.95 121.40 1x19 s ARG 222 Ca -0.05 -0.75 0.02 0.00 -0.47 0.00 0.00 55.73 54.47 1x19 s ARG 222 Cb -0.07 0.54 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 1x19 s ARG 222 CO -0.03 -0.57 0.25 0.20 -1.08 0.00 0.00 175.30 174.08 1x19 s GLY 223 N -2.83 1.89 -0.05 3.88 0.00 -1.26 -0.17 107.32 108.77 1x19 s GLY 223 Ca 0.06 -0.96 -0.03 0.00 0.00 0.00 0.00 44.72 43.80 1x19 s GLY 223 CO -0.06 -0.95 0.12 -1.50 0.00 0.00 0.00 173.10 170.71 1x19 s ILE 224 N -1.65 -0.04 -0.46 0.90 2.07 -0.11 -4.86 121.20 117.04 1x19 s ILE 224 Ca 0.35 0.15 -0.29 0.00 -1.41 0.00 0.00 60.65 59.44 1x19 s ILE 224 Cb -0.12 -0.20 0.03 0.00 0.13 0.00 0.00 42.46 42.29 1x19 s ILE 224 CO 0.28 0.06 1.19 0.00 -1.91 0.00 0.00 174.94 174.56 1x19 s ALA 225 N 0.91 3.15 0.00 1.50 0.00 -1.26 -1.64 121.76 124.43 1x19 s ALA 225 Ca -0.07 -0.40 -0.05 0.00 0.00 0.00 0.00 51.96 51.44 1x19 s ALA 225 Cb -0.09 -3.90 -0.00 0.00 0.00 0.00 0.00 23.12 19.13 1x19 s ALA 225 CO -0.04 -2.25 0.09 0.08 0.00 0.00 0.00 175.76 173.64 1x19 s VAL 226 N 4.60 0.08 -0.42 0.00 1.01 -1.15 -4.94 120.40 119.59 1x19 s VAL 226 Ca 0.50 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.68 1x19 s VAL 226 Cb -0.08 -0.36 0.03 0.00 0.00 0.00 0.00 36.38 35.97 1x19 s VAL 226 CO 0.31 -0.36 0.31 -0.62 0.00 0.00 0.00 175.10 174.74 1x19 s ASP 227 N -1.22 6.09 0.00 3.32 2.15 -1.26 -4.24 116.67 121.51 1x19 s ASP 227 Ca -0.13 -0.96 0.06 0.00 0.43 0.00 0.00 52.55 51.94 1x19 s ASP 227 Cb -0.07 -2.15 0.33 0.00 -0.30 0.00 0.00 42.92 40.73 1x19 s ASP 227 CO 0.01 -0.47 0.86 2.30 -0.17 0.00 0.00 175.17 177.69 1x19 n ILE 228 N 5.15 0.19 -0.03 4.11 -5.35 -1.26 -2.43 119.36 119.74 1x19 n ILE 228 Ca -0.11 0.05 -0.06 0.00 -0.27 0.00 0.00 62.75 62.35 1x19 n ILE 228 Cb 0.46 -0.96 -0.02 0.00 -1.74 0.00 0.00 39.64 37.39 1x19 n ILE 228 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1x19 n TYR 229 N -1.06 0.00 -0.03 4.28 4.02 -1.26 -4.82 117.16 118.28 1x19 n TYR 229 Ca 0.04 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.79 1x19 n TYR 229 Cb 0.02 -0.31 -0.10 0.00 -0.02 0.00 0.00 39.34 38.93 1x19 n TYR 229 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1x19 h LYS 230 N -0.58 0.11 -7.14 -0.72 3.64 -1.99 -3.47 116.57 106.42 1x19 h LYS 230 Ca -0.03 -0.09 -0.50 0.00 -1.27 0.00 0.00 60.65 58.76 1x19 h LYS 230 Cb 0.63 0.02 0.05 0.00 -0.41 0.00 0.00 32.23 32.52 1x19 h LYS 230 CO -0.02 0.75 0.26 -1.21 -2.27 0.00 0.00 179.45 176.97 1x19 s GLU 231 N -3.56 3.58 0.78 1.90 2.02 -1.02 -5.08 118.70 117.32 1x19 s GLU 231 Ca -0.16 0.48 -0.11 0.00 0.02 0.00 0.00 54.97 55.20 1x19 s GLU 231 Cb 0.01 -2.23 0.06 0.00 0.10 0.00 0.00 34.13 32.07 1x19 s GLU 231 CO 0.71 -0.38 1.08 -1.12 0.02 0.00 0.00 175.26 175.58 1x19 s SER 232 N -4.11 4.60 0.08 -0.19 0.01 -1.26 -4.80 113.70 108.03 1x19 s SER 232 Ca 0.51 1.48 0.03 0.00 1.31 0.00 0.00 55.95 59.29 1x19 s SER 232 Cb -0.11 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 1x19 s SER 232 CO 0.49 -1.92 0.05 -0.31 0.41 0.00 0.00 173.24 171.96 1x19 s TYR 233 N -3.06 3.13 0.59 2.43 2.02 -1.26 -5.00 117.35 116.19 1x19 s TYR 233 Ca 0.60 0.05 -0.20 0.00 -0.37 0.00 0.00 57.07 57.15 1x19 s TYR 233 Cb -0.15 -1.60 -0.04 0.00 -0.40 0.00 0.00 41.96 39.77 1x19 s TYR 233 CO 0.55 0.51 1.25 -2.30 -1.57 0.00 0.00 175.55 173.99 1x19 n PRO 234 N 0.53 1.32 -1.72 -1.71 -0.02 -1.26 -4.83 135.00 127.31 1x19 n PRO 234 Ca -0.09 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.46 1x19 n PRO 234 Cb 0.52 -2.46 -0.01 0.00 -0.02 0.00 0.00 33.50 31.52 1x19 n PRO 234 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1x19 n GLU 235 N -1.29 2.39 -4.07 -0.52 0.00 -1.26 -4.90 120.64 110.98 1x19 n GLU 235 Ca 0.13 0.84 -0.10 0.00 0.00 0.00 0.00 57.16 58.03 1x19 n GLU 235 Cb 0.46 -2.52 -0.07 0.00 0.00 0.00 0.00 31.44 29.31 1x19 n GLU 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x19 s ALA 236 N -0.69 0.28 -0.87 -1.84 0.00 -1.20 -4.98 121.76 112.47 1x19 s ALA 236 Ca 0.59 -1.18 0.24 0.00 0.00 0.00 0.00 51.96 51.61 1x19 s ALA 236 Cb -0.54 1.18 0.36 0.00 0.00 0.00 0.00 23.12 24.12 1x19 s ALA 236 CO 0.58 -0.75 1.31 -0.25 0.00 0.00 0.00 175.76 176.64 1x19 n ASP 237 N -0.34 0.58 -3.59 0.00 8.00 0.29 -4.51 116.55 116.99 1x19 n ASP 237 Ca -0.00 -0.21 -0.06 0.00 0.71 0.00 0.00 54.79 55.22 1x19 n ASP 237 Cb 0.63 0.36 -0.02 0.00 -0.02 0.00 0.00 41.12 42.08 1x19 n ASP 237 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x19 s ALA 238 N -3.06 -1.78 -0.08 2.24 0.00 -1.04 -1.41 121.76 116.62 1x19 s ALA 238 Ca 0.09 0.71 -0.03 0.00 0.00 0.00 0.00 51.96 52.72 1x19 s ALA 238 Cb 0.16 0.49 0.05 0.00 0.00 0.00 0.00 23.12 23.81 1x19 s ALA 238 CO 0.73 -0.82 0.14 0.08 0.00 0.00 0.00 175.76 175.89 1x19 s VAL 239 N -3.15 -0.22 -0.28 0.00 1.01 -0.87 -2.03 120.40 114.86 1x19 s VAL 239 Ca 0.08 0.34 -0.09 0.00 0.00 0.00 0.00 61.98 62.31 1x19 s VAL 239 Cb -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 1x19 s VAL 239 CO -0.05 0.13 0.11 -0.22 0.00 0.00 0.00 175.10 175.07 1x19 s LEU 240 N 2.26 3.79 -0.78 3.92 2.96 -0.74 -1.29 118.68 128.80 1x19 s LEU 240 Ca 0.04 -0.35 -0.18 0.00 -0.22 0.00 0.00 54.13 53.42 1x19 s LEU 240 Cb -0.12 -1.97 0.15 0.00 0.50 0.00 0.00 46.19 44.74 1x19 s LEU 240 CO -0.05 -0.11 0.87 -0.36 -1.32 0.00 0.00 176.35 175.38 1x19 s PHE 241 N 1.62 3.25 -0.74 5.38 0.08 0.15 -0.78 117.98 126.94 1x19 s PHE 241 Ca 0.05 -1.39 -0.27 0.00 0.12 0.00 0.00 56.93 55.44 1x19 s PHE 241 Cb -0.16 -4.06 0.03 0.00 -0.57 0.00 0.00 43.02 38.26 1x19 s PHE 241 CO 0.05 -1.28 1.27 0.00 -0.10 0.00 0.00 175.22 175.16 1x19 n ARG 243 N 9.32 -1.19 0.00 0.00 1.74 0.22 -4.39 116.66 122.37 1x19 n ARG 243 Ca 0.03 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 1x19 n ARG 243 Cb 0.49 -3.56 0.00 0.00 -1.02 0.00 0.00 32.46 28.37 1x19 n ARG 243 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1x19 n ILE 244 N -4.58 0.00 0.33 0.55 3.06 -1.26 -4.89 119.36 112.57 1x19 n ILE 244 Ca -0.16 0.00 0.14 0.00 -2.50 0.00 0.00 62.75 60.23 1x19 n ILE 244 Cb 0.61 -0.09 0.39 0.00 0.54 0.00 0.00 39.64 41.09 1x19 n ILE 244 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 1x19 h LEU 245 N 0.00 0.00 -1.62 9.51 4.07 -1.89 -3.34 115.31 122.04 1x19 h LEU 245 Ca 0.00 0.00 0.10 0.00 0.08 0.00 0.00 57.88 58.06 1x19 h LEU 245 Cb 0.17 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.88 1x19 h LEU 245 CO 0.00 0.00 0.41 0.10 -1.08 0.00 0.00 178.44 177.87 1x19 h TYR 246 N 0.00 0.45 0.00 1.13 -0.00 -1.91 -2.03 116.97 114.61 1x19 h TYR 246 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.74 1x19 h TYR 246 Cb 0.74 -0.15 0.00 0.00 -0.00 0.00 0.00 36.73 37.33 1x19 h TYR 246 CO 0.00 0.21 -0.13 -1.13 -0.00 0.00 0.00 178.16 177.12 1x19 n SER 247 N -4.47 0.55 -4.76 0.10 3.41 -1.25 -4.74 113.62 102.46 1x19 n SER 247 Ca 0.10 0.43 -0.40 0.00 -0.26 0.00 0.00 58.87 58.74 1x19 n SER 247 Cb 0.37 -0.50 -0.04 0.00 -0.26 0.00 0.00 64.21 63.78 1x19 n SER 247 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x19 s ALA 248 N -3.08 3.38 0.88 7.33 0.00 -0.76 -2.40 121.76 127.12 1x19 s ALA 248 Ca 0.11 0.88 -0.12 0.00 0.00 0.00 0.00 51.96 52.83 1x19 s ALA 248 Cb 0.15 -3.32 0.12 0.00 0.00 0.00 0.00 23.12 20.07 1x19 s ALA 248 CO 0.60 -0.16 1.15 0.54 0.00 0.00 0.00 175.76 177.90 1x19 s ASN 249 N -0.93 3.78 0.37 0.00 2.20 -1.26 -4.79 114.94 114.31 1x19 s ASN 249 Ca 0.45 0.91 0.12 0.00 -0.94 0.00 0.00 52.86 53.40 1x19 s ASN 249 Cb -0.31 -1.45 0.93 0.00 -2.00 0.00 0.00 41.25 38.41 1x19 s ASN 249 CO 0.40 -2.37 1.83 -0.33 -2.94 0.00 0.00 177.10 173.69 1x19 h GLU 250 N -1.38 0.56 -0.09 3.55 5.08 -1.96 -2.55 114.58 117.79 1x19 h GLU 250 Ca -0.49 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 57.78 1x19 h GLU 250 Cb 1.33 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1x19 h GLU 250 CO 0.63 0.37 -0.17 0.37 -1.00 0.00 0.00 179.01 179.21 1x19 h GLN 251 N 0.58 0.28 0.00 2.33 5.75 -1.99 -1.46 115.11 120.60 1x19 h GLN 251 Ca 0.50 -0.18 -0.05 0.00 -0.15 0.00 0.00 58.65 58.78 1x19 h GLN 251 Cb 1.01 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.57 1x19 h GLN 251 CO -0.25 0.76 -0.25 1.37 -2.65 0.00 0.00 178.83 177.82 1x19 h LEU 252 N -0.17 0.00 -0.74 -2.39 -0.00 -1.92 -1.87 115.31 108.22 1x19 h LEU 252 Ca 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.86 1x19 h LEU 252 Cb 0.74 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.37 1x19 h LEU 252 CO 0.04 0.25 0.35 0.28 -0.00 0.00 0.00 178.44 179.36 1x19 h SER 253 N 0.00 0.98 0.39 0.17 0.02 -1.44 0.29 113.55 113.95 1x19 h SER 253 Ca -0.00 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 1x19 h SER 253 Cb 1.06 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1x19 h SER 253 CO 0.03 0.84 -0.19 0.74 -1.14 0.00 0.00 176.83 177.12 1x19 h THR 254 N 1.05 0.63 -0.18 -2.27 2.02 -0.92 0.11 112.91 113.35 1x19 h THR 254 Ca 0.26 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.39 1x19 h THR 254 Cb 0.12 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1x19 h THR 254 CO -0.03 0.01 0.12 -0.29 0.37 0.00 0.00 175.52 175.71 1x19 h ILE 255 N -0.56 0.96 0.24 3.11 6.09 -0.96 0.42 117.51 126.81 1x19 h ILE 255 Ca -0.05 -0.03 -0.01 0.00 -1.37 0.00 0.00 64.86 63.39 1x19 h ILE 255 Cb 0.42 0.86 0.00 0.00 0.47 0.00 0.00 36.82 38.58 1x19 h ILE 255 CO 0.09 0.02 -0.12 0.24 -3.07 0.00 0.00 178.15 175.31 1x19 h MET 256 N 0.09 -0.31 0.00 2.19 2.86 -0.01 -0.58 114.93 119.17 1x19 h MET 256 Ca 0.08 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1x19 h MET 256 Cb 0.20 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 1x19 h MET 256 CO -0.01 0.04 -0.02 0.00 1.06 0.00 0.00 176.91 177.98 1x19 h LYS 258 N 0.00 0.25 -0.96 0.00 3.64 -0.79 -0.41 116.57 118.30 1x19 h LYS 258 Ca -0.00 -0.24 0.22 0.00 -1.27 0.00 0.00 60.65 59.37 1x19 h LYS 258 Cb 0.06 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 31.86 1x19 h LYS 258 CO 0.00 0.93 0.63 0.87 -2.27 0.00 0.00 179.45 179.61 1x19 h LYS 259 N -0.34 0.42 -0.10 1.90 1.57 -0.01 0.52 116.57 120.53 1x19 h LYS 259 Ca -0.03 -0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 58.50 1x19 h LYS 259 Cb 1.02 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.24 1x19 h LYS 259 CO 0.06 0.28 -0.83 0.00 -0.57 0.00 0.00 179.45 178.38 1x19 h ALA 260 N 1.61 0.32 -0.02 3.86 0.00 -1.21 -2.64 119.26 121.18 1x19 h ALA 260 Ca 0.52 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1x19 h ALA 260 Cb 1.27 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1x19 h ALA 260 CO -0.23 0.71 0.00 0.35 0.00 0.00 0.00 179.25 180.08 1x19 h PHE 261 N 0.45 0.04 0.00 0.00 3.04 0.12 -1.56 116.94 119.03 1x19 h PHE 261 Ca -0.07 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.88 1x19 h PHE 261 Cb 1.46 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.96 1x19 h PHE 261 CO 0.08 0.32 0.00 -0.44 -2.02 0.00 0.00 178.31 176.25 1x19 h ASP 262 N -0.25 0.00 0.93 0.41 3.32 -0.20 -1.32 116.42 119.31 1x19 h ASP 262 Ca 0.01 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.86 1x19 h ASP 262 Cb 0.30 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 1x19 h ASP 262 CO 0.00 0.00 -1.15 0.00 -1.72 0.00 0.00 179.24 176.38 1x19 h ALA 263 N 2.02 0.59 -1.65 3.45 0.00 -0.99 -3.47 119.26 119.20 1x19 h ALA 263 Ca 0.00 -0.93 -0.44 0.00 0.00 0.00 0.00 54.91 53.54 1x19 h ALA 263 Cb 0.11 0.10 0.04 0.00 0.00 0.00 0.00 17.79 18.05 1x19 h ALA 263 CO 0.00 1.13 -0.07 -1.64 0.00 0.00 0.00 179.25 178.67 1x19 s MET 264 N -2.78 2.49 0.40 0.00 -1.94 -0.50 -3.23 119.30 113.75 1x19 s MET 264 Ca -0.00 -0.95 0.00 0.00 -1.71 0.00 0.00 55.69 53.02 1x19 s MET 264 Cb 0.09 -2.53 -0.00 0.00 2.01 0.00 0.00 34.83 34.39 1x19 s MET 264 CO 0.80 -0.71 0.01 0.54 -0.01 0.00 0.00 175.02 175.65 1x19 n ARG 265 N -2.29 0.99 -1.57 2.03 5.12 -1.26 -4.96 116.66 114.72 1x19 n ARG 265 Ca 0.09 -2.95 -0.47 0.00 -1.93 0.00 0.00 57.85 52.59 1x19 n ARG 265 Cb 0.60 0.85 -0.03 0.00 -1.16 0.00 0.00 32.46 32.72 1x19 n ARG 265 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1x19 n SER 266 N -1.28 1.08 0.00 0.55 2.88 -1.26 -0.63 113.62 114.96 1x19 n SER 266 Ca -0.16 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1x19 n SER 266 Cb 0.51 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 1x19 n SER 266 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x19 n GLY 267 N 1.68 2.80 3.74 0.46 0.00 0.95 -4.98 105.19 109.84 1x19 n GLY 267 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1x19 n GLY 267 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x19 n GLY 268 N -2.00 0.86 3.92 -0.02 0.00 0.20 -4.61 105.19 103.54 1x19 n GLY 268 Ca 0.00 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 1x19 n GLY 268 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x19 s ARG 269 N -2.19 3.51 -0.09 1.61 1.81 -0.50 -0.88 118.95 122.23 1x19 s ARG 269 Ca 0.58 -0.33 0.02 0.00 -1.72 0.00 0.00 55.73 54.28 1x19 s ARG 269 Cb -0.49 -2.92 0.01 0.00 -0.45 0.00 0.00 34.95 31.10 1x19 s ARG 269 CO 0.60 0.50 -0.14 -1.17 -0.68 0.00 0.00 175.30 174.41 1x19 s LEU 270 N -2.85 1.70 -0.03 2.53 1.98 -0.10 -2.04 118.68 119.87 1x19 s LEU 270 Ca 0.38 -0.37 0.03 0.00 -2.89 0.00 0.00 54.13 51.28 1x19 s LEU 270 Cb -0.12 -0.99 0.00 0.00 0.66 0.00 0.00 46.19 45.75 1x19 s LEU 270 CO 0.27 0.04 -0.12 -0.76 -1.89 0.00 0.00 176.35 173.89 1x19 s LEU 271 N 0.78 1.84 -0.15 -0.68 1.02 -0.41 -1.89 118.68 119.18 1x19 s LEU 271 Ca -0.12 -0.25 -0.01 0.00 0.02 0.00 0.00 54.13 53.77 1x19 s LEU 271 Cb -0.16 -0.72 0.04 0.00 0.02 0.00 0.00 46.19 45.37 1x19 s LEU 271 CO 0.02 0.10 -0.04 -0.63 0.02 0.00 0.00 176.35 175.82 1x19 s ILE 272 N 0.13 0.94 -0.27 -0.59 1.01 -0.19 -0.67 121.20 121.56 1x19 s ILE 272 Ca -0.03 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 1x19 s ILE 272 Cb -0.10 -1.11 0.04 0.00 0.01 0.00 0.00 42.46 41.30 1x19 s ILE 272 CO 0.01 0.16 -0.05 -0.22 0.00 0.00 0.00 174.94 174.84 1x19 s LEU 273 N 1.72 3.46 0.38 2.97 1.98 -0.88 -0.86 118.68 127.45 1x19 s LEU 273 Ca 0.02 -1.07 0.08 0.00 -2.89 0.00 0.00 54.13 50.27 1x19 s LEU 273 Cb -0.14 -1.67 -0.06 0.00 0.66 0.00 0.00 46.19 44.97 1x19 s LEU 273 CO -0.07 -0.18 0.03 -1.81 -1.89 0.00 0.00 176.35 172.43 1x19 s ASP 274 N 1.28 4.06 0.26 3.68 1.01 0.09 0.72 116.67 127.76 1x19 s ASP 274 Ca -0.03 -1.17 -0.07 0.00 0.71 0.00 0.00 52.55 52.00 1x19 s ASP 274 Cb -0.18 -0.45 -0.06 0.00 1.01 0.00 0.00 42.92 43.24 1x19 s ASP 274 CO -0.03 -0.37 0.54 -0.04 0.21 0.00 0.00 175.17 175.47 1x19 s MET 275 N -3.74 3.69 -0.27 8.23 -1.94 -1.26 -0.88 119.30 123.13 1x19 s MET 275 Ca 0.36 0.10 -0.28 0.00 -1.71 0.00 0.00 55.69 54.15 1x19 s MET 275 Cb 0.05 -2.66 0.01 0.00 2.01 0.00 0.00 34.83 34.23 1x19 s MET 275 CO 0.19 0.27 1.01 0.08 -0.01 0.00 0.00 175.02 176.56 1x19 s VAL 276 N -1.95 4.64 -0.20 -6.03 1.01 0.13 -4.72 120.40 113.29 1x19 s VAL 276 Ca 0.45 1.81 0.09 0.00 0.00 0.00 0.00 61.98 64.33 1x19 s VAL 276 Cb -0.11 -4.32 0.19 0.00 0.00 0.00 0.00 36.38 32.15 1x19 s VAL 276 CO 0.26 -0.28 1.13 2.30 0.00 0.00 0.00 175.10 178.51 1x19 n ILE 277 N 5.53 1.41 -0.22 2.22 -0.00 -1.26 -4.61 119.36 122.44 1x19 n ILE 277 Ca 0.11 -1.49 0.05 0.00 -0.00 0.00 0.00 62.75 61.42 1x19 n ILE 277 Cb 0.47 0.19 0.13 0.00 -0.00 0.00 0.00 39.64 40.43 1x19 n ILE 277 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 1x19 n ASP 278 N -0.64 2.80 -4.54 7.28 3.85 -1.26 -4.74 116.55 119.29 1x19 n ASP 278 Ca 0.09 -2.10 -0.43 0.00 -0.71 0.00 0.00 54.79 51.64 1x19 n ASP 278 Cb 0.47 -0.21 -0.04 0.00 -1.35 0.00 0.00 41.12 39.98 1x19 n ASP 278 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1x19 s ASP 279 N -1.10 6.43 0.49 -1.12 -1.08 -1.26 -4.90 116.67 114.13 1x19 s ASP 279 Ca 0.20 -0.09 0.33 0.00 -0.52 0.00 0.00 52.55 52.47 1x19 s ASP 279 Cb 0.12 -2.43 1.63 0.00 -1.46 0.00 0.00 42.92 40.77 1x19 s ASP 279 CO 0.12 -1.08 2.01 1.55 0.52 0.00 0.00 175.17 178.28 1x19 h PRO 280 N 9.14 0.00 0.00 4.34 0.13 -2.01 -2.29 132.00 141.30 1x19 h PRO 280 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1x19 h PRO 280 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1x19 h PRO 280 CO 1.03 0.00 -0.62 0.93 -0.23 0.00 0.00 178.00 179.11 1x19 h GLU 281 N 0.00 0.00 -2.08 0.86 4.39 -2.03 -3.40 114.58 112.32 1x19 h GLU 281 Ca 0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 1x19 h GLU 281 Cb 0.21 0.00 -0.33 0.00 -0.10 0.00 0.00 28.75 28.53 1x19 h GLU 281 CO 0.00 0.00 -0.87 -0.80 -1.16 0.00 0.00 179.01 176.18 1x19 s ASN 282 N -4.32 0.87 0.51 1.42 0.01 -0.87 -5.13 114.94 107.44 1x19 s ASN 282 Ca 0.06 -2.72 -0.22 0.00 -0.71 0.00 0.00 52.86 49.27 1x19 s ASN 282 Cb 0.13 0.07 -0.07 0.00 0.41 0.00 0.00 41.25 41.79 1x19 s ASN 282 CO 0.72 -0.15 1.16 -2.65 -1.51 0.00 0.00 177.10 174.66 1x19 n PRO 283 N 2.95 1.46 -2.84 -0.60 -0.02 -1.20 -4.61 135.00 130.14 1x19 n PRO 283 Ca 0.26 0.53 -0.43 0.00 -2.02 0.00 0.00 63.50 61.85 1x19 n PRO 283 Cb 0.49 -2.31 -0.04 0.00 -0.02 0.00 0.00 33.50 31.62 1x19 n PRO 283 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1x19 s ASN 284 N -0.88 6.18 0.33 2.55 3.84 -1.26 -4.89 114.94 120.81 1x19 s ASN 284 Ca 0.69 -0.95 0.12 0.00 0.21 0.00 0.00 52.86 52.93 1x19 s ASN 284 Cb -0.47 -2.43 0.58 0.00 -0.55 0.00 0.00 41.25 38.39 1x19 s ASN 284 CO 0.52 -1.46 1.74 -0.26 -2.79 0.00 0.00 177.10 174.85 1x19 h PHE 285 N 9.59 0.00 0.60 0.43 -1.00 -1.96 -0.22 116.94 124.38 1x19 h PHE 285 Ca -0.29 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.47 1x19 h PHE 285 Cb 1.07 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.63 1x19 h PHE 285 CO 0.98 0.47 -0.33 0.22 -1.61 0.00 0.00 178.31 178.04 1x19 h ASP 286 N 0.00 -0.80 -0.49 2.17 1.82 -2.00 0.34 116.42 117.46 1x19 h ASP 286 Ca -0.00 0.04 0.04 0.00 -0.39 0.00 0.00 57.03 56.71 1x19 h ASP 286 Cb 0.84 0.22 -0.04 0.00 0.68 0.00 0.00 39.33 41.03 1x19 h ASP 286 CO 0.06 -0.53 0.26 0.22 -1.61 0.00 0.00 179.24 177.64 1x19 h TYR 287 N -0.86 0.49 -0.92 0.28 3.20 -1.92 -2.09 116.97 115.15 1x19 h TYR 287 Ca -0.08 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.83 1x19 h TYR 287 Cb 0.68 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.75 1x19 h TYR 287 CO -0.06 0.26 0.60 -0.07 -1.64 0.00 0.00 178.16 177.25 1x19 h LEU 288 N 0.52 1.03 -1.93 2.82 4.07 -0.77 0.30 115.31 121.34 1x19 h LEU 288 Ca 0.21 -0.02 0.11 0.00 0.08 0.00 0.00 57.88 58.26 1x19 h LEU 288 Cb 0.09 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.56 1x19 h LEU 288 CO -0.13 0.73 0.31 0.77 -1.08 0.00 0.00 178.44 179.04 1x19 h SER 289 N 1.21 0.07 0.20 -0.43 4.64 0.39 0.60 113.55 120.22 1x19 h SER 289 Ca 0.35 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.32 1x19 h SER 289 Cb -0.09 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1x19 h SER 289 CO -0.09 0.04 -1.74 0.45 -0.87 0.00 0.00 176.83 174.62 1x19 h HIS 290 N 0.07 0.73 -0.34 4.77 3.86 -1.11 -3.33 115.15 119.79 1x19 h HIS 290 Ca 0.21 -0.53 -0.01 0.00 -1.16 0.00 0.00 60.37 58.88 1x19 h HIS 290 Cb 0.73 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.15 1x19 h HIS 290 CO -0.00 1.67 0.18 -0.92 0.86 0.00 0.00 177.93 179.72 1x19 h TYR 291 N 0.11 0.48 0.00 2.45 5.03 0.87 -2.05 116.97 123.87 1x19 h TYR 291 Ca -0.34 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 60.95 1x19 h TYR 291 Cb 2.10 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 40.23 1x19 h TYR 291 CO 0.10 0.39 0.00 0.97 -1.32 0.00 0.00 178.16 178.31 1x19 h ILE 292 N 0.43 0.00 0.00 1.81 2.10 0.03 -1.61 117.51 120.27 1x19 h ILE 292 Ca 0.12 -0.01 -0.01 0.00 1.08 0.00 0.00 64.86 66.04 1x19 h ILE 292 Cb 0.08 0.83 -0.00 0.00 -1.09 0.00 0.00 36.82 36.64 1x19 h ILE 292 CO -0.02 0.00 -0.05 -0.07 -1.08 0.00 0.00 178.15 176.93 1x19 h LEU 293 N 0.00 0.00 -1.99 2.19 4.07 -1.47 0.76 115.31 118.86 1x19 h LEU 293 Ca 0.00 0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.04 1x19 h LEU 293 Cb 0.01 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 1x19 h LEU 293 CO 0.00 0.05 0.40 1.23 -1.08 0.00 0.00 178.44 179.03 1x19 h GLY 294 N 0.17 0.00 2.00 0.83 0.00 -1.41 0.47 103.07 105.13 1x19 h GLY 294 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1x19 h GLY 294 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 1x19 n ALA 295 N -2.19 1.58 -0.62 3.60 0.00 0.26 -2.15 120.51 120.99 1x19 n ALA 295 Ca 0.04 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.53 1x19 n ALA 295 Cb 0.53 -1.23 0.28 0.00 0.00 0.00 0.00 19.45 19.03 1x19 n ALA 295 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x19 n GLY 296 N -0.19 3.14 3.26 0.00 0.00 0.16 -3.75 105.19 107.81 1x19 n GLY 296 Ca 0.03 -0.78 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 1x19 n GLY 296 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x19 s MET 297 N -1.93 1.07 0.20 1.61 -1.94 -0.91 -0.77 119.30 116.64 1x19 s MET 297 Ca 0.41 -1.29 -0.08 0.00 -1.71 0.00 0.00 55.69 53.02 1x19 s MET 297 Cb 0.28 -0.96 0.13 0.00 2.01 0.00 0.00 34.83 36.28 1x19 s MET 297 CO 0.17 0.18 1.74 -1.00 -0.01 0.00 0.00 175.02 176.11 1x19 h PRO 298 N 3.40 1.14 -3.37 2.03 0.13 -1.95 -3.43 132.00 129.96 1x19 h PRO 298 Ca -0.40 -0.24 -0.23 0.00 -0.87 0.00 0.00 66.00 64.25 1x19 h PRO 298 Cb 1.20 -0.17 -0.30 0.00 0.13 0.00 0.00 31.00 31.86 1x19 h PRO 298 CO 0.52 0.97 -0.61 -0.59 -0.23 0.00 0.00 178.00 178.05 1x19 s PHE 299 N -5.42 -0.12 0.08 1.56 -0.12 -1.26 -5.14 117.98 107.56 1x19 s PHE 299 Ca -0.12 0.37 0.09 0.00 -0.05 0.00 0.00 56.93 57.21 1x19 s PHE 299 Cb 0.15 -0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.45 1x19 s PHE 299 CO 0.84 -0.12 -0.21 0.45 -0.05 0.00 0.00 175.22 176.13 1x19 s SER 300 N 0.75 3.63 0.00 1.98 0.15 -1.26 -5.03 113.70 113.91 1x19 s SER 300 Ca -0.06 -0.56 0.09 0.00 0.70 0.00 0.00 55.95 56.12 1x19 s SER 300 Cb -0.08 -0.46 0.18 0.00 -1.71 0.00 0.00 66.02 63.96 1x19 s SER 300 CO -0.03 0.22 1.05 1.33 1.20 0.00 0.00 173.24 177.01 1x19 n VAL 301 N 1.22 0.65 -2.43 4.45 0.24 -1.26 -4.99 118.33 116.21 1x19 n VAL 301 Ca -0.16 -0.82 -0.42 0.00 -2.04 0.00 0.00 64.34 60.89 1x19 n VAL 301 Cb 0.52 0.74 -0.03 0.00 -1.47 0.00 0.00 33.84 33.61 1x19 n VAL 301 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1x19 s LEU 302 N -0.91 4.31 0.00 1.34 1.43 -1.26 -4.83 118.68 118.76 1x19 s LEU 302 Ca 0.16 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 55.16 1x19 s LEU 302 Cb 0.09 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1x19 s LEU 302 CO 0.12 -0.55 0.00 0.61 0.23 0.00 0.00 176.35 176.76 1x19 n GLY 303 N 3.34 4.15 3.22 -3.19 0.00 -1.01 -5.05 105.19 106.66 1x19 n GLY 303 Ca 0.10 -1.86 -0.18 0.00 0.00 0.00 0.00 46.02 44.08 1x19 n GLY 303 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x19 s PHE 304 N -1.58 1.34 0.11 1.61 0.40 -1.26 -4.68 117.98 113.92 1x19 s PHE 304 Ca 0.00 -0.54 -0.26 0.00 -0.60 0.00 0.00 56.93 55.53 1x19 s PHE 304 Cb 0.00 -0.72 0.07 0.00 0.51 0.00 0.00 43.02 42.89 1x19 s PHE 304 CO 0.00 0.11 0.95 -1.59 0.70 0.00 0.00 175.22 175.40 1x19 s LYS 305 N -2.44 1.08 -0.39 0.44 -2.85 -1.26 -4.98 119.74 109.33 1x19 s LYS 305 Ca 0.06 -0.56 -0.24 0.00 -1.00 0.00 0.00 55.97 54.23 1x19 s LYS 305 Cb -0.06 0.39 0.02 0.00 -2.06 0.00 0.00 37.83 36.12 1x19 s LYS 305 CO 0.03 -0.49 0.85 -1.21 0.10 0.00 0.00 175.35 174.62 1x19 s GLU 306 N -3.22 3.70 0.56 1.78 0.41 -1.26 -4.59 118.70 116.08 1x19 s GLU 306 Ca 0.11 0.30 0.35 0.00 -0.41 0.00 0.00 54.97 55.32 1x19 s GLU 306 Cb -0.01 -3.84 1.52 0.00 -1.78 0.00 0.00 34.13 30.02 1x19 s GLU 306 CO -0.01 -0.97 2.04 1.96 -0.49 0.00 0.00 175.26 177.79 1x19 h GLN 307 N 8.64 0.00 0.00 1.61 4.20 -1.98 -1.41 115.11 126.18 1x19 h GLN 307 Ca -0.24 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 1x19 h GLN 307 Cb 1.09 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.86 1x19 h GLN 307 CO 0.96 0.02 -0.05 0.00 -0.67 0.00 0.00 178.83 179.08 1x19 h ALA 308 N 1.98 1.24 0.00 3.87 0.00 -2.01 -2.21 119.26 122.14 1x19 h ALA 308 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1x19 h ALA 308 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1x19 h ALA 308 CO 0.00 0.06 0.00 0.54 0.00 0.00 0.00 179.25 179.86 1x19 n ARG 309 N -3.50 0.01 0.26 0.00 1.74 -0.53 -2.20 116.66 112.44 1x19 n ARG 309 Ca -0.02 0.37 0.13 0.00 -0.77 0.00 0.00 57.85 57.56 1x19 n ARG 309 Cb 0.17 -1.50 0.80 0.00 -1.02 0.00 0.00 32.46 30.91 1x19 n ARG 309 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1x19 h TYR 310 N 0.00 0.00 0.91 -1.55 0.05 -1.61 -2.28 116.97 112.49 1x19 h TYR 310 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 1x19 h TYR 310 Cb 0.11 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.86 1x19 h TYR 310 CO 0.00 0.00 -0.44 -0.22 -1.05 0.00 0.00 178.16 176.45 1x19 h LYS 311 N 0.00 -1.18 -0.64 4.88 3.64 -1.71 0.24 116.57 121.80 1x19 h LYS 311 Ca 0.02 0.08 0.10 0.00 -1.27 0.00 0.00 60.65 59.58 1x19 h LYS 311 Cb 0.10 0.27 -0.08 0.00 -0.41 0.00 0.00 32.23 32.11 1x19 h LYS 311 CO -0.00 -0.78 0.25 0.93 -2.27 0.00 0.00 179.45 177.57 1x19 h GLU 312 N -1.22 0.42 -0.19 1.90 3.07 -1.69 0.13 114.58 116.99 1x19 h GLU 312 Ca -0.12 -0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.73 1x19 h GLU 312 Cb 0.94 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.73 1x19 h GLU 312 CO 0.20 0.28 0.04 0.82 -1.40 0.00 0.00 179.01 178.95 1x19 h ILE 313 N 0.43 0.92 -0.06 3.13 1.08 -1.16 0.87 117.51 122.73 1x19 h ILE 313 Ca 0.33 -0.04 -0.02 0.00 -0.39 0.00 0.00 64.86 64.74 1x19 h ILE 313 Cb 0.42 0.79 -0.00 0.00 -3.07 0.00 0.00 36.82 34.95 1x19 h ILE 313 CO -0.32 0.02 -0.05 -0.07 -0.69 0.00 0.00 178.15 177.04 1x19 h LEU 314 N 0.12 0.14 -1.32 1.44 3.38 0.28 -2.42 115.31 116.93 1x19 h LEU 314 Ca 0.09 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.62 1x19 h LEU 314 Cb 0.08 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1x19 h LEU 314 CO -0.11 0.59 0.49 -0.33 0.09 0.00 0.00 178.44 179.16 1x19 h GLU 315 N -0.31 0.84 -0.44 1.13 5.08 -0.72 0.50 114.58 120.66 1x19 h GLU 315 Ca 0.01 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1x19 h GLU 315 Cb 0.55 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1x19 h GLU 315 CO 0.01 0.56 0.30 1.03 -1.00 0.00 0.00 179.01 179.91 1x19 h SER 316 N 0.87 0.26 0.76 1.42 0.87 -0.63 -1.29 113.55 115.81 1x19 h SER 316 Ca 0.30 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1x19 h SER 316 Cb 0.10 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1x19 h SER 316 CO -0.09 0.17 -0.61 0.18 -0.53 0.00 0.00 176.83 175.95 1x19 n LEU 317 N -4.47 0.63 0.00 2.23 4.77 0.06 -4.93 117.00 115.30 1x19 n LEU 317 Ca 0.06 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1x19 n LEU 317 Cb 0.29 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1x19 n LEU 317 CO 0.35 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1x19 n GLY 318 N 1.38 1.01 3.79 -0.72 0.00 -0.48 -5.09 105.19 105.07 1x19 n GLY 318 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1x19 n GLY 318 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x19 s TYR 319 N -2.00 3.01 0.50 1.61 2.02 -0.59 -4.27 117.35 117.64 1x19 s TYR 319 Ca 0.00 1.59 0.05 0.00 -0.37 0.00 0.00 57.07 58.33 1x19 s TYR 319 Cb 0.00 -3.12 0.00 0.00 -0.40 0.00 0.00 41.96 38.44 1x19 s TYR 319 CO 0.00 -0.91 0.25 0.21 -1.57 0.00 0.00 175.55 173.53 1x19 s LYS 320 N -3.04 2.24 -1.25 -0.62 2.20 0.17 -4.17 119.74 115.28 1x19 s LYS 320 Ca 0.66 -2.06 -0.03 0.00 -0.36 0.00 0.00 55.97 54.18 1x19 s LYS 320 Cb -0.19 -1.94 0.03 0.00 -1.51 0.00 0.00 37.83 34.21 1x19 s LYS 320 CO 0.23 -0.43 0.07 -0.25 -0.36 0.00 0.00 175.35 174.62 1x19 n ASP 321 N -1.51 0.43 -4.76 1.43 10.43 -1.26 -1.55 116.55 119.75 1x19 n ASP 321 Ca -0.06 -0.99 -0.41 0.00 2.57 0.00 0.00 54.79 55.90 1x19 n ASP 321 Cb 0.65 -1.24 -0.01 0.00 1.84 0.00 0.00 41.12 42.35 1x19 n ASP 321 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1x19 s VAL 322 N -3.89 2.40 0.09 2.53 1.01 -1.25 -4.37 120.40 116.91 1x19 s VAL 322 Ca 0.10 0.37 -0.00 0.00 0.00 0.00 0.00 61.98 62.44 1x19 s VAL 322 Cb -0.06 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1x19 s VAL 322 CO 0.78 0.08 -0.01 0.42 0.00 0.00 0.00 175.10 176.37 1x19 s THR 323 N -0.65 0.30 -0.15 3.92 -4.23 0.29 -4.97 115.64 110.15 1x19 s THR 323 Ca 0.55 -1.88 -0.12 0.00 -1.18 0.00 0.00 61.69 59.07 1x19 s THR 323 Cb -0.44 -1.77 0.04 0.00 1.34 0.00 0.00 72.50 71.68 1x19 s THR 323 CO 0.53 -0.76 0.38 -0.04 -0.54 0.00 0.00 174.62 174.19 1x19 s MET 324 N -3.95 0.42 0.00 3.99 -1.94 -1.26 -1.37 119.30 115.20 1x19 s MET 324 Ca 0.15 0.61 0.01 0.00 -1.71 0.00 0.00 55.69 54.75 1x19 s MET 324 Cb 0.07 0.13 -0.01 0.00 2.01 0.00 0.00 34.83 37.03 1x19 s MET 324 CO -0.04 -0.09 -0.05 0.54 -0.01 0.00 0.00 175.02 175.37 1x19 s VAL 325 N 0.62 0.38 -0.11 -6.03 0.11 -0.59 -4.98 120.40 109.79 1x19 s VAL 325 Ca -0.03 -0.36 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 1x19 s VAL 325 Cb -0.05 -0.35 0.01 0.00 -1.53 0.00 0.00 36.38 34.45 1x19 s VAL 325 CO -0.04 0.01 -0.21 -0.13 -3.33 0.00 0.00 175.10 171.40 1x19 s ARG 326 N -0.38 2.81 -0.00 1.54 0.52 -1.26 -0.91 118.95 121.27 1x19 s ARG 326 Ca -0.01 -0.79 -0.27 0.00 -0.52 0.00 0.00 55.73 54.14 1x19 s ARG 326 Cb -0.03 -2.22 0.06 0.00 0.52 0.00 0.00 34.95 33.28 1x19 s ARG 326 CO -0.00 0.07 0.61 0.21 0.02 0.00 0.00 175.30 176.21 1x19 s LYS 327 N 0.62 1.06 -1.37 3.54 2.20 -0.39 -4.95 119.74 120.45 1x19 s LYS 327 Ca -0.13 0.04 -0.09 0.00 -0.36 0.00 0.00 55.97 55.43 1x19 s LYS 327 Cb -0.17 0.49 0.06 0.00 -1.51 0.00 0.00 37.83 36.71 1x19 s LYS 327 CO 0.03 -0.36 0.57 0.66 -0.36 0.00 0.00 175.35 175.89 1x19 n TYR 328 N 0.68 -1.87 -0.98 4.03 0.53 -1.26 -0.98 117.16 117.31 1x19 n TYR 328 Ca -0.19 0.53 0.00 0.00 -1.02 0.00 0.00 57.90 57.22 1x19 n TYR 328 Cb 0.59 -3.35 0.00 0.00 -1.03 0.00 0.00 39.34 35.55 1x19 n TYR 328 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 1x19 n ASP 329 N -2.39 -3.64 -4.47 7.72 10.43 -1.26 -4.87 116.55 118.06 1x19 n ASP 329 Ca -0.03 0.00 -0.24 0.00 2.57 0.00 0.00 54.79 57.09 1x19 n ASP 329 Cb 0.55 -1.52 -0.10 0.00 1.84 0.00 0.00 41.12 41.89 1x19 n ASP 329 CO 0.00 0.00 0.00 -1.00 -1.07 0.00 0.00 177.20 175.13 1x19 s HIS 330 N -1.78 2.27 -0.03 1.24 3.76 -0.15 0.22 115.29 120.82 1x19 s HIS 330 Ca 0.00 -0.37 0.03 0.00 -0.15 0.00 0.00 55.06 54.57 1x19 s HIS 330 Cb 0.00 -1.04 0.00 0.00 1.11 0.00 0.00 32.58 32.65 1x19 s HIS 330 CO 0.00 0.68 -0.13 -1.17 -0.85 0.00 0.00 174.74 173.27 1x19 s LEU 331 N -3.51 1.85 -0.20 0.89 2.96 -0.06 -1.27 118.68 119.33 1x19 s LEU 331 Ca 0.30 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 1x19 s LEU 331 Cb -0.04 -0.73 0.05 0.00 0.50 0.00 0.00 46.19 45.97 1x19 s LEU 331 CO 0.15 0.11 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.98 1x19 s LEU 332 N 0.12 2.27 0.04 -0.68 2.96 -0.09 -0.73 118.68 122.57 1x19 s LEU 332 Ca -0.03 -0.93 0.04 0.00 -0.22 0.00 0.00 54.13 52.99 1x19 s LEU 332 Cb -0.10 -1.18 -0.04 0.00 0.50 0.00 0.00 46.19 45.37 1x19 s LEU 332 CO 0.01 -0.17 -0.04 0.54 -1.32 0.00 0.00 176.35 175.37 1x19 s VAL 333 N 1.42 3.82 0.02 1.68 0.11 -0.04 -1.54 120.40 125.87 1x19 s VAL 333 Ca -0.02 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.16 1x19 s VAL 333 Cb -0.17 -2.73 -0.02 0.00 -1.53 0.00 0.00 36.38 31.93 1x19 s VAL 333 CO -0.08 0.27 -0.03 -1.10 -3.33 0.00 0.00 175.10 170.83 1x19 s GLN 334 N -1.81 0.28 0.10 1.54 -0.21 -0.47 -1.02 119.66 118.07 1x19 s GLN 334 Ca 0.21 -0.47 -0.09 0.00 0.02 0.00 0.00 55.36 55.03 1x19 s GLN 334 Cb -0.11 -0.01 -0.00 0.00 1.00 0.00 0.00 33.01 33.89 1x19 s GLN 334 CO 0.12 -0.01 0.22 0.00 -2.12 0.00 0.00 175.29 173.49 1x19 s ALA 335 N -1.04 -0.23 0.03 6.09 0.00 -0.79 -0.55 121.76 125.27 1x19 s ALA 335 Ca -0.10 -0.63 0.07 0.00 0.00 0.00 0.00 51.96 51.30 1x19 s ALA 335 Cb -0.07 0.56 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 1x19 s ALA 335 CO -0.01 -0.54 -0.20 0.14 0.00 0.00 0.00 175.76 175.16 1x19 s VAL 336 N -3.87 1.59 -0.43 0.00 -7.23 -0.59 -0.92 120.40 108.93 1x19 s VAL 336 Ca 0.07 -1.10 -0.27 0.00 -1.81 0.00 0.00 61.98 58.87 1x19 s VAL 336 Cb 0.04 -1.37 0.02 0.00 0.56 0.00 0.00 36.38 35.64 1x19 s VAL 336 CO -0.09 0.24 1.01 -0.75 -0.31 0.00 0.00 175.10 175.19 1x19 s LYS 337 N -1.02 3.72 0.00 4.82 2.20 -0.06 -0.65 119.74 128.75 1x19 s LYS 337 Ca 0.07 0.48 0.00 0.00 -0.36 0.00 0.00 55.97 56.16 1x19 s LYS 337 Cb -0.08 -3.87 0.00 0.00 -1.51 0.00 0.00 37.83 32.36 1x19 s LYS 337 CO 0.01 -1.18 0.06 -0.35 -0.36 0.00 0.00 175.35 173.53