#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ww0 s ASP 21 N 0.00 6.17 0.12 4.39 2.15 -1.26 -4.93 116.67 123.31 2ww0 s ASP 21 Ca 0.00 -0.98 0.25 0.00 0.43 0.00 0.00 52.55 52.25 2ww0 s ASP 21 Cb 0.00 -2.21 0.44 0.00 -0.30 0.00 0.00 42.92 40.85 2ww0 s ASP 21 CO 0.00 -0.63 1.40 0.79 -0.17 0.00 0.00 175.17 176.57 2ww0 n TRP 22 N 5.47 0.58 0.28 -5.34 8.01 -1.26 -4.14 117.44 121.04 2ww0 n TRP 22 Ca -0.10 0.17 0.13 0.00 -1.31 0.00 0.00 57.50 56.39 2ww0 n TRP 22 Cb 0.46 -0.68 0.82 0.00 -2.01 0.00 0.00 31.31 29.90 2ww0 n TRP 22 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 2ww0 h THR 23 N 0.00 0.66 -0.00 -0.99 1.35 -1.93 -0.83 112.91 111.17 2ww0 h THR 23 Ca 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 2ww0 h THR 23 Cb 0.73 1.06 -0.00 0.00 -1.73 0.00 0.00 68.15 68.21 2ww0 h THR 23 CO 0.00 0.02 0.01 0.06 -0.25 0.00 0.00 175.52 175.37 2ww0 h GLN 24 N 0.00 0.00 0.00 4.72 3.07 -2.02 0.13 115.11 121.01 2ww0 h GLN 24 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2ww0 h GLN 24 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.62 2ww0 h GLN 24 CO 0.00 0.00 -0.73 0.66 0.09 0.00 0.00 178.83 178.86 2ww0 n TYR 25 N -3.18 0.21 -2.80 0.06 4.01 -0.32 -4.89 117.16 110.25 2ww0 n TYR 25 Ca -0.03 0.06 -0.42 0.00 -0.16 0.00 0.00 57.90 57.35 2ww0 n TYR 25 Cb 0.08 -0.38 -0.03 0.00 -0.31 0.00 0.00 39.34 38.70 2ww0 n TYR 25 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2ww0 s VAL 26 N -3.10 4.81 -0.43 -0.72 1.01 0.03 -4.22 120.40 117.78 2ww0 s VAL 26 Ca 0.07 1.79 -0.04 0.00 0.00 0.00 0.00 61.98 63.81 2ww0 s VAL 26 Cb 0.15 -4.21 0.11 0.00 0.00 0.00 0.00 36.38 32.44 2ww0 s VAL 26 CO 0.75 -0.04 0.24 0.21 0.00 0.00 0.00 175.10 176.26 2ww0 s ASN 27 N 1.18 5.36 0.00 3.32 2.47 -1.26 -4.83 114.94 121.18 2ww0 s ASN 27 Ca 0.41 -2.02 0.13 0.00 0.42 0.00 0.00 52.86 51.80 2ww0 s ASN 27 Cb -0.16 -1.87 0.64 0.00 -1.45 0.00 0.00 41.25 38.41 2ww0 s ASN 27 CO 0.11 -0.58 1.32 -2.65 -3.72 0.00 0.00 177.10 171.58 2ww0 n PRO 28 N 4.65 0.18 0.00 0.43 -0.02 -1.26 -1.63 135.00 137.35 2ww0 n PRO 28 Ca -0.03 0.17 0.12 0.00 -2.02 0.00 0.00 63.50 61.73 2ww0 n PRO 28 Cb 0.41 -1.50 0.25 0.00 -0.02 0.00 0.00 33.50 32.64 2ww0 n PRO 28 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2ww0 n LEU 29 N -1.28 0.76 -4.66 2.45 4.77 -1.26 -3.60 117.00 114.17 2ww0 n LEU 29 Ca 0.06 -0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.47 2ww0 n LEU 29 Cb 0.10 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 2ww0 n LEU 29 CO 0.10 0.17 1.46 -0.32 -1.33 0.00 0.00 177.39 177.46 2ww0 s MET 30 N -2.83 4.16 0.00 3.23 1.75 -0.64 -1.15 119.30 123.82 2ww0 s MET 30 Ca 0.15 2.34 0.00 0.00 -1.25 0.00 0.00 55.69 56.93 2ww0 s MET 30 Cb 0.18 -4.05 0.00 0.00 2.84 0.00 0.00 34.83 33.79 2ww0 s MET 30 CO 0.66 -0.90 0.00 0.41 -0.65 0.00 0.00 175.02 174.54 2ww0 n GLY 31 N 4.30 0.57 0.03 2.11 0.00 0.54 -4.78 105.19 107.96 2ww0 n GLY 31 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 2ww0 n GLY 31 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ww0 n SER 32 N 0.00 0.46 -3.61 1.61 3.41 -0.30 -1.56 113.62 113.64 2ww0 n SER 32 Ca 0.00 0.17 -0.41 0.00 -0.26 0.00 0.00 58.87 58.37 2ww0 n SER 32 Cb 0.00 -0.13 0.01 0.00 -0.26 0.00 0.00 64.21 63.82 2ww0 n SER 32 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2ww0 n GLN 33 N -1.77 4.77 -4.44 4.33 7.27 -0.46 -1.36 117.38 125.72 2ww0 n GLN 33 Ca 0.05 -3.93 -0.26 0.00 0.07 0.00 0.00 57.00 52.93 2ww0 n GLN 33 Cb 0.38 -2.60 -0.11 0.00 2.41 0.00 0.00 30.24 30.32 2ww0 n GLN 33 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2ww0 s SER 34 N -0.29 3.53 0.22 1.69 0.01 -1.26 -4.42 113.70 113.19 2ww0 s SER 34 Ca 0.46 -0.93 0.03 0.00 1.31 0.00 0.00 55.95 56.82 2ww0 s SER 34 Cb 0.17 -0.29 -0.05 0.00 0.21 0.00 0.00 66.02 66.06 2ww0 s SER 34 CO -0.08 0.08 -0.00 0.42 0.41 0.00 0.00 173.24 174.07 2ww0 s THR 35 N -2.07 0.95 0.36 1.44 -4.23 -0.39 -4.94 115.64 106.76 2ww0 s THR 35 Ca 0.25 -2.02 0.13 0.00 -1.18 0.00 0.00 61.69 58.87 2ww0 s THR 35 Cb -0.07 -2.29 0.35 0.00 1.34 0.00 0.00 72.50 71.83 2ww0 s THR 35 CO 0.12 -0.36 1.79 0.15 -0.54 0.00 0.00 174.62 175.78 2ww0 h PHE 36 N 2.52 0.82 0.00 3.99 3.57 -2.02 -2.64 116.94 123.19 2ww0 h PHE 36 Ca -0.38 0.03 -0.25 0.00 3.53 0.00 0.00 57.97 60.90 2ww0 h PHE 36 Cb 1.22 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.67 2ww0 h PHE 36 CO 0.57 0.14 -1.32 0.93 -2.23 0.00 0.00 178.31 176.40 2ww0 h GLU 37 N 0.55 0.00 -3.00 1.11 3.07 -1.96 -3.40 114.58 110.95 2ww0 h GLU 37 Ca 0.57 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 59.11 2ww0 h GLU 37 Cb 1.18 0.00 -0.36 0.00 -0.84 0.00 0.00 28.75 28.73 2ww0 h GLU 37 CO -0.32 0.76 -0.65 -1.17 -1.40 0.00 0.00 179.01 176.23 2ww0 s LEU 38 N -6.42 -0.04 0.01 1.33 2.96 -1.00 -4.17 118.68 111.35 2ww0 s LEU 38 Ca -0.02 0.15 -0.23 0.00 -0.22 0.00 0.00 54.13 53.82 2ww0 s LEU 38 Cb 0.09 0.23 -0.05 0.00 0.50 0.00 0.00 46.19 46.96 2ww0 s LEU 38 CO 0.82 -0.27 0.67 -0.55 -1.32 0.00 0.00 176.35 175.71 2ww0 s SER 39 N 2.28 7.06 -0.20 3.68 0.15 -1.24 -1.27 113.70 124.17 2ww0 s SER 39 Ca 0.04 1.27 0.15 0.00 0.70 0.00 0.00 55.95 58.10 2ww0 s SER 39 Cb -0.13 -2.41 0.44 0.00 -1.71 0.00 0.00 66.02 62.21 2ww0 s SER 39 CO -0.07 0.04 1.33 0.35 1.20 0.00 0.00 173.24 176.09 2ww0 n THR 40 N 2.90 2.24 0.00 6.45 -2.24 -1.26 -3.48 114.28 118.88 2ww0 n THR 40 Ca -0.04 -2.39 0.00 0.00 -2.27 0.00 0.00 64.05 59.34 2ww0 n THR 40 Cb 0.51 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 2ww0 n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ww0 n GLY 41 N -1.01 3.51 3.59 3.38 0.00 -1.15 -1.18 105.19 112.32 2ww0 n GLY 41 Ca 0.23 -0.50 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 2ww0 n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ww0 n ASN 42 N 0.00 -1.54 -4.76 1.61 3.02 -0.88 -1.50 115.26 111.21 2ww0 n ASN 42 Ca 0.00 -0.74 -0.24 0.00 -0.03 0.00 0.00 54.58 53.57 2ww0 n ASN 42 Cb 0.00 -4.50 -0.07 0.00 -0.61 0.00 0.00 39.78 34.60 2ww0 n ASN 42 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2ww0 s THR 43 N -3.54 2.36 0.24 3.41 -4.23 -0.60 -4.57 115.64 108.70 2ww0 s THR 43 Ca 0.00 -1.65 0.04 0.00 -1.18 0.00 0.00 61.69 58.91 2ww0 s THR 43 Cb -0.00 -3.00 -0.05 0.00 1.34 0.00 0.00 72.50 70.79 2ww0 s THR 43 CO 0.78 -0.00 -0.03 -0.72 -0.54 0.00 0.00 174.62 174.11 2ww0 s TYR 44 N -2.58 1.63 -0.73 3.99 1.13 -1.26 -4.09 117.35 115.44 2ww0 s TYR 44 Ca 0.42 -0.85 -0.26 0.00 -1.41 0.00 0.00 57.07 54.97 2ww0 s TYR 44 Cb 0.03 -0.93 -0.01 0.00 -1.10 0.00 0.00 41.96 39.95 2ww0 s TYR 44 CO 0.23 0.05 1.72 -2.14 -2.51 0.00 0.00 175.55 172.91 2ww0 s PRO 45 N -3.82 2.81 -0.69 -3.49 0.02 -1.24 -4.91 135.00 123.69 2ww0 s PRO 45 Ca 0.28 0.10 -0.27 0.00 0.02 0.00 0.00 61.00 61.12 2ww0 s PRO 45 Cb 0.05 -4.56 0.03 0.00 0.02 0.00 0.00 34.50 30.04 2ww0 s PRO 45 CO 0.09 -2.70 1.25 0.00 -0.33 0.00 0.00 177.00 175.31 2ww0 s ALA 46 N 8.22 2.84 -0.47 -1.55 0.00 -1.26 -4.43 121.76 125.10 2ww0 s ALA 46 Ca 0.59 -1.21 -0.21 0.00 0.00 0.00 0.00 51.96 51.13 2ww0 s ALA 46 Cb -0.09 -4.18 0.03 0.00 0.00 0.00 0.00 23.12 18.88 2ww0 s ALA 46 CO 0.13 -3.08 0.70 0.42 0.00 0.00 0.00 175.76 173.93 2ww0 s ILE 47 N 5.46 4.75 0.16 0.00 -1.09 -0.28 -4.77 121.20 125.43 2ww0 s ILE 47 Ca 0.37 0.05 -0.24 0.00 -2.23 0.00 0.00 60.65 58.60 2ww0 s ILE 47 Cb -0.08 -4.29 0.06 0.00 -1.58 0.00 0.00 42.46 36.57 2ww0 s ILE 47 CO 0.18 -0.74 0.84 0.00 -1.23 0.00 0.00 174.94 174.00 2ww0 s ALA 48 N 3.01 -1.57 0.57 9.38 0.00 -0.68 -1.92 121.76 130.56 2ww0 s ALA 48 Ca 0.23 0.21 -0.08 0.00 0.00 0.00 0.00 51.96 52.32 2ww0 s ALA 48 Cb -0.15 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.63 2ww0 s ALA 48 CO 0.18 -0.95 0.93 1.03 0.00 0.00 0.00 175.76 176.95 2ww0 s ARG 49 N -3.48 3.45 0.01 0.00 1.81 -1.26 -4.57 118.95 114.91 2ww0 s ARG 49 Ca 0.09 0.44 -0.37 0.00 -1.72 0.00 0.00 55.73 54.17 2ww0 s ARG 49 Cb -0.02 -2.21 -0.16 0.00 -0.45 0.00 0.00 34.95 32.11 2ww0 s ARG 49 CO -0.00 -0.48 1.47 -2.30 -0.68 0.00 0.00 175.30 173.30 2ww0 n PRO 50 N -2.57 1.29 -1.88 3.54 -0.02 -1.26 -1.17 135.00 132.93 2ww0 n PRO 50 Ca 0.04 0.47 -0.18 0.00 -2.02 0.00 0.00 63.50 61.80 2ww0 n PRO 50 Cb 0.55 -2.14 -0.05 0.00 -0.02 0.00 0.00 33.50 31.84 2ww0 n PRO 50 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2ww0 n TRP 51 N 3.36 -0.52 -1.75 6.00 8.01 -0.13 -4.89 117.44 127.52 2ww0 n TRP 51 Ca 0.20 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 56.00 2ww0 n TRP 51 Cb 0.19 -3.36 0.04 0.00 -2.01 0.00 0.00 31.31 26.17 2ww0 n TRP 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2ww0 n GLY 52 N -0.59 0.85 0.25 6.99 0.00 -0.32 -1.04 105.19 111.34 2ww0 n GLY 52 Ca -0.20 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 2ww0 n GLY 52 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ww0 h MET 53 N 1.60 0.82 -5.25 1.61 4.05 -1.32 -3.38 114.93 113.05 2ww0 h MET 53 Ca -0.51 -0.42 -0.67 0.00 -0.28 0.00 0.00 59.70 57.82 2ww0 h MET 53 Cb 1.30 0.01 -0.31 0.00 -0.80 0.00 0.00 31.60 31.80 2ww0 h MET 53 CO 0.58 1.06 -0.83 -0.80 0.23 0.00 0.00 176.91 177.14 2ww0 s ASN 54 N -6.84 3.45 0.13 1.39 0.01 -0.99 -4.86 114.94 107.23 2ww0 s ASN 54 Ca -0.10 -0.50 -0.03 0.00 -0.71 0.00 0.00 52.86 51.53 2ww0 s ASN 54 Cb 0.12 -1.51 -0.05 0.00 0.41 0.00 0.00 41.25 40.22 2ww0 s ASN 54 CO 0.86 0.12 0.33 -0.36 -1.51 0.00 0.00 177.10 176.54 2ww0 s PHE 55 N 0.62 3.49 -0.01 2.20 0.08 -1.02 -4.78 117.98 118.56 2ww0 s PHE 55 Ca -0.10 0.43 0.07 0.00 0.12 0.00 0.00 56.93 57.45 2ww0 s PHE 55 Cb -0.16 -1.91 -0.02 0.00 -0.57 0.00 0.00 43.02 40.36 2ww0 s PHE 55 CO 0.03 0.47 -0.22 -1.58 -0.10 0.00 0.00 175.22 173.82 2ww0 s TRP 56 N -1.66 1.93 -0.01 0.36 0.52 -0.81 -0.94 118.94 118.33 2ww0 s TRP 56 Ca 0.39 -0.37 -0.08 0.00 0.02 0.00 0.00 56.10 56.06 2ww0 s TRP 56 Cb -0.12 -1.23 0.01 0.00 -1.15 0.00 0.00 33.47 30.98 2ww0 s TRP 56 CO 0.26 -0.01 0.16 -0.08 0.02 0.00 0.00 176.95 177.30 2ww0 s THR 57 N -0.55 0.07 0.43 2.01 -1.32 -0.34 -1.12 115.64 114.81 2ww0 s THR 57 Ca 0.08 -0.57 -0.26 0.00 -1.21 0.00 0.00 61.69 59.74 2ww0 s THR 57 Cb -0.08 -0.43 -0.08 0.00 -1.51 0.00 0.00 72.50 70.40 2ww0 s THR 57 CO -0.00 -0.31 1.36 -2.16 -2.21 0.00 0.00 174.62 171.29 2ww0 s PRO 58 N -1.17 3.83 -0.26 7.08 0.04 -1.26 -1.00 135.00 142.26 2ww0 s PRO 58 Ca -0.12 2.27 -0.02 0.00 0.04 0.00 0.00 61.00 63.16 2ww0 s PRO 58 Cb -0.06 -2.70 0.03 0.00 0.04 0.00 0.00 34.50 31.80 2ww0 s PRO 58 CO 0.02 -0.65 -0.03 -1.14 0.04 0.00 0.00 177.00 175.24 2ww0 s GLN 59 N -2.35 2.82 -0.22 4.56 0.74 0.25 -4.61 119.66 120.86 2ww0 s GLN 59 Ca 0.59 -1.00 0.07 0.00 0.05 0.00 0.00 55.36 55.07 2ww0 s GLN 59 Cb -0.40 -3.07 -0.21 0.00 1.10 0.00 0.00 33.01 30.42 2ww0 s GLN 59 CO 0.52 -0.44 -0.03 0.25 -0.55 0.00 0.00 175.29 175.05 2ww0 n THR 60 N 4.69 1.49 -1.11 -0.34 -2.24 0.19 -0.80 114.28 116.16 2ww0 n THR 60 Ca -0.16 -0.69 -0.31 0.00 -2.27 0.00 0.00 64.05 60.63 2ww0 n THR 60 Cb 0.47 -1.10 0.12 0.00 -2.10 0.00 0.00 70.33 67.71 2ww0 n THR 60 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ww0 s GLY 61 N -6.01 1.67 0.62 3.38 0.00 0.87 -4.71 107.32 103.13 2ww0 s GLY 61 Ca -0.24 0.28 -0.13 0.00 0.00 0.00 0.00 44.72 44.63 2ww0 s GLY 61 CO 0.70 0.67 1.04 0.54 0.00 0.00 0.00 173.10 176.06 2ww0 s LYS 62 N -4.84 3.31 -0.01 2.90 1.02 -1.26 -4.91 119.74 115.95 2ww0 s LYS 62 Ca 0.63 1.01 -0.37 0.00 0.02 0.00 0.00 55.97 57.26 2ww0 s LYS 62 Cb -0.19 -2.04 -0.16 0.00 -0.52 0.00 0.00 37.83 34.93 2ww0 s LYS 62 CO 0.57 -0.80 1.52 -0.12 -0.92 0.00 0.00 175.35 175.60 2ww0 n MET 63 N -2.46 1.39 0.00 1.68 0.00 -1.26 -1.90 117.12 114.56 2ww0 n MET 63 Ca 0.08 0.50 0.00 0.00 -0.00 0.00 0.00 57.70 58.28 2ww0 n MET 63 Cb 0.53 -2.19 0.00 0.00 0.00 0.00 0.00 33.22 31.56 2ww0 n MET 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ww0 n GLY 64 N 3.22 2.38 3.68 -5.12 0.00 -1.26 -5.04 105.19 103.06 2ww0 n GLY 64 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2ww0 n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ww0 s ASP 65 N -1.37 7.18 0.45 1.61 -1.08 -0.80 -4.92 116.67 117.74 2ww0 s ASP 65 Ca 0.00 1.46 0.21 0.00 -0.52 0.00 0.00 52.55 53.70 2ww0 s ASP 65 Cb 0.00 -2.54 1.19 0.00 -1.46 0.00 0.00 42.92 40.11 2ww0 s ASP 65 CO 0.00 -0.47 1.86 1.23 0.52 0.00 0.00 175.17 178.31 2ww0 h GLY 66 N 8.26 0.66 -7.70 2.66 0.00 -1.90 -3.16 103.07 101.90 2ww0 h GLY 66 Ca -0.29 -0.14 -0.71 0.00 0.00 0.00 0.00 47.33 46.19 2ww0 h GLY 66 CO 0.87 -0.01 1.55 -0.98 0.00 0.00 0.00 176.54 177.97 2ww0 s TRP 67 N -5.31 3.22 -0.25 5.60 0.51 -1.26 -4.34 118.94 117.11 2ww0 s TRP 67 Ca -0.07 -1.87 0.18 0.00 -2.12 0.00 0.00 56.10 52.21 2ww0 s TRP 67 Cb 0.22 -4.45 0.15 0.00 -0.81 0.00 0.00 33.47 28.58 2ww0 s TRP 67 CO 0.78 -1.54 1.49 -0.56 -0.51 0.00 0.00 176.95 176.60 2ww0 h GLN 68 N 7.55 0.00 -3.47 4.98 3.07 -1.91 -3.34 115.11 121.98 2ww0 h GLN 68 Ca 0.33 0.00 -0.37 0.00 0.09 0.00 0.00 58.65 58.70 2ww0 h GLN 68 Cb 0.89 0.00 -0.38 0.00 0.08 0.00 0.00 27.48 28.08 2ww0 h GLN 68 CO 1.30 0.34 -0.75 -0.47 0.09 0.00 0.00 178.83 179.34 2ww0 s TYR 69 N -3.04 0.22 -0.02 0.06 5.04 -1.26 0.53 117.35 118.88 2ww0 s TYR 69 Ca 0.05 0.12 0.05 0.00 -2.44 0.00 0.00 57.07 54.85 2ww0 s TYR 69 Cb 0.07 -0.52 -0.01 0.00 0.35 0.00 0.00 41.96 41.85 2ww0 s TYR 69 CO 0.72 -0.20 -0.18 0.95 -1.34 0.00 0.00 175.55 175.50 2ww0 s THR 70 N 1.87 1.46 0.54 4.34 -4.23 -1.26 -4.78 115.64 113.58 2ww0 s THR 70 Ca 0.02 -0.77 0.23 0.00 -1.18 0.00 0.00 61.69 59.98 2ww0 s THR 70 Cb -0.12 -1.23 0.30 0.00 1.34 0.00 0.00 72.50 72.79 2ww0 s THR 70 CO -0.03 0.42 2.18 0.22 -0.54 0.00 0.00 174.62 176.86 2ww0 h TYR 71 N 5.85 0.00 -0.38 3.99 5.03 -1.58 -0.68 116.97 129.20 2ww0 h TYR 71 Ca -0.36 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.95 2ww0 h TYR 71 Cb 1.15 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.43 2ww0 h TYR 71 CO 0.41 0.02 0.00 0.25 -1.32 0.00 0.00 178.16 177.52 2ww0 n THR 72 N -4.15 0.50 -2.61 1.81 -2.24 -1.26 -4.91 114.28 101.42 2ww0 n THR 72 Ca -0.03 -0.61 -0.35 0.00 -2.27 0.00 0.00 64.05 60.80 2ww0 n THR 72 Cb 0.11 0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 68.81 2ww0 n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ww0 s ALA 73 N -1.50 3.00 -0.13 6.98 0.00 -0.26 -4.97 121.76 124.88 2ww0 s ALA 73 Ca 0.35 0.60 0.18 0.00 0.00 0.00 0.00 51.96 53.09 2ww0 s ALA 73 Cb 0.19 -3.24 -0.17 0.00 0.00 0.00 0.00 23.12 19.91 2ww0 s ALA 73 CO 0.26 -0.17 0.69 0.09 0.00 0.00 0.00 175.76 176.64 2ww0 n ASN 74 N -0.48 0.63 -4.27 0.00 3.02 -1.26 -4.96 115.26 107.94 2ww0 n ASN 74 Ca 0.07 0.27 -0.24 0.00 -0.03 0.00 0.00 54.58 54.65 2ww0 n ASN 74 Cb 0.52 0.54 -0.13 0.00 -0.61 0.00 0.00 39.78 40.10 2ww0 n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ww0 s LYS 75 N -2.98 1.13 -0.12 3.52 1.02 -1.26 -1.46 119.74 119.59 2ww0 s LYS 75 Ca -0.04 -1.10 -0.02 0.00 0.02 0.00 0.00 55.97 54.82 2ww0 s LYS 75 Cb 0.09 -1.34 -0.03 0.00 -0.52 0.00 0.00 37.83 36.03 2ww0 s LYS 75 CO 0.83 0.32 -0.03 0.42 -0.92 0.00 0.00 175.35 175.96 2ww0 s ILE 76 N -1.12 3.96 -0.18 2.17 1.01 0.21 -4.42 121.20 122.82 2ww0 s ILE 76 Ca 0.06 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.37 2ww0 s ILE 76 Cb -0.10 -2.69 0.02 0.00 0.01 0.00 0.00 42.46 39.70 2ww0 s ILE 76 CO 0.04 0.54 0.63 -2.11 0.00 0.00 0.00 174.94 174.04 2ww0 n ARG 77 N 2.90 -0.19 0.00 2.79 1.85 0.02 -1.43 116.66 122.61 2ww0 n ARG 77 Ca -0.18 -0.75 0.00 0.00 -1.00 0.00 0.00 57.85 55.92 2ww0 n ARG 77 Cb 0.53 -1.03 0.00 0.00 -1.05 0.00 0.00 32.46 30.91 2ww0 n ARG 77 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2ww0 n GLY 78 N 0.02 1.15 3.26 2.89 0.00 -1.22 -4.81 105.19 106.47 2ww0 n GLY 78 Ca 0.01 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 2ww0 n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ww0 s PHE 79 N -2.00 3.08 0.00 1.61 0.40 0.62 -0.58 117.98 121.11 2ww0 s PHE 79 Ca 0.00 -1.28 0.02 0.00 -0.60 0.00 0.00 56.93 55.08 2ww0 s PHE 79 Cb 0.00 -2.13 -0.03 0.00 0.51 0.00 0.00 43.02 41.36 2ww0 s PHE 79 CO 0.00 -0.65 -0.04 0.21 0.70 0.00 0.00 175.22 175.44 2ww0 s LYS 80 N 1.40 2.65 -0.16 0.44 2.20 -0.17 -1.37 119.74 124.74 2ww0 s LYS 80 Ca 0.02 -0.67 -0.21 0.00 -0.36 0.00 0.00 55.97 54.74 2ww0 s LYS 80 Cb -0.17 -2.58 -0.03 0.00 -1.51 0.00 0.00 37.83 33.55 2ww0 s LYS 80 CO -0.02 0.61 0.63 -1.14 -0.36 0.00 0.00 175.35 175.07 2ww0 s GLN 81 N -1.49 4.27 0.08 4.03 0.74 0.25 -1.20 119.66 126.34 2ww0 s GLN 81 Ca 0.18 0.65 0.03 0.00 0.05 0.00 0.00 55.36 56.27 2ww0 s GLN 81 Cb -0.11 -3.54 -0.03 0.00 1.10 0.00 0.00 33.01 30.43 2ww0 s GLN 81 CO 0.09 -0.14 -0.10 -0.08 -0.55 0.00 0.00 175.29 174.51 2ww0 s THR 82 N 1.55 0.82 0.00 -0.34 -1.32 -0.12 -3.29 115.64 112.94 2ww0 s THR 82 Ca 0.30 -1.44 0.00 0.00 -1.21 0.00 0.00 61.69 59.34 2ww0 s THR 82 Cb -0.16 -1.11 0.00 0.00 -1.51 0.00 0.00 72.50 69.72 2ww0 s THR 82 CO 0.12 -0.48 0.65 1.41 -2.21 0.00 0.00 174.62 174.11 2ww0 n HIS 83 N 0.90 0.00 -1.86 9.09 8.25 -1.25 -2.43 115.22 127.93 2ww0 n HIS 83 Ca -0.19 -0.21 -0.42 0.00 -0.26 0.00 0.00 57.72 56.64 2ww0 n HIS 83 Cb 0.56 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 2ww0 n HIS 83 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2ww0 s GLN 84 N -0.42 4.18 0.17 -0.41 0.74 -1.26 -4.86 119.66 117.80 2ww0 s GLN 84 Ca 0.00 2.42 0.23 0.00 0.05 0.00 0.00 55.36 58.06 2ww0 s GLN 84 Cb 0.00 -3.50 0.14 0.00 1.10 0.00 0.00 33.01 30.76 2ww0 s GLN 84 CO 0.00 -0.74 1.17 -1.00 -0.55 0.00 0.00 175.29 174.16 2ww0 h PRO 85 N 8.07 0.00 -1.57 1.67 0.13 -1.90 -3.48 132.00 134.91 2ww0 h PRO 85 Ca -0.44 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.77 2ww0 h PRO 85 Cb 1.21 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.09 2ww0 h PRO 85 CO 0.93 0.00 0.51 0.45 -0.23 0.00 0.00 178.00 179.66 2ww0 s SER 86 N -4.87 -0.40 0.51 1.44 0.15 -1.26 -4.57 113.70 104.69 2ww0 s SER 86 Ca 0.03 0.63 0.21 0.00 0.70 0.00 0.00 55.95 57.51 2ww0 s SER 86 Cb 0.11 0.58 1.30 0.00 -1.71 0.00 0.00 66.02 66.31 2ww0 s SER 86 CO 0.76 -0.24 2.03 1.55 1.20 0.00 0.00 173.24 178.54 2ww0 h PRO 87 N 3.38 0.07 -0.07 5.44 0.13 -1.81 0.12 132.00 139.25 2ww0 h PRO 87 Ca -0.23 -0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.67 2ww0 h PRO 87 Cb 1.17 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.29 2ww0 h PRO 87 CO 0.21 0.04 -0.85 -1.49 -0.23 0.00 0.00 178.00 175.68 2ww0 h TRP 88 N 0.07 0.81 0.10 1.56 4.06 -1.94 -3.23 115.95 117.38 2ww0 h TRP 88 Ca 0.19 -0.39 -0.27 0.00 2.06 0.00 0.00 58.89 60.47 2ww0 h TRP 88 Cb 0.66 -0.11 0.01 0.00 -1.00 0.00 0.00 29.16 28.73 2ww0 h TRP 88 CO -0.00 1.20 -1.18 0.82 -3.56 0.00 0.00 178.44 175.73 2ww0 h ILE 89 N 0.37 1.40 -0.49 1.49 1.08 -1.79 -3.50 117.51 116.06 2ww0 h ILE 89 Ca -0.07 -2.71 0.03 0.00 -0.39 0.00 0.00 64.86 61.72 2ww0 h ILE 89 Cb 1.47 2.75 -0.01 0.00 -3.07 0.00 0.00 36.82 37.96 2ww0 h ILE 89 CO 0.16 0.81 -0.04 -3.20 -0.69 0.00 0.00 178.15 175.18 2ww0 n ASN 90 N -3.67 -1.39 -4.86 1.72 2.85 0.35 -4.84 115.26 105.43 2ww0 n ASN 90 Ca -0.10 0.13 -0.23 0.00 -0.11 0.00 0.00 54.58 54.27 2ww0 n ASN 90 Cb 0.97 -0.36 -0.03 0.00 1.24 0.00 0.00 39.78 41.60 2ww0 n ASN 90 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2ww0 s ASP 91 N -3.59 4.80 0.19 1.20 -1.08 -1.26 -4.40 116.67 112.53 2ww0 s ASP 91 Ca 0.00 -0.95 -0.20 0.00 -0.52 0.00 0.00 52.55 50.87 2ww0 s ASP 91 Cb 0.00 -0.28 0.05 0.00 -1.46 0.00 0.00 42.92 41.22 2ww0 s ASP 91 CO 0.00 -0.76 0.59 -0.72 0.52 0.00 0.00 175.17 174.80 2ww0 s TYR 92 N -2.58 -0.32 -1.20 -5.34 1.13 -1.26 -2.58 117.35 105.20 2ww0 s TYR 92 Ca 0.43 0.02 -0.03 0.00 -1.41 0.00 0.00 57.07 56.08 2ww0 s TYR 92 Cb -0.01 0.52 -0.01 0.00 -1.10 0.00 0.00 41.96 41.35 2ww0 s TYR 92 CO 0.25 -0.94 0.88 0.41 -2.51 0.00 0.00 175.55 173.65 2ww0 n GLY 93 N -0.37 -0.55 3.14 5.49 0.00 -1.23 -3.80 105.19 107.87 2ww0 n GLY 93 Ca -0.12 0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 2ww0 n GLY 93 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ww0 s GLN 94 N -5.39 2.36 0.23 1.61 -2.07 -1.26 -4.52 119.66 110.62 2ww0 s GLN 94 Ca 0.13 -0.67 -0.12 0.00 -1.82 0.00 0.00 55.36 52.88 2ww0 s GLN 94 Cb -0.02 -1.86 -0.01 0.00 -1.09 0.00 0.00 33.01 30.03 2ww0 s GLN 94 CO 0.77 0.14 0.42 -0.59 -1.32 0.00 0.00 175.29 174.71 2ww0 s PHE 95 N 0.39 0.41 0.13 9.60 -0.71 -1.21 -4.61 117.98 121.99 2ww0 s PHE 95 Ca -0.15 -0.76 -0.01 0.00 -1.04 0.00 0.00 56.93 54.98 2ww0 s PHE 95 Cb -0.16 0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.71 2ww0 s PHE 95 CO 0.06 -0.92 0.04 -1.54 -1.34 0.00 0.00 175.22 171.52 2ww0 s SER 96 N -3.02 0.45 0.01 1.98 1.04 -0.64 -0.58 113.70 112.95 2ww0 s SER 96 Ca 0.22 -1.19 0.03 0.00 0.48 0.00 0.00 55.95 55.49 2ww0 s SER 96 Cb 0.01 0.26 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 2ww0 s SER 96 CO 0.07 -0.70 -0.09 -0.51 0.98 0.00 0.00 173.24 173.00 2ww0 s ILE 97 N -3.98 0.66 -0.18 -1.02 2.07 -0.47 -0.76 121.20 117.51 2ww0 s ILE 97 Ca 0.23 -0.56 -0.06 0.00 -1.41 0.00 0.00 60.65 58.85 2ww0 s ILE 97 Cb 0.07 -0.59 0.09 0.00 0.13 0.00 0.00 42.46 42.15 2ww0 s ILE 97 CO 0.01 0.04 0.37 -0.32 -1.91 0.00 0.00 174.94 173.13 2ww0 s MET 98 N -0.58 0.27 0.33 3.50 -2.45 0.15 -0.28 119.30 120.24 2ww0 s MET 98 Ca 0.00 0.90 -0.26 0.00 -1.25 0.00 0.00 55.69 55.09 2ww0 s MET 98 Cb -0.05 0.15 -0.10 0.00 1.25 0.00 0.00 34.83 36.08 2ww0 s MET 98 CO 0.00 -0.29 0.95 -1.25 1.05 0.00 0.00 175.02 175.48 2ww0 s PRO 99 N 2.55 4.55 0.32 4.11 0.04 -1.26 0.43 135.00 145.73 2ww0 s PRO 99 Ca 0.00 1.32 0.02 0.00 0.04 0.00 0.00 61.00 62.38 2ww0 s PRO 99 Cb -0.12 -2.74 -0.00 0.00 0.04 0.00 0.00 34.50 31.67 2ww0 s PRO 99 CO -0.12 0.24 0.39 0.44 0.04 0.00 0.00 177.00 178.00 2ww0 n ILE 100 N 0.45 0.00 -3.80 0.56 -5.35 -0.48 -4.93 119.36 105.81 2ww0 n ILE 100 Ca 0.02 -1.89 -0.13 0.00 -0.27 0.00 0.00 62.75 60.49 2ww0 n ILE 100 Cb 0.50 1.07 -0.09 0.00 -1.74 0.00 0.00 39.64 39.38 2ww0 n ILE 100 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2ww0 s VAL 101 N -2.96 0.06 0.00 7.28 1.01 -1.26 -1.56 120.40 122.96 2ww0 s VAL 101 Ca 0.31 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2ww0 s VAL 101 Cb 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.86 2ww0 s VAL 101 CO 0.22 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.67 2ww0 n GLY 102 N 1.59 0.93 3.75 4.51 0.00 -0.14 -4.91 105.19 110.91 2ww0 n GLY 102 Ca -0.21 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 2ww0 n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ww0 s GLN 103 N 0.00 4.78 -0.64 1.61 -1.52 -1.26 -4.80 119.66 117.83 2ww0 s GLN 103 Ca 0.00 1.42 -0.27 0.00 -1.95 0.00 0.00 55.36 54.56 2ww0 s GLN 103 Cb 0.00 -3.30 0.02 0.00 -0.22 0.00 0.00 33.01 29.51 2ww0 s GLN 103 CO 0.00 0.47 1.41 -1.25 -0.25 0.00 0.00 175.29 175.67 2ww0 s PRO 104 N -0.95 3.16 -0.03 2.91 0.04 -1.26 -4.99 135.00 133.88 2ww0 s PRO 104 Ca 0.41 0.18 0.06 0.00 0.04 0.00 0.00 61.00 61.68 2ww0 s PRO 104 Cb -0.25 -4.18 -0.01 0.00 0.04 0.00 0.00 34.50 30.10 2ww0 s PRO 104 CO 0.31 -2.13 -0.20 0.14 0.04 0.00 0.00 177.00 175.15 2ww0 s VAL 105 N 6.32 1.63 -0.15 -0.36 -7.23 -1.26 -5.02 120.40 114.33 2ww0 s VAL 105 Ca 0.47 -0.85 0.18 0.00 -1.81 0.00 0.00 61.98 59.97 2ww0 s VAL 105 Cb -0.10 -1.37 -0.27 0.00 0.56 0.00 0.00 36.38 35.20 2ww0 s VAL 105 CO 0.20 0.46 0.18 0.33 -0.31 0.00 0.00 175.10 175.96 2ww0 n PHE 106 N 2.86 0.00 -1.56 2.82 7.35 -1.26 -4.71 117.46 122.96 2ww0 n PHE 106 Ca -0.17 0.00 -0.48 0.00 -0.76 0.00 0.00 57.45 56.04 2ww0 n PHE 106 Cb 0.53 -0.83 -0.03 0.00 0.35 0.00 0.00 39.48 39.49 2ww0 n PHE 106 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2ww0 n ASP 107 N -2.59 1.00 0.05 -2.13 -0.08 -1.26 -4.85 116.55 106.70 2ww0 n ASP 107 Ca -0.24 1.15 0.12 0.00 -1.51 0.00 0.00 54.79 54.31 2ww0 n ASP 107 Cb 0.97 -1.19 0.46 0.00 2.34 0.00 0.00 41.12 43.70 2ww0 n ASP 107 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2ww0 n GLU 108 N 1.41 0.10 -0.11 -0.67 0.28 -1.26 -1.76 120.64 118.63 2ww0 n GLU 108 Ca 0.14 0.20 -0.24 0.00 -0.16 0.00 0.00 57.16 57.11 2ww0 n GLU 108 Cb 0.26 -1.65 -0.12 0.00 1.43 0.00 0.00 31.44 31.37 2ww0 n GLU 108 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2ww0 n GLU 109 N -1.82 0.63 0.25 3.44 1.02 -1.26 -4.02 120.64 118.88 2ww0 n GLU 109 Ca 0.05 0.30 0.07 0.00 -0.02 0.00 0.00 57.16 57.56 2ww0 n GLU 109 Cb 0.29 -1.59 0.61 0.00 -0.02 0.00 0.00 31.44 30.74 2ww0 n GLU 109 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2ww0 h LYS 110 N -0.55 0.00 -0.00 3.49 1.57 -1.92 -1.45 116.57 117.71 2ww0 h LYS 110 Ca -0.55 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2ww0 h LYS 110 Cb 1.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.01 2ww0 h LYS 110 CO -0.21 0.04 -0.36 2.89 -0.57 0.00 0.00 179.45 181.25 2ww0 n ARG 111 N -4.48 0.14 -2.07 3.15 1.85 -0.72 -4.94 116.66 109.58 2ww0 n ARG 111 Ca -0.03 -0.07 -0.34 0.00 -1.00 0.00 0.00 57.85 56.41 2ww0 n ARG 111 Cb 0.12 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.05 2ww0 n ARG 111 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ww0 s ALA 112 N -2.91 2.62 -0.01 2.89 0.00 -0.55 -4.93 121.76 118.87 2ww0 s ALA 112 Ca 0.14 0.70 0.05 0.00 0.00 0.00 0.00 51.96 52.85 2ww0 s ALA 112 Cb 0.18 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 2ww0 s ALA 112 CO 0.63 -0.95 -0.16 0.45 0.00 0.00 0.00 175.76 175.73 2ww0 s SER 113 N -2.11 1.91 0.70 0.00 0.15 -0.51 -4.94 113.70 108.90 2ww0 s SER 113 Ca 0.70 -0.30 -0.16 0.00 0.70 0.00 0.00 55.95 56.89 2ww0 s SER 113 Cb -0.22 -0.23 -0.02 0.00 -1.71 0.00 0.00 66.02 63.84 2ww0 s SER 113 CO 0.33 0.20 0.75 0.79 1.20 0.00 0.00 173.24 176.50 2ww0 n TRP 114 N 2.70 -0.04 -3.86 3.44 7.02 -1.26 -0.62 117.44 124.82 2ww0 n TRP 114 Ca -0.15 0.38 -0.08 0.00 -1.02 0.00 0.00 57.50 56.64 2ww0 n TRP 114 Cb 0.54 -2.01 -0.01 0.00 -2.42 0.00 0.00 31.31 27.42 2ww0 n TRP 114 CO 0.00 0.00 0.00 -0.59 -2.02 0.00 0.00 177.69 175.08 2ww0 s PHE 115 N -1.82 -0.03 0.03 -5.99 -0.71 -0.54 -1.37 117.98 107.54 2ww0 s PHE 115 Ca 0.70 -0.47 0.00 0.00 -1.04 0.00 0.00 56.93 56.12 2ww0 s PHE 115 Cb -0.36 0.69 -0.02 0.00 -1.21 0.00 0.00 43.02 42.11 2ww0 s PHE 115 CO 0.53 -1.31 -0.04 0.00 -1.34 0.00 0.00 175.22 173.06 2ww0 s ALA 116 N -3.48 0.29 0.44 1.99 0.00 -1.26 -4.80 121.76 114.94 2ww0 s ALA 116 Ca 0.14 -0.72 0.10 0.00 0.00 0.00 0.00 51.96 51.48 2ww0 s ALA 116 Cb -0.05 0.14 0.96 0.00 0.00 0.00 0.00 23.12 24.17 2ww0 s ALA 116 CO 0.09 -0.15 2.06 0.45 0.00 0.00 0.00 175.76 178.20 2ww0 h HIS 117 N 4.40 0.32 0.00 0.00 3.86 -1.95 0.45 115.15 122.24 2ww0 h HIS 117 Ca -0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 2ww0 h HIS 117 Cb 1.20 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.56 2ww0 h HIS 117 CO 0.64 0.24 0.00 1.63 0.86 0.00 0.00 177.93 181.30 2ww0 n LYS 118 N -4.46 0.08 -0.28 2.45 5.02 -1.26 -1.53 118.16 118.19 2ww0 n LYS 118 Ca 0.01 0.25 0.07 0.00 -2.02 0.00 0.00 58.31 56.61 2ww0 n LYS 118 Cb 0.11 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 33.81 2ww0 n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ww0 n GLY 119 N -0.41 3.15 3.17 0.72 0.00 0.16 -4.99 105.19 106.98 2ww0 n GLY 119 Ca 0.04 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 2ww0 n GLY 119 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ww0 s GLU 120 N -1.59 1.43 -0.17 1.61 2.12 -0.58 -1.83 118.70 119.69 2ww0 s GLU 120 Ca 0.30 -0.63 -0.01 0.00 0.36 0.00 0.00 54.97 54.99 2ww0 s GLU 120 Cb 0.20 -1.38 0.05 0.00 0.26 0.00 0.00 34.13 33.25 2ww0 s GLU 120 CO 0.14 0.38 -0.03 0.08 -0.54 0.00 0.00 175.26 175.29 2ww0 s VAL 121 N -0.42 0.99 -0.19 3.70 1.01 0.51 -4.94 120.40 121.06 2ww0 s VAL 121 Ca 0.07 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 2ww0 s VAL 121 Cb -0.07 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 2ww0 s VAL 121 CO -0.01 0.05 -0.08 0.00 0.00 0.00 0.00 175.10 175.06 2ww0 s ALA 122 N 1.68 2.71 0.11 5.51 0.00 -1.26 -1.11 121.76 129.40 2ww0 s ALA 122 Ca -0.00 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 50.88 2ww0 s ALA 122 Cb -0.16 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 2ww0 s ALA 122 CO -0.07 -0.26 -0.08 0.95 0.00 0.00 0.00 175.76 176.30 2ww0 s THR 123 N 1.18 0.86 0.53 0.00 -4.23 -0.16 -4.50 115.64 109.32 2ww0 s THR 123 Ca 0.02 -1.97 0.25 0.00 -1.18 0.00 0.00 61.69 58.81 2ww0 s THR 123 Cb -0.14 -1.73 0.40 0.00 1.34 0.00 0.00 72.50 72.36 2ww0 s THR 123 CO -0.03 -0.82 1.99 -0.65 -0.54 0.00 0.00 174.62 174.57 2ww0 h PRO 124 N 2.92 0.02 -0.01 3.99 0.11 -1.88 -2.77 132.00 134.38 2ww0 h PRO 124 Ca -0.36 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2ww0 h PRO 124 Cb 1.17 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2ww0 h PRO 124 CO 0.64 0.01 -0.17 2.48 -0.21 0.00 0.00 178.00 180.75 2ww0 n TYR 125 N -4.38 0.00 -3.63 0.65 4.11 -1.26 -1.68 117.16 110.96 2ww0 n TYR 125 Ca 0.10 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.89 2ww0 n TYR 125 Cb 0.60 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.87 2ww0 n TYR 125 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 2ww0 s TYR 126 N -1.43 -0.89 -0.02 -3.48 5.04 -1.04 -4.29 117.35 111.23 2ww0 s TYR 126 Ca 0.12 2.01 0.01 0.00 -2.44 0.00 0.00 57.07 56.77 2ww0 s TYR 126 Cb 0.11 0.41 0.01 0.00 0.35 0.00 0.00 41.96 42.84 2ww0 s TYR 126 CO 0.27 -0.44 -0.02 -0.47 -1.34 0.00 0.00 175.55 173.55 2ww0 s TYR 127 N 0.85 0.40 0.01 4.97 5.04 -0.40 -0.99 117.35 127.24 2ww0 s TYR 127 Ca -0.04 -0.06 0.01 0.00 -2.44 0.00 0.00 57.07 54.54 2ww0 s TYR 127 Cb -0.05 -0.38 -0.01 0.00 0.35 0.00 0.00 41.96 41.87 2ww0 s TYR 127 CO -0.07 -0.09 -0.05 0.21 -1.34 0.00 0.00 175.55 174.22 2ww0 s LYS 128 N 0.53 0.38 -0.09 4.97 2.20 -0.27 -0.65 119.74 126.82 2ww0 s LYS 128 Ca -0.06 -0.37 -0.24 0.00 -0.36 0.00 0.00 55.97 54.94 2ww0 s LYS 128 Cb -0.09 -0.26 0.05 0.00 -1.51 0.00 0.00 37.83 36.03 2ww0 s LYS 128 CO -0.01 0.06 0.56 0.54 -0.36 0.00 0.00 175.35 176.15 2ww0 s VAL 129 N -0.62 0.01 -0.28 4.02 0.11 -0.59 -0.36 120.40 122.71 2ww0 s VAL 129 Ca -0.04 -0.12 -0.11 0.00 -2.93 0.00 0.00 61.98 58.79 2ww0 s VAL 129 Cb -0.05 -0.86 -0.05 0.00 -1.53 0.00 0.00 36.38 33.90 2ww0 s VAL 129 CO -0.00 -0.07 0.18 -0.47 -3.33 0.00 0.00 175.10 171.42 2ww0 s TYR 130 N -0.83 3.22 -0.60 1.54 5.04 -0.76 -1.24 117.35 123.72 2ww0 s TYR 130 Ca -0.09 0.10 -0.22 0.00 -2.44 0.00 0.00 57.07 54.42 2ww0 s TYR 130 Cb -0.02 -2.37 0.07 0.00 0.35 0.00 0.00 41.96 39.98 2ww0 s TYR 130 CO 0.06 -0.16 0.86 -0.51 -1.34 0.00 0.00 175.55 174.47 2ww0 s LEU 131 N 1.72 4.55 0.42 6.97 1.43 0.93 -4.62 118.68 130.07 2ww0 s LEU 131 Ca 0.07 -0.88 0.18 0.00 -1.03 0.00 0.00 54.13 52.48 2ww0 s LEU 131 Cb -0.16 -2.51 0.92 0.00 0.03 0.00 0.00 46.19 44.47 2ww0 s LEU 131 CO 0.10 -1.25 1.87 0.00 0.23 0.00 0.00 176.35 177.31 2ww0 h ALA 132 N 9.35 1.26 -0.00 4.21 0.00 -1.52 -0.07 119.26 132.50 2ww0 h ALA 132 Ca -0.28 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2ww0 h ALA 132 Cb 1.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2ww0 h ALA 132 CO 1.11 0.37 -0.21 0.39 0.00 0.00 0.00 179.25 180.91 2ww0 n GLU 133 N -3.82 0.15 -0.00 0.00 1.02 -1.26 -3.59 120.64 113.14 2ww0 n GLU 133 Ca -0.01 -0.05 0.01 0.00 -0.02 0.00 0.00 57.16 57.09 2ww0 n GLU 133 Cb 0.38 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.29 2ww0 n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2ww0 n HIS 134 N -1.38 0.00 -3.48 -0.32 8.25 -0.90 -4.95 115.22 112.44 2ww0 n HIS 134 Ca 0.08 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.34 2ww0 n HIS 134 Cb 0.32 -0.01 0.08 0.00 1.12 0.00 0.00 29.99 31.51 2ww0 n HIS 134 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2ww0 n ASP 135 N -1.15 -3.97 -4.11 0.41 2.03 -0.09 -4.72 116.55 104.95 2ww0 n ASP 135 Ca 0.00 -0.57 -0.26 0.00 0.52 0.00 0.00 54.79 54.49 2ww0 n ASP 135 Cb 0.05 -5.00 -0.16 0.00 -0.72 0.00 0.00 41.12 35.29 2ww0 n ASP 135 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ww0 s ILE 136 N -3.34 1.36 -0.23 5.18 1.01 -1.14 -3.67 121.20 120.38 2ww0 s ILE 136 Ca 0.26 -0.67 -0.10 0.00 0.00 0.00 0.00 60.65 60.14 2ww0 s ILE 136 Cb -0.11 -1.18 -0.05 0.00 0.01 0.00 0.00 42.46 41.13 2ww0 s ILE 136 CO 0.72 0.40 0.14 -0.69 0.00 0.00 0.00 174.94 175.50 2ww0 s VAL 137 N 0.15 5.29 -0.12 2.92 1.01 -0.88 -0.05 120.40 128.72 2ww0 s VAL 137 Ca -0.06 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 2ww0 s VAL 137 Cb -0.12 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 2ww0 s VAL 137 CO 0.02 0.38 -0.08 -0.89 0.00 0.00 0.00 175.10 174.54 2ww0 s THR 138 N 0.85 3.59 0.01 3.92 2.01 -0.38 -0.59 115.64 125.05 2ww0 s THR 138 Ca 0.07 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.62 2ww0 s THR 138 Cb -0.13 -2.52 -0.01 0.00 0.01 0.00 0.00 72.50 69.85 2ww0 s THR 138 CO 0.03 0.54 -0.12 -1.61 -0.69 0.00 0.00 174.62 172.76 2ww0 s GLU 139 N -0.02 0.88 -0.00 4.92 2.02 -0.63 -1.54 118.70 124.33 2ww0 s GLU 139 Ca -0.01 -0.55 0.01 0.00 0.02 0.00 0.00 54.97 54.44 2ww0 s GLU 139 Cb -0.14 -0.86 0.00 0.00 0.10 0.00 0.00 34.13 33.24 2ww0 s GLU 139 CO 0.03 0.22 -0.02 0.00 0.02 0.00 0.00 175.26 175.51 2ww0 s MET 140 N -0.66 0.20 -0.08 1.61 0.23 0.18 -0.49 119.30 120.27 2ww0 s MET 140 Ca 0.02 -0.07 -0.00 0.00 -1.03 0.00 0.00 55.69 54.61 2ww0 s MET 140 Cb -0.06 -0.20 0.02 0.00 -1.53 0.00 0.00 34.83 33.06 2ww0 s MET 140 CO 0.00 0.04 -0.04 0.95 -2.03 0.00 0.00 175.02 173.94 2ww0 s THR 141 N 0.02 0.66 0.37 3.16 -4.23 -0.52 -1.27 115.64 113.83 2ww0 s THR 141 Ca 0.00 -0.09 0.05 0.00 -1.18 0.00 0.00 61.69 60.47 2ww0 s THR 141 Cb -0.02 -0.74 -0.01 0.00 1.34 0.00 0.00 72.50 73.08 2ww0 s THR 141 CO -0.00 0.30 0.53 -2.16 -0.54 0.00 0.00 174.62 172.74 2ww0 s PRO 142 N 1.62 3.10 0.00 3.99 0.04 -1.26 -1.05 135.00 141.44 2ww0 s PRO 142 Ca 0.01 -0.84 0.00 0.00 0.04 0.00 0.00 61.00 60.21 2ww0 s PRO 142 Cb -0.13 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.67 2ww0 s PRO 142 CO -0.05 -0.04 0.00 0.25 0.04 0.00 0.00 177.00 177.21 2ww0 n THR 143 N -1.78 0.00 -0.20 1.26 -2.24 0.18 -4.72 114.28 106.79 2ww0 n THR 143 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 2ww0 n THR 143 Cb 0.58 -0.06 0.14 0.00 -2.10 0.00 0.00 70.33 68.89 2ww0 n THR 143 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2ww0 h GLU 144 N 0.00 0.99 0.00 -0.78 5.08 -1.94 -3.34 114.58 114.60 2ww0 h GLU 144 Ca 0.00 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2ww0 h GLU 144 Cb 0.00 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.10 2ww0 h GLU 144 CO 0.00 0.85 0.00 0.54 -1.00 0.00 0.00 179.01 179.40 2ww0 n ARG 145 N -4.27 3.73 -4.50 2.33 1.74 -1.26 -1.30 116.66 113.12 2ww0 n ARG 145 Ca 0.05 -0.08 -0.24 0.00 -0.77 0.00 0.00 57.85 56.82 2ww0 n ARG 145 Cb 0.21 -0.47 -0.10 0.00 -1.02 0.00 0.00 32.46 31.09 2ww0 n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ww0 s ALA 146 N -0.55 2.68 -0.02 7.54 0.00 -1.25 -3.37 121.76 126.79 2ww0 s ALA 146 Ca 0.00 -1.76 -0.20 0.00 0.00 0.00 0.00 51.96 50.00 2ww0 s ALA 146 Cb 0.00 0.60 0.04 0.00 0.00 0.00 0.00 23.12 23.76 2ww0 s ALA 146 CO 0.00 -0.28 0.44 0.54 0.00 0.00 0.00 175.76 176.46 2ww0 s VAL 147 N -3.20 0.04 -0.17 0.00 0.11 -0.14 0.50 120.40 117.53 2ww0 s VAL 147 Ca 0.31 -0.32 -0.01 0.00 -2.93 0.00 0.00 61.98 59.02 2ww0 s VAL 147 Cb 0.07 -0.79 -0.01 0.00 -1.53 0.00 0.00 36.38 34.12 2ww0 s VAL 147 CO 0.15 -0.18 -0.11 -0.22 -3.33 0.00 0.00 175.10 171.41 2ww0 s LEU 148 N -1.40 2.69 -0.05 2.54 2.96 -0.21 -1.20 118.68 124.00 2ww0 s LEU 148 Ca -0.11 -0.41 -0.07 0.00 -0.22 0.00 0.00 54.13 53.32 2ww0 s LEU 148 Cb -0.03 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 2ww0 s LEU 148 CO 0.05 0.06 0.21 -0.36 -1.32 0.00 0.00 176.35 174.99 2ww0 s PHE 149 N 0.97 3.60 -0.17 5.38 0.40 -0.32 -1.44 117.98 126.39 2ww0 s PHE 149 Ca -0.02 0.56 -0.00 0.00 -0.60 0.00 0.00 56.93 56.87 2ww0 s PHE 149 Cb -0.15 -1.97 0.04 0.00 0.51 0.00 0.00 43.02 41.45 2ww0 s PHE 149 CO -0.01 0.68 -0.07 0.50 0.70 0.00 0.00 175.22 177.01 2ww0 s ARG 150 N -1.42 1.63 -0.25 0.44 3.52 0.35 -1.09 118.95 122.13 2ww0 s ARG 150 Ca 0.22 -0.58 -0.10 0.00 -0.13 0.00 0.00 55.73 55.13 2ww0 s ARG 150 Cb -0.13 -2.09 -0.05 0.00 -1.56 0.00 0.00 34.95 31.12 2ww0 s ARG 150 CO 0.11 -0.41 0.16 -0.06 -0.81 0.00 0.00 175.30 174.30 2ww0 s PHE 151 N 1.57 3.26 -0.43 5.12 0.40 0.30 -1.61 117.98 126.61 2ww0 s PHE 151 Ca 0.01 0.15 -0.15 0.00 -0.60 0.00 0.00 56.93 56.33 2ww0 s PHE 151 Cb -0.15 -2.31 0.03 0.00 0.51 0.00 0.00 43.02 41.10 2ww0 s PHE 151 CO -0.08 -0.04 0.34 0.99 0.70 0.00 0.00 175.22 177.13 2ww0 s THR 152 N 1.34 5.23 0.33 0.64 2.01 0.24 -1.12 115.64 124.32 2ww0 s THR 152 Ca 0.07 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.31 2ww0 s THR 152 Cb -0.15 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 2ww0 s THR 152 CO 0.07 -0.39 0.59 -0.36 -0.69 0.00 0.00 174.62 173.84 2ww0 s PHE 153 N 1.73 3.49 0.83 4.92 0.08 -0.11 -2.07 117.98 126.86 2ww0 s PHE 153 Ca 0.06 0.62 -0.09 0.00 0.12 0.00 0.00 56.93 57.63 2ww0 s PHE 153 Cb -0.20 -2.10 0.14 0.00 -0.57 0.00 0.00 43.02 40.30 2ww0 s PHE 153 CO 0.10 0.09 1.15 -1.25 -0.10 0.00 0.00 175.22 175.20 2ww0 s PRO 154 N -3.89 1.34 -0.18 0.24 0.04 -1.24 -0.64 135.00 130.67 2ww0 s PRO 154 Ca 0.44 -0.59 -0.29 0.00 0.04 0.00 0.00 61.00 60.59 2ww0 s PRO 154 Cb -0.10 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 2ww0 s PRO 154 CO 0.33 -1.83 1.53 -2.00 0.04 0.00 0.00 177.00 175.07 2ww0 s GLU 155 N -5.51 3.97 -0.09 4.56 2.12 -1.26 -4.33 118.70 118.17 2ww0 s GLU 155 Ca 0.68 1.74 -0.26 0.00 0.36 0.00 0.00 54.97 57.50 2ww0 s GLU 155 Cb -0.06 -3.96 0.06 0.00 0.26 0.00 0.00 34.13 30.43 2ww0 s GLU 155 CO 0.48 -1.07 0.60 1.21 -0.54 0.00 0.00 175.26 175.94 2ww0 s ASN 156 N 3.49 -0.57 0.14 -1.70 3.84 -0.69 -4.89 114.94 114.55 2ww0 s ASN 156 Ca 0.67 0.75 0.26 0.00 0.21 0.00 0.00 52.86 54.76 2ww0 s ASN 156 Cb -0.25 0.69 0.82 0.00 -0.55 0.00 0.00 41.25 41.96 2ww0 s ASN 156 CO 0.26 -0.48 1.73 0.47 -2.79 0.00 0.00 177.10 176.29 2ww0 n ASP 157 N 1.45 0.60 -3.62 -4.21 8.00 -1.26 -0.69 116.55 116.82 2ww0 n ASP 157 Ca -0.18 0.45 -0.28 0.00 0.71 0.00 0.00 54.79 55.49 2ww0 n ASP 157 Cb 0.56 -0.54 -0.11 0.00 -0.02 0.00 0.00 41.12 41.01 2ww0 n ASP 157 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2ww0 s HIS 158 N -3.08 2.01 -0.12 1.24 3.76 -1.26 -4.21 115.29 113.64 2ww0 s HIS 158 Ca 0.11 -2.61 -0.03 0.00 -0.15 0.00 0.00 55.06 52.37 2ww0 s HIS 158 Cb 0.14 -1.67 -0.03 0.00 1.11 0.00 0.00 32.58 32.13 2ww0 s HIS 158 CO 0.61 -0.73 0.01 -1.12 -0.85 0.00 0.00 174.74 172.66 2ww0 s SER 159 N -0.27 5.30 0.25 1.40 0.01 -0.81 -0.97 113.70 118.61 2ww0 s SER 159 Ca 0.26 0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.65 2ww0 s SER 159 Cb -0.06 -1.65 -0.05 0.00 0.21 0.00 0.00 66.02 64.46 2ww0 s SER 159 CO -0.13 0.30 0.04 -0.31 0.41 0.00 0.00 173.24 173.55 2ww0 s TYR 160 N -0.43 1.61 -0.07 2.43 1.51 -0.60 -1.40 117.35 120.40 2ww0 s TYR 160 Ca 0.08 -1.02 0.02 0.00 -1.01 0.00 0.00 57.07 55.14 2ww0 s TYR 160 Cb -0.12 -0.97 0.02 0.00 -0.11 0.00 0.00 41.96 40.78 2ww0 s TYR 160 CO 0.02 -0.14 -0.10 0.08 -1.11 0.00 0.00 175.55 174.31 2ww0 s VAL 161 N -3.52 1.01 -0.14 0.71 1.01 0.32 -1.38 120.40 118.41 2ww0 s VAL 161 Ca 0.33 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 2ww0 s VAL 161 Cb 0.07 -0.95 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 2ww0 s VAL 161 CO 0.11 0.33 0.22 -0.69 0.00 0.00 0.00 175.10 175.08 2ww0 s VAL 162 N 0.90 5.36 -0.15 2.92 1.01 0.17 -1.90 120.40 128.71 2ww0 s VAL 162 Ca -0.10 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.27 2ww0 s VAL 162 Cb -0.15 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.69 2ww0 s VAL 162 CO 0.01 0.48 -0.16 -0.69 0.00 0.00 0.00 175.10 174.74 2ww0 s VAL 163 N -0.10 2.62 -0.21 2.92 1.01 0.11 -0.68 120.40 126.07 2ww0 s VAL 163 Ca 0.14 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2ww0 s VAL 163 Cb -0.13 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.19 2ww0 s VAL 163 CO 0.03 0.52 -0.16 -0.62 0.00 0.00 0.00 175.10 174.88 2ww0 s ASP 164 N 0.76 3.61 0.00 3.32 -1.08 0.06 -0.89 116.67 122.45 2ww0 s ASP 164 Ca -0.06 -0.81 0.27 0.00 -0.52 0.00 0.00 52.55 51.42 2ww0 s ASP 164 Cb -0.15 -1.53 0.85 0.00 -1.46 0.00 0.00 42.92 40.63 2ww0 s ASP 164 CO 0.01 -0.05 1.63 0.00 0.52 0.00 0.00 175.17 177.27 2ww0 n ALA 165 N 4.60 2.55 -0.58 3.66 0.00 -0.76 -1.61 120.51 128.36 2ww0 n ALA 165 Ca -0.19 -0.50 0.08 0.00 0.00 0.00 0.00 53.44 52.83 2ww0 n ALA 165 Cb 0.48 -1.09 -0.02 0.00 0.00 0.00 0.00 19.45 18.82 2ww0 n ALA 165 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2ww0 n PHE 166 N 0.44 -1.48 -2.20 0.00 3.01 -1.26 -4.51 117.46 111.46 2ww0 n PHE 166 Ca 0.18 0.75 0.00 0.00 1.01 0.00 0.00 57.45 59.38 2ww0 n PHE 166 Cb 0.41 -1.34 0.00 0.00 -0.01 0.00 0.00 39.48 38.54 2ww0 n PHE 166 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2ww0 n ASP 167 N -2.56 0.28 -0.60 4.37 5.68 -1.26 -3.91 116.55 118.54 2ww0 n ASP 167 Ca -0.00 -0.06 -0.08 0.00 -0.50 0.00 0.00 54.79 54.16 2ww0 n ASP 167 Cb 0.27 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.22 2ww0 n ASP 167 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2ww0 n LYS 168 N -0.05 -0.54 0.00 0.11 4.76 -0.92 -3.64 118.16 117.88 2ww0 n LYS 168 Ca 0.00 0.76 0.00 0.00 -2.87 0.00 0.00 58.31 56.20 2ww0 n LYS 168 Cb 0.00 -4.58 0.00 0.00 -1.84 0.00 0.00 35.03 28.61 2ww0 n LYS 168 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ww0 n GLY 169 N -2.01 0.46 2.46 0.72 0.00 0.96 -4.70 105.19 103.08 2ww0 n GLY 169 Ca -0.08 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 2ww0 n GLY 169 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ww0 n SER 170 N 0.00 -0.75 -3.74 1.61 3.41 0.07 -3.58 113.62 110.63 2ww0 n SER 170 Ca 0.00 -2.54 -0.13 0.00 -0.26 0.00 0.00 58.87 55.93 2ww0 n SER 170 Cb 0.00 1.55 -0.10 0.00 -0.26 0.00 0.00 64.21 65.40 2ww0 n SER 170 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2ww0 s TYR 171 N -3.20 -0.38 0.00 7.33 5.04 -0.63 -2.44 117.35 123.07 2ww0 s TYR 171 Ca 0.26 0.89 -0.05 0.00 -2.44 0.00 0.00 57.07 55.73 2ww0 s TYR 171 Cb 0.00 0.14 -0.00 0.00 0.35 0.00 0.00 41.96 42.46 2ww0 s TYR 171 CO 0.19 -0.25 0.10 -1.50 -1.34 0.00 0.00 175.55 172.75 2ww0 s ILE 172 N -0.13 0.08 -0.21 3.14 1.10 -0.52 -0.81 121.20 123.85 2ww0 s ILE 172 Ca -0.03 -0.65 -0.12 0.00 -0.51 0.00 0.00 60.65 59.33 2ww0 s ILE 172 Cb -0.03 -0.37 0.07 0.00 0.15 0.00 0.00 42.46 42.28 2ww0 s ILE 172 CO 0.01 -0.36 0.52 -0.75 -2.11 0.00 0.00 174.94 172.26 2ww0 s LYS 173 N -1.23 0.52 -0.22 3.50 2.20 0.14 -1.22 119.74 123.43 2ww0 s LYS 173 Ca -0.13 0.95 -0.10 0.00 -0.36 0.00 0.00 55.97 56.33 2ww0 s LYS 173 Cb -0.07 0.05 -0.05 0.00 -1.51 0.00 0.00 37.83 36.25 2ww0 s LYS 173 CO 0.01 -0.15 0.15 0.42 -0.36 0.00 0.00 175.35 175.41 2ww0 s ILE 174 N 1.45 5.35 -0.64 5.43 1.01 0.38 -1.27 121.20 132.91 2ww0 s ILE 174 Ca -0.09 0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.72 2ww0 s ILE 174 Cb -0.07 -3.47 0.16 0.00 0.01 0.00 0.00 42.46 39.09 2ww0 s ILE 174 CO -0.15 0.38 0.45 -0.63 0.00 0.00 0.00 174.94 175.00 2ww0 s ILE 175 N 0.79 3.58 0.25 2.92 1.09 0.45 -4.90 121.20 125.39 2ww0 s ILE 175 Ca 0.08 -3.18 -0.05 0.00 -1.10 0.00 0.00 60.65 56.40 2ww0 s ILE 175 Cb -0.13 -3.34 0.24 0.00 -1.06 0.00 0.00 42.46 38.17 2ww0 s ILE 175 CO 0.02 -0.90 1.87 -0.65 -0.10 0.00 0.00 174.94 175.19 2ww0 h PRO 176 N 6.75 1.07 0.00 2.79 0.11 -1.96 -1.51 132.00 139.26 2ww0 h PRO 176 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2ww0 h PRO 176 Cb 0.92 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.79 2ww0 h PRO 176 CO 0.72 0.71 0.00 0.39 -0.21 0.00 0.00 178.00 179.61 2ww0 n GLU 177 N -4.54 0.40 -0.21 1.05 4.71 -1.26 -0.98 120.64 119.81 2ww0 n GLU 177 Ca 0.13 0.01 0.03 0.00 -0.01 0.00 0.00 57.16 57.33 2ww0 n GLU 177 Cb 0.15 -1.50 0.05 0.00 -1.01 0.00 0.00 31.44 29.13 2ww0 n GLU 177 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2ww0 n GLU 178 N -1.02 0.84 -4.17 3.49 1.02 -0.75 -5.00 120.64 115.05 2ww0 n GLU 178 Ca 0.10 -1.50 -0.33 0.00 -0.02 0.00 0.00 57.16 55.41 2ww0 n GLU 178 Cb 0.05 -0.90 -0.04 0.00 -0.02 0.00 0.00 31.44 30.54 2ww0 n GLU 178 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2ww0 n ASN 179 N -0.54 -1.84 -4.13 1.62 3.02 -0.15 -4.73 115.26 108.51 2ww0 n ASN 179 Ca 0.05 -1.05 -0.20 0.00 -0.03 0.00 0.00 54.58 53.34 2ww0 n ASN 179 Cb 0.58 -2.65 -0.14 0.00 -0.61 0.00 0.00 39.78 36.96 2ww0 n ASN 179 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2ww0 s LYS 180 N -6.88 0.97 -0.08 3.52 2.20 -0.64 -0.77 119.74 118.06 2ww0 s LYS 180 Ca 0.44 -0.69 0.04 0.00 -0.36 0.00 0.00 55.97 55.39 2ww0 s LYS 180 Cb -0.24 -0.97 0.00 0.00 -1.51 0.00 0.00 37.83 35.11 2ww0 s LYS 180 CO 0.93 0.25 -0.19 0.42 -0.36 0.00 0.00 175.35 176.40 2ww0 s ILE 181 N -0.72 1.62 0.28 5.43 1.01 0.22 -0.41 121.20 128.63 2ww0 s ILE 181 Ca 0.02 -0.78 0.10 0.00 0.00 0.00 0.00 60.65 60.00 2ww0 s ILE 181 Cb -0.07 -1.42 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 2ww0 s ILE 181 CO 0.01 0.46 -0.14 0.27 0.00 0.00 0.00 174.94 175.54 2ww0 s ILE 182 N 0.38 2.16 -0.05 2.92 -4.36 -0.40 0.21 121.20 122.07 2ww0 s ILE 182 Ca -0.14 -2.28 -0.30 0.00 -0.26 0.00 0.00 60.65 57.67 2ww0 s ILE 182 Cb -0.16 -2.37 0.11 0.00 1.25 0.00 0.00 42.46 41.29 2ww0 s ILE 182 CO 0.06 -0.37 1.33 -0.83 0.24 0.00 0.00 174.94 175.37 2ww0 s GLY 183 N -3.49 -0.23 0.06 6.27 0.00 -0.60 -0.68 107.32 108.65 2ww0 s GLY 183 Ca 0.29 0.26 0.03 0.00 0.00 0.00 0.00 44.72 45.30 2ww0 s GLY 183 CO 0.13 4.65 -0.09 -2.52 0.00 0.00 0.00 173.10 175.28 2ww0 s TYR 184 N -2.07 0.83 0.12 1.90 -0.85 0.01 -0.35 117.35 116.95 2ww0 s TYR 184 Ca 0.27 -0.57 0.10 0.00 -0.52 0.00 0.00 57.07 56.34 2ww0 s TYR 184 Cb 0.01 -0.48 -0.04 0.00 0.38 0.00 0.00 41.96 41.83 2ww0 s TYR 184 CO -0.02 -0.06 -0.25 -0.08 -1.52 0.00 0.00 175.55 173.61 2ww0 s THR 185 N -1.83 2.11 0.00 -3.49 -1.32 -0.37 -1.61 115.64 109.14 2ww0 s THR 185 Ca -0.04 -1.69 0.00 0.00 -1.21 0.00 0.00 61.69 58.75 2ww0 s THR 185 Cb -0.07 -1.88 0.00 0.00 -1.51 0.00 0.00 72.50 69.05 2ww0 s THR 185 CO -0.00 0.06 0.00 0.35 -2.21 0.00 0.00 174.62 172.82 2ww0 n THR 186 N 0.98 0.00 -1.65 5.08 -2.24 -1.24 -1.37 114.28 113.84 2ww0 n THR 186 Ca -0.18 -0.12 -0.53 0.00 -2.27 0.00 0.00 64.05 60.95 2ww0 n THR 186 Cb 0.53 0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 69.39 2ww0 n THR 186 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2ww0 n ARG 187 N -0.45 1.38 -4.19 -0.78 0.63 -1.24 -4.74 116.66 107.26 2ww0 n ARG 187 Ca 0.00 0.50 -0.17 0.00 -0.92 0.00 0.00 57.85 57.26 2ww0 n ARG 187 Cb 0.00 -2.19 -0.06 0.00 0.45 0.00 0.00 32.46 30.65 2ww0 n ARG 187 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2ww0 s ASN 188 N 1.93 1.30 -0.12 6.15 4.22 -1.26 -3.56 114.94 123.59 2ww0 s ASN 188 Ca 0.89 -1.63 0.16 0.00 -2.14 0.00 0.00 52.86 50.14 2ww0 s ASN 188 Cb -0.93 0.60 0.31 0.00 1.28 0.00 0.00 41.25 42.51 2ww0 s ASN 188 CO 0.52 -1.17 1.20 -1.20 -2.04 0.00 0.00 177.10 174.42 2ww0 n SER 189 N -1.46 2.72 0.00 3.54 7.64 -1.06 -4.97 113.62 120.03 2ww0 n SER 189 Ca 0.04 -2.88 0.00 0.00 1.01 0.00 0.00 58.87 57.05 2ww0 n SER 189 Cb 0.62 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 2ww0 n SER 189 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ww0 n GLY 190 N -0.99 1.37 2.99 0.23 0.00 -1.26 -5.04 105.19 102.49 2ww0 n GLY 190 Ca 0.15 -2.23 -0.18 0.00 0.00 0.00 0.00 46.02 43.76 2ww0 n GLY 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww0 n GLY 191 N -0.72 -0.17 3.10 -0.02 0.00 -1.26 -4.60 105.19 101.52 2ww0 n GLY 191 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 2ww0 n GLY 191 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ww0 s VAL 192 N -3.20 0.72 0.71 1.61 -7.23 -1.26 -0.20 120.40 111.56 2ww0 s VAL 192 Ca 0.40 -1.22 -0.12 0.00 -1.81 0.00 0.00 61.98 59.23 2ww0 s VAL 192 Cb -0.18 -0.83 0.02 0.00 0.56 0.00 0.00 36.38 35.95 2ww0 s VAL 192 CO 0.49 -0.38 1.08 -2.84 -0.31 0.00 0.00 175.10 173.14 2ww0 s PRO 193 N -1.82 2.69 0.44 4.82 0.02 -1.26 -4.93 135.00 134.97 2ww0 s PRO 193 Ca -0.06 1.10 0.15 0.00 0.02 0.00 0.00 61.00 62.21 2ww0 s PRO 193 Cb -0.09 -1.95 1.06 0.00 0.02 0.00 0.00 34.50 33.54 2ww0 s PRO 193 CO 0.01 -1.30 1.98 0.93 -0.33 0.00 0.00 177.00 178.28 2ww0 h GLU 194 N -0.70 0.36 -0.56 5.54 4.39 -1.98 -1.29 114.58 120.34 2ww0 h GLU 194 Ca -0.44 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2ww0 h GLU 194 Cb 1.22 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 2ww0 h GLU 194 CO 0.54 0.24 0.00 0.27 -1.16 0.00 0.00 179.01 178.90 2ww0 n ASN 195 N -4.46 1.91 -4.73 1.42 6.94 -1.26 -4.96 115.26 110.12 2ww0 n ASN 195 Ca 0.10 -2.15 -0.42 0.00 -0.02 0.00 0.00 54.58 52.09 2ww0 n ASN 195 Cb 0.40 -0.36 -0.02 0.00 -2.36 0.00 0.00 39.78 37.44 2ww0 n ASN 195 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2ww0 n PHE 196 N 0.20 2.80 -3.68 -2.53 7.35 -0.49 -5.00 117.46 116.11 2ww0 n PHE 196 Ca 0.08 0.19 -0.14 0.00 -0.76 0.00 0.00 57.45 56.83 2ww0 n PHE 196 Cb 0.38 -2.62 -0.08 0.00 0.35 0.00 0.00 39.48 37.51 2ww0 n PHE 196 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2ww0 s LYS 197 N 0.04 0.69 -0.27 -4.13 1.02 -1.26 -4.83 119.74 110.99 2ww0 s LYS 197 Ca 0.68 0.42 -0.05 0.00 0.02 0.00 0.00 55.97 57.04 2ww0 s LYS 197 Cb -0.51 0.33 0.01 0.00 -0.52 0.00 0.00 37.83 37.14 2ww0 s LYS 197 CO 0.43 -0.14 0.02 1.21 -0.92 0.00 0.00 175.35 175.96 2ww0 s ASN 198 N -0.35 4.80 -0.09 2.83 3.04 -0.47 -4.52 114.94 120.17 2ww0 s ASN 198 Ca -0.05 -0.74 -0.17 0.00 0.04 0.00 0.00 52.86 51.94 2ww0 s ASN 198 Cb -0.03 -1.80 -0.05 0.00 -1.54 0.00 0.00 41.25 37.83 2ww0 s ASN 198 CO 0.03 -0.16 0.45 -0.31 -3.04 0.00 0.00 177.10 174.08 2ww0 s TYR 199 N 1.44 3.56 0.09 0.43 1.51 0.36 -1.23 117.35 123.51 2ww0 s TYR 199 Ca 0.02 0.90 0.04 0.00 -1.01 0.00 0.00 57.07 57.02 2ww0 s TYR 199 Cb -0.17 -2.49 -0.03 0.00 -0.11 0.00 0.00 41.96 39.16 2ww0 s TYR 199 CO -0.00 0.27 -0.11 -0.59 -1.11 0.00 0.00 175.55 174.01 2ww0 s PHE 200 N 0.25 1.10 -0.01 2.71 -0.12 0.53 -0.40 117.98 122.04 2ww0 s PHE 200 Ca 0.25 -0.61 0.02 0.00 -0.05 0.00 0.00 56.93 56.54 2ww0 s PHE 200 Cb -0.15 -0.60 0.00 0.00 -0.63 0.00 0.00 43.02 41.64 2ww0 s PHE 200 CO 0.11 0.02 -0.05 0.42 -0.05 0.00 0.00 175.22 175.66 2ww0 s ILE 201 N -2.19 0.46 -0.12 -4.49 1.01 -0.62 -1.55 121.20 113.70 2ww0 s ILE 201 Ca 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.46 2ww0 s ILE 201 Cb -0.04 -0.41 0.03 0.00 0.01 0.00 0.00 42.46 42.05 2ww0 s ILE 201 CO 0.01 0.14 -0.03 -0.63 0.00 0.00 0.00 174.94 174.43 2ww0 s ILE 202 N 0.05 0.74 -0.19 2.92 1.01 0.13 -2.11 121.20 123.75 2ww0 s ILE 202 Ca -0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.38 2ww0 s ILE 202 Cb -0.04 -0.89 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 2ww0 s ILE 202 CO -0.00 0.22 -0.00 -1.61 0.00 0.00 0.00 174.94 173.55 2ww0 s GLU 203 N 1.81 3.64 -0.00 2.79 2.02 0.16 -0.61 118.70 128.51 2ww0 s GLU 203 Ca 0.04 -0.51 -0.02 0.00 0.02 0.00 0.00 54.97 54.49 2ww0 s GLU 203 Cb -0.13 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 2ww0 s GLU 203 CO -0.07 0.05 0.17 -0.06 0.02 0.00 0.00 175.26 175.37 2ww0 s PHE 204 N 0.91 3.51 -0.41 1.61 0.40 0.06 -0.77 117.98 123.29 2ww0 s PHE 204 Ca 0.01 0.33 0.06 0.00 -0.60 0.00 0.00 56.93 56.73 2ww0 s PHE 204 Cb -0.14 -1.81 0.50 0.00 0.51 0.00 0.00 43.02 42.08 2ww0 s PHE 204 CO 0.02 0.63 1.45 -0.40 0.70 0.00 0.00 175.22 177.62 2ww0 n ASP 205 N 0.91 3.86 -3.72 1.36 5.75 -0.93 -4.77 116.55 119.01 2ww0 n ASP 205 Ca -0.11 -2.81 -0.13 0.00 -0.01 0.00 0.00 54.79 51.73 2ww0 n ASP 205 Cb 0.52 -0.67 -0.13 0.00 -1.03 0.00 0.00 41.12 39.81 2ww0 n ASP 205 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2ww0 s LYS 206 N -2.17 0.17 0.43 0.11 2.36 -1.26 -4.91 119.74 114.47 2ww0 s LYS 206 Ca 0.37 0.52 -0.25 0.00 -2.55 0.00 0.00 55.97 54.06 2ww0 s LYS 206 Cb 0.29 -0.13 -0.08 0.00 -1.05 0.00 0.00 37.83 36.86 2ww0 s LYS 206 CO 0.09 -0.18 1.29 -2.14 1.55 0.00 0.00 175.35 175.96 2ww0 s PRO 207 N 1.40 3.83 0.07 4.03 0.02 -1.26 -4.97 135.00 138.12 2ww0 s PRO 207 Ca -0.08 2.12 -0.30 0.00 0.02 0.00 0.00 61.00 62.76 2ww0 s PRO 207 Cb -0.11 -2.64 -0.05 0.00 0.02 0.00 0.00 34.50 31.72 2ww0 s PRO 207 CO -0.08 -0.60 1.09 -0.06 -0.33 0.00 0.00 177.00 177.02 2ww0 s PHE 208 N -1.30 3.58 -0.17 6.54 0.08 -1.26 -4.82 117.98 120.62 2ww0 s PHE 208 Ca 0.60 1.54 0.21 0.00 0.12 0.00 0.00 56.93 59.40 2ww0 s PHE 208 Cb -0.37 -3.26 -0.31 0.00 -0.57 0.00 0.00 43.02 38.51 2ww0 s PHE 208 CO 0.47 -0.59 0.53 2.41 -0.10 0.00 0.00 175.22 177.94 2ww0 n THR 209 N 3.48 0.00 -4.22 0.64 -1.04 0.51 -4.91 114.28 108.75 2ww0 n THR 209 Ca 0.06 -0.41 -0.17 0.00 -2.04 0.00 0.00 64.05 61.49 2ww0 n THR 209 Cb 0.48 0.17 -0.14 0.00 -1.82 0.00 0.00 70.33 69.02 2ww0 n THR 209 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2ww0 s TYR 210 N -3.39 0.67 -0.13 -1.42 6.14 -0.96 -4.95 117.35 113.30 2ww0 s TYR 210 Ca -0.05 -0.20 -0.13 0.00 0.64 0.00 0.00 57.07 57.32 2ww0 s TYR 210 Cb 0.14 -0.42 0.04 0.00 0.42 0.00 0.00 41.96 42.14 2ww0 s TYR 210 CO 0.88 -0.02 0.38 -1.59 0.64 0.00 0.00 175.55 175.84 2ww0 s LYS 211 N -0.48 0.46 -0.20 4.97 -2.85 -1.26 -1.35 119.74 119.02 2ww0 s LYS 211 Ca 0.00 0.49 -0.26 0.00 -1.00 0.00 0.00 55.97 55.20 2ww0 s LYS 211 Cb -0.04 0.22 0.07 0.00 -2.06 0.00 0.00 37.83 36.02 2ww0 s LYS 211 CO -0.00 -0.06 0.69 0.00 0.10 0.00 0.00 175.35 176.08 2ww0 s ALA 212 N 0.11 -1.73 0.38 0.59 0.00 -0.29 -1.34 121.76 119.49 2ww0 s ALA 212 Ca -0.01 1.78 0.08 0.00 0.00 0.00 0.00 51.96 53.81 2ww0 s ALA 212 Cb -0.03 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 2ww0 s ALA 212 CO 0.01 -0.34 0.40 0.95 0.00 0.00 0.00 175.76 176.78 2ww0 s THR 213 N -0.07 3.15 -0.03 0.00 -4.23 -1.02 -0.67 115.64 112.77 2ww0 s THR 213 Ca -0.03 -1.24 0.04 0.00 -1.18 0.00 0.00 61.69 59.28 2ww0 s THR 213 Cb -0.04 -3.10 -0.00 0.00 1.34 0.00 0.00 72.50 70.70 2ww0 s THR 213 CO 0.03 -0.07 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.21 2ww0 s VAL 214 N -2.36 1.17 -0.28 2.29 1.01 0.30 -0.87 120.40 121.66 2ww0 s VAL 214 Ca 0.47 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 2ww0 s VAL 214 Cb -0.06 -1.00 0.10 0.00 0.00 0.00 0.00 36.38 35.41 2ww0 s VAL 214 CO 0.29 0.34 0.12 -0.70 0.00 0.00 0.00 175.10 175.15 2ww0 s GLU 215 N -0.06 0.33 -1.18 2.72 -6.30 -0.07 -2.31 118.70 111.83 2ww0 s GLU 215 Ca -0.00 -0.63 -0.14 0.00 -2.50 0.00 0.00 54.97 51.70 2ww0 s GLU 215 Cb -0.09 -1.45 -0.01 0.00 0.00 0.00 0.00 34.13 32.58 2ww0 s GLU 215 CO 0.01 -0.97 0.75 0.27 0.02 0.00 0.00 175.26 175.34 2ww0 n ASN 216 N 5.14 -4.33 0.00 -1.70 0.23 -1.17 -1.86 115.26 111.57 2ww0 n ASN 216 Ca -0.05 -0.95 0.00 0.00 -0.53 0.00 0.00 54.58 53.04 2ww0 n ASN 216 Cb 0.43 -3.64 0.00 0.00 -2.08 0.00 0.00 39.78 34.48 2ww0 n ASN 216 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ww0 n GLY 217 N -1.65 2.94 3.71 4.83 0.00 -1.26 -4.98 105.19 108.78 2ww0 n GLY 217 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2ww0 n GLY 217 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ww0 s ASN 218 N -2.30 7.19 -0.14 1.61 0.01 -0.78 -4.97 114.94 115.56 2ww0 s ASN 218 Ca 0.00 1.44 -0.24 0.00 -0.71 0.00 0.00 52.86 53.35 2ww0 s ASN 218 Cb 0.00 -2.50 -0.02 0.00 0.41 0.00 0.00 41.25 39.14 2ww0 s ASN 218 CO 0.00 -0.20 0.76 -0.22 -1.51 0.00 0.00 177.10 175.93 2ww0 s LEU 219 N 0.94 4.21 -0.32 0.60 2.96 -1.26 -0.89 118.68 124.92 2ww0 s LEU 219 Ca 0.45 1.12 0.02 0.00 -0.22 0.00 0.00 54.13 55.50 2ww0 s LEU 219 Cb -0.19 -3.13 0.10 0.00 0.50 0.00 0.00 46.19 43.46 2ww0 s LEU 219 CO 0.23 -0.29 0.06 -1.10 -1.32 0.00 0.00 176.35 173.93 2ww0 s GLN 220 N 1.68 1.18 0.27 1.98 -0.21 -0.05 -5.00 119.66 119.51 2ww0 s GLN 220 Ca 0.36 -1.48 -0.30 0.00 0.02 0.00 0.00 55.36 53.97 2ww0 s GLN 220 Cb -0.17 -2.66 -0.11 0.00 1.00 0.00 0.00 33.01 31.08 2ww0 s GLN 220 CO 0.14 -0.93 1.53 -2.00 -2.12 0.00 0.00 175.29 171.91 2ww0 s GLU 221 N 1.23 4.19 0.00 2.91 2.12 -1.26 -2.44 118.70 125.45 2ww0 s GLU 221 Ca 0.09 2.45 0.00 0.00 0.36 0.00 0.00 54.97 57.87 2ww0 s GLU 221 Cb -0.18 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.14 2ww0 s GLU 221 CO -0.15 -0.54 0.00 0.09 -0.54 0.00 0.00 175.26 174.12 2ww0 n ASN 222 N 2.34 -4.88 -4.64 -1.70 3.02 -0.45 -4.94 115.26 104.01 2ww0 n ASN 222 Ca 0.08 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.22 2ww0 n ASN 222 Cb 0.39 -2.49 -0.06 0.00 -0.61 0.00 0.00 39.78 37.00 2ww0 n ASN 222 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ww0 s VAL 223 N -1.35 4.99 -0.33 2.41 1.01 -1.13 -4.97 120.40 121.04 2ww0 s VAL 223 Ca 0.00 1.16 0.26 0.00 0.00 0.00 0.00 61.98 63.39 2ww0 s VAL 223 Cb 0.00 -3.94 0.35 0.00 0.00 0.00 0.00 36.38 32.79 2ww0 s VAL 223 CO 0.00 0.05 1.71 0.00 0.00 0.00 0.00 175.10 176.86 2ww0 h ALA 224 N 7.76 1.00 -2.59 5.51 0.00 -1.90 -3.24 119.26 125.81 2ww0 h ALA 224 Ca -0.28 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 2ww0 h ALA 224 Cb 1.13 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.68 2ww0 h ALA 224 CO 0.78 0.00 -0.17 -2.00 0.00 0.00 0.00 179.25 177.86 2ww0 s GLU 225 N -3.31 0.54 -0.03 0.00 2.12 -1.26 -0.47 118.70 116.30 2ww0 s GLU 225 Ca 0.06 0.67 0.00 0.00 0.36 0.00 0.00 54.97 56.06 2ww0 s GLU 225 Cb 0.06 0.25 0.03 0.00 0.26 0.00 0.00 34.13 34.73 2ww0 s GLU 225 CO 0.63 -0.07 0.01 -0.65 -0.54 0.00 0.00 175.26 174.64 2ww0 s GLN 226 N 0.35 0.19 -0.29 4.30 -1.52 -0.35 -5.01 119.66 117.32 2ww0 s GLN 226 Ca -0.01 0.12 0.02 0.00 -1.95 0.00 0.00 55.36 53.54 2ww0 s GLN 226 Cb -0.04 -0.42 0.07 0.00 -0.22 0.00 0.00 33.01 32.40 2ww0 s GLN 226 CO -0.01 -0.16 -0.04 0.99 -0.25 0.00 0.00 175.29 175.83 2ww0 s THR 227 N 1.10 2.40 0.25 -0.19 2.01 -1.26 -1.44 115.64 118.50 2ww0 s THR 227 Ca -0.09 -1.76 -0.22 0.00 0.31 0.00 0.00 61.69 59.93 2ww0 s THR 227 Cb -0.13 -2.49 0.04 0.00 0.01 0.00 0.00 72.50 69.93 2ww0 s THR 227 CO -0.02 -0.20 0.83 0.28 -0.69 0.00 0.00 174.62 174.83 2ww0 s THR 228 N 1.09 0.00 0.18 -0.82 -1.32 -1.02 -5.03 115.64 108.72 2ww0 s THR 228 Ca -0.03 -0.86 -0.17 0.00 -1.21 0.00 0.00 61.69 59.42 2ww0 s THR 228 Cb -0.20 -2.18 0.13 0.00 -1.51 0.00 0.00 72.50 68.74 2ww0 s THR 228 CO -0.05 0.00 1.65 -0.78 -2.21 0.00 0.00 174.62 173.23 2ww0 h ASP 229 N 2.00 -0.50 -3.18 8.08 3.58 -1.93 0.23 116.42 124.70 2ww0 h ASP 229 Ca -0.23 0.15 -0.59 0.00 0.42 0.00 0.00 57.03 56.77 2ww0 h ASP 229 Cb 1.24 0.31 -0.40 0.00 1.72 0.00 0.00 39.33 42.20 2ww0 h ASP 229 CO 0.27 -0.17 -0.77 -2.28 -2.88 0.00 0.00 179.24 173.41 2ww0 s HIS 230 N -6.20 1.54 0.39 0.28 2.46 -1.26 -0.03 115.29 112.47 2ww0 s HIS 230 Ca -0.14 -2.03 -0.12 0.00 0.47 0.00 0.00 55.06 53.24 2ww0 s HIS 230 Cb 0.16 -1.57 -0.07 0.00 -0.13 0.00 0.00 32.58 30.97 2ww0 s HIS 230 CO 0.71 -0.81 0.77 0.00 -2.47 0.00 0.00 174.74 172.94 2ww0 s ALA 231 N 0.84 3.32 0.25 1.58 0.00 -1.25 -3.06 121.76 123.45 2ww0 s ALA 231 Ca 0.16 -0.11 -0.21 0.00 0.00 0.00 0.00 51.96 51.80 2ww0 s ALA 231 Cb -0.22 -2.75 0.03 0.00 0.00 0.00 0.00 23.12 20.18 2ww0 s ALA 231 CO -0.05 0.08 0.69 0.20 0.00 0.00 0.00 175.76 176.67 2ww0 s GLY 232 N -2.89 -0.20 0.01 0.00 0.00 -0.98 -1.83 107.32 101.43 2ww0 s GLY 232 Ca 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 44.72 45.09 2ww0 s GLY 232 CO 0.27 -0.05 0.01 0.00 0.00 0.00 0.00 173.10 173.34 2ww0 s ALA 233 N -3.88 0.01 -0.07 3.20 0.00 -0.07 0.11 121.76 121.05 2ww0 s ALA 233 Ca 0.09 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.66 2ww0 s ALA 233 Cb -0.05 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.20 2ww0 s ALA 233 CO 0.02 -0.15 -0.08 0.42 0.00 0.00 0.00 175.76 175.98 2ww0 s ILE 234 N -1.21 0.87 0.22 0.00 1.01 0.15 0.09 121.20 122.33 2ww0 s ILE 234 Ca -0.13 -0.27 0.11 0.00 0.00 0.00 0.00 60.65 60.36 2ww0 s ILE 234 Cb -0.08 -0.86 -0.05 0.00 0.01 0.00 0.00 42.46 41.48 2ww0 s ILE 234 CO -0.00 0.31 -0.22 0.27 0.00 0.00 0.00 174.94 175.30 2ww0 s ILE 235 N 1.15 2.32 0.32 2.92 -5.25 -0.80 -1.13 121.20 120.73 2ww0 s ILE 235 Ca -0.06 -2.17 -0.08 0.00 -0.99 0.00 0.00 60.65 57.35 2ww0 s ILE 235 Cb -0.14 -2.16 0.01 0.00 2.95 0.00 0.00 42.46 43.12 2ww0 s ILE 235 CO -0.01 -0.26 0.53 -0.83 -1.79 0.00 0.00 174.94 172.57 2ww0 s GLY 236 N -3.01 0.98 -0.00 6.27 0.00 -0.46 -0.52 107.32 110.58 2ww0 s GLY 236 Ca 0.24 -1.17 -0.30 0.00 0.00 0.00 0.00 44.72 43.49 2ww0 s GLY 236 CO 0.11 -0.76 1.27 -0.11 0.00 0.00 0.00 173.10 173.61 2ww0 s PHE 237 N -3.24 -0.03 0.22 1.90 -0.00 -0.49 -0.36 117.98 115.97 2ww0 s PHE 237 Ca 0.25 -0.09 -0.20 0.00 -0.00 0.00 0.00 56.93 56.90 2ww0 s PHE 237 Cb -0.01 0.56 -0.08 0.00 -0.00 0.00 0.00 43.02 43.48 2ww0 s PHE 237 CO 0.15 -0.32 0.73 0.15 -0.00 0.00 0.00 175.22 175.93 2ww0 s LYS 238 N -2.40 4.27 0.01 1.99 1.02 -1.26 -1.92 119.74 121.45 2ww0 s LYS 238 Ca 0.16 0.88 0.04 0.00 0.02 0.00 0.00 55.97 57.08 2ww0 s LYS 238 Cb 0.04 -2.90 -0.01 0.00 -0.52 0.00 0.00 37.83 34.43 2ww0 s LYS 238 CO -0.03 0.40 -0.12 0.95 -0.92 0.00 0.00 175.35 175.63 2ww0 s THR 239 N -1.50 0.98 0.42 2.17 -4.23 0.13 -4.97 115.64 108.64 2ww0 s THR 239 Ca 0.43 -0.69 -0.12 0.00 -1.18 0.00 0.00 61.69 60.12 2ww0 s THR 239 Cb -0.17 -0.85 -0.07 0.00 1.34 0.00 0.00 72.50 72.75 2ww0 s THR 239 CO 0.21 0.15 0.81 -0.13 -0.54 0.00 0.00 174.62 175.13 2ww0 s ARG 240 N -0.61 3.83 0.07 3.99 0.52 -1.26 -1.71 118.95 123.77 2ww0 s ARG 240 Ca 0.03 0.58 -0.36 0.00 -0.52 0.00 0.00 55.73 55.47 2ww0 s ARG 240 Cb -0.06 -2.34 -0.15 0.00 0.52 0.00 0.00 34.95 32.92 2ww0 s ARG 240 CO 0.00 -0.07 1.50 1.17 0.02 0.00 0.00 175.30 177.92 2ww0 n LYS 241 N -1.29 1.59 -0.97 3.54 4.81 -1.26 -0.97 118.16 123.62 2ww0 n LYS 241 Ca 0.03 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 2ww0 n LYS 241 Cb 0.54 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.30 2ww0 n LYS 241 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ww0 n GLY 242 N 3.13 0.74 3.76 3.14 0.00 0.19 -4.84 105.19 111.31 2ww0 n GLY 242 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2ww0 n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ww0 s GLU 243 N -0.14 4.20 -0.15 1.61 2.12 -0.14 -4.66 118.70 121.55 2ww0 s GLU 243 Ca 0.00 2.43 -0.05 0.00 0.36 0.00 0.00 54.97 57.71 2ww0 s GLU 243 Cb 0.00 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.31 2ww0 s GLU 243 CO 0.00 -0.48 0.03 -0.65 -0.54 0.00 0.00 175.26 173.62 2ww0 s GLN 244 N -1.00 3.61 -0.10 4.30 -0.21 -1.26 -0.93 119.66 124.07 2ww0 s GLN 244 Ca 0.58 -0.39 0.03 0.00 0.02 0.00 0.00 55.36 55.60 2ww0 s GLN 244 Cb -0.44 -3.03 -0.01 0.00 1.00 0.00 0.00 33.01 30.53 2ww0 s GLN 244 CO 0.51 0.41 -0.20 0.08 -2.12 0.00 0.00 175.29 173.97 2ww0 s VAL 245 N -0.06 2.44 -0.04 1.09 1.01 -0.28 -4.96 120.40 119.61 2ww0 s VAL 245 Ca 0.05 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 2ww0 s VAL 245 Cb -0.12 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 2ww0 s VAL 245 CO 0.02 0.55 0.05 0.20 0.00 0.00 0.00 175.10 175.92 2ww0 s ASN 246 N 0.24 5.54 -0.13 3.32 0.01 -1.26 -0.54 114.94 122.13 2ww0 s ASN 246 Ca -0.13 0.16 0.00 0.00 -0.71 0.00 0.00 52.86 52.18 2ww0 s ASN 246 Cb -0.17 -1.59 0.02 0.00 0.41 0.00 0.00 41.25 39.93 2ww0 s ASN 246 CO 0.07 0.32 -0.12 0.00 -1.51 0.00 0.00 177.10 175.86 2ww0 s ALA 247 N -1.06 1.66 -0.13 0.60 0.00 -0.25 -2.19 121.76 120.39 2ww0 s ALA 247 Ca 0.18 -0.76 -0.19 0.00 0.00 0.00 0.00 51.96 51.20 2ww0 s ALA 247 Cb -0.12 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 2ww0 s ALA 247 CO 0.09 -0.34 0.52 1.03 0.00 0.00 0.00 175.76 177.05 2ww0 s ARG 248 N 1.47 4.32 0.05 0.00 0.52 0.05 -1.18 118.95 124.19 2ww0 s ARG 248 Ca 0.03 0.50 0.04 0.00 -0.52 0.00 0.00 55.73 55.78 2ww0 s ARG 248 Cb -0.13 -3.46 -0.02 0.00 0.52 0.00 0.00 34.95 31.85 2ww0 s ARG 248 CO -0.08 0.08 -0.11 0.42 0.02 0.00 0.00 175.30 175.63 2ww0 s ILE 249 N 0.87 0.82 0.18 1.52 1.01 -0.34 -0.66 121.20 124.58 2ww0 s ILE 249 Ca 0.27 -1.11 -0.21 0.00 0.00 0.00 0.00 60.65 59.60 2ww0 s ILE 249 Cb -0.15 -0.82 0.05 0.00 0.01 0.00 0.00 42.46 41.55 2ww0 s ILE 249 CO 0.11 -0.25 0.59 0.00 0.00 0.00 0.00 174.94 175.39 2ww0 s ALA 250 N -1.20 -1.39 0.14 9.38 0.00 -0.90 -0.97 121.76 126.81 2ww0 s ALA 250 Ca -0.05 0.23 -0.09 0.00 0.00 0.00 0.00 51.96 52.05 2ww0 s ALA 250 Cb -0.09 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 2ww0 s ALA 250 CO 0.01 -0.80 0.25 -1.54 0.00 0.00 0.00 175.76 173.69 2ww0 s SER 251 N -2.79 0.06 0.07 0.00 1.04 -1.22 -1.59 113.70 109.27 2ww0 s SER 251 Ca 0.04 -0.79 -0.01 0.00 0.48 0.00 0.00 55.95 55.67 2ww0 s SER 251 Cb -0.01 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 2ww0 s SER 251 CO -0.09 -0.84 -0.02 -0.55 0.98 0.00 0.00 173.24 172.72 2ww0 s SER 252 N -2.93 0.53 0.00 7.02 0.15 0.47 -4.71 113.70 114.22 2ww0 s SER 252 Ca 0.13 -1.03 0.22 0.00 0.70 0.00 0.00 55.95 55.97 2ww0 s SER 252 Cb 0.04 0.20 0.51 0.00 -1.71 0.00 0.00 66.02 65.06 2ww0 s SER 252 CO -0.04 -0.61 1.45 0.49 1.20 0.00 0.00 173.24 175.73 2ww0 n PHE 253 N 0.06 0.61 -0.03 3.44 3.01 -1.26 -0.48 117.46 122.80 2ww0 n PHE 253 Ca -0.13 -0.30 -0.08 0.00 1.01 0.00 0.00 57.45 57.95 2ww0 n PHE 253 Cb 0.61 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.06 2ww0 n PHE 253 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2ww0 n ILE 254 N 1.39 1.13 -3.67 4.37 5.41 -1.26 -4.74 119.36 121.98 2ww0 n ILE 254 Ca 0.20 0.11 -0.04 0.00 1.00 0.00 0.00 62.75 64.03 2ww0 n ILE 254 Cb 0.57 -1.85 -0.01 0.00 -0.71 0.00 0.00 39.64 37.64 2ww0 n ILE 254 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2ww0 s SER 255 N -6.04 -0.20 0.20 4.38 1.04 -1.26 -4.99 113.70 106.83 2ww0 s SER 255 Ca -0.15 -0.26 -0.10 0.00 0.48 0.00 0.00 55.95 55.91 2ww0 s SER 255 Cb 0.04 0.41 0.15 0.00 0.10 0.00 0.00 66.02 66.72 2ww0 s SER 255 CO 0.21 -0.74 1.84 -0.26 0.98 0.00 0.00 173.24 175.27 2ww0 h PHE 256 N 2.00 1.00 -0.51 5.02 0.04 -1.94 -0.37 116.94 122.18 2ww0 h PHE 256 Ca -0.24 -0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.61 2ww0 h PHE 256 Cb 1.23 -0.32 -0.07 0.00 2.20 0.00 0.00 35.95 38.98 2ww0 h PHE 256 CO 0.34 0.68 0.09 0.93 -0.60 0.00 0.00 178.31 179.76 2ww0 h GLU 257 N 1.02 0.22 -0.33 1.51 5.08 -1.99 -0.18 114.58 119.90 2ww0 h GLU 257 Ca 0.27 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.49 2ww0 h GLU 257 Cb -0.01 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2ww0 h GLU 257 CO -0.05 0.14 -0.30 0.37 -1.00 0.00 0.00 179.01 178.17 2ww0 h GLN 258 N 0.22 0.70 -0.87 2.33 5.75 -1.87 -2.04 115.11 119.34 2ww0 h GLN 258 Ca 0.26 -0.32 0.04 0.00 -0.15 0.00 0.00 58.65 58.48 2ww0 h GLN 258 Cb 0.35 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.83 2ww0 h GLN 258 CO -0.34 0.92 0.56 0.00 -2.65 0.00 0.00 178.83 177.32 2ww0 h ALA 259 N 1.06 1.16 -0.20 3.38 0.00 -0.27 -0.09 119.26 124.31 2ww0 h ALA 259 Ca 0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2ww0 h ALA 259 Cb 0.81 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2ww0 h ALA 259 CO 0.07 0.40 -0.33 0.00 0.00 0.00 0.00 179.25 179.39 2ww0 h ALA 260 N 1.37 1.07 -0.32 0.00 0.00 -0.60 -1.32 119.26 119.45 2ww0 h ALA 260 Ca 0.35 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2ww0 h ALA 260 Cb 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2ww0 h ALA 260 CO -0.12 0.58 -0.02 0.00 0.00 0.00 0.00 179.25 179.68 2ww0 h ALA 261 N 1.30 0.43 -0.55 0.00 0.00 -0.85 -2.89 119.26 116.70 2ww0 h ALA 261 Ca 0.04 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.77 2ww0 h ALA 261 Cb 0.75 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2ww0 h ALA 261 CO 0.06 0.21 0.37 -0.91 0.00 0.00 0.00 179.25 178.98 2ww0 h ASN 262 N 0.37 0.39 -0.20 0.00 4.21 -0.51 -1.37 115.58 118.48 2ww0 h ASN 262 Ca 0.09 0.00 0.06 0.00 1.21 0.00 0.00 56.30 57.66 2ww0 h ASN 262 Cb 0.48 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.59 2ww0 h ASN 262 CO 0.02 0.25 0.31 -0.03 -1.29 0.00 0.00 177.43 176.69 2ww0 h MET 263 N 0.44 0.00 0.00 0.81 4.05 -1.03 -1.43 114.93 117.77 2ww0 h MET 263 Ca 0.25 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.67 2ww0 h MET 263 Cb 0.40 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.20 2ww0 h MET 263 CO -0.07 0.00 0.00 0.09 0.23 0.00 0.00 176.91 177.16 2ww0 n ASN 264 N -3.48 0.48 0.22 1.39 5.03 -0.51 -2.06 115.26 116.32 2ww0 n ASN 264 Ca 0.02 0.60 0.15 0.00 0.87 0.00 0.00 54.58 56.22 2ww0 n ASN 264 Cb 0.42 -0.71 0.78 0.00 -1.02 0.00 0.00 39.78 39.26 2ww0 n ASN 264 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 2ww0 h GLU 265 N 0.00 0.00 0.00 3.52 5.08 -1.45 -0.17 114.58 121.56 2ww0 h GLU 265 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2ww0 h GLU 265 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2ww0 h GLU 265 CO 0.00 0.00 -0.34 -0.07 -1.00 0.00 0.00 179.01 177.60 2ww0 h LEU 266 N 0.00 0.00 0.00 1.33 3.38 -1.64 -3.49 115.31 114.89 2ww0 h LEU 266 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2ww0 h LEU 266 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2ww0 h LEU 266 CO -0.00 0.34 0.00 0.61 0.09 0.00 0.00 178.44 179.48 2ww0 n GLY 267 N 0.78 3.19 0.74 0.83 0.00 -0.08 -2.01 105.19 108.63 2ww0 n GLY 267 Ca 0.01 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 45.93 2ww0 n GLY 267 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ww0 n LYS 268 N 14.00 2.47 -2.22 1.61 4.76 -1.26 -4.98 118.16 132.54 2ww0 n LYS 268 Ca 0.00 -2.82 -0.34 0.00 -2.87 0.00 0.00 58.31 52.28 2ww0 n LYS 268 Cb 0.00 -1.77 0.00 0.00 -1.84 0.00 0.00 35.03 31.42 2ww0 n LYS 268 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2ww0 s ASP 269 N -2.20 5.80 0.64 4.39 1.01 -0.85 -5.07 116.67 120.39 2ww0 s ASP 269 Ca 0.40 2.02 0.05 0.00 0.71 0.00 0.00 52.55 55.73 2ww0 s ASP 269 Cb 0.34 -2.56 0.11 0.00 1.01 0.00 0.00 42.92 41.82 2ww0 s ASP 269 CO 0.07 -1.16 0.86 -0.46 0.21 0.00 0.00 175.17 174.69 2ww0 n ASN 270 N -1.51 1.70 -0.15 0.27 0.23 -1.26 -4.90 115.26 109.65 2ww0 n ASN 270 Ca 0.10 -2.31 -0.03 0.00 -0.53 0.00 0.00 54.58 51.81 2ww0 n ASN 270 Cb 0.52 -0.51 0.05 0.00 -2.08 0.00 0.00 39.78 37.77 2ww0 n ASN 270 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2ww0 h ILE 271 N -0.22 0.76 -0.11 1.53 1.08 -1.97 -1.23 117.51 117.36 2ww0 h ILE 271 Ca -0.29 -0.08 0.02 0.00 -0.39 0.00 0.00 64.86 64.12 2ww0 h ILE 271 Cb 1.19 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 35.42 2ww0 h ILE 271 CO 0.36 0.04 -0.00 -0.33 -0.69 0.00 0.00 178.15 177.53 2ww0 h GLU 272 N 0.24 0.04 -0.60 2.37 3.07 -1.99 0.06 114.58 117.78 2ww0 h GLU 272 Ca 0.23 -0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.01 2ww0 h GLU 272 Cb 0.29 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 2ww0 h GLU 272 CO -0.29 0.02 0.06 1.96 -1.40 0.00 0.00 179.01 179.36 2ww0 h GLN 273 N 0.04 1.01 -0.24 2.33 4.20 -1.87 -0.37 115.11 120.21 2ww0 h GLN 273 Ca 0.05 -0.29 -0.05 0.00 0.06 0.00 0.00 58.65 58.42 2ww0 h GLN 273 Cb 0.06 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2ww0 h GLN 273 CO -0.08 0.97 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.94 2ww0 h LEU 274 N 0.91 0.45 -0.56 1.46 3.38 -1.08 -1.35 115.31 118.51 2ww0 h LEU 274 Ca 0.18 -0.35 0.11 0.00 0.09 0.00 0.00 57.88 57.91 2ww0 h LEU 274 Cb 0.48 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.01 2ww0 h LEU 274 CO 0.02 0.69 0.01 0.00 0.09 0.00 0.00 178.44 179.24 2ww0 h ALA 275 N 0.77 0.55 -0.94 1.53 0.00 -0.89 0.70 119.26 120.98 2ww0 h ALA 275 Ca 0.06 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2ww0 h ALA 275 Cb 0.48 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 2ww0 h ALA 275 CO 0.02 -0.38 0.62 0.37 0.00 0.00 0.00 179.25 179.88 2ww0 h GLN 276 N 0.12 1.24 -0.48 0.00 5.75 -0.80 0.12 115.11 121.07 2ww0 h GLN 276 Ca 0.29 -0.07 -0.13 0.00 -0.15 0.00 0.00 58.65 58.58 2ww0 h GLN 276 Cb 0.45 -0.28 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 2ww0 h GLN 276 CO -0.47 0.82 -0.22 0.87 -2.65 0.00 0.00 178.83 177.18 2ww0 h LYS 277 N 1.27 0.98 -0.31 1.69 1.57 -0.20 -0.72 116.57 120.85 2ww0 h LYS 277 Ca 0.35 -0.41 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2ww0 h LYS 277 Cb -0.15 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 2ww0 h LYS 277 CO -0.08 1.09 0.06 0.78 -0.57 0.00 0.00 179.45 180.73 2ww0 h GLY 278 N 0.89 0.55 0.57 3.86 0.00 -0.52 0.05 103.07 108.47 2ww0 h GLY 278 Ca 0.11 -0.36 0.04 0.00 0.00 0.00 0.00 47.33 47.12 2ww0 h GLY 278 CO 0.07 0.33 -0.07 1.70 0.00 0.00 0.00 176.54 178.56 2ww0 h LYS 279 N 0.34 -0.05 -0.70 4.80 3.64 -0.63 0.14 116.57 124.12 2ww0 h LYS 279 Ca 0.10 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.57 2ww0 h LYS 279 Cb 0.32 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.09 2ww0 h LYS 279 CO 0.00 -0.03 0.35 -0.44 -2.27 0.00 0.00 179.45 177.06 2ww0 h ASP 280 N -0.05 0.47 -0.53 4.20 3.32 -1.01 0.12 116.42 122.93 2ww0 h ASP 280 Ca 0.09 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 2ww0 h ASP 280 Cb 0.19 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 2ww0 h ASP 280 CO -0.21 0.28 0.32 0.00 -1.72 0.00 0.00 179.24 177.90 2ww0 h ALA 281 N 1.41 0.68 -0.15 3.45 0.00 -0.02 -0.91 119.26 123.71 2ww0 h ALA 281 Ca 0.34 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 2ww0 h ALA 281 Cb 0.33 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2ww0 h ALA 281 CO -0.25 0.17 -0.29 -1.49 0.00 0.00 0.00 179.25 177.39 2ww0 h TRP 282 N 0.71 0.58 0.00 0.00 4.06 -0.51 -3.09 115.95 117.71 2ww0 h TRP 282 Ca 0.19 -0.21 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 2ww0 h TRP 282 Cb -0.01 -0.11 -0.00 0.00 -1.00 0.00 0.00 29.16 28.04 2ww0 h TRP 282 CO -0.02 0.91 -0.03 -0.91 -3.56 0.00 0.00 178.44 174.83 2ww0 h ASN 283 N 0.08 0.00 -0.50 -3.49 -0.26 -0.61 0.22 115.58 111.03 2ww0 h ASN 283 Ca 0.01 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.71 2ww0 h ASN 283 Cb 0.88 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.11 2ww0 h ASN 283 CO 0.06 0.03 0.18 -0.61 -1.06 0.00 0.00 177.43 176.03 2ww0 h GLN 284 N 0.00 0.81 0.05 0.81 5.75 -1.08 0.20 115.11 121.65 2ww0 h GLN 284 Ca -0.00 -0.14 -0.36 0.00 -0.15 0.00 0.00 58.65 58.00 2ww0 h GLN 284 Cb 0.06 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.43 2ww0 h GLN 284 CO 0.00 0.69 -2.17 1.33 -2.65 0.00 0.00 178.83 176.04 2ww0 n VAL 285 N -4.31 1.61 -0.03 2.39 0.24 -0.55 -4.09 118.33 113.60 2ww0 n VAL 285 Ca 0.04 -0.67 -0.00 0.00 -2.04 0.00 0.00 64.34 61.67 2ww0 n VAL 285 Cb 0.19 -1.36 0.29 0.00 -1.47 0.00 0.00 33.84 31.48 2ww0 n VAL 285 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2ww0 h LEU 286 N 0.03 0.56 0.00 1.34 3.38 -0.63 -2.89 115.31 117.09 2ww0 h LEU 286 Ca -0.47 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2ww0 h LEU 286 Cb 2.01 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.62 2ww0 h LEU 286 CO 0.02 0.58 0.00 0.61 0.09 0.00 0.00 178.44 179.74 2ww0 n GLY 287 N -0.96 -0.90 0.17 0.83 0.00 0.71 -2.25 105.19 102.80 2ww0 n GLY 287 Ca 0.02 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.11 2ww0 n GLY 287 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ww0 h LYS 288 N 0.00 0.00 -3.63 1.61 1.79 -1.67 -3.38 116.57 111.29 2ww0 h LYS 288 Ca 0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 2ww0 h LYS 288 Cb 0.20 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.45 2ww0 h LYS 288 CO 0.00 0.00 -0.76 0.42 -1.08 0.00 0.00 179.45 178.03 2ww0 s ILE 289 N -3.46 0.92 -0.15 1.86 1.01 -0.95 -0.91 121.20 119.52 2ww0 s ILE 289 Ca 0.02 -1.35 -0.12 0.00 0.00 0.00 0.00 60.65 59.20 2ww0 s ILE 289 Cb 0.09 -1.65 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 2ww0 s ILE 289 CO 0.39 -0.61 0.24 -1.61 0.00 0.00 0.00 174.94 173.36 2ww0 s GLU 290 N 1.60 4.08 0.07 2.79 2.02 -0.54 -4.94 118.70 123.78 2ww0 s GLU 290 Ca 0.08 0.01 0.09 0.00 0.02 0.00 0.00 54.97 55.18 2ww0 s GLU 290 Cb -0.17 -3.37 -0.03 0.00 0.10 0.00 0.00 34.13 30.66 2ww0 s GLU 290 CO -0.22 0.38 -0.25 0.14 0.02 0.00 0.00 175.26 175.33 2ww0 s VAL 291 N 0.06 2.06 0.17 2.63 -7.23 -1.26 -0.45 120.40 116.38 2ww0 s VAL 291 Ca 0.15 -1.44 -0.03 0.00 -1.81 0.00 0.00 61.98 58.85 2ww0 s VAL 291 Cb -0.13 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 2ww0 s VAL 291 CO 0.03 0.25 0.15 -1.61 -0.31 0.00 0.00 175.10 173.62 2ww0 s GLU 292 N -1.44 1.12 -0.48 4.82 2.02 0.16 -4.95 118.70 119.95 2ww0 s GLU 292 Ca 0.11 -1.47 -0.01 0.00 0.02 0.00 0.00 54.97 53.62 2ww0 s GLU 292 Cb -0.10 0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.42 2ww0 s GLU 292 CO 0.03 -0.37 0.40 0.41 0.02 0.00 0.00 175.26 175.76 2ww0 n GLY 293 N -0.21 0.19 3.30 -1.39 0.00 -1.26 -2.31 105.19 103.52 2ww0 n GLY 293 Ca -0.02 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 2ww0 n GLY 293 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ww0 s GLY 294 N -3.43 2.24 0.49 -0.02 0.00 -1.26 -2.85 107.32 102.49 2ww0 s GLY 294 Ca 0.06 -2.02 0.00 0.00 0.00 0.00 0.00 44.72 42.76 2ww0 s GLY 294 CO 0.28 -1.43 0.72 0.54 0.00 0.00 0.00 173.10 173.21 2ww0 s ASN 295 N -3.36 5.62 0.36 1.64 2.20 -1.26 -4.93 114.94 115.21 2ww0 s ASN 295 Ca 0.40 0.19 0.03 0.00 -0.94 0.00 0.00 52.86 52.54 2ww0 s ASN 295 Cb 0.02 -1.29 0.69 0.00 -2.00 0.00 0.00 41.25 38.67 2ww0 s ASN 295 CO 0.27 -0.88 2.02 0.25 -2.94 0.00 0.00 177.10 175.82 2ww0 h LEU 296 N 0.26 0.66 -0.59 3.54 5.85 -2.02 -1.07 115.31 121.94 2ww0 h LEU 296 Ca -0.45 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.30 2ww0 h LEU 296 Cb 1.27 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.09 2ww0 h LEU 296 CO 0.55 0.49 0.32 0.44 -0.34 0.00 0.00 178.44 179.90 2ww0 h ASP 297 N 0.78 0.48 -0.34 1.25 3.32 -1.99 -1.54 116.42 118.37 2ww0 h ASP 297 Ca 0.21 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.20 2ww0 h ASP 297 Cb -0.08 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2ww0 h ASP 297 CO -0.04 0.32 -0.13 1.56 -1.72 0.00 0.00 179.24 179.22 2ww0 h GLN 298 N 0.61 0.69 -0.28 3.56 4.20 -1.61 0.19 115.11 122.47 2ww0 h GLN 298 Ca 0.26 -0.29 0.05 0.00 0.06 0.00 0.00 58.65 58.73 2ww0 h GLN 298 Cb 0.14 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 2ww0 h GLN 298 CO -0.16 0.88 -0.06 1.88 -0.67 0.00 0.00 178.83 180.71 2ww0 h TYR 299 N 0.47 -0.12 -0.29 2.96 0.05 -1.13 0.17 116.97 119.08 2ww0 h TYR 299 Ca 0.08 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 2ww0 h TYR 299 Cb 0.66 0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.48 2ww0 h TYR 299 CO 0.06 -0.11 0.11 0.00 -1.05 0.00 0.00 178.16 177.17 2ww0 h ARG 300 N 0.01 0.44 -0.69 4.88 3.08 -0.95 0.19 114.38 121.34 2ww0 h ARG 300 Ca 0.13 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.13 2ww0 h ARG 300 Cb 0.20 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 2ww0 h ARG 300 CO -0.28 0.46 0.44 1.15 -1.07 0.00 0.00 179.97 180.67 2ww0 h THR 301 N 0.32 1.12 -0.02 2.04 2.02 -0.32 -0.95 112.91 117.12 2ww0 h THR 301 Ca 0.10 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 2ww0 h THR 301 Cb 0.19 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 66.77 2ww0 h THR 301 CO -0.01 0.16 -0.00 0.15 0.37 0.00 0.00 175.52 176.19 2ww0 h PHE 302 N 0.87 0.03 0.00 3.16 3.57 -0.18 -1.79 116.94 122.60 2ww0 h PHE 302 Ca 0.27 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.62 2ww0 h PHE 302 Cb -0.02 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2ww0 h PHE 302 CO -0.04 0.37 -0.69 1.88 -2.23 0.00 0.00 178.31 177.60 2ww0 h TYR 303 N -0.32 0.00 -0.11 0.41 0.05 -0.95 -1.35 116.97 114.69 2ww0 h TYR 303 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 2ww0 h TYR 303 Cb 0.36 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 2ww0 h TYR 303 CO 0.05 0.69 0.06 0.77 -1.05 0.00 0.00 178.16 178.68 2ww0 h SER 304 N 0.00 0.14 -0.82 3.88 0.02 -1.18 -0.97 113.55 114.62 2ww0 h SER 304 Ca -0.01 -0.08 0.05 0.00 -0.84 0.00 0.00 61.79 60.92 2ww0 h SER 304 Cb 1.28 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 63.72 2ww0 h SER 304 CO 0.09 0.18 0.51 0.00 -1.14 0.00 0.00 176.83 176.47 2ww0 h LEU 306 N 0.95 0.90 -0.75 0.00 5.85 -1.02 -2.08 115.31 119.15 2ww0 h LEU 306 Ca 0.35 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 2ww0 h LEU 306 Cb 0.13 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2ww0 h LEU 306 CO -0.16 0.84 0.47 0.22 -0.34 0.00 0.00 178.44 179.47 2ww0 h TYR 307 N 0.91 0.98 0.00 1.25 3.20 -0.74 -0.58 116.97 121.99 2ww0 h TYR 307 Ca 0.21 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2ww0 h TYR 307 Cb 0.24 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.18 2ww0 h TYR 307 CO 0.02 0.65 0.00 0.54 -1.64 0.00 0.00 178.16 177.72 2ww0 n ARG 308 N -4.52 0.05 -0.00 1.82 5.12 -0.47 -2.15 116.66 116.51 2ww0 n ARG 308 Ca 0.07 0.31 0.13 0.00 -1.93 0.00 0.00 57.85 56.43 2ww0 n ARG 308 Cb 0.04 -1.60 0.29 0.00 -1.16 0.00 0.00 32.46 30.03 2ww0 n ARG 308 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2ww0 n SER 309 N -1.70 2.35 -0.50 0.55 7.64 -0.23 -3.62 113.62 118.10 2ww0 n SER 309 Ca 0.03 -1.78 0.07 0.00 1.01 0.00 0.00 58.87 58.20 2ww0 n SER 309 Cb 0.17 -0.01 0.16 0.00 -1.01 0.00 0.00 64.21 63.53 2ww0 n SER 309 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2ww0 n LEU 310 N 0.83 2.34 -0.10 -3.43 4.77 -0.91 -4.73 117.00 115.77 2ww0 n LEU 310 Ca 0.16 -3.37 -0.21 0.00 -0.03 0.00 0.00 56.01 52.57 2ww0 n LEU 310 Cb 0.49 -0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 2ww0 n LEU 310 CO 0.16 1.06 -1.17 0.18 -1.33 0.00 0.00 177.39 176.29 2ww0 n LEU 311 N -1.04 1.49 -4.94 2.23 4.77 -1.25 -0.96 117.00 117.29 2ww0 n LEU 311 Ca 0.16 0.22 -0.22 0.00 -0.03 0.00 0.00 56.01 56.14 2ww0 n LEU 311 Cb 0.71 -0.58 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 2ww0 n LEU 311 CO -0.02 0.44 0.13 -0.36 -1.33 0.00 0.00 177.39 176.24 2ww0 s PHE 312 N -2.36 1.98 0.14 -1.77 0.40 -1.26 -3.73 117.98 111.38 2ww0 s PHE 312 Ca -0.27 -0.67 -0.14 0.00 -0.60 0.00 0.00 56.93 55.24 2ww0 s PHE 312 Cb 0.10 -2.11 -0.09 0.00 0.51 0.00 0.00 43.02 41.43 2ww0 s PHE 312 CO 0.35 -0.56 0.21 -0.35 0.70 0.00 0.00 175.22 175.58 2ww0 n PRO 313 N -1.84 0.00 -2.37 0.24 -0.04 -1.26 -5.00 135.00 124.73 2ww0 n PRO 313 Ca 0.06 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.23 2ww0 n PRO 313 Cb 0.62 -0.55 0.00 0.00 -0.04 0.00 0.00 33.50 33.53 2ww0 n PRO 313 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2ww0 s ARG 314 N -0.55 3.58 0.16 0.54 1.70 -0.18 -4.75 118.95 119.46 2ww0 s ARG 314 Ca 0.34 0.43 -0.30 0.00 -0.47 0.00 0.00 55.73 55.73 2ww0 s ARG 314 Cb -0.46 -2.26 -0.08 0.00 -0.57 0.00 0.00 34.95 31.57 2ww0 s ARG 314 CO 0.32 -0.33 1.26 0.15 -1.08 0.00 0.00 175.30 175.62 2ww0 s LYS 315 N -4.84 4.42 -0.16 3.89 1.02 -0.20 -1.73 119.74 122.15 2ww0 s LYS 315 Ca 0.51 1.95 0.15 0.00 0.02 0.00 0.00 55.97 58.59 2ww0 s LYS 315 Cb -0.11 -3.24 0.34 0.00 -0.52 0.00 0.00 37.83 34.31 2ww0 s LYS 315 CO 0.47 -0.21 1.18 0.34 -0.92 0.00 0.00 175.35 176.21 2ww0 n PHE 316 N 2.92 0.00 -4.43 3.18 7.35 0.10 -3.97 117.46 122.61 2ww0 n PHE 316 Ca 0.06 -1.17 -0.24 0.00 -0.76 0.00 0.00 57.45 55.34 2ww0 n PHE 316 Cb 0.44 -0.19 -0.09 0.00 0.35 0.00 0.00 39.48 39.98 2ww0 n PHE 316 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 2ww0 s TYR 317 N -2.82 2.39 0.09 -5.13 -0.85 -1.19 -4.43 117.35 105.41 2ww0 s TYR 317 Ca 0.34 -0.31 0.05 0.00 -0.52 0.00 0.00 57.07 56.62 2ww0 s TYR 317 Cb 0.32 -1.05 -0.03 0.00 0.38 0.00 0.00 41.96 41.57 2ww0 s TYR 317 CO -0.03 0.69 -0.12 -1.21 -1.52 0.00 0.00 175.55 173.36 2ww0 s GLU 318 N -3.55 0.85 -0.00 -3.49 2.02 0.13 -4.93 118.70 109.73 2ww0 s GLU 318 Ca 0.30 -1.08 -0.23 0.00 0.02 0.00 0.00 54.97 53.98 2ww0 s GLU 318 Cb -0.05 -0.69 -0.05 0.00 0.10 0.00 0.00 34.13 33.44 2ww0 s GLU 318 CO 0.16 0.13 0.70 -0.51 0.02 0.00 0.00 175.26 175.76 2ww0 s LEU 319 N -2.16 4.40 0.00 1.80 1.02 -1.26 -0.69 118.68 121.79 2ww0 s LEU 319 Ca 0.03 1.29 -0.01 0.00 0.02 0.00 0.00 54.13 55.46 2ww0 s LEU 319 Cb -0.06 -3.10 0.02 0.00 0.02 0.00 0.00 46.19 43.07 2ww0 s LEU 319 CO 0.01 0.01 0.14 -0.90 0.02 0.00 0.00 176.35 175.63 2ww0 n ASP 320 N 3.05 0.13 -0.07 2.29 5.68 0.24 -4.86 116.55 123.01 2ww0 n ASP 320 Ca -0.03 -1.13 0.12 0.00 -0.50 0.00 0.00 54.79 53.25 2ww0 n ASP 320 Cb 0.51 -0.10 0.51 0.00 -1.14 0.00 0.00 41.12 40.90 2ww0 n ASP 320 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ww0 h ALA 321 N -0.86 2.04 -0.49 2.12 0.00 -1.98 0.20 119.26 120.29 2ww0 h ALA 321 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ww0 h ALA 321 Cb 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2ww0 h ALA 321 CO 0.04 -0.17 0.00 0.09 0.00 0.00 0.00 179.25 179.21 2ww0 n ASN 322 N -4.47 3.62 -0.63 0.00 3.02 -1.26 -4.89 115.26 110.65 2ww0 n ASN 322 Ca 0.10 -2.30 -0.08 0.00 -0.03 0.00 0.00 54.58 52.26 2ww0 n ASN 322 Cb 0.38 -0.49 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 2ww0 n ASN 322 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ww0 n GLY 323 N 0.97 0.94 3.80 7.41 0.00 0.72 -5.00 105.19 114.03 2ww0 n GLY 323 Ca 0.19 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 2ww0 n GLY 323 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ww0 s GLN 324 N -2.41 4.30 0.22 1.61 -1.52 -1.26 -4.70 119.66 115.90 2ww0 s GLN 324 Ca 0.00 0.87 -0.30 0.00 -1.95 0.00 0.00 55.36 53.98 2ww0 s GLN 324 Cb 0.00 -3.16 -0.09 0.00 -0.22 0.00 0.00 33.01 29.54 2ww0 s GLN 324 CO 0.00 0.57 1.31 -1.25 -0.25 0.00 0.00 175.29 175.67 2ww0 s PRO 325 N -1.33 4.38 0.15 2.91 0.04 -1.26 -0.59 135.00 139.31 2ww0 s PRO 325 Ca 0.34 2.08 -0.02 0.00 0.04 0.00 0.00 61.00 63.44 2ww0 s PRO 325 Cb -0.20 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 2ww0 s PRO 325 CO 0.21 -0.24 0.10 0.96 0.04 0.00 0.00 177.00 178.08 2ww0 s ILE 326 N -0.05 0.07 -0.01 0.56 -4.36 0.13 -1.05 121.20 116.49 2ww0 s ILE 326 Ca 0.56 -1.88 -0.20 0.00 -0.26 0.00 0.00 60.65 58.87 2ww0 s ILE 326 Cb -0.37 -2.14 0.04 0.00 1.25 0.00 0.00 42.46 41.23 2ww0 s ILE 326 CO 0.40 -0.32 0.44 -1.38 0.24 0.00 0.00 174.94 174.32 2ww0 s HIS 327 N -4.07 -0.34 0.04 1.37 -3.43 0.91 0.20 115.29 109.97 2ww0 s HIS 327 Ca 0.27 0.51 -0.30 0.00 -0.80 0.00 0.00 55.06 54.74 2ww0 s HIS 327 Cb 0.07 0.22 -0.05 0.00 -1.43 0.00 0.00 32.58 31.39 2ww0 s HIS 327 CO 0.04 -0.50 1.07 -0.47 -2.00 0.00 0.00 174.74 172.89 2ww0 s TYR 328 N -1.58 3.58 -0.37 0.38 5.04 -1.26 -0.60 117.35 122.54 2ww0 s TYR 328 Ca -0.11 1.55 -0.25 0.00 -2.44 0.00 0.00 57.07 55.82 2ww0 s TYR 328 Cb -0.03 -3.24 0.01 0.00 0.35 0.00 0.00 41.96 39.05 2ww0 s TYR 328 CO 0.04 -0.53 0.87 0.45 -1.34 0.00 0.00 175.55 175.05 2ww0 s SER 329 N 0.87 6.62 0.00 4.32 0.15 0.27 -4.88 113.70 121.05 2ww0 s SER 329 Ca 0.54 0.46 0.22 0.00 0.70 0.00 0.00 55.95 57.87 2ww0 s SER 329 Cb -0.25 -2.44 1.28 0.00 -1.71 0.00 0.00 66.02 62.90 2ww0 s SER 329 CO 0.29 -0.82 1.67 -0.81 1.20 0.00 0.00 173.24 174.77 2ww0 n PRO 330 N 6.66 0.65 -0.12 5.44 -0.05 -1.26 0.28 135.00 146.59 2ww0 n PRO 330 Ca 0.05 0.01 -0.17 0.00 -0.05 0.00 0.00 63.50 63.34 2ww0 n PRO 330 Cb 0.48 -1.50 -0.12 0.00 -0.05 0.00 0.00 33.50 32.31 2ww0 n PRO 330 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 2ww0 n TYR 331 N -1.02 0.00 -0.58 0.54 4.01 -1.26 -4.03 117.16 114.82 2ww0 n TYR 331 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 2ww0 n TYR 331 Cb 0.08 -0.98 0.00 0.00 -0.31 0.00 0.00 39.34 38.13 2ww0 n TYR 331 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2ww0 n ASN 332 N -3.20 0.62 0.00 7.72 0.23 -1.21 -4.86 115.26 114.56 2ww0 n ASN 332 Ca -0.44 -1.19 0.00 0.00 -0.53 0.00 0.00 54.58 52.42 2ww0 n ASN 332 Cb 0.99 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.69 2ww0 n ASN 332 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ww0 n GLY 333 N -0.10 0.44 3.92 4.83 0.00 0.14 -4.99 105.19 109.43 2ww0 n GLY 333 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2ww0 n GLY 333 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ww0 s GLN 334 N -0.63 2.99 -0.24 1.61 -0.21 -1.26 -4.73 119.66 117.19 2ww0 s GLN 334 Ca 0.00 -0.08 -0.10 0.00 0.02 0.00 0.00 55.36 55.21 2ww0 s GLN 334 Cb 0.00 -2.33 -0.05 0.00 1.00 0.00 0.00 33.01 31.64 2ww0 s GLN 334 CO 0.00 -0.59 0.14 0.08 -2.12 0.00 0.00 175.29 172.80 2ww0 s VAL 335 N -2.90 5.09 0.14 1.09 1.01 -1.26 -0.57 120.40 123.01 2ww0 s VAL 335 Ca 0.52 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.64 2ww0 s VAL 335 Cb -0.10 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2ww0 s VAL 335 CO 0.44 0.34 -0.10 -0.76 0.00 0.00 0.00 175.10 175.02 2ww0 s LEU 336 N 1.23 2.53 0.59 3.92 1.43 0.24 -4.94 118.68 123.68 2ww0 s LEU 336 Ca 0.07 -1.01 -0.16 0.00 -1.03 0.00 0.00 54.13 51.99 2ww0 s LEU 336 Cb -0.14 -0.32 -0.03 0.00 0.03 0.00 0.00 46.19 45.72 2ww0 s LEU 336 CO 0.05 -0.34 1.07 -2.16 0.23 0.00 0.00 176.35 175.20 2ww0 s PRO 337 N -3.75 3.25 0.00 1.29 0.04 -1.26 -0.06 135.00 134.51 2ww0 s PRO 337 Ca 0.16 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.49 2ww0 s PRO 337 Cb 0.03 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2ww0 s PRO 337 CO 0.00 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.58 2ww0 n GLY 338 N -0.75 1.33 3.75 0.56 0.00 -0.22 -4.78 105.19 105.09 2ww0 n GLY 338 Ca 0.09 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 2ww0 n GLY 338 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ww0 s TYR 339 N -2.03 2.43 -0.28 1.61 2.02 -1.26 -4.17 117.35 115.67 2ww0 s TYR 339 Ca 0.00 1.58 -0.19 0.00 -0.37 0.00 0.00 57.07 58.09 2ww0 s TYR 339 Cb 0.00 -3.18 0.08 0.00 -0.40 0.00 0.00 41.96 38.46 2ww0 s TYR 339 CO 0.00 -1.95 0.70 1.41 -1.57 0.00 0.00 175.55 174.14 2ww0 s MET 340 N -4.42 0.75 0.20 -0.62 -2.45 -1.26 -4.20 119.30 107.31 2ww0 s MET 340 Ca 0.66 1.15 0.04 0.00 -1.25 0.00 0.00 55.69 56.29 2ww0 s MET 340 Cb -0.21 0.23 -0.05 0.00 1.25 0.00 0.00 34.83 36.05 2ww0 s MET 340 CO 0.49 -0.13 -0.05 -0.06 1.05 0.00 0.00 175.02 176.31 2ww0 s PHE 341 N 1.22 1.50 0.32 4.11 0.40 -1.26 0.02 117.98 124.29 2ww0 s PHE 341 Ca -0.07 -0.82 -0.15 0.00 -0.60 0.00 0.00 56.93 55.29 2ww0 s PHE 341 Cb -0.05 -0.82 0.06 0.00 0.51 0.00 0.00 43.02 42.71 2ww0 s PHE 341 CO -0.13 0.06 0.78 -2.37 0.70 0.00 0.00 175.22 174.26 2ww0 n THR 342 N -0.35 0.00 -2.66 0.64 5.66 -0.70 -4.85 114.28 112.01 2ww0 n THR 342 Ca -0.07 -0.81 -0.08 0.00 -3.05 0.00 0.00 64.05 60.04 2ww0 n THR 342 Cb 0.62 0.86 0.04 0.00 -1.55 0.00 0.00 70.33 70.30 2ww0 n THR 342 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2ww0 n ASP 343 N -1.43 -2.21 -3.83 1.09 8.00 -0.15 -1.01 116.55 117.02 2ww0 n ASP 343 Ca -0.07 -0.30 -0.12 0.00 0.71 0.00 0.00 54.79 55.01 2ww0 n ASP 343 Cb 0.54 -2.74 -0.09 0.00 -0.02 0.00 0.00 41.12 38.81 2ww0 n ASP 343 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2ww0 s THR 344 N -3.18 0.08 -0.24 -3.53 -1.32 -1.16 -4.27 115.64 102.02 2ww0 s THR 344 Ca 0.02 -0.65 -0.03 0.00 -1.21 0.00 0.00 61.69 59.82 2ww0 s THR 344 Cb -0.00 -0.59 0.01 0.00 -1.51 0.00 0.00 72.50 70.41 2ww0 s THR 344 CO 0.35 -0.36 -0.04 -0.83 -2.21 0.00 0.00 174.62 171.54 2ww0 s GLY 345 N -1.50 1.64 0.43 6.08 0.00 -1.26 -2.64 107.32 110.07 2ww0 s GLY 345 Ca -0.13 -1.35 0.19 0.00 0.00 0.00 0.00 44.72 43.44 2ww0 s GLY 345 CO 0.02 0.50 1.92 0.74 0.00 0.00 0.00 173.10 176.27 2ww0 h PHE 346 N 8.08 0.00 -0.53 1.90 0.04 -1.42 -0.95 116.94 124.06 2ww0 h PHE 346 Ca -0.36 0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.53 2ww0 h PHE 346 Cb 1.13 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.25 2ww0 h PHE 346 CO 0.58 0.26 0.37 2.35 -0.60 0.00 0.00 178.31 181.27 2ww0 h TRP 347 N 0.00 0.17 0.00 -0.55 7.01 -1.84 -0.98 115.95 119.77 2ww0 h TRP 347 Ca -0.00 0.00 -0.14 0.00 2.11 0.00 0.00 58.89 60.86 2ww0 h TRP 347 Cb 0.54 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.53 2ww0 h TRP 347 CO 0.00 0.07 -0.78 -0.44 -2.79 0.00 0.00 178.44 174.51 2ww0 h ASP 348 N 0.15 0.01 0.06 2.65 3.45 -1.59 -3.43 116.42 117.73 2ww0 h ASP 348 Ca 0.25 -0.71 0.00 0.00 0.43 0.00 0.00 57.03 57.00 2ww0 h ASP 348 Cb 0.79 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.56 2ww0 h ASP 348 CO -0.04 1.31 -0.38 0.35 -1.57 0.00 0.00 179.24 178.91 2ww0 n THR 349 N -4.48 0.00 0.12 0.35 -2.24 -0.69 -3.78 114.28 103.55 2ww0 n THR 349 Ca -0.23 -0.23 -0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2ww0 n THR 349 Cb 0.61 1.00 0.27 0.00 -2.10 0.00 0.00 70.33 70.11 2ww0 n THR 349 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 2ww0 h PHE 350 N 2.17 0.20 0.03 4.78 -0.00 -1.46 -1.77 116.94 120.90 2ww0 h PHE 350 Ca 0.00 -0.05 -0.00 0.00 -0.00 0.00 0.00 57.97 57.92 2ww0 h PHE 350 Cb 0.69 -0.05 -0.00 0.00 -0.00 0.00 0.00 35.95 36.59 2ww0 h PHE 350 CO 0.00 0.53 -0.02 0.00 -0.00 0.00 0.00 178.31 178.82 2ww0 h ARG 351 N 0.15 -0.05 0.00 6.09 3.08 -1.81 -3.42 114.38 118.43 2ww0 h ARG 351 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2ww0 h ARG 351 Cb 0.73 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2ww0 h ARG 351 CO 0.06 -0.03 0.00 0.00 -1.07 0.00 0.00 179.97 178.92 2ww0 h LEU 353 N 0.00 -0.02 -0.29 0.00 7.12 -1.78 -1.24 115.31 119.10 2ww0 h LEU 353 Ca 0.00 -0.34 -0.17 0.00 0.13 0.00 0.00 57.88 57.50 2ww0 h LEU 353 Cb 0.00 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.13 2ww0 h LEU 353 CO 0.00 0.33 -0.48 -0.26 -0.13 0.00 0.00 178.44 177.90 2ww0 h PHE 354 N -0.37 1.05 -0.95 1.25 0.04 -1.58 -2.31 116.94 114.07 2ww0 h PHE 354 Ca -0.00 -0.36 0.18 0.00 2.80 0.00 0.00 57.97 60.59 2ww0 h PHE 354 Cb 0.36 -0.20 -0.08 0.00 2.20 0.00 0.00 35.95 38.22 2ww0 h PHE 354 CO 0.04 1.18 0.61 -1.35 -0.60 0.00 0.00 178.31 178.19 2ww0 h PRO 355 N 0.62 0.61 -0.41 1.51 0.11 -1.79 0.26 132.00 132.90 2ww0 h PRO 355 Ca 0.02 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.01 2ww0 h PRO 355 Cb 1.09 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 2ww0 h PRO 355 CO 0.11 0.40 -0.09 1.25 -0.21 0.00 0.00 178.00 179.46 2ww0 h LEU 356 N 0.62 0.70 -0.81 2.35 5.85 -0.66 -1.79 115.31 121.57 2ww0 h LEU 356 Ca 0.51 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 59.00 2ww0 h LEU 356 Cb 0.96 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 2ww0 h LEU 356 CO -0.26 0.83 0.36 -0.07 -0.34 0.00 0.00 178.44 178.96 2ww0 h LEU 357 N 0.66 1.09 -1.35 2.25 3.38 -0.69 -1.79 115.31 118.86 2ww0 h LEU 357 Ca 0.12 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2ww0 h LEU 357 Cb 0.54 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2ww0 h LEU 357 CO 0.03 0.94 -0.30 0.78 0.09 0.00 0.00 178.44 179.99 2ww0 h ASN 358 N 1.17 0.05 0.00 -0.43 -0.26 -0.68 0.50 115.58 115.92 2ww0 h ASN 358 Ca 0.28 -0.01 -0.00 0.00 -0.56 0.00 0.00 56.30 56.00 2ww0 h ASN 358 Cb 0.16 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.41 2ww0 h ASN 358 CO -0.03 0.35 -0.00 0.25 -1.06 0.00 0.00 177.43 176.94 2ww0 h LEU 359 N 0.04 -0.00 0.00 1.61 5.85 -1.10 -3.39 115.31 118.32 2ww0 h LEU 359 Ca 0.00 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 57.85 2ww0 h LEU 359 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2ww0 h LEU 359 CO 0.04 0.87 -1.27 0.23 -0.34 0.00 0.00 178.44 177.97 2ww0 n MET 360 N -4.67 0.75 -2.89 1.25 2.81 -0.69 -4.77 117.12 108.91 2ww0 n MET 360 Ca -0.10 -0.07 -0.14 0.00 -1.81 0.00 0.00 57.70 55.58 2ww0 n MET 360 Cb 0.42 -1.17 -0.00 0.00 -0.71 0.00 0.00 33.22 31.76 2ww0 n MET 360 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2ww0 n TYR 361 N -1.73 0.97 -0.15 2.03 4.01 0.16 -4.54 117.16 117.91 2ww0 n TYR 361 Ca -0.01 -3.30 -0.03 0.00 -0.16 0.00 0.00 57.90 54.40 2ww0 n TYR 361 Cb 0.22 -0.39 0.17 0.00 -0.31 0.00 0.00 39.34 39.03 2ww0 n TYR 361 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2ww0 h PRO 362 N 2.98 0.88 -0.73 -0.72 0.11 -1.29 -1.95 132.00 131.28 2ww0 h PRO 362 Ca 0.01 -0.18 0.14 0.00 0.11 0.00 0.00 66.00 66.08 2ww0 h PRO 362 Cb 1.05 -0.13 -0.09 0.00 0.11 0.00 0.00 31.00 31.93 2ww0 h PRO 362 CO 0.53 0.79 0.28 0.66 -0.21 0.00 0.00 178.00 180.04 2ww0 h SER 363 N 0.85 0.24 -0.33 -2.05 4.64 -1.92 0.12 113.55 115.10 2ww0 h SER 363 Ca 0.19 0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 61.54 2ww0 h SER 363 Cb 0.30 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 2ww0 h SER 363 CO -0.00 0.09 -0.07 0.58 -0.87 0.00 0.00 176.83 176.56 2ww0 h VAL 364 N 0.42 1.28 0.00 0.95 2.07 -1.73 -3.07 116.25 116.17 2ww0 h VAL 364 Ca 0.40 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 2ww0 h VAL 364 Cb 0.60 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2ww0 h VAL 364 CO -0.40 0.37 -0.17 -1.13 0.02 0.00 0.00 177.57 176.26 2ww0 h ASN 365 N 0.42 0.00 -0.32 0.57 -1.24 -0.79 -2.14 115.58 112.09 2ww0 h ASN 365 Ca 0.08 0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.13 2ww0 h ASN 365 Cb 0.57 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.58 2ww0 h ASN 365 CO 0.03 0.17 0.11 0.50 -1.29 0.00 0.00 177.43 176.95 2ww0 h LYS 366 N 0.00 0.24 -0.65 6.67 1.63 -0.72 0.41 116.57 124.15 2ww0 h LYS 366 Ca -0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2ww0 h LYS 366 Cb 0.42 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 2ww0 h LYS 366 CO 0.02 0.16 0.41 0.93 -3.45 0.00 0.00 179.45 177.52 2ww0 h GLU 367 N 0.24 0.86 -0.57 1.90 5.08 -1.40 -1.24 114.58 119.46 2ww0 h GLU 367 Ca 0.14 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 2ww0 h GLU 367 Cb 0.11 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2ww0 h GLU 367 CO -0.15 0.59 0.01 0.52 -1.00 0.00 0.00 179.01 178.98 2ww0 h MET 368 N 0.88 0.97 -0.30 2.33 2.86 -0.74 -0.96 114.93 119.98 2ww0 h MET 368 Ca 0.24 -0.29 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 2ww0 h MET 368 Cb -0.07 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 2ww0 h MET 368 CO -0.05 0.95 -0.02 1.96 1.06 0.00 0.00 176.91 180.81 2ww0 h GLN 369 N 0.90 0.54 -0.97 1.72 1.08 0.06 -1.23 115.11 117.19 2ww0 h GLN 369 Ca 0.17 -0.18 0.09 0.00 -1.45 0.00 0.00 58.65 57.27 2ww0 h GLN 369 Cb 0.51 -0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 27.83 2ww0 h GLN 369 CO 0.03 0.70 0.62 0.93 -0.95 0.00 0.00 178.83 180.16 2ww0 h GLU 370 N 0.32 1.01 -0.85 1.46 4.39 -1.04 0.09 114.58 119.95 2ww0 h GLU 370 Ca 0.08 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2ww0 h GLU 370 Cb 0.47 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 2ww0 h GLU 370 CO 0.02 0.67 0.53 0.78 -1.16 0.00 0.00 179.01 179.85 2ww0 h GLY 371 N 1.04 1.22 1.11 -3.84 0.00 -0.59 -2.41 103.07 99.60 2ww0 h GLY 371 Ca 0.45 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 2ww0 h GLY 371 CO -0.20 0.47 0.31 1.41 0.00 0.00 0.00 176.54 178.53 2ww0 h LEU 372 N 1.17 1.04 -0.74 3.11 3.38 0.18 0.19 115.31 123.64 2ww0 h LEU 372 Ca 0.31 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.15 2ww0 h LEU 372 Cb -0.08 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.36 2ww0 h LEU 372 CO -0.06 0.92 0.47 0.40 0.09 0.00 0.00 178.44 180.26 2ww0 h ILE 373 N 1.11 1.14 -0.50 1.22 1.08 -0.93 -0.32 117.51 120.30 2ww0 h ILE 373 Ca 0.26 -0.32 -0.08 0.00 -0.39 0.00 0.00 64.86 64.33 2ww0 h ILE 373 Cb 0.20 0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 34.04 2ww0 h ILE 373 CO -0.02 0.17 0.01 0.78 -0.69 0.00 0.00 178.15 178.40 2ww0 h ASN 374 N 0.94 0.81 -0.37 1.72 -0.26 -0.94 -0.70 115.58 116.78 2ww0 h ASN 374 Ca 0.29 -0.20 0.04 0.00 -0.56 0.00 0.00 56.30 55.87 2ww0 h ASN 374 Cb -0.03 -0.21 -0.04 0.00 -1.06 0.00 0.00 38.32 36.97 2ww0 h ASN 374 CO -0.09 0.87 0.14 0.74 -1.06 0.00 0.00 177.43 178.03 2ww0 h THR 375 N 0.78 0.91 -0.41 2.81 2.02 0.16 0.92 112.91 120.11 2ww0 h THR 375 Ca 0.15 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 2ww0 h THR 375 Cb 0.46 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 2ww0 h THR 375 CO 0.02 0.05 0.21 0.22 0.37 0.00 0.00 175.52 176.40 2ww0 h TYR 376 N 0.30 0.58 -0.89 3.16 3.20 -0.59 0.74 116.97 123.47 2ww0 h TYR 376 Ca 0.16 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.02 2ww0 h TYR 376 Cb 0.13 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 2ww0 h TYR 376 CO -0.13 0.47 0.59 -0.07 -1.64 0.00 0.00 178.16 177.37 2ww0 h LEU 377 N 0.53 1.03 0.00 2.82 3.38 -0.61 0.14 115.31 122.60 2ww0 h LEU 377 Ca 0.14 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2ww0 h LEU 377 Cb 0.09 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2ww0 h LEU 377 CO -0.02 0.75 -0.59 -0.33 0.09 0.00 0.00 178.44 178.34 2ww0 h GLU 378 N 1.21 0.00 0.00 1.13 5.08 -0.53 -3.39 114.58 118.07 2ww0 h GLU 378 Ca 0.33 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.66 2ww0 h GLU 378 Cb -0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2ww0 h GLU 378 CO -0.07 0.17 -1.17 -1.13 -1.00 0.00 0.00 179.01 175.81 2ww0 n SER 379 N -2.99 4.32 0.00 1.42 3.41 0.23 -4.37 113.62 115.64 2ww0 n SER 379 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2ww0 n SER 379 Cb 0.63 0.80 0.00 0.00 -0.26 0.00 0.00 64.21 65.38 2ww0 n SER 379 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ww0 n GLY 380 N 2.63 3.46 3.28 5.00 0.00 0.48 -5.04 105.19 115.00 2ww0 n GLY 380 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 2ww0 n GLY 380 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ww0 s PHE 381 N -2.97 1.40 0.41 1.61 0.40 -1.26 -4.97 117.98 112.62 2ww0 s PHE 381 Ca 0.00 -0.69 -0.20 0.00 -0.60 0.00 0.00 56.93 55.44 2ww0 s PHE 381 Cb 0.00 -0.69 -0.11 0.00 0.51 0.00 0.00 43.02 42.73 2ww0 s PHE 381 CO 0.00 0.17 0.91 -0.06 0.70 0.00 0.00 175.22 176.94 2ww0 s PHE 382 N -3.14 3.32 0.54 0.36 0.08 -1.26 -3.48 117.98 114.41 2ww0 s PHE 382 Ca 0.18 1.53 -0.15 0.00 0.12 0.00 0.00 56.93 58.61 2ww0 s PHE 382 Cb 0.01 -2.79 -0.07 0.00 -0.57 0.00 0.00 43.02 39.60 2ww0 s PHE 382 CO 0.03 -0.08 1.00 -1.25 -0.10 0.00 0.00 175.22 174.82 2ww0 s PRO 383 N -3.16 3.82 -0.00 0.24 0.04 -1.26 -4.57 135.00 130.11 2ww0 s PRO 383 Ca 0.60 0.93 -0.06 0.00 0.04 0.00 0.00 61.00 62.51 2ww0 s PRO 383 Cb -0.09 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 2ww0 s PRO 383 CO 0.14 -0.38 -0.13 0.39 0.04 0.00 0.00 177.00 177.06 2ww0 n GLU 384 N -1.87 0.19 -4.45 4.56 -0.58 -1.26 -4.59 120.64 112.64 2ww0 n GLU 384 Ca 0.07 0.08 -0.33 0.00 -0.42 0.00 0.00 57.16 56.55 2ww0 n GLU 384 Cb 0.54 -0.83 -0.15 0.00 -0.57 0.00 0.00 31.44 30.43 2ww0 n GLU 384 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 2ww0 s TRP 385 N -2.32 2.82 -0.09 -0.32 -0.00 -1.26 -0.99 118.94 116.77 2ww0 s TRP 385 Ca -0.10 -0.96 0.01 0.00 -0.00 0.00 0.00 56.10 55.04 2ww0 s TRP 385 Cb 0.01 -1.92 0.02 0.00 -0.00 0.00 0.00 33.47 31.58 2ww0 s TRP 385 CO 0.15 -0.44 -0.11 0.00 -0.00 0.00 0.00 176.95 176.55 2ww0 s ALA 386 N 0.85 1.36 -0.25 5.86 0.00 -1.08 -1.37 121.76 127.13 2ww0 s ALA 386 Ca -0.04 -0.52 -0.04 0.00 0.00 0.00 0.00 51.96 51.36 2ww0 s ALA 386 Cb -0.15 -0.74 0.13 0.00 0.00 0.00 0.00 23.12 22.36 2ww0 s ALA 386 CO -0.00 -0.12 0.47 0.45 0.00 0.00 0.00 175.76 176.56 2ww0 s SER 387 N 1.10 -0.40 0.22 0.00 0.15 -1.26 -0.98 113.70 112.53 2ww0 s SER 387 Ca -0.06 0.72 0.06 0.00 0.70 0.00 0.00 55.95 57.37 2ww0 s SER 387 Cb -0.14 1.54 0.65 0.00 -1.71 0.00 0.00 66.02 66.36 2ww0 s SER 387 CO -0.02 -0.26 1.03 -0.81 1.20 0.00 0.00 173.24 174.38 2ww0 n PRO 388 N 5.40 -0.05 -0.38 5.44 -0.04 -1.26 -4.49 135.00 139.62 2ww0 n PRO 388 Ca -0.05 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 2ww0 n PRO 388 Cb 0.50 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 2ww0 n PRO 388 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ww0 n GLY 389 N -1.27 1.15 3.73 0.55 0.00 0.72 -4.65 105.19 105.43 2ww0 n GLY 389 Ca 0.19 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 2ww0 n GLY 389 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ww0 s HIS 390 N 0.95 3.02 0.10 1.61 3.76 -1.26 -4.15 115.29 119.32 2ww0 s HIS 390 Ca 0.00 0.83 0.05 0.00 -0.15 0.00 0.00 55.06 55.79 2ww0 s HIS 390 Cb 0.00 -3.88 -0.03 0.00 1.11 0.00 0.00 32.58 29.77 2ww0 s HIS 390 CO 0.00 -3.06 -0.13 1.03 -0.85 0.00 0.00 174.74 171.73 2ww0 s ARG 391 N 0.30 0.89 -0.63 1.40 1.81 -0.47 -4.37 118.95 117.89 2ww0 s ARG 391 Ca 0.64 -1.12 -0.17 0.00 -1.72 0.00 0.00 55.73 53.36 2ww0 s ARG 391 Cb -0.43 -0.74 0.13 0.00 -0.45 0.00 0.00 34.95 33.46 2ww0 s ARG 391 CO 0.38 0.14 0.67 0.20 -0.68 0.00 0.00 175.30 176.02 2ww0 s GLY 392 N -2.23 2.01 -0.17 -3.53 0.00 -1.26 -4.39 107.32 97.74 2ww0 s GLY 392 Ca 0.04 -2.52 -0.14 0.00 0.00 0.00 0.00 44.72 42.11 2ww0 s GLY 392 CO 0.02 1.44 0.45 0.00 0.00 0.00 0.00 173.10 175.01 2ww0 n MET 394 N 3.31 0.00 -4.11 0.00 2.81 -1.26 -4.64 117.12 113.23 2ww0 n MET 394 Ca -0.16 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.61 2ww0 n MET 394 Cb 0.56 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 33.01 2ww0 n MET 394 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2ww0 s VAL 395 N 0.00 0.00 0.00 2.03 -7.23 -1.26 -4.70 120.40 109.24 2ww0 s VAL 395 Ca 0.00 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.47 2ww0 s VAL 395 Cb 0.00 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.53 2ww0 s VAL 395 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 2ww0 n GLY 396 N -0.39 1.37 2.39 2.32 0.00 -1.26 -4.71 105.19 104.91 2ww0 n GLY 396 Ca 0.01 -1.87 -0.28 0.00 0.00 0.00 0.00 46.02 43.89 2ww0 n GLY 396 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ww0 n ASN 397 N -0.29 5.11 0.00 1.61 5.15 -1.26 -4.85 115.26 120.73 2ww0 n ASN 397 Ca 0.00 -3.74 0.13 0.00 -0.60 0.00 0.00 54.58 50.37 2ww0 n ASN 397 Cb 0.00 -0.50 0.63 0.00 -0.53 0.00 0.00 39.78 39.38 2ww0 n ASN 397 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2ww0 n ASN 398 N -0.56 0.00 -0.06 1.20 4.13 -1.26 -1.92 115.26 116.79 2ww0 n ASN 398 Ca 0.42 0.11 0.24 0.00 1.68 0.00 0.00 54.58 57.03 2ww0 n ASN 398 Cb 0.70 -0.36 0.71 0.00 -1.54 0.00 0.00 39.78 39.30 2ww0 n ASN 398 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2ww0 h SER 399 N 0.00 0.00 -0.79 6.41 4.64 -1.89 0.30 113.55 122.22 2ww0 h SER 399 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2ww0 h SER 399 Cb 0.32 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.37 2ww0 h SER 399 CO 0.00 0.00 0.52 0.00 -0.87 0.00 0.00 176.83 176.48 2ww0 h ALA 400 N 1.61 1.00 -0.13 5.18 0.00 -1.76 -0.41 119.26 124.76 2ww0 h ALA 400 Ca 0.32 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2ww0 h ALA 400 Cb 1.33 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2ww0 h ALA 400 CO -0.00 0.41 -0.04 1.03 0.00 0.00 0.00 179.25 180.64 2ww0 h SER 401 N 1.07 0.25 -0.35 0.00 0.87 -0.66 -1.32 113.55 113.41 2ww0 h SER 401 Ca 0.29 -0.39 0.07 0.00 -1.23 0.00 0.00 61.79 60.54 2ww0 h SER 401 Cb -0.12 -0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 61.70 2ww0 h SER 401 CO -0.07 0.58 -0.12 0.40 -0.53 0.00 0.00 176.83 177.10 2ww0 h ILE 402 N -0.08 0.59 -0.05 2.23 1.08 -1.16 0.12 117.51 120.24 2ww0 h ILE 402 Ca 0.03 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.49 2ww0 h ILE 402 Cb 0.48 0.59 -0.00 0.00 -3.07 0.00 0.00 36.82 34.81 2ww0 h ILE 402 CO 0.01 0.00 -0.03 -0.07 -0.69 0.00 0.00 178.15 177.38 2ww0 h LEU 403 N -0.04 0.10 -0.48 1.44 3.38 -1.03 -2.53 115.31 116.15 2ww0 h LEU 403 Ca 0.17 -0.44 -0.15 0.00 0.09 0.00 0.00 57.88 57.55 2ww0 h LEU 403 Cb 0.31 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2ww0 h LEU 403 CO -0.38 0.52 -0.38 0.58 0.09 0.00 0.00 178.44 178.86 2ww0 h VAL 404 N -0.31 1.28 -0.72 1.22 2.07 -1.15 -2.17 116.25 116.46 2ww0 h VAL 404 Ca 0.01 -1.56 0.01 0.00 0.82 0.00 0.00 66.70 65.98 2ww0 h VAL 404 Cb 0.49 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 2ww0 h VAL 404 CO 0.01 0.51 0.47 -0.78 0.02 0.00 0.00 177.57 177.80 2ww0 h ASP 405 N 0.68 0.81 0.11 0.57 3.58 -0.76 0.24 116.42 121.65 2ww0 h ASP 405 Ca 0.06 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 2ww0 h ASP 405 Cb 0.95 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.81 2ww0 h ASP 405 CO 0.09 0.58 -0.05 0.00 -2.88 0.00 0.00 179.24 176.97 2ww0 h ALA 406 N 1.27 -0.15 -0.03 -0.78 0.00 -1.31 -1.93 119.26 116.33 2ww0 h ALA 406 Ca 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2ww0 h ALA 406 Cb -0.09 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2ww0 h ALA 406 CO -0.07 -0.56 0.01 -0.92 0.00 0.00 0.00 179.25 177.72 2ww0 h TYR 407 N -0.20 0.03 0.00 0.00 5.03 -1.02 -0.38 116.97 120.43 2ww0 h TYR 407 Ca -0.02 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.30 2ww0 h TYR 407 Cb 0.16 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.43 2ww0 h TYR 407 CO -0.06 0.02 0.00 0.52 -1.32 0.00 0.00 178.16 177.32 2ww0 h MET 408 N 0.03 0.00 -0.37 1.82 2.86 -0.93 -2.33 114.93 116.01 2ww0 h MET 408 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2ww0 h MET 408 Cb -0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2ww0 h MET 408 CO -0.00 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.60 2ww0 n LYS 409 N -2.36 3.19 -0.02 1.72 5.02 -0.57 -4.94 118.16 120.19 2ww0 n LYS 409 Ca -0.00 -2.65 0.00 0.00 -2.02 0.00 0.00 58.31 53.64 2ww0 n LYS 409 Cb 0.12 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 2ww0 n LYS 409 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ww0 n GLY 410 N 0.13 0.32 3.40 0.72 0.00 -0.87 -5.02 105.19 103.86 2ww0 n GLY 410 Ca 0.20 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.77 2ww0 n GLY 410 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ww0 s VAL 411 N -2.08 4.95 -0.19 1.61 1.01 -0.26 -5.00 120.40 120.44 2ww0 s VAL 411 Ca 0.00 -1.52 -0.03 0.00 0.00 0.00 0.00 61.98 60.43 2ww0 s VAL 411 Cb 0.00 -4.60 -0.01 0.00 0.00 0.00 0.00 36.38 31.77 2ww0 s VAL 411 CO 0.00 -1.26 -0.07 -0.54 0.00 0.00 0.00 175.10 173.23 2ww0 s LYS 412 N 2.17 3.42 0.71 2.72 1.02 -1.26 -2.96 119.74 125.55 2ww0 s LYS 412 Ca 0.21 -0.63 -0.12 0.00 0.02 0.00 0.00 55.97 55.45 2ww0 s LYS 412 Cb -0.13 -2.89 0.02 0.00 -0.52 0.00 0.00 37.83 34.30 2ww0 s LYS 412 CO -0.03 -0.03 1.08 0.14 -0.92 0.00 0.00 175.35 175.60 2ww0 s VAL 413 N 1.02 3.53 0.09 3.17 -7.23 -1.26 -4.97 120.40 114.76 2ww0 s VAL 413 Ca 0.00 0.57 -0.17 0.00 -1.81 0.00 0.00 61.98 60.57 2ww0 s VAL 413 Cb -0.15 -3.13 -0.09 0.00 0.56 0.00 0.00 36.38 33.58 2ww0 s VAL 413 CO -0.00 -0.58 1.44 0.44 -0.31 0.00 0.00 175.10 176.08 2ww0 h ASP 414 N -0.59 0.61 -2.14 4.85 3.32 -1.98 -3.37 116.42 117.11 2ww0 h ASP 414 Ca -0.45 -0.43 -0.73 0.00 0.02 0.00 0.00 57.03 55.44 2ww0 h ASP 414 Cb 1.23 -0.17 -0.17 0.00 0.22 0.00 0.00 39.33 40.44 2ww0 h ASP 414 CO 0.54 0.91 1.33 -0.62 -1.72 0.00 0.00 179.24 179.68 2ww0 s ASP 415 N -6.31 7.02 0.33 6.45 -1.08 -1.26 -4.79 116.67 117.02 2ww0 s ASP 415 Ca -0.13 -2.87 0.13 0.00 -0.52 0.00 0.00 52.55 49.16 2ww0 s ASP 415 Cb 0.08 -2.41 0.56 0.00 -1.46 0.00 0.00 42.92 39.69 2ww0 s ASP 415 CO 0.79 -0.80 1.71 0.40 0.52 0.00 0.00 175.17 177.80 2ww0 h ILE 416 N 4.82 1.25 -0.76 4.11 2.04 -2.00 -2.22 117.51 124.75 2ww0 h ILE 416 Ca 0.30 -1.70 -0.03 0.00 1.00 0.00 0.00 64.86 64.43 2ww0 h ILE 416 Cb 0.89 1.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.88 2ww0 h ILE 416 CO 1.24 0.47 0.35 0.50 0.00 0.00 0.00 178.15 180.71 2ww0 h LYS 417 N 0.00 1.11 -0.35 2.37 3.64 -1.96 -1.54 116.57 119.83 2ww0 h LYS 417 Ca -0.00 -0.17 -0.13 0.00 -1.27 0.00 0.00 60.65 59.07 2ww0 h LYS 417 Cb 0.90 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 2ww0 h LYS 417 CO 0.06 0.87 -0.30 1.15 -2.27 0.00 0.00 179.45 178.97 2ww0 h THR 418 N 1.08 1.29 -0.31 1.00 2.02 -1.90 -2.01 112.91 114.07 2ww0 h THR 418 Ca 0.26 -1.46 0.04 0.00 0.77 0.00 0.00 66.41 66.02 2ww0 h THR 418 Cb 0.14 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 2ww0 h THR 418 CO -0.03 0.48 0.06 0.25 0.37 0.00 0.00 175.52 176.65 2ww0 h LEU 419 N 0.60 0.01 -0.15 2.58 5.85 -0.96 0.13 115.31 123.37 2ww0 h LEU 419 Ca 0.06 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2ww0 h LEU 419 Cb 0.87 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 2ww0 h LEU 419 CO 0.08 0.04 -0.04 0.22 -0.34 0.00 0.00 178.44 178.40 2ww0 h TYR 420 N 0.17 0.32 -0.54 1.25 3.20 -1.21 -1.66 116.97 118.50 2ww0 h TYR 420 Ca 0.14 -0.07 0.07 0.00 3.14 0.00 0.00 58.73 62.01 2ww0 h TYR 420 Cb 0.16 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.29 2ww0 h TYR 420 CO -0.18 0.57 0.22 0.93 -1.64 0.00 0.00 178.16 178.06 2ww0 h GLU 421 N -0.02 0.41 -0.29 1.82 5.08 -1.24 -0.80 114.58 119.53 2ww0 h GLU 421 Ca 0.04 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 2ww0 h GLU 421 Cb 0.47 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 2ww0 h GLU 421 CO 0.02 0.27 -0.08 0.78 -1.00 0.00 0.00 179.01 178.99 2ww0 h GLY 422 N 0.42 0.20 0.59 -3.84 0.00 -0.56 0.29 103.07 100.17 2ww0 h GLY 422 Ca 0.26 0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.73 2ww0 h GLY 422 CO -0.24 -0.12 -0.06 1.41 0.00 0.00 0.00 176.54 177.54 2ww0 h LEU 423 N -0.01 -0.22 -0.98 3.11 3.38 -0.47 -1.91 115.31 118.21 2ww0 h LEU 423 Ca 0.14 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 2ww0 h LEU 423 Cb 0.23 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2ww0 h LEU 423 CO -0.31 -0.08 0.27 0.40 0.09 0.00 0.00 178.44 178.81 2ww0 h ILE 424 N -0.02 1.24 -0.88 1.22 1.08 -0.91 -2.84 117.51 116.39 2ww0 h ILE 424 Ca 0.10 -0.74 0.02 0.00 -0.39 0.00 0.00 64.86 63.84 2ww0 h ILE 424 Cb 0.17 0.43 -0.05 0.00 -3.07 0.00 0.00 36.82 34.30 2ww0 h ILE 424 CO -0.21 0.30 0.57 -0.74 -0.69 0.00 0.00 178.15 177.38 2ww0 h HIS 425 N 0.98 1.08 0.00 1.37 2.76 -0.23 -1.76 115.15 119.36 2ww0 h HIS 425 Ca 0.23 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 2ww0 h HIS 425 Cb 0.20 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 28.79 2ww0 h HIS 425 CO 0.02 0.65 0.00 0.41 -1.30 0.00 0.00 177.93 177.70 2ww0 n GLY 426 N -1.34 -1.14 0.07 5.26 0.00 -0.79 -2.28 105.19 104.97 2ww0 n GLY 426 Ca 0.10 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.22 2ww0 n GLY 426 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ww0 n THR 427 N -1.70 0.38 -1.00 2.61 -2.24 -0.66 -3.10 114.28 108.57 2ww0 n THR 427 Ca 0.04 -0.28 0.05 0.00 -2.27 0.00 0.00 64.05 61.59 2ww0 n THR 427 Cb 0.21 -0.17 0.07 0.00 -2.10 0.00 0.00 70.33 68.34 2ww0 n THR 427 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ww0 n GLU 428 N -2.13 1.32 -3.91 -0.78 -0.58 -0.97 -4.86 120.64 108.73 2ww0 n GLU 428 Ca 0.03 -1.88 -0.10 0.00 -0.42 0.00 0.00 57.16 54.80 2ww0 n GLU 428 Cb 0.44 -1.12 -0.10 0.00 -0.57 0.00 0.00 31.44 30.09 2ww0 n GLU 428 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2ww0 s ASN 429 N -1.88 0.12 -0.01 1.62 0.01 -1.04 -5.02 114.94 108.74 2ww0 s ASN 429 Ca 0.16 -0.40 0.05 0.00 -0.71 0.00 0.00 52.86 51.96 2ww0 s ASN 429 Cb 0.14 0.21 -0.01 0.00 0.41 0.00 0.00 41.25 42.00 2ww0 s ASN 429 CO 0.02 -0.45 -0.15 0.54 -1.51 0.00 0.00 177.10 175.55 2ww0 s VAL 430 N -2.08 1.20 0.25 1.60 0.11 -1.26 -0.88 120.40 119.34 2ww0 s VAL 430 Ca -0.09 -0.65 -0.31 0.00 -2.93 0.00 0.00 61.98 58.00 2ww0 s VAL 430 Cb -0.04 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 33.68 2ww0 s VAL 430 CO -0.02 0.34 1.43 1.57 -3.33 0.00 0.00 175.10 175.09 2ww0 n HIS 431 N 2.71 2.27 0.16 1.54 -0.00 0.38 -4.88 115.22 117.41 2ww0 n HIS 431 Ca -0.14 0.41 0.06 0.00 0.46 0.00 0.00 57.72 58.50 2ww0 n HIS 431 Cb 0.55 -2.48 0.52 0.00 -0.12 0.00 0.00 29.99 28.46 2ww0 n HIS 431 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2ww0 h PRO 432 N 4.21 0.18 0.00 1.57 0.11 -2.00 -3.27 132.00 132.80 2ww0 h PRO 432 Ca -0.45 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 2ww0 h PRO 432 Cb 1.27 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 2ww0 h PRO 432 CO 0.76 0.18 -1.53 0.39 -0.21 0.00 0.00 178.00 177.58 2ww0 n GLU 433 N -4.45 2.20 -3.58 1.05 4.71 -1.26 -4.91 120.64 114.40 2ww0 n GLU 433 Ca -0.01 0.01 -0.40 0.00 -0.01 0.00 0.00 57.16 56.75 2ww0 n GLU 433 Cb 0.13 -1.20 -0.09 0.00 -1.01 0.00 0.00 31.44 29.28 2ww0 n GLU 433 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2ww0 s VAL 434 N -2.19 4.14 -1.17 2.62 1.01 -1.23 -4.94 120.40 118.64 2ww0 s VAL 434 Ca -0.06 -1.96 0.16 0.00 0.00 0.00 0.00 61.98 60.12 2ww0 s VAL 434 Cb 0.03 -3.73 0.19 0.00 0.00 0.00 0.00 36.38 32.87 2ww0 s VAL 434 CO 0.30 -0.79 1.50 -1.54 0.00 0.00 0.00 175.10 174.56 2ww0 n SER 435 N 4.70 0.00 -0.81 3.32 3.41 -1.26 -1.34 113.62 121.64 2ww0 n SER 435 Ca -0.05 0.32 0.10 0.00 -0.26 0.00 0.00 58.87 58.98 2ww0 n SER 435 Cb 0.41 -0.41 0.27 0.00 -0.26 0.00 0.00 64.21 64.22 2ww0 n SER 435 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ww0 n SER 436 N -1.41 2.39 -4.30 4.04 3.41 -1.26 -4.18 113.62 112.31 2ww0 n SER 436 Ca 0.05 -1.89 -0.34 0.00 -0.26 0.00 0.00 58.87 56.43 2ww0 n SER 436 Cb 0.16 -0.22 -0.15 0.00 -0.26 0.00 0.00 64.21 63.75 2ww0 n SER 436 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2ww0 s THR 437 N -1.55 3.00 0.00 6.66 2.01 -0.45 -4.60 115.64 120.72 2ww0 s THR 437 Ca 0.33 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.69 2ww0 s THR 437 Cb 0.18 -2.31 0.00 0.00 0.01 0.00 0.00 72.50 70.38 2ww0 s THR 437 CO 0.25 0.48 0.00 0.61 -0.69 0.00 0.00 174.62 175.27 2ww0 n GLY 438 N 4.31 -1.97 3.19 4.40 0.00 -1.26 -0.47 105.19 113.38 2ww0 n GLY 438 Ca -0.19 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 2ww0 n GLY 438 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ww0 s ARG 439 N 0.00 2.36 0.31 1.61 0.52 -0.06 -4.78 118.95 118.91 2ww0 s ARG 439 Ca 0.00 -1.78 -0.30 0.00 -0.52 0.00 0.00 55.73 53.14 2ww0 s ARG 439 Cb 0.00 -3.84 -0.11 0.00 0.52 0.00 0.00 34.95 31.51 2ww0 s ARG 439 CO 0.00 -1.16 1.59 -1.17 0.02 0.00 0.00 175.30 174.57 2ww0 s LEU 440 N 1.31 4.33 -0.11 2.53 2.96 -1.26 -2.49 118.68 125.96 2ww0 s LEU 440 Ca 0.06 2.99 0.00 0.00 -0.22 0.00 0.00 54.13 56.97 2ww0 s LEU 440 Cb -0.25 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.79 2ww0 s LEU 440 CO -0.02 -0.92 0.00 0.61 -1.32 0.00 0.00 176.35 174.70 2ww0 n GLY 441 N 1.82 0.50 0.26 7.98 0.00 -1.26 -4.93 105.19 109.55 2ww0 n GLY 441 Ca 0.07 -0.44 0.09 0.00 0.00 0.00 0.00 46.02 45.74 2ww0 n GLY 441 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2ww0 h TYR 442 N 0.00 0.00 0.66 1.61 -0.00 -1.82 -1.49 116.97 115.94 2ww0 h TYR 442 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.68 2ww0 h TYR 442 Cb 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.86 2ww0 h TYR 442 CO 0.07 0.07 -0.41 0.93 -0.00 0.00 0.00 178.16 178.81 2ww0 h GLU 443 N 0.00 -0.98 0.13 0.10 5.08 -1.91 0.54 114.58 117.54 2ww0 h GLU 443 Ca -0.00 0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2ww0 h GLU 443 Cb 0.13 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2ww0 h GLU 443 CO 0.01 -0.65 -0.19 1.88 -1.00 0.00 0.00 179.01 179.06 2ww0 h TYR 444 N -1.02 -0.50 -0.34 4.33 0.05 -1.77 -1.81 116.97 115.92 2ww0 h TYR 444 Ca -0.08 0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.78 2ww0 h TYR 444 Cb 0.82 0.20 -0.08 0.00 1.01 0.00 0.00 36.73 38.69 2ww0 h TYR 444 CO -0.11 -0.28 -0.17 -0.92 -1.05 0.00 0.00 178.16 175.63 2ww0 h TYR 445 N -0.38 -0.42 -0.26 4.88 3.20 -1.13 0.72 116.97 123.57 2ww0 h TYR 445 Ca 0.02 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 2ww0 h TYR 445 Cb 0.38 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 2ww0 h TYR 445 CO -0.17 -0.25 -0.08 -0.91 -1.64 0.00 0.00 178.16 175.11 2ww0 h ASN 446 N -0.12 0.40 0.08 -2.11 -0.26 -0.80 0.28 115.58 113.06 2ww0 h ASN 446 Ca 0.17 -0.08 -0.16 0.00 -0.56 0.00 0.00 56.30 55.67 2ww0 h ASN 446 Cb 0.38 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.54 2ww0 h ASN 446 CO -0.42 0.52 -0.78 0.50 -1.06 0.00 0.00 177.43 176.19 2ww0 h LYS 447 N 0.40 0.16 0.00 0.81 3.64 -0.21 -3.40 116.57 117.97 2ww0 h LYS 447 Ca 0.08 -0.28 -0.08 0.00 -1.27 0.00 0.00 60.65 59.11 2ww0 h LYS 447 Cb 0.39 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2ww0 h LYS 447 CO 0.02 1.13 -1.90 1.28 -2.27 0.00 0.00 179.45 177.72 2ww0 n LEU 448 N -4.25 0.17 0.00 5.20 7.99 0.23 -4.99 117.00 121.36 2ww0 n LEU 448 Ca -0.18 0.07 0.00 0.00 -0.01 0.00 0.00 56.01 55.89 2ww0 n LEU 448 Cb 0.73 0.08 0.00 0.00 -0.11 0.00 0.00 43.42 44.12 2ww0 n LEU 448 CO 0.39 0.07 0.00 0.61 -1.51 0.00 0.00 177.39 176.95 2ww0 n GLY 449 N 1.34 0.66 3.62 -0.72 0.00 0.99 -5.03 105.19 106.05 2ww0 n GLY 449 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 2ww0 n GLY 449 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ww0 s TYR 450 N -2.52 -0.25 -0.33 1.61 1.13 -1.23 -4.75 117.35 111.00 2ww0 s TYR 450 Ca 0.00 -0.10 -0.14 0.00 -1.41 0.00 0.00 57.07 55.43 2ww0 s TYR 450 Cb 0.00 0.55 -0.02 0.00 -1.10 0.00 0.00 41.96 41.39 2ww0 s TYR 450 CO 0.00 -1.02 0.29 0.08 -2.51 0.00 0.00 175.55 172.40 2ww0 s VAL 451 N -3.86 5.23 0.54 -3.49 1.01 -1.26 -3.23 120.40 115.34 2ww0 s VAL 451 Ca 0.08 -0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.83 2ww0 s VAL 451 Cb -0.03 -3.74 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 2ww0 s VAL 451 CO -0.02 -0.01 0.99 -2.65 0.00 0.00 0.00 175.10 173.41 2ww0 n PRO 452 N 5.23 1.10 0.07 2.72 -0.02 -1.26 -4.45 135.00 138.39 2ww0 n PRO 452 Ca -0.11 0.41 0.13 0.00 -2.02 0.00 0.00 63.50 61.91 2ww0 n PRO 452 Cb 0.50 -2.14 0.47 0.00 -0.02 0.00 0.00 33.50 32.31 2ww0 n PRO 452 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2ww0 n TYR 453 N -1.27 0.63 -1.74 6.00 4.19 0.51 -4.03 117.16 121.45 2ww0 n TYR 453 Ca 0.12 0.19 0.02 0.00 3.31 0.00 0.00 57.90 61.53 2ww0 n TYR 453 Cb 0.45 -0.80 0.17 0.00 0.49 0.00 0.00 39.34 39.64 2ww0 n TYR 453 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 2ww0 n ASP 454 N -2.02 2.06 -0.37 2.98 5.75 -1.26 -4.73 116.55 118.96 2ww0 n ASP 454 Ca 0.06 -3.72 0.08 0.00 -0.01 0.00 0.00 54.79 51.19 2ww0 n ASP 454 Cb 0.39 -0.49 0.17 0.00 -1.03 0.00 0.00 41.12 40.16 2ww0 n ASP 454 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2ww0 n VAL 455 N -0.94 1.97 -1.77 2.12 0.24 -1.26 -4.90 118.33 113.79 2ww0 n VAL 455 Ca 0.21 -2.69 -0.12 0.00 -2.04 0.00 0.00 64.34 59.71 2ww0 n VAL 455 Cb 0.76 -0.20 -0.03 0.00 -1.47 0.00 0.00 33.84 32.90 2ww0 n VAL 455 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2ww0 n LYS 456 N -1.21 -0.88 -4.05 7.34 4.76 -1.26 -4.99 118.16 117.86 2ww0 n LYS 456 Ca 0.17 0.75 -0.33 0.00 -2.87 0.00 0.00 58.31 56.03 2ww0 n LYS 456 Cb 0.68 -4.82 -0.15 0.00 -1.84 0.00 0.00 35.03 28.89 2ww0 n LYS 456 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2ww0 s ILE 457 N -2.51 2.32 0.41 -0.18 1.01 -1.26 -5.11 121.20 115.87 2ww0 s ILE 457 Ca 0.00 -1.33 -0.22 0.00 0.00 0.00 0.00 60.65 59.10 2ww0 s ILE 457 Cb 0.00 -2.23 -0.11 0.00 0.01 0.00 0.00 42.46 40.14 2ww0 s ILE 457 CO 0.00 0.16 0.95 0.20 0.00 0.00 0.00 174.94 176.25 2ww0 s ASN 458 N 1.20 7.02 -1.30 3.58 0.01 -1.26 -3.66 114.94 120.53 2ww0 s ASN 458 Ca -0.03 1.72 -0.02 0.00 -0.71 0.00 0.00 52.86 53.81 2ww0 s ASN 458 Cb -0.17 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 38.94 2ww0 s ASN 458 CO -0.07 -0.30 0.27 -0.62 -1.51 0.00 0.00 177.10 174.88 2ww0 n GLU 459 N -0.38 -2.77 -0.26 -0.60 1.02 0.46 -4.90 120.64 113.21 2ww0 n GLU 459 Ca 0.06 0.75 -0.03 0.00 -0.02 0.00 0.00 57.16 57.92 2ww0 n GLU 459 Cb 0.53 -5.19 0.08 0.00 -0.02 0.00 0.00 31.44 26.84 2ww0 n GLU 459 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 2ww0 h ASN 460 N -0.63 0.76 -0.61 1.62 -1.07 -1.61 -0.84 115.58 113.19 2ww0 h ASN 460 Ca -0.41 -0.00 -0.04 0.00 0.07 0.00 0.00 56.30 55.92 2ww0 h ASN 460 Cb 1.29 -0.17 -0.03 0.00 -2.07 0.00 0.00 38.32 37.34 2ww0 h ASN 460 CO 0.45 0.53 0.23 0.00 0.07 0.00 0.00 177.43 178.71 2ww0 h ALA 461 N 1.31 0.80 -0.51 4.14 0.00 -1.04 0.37 119.26 124.32 2ww0 h ALA 461 Ca 0.29 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2ww0 h ALA 461 Cb 0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2ww0 h ALA 461 CO -0.11 0.43 -0.11 0.00 0.00 0.00 0.00 179.25 179.46 2ww0 h ALA 462 N 1.08 0.84 -0.24 0.00 0.00 -1.03 -1.83 119.26 118.08 2ww0 h ALA 462 Ca 0.20 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2ww0 h ALA 462 Cb 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2ww0 h ALA 462 CO -0.01 0.65 0.09 0.00 0.00 0.00 0.00 179.25 179.98 2ww0 h ARG 463 N 0.85 0.36 0.00 0.00 3.08 -0.80 -1.99 114.38 115.88 2ww0 h ARG 463 Ca 0.13 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.14 2ww0 h ARG 463 Cb 0.65 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 2ww0 h ARG 463 CO 0.05 0.41 -0.15 1.15 -1.07 0.00 0.00 179.97 180.36 2ww0 h THR 464 N 0.23 0.63 -0.42 2.04 2.02 -0.79 0.30 112.91 116.93 2ww0 h THR 464 Ca 0.08 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.30 2ww0 h THR 464 Cb 0.19 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 2ww0 h THR 464 CO -0.01 0.00 0.20 -0.07 0.37 0.00 0.00 175.52 176.01 2ww0 h LEU 465 N -0.25 0.28 -0.41 2.58 3.38 -1.27 -1.39 115.31 118.23 2ww0 h LEU 465 Ca 0.05 0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 2ww0 h LEU 465 Cb 0.32 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2ww0 h LEU 465 CO -0.15 0.20 -0.60 -0.33 0.09 0.00 0.00 178.44 177.66 2ww0 h GLU 466 N 0.40 0.64 -0.91 1.13 5.08 -1.09 -2.68 114.58 117.16 2ww0 h GLU 466 Ca 0.18 -0.43 0.07 0.00 -1.00 0.00 0.00 59.36 58.18 2ww0 h GLU 466 Cb 0.10 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 2ww0 h GLU 466 CO -0.14 1.05 0.57 1.88 -1.00 0.00 0.00 179.01 181.37 2ww0 h TYR 467 N 0.48 1.05 -0.32 4.33 0.05 -0.08 0.20 116.97 122.68 2ww0 h TYR 467 Ca -0.00 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.82 2ww0 h TYR 467 Cb 1.17 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 38.55 2ww0 h TYR 467 CO 0.06 0.51 0.18 0.00 -1.05 0.00 0.00 178.16 177.85 2ww0 h ALA 468 N 1.44 0.39 -0.67 3.88 0.00 -0.96 0.33 119.26 123.68 2ww0 h ALA 468 Ca 0.41 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.24 2ww0 h ALA 468 Cb 0.24 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2ww0 h ALA 468 CO -0.20 -0.19 0.10 -0.92 0.00 0.00 0.00 179.25 178.04 2ww0 h TYR 469 N 0.36 1.18 -0.16 0.00 3.20 -1.05 -1.92 116.97 118.58 2ww0 h TYR 469 Ca 0.13 -0.16 0.04 0.00 3.14 0.00 0.00 58.73 61.87 2ww0 h TYR 469 Cb 0.01 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 37.92 2ww0 h TYR 469 CO -0.08 0.99 -0.10 -0.44 -1.64 0.00 0.00 178.16 176.89 2ww0 h ASP 470 N 1.03 -0.32 -0.13 -2.11 3.32 0.27 -1.92 116.42 116.57 2ww0 h ASP 470 Ca 0.20 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 2ww0 h ASP 470 Cb 0.45 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 2ww0 h ASP 470 CO 0.01 -0.13 0.08 0.44 -1.72 0.00 0.00 179.24 177.93 2ww0 h ASP 471 N -0.09 0.16 -0.67 6.45 3.32 -0.01 0.11 116.42 125.68 2ww0 h ASP 471 Ca 0.09 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2ww0 h ASP 471 Cb 0.23 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2ww0 h ASP 471 CO -0.22 0.13 0.35 -0.25 -1.72 0.00 0.00 179.24 177.52 2ww0 h TRP 472 N 0.19 0.95 -0.49 4.55 7.01 -0.60 0.14 115.95 127.70 2ww0 h TRP 472 Ca 0.05 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.01 2ww0 h TRP 472 Cb -0.00 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 26.73 2ww0 h TRP 472 CO 0.00 0.70 0.31 0.00 -2.79 0.00 0.00 178.44 176.65 2ww0 h ILE 474 N 0.66 1.16 -0.94 0.00 2.04 -0.98 -0.99 117.51 118.46 2ww0 h ILE 474 Ca 0.18 -0.48 0.15 0.00 1.00 0.00 0.00 64.86 65.71 2ww0 h ILE 474 Cb -0.03 1.12 -0.09 0.00 -0.74 0.00 0.00 36.82 37.08 2ww0 h ILE 474 CO -0.04 0.15 0.55 0.22 0.00 0.00 0.00 178.15 179.04 2ww0 h TYR 475 N 0.16 0.99 -0.23 1.37 5.03 -0.26 0.31 116.97 124.33 2ww0 h TYR 475 Ca 0.06 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.40 2ww0 h TYR 475 Cb 0.17 -0.30 -0.01 0.00 1.55 0.00 0.00 36.73 38.14 2ww0 h TYR 475 CO -0.01 0.30 0.11 0.00 -1.32 0.00 0.00 178.16 177.24 2ww0 h ARG 476 N 0.80 0.34 -0.30 1.82 2.47 -0.04 -1.34 114.38 118.14 2ww0 h ARG 476 Ca 0.50 -0.05 -0.15 0.00 -1.26 0.00 0.00 59.98 59.01 2ww0 h ARG 476 Cb 0.64 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.90 2ww0 h ARG 476 CO -0.33 0.36 -0.42 1.25 0.56 0.00 0.00 179.97 181.39 2ww0 h LEU 477 N 0.24 0.88 -0.85 3.04 5.85 -0.29 -2.47 115.31 121.72 2ww0 h LEU 477 Ca 0.08 -0.50 0.03 0.00 0.84 0.00 0.00 57.88 58.33 2ww0 h LEU 477 Cb 0.13 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 2ww0 h LEU 477 CO -0.01 1.21 0.54 0.00 -0.34 0.00 0.00 178.44 179.85 2ww0 h ALA 478 N 0.69 1.11 -0.16 1.25 0.00 -0.32 0.70 119.26 122.53 2ww0 h ALA 478 Ca 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2ww0 h ALA 478 Cb 1.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2ww0 h ALA 478 CO 0.10 0.39 0.08 -0.22 0.00 0.00 0.00 179.25 179.59 2ww0 h LYS 479 N 1.06 0.23 -0.93 0.00 3.64 -1.16 -1.61 116.57 117.80 2ww0 h LYS 479 Ca 0.34 -0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.83 2ww0 h LYS 479 Cb -0.00 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 31.68 2ww0 h LYS 479 CO -0.11 0.27 0.54 1.49 -2.27 0.00 0.00 179.45 179.37 2ww0 h GLU 480 N 0.14 0.76 0.00 1.90 4.57 -0.91 -0.54 114.58 120.49 2ww0 h GLU 480 Ca 0.06 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2ww0 h GLU 480 Cb 0.11 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 2ww0 h GLU 480 CO -0.01 0.50 0.00 1.28 -1.18 0.00 0.00 179.01 179.61 2ww0 n LEU 481 N -4.76 0.00 -3.41 1.64 4.32 0.18 -4.88 117.00 110.09 2ww0 n LEU 481 Ca 0.19 0.30 -0.21 0.00 -0.02 0.00 0.00 56.01 56.27 2ww0 n LEU 481 Cb 0.44 -0.30 0.08 0.00 -1.62 0.00 0.00 43.42 42.02 2ww0 n LEU 481 CO 0.23 -0.03 0.20 0.29 -1.22 0.00 0.00 177.39 176.86 2ww0 n LYS 482 N -1.30 -7.22 -1.07 3.23 5.02 -0.21 -4.98 118.16 111.63 2ww0 n LYS 482 Ca 0.12 0.80 -0.29 0.00 -2.02 0.00 0.00 58.31 56.92 2ww0 n LYS 482 Cb 0.22 -5.73 0.17 0.00 -0.02 0.00 0.00 35.03 29.68 2ww0 n LYS 482 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2ww0 s ARG 483 N -5.95 0.59 0.39 1.97 1.81 -0.71 -4.95 118.95 112.11 2ww0 s ARG 483 Ca 0.38 0.74 -0.26 0.00 -1.72 0.00 0.00 55.73 54.88 2ww0 s ARG 483 Cb -0.17 -1.74 -0.11 0.00 -0.45 0.00 0.00 34.95 32.49 2ww0 s ARG 483 CO 0.70 -2.68 1.14 -2.30 -0.68 0.00 0.00 175.30 171.48 2ww0 n PRO 484 N -4.17 1.67 -0.26 3.54 -0.02 -1.26 -4.77 135.00 129.73 2ww0 n PRO 484 Ca 0.06 0.59 0.14 0.00 -2.02 0.00 0.00 63.50 62.27 2ww0 n PRO 484 Cb 0.56 -2.18 0.42 0.00 -0.02 0.00 0.00 33.50 32.28 2ww0 n PRO 484 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2ww0 h LYS 485 N 1.94 0.58 -0.66 -0.52 3.64 -1.98 -1.18 116.57 118.38 2ww0 h LYS 485 Ca -0.45 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 58.86 2ww0 h LYS 485 Cb 1.31 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 2ww0 h LYS 485 CO 0.59 0.38 0.30 0.87 -2.27 0.00 0.00 179.45 179.32 2ww0 h LYS 486 N 0.59 0.96 0.26 1.90 1.57 -1.98 0.18 116.57 120.05 2ww0 h LYS 486 Ca 0.45 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 2ww0 h LYS 486 Cb 0.86 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2ww0 h LYS 486 CO -0.20 0.77 -0.13 0.93 -0.57 0.00 0.00 179.45 180.26 2ww0 h GLU 487 N 0.91 -0.34 -0.83 3.15 5.08 -1.62 -2.25 114.58 118.68 2ww0 h GLU 487 Ca 0.22 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.65 2ww0 h GLU 487 Cb 0.14 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 2ww0 h GLU 487 CO -0.03 -0.11 0.53 0.82 -1.00 0.00 0.00 179.01 179.22 2ww0 h ILE 488 N -0.53 1.09 -0.10 3.13 2.04 -1.04 -1.09 117.51 121.02 2ww0 h ILE 488 Ca -0.04 -0.34 -0.08 0.00 1.00 0.00 0.00 64.86 65.40 2ww0 h ILE 488 Cb 0.39 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 2ww0 h ILE 488 CO 0.06 0.18 -0.30 0.28 0.00 0.00 0.00 178.15 178.38 2ww0 h SER 489 N 1.00 0.19 -0.39 1.72 0.02 -0.64 -1.92 113.55 113.53 2ww0 h SER 489 Ca 0.34 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.19 2ww0 h SER 489 Cb 0.07 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 2ww0 h SER 489 CO -0.14 0.49 0.07 0.25 -1.14 0.00 0.00 176.83 176.36 2ww0 h LEU 490 N 0.17 0.61 -0.14 5.07 5.85 -0.57 -0.66 115.31 125.64 2ww0 h LEU 490 Ca 0.02 -0.25 -0.22 0.00 0.84 0.00 0.00 57.88 58.27 2ww0 h LEU 490 Cb 0.62 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2ww0 h LEU 490 CO 0.04 0.71 -0.99 -0.26 -0.34 0.00 0.00 178.44 177.61 2ww0 h PHE 491 N 0.49 0.35 -0.85 1.25 0.04 -1.43 -1.83 116.94 114.95 2ww0 h PHE 491 Ca 0.12 -0.21 0.04 0.00 2.80 0.00 0.00 57.97 60.71 2ww0 h PHE 491 Cb 0.35 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.42 2ww0 h PHE 491 CO 0.02 1.07 0.56 0.00 -0.60 0.00 0.00 178.31 179.37 2ww0 h ALA 492 N 0.85 1.48 -0.25 2.45 0.00 -1.27 0.11 119.26 122.63 2ww0 h ALA 492 Ca -0.07 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2ww0 h ALA 492 Cb 1.66 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2ww0 h ALA 492 CO 0.15 0.43 -0.08 -0.22 0.00 0.00 0.00 179.25 179.54 2ww0 h LYS 493 N 1.05 0.49 0.00 0.00 3.64 -0.91 -3.18 116.57 117.67 2ww0 h LYS 493 Ca 0.34 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.43 2ww0 h LYS 493 Cb 0.05 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2ww0 h LYS 493 CO -0.10 0.73 -0.47 0.00 -2.27 0.00 0.00 179.45 177.33 2ww0 h ARG 494 N 0.23 0.00 0.00 1.90 3.08 -0.71 -1.85 114.38 117.03 2ww0 h ARG 494 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2ww0 h ARG 494 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2ww0 h ARG 494 CO 0.03 0.47 0.05 0.00 -1.07 0.00 0.00 179.97 179.46 2ww0 h ALA 495 N 1.53 1.05 -0.00 0.04 0.00 -0.78 -0.15 119.26 120.94 2ww0 h ALA 495 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ww0 h ALA 495 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2ww0 h ALA 495 CO 0.06 -0.05 -0.23 -1.33 0.00 0.00 0.00 179.25 177.70 2ww0 n MET 496 N -2.82 0.29 0.30 0.00 2.81 -0.70 -4.40 117.12 112.60 2ww0 n MET 496 Ca -0.02 -0.12 0.19 0.00 -1.81 0.00 0.00 57.70 55.94 2ww0 n MET 496 Cb 0.11 -1.50 1.01 0.00 -0.71 0.00 0.00 33.22 32.13 2ww0 n MET 496 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2ww0 h ASN 497 N 0.29 0.00 -0.14 7.83 2.35 -1.16 -1.24 115.58 123.52 2ww0 h ASN 497 Ca 0.00 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 2ww0 h ASN 497 Cb 0.46 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 2ww0 h ASN 497 CO 0.00 0.00 0.20 0.10 -1.65 0.00 0.00 177.43 176.08 2ww0 h TYR 498 N 0.00 0.00 -0.01 1.19 -0.00 -1.82 0.13 116.97 116.46 2ww0 h TYR 498 Ca 0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.69 2ww0 h TYR 498 Cb 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.92 2ww0 h TYR 498 CO 0.00 0.00 -0.27 0.87 -0.00 0.00 0.00 178.16 178.76 2ww0 h LYS 499 N 0.00 0.02 0.00 0.10 1.57 -1.58 -2.95 116.57 113.73 2ww0 h LYS 499 Ca 0.06 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2ww0 h LYS 499 Cb 0.47 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2ww0 h LYS 499 CO -0.00 0.29 0.00 0.09 -0.57 0.00 0.00 179.45 179.26 2ww0 n ASN 500 N -4.21 0.57 -0.48 0.86 3.02 0.45 -2.02 115.26 113.45 2ww0 n ASN 500 Ca -0.02 0.69 0.04 0.00 -0.03 0.00 0.00 54.58 55.26 2ww0 n ASN 500 Cb 0.33 -0.79 0.11 0.00 -0.61 0.00 0.00 39.78 38.81 2ww0 n ASN 500 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2ww0 n LEU 501 N -2.18 2.55 -4.73 3.41 4.77 -1.11 -4.97 117.00 114.73 2ww0 n LEU 501 Ca 0.01 -1.80 -0.40 0.00 -0.03 0.00 0.00 56.01 53.78 2ww0 n LEU 501 Cb 0.14 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 2ww0 n LEU 501 CO 0.15 0.62 0.47 0.12 -1.33 0.00 0.00 177.39 177.41 2ww0 s PHE 502 N -0.95 3.66 -0.24 -1.77 5.36 -0.85 -0.42 117.98 122.76 2ww0 s PHE 502 Ca 0.17 1.41 -0.08 0.00 -0.96 0.00 0.00 56.93 57.47 2ww0 s PHE 502 Cb 0.09 -2.86 -0.03 0.00 -0.34 0.00 0.00 43.02 39.88 2ww0 s PHE 502 CO 0.12 0.15 0.09 0.34 -1.46 0.00 0.00 175.22 174.46 2ww0 s ASP 503 N 0.46 5.38 0.13 6.13 -1.08 -0.22 -4.94 116.67 122.54 2ww0 s ASP 503 Ca 0.40 -0.11 -0.12 0.00 -0.52 0.00 0.00 52.55 52.20 2ww0 s ASP 503 Cb -0.19 -1.96 -0.06 0.00 -1.46 0.00 0.00 42.92 39.25 2ww0 s ASP 503 CO 0.22 0.01 1.46 0.07 0.52 0.00 0.00 175.17 177.44 2ww0 h LYS 504 N 7.90 0.89 -0.07 4.34 2.10 -1.93 0.10 116.57 129.91 2ww0 h LYS 504 Ca -0.37 -0.48 -0.00 0.00 -2.00 0.00 0.00 60.65 57.79 2ww0 h LYS 504 Cb 1.18 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2ww0 h LYS 504 CO 0.60 1.13 0.02 1.05 -2.00 0.00 0.00 179.45 180.25 2ww0 h GLU 505 N 0.69 0.10 0.00 0.07 9.09 -1.96 -3.17 114.58 119.40 2ww0 h GLU 505 Ca 0.05 -0.02 -0.19 0.00 0.05 0.00 0.00 59.36 59.26 2ww0 h GLU 505 Cb 0.98 -0.02 -0.03 0.00 -1.65 0.00 0.00 28.75 28.03 2ww0 h GLU 505 CO 0.09 0.24 -0.92 0.66 0.05 0.00 0.00 179.01 179.14 2ww0 h SER 506 N -0.06 0.00 -0.26 3.06 4.64 -1.99 -3.47 113.55 115.46 2ww0 h SER 506 Ca 0.02 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.24 2ww0 h SER 506 Cb 0.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.23 2ww0 h SER 506 CO -0.00 0.88 -0.09 0.29 -0.87 0.00 0.00 176.83 177.03 2ww0 n LYS 507 N -3.30 -0.35 -4.27 4.77 5.02 0.34 -5.02 118.16 115.35 2ww0 n LYS 507 Ca -0.00 0.65 -0.19 0.00 -2.02 0.00 0.00 58.31 56.75 2ww0 n LYS 507 Cb 0.90 -4.36 -0.11 0.00 -0.02 0.00 0.00 35.03 31.43 2ww0 n LYS 507 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ww0 s LEU 508 N -1.15 2.44 0.45 -0.35 1.43 -1.17 -4.93 118.68 115.41 2ww0 s LEU 508 Ca 0.00 -0.86 -0.23 0.00 -1.03 0.00 0.00 54.13 52.01 2ww0 s LEU 508 Cb 0.00 -0.61 -0.07 0.00 0.03 0.00 0.00 46.19 45.54 2ww0 s LEU 508 CO 0.00 -0.14 1.19 -0.04 0.23 0.00 0.00 176.35 177.59 2ww0 s MET 509 N -2.88 3.79 -0.09 1.70 -1.94 -1.26 -1.05 119.30 117.56 2ww0 s MET 509 Ca 0.12 1.84 -0.20 0.00 -1.71 0.00 0.00 55.69 55.74 2ww0 s MET 509 Cb -0.04 -2.47 0.04 0.00 2.01 0.00 0.00 34.83 34.38 2ww0 s MET 509 CO 0.04 -0.55 0.48 0.50 -0.01 0.00 0.00 175.02 175.48 2ww0 s ARG 510 N -2.61 0.73 0.35 2.03 3.52 0.44 -4.81 118.95 118.60 2ww0 s ARG 510 Ca 0.62 0.27 -0.29 0.00 -0.13 0.00 0.00 55.73 56.21 2ww0 s ARG 510 Cb -0.30 0.34 -0.11 0.00 -1.56 0.00 0.00 34.95 33.32 2ww0 s ARG 510 CO 0.37 -0.17 1.51 0.20 -0.81 0.00 0.00 175.30 176.40 2ww0 s GLY 511 N -0.66 2.71 -0.03 8.12 0.00 -1.26 -4.76 107.32 111.44 2ww0 s GLY 511 Ca -0.08 1.57 0.04 0.00 0.00 0.00 0.00 44.72 46.26 2ww0 s GLY 511 CO 0.04 2.34 -0.16 -1.60 0.00 0.00 0.00 173.10 173.72 2ww0 s ARG 512 N -1.65 1.54 0.76 2.90 3.52 -1.26 -0.78 118.95 123.98 2ww0 s ARG 512 Ca 0.56 -0.56 -0.11 0.00 -0.13 0.00 0.00 55.73 55.48 2ww0 s ARG 512 Cb -0.47 -1.39 0.05 0.00 -1.56 0.00 0.00 34.95 31.58 2ww0 s ARG 512 CO 0.59 0.26 1.10 -0.80 -0.81 0.00 0.00 175.30 175.64 2ww0 s ASN 513 N -0.07 4.84 0.31 -2.12 0.01 0.12 0.19 114.94 118.22 2ww0 s ASN 513 Ca -0.01 1.26 0.00 0.00 -0.71 0.00 0.00 52.86 53.40 2ww0 s ASN 513 Cb -0.10 -2.01 0.49 0.00 0.41 0.00 0.00 41.25 40.04 2ww0 s ASN 513 CO 0.01 -1.74 1.89 -0.08 -1.51 0.00 0.00 177.10 175.67 2ww0 h GLU 514 N -0.93 0.81 0.00 -0.60 4.81 -1.91 -0.96 114.58 115.80 2ww0 h GLU 514 Ca -0.46 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 2ww0 h GLU 514 Cb 1.26 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2ww0 h GLU 514 CO 0.61 0.67 0.00 -0.40 -0.73 0.00 0.00 179.01 179.16 2ww0 n ASP 515 N -4.33 0.00 0.00 1.04 5.68 -1.26 -4.85 116.55 112.83 2ww0 n ASP 515 Ca 0.05 0.32 0.00 0.00 -0.50 0.00 0.00 54.79 54.66 2ww0 n ASP 515 Cb 0.17 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 39.73 2ww0 n ASP 515 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ww0 n GLY 516 N 0.07 0.33 3.77 6.12 0.00 -0.37 -5.07 105.19 110.05 2ww0 n GLY 516 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 2ww0 n GLY 516 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ww0 s THR 517 N -2.06 3.86 0.55 2.61 -4.23 -1.26 -4.75 115.64 110.36 2ww0 s THR 517 Ca 0.00 1.66 -0.19 0.00 -1.18 0.00 0.00 61.69 61.98 2ww0 s THR 517 Cb 0.00 -3.97 -0.05 0.00 1.34 0.00 0.00 72.50 69.81 2ww0 s THR 517 CO 0.00 0.23 1.11 -0.36 -0.54 0.00 0.00 174.62 175.06 2ww0 s PHE 518 N -1.42 2.74 0.35 3.99 0.08 -1.26 0.14 117.98 122.59 2ww0 s PHE 518 Ca 0.49 1.55 -0.26 0.00 0.12 0.00 0.00 56.93 58.82 2ww0 s PHE 518 Cb -0.24 -3.22 -0.09 0.00 -0.57 0.00 0.00 43.02 38.89 2ww0 s PHE 518 CO 0.31 -1.44 1.10 -1.14 -0.10 0.00 0.00 175.22 173.96 2ww0 s GLN 519 N -3.42 4.32 0.43 0.44 -0.44 0.04 -4.75 119.66 116.28 2ww0 s GLN 519 Ca 0.71 1.72 0.04 0.00 -2.50 0.00 0.00 55.36 55.33 2ww0 s GLN 519 Cb -0.22 -2.83 -0.05 0.00 -1.64 0.00 0.00 33.01 28.27 2ww0 s GLN 519 CO 0.28 -0.06 0.03 -1.12 0.50 0.00 0.00 175.29 174.92 2ww0 s SER 520 N -1.17 3.59 0.08 6.67 0.01 -1.26 -4.21 113.70 117.41 2ww0 s SER 520 Ca 0.52 -1.51 -0.08 0.00 1.31 0.00 0.00 55.95 56.19 2ww0 s SER 520 Cb -0.28 0.09 -0.05 0.00 0.21 0.00 0.00 66.02 65.98 2ww0 s SER 520 CO 0.36 -0.68 0.13 -0.81 0.41 0.00 0.00 173.24 172.65 2ww0 n PRO 521 N -1.02 0.00 -3.76 12.44 -0.04 -1.26 -5.08 135.00 136.28 2ww0 n PRO 521 Ca -0.10 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.99 2ww0 n PRO 521 Cb 0.67 -0.32 -0.13 0.00 -0.04 0.00 0.00 33.50 33.68 2ww0 n PRO 521 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2ww0 s PHE 522 N -0.38 3.13 -0.40 0.54 5.36 -1.26 -5.06 117.98 119.92 2ww0 s PHE 522 Ca 0.20 -0.87 -0.06 0.00 -0.96 0.00 0.00 56.93 55.25 2ww0 s PHE 522 Cb -0.27 -2.25 0.09 0.00 -0.34 0.00 0.00 43.02 40.24 2ww0 s PHE 522 CO 0.19 -0.54 0.20 -1.12 -1.46 0.00 0.00 175.22 172.49 2ww0 s SER 523 N 1.52 5.39 0.55 6.13 0.01 -1.26 -4.93 113.70 121.12 2ww0 s SER 523 Ca 0.03 -1.65 0.28 0.00 1.31 0.00 0.00 55.95 55.92 2ww0 s SER 523 Cb -0.17 -1.89 1.62 0.00 0.21 0.00 0.00 66.02 65.79 2ww0 s SER 523 CO 0.03 -0.50 2.17 -0.65 0.41 0.00 0.00 173.24 174.69 2ww0 h PRO 524 N 8.22 0.00 -0.20 12.44 0.11 -1.97 -1.65 132.00 148.94 2ww0 h PRO 524 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2ww0 h PRO 524 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2ww0 h PRO 524 CO 0.70 0.06 0.00 1.28 -0.21 0.00 0.00 178.00 179.83 2ww0 n LEU 525 N -3.80 2.10 -4.73 2.35 4.77 -1.26 -2.60 117.00 113.83 2ww0 n LEU 525 Ca -0.02 -0.87 -0.41 0.00 -0.03 0.00 0.00 56.01 54.68 2ww0 n LEU 525 Cb 0.15 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 2ww0 n LEU 525 CO 0.29 0.44 0.62 -0.75 -1.33 0.00 0.00 177.39 176.66 2ww0 s LYS 526 N -1.75 4.64 0.13 3.23 2.20 -0.62 -1.99 119.74 125.58 2ww0 s LYS 526 Ca 0.34 1.36 -0.08 0.00 -0.36 0.00 0.00 55.97 57.23 2ww0 s LYS 526 Cb 0.19 -3.38 -0.06 0.00 -1.51 0.00 0.00 37.83 33.07 2ww0 s LYS 526 CO 0.28 0.21 0.42 -1.58 -0.36 0.00 0.00 175.35 174.31 2ww0 s TRP 527 N 0.07 3.51 0.00 4.03 0.52 -0.74 -4.14 118.94 122.20 2ww0 s TRP 527 Ca 0.45 0.71 0.00 0.00 0.02 0.00 0.00 56.10 57.28 2ww0 s TRP 527 Cb -0.22 -2.12 0.00 0.00 -1.15 0.00 0.00 33.47 29.98 2ww0 s TRP 527 CO 0.28 0.44 0.00 0.41 0.02 0.00 0.00 176.95 178.10 2ww0 n GLY 528 N 0.40 -0.82 7.00 0.98 0.00 -0.62 -4.55 105.19 107.58 2ww0 n GLY 528 Ca -0.04 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2ww0 n GLY 528 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ww0 n ASP 529 N -0.03 0.00 0.26 1.61 -0.08 -1.26 -0.86 116.55 116.19 2ww0 n ASP 529 Ca 0.00 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.43 2ww0 n ASP 529 Cb 0.00 0.00 0.62 0.00 2.34 0.00 0.00 41.12 44.08 2ww0 n ASP 529 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ww0 h ALA 530 N -0.60 1.01 -0.75 -1.67 0.00 -1.92 1.34 119.26 116.67 2ww0 h ALA 530 Ca 0.00 -0.05 -0.64 0.00 0.00 0.00 0.00 54.91 54.21 2ww0 h ALA 530 Cb 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.65 2ww0 h ALA 530 CO 0.00 0.07 -0.51 -0.06 0.00 0.00 0.00 179.25 178.75 2ww0 s PHE 531 N -3.67 1.83 -0.23 0.00 0.08 -0.04 -0.56 117.98 115.39 2ww0 s PHE 531 Ca 0.01 -1.08 -0.01 0.00 0.12 0.00 0.00 56.93 55.98 2ww0 s PHE 531 Cb 0.09 -1.46 0.03 0.00 -0.57 0.00 0.00 43.02 41.11 2ww0 s PHE 531 CO 0.57 0.05 -0.10 0.95 -0.10 0.00 0.00 175.22 176.59 2ww0 s THR 532 N -2.98 2.63 -1.34 0.64 -4.23 -1.26 -3.94 115.64 105.15 2ww0 s THR 532 Ca 0.11 -1.07 -0.01 0.00 -1.18 0.00 0.00 61.69 59.53 2ww0 s THR 532 Cb 0.02 -2.31 -0.00 0.00 1.34 0.00 0.00 72.50 71.54 2ww0 s THR 532 CO 0.07 0.25 0.58 -0.62 -0.54 0.00 0.00 174.62 174.35 2ww0 n GLU 533 N 4.63 -3.93 0.00 3.99 1.02 -1.26 -4.84 120.64 120.25 2ww0 n GLU 533 Ca -0.17 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 2ww0 n GLU 533 Cb 0.47 -4.83 0.00 0.00 -0.02 0.00 0.00 31.44 27.06 2ww0 n GLU 533 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ww0 n GLY 534 N -1.76 -0.29 3.06 0.62 0.00 -1.26 -4.92 105.19 100.64 2ww0 n GLY 534 Ca -0.29 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.51 2ww0 n GLY 534 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ww0 n ASN 535 N 0.00 2.35 -0.24 1.61 0.23 -1.26 -1.58 115.26 116.36 2ww0 n ASN 535 Ca 0.00 -2.92 0.19 0.00 -0.53 0.00 0.00 54.58 51.32 2ww0 n ASN 535 Cb 0.00 0.56 0.51 0.00 -2.08 0.00 0.00 39.78 38.77 2ww0 n ASN 535 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 2ww0 h SER 536 N 1.21 0.41 0.40 0.53 0.87 -1.68 0.20 113.55 115.50 2ww0 h SER 536 Ca -0.33 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.25 2ww0 h SER 536 Cb 1.09 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2ww0 h SER 536 CO 0.53 0.17 -0.10 -0.50 -0.53 0.00 0.00 176.83 176.40 2ww0 h TRP 537 N 0.41 0.00 0.08 2.24 4.06 -1.93 -1.31 115.95 119.50 2ww0 h TRP 537 Ca 0.47 0.00 -0.37 0.00 2.06 0.00 0.00 58.89 61.05 2ww0 h TRP 537 Cb 1.15 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.28 2ww0 h TRP 537 CO -0.00 0.10 -2.16 0.72 -3.56 0.00 0.00 178.44 173.54 2ww0 n HIS 538 N -3.55 0.78 0.16 0.49 8.25 0.60 -4.51 115.22 117.43 2ww0 n HIS 538 Ca -0.02 0.17 0.05 0.00 -0.26 0.00 0.00 57.72 57.66 2ww0 n HIS 538 Cb 0.23 -1.10 0.08 0.00 1.12 0.00 0.00 29.99 30.32 2ww0 n HIS 538 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 2ww0 h TYR 539 N -0.00 0.00 -0.28 4.41 -1.99 -1.20 -3.30 116.97 114.61 2ww0 h TYR 539 Ca -0.48 0.00 0.08 0.00 2.00 0.00 0.00 58.73 60.33 2ww0 h TYR 539 Cb 1.96 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.68 2ww0 h TYR 539 CO 0.06 0.40 0.30 1.15 -0.00 0.00 0.00 178.16 180.07 2ww0 h THR 540 N 0.00 0.45 -0.04 -2.88 2.02 -1.47 0.49 112.91 111.48 2ww0 h THR 540 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2ww0 h THR 540 Cb 1.28 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 2ww0 h THR 540 CO 0.05 0.00 0.00 0.79 0.37 0.00 0.00 175.52 176.73 2ww0 n TRP 541 N -3.80 0.04 -1.78 3.16 7.02 -1.24 -4.59 117.44 116.25 2ww0 n TRP 541 Ca 0.04 -0.02 -0.41 0.00 -1.02 0.00 0.00 57.50 56.08 2ww0 n TRP 541 Cb 0.45 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.33 2ww0 n TRP 541 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2ww0 n SER 542 N -0.47 5.37 -3.12 -0.99 7.64 0.16 -4.45 113.62 117.75 2ww0 n SER 542 Ca 0.18 -2.86 -0.20 0.00 1.01 0.00 0.00 58.87 57.00 2ww0 n SER 542 Cb 0.17 -1.58 -0.03 0.00 -1.01 0.00 0.00 64.21 61.76 2ww0 n SER 542 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2ww0 n VAL 543 N 4.22 0.64 -0.32 0.44 0.31 -1.26 -4.75 118.33 117.60 2ww0 n VAL 543 Ca 0.56 -4.81 0.11 0.00 -0.01 0.00 0.00 64.34 60.18 2ww0 n VAL 543 Cb 0.34 -0.53 0.28 0.00 -0.91 0.00 0.00 33.84 33.03 2ww0 n VAL 543 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2ww0 h PHE 544 N 2.99 0.90 0.00 3.52 -1.00 -1.89 -1.51 116.94 119.95 2ww0 h PHE 544 Ca 0.11 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.92 2ww0 h PHE 544 Cb 0.86 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 40.16 2ww0 h PHE 544 CO 0.55 0.18 -0.19 -2.39 -1.61 0.00 0.00 178.31 174.85 2ww0 n HIS 545 N -4.84 0.21 -3.02 -0.55 1.44 -1.26 -4.41 115.22 102.79 2ww0 n HIS 545 Ca 0.21 0.06 -0.15 0.00 -2.01 0.00 0.00 57.72 55.83 2ww0 n HIS 545 Cb 0.53 -0.52 0.01 0.00 0.12 0.00 0.00 29.99 30.12 2ww0 n HIS 545 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2ww0 n ASP 546 N -1.68 0.18 -0.25 4.39 2.03 -0.58 0.13 116.55 120.77 2ww0 n ASP 546 Ca 0.06 -3.09 -0.01 0.00 0.52 0.00 0.00 54.79 52.28 2ww0 n ASP 546 Cb 0.36 -0.05 0.11 0.00 -0.72 0.00 0.00 41.12 40.83 2ww0 n ASP 546 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2ww0 h PRO 547 N 2.96 0.72 -0.79 -0.67 0.11 -1.74 -1.40 132.00 131.19 2ww0 h PRO 547 Ca 0.02 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.12 2ww0 h PRO 547 Cb 1.03 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 31.93 2ww0 h PRO 547 CO 0.41 0.48 0.50 0.37 -0.21 0.00 0.00 178.00 179.55 2ww0 h GLN 548 N 0.74 0.95 -0.98 1.05 5.75 -1.91 0.25 115.11 120.97 2ww0 h GLN 548 Ca 0.32 -0.06 0.15 0.00 -0.15 0.00 0.00 58.65 58.92 2ww0 h GLN 548 Cb 0.21 -0.21 -0.09 0.00 1.07 0.00 0.00 27.48 28.45 2ww0 h GLN 548 CO -0.19 0.63 0.59 0.78 -2.65 0.00 0.00 178.83 177.99 2ww0 h GLY 549 N 0.98 1.65 0.93 2.39 0.00 -1.67 0.34 103.07 107.68 2ww0 h GLY 549 Ca 0.32 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 47.16 2ww0 h GLY 549 CO -0.11 0.05 -0.29 -2.00 0.00 0.00 0.00 176.54 174.19 2ww0 h LEU 550 N 0.86 0.68 -0.78 3.11 5.85 -0.23 -1.91 115.31 122.90 2ww0 h LEU 550 Ca 0.52 -0.49 0.09 0.00 0.84 0.00 0.00 57.88 58.84 2ww0 h LEU 550 Cb 0.65 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.42 2ww0 h LEU 550 CO -0.32 1.04 0.43 0.40 -0.34 0.00 0.00 178.44 179.64 2ww0 h ILE 551 N 0.34 0.90 -0.17 4.05 2.04 0.60 -2.05 117.51 123.21 2ww0 h ILE 551 Ca 0.03 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 2ww0 h ILE 551 Cb 0.86 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2ww0 h ILE 551 CO 0.07 0.13 0.06 0.44 0.00 0.00 0.00 178.15 178.86 2ww0 h ASP 552 N 0.73 0.25 -0.08 1.72 3.32 -0.04 -2.26 116.42 120.05 2ww0 h ASP 552 Ca 0.37 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 57.27 2ww0 h ASP 552 Cb 0.34 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 2ww0 h ASP 552 CO -0.24 0.36 0.06 -0.07 -1.72 0.00 0.00 179.24 177.62 2ww0 h LEU 553 N 0.12 0.00 0.00 1.55 3.38 -0.78 -0.44 115.31 119.14 2ww0 h LEU 553 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2ww0 h LEU 553 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2ww0 h LEU 553 CO -0.00 0.00 -0.01 0.23 0.09 0.00 0.00 178.44 178.75 2ww0 n MET 554 N -4.43 0.05 -0.18 1.13 2.81 -0.83 -4.93 117.12 110.74 2ww0 n MET 554 Ca -0.01 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 2ww0 n MET 554 Cb 0.17 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 2ww0 n MET 554 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ww0 n GLY 555 N 1.46 0.65 0.00 3.03 0.00 -0.17 -4.66 105.19 105.50 2ww0 n GLY 555 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2ww0 n GLY 555 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww0 n GLY 556 N -0.07 -0.22 0.32 -0.02 0.00 -0.87 -4.38 105.19 99.95 2ww0 n GLY 556 Ca 0.00 -1.71 -0.05 0.00 0.00 0.00 0.00 46.02 44.26 2ww0 n GLY 556 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ww0 h LYS 557 N 0.00 1.11 -0.35 1.61 2.10 -1.93 -2.25 116.57 116.87 2ww0 h LYS 557 Ca 0.00 -0.15 0.07 0.00 -2.00 0.00 0.00 60.65 58.57 2ww0 h LYS 557 Cb 0.00 -0.21 -0.06 0.00 -0.90 0.00 0.00 32.23 31.06 2ww0 h LYS 557 CO 0.00 0.84 -0.02 0.93 -2.00 0.00 0.00 179.45 179.20 2ww0 h GLU 558 N 1.10 0.07 -0.18 0.07 3.07 -1.91 0.32 114.58 117.13 2ww0 h GLU 558 Ca 0.27 -0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.04 2ww0 h GLU 558 Cb 0.07 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 2ww0 h GLU 558 CO -0.04 0.04 -0.27 0.52 -1.40 0.00 0.00 179.01 177.87 2ww0 h MET 559 N 0.07 0.33 0.04 2.33 2.86 -1.71 -1.09 114.93 117.76 2ww0 h MET 559 Ca 0.17 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2ww0 h MET 559 Cb 0.24 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2ww0 h MET 559 CO -0.31 0.58 -0.02 0.35 1.06 0.00 0.00 176.91 178.57 2ww0 h PHE 560 N 0.29 -0.05 -0.85 -0.22 3.04 -0.58 -0.89 116.94 117.69 2ww0 h PHE 560 Ca 0.04 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.98 2ww0 h PHE 560 Cb 0.63 0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.12 2ww0 h PHE 560 CO 0.01 0.14 0.46 0.28 -2.02 0.00 0.00 178.31 177.18 2ww0 h VAL 561 N -0.23 1.25 -0.74 1.41 2.07 -0.17 -0.84 116.25 119.00 2ww0 h VAL 561 Ca -0.01 -0.62 0.07 0.00 0.82 0.00 0.00 66.70 66.96 2ww0 h VAL 561 Cb 0.21 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.02 2ww0 h VAL 561 CO 0.01 0.28 0.42 0.74 0.02 0.00 0.00 177.57 179.04 2ww0 h THR 562 N 1.18 0.97 -0.28 2.57 2.02 -1.00 -0.53 112.91 117.85 2ww0 h THR 562 Ca 0.30 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 2ww0 h THR 562 Cb 0.03 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 2ww0 h THR 562 CO -0.05 0.14 0.09 -0.03 0.37 0.00 0.00 175.52 176.04 2ww0 h MET 563 N 0.76 0.43 -0.04 6.66 -1.53 -0.18 -2.70 114.93 118.33 2ww0 h MET 563 Ca 0.33 -0.09 0.02 0.00 -3.44 0.00 0.00 59.70 56.53 2ww0 h MET 563 Cb 0.22 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.19 2ww0 h MET 563 CO -0.20 0.48 -0.07 0.52 0.14 0.00 0.00 176.91 177.78 2ww0 h MET 564 N 0.29 -0.10 -0.72 0.39 2.86 -0.84 -3.02 114.93 113.78 2ww0 h MET 564 Ca 0.09 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.86 2ww0 h MET 564 Cb 0.23 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.86 2ww0 h MET 564 CO -0.00 -0.07 0.48 -0.44 1.06 0.00 0.00 176.91 177.94 2ww0 h ASP 565 N -0.10 0.47 1.04 1.22 3.32 -0.95 0.18 116.42 121.59 2ww0 h ASP 565 Ca 0.04 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2ww0 h ASP 565 Cb 0.16 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2ww0 h ASP 565 CO -0.10 0.26 0.00 -1.54 -1.72 0.00 0.00 179.24 176.14 2ww0 n SER 566 N -4.49 0.47 -0.22 6.45 3.41 -1.03 -1.80 113.62 116.41 2ww0 n SER 566 Ca 0.13 0.57 -0.07 0.00 -0.26 0.00 0.00 58.87 59.24 2ww0 n SER 566 Cb 0.43 -0.69 0.04 0.00 -0.26 0.00 0.00 64.21 63.73 2ww0 n SER 566 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2ww0 h VAL 567 N 0.00 1.20 0.00 -3.33 2.07 -0.65 -2.34 116.25 113.21 2ww0 h VAL 567 Ca 0.00 -0.53 -0.19 0.00 0.82 0.00 0.00 66.70 66.79 2ww0 h VAL 567 Cb 0.52 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2ww0 h VAL 567 CO 0.00 0.23 -0.92 -0.26 0.02 0.00 0.00 177.57 176.64 2ww0 h PHE 568 N 0.85 0.00 0.00 1.57 0.04 -1.52 0.27 116.94 118.15 2ww0 h PHE 568 Ca 0.22 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.83 2ww0 h PHE 568 Cb 0.06 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 2ww0 h PHE 568 CO -0.01 0.91 -0.76 0.00 -0.60 0.00 0.00 178.31 177.85 2ww0 h ALA 569 N 1.09 0.61 -2.51 2.45 0.00 -1.10 -3.17 119.26 116.63 2ww0 h ALA 569 Ca -0.01 -0.69 -0.53 0.00 0.00 0.00 0.00 54.91 53.68 2ww0 h ALA 569 Cb 1.70 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 2ww0 h ALA 569 CO 0.12 0.95 0.02 0.14 0.00 0.00 0.00 179.25 180.48 2ww0 s VAL 570 N -3.03 4.72 0.82 0.00 -7.23 -0.90 -4.95 120.40 109.83 2ww0 s VAL 570 Ca 0.01 0.99 -0.13 0.00 -1.81 0.00 0.00 61.98 61.04 2ww0 s VAL 570 Cb 0.10 -3.75 0.08 0.00 0.56 0.00 0.00 36.38 33.37 2ww0 s VAL 570 CO 0.78 0.12 1.11 -0.81 -0.31 0.00 0.00 175.10 175.99 2ww0 n PRO 571 N 0.46 0.11 -1.29 4.82 -0.04 -1.26 -3.83 135.00 133.96 2ww0 n PRO 571 Ca -0.02 0.11 -0.37 0.00 -0.04 0.00 0.00 63.50 63.18 2ww0 n PRO 571 Cb 0.52 -2.36 -0.04 0.00 -0.04 0.00 0.00 33.50 31.57 2ww0 n PRO 571 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2ww0 n PRO 572 N -3.11 3.58 -2.41 0.54 -0.04 -1.26 -4.63 135.00 127.67 2ww0 n PRO 572 Ca 0.13 -2.12 -0.30 0.00 -0.04 0.00 0.00 63.50 61.17 2ww0 n PRO 572 Cb 0.51 -2.73 -0.01 0.00 -0.04 0.00 0.00 33.50 31.22 2ww0 n PRO 572 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2ww0 s ILE 573 N 2.02 4.76 0.16 0.52 1.10 -1.26 -4.78 121.20 123.73 2ww0 s ILE 573 Ca 0.70 0.66 -0.24 0.00 -0.51 0.00 0.00 60.65 61.25 2ww0 s ILE 573 Cb 0.19 -3.82 0.06 0.00 0.15 0.00 0.00 42.46 39.05 2ww0 s ILE 573 CO -0.06 -0.84 0.76 0.72 -2.11 0.00 0.00 174.94 173.41 2ww0 s PHE 574 N -2.78 -0.33 -0.23 3.50 -0.12 -1.26 -4.98 117.98 111.78 2ww0 s PHE 574 Ca 0.52 0.05 -0.01 0.00 -0.05 0.00 0.00 56.93 57.44 2ww0 s PHE 574 Cb -0.10 0.61 0.07 0.00 -0.63 0.00 0.00 43.02 42.96 2ww0 s PHE 574 CO 0.43 -0.89 0.01 0.34 -0.05 0.00 0.00 175.22 175.06 2ww0 s ASP 575 N -2.78 3.53 -0.10 1.98 -1.08 -0.84 -4.98 116.67 112.40 2ww0 s ASP 575 Ca 0.07 -1.13 0.18 0.00 -0.52 0.00 0.00 52.55 51.15 2ww0 s ASP 575 Cb -0.02 -0.91 0.68 0.00 -1.46 0.00 0.00 42.92 41.21 2ww0 s ASP 575 CO -0.04 -0.30 1.59 -0.90 0.52 0.00 0.00 175.17 176.04 2ww0 n ASP 576 N 4.84 4.53 -0.32 -0.34 5.75 -1.26 -1.80 116.55 127.95 2ww0 n ASP 576 Ca -0.09 -2.40 0.28 0.00 -0.01 0.00 0.00 54.79 52.58 2ww0 n ASP 576 Cb 0.45 -0.55 0.61 0.00 -1.03 0.00 0.00 41.12 40.60 2ww0 n ASP 576 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2ww0 h SER 577 N 3.88 0.26 1.16 -1.12 4.64 -1.93 0.32 113.55 120.76 2ww0 h SER 577 Ca 0.00 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2ww0 h SER 577 Cb 1.36 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2ww0 h SER 577 CO 0.19 0.04 -0.03 0.22 -0.87 0.00 0.00 176.83 176.38 2ww0 h TYR 578 N 0.22 0.00 0.00 4.77 3.20 -1.82 -3.06 116.97 120.28 2ww0 h TYR 578 Ca 0.59 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.46 2ww0 h TYR 578 Cb 1.85 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.12 2ww0 h TYR 578 CO -0.00 0.03 -1.02 0.66 -1.64 0.00 0.00 178.16 176.19 2ww0 n TYR 579 N -3.13 0.00 0.00 -3.82 4.01 0.10 -4.98 117.16 109.34 2ww0 n TYR 579 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2ww0 n TYR 579 Cb 0.36 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 2ww0 n TYR 579 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ww0 n GLY 580 N 1.53 2.26 3.21 2.72 0.00 -0.45 -4.90 105.19 109.55 2ww0 n GLY 580 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2ww0 n GLY 580 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ww0 s GLN 581 N 0.00 0.97 -1.22 1.61 -2.07 -1.26 -4.99 119.66 112.70 2ww0 s GLN 581 Ca 0.00 -1.43 -0.20 0.00 -1.82 0.00 0.00 55.36 51.91 2ww0 s GLN 581 Cb 0.00 -0.25 0.02 0.00 -1.09 0.00 0.00 33.01 31.69 2ww0 s GLN 581 CO 0.00 -0.06 1.77 0.08 -1.32 0.00 0.00 175.29 175.75 2ww0 s VAL 582 N -3.62 3.92 0.79 3.63 1.01 -1.26 -4.94 120.40 119.92 2ww0 s VAL 582 Ca 0.18 -1.46 -0.15 0.00 0.00 0.00 0.00 61.98 60.55 2ww0 s VAL 582 Cb 0.05 -4.97 0.03 0.00 0.00 0.00 0.00 36.38 31.50 2ww0 s VAL 582 CO -0.01 -1.70 0.90 2.30 0.00 0.00 0.00 175.10 176.59 2ww0 n ILE 583 N 6.89 1.93 -0.26 2.22 -5.35 -1.26 -4.58 119.36 118.96 2ww0 n ILE 583 Ca 0.46 -0.29 0.14 0.00 -0.27 0.00 0.00 62.75 62.79 2ww0 n ILE 583 Cb 0.47 -1.00 0.42 0.00 -1.74 0.00 0.00 39.64 37.78 2ww0 n ILE 583 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 2ww0 h HIS 584 N -0.70 0.74 0.00 4.28 2.07 -1.78 -0.02 115.15 119.73 2ww0 h HIS 584 Ca -0.46 0.02 -0.03 0.00 -2.85 0.00 0.00 60.37 57.05 2ww0 h HIS 584 Cb 1.32 -0.23 -0.00 0.00 2.57 0.00 0.00 27.41 31.06 2ww0 h HIS 584 CO 0.41 0.25 -0.15 1.05 -3.07 0.00 0.00 177.93 176.43 2ww0 h GLU 585 N 0.61 0.00 0.02 5.12 9.09 -1.88 0.65 114.58 128.19 2ww0 h GLU 585 Ca 0.45 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.76 2ww0 h GLU 585 Cb 0.84 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.95 2ww0 h GLU 585 CO -0.20 0.15 -0.42 0.82 0.05 0.00 0.00 179.01 179.40 2ww0 h ILE 586 N 0.00 1.53 -0.42 -1.06 2.04 -1.33 -3.08 117.51 115.18 2ww0 h ILE 586 Ca -0.00 -2.11 0.07 0.00 1.00 0.00 0.00 64.86 63.82 2ww0 h ILE 586 Cb 0.65 2.83 -0.06 0.00 -0.74 0.00 0.00 36.82 39.50 2ww0 h ILE 586 CO 0.02 0.59 0.08 -0.09 0.00 0.00 0.00 178.15 178.74 2ww0 h ARG 587 N -0.40 0.20 -0.69 2.37 9.65 -1.04 -1.12 114.38 123.34 2ww0 h ARG 587 Ca -0.06 -0.01 0.11 0.00 -1.10 0.00 0.00 59.98 58.92 2ww0 h ARG 587 Cb 1.20 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.69 2ww0 h ARG 587 CO 0.08 0.13 0.46 0.93 2.80 0.00 0.00 179.97 184.37 2ww0 h GLU 588 N 0.20 0.47 -0.15 0.20 5.08 -0.95 -0.67 114.58 118.77 2ww0 h GLU 588 Ca 0.21 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.39 2ww0 h GLU 588 Cb 0.26 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2ww0 h GLU 588 CO -0.28 0.31 -0.47 1.98 -1.00 0.00 0.00 179.01 179.55 2ww0 h MET 589 N 0.48 0.58 -0.88 2.33 4.05 -1.15 -3.32 114.93 117.03 2ww0 h MET 589 Ca 0.33 -0.43 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 2ww0 h MET 589 Cb 0.62 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.45 2ww0 h MET 589 CO -0.11 1.05 0.56 1.79 0.23 0.00 0.00 176.91 180.43 2ww0 h THR 590 N 0.23 1.24 0.00 -0.77 1.35 -0.25 -3.03 112.91 111.67 2ww0 h THR 590 Ca -0.02 -0.48 -0.04 0.00 -0.55 0.00 0.00 66.41 65.33 2ww0 h THR 590 Cb 1.09 -0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.47 2ww0 h THR 590 CO 0.10 0.24 -0.19 -0.37 -0.25 0.00 0.00 175.52 175.05 2ww0 h VAL 591 N 1.21 0.40 0.00 6.82 -1.51 -1.56 -3.26 116.25 118.34 2ww0 h VAL 591 Ca 0.32 -1.19 -0.06 0.00 -1.23 0.00 0.00 66.70 64.54 2ww0 h VAL 591 Cb -0.09 1.89 -0.01 0.00 -2.13 0.00 0.00 31.29 30.95 2ww0 h VAL 591 CO -0.06 0.19 -0.31 0.24 -1.23 0.00 0.00 177.57 176.39 2ww0 h MET 592 N 0.00 0.00 -5.56 5.19 2.86 -1.63 -3.47 114.93 112.32 2ww0 h MET 592 Ca -0.00 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.31 2ww0 h MET 592 Cb 0.87 0.00 0.16 0.00 0.06 0.00 0.00 31.60 32.69 2ww0 h MET 592 CO 0.02 0.31 -0.73 -1.71 1.06 0.00 0.00 176.91 175.87 2ww0 n ASN 593 N -3.49 -2.92 -2.86 1.22 4.05 -1.23 -4.94 115.26 105.08 2ww0 n ASN 593 Ca -0.00 -0.58 -0.20 0.00 0.45 0.00 0.00 54.58 54.24 2ww0 n ASN 593 Cb 0.47 -4.96 -0.01 0.00 1.23 0.00 0.00 39.78 36.51 2ww0 n ASN 593 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 2ww0 n MET 594 N -4.20 2.13 0.00 1.20 2.81 -1.26 -5.10 117.12 112.70 2ww0 n MET 594 Ca -0.22 -3.99 0.00 0.00 -1.81 0.00 0.00 57.70 51.68 2ww0 n MET 594 Cb 0.64 -1.86 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 2ww0 n MET 594 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ww0 n GLY 595 N -0.09 2.92 1.66 3.03 0.00 -1.20 -1.41 105.19 110.10 2ww0 n GLY 595 Ca 0.26 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.25 2ww0 n GLY 595 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ww0 n ASN 596 N 2.35 4.96 -4.56 1.61 3.02 0.95 -4.03 115.26 119.56 2ww0 n ASN 596 Ca 0.00 -2.60 -0.40 0.00 -0.03 0.00 0.00 54.58 51.55 2ww0 n ASN 596 Cb 0.00 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 38.53 2ww0 n ASN 596 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2ww0 s TYR 597 N -2.15 2.33 -1.23 3.10 5.04 -0.50 -4.89 117.35 119.04 2ww0 s TYR 597 Ca 0.50 -0.34 -0.10 0.00 -2.44 0.00 0.00 57.07 54.69 2ww0 s TYR 597 Cb 0.35 -4.58 0.19 0.00 0.35 0.00 0.00 41.96 38.26 2ww0 s TYR 597 CO 0.21 -1.99 1.66 0.00 -1.34 0.00 0.00 175.55 174.08 2ww0 n ALA 598 N 9.74 4.79 0.30 3.97 0.00 -1.26 -4.78 120.51 133.27 2ww0 n ALA 598 Ca 0.22 -4.35 0.18 0.00 0.00 0.00 0.00 53.44 49.50 2ww0 n ALA 598 Cb 0.50 -2.93 0.95 0.00 0.00 0.00 0.00 19.45 17.97 2ww0 n ALA 598 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2ww0 h HIS 599 N 6.23 0.00 0.00 0.00 2.76 -1.93 -1.57 115.15 120.64 2ww0 h HIS 599 Ca 0.34 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.51 2ww0 h HIS 599 Cb 0.72 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.68 2ww0 h HIS 599 CO 1.16 0.03 0.00 0.41 -1.30 0.00 0.00 177.93 178.22 2ww0 n GLY 600 N -0.72 -0.51 3.18 5.26 0.00 -1.26 -4.70 105.19 106.44 2ww0 n GLY 600 Ca -0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2ww0 n GLY 600 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ww0 s ASN 601 N -2.92 1.39 0.16 1.61 2.47 -0.59 -3.85 114.94 113.20 2ww0 s ASN 601 Ca 0.01 -0.89 -0.12 0.00 0.42 0.00 0.00 52.86 52.28 2ww0 s ASN 601 Cb 0.01 0.03 0.05 0.00 -1.45 0.00 0.00 41.25 39.89 2ww0 s ASN 601 CO 0.03 -0.33 1.66 1.56 -3.72 0.00 0.00 177.10 176.29 2ww0 h GLN 602 N 3.30 0.92 -0.88 0.43 7.50 -1.85 -3.27 115.11 121.26 2ww0 h GLN 602 Ca -0.36 -0.24 0.15 0.00 0.50 0.00 0.00 58.65 58.70 2ww0 h GLN 602 Cb 1.18 -0.11 -0.07 0.00 0.05 0.00 0.00 27.48 28.54 2ww0 h GLN 602 CO 0.57 0.88 0.57 -1.35 -1.50 0.00 0.00 178.83 178.00 2ww0 h PRO 603 N 0.81 0.59 -0.03 1.46 0.11 -1.92 -2.16 132.00 130.87 2ww0 h PRO 603 Ca 0.17 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2ww0 h PRO 603 Cb 0.40 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.38 2ww0 h PRO 603 CO 0.01 0.39 0.00 1.51 -0.21 0.00 0.00 178.00 179.70 2ww0 n ILE 604 N -4.55 0.01 0.23 4.15 3.06 -1.23 -4.49 119.36 116.54 2ww0 n ILE 604 Ca 0.17 -0.41 0.12 0.00 -2.50 0.00 0.00 62.75 60.13 2ww0 n ILE 604 Cb 0.52 1.11 0.59 0.00 0.54 0.00 0.00 39.64 42.40 2ww0 n ILE 604 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 2ww0 h GLN 605 N 3.82 0.00 0.00 9.51 4.20 -1.52 -1.10 115.11 130.02 2ww0 h GLN 605 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2ww0 h GLN 605 Cb 0.81 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.59 2ww0 h GLN 605 CO 0.00 0.00 -1.40 -2.39 -0.67 0.00 0.00 178.83 174.37 2ww0 n HIS 606 N -2.29 0.00 -0.14 2.96 1.44 -1.26 -4.69 115.22 111.23 2ww0 n HIS 606 Ca -0.01 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.67 2ww0 n HIS 606 Cb 0.09 -0.21 0.05 0.00 0.12 0.00 0.00 29.99 30.03 2ww0 n HIS 606 CO 0.00 0.00 0.00 1.98 -2.81 0.00 0.00 176.34 175.51 2ww0 h MET 607 N 0.00 0.20 -0.89 -1.40 -1.53 -1.50 -1.77 114.93 108.04 2ww0 h MET 607 Ca 0.00 -0.01 0.19 0.00 -3.44 0.00 0.00 59.70 56.44 2ww0 h MET 607 Cb 0.69 -0.04 -0.07 0.00 -0.55 0.00 0.00 31.60 31.63 2ww0 h MET 607 CO 0.00 0.13 0.59 0.82 0.14 0.00 0.00 176.91 178.59 2ww0 h ILE 608 N 0.20 0.71 0.00 1.77 2.04 -1.84 0.21 117.51 120.61 2ww0 h ILE 608 Ca 0.22 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 2ww0 h ILE 608 Cb 0.29 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2ww0 h ILE 608 CO -0.30 0.08 -0.08 1.88 0.00 0.00 0.00 178.15 179.73 2ww0 h TYR 609 N 0.46 0.00 -0.17 1.37 -1.99 -1.66 -2.50 116.97 112.47 2ww0 h TYR 609 Ca 0.46 0.00 0.05 0.00 2.00 0.00 0.00 58.73 61.24 2ww0 h TYR 609 Cb 1.07 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.80 2ww0 h TYR 609 CO -0.00 0.08 0.14 -0.07 -0.00 0.00 0.00 178.16 178.31 2ww0 h LEU 610 N 0.00 0.00 -1.57 3.88 4.07 -0.66 0.05 115.31 121.08 2ww0 h LEU 610 Ca -0.00 0.00 0.34 0.00 0.08 0.00 0.00 57.88 58.29 2ww0 h LEU 610 Cb 0.28 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 41.93 2ww0 h LEU 610 CO 0.01 0.00 0.79 1.88 -1.08 0.00 0.00 178.44 180.04 2ww0 h TYR 611 N 0.00 0.42 -0.90 1.13 0.05 -1.59 0.31 116.97 116.40 2ww0 h TYR 611 Ca 0.08 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 2ww0 h TYR 611 Cb 0.36 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 37.94 2ww0 h TYR 611 CO 0.00 -0.01 0.52 -0.44 -1.05 0.00 0.00 178.16 177.18 2ww0 h ASP 612 N 0.20 1.09 0.78 3.88 5.19 -1.20 -2.00 116.42 124.37 2ww0 h ASP 612 Ca 0.65 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.98 2ww0 h ASP 612 Cb 2.03 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 41.26 2ww0 h ASP 612 CO -0.23 0.85 0.00 1.88 -3.12 0.00 0.00 179.24 178.62 2ww0 h TYR 613 N 1.24 0.00 -0.53 4.55 -1.99 -0.52 -2.69 116.97 117.03 2ww0 h TYR 613 Ca 0.32 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.05 2ww0 h TYR 613 Cb -0.03 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.70 2ww0 h TYR 613 CO 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.17 2ww0 n ALA 614 N -2.05 2.33 -1.80 3.88 0.00 -0.79 -4.93 120.51 117.16 2ww0 n ALA 614 Ca 0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 53.44 52.25 2ww0 n ALA 614 Cb 0.25 -0.76 -0.00 0.00 0.00 0.00 0.00 19.45 18.94 2ww0 n ALA 614 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ww0 n GLY 615 N 1.27 0.35 2.33 0.00 0.00 -1.01 -4.90 105.19 103.22 2ww0 n GLY 615 Ca 0.19 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 45.14 2ww0 n GLY 615 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ww0 n GLN 616 N -1.58 1.39 0.25 1.61 6.02 -1.00 -4.60 117.38 119.47 2ww0 n GLN 616 Ca -0.02 -3.66 0.16 0.00 -0.01 0.00 0.00 57.00 53.48 2ww0 n GLN 616 Cb 0.40 -1.80 0.87 0.00 1.02 0.00 0.00 30.24 30.73 2ww0 n GLN 616 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2ww0 h PRO 617 N 3.02 0.00 -0.10 -1.09 0.13 -1.84 -1.79 132.00 130.33 2ww0 h PRO 617 Ca 0.11 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.16 2ww0 h PRO 617 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 2ww0 h PRO 617 CO 0.56 0.00 -0.27 0.11 -0.23 0.00 0.00 178.00 178.17 2ww0 h TRP 618 N 0.00 0.20 -0.32 1.56 0.09 -1.90 0.40 115.95 115.98 2ww0 h TRP 618 Ca 0.05 -0.03 -0.11 0.00 0.09 0.00 0.00 58.89 58.88 2ww0 h TRP 618 Cb 0.28 -0.05 -0.01 0.00 0.08 0.00 0.00 29.16 29.45 2ww0 h TRP 618 CO 0.00 0.44 -0.26 0.87 0.09 0.00 0.00 178.44 179.58 2ww0 h LYS 619 N 0.16 0.64 -0.38 0.12 1.57 -1.71 -0.78 116.57 116.19 2ww0 h LYS 619 Ca 0.03 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 2ww0 h LYS 619 Cb 0.57 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2ww0 h LYS 619 CO 0.04 0.83 0.03 0.00 -0.57 0.00 0.00 179.45 179.78 2ww0 h ALA 620 N 1.16 0.51 -0.35 3.86 0.00 -1.42 -2.42 119.26 120.60 2ww0 h ALA 620 Ca 0.08 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2ww0 h ALA 620 Cb 0.73 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2ww0 h ALA 620 CO 0.06 0.26 0.12 1.96 0.00 0.00 0.00 179.25 181.65 2ww0 h GLN 621 N 0.49 0.26 0.05 0.00 4.20 -0.68 -0.94 115.11 118.50 2ww0 h GLN 621 Ca 0.11 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.82 2ww0 h GLN 621 Cb 0.43 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 2ww0 h GLN 621 CO 0.01 0.17 -0.17 -0.92 -0.67 0.00 0.00 178.83 177.26 2ww0 h TYR 622 N 0.27 -0.43 -0.07 2.96 3.20 -1.05 -2.48 116.97 119.37 2ww0 h TYR 622 Ca 0.16 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.89 2ww0 h TYR 622 Cb 0.14 0.18 0.01 0.00 1.54 0.00 0.00 36.73 38.60 2ww0 h TYR 622 CO -0.14 -0.24 -0.55 -1.49 -1.64 0.00 0.00 178.16 174.09 2ww0 h TRP 623 N -0.30 0.69 -0.66 -3.82 4.06 -1.30 -2.43 115.95 112.18 2ww0 h TRP 623 Ca 0.04 -0.32 0.14 0.00 2.06 0.00 0.00 58.89 60.80 2ww0 h TRP 623 Cb 0.34 -0.10 -0.11 0.00 -1.00 0.00 0.00 29.16 28.29 2ww0 h TRP 623 CO -0.19 1.11 -0.03 -0.07 -3.56 0.00 0.00 178.44 175.70 2ww0 h LEU 624 N 0.06 -0.36 -0.99 -4.49 4.07 -1.21 0.74 115.31 113.13 2ww0 h LEU 624 Ca -0.05 0.17 -0.08 0.00 0.08 0.00 0.00 57.88 58.00 2ww0 h LEU 624 Cb 1.21 0.32 -0.02 0.00 1.08 0.00 0.00 40.66 43.25 2ww0 h LEU 624 CO 0.11 -0.15 -0.18 -0.09 -1.08 0.00 0.00 178.44 177.05 2ww0 h ARG 625 N 0.09 0.52 -0.05 1.13 9.65 -1.37 0.15 114.38 124.50 2ww0 h ARG 625 Ca 0.34 -0.17 0.04 0.00 -1.10 0.00 0.00 59.98 59.09 2ww0 h ARG 625 Cb 0.56 -0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 29.05 2ww0 h ARG 625 CO -0.59 0.68 -0.23 1.96 2.80 0.00 0.00 179.97 184.59 2ww0 h GLN 626 N 0.47 -0.32 -0.26 0.20 1.08 -0.53 -1.01 115.11 114.74 2ww0 h GLN 626 Ca 0.08 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2ww0 h GLN 626 Cb 0.58 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 2ww0 h GLN 626 CO 0.04 -0.22 0.17 0.28 -0.95 0.00 0.00 178.83 178.15 2ww0 h VAL 627 N -0.34 1.07 -0.10 -0.54 2.07 -0.11 -0.89 116.25 117.42 2ww0 h VAL 627 Ca 0.08 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 2ww0 h VAL 627 Cb 0.44 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2ww0 h VAL 627 CO -0.24 0.07 -0.11 0.24 0.02 0.00 0.00 177.57 177.54 2ww0 h MET 628 N 0.35 0.15 0.10 1.57 2.86 -0.73 0.18 114.93 119.41 2ww0 h MET 628 Ca 0.10 -0.03 -0.26 0.00 -2.06 0.00 0.00 59.70 57.45 2ww0 h MET 628 Cb -0.04 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.60 2ww0 h MET 628 CO -0.02 0.27 -1.17 -0.44 1.06 0.00 0.00 176.91 176.61 2ww0 h ASP 629 N 0.14 0.38 0.00 1.22 3.32 -0.74 -3.39 116.42 117.35 2ww0 h ASP 629 Ca 0.03 -0.39 -0.15 0.00 0.02 0.00 0.00 57.03 56.54 2ww0 h ASP 629 Cb 0.30 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 2ww0 h ASP 629 CO 0.02 1.29 -1.66 0.54 -1.72 0.00 0.00 179.24 177.71 2ww0 n ARG 630 N -3.54 1.88 -0.04 3.56 1.74 -0.38 -4.61 116.66 115.28 2ww0 n ARG 630 Ca -0.07 -0.03 0.12 0.00 -0.77 0.00 0.00 57.85 57.10 2ww0 n ARG 630 Cb 0.99 -1.26 0.24 0.00 -1.02 0.00 0.00 32.46 31.40 2ww0 n ARG 630 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2ww0 n MET 631 N -2.27 2.17 -3.84 5.56 2.81 0.01 -4.82 117.12 116.74 2ww0 n MET 631 Ca -0.13 -1.72 -0.21 0.00 -1.81 0.00 0.00 57.70 53.83 2ww0 n MET 631 Cb 0.71 -1.47 -0.17 0.00 -0.71 0.00 0.00 33.22 31.58 2ww0 n MET 631 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2ww0 s TYR 632 N -1.89 0.52 0.10 2.03 1.51 -1.26 -3.47 117.35 114.89 2ww0 s TYR 632 Ca 0.32 -0.08 0.03 0.00 -1.01 0.00 0.00 57.07 56.34 2ww0 s TYR 632 Cb 0.21 -0.65 -0.04 0.00 -0.11 0.00 0.00 41.96 41.37 2ww0 s TYR 632 CO 0.31 -0.25 -0.09 0.95 -1.11 0.00 0.00 175.55 175.36 2ww0 s THR 633 N 1.65 0.90 -2.20 -0.71 -4.23 0.10 -4.85 115.64 106.29 2ww0 s THR 633 Ca -0.00 -1.69 0.25 0.00 -1.18 0.00 0.00 61.69 59.07 2ww0 s THR 633 Cb -0.13 -1.40 0.60 0.00 1.34 0.00 0.00 72.50 72.91 2ww0 s THR 633 CO -0.03 -0.61 1.80 -0.81 -0.54 0.00 0.00 174.62 174.42 2ww0 n PRO 634 N 0.46 1.36 -0.88 3.99 -0.04 -1.26 -4.00 135.00 134.63 2ww0 n PRO 634 Ca -0.15 -0.54 -0.09 0.00 -0.04 0.00 0.00 63.50 62.68 2ww0 n PRO 634 Cb 0.58 -1.42 0.06 0.00 -0.04 0.00 0.00 33.50 32.68 2ww0 n PRO 634 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ww0 n GLY 635 N 1.03 -0.46 0.27 0.55 0.00 -1.26 -4.76 105.19 100.56 2ww0 n GLY 635 Ca 0.18 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.52 2ww0 n GLY 635 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ww0 h PRO 636 N 0.00 0.00 -1.19 1.61 0.11 -1.91 -1.58 132.00 129.03 2ww0 h PRO 636 Ca -0.13 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.31 2ww0 h PRO 636 Cb 0.40 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.19 2ww0 h PRO 636 CO 0.11 0.09 0.54 -0.40 -0.21 0.00 0.00 178.00 178.12 2ww0 n ASP 637 N -3.81 7.04 -0.03 -2.05 3.85 -1.26 -0.34 116.55 119.94 2ww0 n ASP 637 Ca -0.02 -3.79 -0.06 0.00 -0.71 0.00 0.00 54.79 50.21 2ww0 n ASP 637 Cb 0.18 -0.86 0.15 0.00 -1.35 0.00 0.00 41.12 39.24 2ww0 n ASP 637 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 2ww0 h GLY 638 N 2.27 0.67 -1.54 6.12 0.00 -1.35 -3.46 103.07 105.79 2ww0 h GLY 638 Ca 0.54 -0.56 -0.45 0.00 0.00 0.00 0.00 47.33 46.85 2ww0 h GLY 638 CO 1.38 0.51 0.07 -0.19 0.00 0.00 0.00 176.54 178.32 2ww0 s TYR 639 N -4.54 2.20 -0.64 5.60 1.51 -0.33 -0.72 117.35 120.43 2ww0 s TYR 639 Ca -0.08 -0.09 0.10 0.00 -1.01 0.00 0.00 57.07 55.99 2ww0 s TYR 639 Cb 0.13 -2.94 0.28 0.00 -0.11 0.00 0.00 41.96 39.32 2ww0 s TYR 639 CO 0.81 -1.38 1.23 0.00 -1.11 0.00 0.00 175.55 175.10 2ww0 n GLY 641 N 0.15 -1.16 3.76 0.00 0.00 -1.23 -4.41 105.19 102.30 2ww0 n GLY 641 Ca 0.11 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 2ww0 n GLY 641 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ww0 s ASP 642 N -1.86 6.41 0.46 1.61 1.01 -1.25 -2.94 116.67 120.11 2ww0 s ASP 642 Ca 0.00 2.95 0.25 0.00 0.71 0.00 0.00 52.55 56.46 2ww0 s ASP 642 Cb 0.00 -2.65 0.57 0.00 1.01 0.00 0.00 42.92 41.85 2ww0 s ASP 642 CO 0.00 -0.86 1.69 -0.08 0.21 0.00 0.00 175.17 176.13 2ww0 h GLU 643 N 4.13 0.00 -5.91 8.23 4.57 -1.59 -3.44 114.58 120.57 2ww0 h GLU 643 Ca -0.48 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.33 2ww0 h GLU 643 Cb 1.23 0.00 0.12 0.00 -0.16 0.00 0.00 28.75 29.94 2ww0 h GLU 643 CO 0.73 0.00 -0.88 -0.25 -1.18 0.00 0.00 179.01 177.44 2ww0 n ASP 644 N -3.10 -4.41 -3.20 1.04 8.00 -1.26 -2.25 116.55 111.37 2ww0 n ASP 644 Ca 0.03 -0.84 -0.23 0.00 0.71 0.00 0.00 54.79 54.46 2ww0 n ASP 644 Cb 0.48 -4.24 0.02 0.00 -0.02 0.00 0.00 41.12 37.35 2ww0 n ASP 644 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2ww0 n ASN 645 N -2.98 -4.92 0.00 -2.24 4.13 -1.26 -2.47 115.26 105.51 2ww0 n ASN 645 Ca -0.15 -0.34 0.00 0.00 1.68 0.00 0.00 54.58 55.76 2ww0 n ASN 645 Cb 0.63 -4.01 0.00 0.00 -1.54 0.00 0.00 39.78 34.86 2ww0 n ASN 645 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ww0 n GLY 646 N -1.36 1.82 0.28 7.41 0.00 -1.22 -4.57 105.19 107.56 2ww0 n GLY 646 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 2ww0 n GLY 646 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2ww0 h GLN 647 N 2.30 -0.63 0.00 1.61 5.75 -1.49 0.62 115.11 123.26 2ww0 h GLN 647 Ca 0.00 0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.49 2ww0 h GLN 647 Cb 0.00 0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 2ww0 h GLN 647 CO 0.00 -0.34 -0.23 1.15 -2.65 0.00 0.00 178.83 176.76 2ww0 h THR 648 N -0.87 1.08 0.02 2.39 2.02 -1.69 -1.33 112.91 114.53 2ww0 h THR 648 Ca -0.07 -0.82 -0.00 0.00 0.77 0.00 0.00 66.41 66.29 2ww0 h THR 648 Cb 0.59 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 2ww0 h THR 648 CO 0.11 0.23 -0.01 0.28 0.37 0.00 0.00 175.52 176.50 2ww0 h SER 649 N 0.00 -0.02 0.38 4.18 0.02 -1.67 -3.20 113.55 113.23 2ww0 h SER 649 Ca -0.00 -0.61 -0.01 0.00 -0.84 0.00 0.00 61.79 60.33 2ww0 h SER 649 Cb 0.43 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 2ww0 h SER 649 CO 0.03 0.61 -0.04 0.00 -1.14 0.00 0.00 176.83 176.29 2ww0 h ALA 650 N 0.28 1.13 -0.52 3.77 0.00 0.48 -1.65 119.26 122.75 2ww0 h ALA 650 Ca -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2ww0 h ALA 650 Cb 0.63 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2ww0 h ALA 650 CO 0.00 0.05 0.21 2.35 0.00 0.00 0.00 179.25 181.86 2ww0 h TRP 651 N 0.00 0.80 -0.49 0.00 7.01 -1.25 -1.10 115.95 120.92 2ww0 h TRP 651 Ca -0.00 -0.06 -0.13 0.00 2.11 0.00 0.00 58.89 60.81 2ww0 h TRP 651 Cb 0.24 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.05 2ww0 h TRP 651 CO 0.00 0.66 -0.20 -0.92 -2.79 0.00 0.00 178.44 175.20 2ww0 h TYR 652 N 0.71 1.13 0.27 2.65 5.03 -1.35 -0.39 116.97 125.02 2ww0 h TYR 652 Ca 0.17 -0.27 -0.01 0.00 2.58 0.00 0.00 58.73 61.21 2ww0 h TYR 652 Cb 0.20 -0.27 -0.00 0.00 1.55 0.00 0.00 36.73 38.21 2ww0 h TYR 652 CO 0.01 1.09 -0.17 0.28 -1.32 0.00 0.00 178.16 178.05 2ww0 h VAL 653 N 0.86 0.65 0.56 1.81 2.07 -1.11 0.12 116.25 121.22 2ww0 h VAL 653 Ca 0.12 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 2ww0 h VAL 653 Cb 0.77 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2ww0 h VAL 653 CO 0.06 0.00 -0.33 -0.26 0.02 0.00 0.00 177.57 177.07 2ww0 h PHE 654 N -0.42 -0.86 -0.90 1.57 0.04 -1.21 -2.71 116.94 112.46 2ww0 h PHE 654 Ca -0.03 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.84 2ww0 h PHE 654 Cb 0.35 0.30 -0.07 0.00 2.20 0.00 0.00 35.95 38.73 2ww0 h PHE 654 CO -0.09 -0.50 0.58 0.77 -0.60 0.00 0.00 178.31 178.46 2ww0 h SER 655 N -0.84 0.77 0.25 2.17 0.02 -0.87 0.13 113.55 115.20 2ww0 h SER 655 Ca -0.07 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 2ww0 h SER 655 Cb 0.67 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2ww0 h SER 655 CO 0.08 0.44 -0.29 0.00 -1.14 0.00 0.00 176.83 175.93 2ww0 h ALA 656 N 1.57 1.46 -0.08 3.77 0.00 -0.68 -2.23 119.26 123.07 2ww0 h ALA 656 Ca 0.43 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 2ww0 h ALA 656 Cb 0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2ww0 h ALA 656 CO -0.19 0.40 -0.62 -0.07 0.00 0.00 0.00 179.25 178.77 2ww0 h LEU 657 N 0.06 0.33 0.00 0.00 3.38 -0.45 0.14 115.31 118.77 2ww0 h LEU 657 Ca 0.01 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2ww0 h LEU 657 Cb 0.54 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2ww0 h LEU 657 CO 0.04 0.87 0.00 0.61 0.09 0.00 0.00 178.44 180.05 2ww0 n GLY 658 N 0.32 0.96 3.43 0.83 0.00 -0.60 -4.44 105.19 105.69 2ww0 n GLY 658 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 2ww0 n GLY 658 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ww0 s PHE 659 N -1.84 0.12 -0.11 1.61 -0.12 -1.20 0.12 117.98 116.56 2ww0 s PHE 659 Ca 0.00 -0.47 -0.11 0.00 -0.05 0.00 0.00 56.93 56.30 2ww0 s PHE 659 Cb 0.00 0.18 0.03 0.00 -0.63 0.00 0.00 43.02 42.60 2ww0 s PHE 659 CO 0.00 -0.82 0.30 -0.47 -0.05 0.00 0.00 175.22 174.18 2ww0 s TYR 660 N -3.91 -0.32 -1.37 3.49 6.14 0.29 -3.81 117.35 117.85 2ww0 s TYR 660 Ca 0.12 0.77 -0.16 0.00 0.64 0.00 0.00 57.07 58.44 2ww0 s TYR 660 Cb 0.01 0.11 0.06 0.00 0.42 0.00 0.00 41.96 42.56 2ww0 s TYR 660 CO -0.02 -0.17 1.96 -0.35 0.64 0.00 0.00 175.55 177.61 2ww0 n PRO 661 N 2.82 3.05 -0.24 4.97 -0.04 -1.26 0.15 135.00 144.45 2ww0 n PRO 661 Ca -0.13 -2.98 0.04 0.00 -0.04 0.00 0.00 63.50 60.38 2ww0 n PRO 661 Cb 0.58 -3.40 0.16 0.00 -0.04 0.00 0.00 33.50 30.80 2ww0 n PRO 661 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2ww0 h VAL 662 N 4.85 0.64 -3.08 0.52 2.07 -1.87 -3.33 116.25 116.05 2ww0 h VAL 662 Ca 0.50 -0.13 -0.62 0.00 0.82 0.00 0.00 66.70 67.28 2ww0 h VAL 662 Cb 0.77 0.24 -0.41 0.00 -1.52 0.00 0.00 31.29 30.36 2ww0 h VAL 662 CO 1.65 0.07 -0.64 0.00 0.02 0.00 0.00 177.57 178.67 2ww0 n PRO 664 N 2.47 1.71 0.00 0.00 -0.02 -1.25 -1.81 135.00 136.09 2ww0 n PRO 664 Ca 0.16 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2ww0 n PRO 664 Cb 0.35 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2ww0 n PRO 664 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ww0 n GLY 665 N 0.89 3.03 4.02 -1.23 0.00 -1.26 -4.86 105.19 105.78 2ww0 n GLY 665 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 2ww0 n GLY 665 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ww0 s THR 666 N -2.68 2.64 -0.36 2.61 -4.23 -0.75 -4.91 115.64 107.96 2ww0 s THR 666 Ca 0.00 -0.98 0.08 0.00 -1.18 0.00 0.00 61.69 59.61 2ww0 s THR 666 Cb 0.00 -2.66 0.66 0.00 1.34 0.00 0.00 72.50 71.84 2ww0 s THR 666 CO 0.00 0.00 1.71 -0.90 -0.54 0.00 0.00 174.62 174.89 2ww0 n ASP 667 N -2.04 4.45 -4.47 3.99 5.75 -1.26 -4.97 116.55 118.00 2ww0 n ASP 667 Ca 0.11 -3.12 -0.33 0.00 -0.01 0.00 0.00 54.79 51.44 2ww0 n ASP 667 Cb 0.60 -0.73 -0.13 0.00 -1.03 0.00 0.00 41.12 39.83 2ww0 n ASP 667 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2ww0 s GLU 668 N -2.74 2.97 -0.23 0.11 2.02 -1.26 0.33 118.70 119.90 2ww0 s GLU 668 Ca 0.49 -0.64 -0.03 0.00 0.02 0.00 0.00 54.97 54.81 2ww0 s GLU 668 Cb 0.40 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 32.06 2ww0 s GLU 668 CO 0.12 0.46 -0.05 0.71 0.02 0.00 0.00 175.26 176.52 2ww0 s TYR 669 N -0.29 2.97 0.32 1.61 1.51 -0.26 -4.49 117.35 118.72 2ww0 s TYR 669 Ca 0.03 -1.11 -0.27 0.00 -1.01 0.00 0.00 57.07 54.71 2ww0 s TYR 669 Cb -0.13 -2.09 -0.09 0.00 -0.11 0.00 0.00 41.96 39.54 2ww0 s TYR 669 CO 0.03 -0.60 1.05 0.08 -1.11 0.00 0.00 175.55 174.99 2ww0 s VAL 670 N 1.44 3.71 -0.04 0.71 1.01 0.12 -0.98 120.40 126.37 2ww0 s VAL 670 Ca 0.05 1.53 -0.26 0.00 0.00 0.00 0.00 61.98 63.29 2ww0 s VAL 670 Cb -0.15 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 2ww0 s VAL 670 CO -0.04 0.22 0.81 -0.32 0.00 0.00 0.00 175.10 175.77 2ww0 s MET 671 N -1.87 4.48 0.00 2.72 1.75 0.52 -0.55 119.30 126.36 2ww0 s MET 671 Ca 0.50 1.09 0.00 0.00 -1.25 0.00 0.00 55.69 56.03 2ww0 s MET 671 Cb -0.26 -3.45 0.00 0.00 2.84 0.00 0.00 34.83 33.95 2ww0 s MET 671 CO 0.33 0.01 0.00 0.41 -0.65 0.00 0.00 175.02 175.13 2ww0 n GLY 672 N 3.03 1.38 3.06 2.11 0.00 0.31 -4.92 105.19 110.16 2ww0 n GLY 672 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 2ww0 n GLY 672 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ww0 s THR 673 N 3.14 -0.04 0.26 2.61 -1.32 -1.22 -4.74 115.64 114.32 2ww0 s THR 673 Ca 0.00 0.14 -0.30 0.00 -1.21 0.00 0.00 61.69 60.32 2ww0 s THR 673 Cb 0.00 -0.38 -0.09 0.00 -1.51 0.00 0.00 72.50 70.52 2ww0 s THR 673 CO 0.00 0.06 1.10 -2.16 -2.21 0.00 0.00 174.62 171.40 2ww0 s PRO 674 N 1.19 4.64 0.27 7.08 0.04 -1.26 -4.26 135.00 142.69 2ww0 s PRO 674 Ca -0.09 1.78 0.20 0.00 0.04 0.00 0.00 61.00 62.93 2ww0 s PRO 674 Cb -0.10 -3.21 0.10 0.00 0.04 0.00 0.00 34.50 31.33 2ww0 s PRO 674 CO -0.08 0.19 1.28 1.25 0.04 0.00 0.00 177.00 179.68 2ww0 h LEU 675 N 4.10 0.00 -9.68 -3.56 5.85 -0.93 -3.48 115.31 107.61 2ww0 h LEU 675 Ca -0.46 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 57.71 2ww0 h LEU 675 Cb 1.21 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.16 2ww0 h LEU 675 CO 0.68 0.23 -0.59 -0.36 -0.34 0.00 0.00 178.44 178.06 2ww0 s PHE 676 N -3.14 2.72 0.19 1.25 0.08 -1.26 -4.92 117.98 112.90 2ww0 s PHE 676 Ca 0.02 -0.30 0.12 0.00 0.12 0.00 0.00 56.93 56.90 2ww0 s PHE 676 Cb 0.07 -1.41 0.32 0.00 -0.57 0.00 0.00 43.02 41.43 2ww0 s PHE 676 CO 0.75 0.49 1.58 0.87 -0.10 0.00 0.00 175.22 178.80 2ww0 h LYS 677 N 1.71 0.00 -2.84 0.44 1.57 -1.32 -3.41 116.57 112.73 2ww0 h LYS 677 Ca -0.44 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.19 2ww0 h LYS 677 Cb 1.25 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.29 2ww0 h LYS 677 CO 0.62 0.61 -0.37 0.21 -0.57 0.00 0.00 179.45 179.95 2ww0 s LYS 678 N -3.41 0.33 0.02 3.15 2.20 -0.98 0.81 119.74 121.87 2ww0 s LYS 678 Ca -0.00 0.63 0.05 0.00 -0.36 0.00 0.00 55.97 56.29 2ww0 s LYS 678 Cb 0.11 -0.02 -0.02 0.00 -1.51 0.00 0.00 37.83 36.40 2ww0 s LYS 678 CO 0.75 -0.14 -0.15 0.00 -0.36 0.00 0.00 175.35 175.46 2ww0 s ALA 679 N 1.10 1.22 -0.07 3.13 0.00 -0.78 -0.67 121.76 125.69 2ww0 s ALA 679 Ca -0.08 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.13 2ww0 s ALA 679 Cb -0.08 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.82 2ww0 s ALA 679 CO -0.09 0.26 -0.12 0.99 0.00 0.00 0.00 175.76 176.80 2ww0 s THR 680 N -0.68 1.12 -0.11 0.00 2.01 0.40 0.30 115.64 118.68 2ww0 s THR 680 Ca 0.03 -0.47 -0.03 0.00 0.31 0.00 0.00 61.69 61.54 2ww0 s THR 680 Cb -0.07 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 2ww0 s THR 680 CO 0.01 0.35 0.01 -0.76 -0.69 0.00 0.00 174.62 173.54 2ww0 s LEU 681 N 0.73 3.61 -0.33 4.42 1.43 0.39 -1.47 118.68 127.47 2ww0 s LEU 681 Ca -0.13 0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 53.06 2ww0 s LEU 681 Cb -0.16 -1.85 0.07 0.00 0.03 0.00 0.00 46.19 44.28 2ww0 s LEU 681 CO 0.03 0.32 0.05 -1.00 0.23 0.00 0.00 176.35 175.98 2ww0 s HIS 682 N -0.50 3.37 0.53 0.29 3.76 -0.09 -1.24 115.29 121.42 2ww0 s HIS 682 Ca 0.09 -2.07 -0.10 0.00 -0.15 0.00 0.00 55.06 52.83 2ww0 s HIS 682 Cb -0.12 -2.42 -0.05 0.00 1.11 0.00 0.00 32.58 31.10 2ww0 s HIS 682 CO 0.02 -0.85 0.91 -0.06 -0.85 0.00 0.00 174.74 173.91 2ww0 s PHE 683 N 1.20 3.56 0.56 1.40 0.08 -0.68 -4.82 117.98 119.29 2ww0 s PHE 683 Ca -0.01 1.14 0.43 0.00 0.12 0.00 0.00 56.93 58.61 2ww0 s PHE 683 Cb -0.20 -2.57 2.23 0.00 -0.57 0.00 0.00 43.02 41.91 2ww0 s PHE 683 CO -0.02 -0.44 2.30 0.93 -0.10 0.00 0.00 175.22 177.89 2ww0 h GLU 684 N 0.23 0.00 0.00 0.44 5.08 -1.87 -1.79 114.58 116.67 2ww0 h GLU 684 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2ww0 h GLU 684 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2ww0 h GLU 684 CO 0.62 0.00 0.00 0.27 -1.00 0.00 0.00 179.01 178.90 2ww0 n ASN 685 N -3.08 0.00 0.00 1.42 2.04 -1.26 -4.89 115.26 109.49 2ww0 n ASN 685 Ca -0.02 -1.33 0.00 0.00 -0.44 0.00 0.00 54.58 52.79 2ww0 n ASN 685 Cb 0.12 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.37 2ww0 n ASN 685 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2ww0 n GLY 686 N 0.83 2.46 3.90 4.83 0.00 -0.67 -5.05 105.19 111.48 2ww0 n GLY 686 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 2ww0 n GLY 686 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ww0 s ASN 687 N -1.43 5.91 0.09 1.61 0.01 -1.26 -4.90 114.94 114.97 2ww0 s ASN 687 Ca 0.00 0.91 0.06 0.00 -0.71 0.00 0.00 52.86 53.12 2ww0 s ASN 687 Cb 0.00 -2.02 -0.03 0.00 0.41 0.00 0.00 41.25 39.61 2ww0 s ASN 687 CO 0.00 -0.88 -0.16 -0.44 -1.51 0.00 0.00 177.10 174.11 2ww0 s SER 688 N -4.22 1.97 -0.11 -1.22 0.01 -1.26 -1.69 113.70 107.19 2ww0 s SER 688 Ca 0.52 -0.69 0.01 0.00 1.31 0.00 0.00 55.95 57.09 2ww0 s SER 688 Cb -0.11 -0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.07 2ww0 s SER 688 CO 0.47 -0.07 -0.11 -0.22 0.41 0.00 0.00 173.24 173.72 2ww0 s LEU 689 N -2.00 1.44 -0.19 2.44 1.98 -0.37 -0.93 118.68 121.04 2ww0 s LEU 689 Ca 0.03 -0.35 -0.07 0.00 -2.89 0.00 0.00 54.13 50.85 2ww0 s LEU 689 Cb -0.08 -0.93 -0.04 0.00 0.66 0.00 0.00 46.19 45.79 2ww0 s LEU 689 CO 0.03 -0.06 0.06 -0.69 -1.89 0.00 0.00 176.35 173.80 2ww0 s VAL 690 N 1.35 4.62 -0.47 1.68 1.01 -0.30 -0.46 120.40 127.83 2ww0 s VAL 690 Ca -0.01 -0.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.79 2ww0 s VAL 690 Cb -0.14 -3.10 0.12 0.00 0.00 0.00 0.00 36.38 33.27 2ww0 s VAL 690 CO -0.05 0.43 0.35 -0.63 0.00 0.00 0.00 175.10 175.21 2ww0 s ILE 691 N 0.64 4.30 -0.33 2.22 1.01 0.15 -0.17 121.20 129.01 2ww0 s ILE 691 Ca 0.03 -1.73 -0.21 0.00 0.00 0.00 0.00 60.65 58.74 2ww0 s ILE 691 Cb -0.13 -3.81 -0.00 0.00 0.01 0.00 0.00 42.46 38.52 2ww0 s ILE 691 CO 0.02 -0.77 0.66 -1.81 0.00 0.00 0.00 174.94 173.04 2ww0 s ASP 692 N 2.72 6.48 -0.50 3.58 1.11 0.80 -1.87 116.67 128.98 2ww0 s ASP 692 Ca 0.05 0.32 0.08 0.00 0.18 0.00 0.00 52.55 53.18 2ww0 s ASP 692 Cb -0.26 -2.34 0.31 0.00 1.07 0.00 0.00 42.92 41.70 2ww0 s ASP 692 CO -0.00 -0.56 0.79 0.00 1.18 0.00 0.00 175.17 176.58 2ww0 n ALA 693 N 6.02 3.48 0.12 5.23 0.00 0.24 0.16 120.51 135.76 2ww0 n ALA 693 Ca -0.00 -4.16 0.19 0.00 0.00 0.00 0.00 53.44 49.47 2ww0 n ALA 693 Cb 0.49 -0.83 0.77 0.00 0.00 0.00 0.00 19.45 19.87 2ww0 n ALA 693 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ww0 h PRO 694 N 3.36 0.00 -0.55 0.00 0.13 -1.76 -0.47 132.00 132.71 2ww0 h PRO 694 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2ww0 h PRO 694 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2ww0 h PRO 694 CO 0.68 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.74 2ww0 n ASN 695 N -3.81 3.40 -4.74 1.44 4.05 -1.26 -4.98 115.26 109.36 2ww0 n ASN 695 Ca 0.06 -1.98 -0.38 0.00 0.45 0.00 0.00 54.58 52.73 2ww0 n ASN 695 Cb 0.52 -0.36 0.05 0.00 1.23 0.00 0.00 39.78 41.22 2ww0 n ASN 695 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 2ww0 s ASN 696 N -1.19 5.05 0.35 1.20 3.84 -0.18 -4.73 114.94 119.28 2ww0 s ASN 696 Ca 0.42 2.75 -0.17 0.00 0.21 0.00 0.00 52.86 56.07 2ww0 s ASN 696 Cb 0.23 -2.63 0.06 0.00 -0.55 0.00 0.00 41.25 38.35 2ww0 s ASN 696 CO 0.30 -1.72 0.84 -0.94 -2.79 0.00 0.00 177.10 172.80 2ww0 s SER 697 N -1.05 0.01 0.38 -4.21 1.04 -1.24 -4.91 113.70 103.72 2ww0 s SER 697 Ca 0.75 -1.08 0.10 0.00 0.48 0.00 0.00 55.95 56.21 2ww0 s SER 697 Cb -0.40 0.79 0.76 0.00 0.10 0.00 0.00 66.02 67.27 2ww0 s SER 697 CO 0.46 -1.57 1.88 0.74 0.98 0.00 0.00 173.24 175.73 2ww0 h THR 698 N 2.00 1.21 0.14 2.02 2.02 -1.97 -3.18 112.91 115.15 2ww0 h THR 698 Ca -0.32 -0.95 -0.33 0.00 0.77 0.00 0.00 66.41 65.58 2ww0 h THR 698 Cb 1.24 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 69.03 2ww0 h THR 698 CO 0.40 0.28 -1.68 -0.33 0.37 0.00 0.00 175.52 174.57 2ww0 h GLU 699 N 0.15 0.31 -3.89 6.66 3.07 -1.96 -3.42 114.58 115.49 2ww0 h GLU 699 Ca 0.03 -0.52 -0.76 0.00 -0.50 0.00 0.00 59.36 57.60 2ww0 h GLU 699 Cb 0.48 0.19 -0.19 0.00 -0.84 0.00 0.00 28.75 28.39 2ww0 h GLU 699 CO 0.03 1.19 1.44 0.09 -1.40 0.00 0.00 179.01 180.36 2ww0 n ASN 700 N -3.50 5.37 -0.56 1.42 5.03 -1.20 -4.30 115.26 117.51 2ww0 n ASN 700 Ca -0.21 -3.09 0.06 0.00 0.87 0.00 0.00 54.58 52.20 2ww0 n ASN 700 Cb 1.06 -1.47 0.10 0.00 -1.02 0.00 0.00 39.78 38.45 2ww0 n ASN 700 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 2ww0 n PHE 701 N 4.04 0.24 -3.51 3.10 1.16 -0.94 -3.70 117.46 117.85 2ww0 n PHE 701 Ca 0.35 -0.25 -0.36 0.00 -1.87 0.00 0.00 57.45 55.32 2ww0 n PHE 701 Cb 0.38 -0.01 -0.06 0.00 -1.61 0.00 0.00 39.48 38.19 2ww0 n PHE 701 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 2ww0 s TYR 702 N -0.98 3.62 -0.31 2.97 2.02 -0.24 -4.70 117.35 119.73 2ww0 s TYR 702 Ca 0.19 0.89 -0.19 0.00 -0.37 0.00 0.00 57.07 57.59 2ww0 s TYR 702 Cb 0.11 -2.23 -0.01 0.00 -0.40 0.00 0.00 41.96 39.43 2ww0 s TYR 702 CO 0.15 0.53 0.57 0.42 -1.57 0.00 0.00 175.55 175.65 2ww0 s ILE 703 N -1.34 4.98 -0.12 2.71 1.01 -1.26 -0.24 121.20 126.94 2ww0 s ILE 703 Ca 0.32 0.68 -0.15 0.00 0.00 0.00 0.00 60.65 61.49 2ww0 s ILE 703 Cb -0.15 -3.96 -0.26 0.00 0.01 0.00 0.00 42.46 38.10 2ww0 s ILE 703 CO 0.17 -0.13 0.49 -0.78 0.00 0.00 0.00 174.94 174.69 2ww0 h ASP 704 N 8.27 0.33 -5.12 3.58 3.58 -1.33 -3.41 116.42 122.32 2ww0 h ASP 704 Ca -0.28 -0.83 -0.05 0.00 0.42 0.00 0.00 57.03 56.29 2ww0 h ASP 704 Cb 1.12 -0.11 -0.12 0.00 1.72 0.00 0.00 39.33 41.94 2ww0 h ASP 704 CO 0.78 1.63 -0.11 -0.94 -2.88 0.00 0.00 179.24 177.71 2ww0 s SER 705 N -7.00 -0.16 -0.09 2.28 1.04 -1.23 -4.89 113.70 103.66 2ww0 s SER 705 Ca -0.21 -0.48 -0.07 0.00 0.48 0.00 0.00 55.95 55.67 2ww0 s SER 705 Cb 0.05 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.68 2ww0 s SER 705 CO 0.74 -0.90 0.22 -0.32 0.98 0.00 0.00 173.24 173.97 2ww0 s MET 706 N -3.85 0.24 0.03 4.02 1.75 -1.26 -1.72 119.30 118.50 2ww0 s MET 706 Ca 0.07 0.37 0.04 0.00 -1.25 0.00 0.00 55.69 54.92 2ww0 s MET 706 Cb 0.02 0.04 -0.02 0.00 2.84 0.00 0.00 34.83 37.71 2ww0 s MET 706 CO -0.08 -0.07 -0.12 -1.54 -0.65 0.00 0.00 175.02 172.56 2ww0 s SER 707 N 0.48 1.37 -0.33 1.11 1.04 -0.43 0.53 113.70 117.48 2ww0 s SER 707 Ca -0.03 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 56.03 2ww0 s SER 707 Cb -0.04 -0.09 0.09 0.00 0.10 0.00 0.00 66.02 66.08 2ww0 s SER 707 CO -0.02 0.02 0.03 0.12 0.98 0.00 0.00 173.24 174.36 2ww0 s PHE 708 N -0.76 3.57 -1.40 5.02 2.19 0.87 -0.42 117.98 127.04 2ww0 s PHE 708 Ca 0.00 -2.63 -0.09 0.00 0.33 0.00 0.00 56.93 54.53 2ww0 s PHE 708 Cb -0.07 -2.64 0.03 0.00 -1.31 0.00 0.00 43.02 39.03 2ww0 s PHE 708 CO 0.01 -0.92 1.09 0.09 1.83 0.00 0.00 175.22 177.31 2ww0 n ASN 709 N 4.39 -5.29 0.00 6.13 5.03 0.45 -2.39 115.26 123.58 2ww0 n ASN 709 Ca -0.03 -0.64 0.00 0.00 0.87 0.00 0.00 54.58 54.78 2ww0 n ASN 709 Cb 0.42 -4.62 0.00 0.00 -1.02 0.00 0.00 39.78 34.56 2ww0 n ASN 709 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ww0 n GLY 710 N -1.82 2.85 3.77 7.41 0.00 -1.26 -5.01 105.19 111.12 2ww0 n GLY 710 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 2ww0 n GLY 710 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ww0 s ALA 711 N -1.67 3.25 0.26 4.61 0.00 -1.01 -5.01 121.76 122.19 2ww0 s ALA 711 Ca 0.00 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 2ww0 s ALA 711 Cb 0.00 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 2ww0 s ALA 711 CO 0.00 -0.30 1.13 0.34 0.00 0.00 0.00 175.76 176.93 2ww0 s ASP 712 N -1.12 7.21 -0.36 0.00 2.15 -1.26 -0.09 116.67 123.19 2ww0 s ASP 712 Ca 0.52 2.27 0.01 0.00 0.43 0.00 0.00 52.55 55.79 2ww0 s ASP 712 Cb -0.29 -2.62 0.11 0.00 -0.30 0.00 0.00 42.92 39.82 2ww0 s ASP 712 CO 0.37 -0.21 0.13 -2.28 -0.17 0.00 0.00 175.17 173.01 2ww0 s HIS 713 N -0.90 2.39 -1.54 -5.34 5.65 0.19 -4.80 115.29 110.94 2ww0 s HIS 713 Ca 0.46 -2.32 0.24 0.00 0.25 0.00 0.00 55.06 53.69 2ww0 s HIS 713 Cb -0.32 -2.14 0.22 0.00 -1.18 0.00 0.00 32.58 29.15 2ww0 s HIS 713 CO 0.41 -0.87 1.22 0.25 -0.65 0.00 0.00 174.74 175.10 2ww0 n THR 714 N 4.28 0.00 -1.69 0.89 -2.24 -1.26 -4.18 114.28 110.08 2ww0 n THR 714 Ca 0.02 -0.12 -0.34 0.00 -2.27 0.00 0.00 64.05 61.34 2ww0 n THR 714 Cb 0.40 0.81 0.06 0.00 -2.10 0.00 0.00 70.33 69.50 2ww0 n THR 714 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ww0 s LYS 715 N -2.70 2.57 -0.16 -0.78 1.02 -1.26 -3.65 119.74 114.78 2ww0 s LYS 715 Ca 0.16 1.65 0.09 0.00 0.02 0.00 0.00 55.97 57.89 2ww0 s LYS 715 Cb 0.18 -1.90 0.53 0.00 -0.52 0.00 0.00 37.83 36.12 2ww0 s LYS 715 CO 0.65 -1.48 1.32 0.09 -0.92 0.00 0.00 175.35 175.01 2ww0 n ASN 716 N -2.33 4.06 -3.62 2.83 5.03 -0.36 -4.93 115.26 115.93 2ww0 n ASN 716 Ca 0.12 -2.62 -0.10 0.00 0.87 0.00 0.00 54.58 52.85 2ww0 n ASN 716 Cb 0.51 -0.63 -0.04 0.00 -1.02 0.00 0.00 39.78 38.61 2ww0 n ASN 716 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2ww0 s TYR 717 N -2.14 -0.25 0.18 3.10 1.13 -1.26 -0.35 117.35 117.75 2ww0 s TYR 717 Ca 0.35 -0.05 0.11 0.00 -1.41 0.00 0.00 57.07 56.07 2ww0 s TYR 717 Cb 0.27 0.39 -0.04 0.00 -1.10 0.00 0.00 41.96 41.48 2ww0 s TYR 717 CO 0.10 -0.82 -0.23 -0.51 -2.51 0.00 0.00 175.55 171.57 2ww0 s LEU 718 N -2.82 2.42 -0.10 -3.49 1.43 -0.15 -4.94 118.68 111.04 2ww0 s LEU 718 Ca 0.05 -0.85 -0.02 0.00 -1.03 0.00 0.00 54.13 52.28 2ww0 s LEU 718 Cb 0.00 -1.12 -0.03 0.00 0.03 0.00 0.00 46.19 45.07 2ww0 s LEU 718 CO -0.09 0.11 -0.03 -0.13 0.23 0.00 0.00 176.35 176.44 2ww0 s ARG 719 N -2.60 3.10 0.21 1.70 0.52 -1.26 -1.11 118.95 119.52 2ww0 s ARG 719 Ca 0.19 -0.47 -0.16 0.00 -0.52 0.00 0.00 55.73 54.77 2ww0 s ARG 719 Cb -0.08 -2.78 0.21 0.00 0.52 0.00 0.00 34.95 32.83 2ww0 s ARG 719 CO 0.09 0.58 1.60 1.25 0.02 0.00 0.00 175.30 178.84 2ww0 h HIS 720 N 5.57 -0.61 -0.12 -0.53 -0.00 -0.51 -0.71 115.15 118.26 2ww0 h HIS 720 Ca -0.45 0.07 -0.07 0.00 -0.00 0.00 0.00 60.37 59.91 2ww0 h HIS 720 Cb 1.19 0.37 -0.01 0.00 -0.00 0.00 0.00 27.41 28.95 2ww0 h HIS 720 CO 0.59 -0.34 -0.25 0.93 -0.00 0.00 0.00 177.93 178.86 2ww0 h GLU 721 N -0.07 0.20 -0.19 5.26 3.07 -1.96 -1.91 114.58 118.98 2ww0 h GLU 721 Ca 0.29 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 59.05 2ww0 h GLU 721 Cb 0.53 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 2ww0 h GLU 721 CO -0.70 0.45 -0.02 -0.44 -1.40 0.00 0.00 179.01 176.90 2ww0 h ASP 722 N 0.19 0.35 -0.34 1.42 3.32 -1.58 -2.83 116.42 116.95 2ww0 h ASP 722 Ca 0.03 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 2ww0 h ASP 722 Cb 0.55 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 2ww0 h ASP 722 CO 0.04 0.60 0.21 -0.07 -1.72 0.00 0.00 179.24 178.31 2ww0 h LEU 723 N 0.10 0.41 -2.23 1.55 3.38 -0.93 -2.21 115.31 115.38 2ww0 h LEU 723 Ca 0.05 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2ww0 h LEU 723 Cb 0.43 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2ww0 h LEU 723 CO 0.01 0.33 0.12 -0.26 0.09 0.00 0.00 178.44 178.73 2ww0 h PHE 724 N 0.45 0.00 0.00 1.13 -1.00 -1.30 0.12 116.94 116.34 2ww0 h PHE 724 Ca 0.12 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.90 2ww0 h PHE 724 Cb -0.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.55 2ww0 h PHE 724 CO -0.04 0.00 0.00 0.87 -1.61 0.00 0.00 178.31 177.53 2ww0 h LYS 725 N 0.00 0.00 0.00 1.51 1.57 -1.14 -3.44 116.57 115.07 2ww0 h LYS 725 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2ww0 h LYS 725 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2ww0 h LYS 725 CO -0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 2ww0 n GLY 726 N -0.13 -1.52 0.00 3.86 0.00 0.42 -4.87 105.19 102.95 2ww0 n GLY 726 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2ww0 n GLY 726 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww0 n GLY 727 N 0.00 0.38 3.09 -0.02 0.00 -0.11 -4.91 105.19 103.62 2ww0 n GLY 727 Ca 0.00 -1.82 -0.22 0.00 0.00 0.00 0.00 46.02 43.98 2ww0 n GLY 727 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ww0 s THR 728 N 0.00 1.04 -0.13 2.61 2.01 -1.26 -1.15 115.64 118.77 2ww0 s THR 728 Ca 0.00 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.45 2ww0 s THR 728 Cb 0.00 -0.87 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 2ww0 s THR 728 CO 0.00 0.30 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.45 2ww0 s ILE 729 N -0.26 2.91 -0.13 1.82 1.01 0.76 -0.41 121.20 126.90 2ww0 s ILE 729 Ca 0.04 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 2ww0 s ILE 729 Cb -0.06 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 2ww0 s ILE 729 CO -0.00 0.53 -0.10 -0.75 0.00 0.00 0.00 174.94 174.62 2ww0 s LYS 730 N 0.35 3.39 -0.20 2.79 2.20 0.44 -0.14 119.74 128.57 2ww0 s LYS 730 Ca -0.12 -0.63 0.01 0.00 -0.36 0.00 0.00 55.97 54.87 2ww0 s LYS 730 Cb -0.16 -2.70 0.04 0.00 -1.51 0.00 0.00 37.83 33.50 2ww0 s LYS 730 CO 0.06 0.27 -0.09 0.08 -0.36 0.00 0.00 175.35 175.31 2ww0 s VAL 731 N 0.23 1.52 -0.43 4.02 1.01 0.12 -1.31 120.40 125.56 2ww0 s VAL 731 Ca -0.06 -0.96 -0.24 0.00 0.00 0.00 0.00 61.98 60.72 2ww0 s VAL 731 Cb -0.15 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.61 2ww0 s VAL 731 CO 0.04 0.13 0.81 -1.81 0.00 0.00 0.00 175.10 174.28 2ww0 s ASP 732 N 1.44 6.46 0.32 3.32 1.11 -0.70 -4.27 116.67 124.36 2ww0 s ASP 732 Ca -0.01 0.04 -0.18 0.00 0.18 0.00 0.00 52.55 52.58 2ww0 s ASP 732 Cb -0.16 -2.40 -0.09 0.00 1.07 0.00 0.00 42.92 41.33 2ww0 s ASP 732 CO -0.08 -0.90 0.78 -0.04 1.18 0.00 0.00 175.17 176.11 2ww0 s MET 733 N 3.34 4.13 0.12 8.23 -1.94 -1.26 -0.88 119.30 131.04 2ww0 s MET 733 Ca 0.32 0.83 -0.03 0.00 -1.71 0.00 0.00 55.69 55.10 2ww0 s MET 733 Cb -0.12 -2.51 -0.03 0.00 2.01 0.00 0.00 34.83 34.18 2ww0 s MET 733 CO 0.22 0.18 0.10 0.45 -0.01 0.00 0.00 175.02 175.96 2ww0 s SER 734 N -2.08 0.27 0.00 3.03 0.15 0.67 -4.82 113.70 110.92 2ww0 s SER 734 Ca 0.53 -1.06 0.25 0.00 0.70 0.00 0.00 55.95 56.36 2ww0 s SER 734 Cb -0.12 0.31 0.33 0.00 -1.71 0.00 0.00 66.02 64.83 2ww0 s SER 734 CO 0.18 -0.74 1.34 -0.46 1.20 0.00 0.00 173.24 174.76 2ww0 n ASN 735 N -0.08 2.78 -4.24 5.45 6.94 -1.26 -1.08 115.26 123.77 2ww0 n ASN 735 Ca -0.08 -1.92 -0.28 0.00 -0.02 0.00 0.00 54.58 52.28 2ww0 n ASN 735 Cb 0.63 -0.01 -0.16 0.00 -2.36 0.00 0.00 39.78 37.89 2ww0 n ASN 735 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2ww0 s ARG 736 N -1.98 1.73 0.52 -3.83 0.52 -1.26 -4.93 118.95 109.72 2ww0 s ARG 736 Ca 0.30 -0.79 -0.21 0.00 -0.52 0.00 0.00 55.73 54.52 2ww0 s ARG 736 Cb 0.20 -1.69 -0.06 0.00 0.52 0.00 0.00 34.95 33.93 2ww0 s ARG 736 CO 0.31 0.46 1.18 -1.25 0.02 0.00 0.00 175.30 176.02 2ww0 s PRO 737 N -0.55 3.40 -0.46 3.54 0.04 -1.26 -4.84 135.00 134.87 2ww0 s PRO 737 Ca 0.08 1.77 -0.11 0.00 0.04 0.00 0.00 61.00 62.78 2ww0 s PRO 737 Cb -0.08 -2.15 0.09 0.00 0.04 0.00 0.00 34.50 32.39 2ww0 s PRO 737 CO -0.01 -0.85 0.34 1.21 0.04 0.00 0.00 177.00 177.73 2ww0 s ASN 738 N -1.51 5.84 0.00 6.66 3.84 -1.26 -4.95 114.94 123.55 2ww0 s ASN 738 Ca 0.70 -1.57 0.14 0.00 0.21 0.00 0.00 52.86 52.35 2ww0 s ASN 738 Cb -0.28 -2.06 0.74 0.00 -0.55 0.00 0.00 41.25 39.09 2ww0 s ASN 738 CO 0.33 -0.63 1.36 0.18 -2.79 0.00 0.00 177.10 175.54 2ww0 n LEU 739 N 5.02 0.00 -0.00 3.21 4.32 -1.26 -3.19 117.00 125.10 2ww0 n LEU 739 Ca -0.11 0.23 0.05 0.00 -0.02 0.00 0.00 56.01 56.16 2ww0 n LEU 739 Cb 0.42 -0.23 -0.08 0.00 -1.62 0.00 0.00 43.42 41.92 2ww0 n LEU 739 CO 0.43 -0.12 -0.47 0.59 -1.22 0.00 0.00 177.39 176.61 2ww0 n ASN 740 N -1.23 2.02 -4.73 -1.43 3.02 -1.26 -4.90 115.26 106.74 2ww0 n ASN 740 Ca 0.08 -0.20 -0.40 0.00 -0.03 0.00 0.00 54.58 54.02 2ww0 n ASN 740 Cb 0.10 1.36 -0.05 0.00 -0.61 0.00 0.00 39.78 40.58 2ww0 n ASN 740 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2ww0 s ARG 741 N -2.54 4.54 -0.69 3.52 3.52 -1.19 -3.96 118.95 122.15 2ww0 s ARG 741 Ca -0.02 1.17 0.00 0.00 -0.13 0.00 0.00 55.73 56.75 2ww0 s ARG 741 Cb 0.07 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 30.07 2ww0 s ARG 741 CO 0.44 0.19 0.00 0.41 -0.81 0.00 0.00 175.30 175.53 2ww0 n GLY 742 N 2.54 0.24 0.01 8.12 0.00 -1.24 -4.74 105.19 110.13 2ww0 n GLY 742 Ca -0.00 -0.59 0.09 0.00 0.00 0.00 0.00 46.02 45.52 2ww0 n GLY 742 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ww0 n THR 743 N -3.75 0.00 -1.80 2.61 -2.24 -1.25 -4.56 114.28 103.29 2ww0 n THR 743 Ca -0.09 -0.41 -0.38 0.00 -2.27 0.00 0.00 64.05 60.90 2ww0 n THR 743 Cb 0.50 0.09 0.04 0.00 -2.10 0.00 0.00 70.33 68.86 2ww0 n THR 743 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ww0 s LYS 744 N -3.25 3.12 0.36 -0.78 1.02 -1.26 -4.85 119.74 114.10 2ww0 s LYS 744 Ca -0.07 2.21 0.05 0.00 0.02 0.00 0.00 55.97 58.18 2ww0 s LYS 744 Cb 0.12 -2.23 0.69 0.00 -0.52 0.00 0.00 37.83 35.89 2ww0 s LYS 744 CO 0.75 -1.20 1.96 1.49 -0.92 0.00 0.00 175.35 177.44 2ww0 h GLU 745 N 1.41 0.60 0.00 1.68 4.22 -2.00 -1.43 114.58 119.07 2ww0 h GLU 745 Ca -0.51 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 58.86 2ww0 h GLU 745 Cb 1.30 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2ww0 h GLU 745 CO 0.57 0.49 0.00 -0.85 -2.18 0.00 0.00 179.01 177.04 2ww0 n GLU 746 N -4.38 0.50 0.06 1.92 0.00 -1.26 -2.29 120.64 115.19 2ww0 n GLU 746 Ca 0.03 0.03 0.13 0.00 0.00 0.00 0.00 57.16 57.35 2ww0 n GLU 746 Cb 0.14 -1.50 0.36 0.00 0.00 0.00 0.00 31.44 30.44 2ww0 n GLU 746 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2ww0 n ASP 747 N -1.21 0.60 -4.79 -1.84 8.00 -0.54 -4.91 116.55 111.87 2ww0 n ASP 747 Ca 0.14 0.33 -0.35 0.00 0.71 0.00 0.00 54.79 55.63 2ww0 n ASP 747 Cb 0.18 -0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 40.91 2ww0 n ASP 747 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2ww0 s MET 748 N -3.09 3.76 1.03 -1.24 -1.94 -0.97 -1.23 119.30 115.62 2ww0 s MET 748 Ca 0.10 1.47 -0.16 0.00 -1.71 0.00 0.00 55.69 55.39 2ww0 s MET 748 Cb 0.14 -2.17 0.21 0.00 2.01 0.00 0.00 34.83 35.03 2ww0 s MET 748 CO 0.63 -0.48 1.20 -2.14 -0.01 0.00 0.00 175.02 174.22 2ww0 s PRO 749 N -3.09 0.17 0.30 2.03 0.02 -1.26 -4.88 135.00 128.29 2ww0 s PRO 749 Ca 0.67 -0.11 -0.30 0.00 0.02 0.00 0.00 61.00 61.28 2ww0 s PRO 749 Cb -0.20 -1.76 -0.12 0.00 0.02 0.00 0.00 34.50 32.44 2ww0 s PRO 749 CO 0.24 -2.78 1.54 0.98 -0.33 0.00 0.00 177.00 176.65 2ww0 n TYR 750 N -4.09 2.76 -4.18 6.54 9.36 -1.26 -5.03 117.16 121.26 2ww0 n TYR 750 Ca 0.12 0.32 -0.17 0.00 3.32 0.00 0.00 57.90 61.49 2ww0 n TYR 750 Cb 0.59 -2.56 -0.15 0.00 -0.63 0.00 0.00 39.34 36.59 2ww0 n TYR 750 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2ww0 s SER 751 N 0.35 0.70 0.20 2.98 0.01 -1.26 -4.67 113.70 112.01 2ww0 s SER 751 Ca 0.63 -0.10 -0.11 0.00 1.31 0.00 0.00 55.95 57.68 2ww0 s SER 751 Cb -0.52 -0.12 0.19 0.00 0.21 0.00 0.00 66.02 65.79 2ww0 s SER 751 CO 0.51 0.05 1.81 0.15 0.41 0.00 0.00 173.24 176.18 2ww0 h PHE 752 N 6.18 0.66 -1.00 2.43 3.57 -0.65 -1.87 116.94 126.26 2ww0 h PHE 752 Ca -0.30 0.02 0.26 0.00 3.53 0.00 0.00 57.97 61.48 2ww0 h PHE 752 Cb 1.18 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 39.65 2ww0 h PHE 752 CO 0.42 0.34 0.67 0.77 -2.23 0.00 0.00 178.31 178.28 2ww0 h SER 753 N 0.68 0.28 1.29 0.41 0.02 -1.91 0.17 113.55 114.50 2ww0 h SER 753 Ca 0.27 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2ww0 h SER 753 Cb 0.12 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2ww0 h SER 753 CO -0.15 0.08 0.00 0.11 -1.14 0.00 0.00 176.83 175.73 2ww0 h LYS 754 N 0.26 0.00 -0.02 3.45 1.57 -1.74 -3.50 116.57 116.58 2ww0 h LYS 754 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 2ww0 h LYS 754 Cb 1.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.88 2ww0 h LYS 754 CO -0.16 0.00 0.00 -0.85 -0.57 0.00 0.00 179.45 177.87