#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ww3 s ASP 21 N 0.00 4.82 -0.01 3.14 2.15 -1.26 -4.96 116.67 120.55 2ww3 s ASP 21 Ca 0.00 -0.10 0.11 0.00 0.43 0.00 0.00 52.55 52.99 2ww3 s ASP 21 Cb 0.00 -1.72 -0.16 0.00 -0.30 0.00 0.00 42.92 40.73 2ww3 s ASP 21 CO 0.00 0.20 0.29 0.79 -0.17 0.00 0.00 175.17 176.28 2ww3 n TRP 22 N 3.35 0.00 0.28 -5.34 8.01 -1.26 -4.56 117.44 117.92 2ww3 n TRP 22 Ca -0.17 0.00 0.13 0.00 -1.31 0.00 0.00 57.50 56.14 2ww3 n TRP 22 Cb 0.53 -0.20 0.82 0.00 -2.01 0.00 0.00 31.31 30.45 2ww3 n TRP 22 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 2ww3 h THR 23 N 0.00 0.66 -0.00 -0.99 1.35 -1.93 -1.10 112.91 110.91 2ww3 h THR 23 Ca 0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 2ww3 h THR 23 Cb 0.46 1.05 -0.00 0.00 -1.73 0.00 0.00 68.15 67.93 2ww3 h THR 23 CO 0.00 0.02 0.00 0.06 -0.25 0.00 0.00 175.52 175.35 2ww3 h GLN 24 N 0.00 0.00 -0.01 4.72 3.07 -2.01 0.01 115.11 120.89 2ww3 h GLN 24 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2ww3 h GLN 24 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.60 2ww3 h GLN 24 CO 0.00 0.00 -0.52 0.66 0.09 0.00 0.00 178.83 179.06 2ww3 n TYR 25 N -3.28 0.00 -2.88 0.06 4.01 -0.41 -4.90 117.16 109.75 2ww3 n TYR 25 Ca -0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.30 2ww3 n TYR 25 Cb 0.07 -0.12 -0.04 0.00 -0.31 0.00 0.00 39.34 38.95 2ww3 n TYR 25 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2ww3 s VAL 26 N -2.76 4.92 -0.39 -0.72 1.01 -0.01 -4.17 120.40 118.28 2ww3 s VAL 26 Ca 0.16 1.70 -0.03 0.00 0.00 0.00 0.00 61.98 63.81 2ww3 s VAL 26 Cb 0.18 -4.16 0.10 0.00 0.00 0.00 0.00 36.38 32.49 2ww3 s VAL 26 CO 0.66 0.12 0.16 0.21 0.00 0.00 0.00 175.10 176.25 2ww3 s ASN 27 N 1.02 5.19 0.00 3.32 2.47 -1.26 -4.83 114.94 120.85 2ww3 s ASN 27 Ca 0.42 -1.86 0.18 0.00 0.42 0.00 0.00 52.86 52.02 2ww3 s ASN 27 Cb -0.18 -1.81 0.98 0.00 -1.45 0.00 0.00 41.25 38.79 2ww3 s ASN 27 CO 0.18 -0.48 1.52 -2.65 -3.72 0.00 0.00 177.10 171.95 2ww3 n PRO 28 N 4.60 0.38 0.00 0.43 -0.02 -1.26 -2.18 135.00 136.96 2ww3 n PRO 28 Ca -0.04 0.07 0.13 0.00 -2.02 0.00 0.00 63.50 61.63 2ww3 n PRO 28 Cb 0.42 -1.50 0.32 0.00 -0.02 0.00 0.00 33.50 32.72 2ww3 n PRO 28 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2ww3 n LEU 29 N -1.17 0.78 -4.64 2.45 4.77 -1.26 -3.66 117.00 114.27 2ww3 n LEU 29 Ca 0.11 -0.14 -0.43 0.00 -0.03 0.00 0.00 56.01 55.52 2ww3 n LEU 29 Cb 0.11 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 2ww3 n LEU 29 CO 0.12 0.16 1.47 -0.32 -1.33 0.00 0.00 177.39 177.50 2ww3 s MET 30 N -2.73 3.90 0.00 3.23 1.75 -0.93 -1.08 119.30 123.44 2ww3 s MET 30 Ca 0.18 2.04 0.00 0.00 -1.25 0.00 0.00 55.69 56.67 2ww3 s MET 30 Cb 0.18 -4.08 0.00 0.00 2.84 0.00 0.00 34.83 33.77 2ww3 s MET 30 CO 0.60 -1.19 0.00 0.41 -0.65 0.00 0.00 175.02 174.19 2ww3 n GLY 31 N 4.61 0.58 0.21 2.11 0.00 0.17 -4.75 105.19 108.12 2ww3 n GLY 31 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 2ww3 n GLY 31 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ww3 h SER 32 N 0.00 0.00 -0.52 1.61 4.64 -0.24 -2.57 113.55 116.47 2ww3 h SER 32 Ca 0.00 -0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.61 2ww3 h SER 32 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 2ww3 h SER 32 CO 0.00 0.00 3.08 1.67 -0.87 0.00 0.00 176.83 180.71 2ww3 n GLN 33 N -3.06 3.82 -4.53 4.77 7.27 -0.76 -1.98 117.38 122.92 2ww3 n GLN 33 Ca 0.04 -2.81 -0.28 0.00 0.07 0.00 0.00 57.00 54.01 2ww3 n GLN 33 Cb 0.53 -2.85 -0.13 0.00 2.41 0.00 0.00 30.24 30.20 2ww3 n GLN 33 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2ww3 s SER 34 N 1.63 3.05 0.34 1.69 0.01 -1.26 -4.47 113.70 114.69 2ww3 s SER 34 Ca 0.58 -0.67 0.06 0.00 1.31 0.00 0.00 55.95 57.22 2ww3 s SER 34 Cb 0.16 -0.22 -0.07 0.00 0.21 0.00 0.00 66.02 66.11 2ww3 s SER 34 CO -0.07 0.18 0.01 0.42 0.41 0.00 0.00 173.24 174.19 2ww3 s THR 35 N -0.98 1.56 0.29 1.44 -4.23 -1.00 -4.93 115.64 107.78 2ww3 s THR 35 Ca 0.11 -2.03 0.01 0.00 -1.18 0.00 0.00 61.69 58.60 2ww3 s THR 35 Cb -0.10 -2.78 0.28 0.00 1.34 0.00 0.00 72.50 71.25 2ww3 s THR 35 CO 0.04 -0.07 1.85 0.15 -0.54 0.00 0.00 174.62 176.05 2ww3 h PHE 36 N 2.05 1.14 0.00 3.99 3.57 -2.02 -2.91 116.94 122.76 2ww3 h PHE 36 Ca -0.42 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.02 2ww3 h PHE 36 Cb 1.24 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 2ww3 h PHE 36 CO 0.65 0.48 -0.48 0.93 -2.23 0.00 0.00 178.31 177.66 2ww3 h GLU 37 N 1.01 0.00 -1.82 1.11 3.07 -1.96 -3.40 114.58 112.60 2ww3 h GLU 37 Ca 0.48 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 59.16 2ww3 h GLU 37 Cb 0.43 0.00 -0.29 0.00 -0.84 0.00 0.00 28.75 28.05 2ww3 h GLU 37 CO -0.24 0.48 -0.51 -1.17 -1.40 0.00 0.00 179.01 176.17 2ww3 s LEU 38 N -6.46 -0.68 0.22 1.33 2.96 -1.10 -4.21 118.68 110.75 2ww3 s LEU 38 Ca 0.04 -0.08 -0.30 0.00 -0.22 0.00 0.00 54.13 53.57 2ww3 s LEU 38 Cb 0.07 1.09 -0.08 0.00 0.50 0.00 0.00 46.19 47.77 2ww3 s LEU 38 CO 0.74 -0.33 1.07 -0.55 -1.32 0.00 0.00 176.35 175.96 2ww3 s SER 39 N 2.54 7.34 -0.19 3.68 0.15 -1.24 -2.37 113.70 123.60 2ww3 s SER 39 Ca 0.11 2.12 0.14 0.00 0.70 0.00 0.00 55.95 59.03 2ww3 s SER 39 Cb -0.14 -2.61 0.41 0.00 -1.71 0.00 0.00 66.02 61.97 2ww3 s SER 39 CO -0.23 -0.12 1.28 0.35 1.20 0.00 0.00 173.24 175.72 2ww3 n THR 40 N 1.80 2.19 0.00 6.45 -2.24 -1.26 -3.70 114.28 117.52 2ww3 n THR 40 Ca 0.00 -2.56 0.00 0.00 -2.27 0.00 0.00 64.05 59.23 2ww3 n THR 40 Cb 0.46 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 2ww3 n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ww3 n GLY 41 N -1.12 2.04 3.91 3.38 0.00 -0.92 -1.39 105.19 111.08 2ww3 n GLY 41 Ca 0.21 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 2ww3 n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ww3 n ASN 42 N 0.00 -1.07 -4.81 1.61 3.02 -1.07 -1.08 115.26 111.86 2ww3 n ASN 42 Ca 0.00 -0.95 -0.22 0.00 -0.03 0.00 0.00 54.58 53.38 2ww3 n ASN 42 Cb 0.00 -3.33 -0.05 0.00 -0.61 0.00 0.00 39.78 35.79 2ww3 n ASN 42 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2ww3 s THR 43 N -3.79 2.95 0.24 3.41 -4.23 -0.99 -4.60 115.64 108.63 2ww3 s THR 43 Ca 0.11 -1.50 0.07 0.00 -1.18 0.00 0.00 61.69 59.19 2ww3 s THR 43 Cb -0.06 -3.04 -0.05 0.00 1.34 0.00 0.00 72.50 70.69 2ww3 s THR 43 CO 0.87 -0.10 -0.09 -0.72 -0.54 0.00 0.00 174.62 174.04 2ww3 s TYR 44 N -2.43 1.80 -0.58 3.99 1.13 -1.26 -3.94 117.35 116.07 2ww3 s TYR 44 Ca 0.42 -0.66 -0.28 0.00 -1.41 0.00 0.00 57.07 55.14 2ww3 s TYR 44 Cb -0.03 -0.95 0.02 0.00 -1.10 0.00 0.00 41.96 39.90 2ww3 s TYR 44 CO 0.25 0.29 1.38 -1.25 -2.51 0.00 0.00 175.55 173.71 2ww3 s PRO 45 N -3.70 3.32 -0.77 -3.49 0.04 -1.24 -4.92 135.00 124.23 2ww3 s PRO 45 Ca 0.26 0.38 -0.24 0.00 0.04 0.00 0.00 61.00 61.45 2ww3 s PRO 45 Cb 0.02 -4.11 0.06 0.00 0.04 0.00 0.00 34.50 30.51 2ww3 s PRO 45 CO 0.09 -1.92 1.16 0.00 0.04 0.00 0.00 177.00 176.38 2ww3 s ALA 46 N 5.90 2.96 -0.39 8.56 0.00 -1.26 -4.39 121.76 133.14 2ww3 s ALA 46 Ca 0.50 -1.85 -0.26 0.00 0.00 0.00 0.00 51.96 50.35 2ww3 s ALA 46 Cb -0.10 -4.12 0.02 0.00 0.00 0.00 0.00 23.12 18.92 2ww3 s ALA 46 CO 0.24 -3.10 0.93 0.42 0.00 0.00 0.00 175.76 174.26 2ww3 s ILE 47 N 4.61 4.56 -0.20 0.00 -1.09 -0.21 -4.80 121.20 124.06 2ww3 s ILE 47 Ca 0.31 1.12 -0.35 0.00 -2.23 0.00 0.00 60.65 59.50 2ww3 s ILE 47 Cb -0.10 -4.36 0.14 0.00 -1.58 0.00 0.00 42.46 36.56 2ww3 s ILE 47 CO 0.07 -0.60 1.23 0.00 -1.23 0.00 0.00 174.94 174.40 2ww3 s ALA 48 N 3.55 -2.08 0.61 9.38 0.00 -0.50 -1.80 121.76 130.92 2ww3 s ALA 48 Ca 0.38 1.64 -0.12 0.00 0.00 0.00 0.00 51.96 53.86 2ww3 s ALA 48 Cb -0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 2ww3 s ALA 48 CO 0.20 -0.58 1.03 1.03 0.00 0.00 0.00 175.76 177.44 2ww3 s ARG 49 N -2.33 3.53 0.20 0.00 1.81 -1.26 -4.60 118.95 116.31 2ww3 s ARG 49 Ca 0.09 0.85 -0.32 0.00 -1.72 0.00 0.00 55.73 54.64 2ww3 s ARG 49 Cb -0.01 -2.07 -0.15 0.00 -0.45 0.00 0.00 34.95 32.27 2ww3 s ARG 49 CO -0.04 -0.63 1.19 -2.30 -0.68 0.00 0.00 175.30 172.84 2ww3 n PRO 50 N -2.56 1.38 -1.67 3.54 -0.02 -1.26 -0.75 135.00 133.67 2ww3 n PRO 50 Ca 0.07 0.49 -0.13 0.00 -2.02 0.00 0.00 63.50 61.91 2ww3 n PRO 50 Cb 0.54 -2.00 -0.04 0.00 -0.02 0.00 0.00 33.50 31.97 2ww3 n PRO 50 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2ww3 n TRP 51 N 1.40 -0.68 -1.62 6.00 8.01 -0.38 -4.86 117.44 125.30 2ww3 n TRP 51 Ca 0.13 0.00 -0.44 0.00 -1.31 0.00 0.00 57.50 55.89 2ww3 n TRP 51 Cb 0.27 -2.60 -0.01 0.00 -2.01 0.00 0.00 31.31 26.96 2ww3 n TRP 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2ww3 n GLY 52 N -0.40 0.01 0.24 6.99 0.00 0.07 -0.20 105.19 111.91 2ww3 n GLY 52 Ca -0.13 0.32 -0.05 0.00 0.00 0.00 0.00 46.02 46.16 2ww3 n GLY 52 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ww3 h MET 53 N 2.18 0.58 -5.08 1.61 4.05 -1.39 -3.37 114.93 113.51 2ww3 h MET 53 Ca -0.42 -0.23 -0.66 0.00 -0.28 0.00 0.00 59.70 58.11 2ww3 h MET 53 Cb 1.32 -0.03 -0.35 0.00 -0.80 0.00 0.00 31.60 31.75 2ww3 h MET 53 CO 0.61 0.79 -0.86 -0.80 0.23 0.00 0.00 176.91 176.88 2ww3 s ASN 54 N -6.80 3.05 0.25 1.39 0.01 -0.88 -4.90 114.94 107.06 2ww3 s ASN 54 Ca -0.08 -0.61 -0.01 0.00 -0.71 0.00 0.00 52.86 51.46 2ww3 s ASN 54 Cb 0.13 -1.42 -0.04 0.00 0.41 0.00 0.00 41.25 40.33 2ww3 s ASN 54 CO 0.81 0.03 0.45 -0.36 -1.51 0.00 0.00 177.10 176.52 2ww3 s PHE 55 N 1.08 3.48 -0.03 2.20 0.08 -1.01 -4.75 117.98 119.03 2ww3 s PHE 55 Ca -0.01 0.38 0.03 0.00 0.12 0.00 0.00 56.93 57.46 2ww3 s PHE 55 Cb -0.14 -1.90 -0.00 0.00 -0.57 0.00 0.00 43.02 40.41 2ww3 s PHE 55 CO -0.07 0.29 -0.12 -1.58 -0.10 0.00 0.00 175.22 173.64 2ww3 s TRP 56 N -2.00 1.24 -0.04 0.36 0.52 -0.74 -0.72 118.94 117.55 2ww3 s TRP 56 Ca 0.40 -0.31 -0.07 0.00 0.02 0.00 0.00 56.10 56.13 2ww3 s TRP 56 Cb -0.11 -0.85 0.01 0.00 -1.15 0.00 0.00 33.47 31.38 2ww3 s TRP 56 CO 0.30 -0.10 0.18 -0.08 0.02 0.00 0.00 176.95 177.28 2ww3 s THR 57 N 0.04 0.03 0.51 2.01 -1.32 -0.36 -1.04 115.64 115.51 2ww3 s THR 57 Ca -0.02 -0.26 -0.22 0.00 -1.21 0.00 0.00 61.69 59.99 2ww3 s THR 57 Cb -0.09 -0.35 -0.07 0.00 -1.51 0.00 0.00 72.50 70.48 2ww3 s THR 57 CO 0.01 -0.14 1.17 -0.81 -2.21 0.00 0.00 174.62 172.64 2ww3 n PRO 58 N 2.36 1.47 -4.06 7.08 -0.04 -1.26 -0.59 135.00 139.96 2ww3 n PRO 58 Ca -0.16 0.54 -0.33 0.00 -0.04 0.00 0.00 63.50 63.50 2ww3 n PRO 58 Cb 0.57 -2.33 -0.15 0.00 -0.04 0.00 0.00 33.50 31.55 2ww3 n PRO 58 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2ww3 s GLN 59 N -2.56 2.66 -0.13 0.54 0.74 0.13 -4.60 119.66 116.44 2ww3 s GLN 59 Ca 0.69 -1.07 0.20 0.00 0.05 0.00 0.00 55.36 55.23 2ww3 s GLN 59 Cb -0.46 -2.79 -0.28 0.00 1.10 0.00 0.00 33.01 30.58 2ww3 s GLN 59 CO 0.52 -0.39 0.25 0.25 -0.55 0.00 0.00 175.29 175.36 2ww3 n THR 60 N 4.56 0.85 -2.21 -0.34 -2.24 0.11 -1.16 114.28 113.84 2ww3 n THR 60 Ca -0.17 -0.72 -0.32 0.00 -2.27 0.00 0.00 64.05 60.57 2ww3 n THR 60 Cb 0.46 -0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.38 2ww3 n THR 60 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ww3 s GLY 61 N -5.10 1.92 0.62 3.38 0.00 -0.12 -4.77 107.32 103.25 2ww3 s GLY 61 Ca -0.09 0.09 -0.18 0.00 0.00 0.00 0.00 44.72 44.54 2ww3 s GLY 61 CO 0.86 0.36 1.19 0.54 0.00 0.00 0.00 173.10 176.05 2ww3 s LYS 62 N -4.46 2.85 0.09 2.90 1.02 -1.26 -4.91 119.74 115.97 2ww3 s LYS 62 Ca 0.58 1.74 -0.36 0.00 0.02 0.00 0.00 55.97 57.94 2ww3 s LYS 62 Cb -0.10 -1.92 -0.17 0.00 -0.52 0.00 0.00 37.83 35.12 2ww3 s LYS 62 CO 0.39 -1.28 1.33 -0.12 -0.92 0.00 0.00 175.35 174.76 2ww3 n MET 63 N -1.85 1.16 0.00 1.68 0.00 -1.26 -1.39 117.12 115.46 2ww3 n MET 63 Ca 0.13 0.42 0.00 0.00 -0.00 0.00 0.00 57.70 58.25 2ww3 n MET 63 Cb 0.50 -2.06 0.00 0.00 0.00 0.00 0.00 33.22 31.66 2ww3 n MET 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ww3 n GLY 64 N 2.51 3.22 3.67 -5.12 0.00 -1.26 -5.02 105.19 103.18 2ww3 n GLY 64 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2ww3 n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ww3 s ASP 65 N -0.60 6.74 0.53 1.61 -1.08 -0.49 -4.88 116.67 118.50 2ww3 s ASP 65 Ca 0.00 2.14 0.22 0.00 -0.52 0.00 0.00 52.55 54.40 2ww3 s ASP 65 Cb 0.00 -2.54 1.37 0.00 -1.46 0.00 0.00 42.92 40.29 2ww3 s ASP 65 CO 0.00 -0.86 2.05 1.23 0.52 0.00 0.00 175.17 178.12 2ww3 h GLY 66 N 9.67 0.00 -7.54 2.66 0.00 -1.89 -3.13 103.07 102.84 2ww3 h GLY 66 Ca -0.37 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.25 2ww3 h GLY 66 CO 0.95 0.00 2.05 0.79 0.00 0.00 0.00 176.54 180.32 2ww3 n TRP 67 N -4.39 4.54 0.16 5.60 8.01 -1.26 -4.39 117.44 125.71 2ww3 n TRP 67 Ca 0.05 -3.00 0.05 0.00 -1.31 0.00 0.00 57.50 53.29 2ww3 n TRP 67 Cb 0.42 -2.46 0.06 0.00 -2.01 0.00 0.00 31.31 27.32 2ww3 n TRP 67 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.69 176.12 2ww3 h GLN 68 N 7.16 0.00 -3.51 -0.99 3.07 -1.91 -3.35 115.11 115.57 2ww3 h GLN 68 Ca 0.42 0.00 -0.37 0.00 0.09 0.00 0.00 58.65 58.79 2ww3 h GLN 68 Cb 0.83 0.00 -0.37 0.00 0.08 0.00 0.00 27.48 28.02 2ww3 h GLN 68 CO 1.45 0.35 -0.75 -0.47 0.09 0.00 0.00 178.83 179.50 2ww3 s TYR 69 N -3.04 0.24 -0.01 0.06 5.04 -1.26 0.04 117.35 118.44 2ww3 s TYR 69 Ca 0.05 0.09 0.06 0.00 -2.44 0.00 0.00 57.07 54.83 2ww3 s TYR 69 Cb 0.07 -0.50 -0.02 0.00 0.35 0.00 0.00 41.96 41.86 2ww3 s TYR 69 CO 0.72 -0.19 -0.20 0.95 -1.34 0.00 0.00 175.55 175.50 2ww3 s THR 70 N 1.73 1.55 0.34 4.34 -4.23 -1.26 -4.76 115.64 113.34 2ww3 s THR 70 Ca -0.00 -0.88 0.01 0.00 -1.18 0.00 0.00 61.69 59.64 2ww3 s THR 70 Cb -0.13 -1.29 0.25 0.00 1.34 0.00 0.00 72.50 72.67 2ww3 s THR 70 CO -0.03 0.40 1.99 0.22 -0.54 0.00 0.00 174.62 176.65 2ww3 h TYR 71 N 5.54 0.83 -0.01 3.99 5.03 -1.76 -2.37 116.97 128.22 2ww3 h TYR 71 Ca -0.39 0.01 0.00 0.00 2.58 0.00 0.00 58.73 60.93 2ww3 h TYR 71 Cb 1.15 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 39.15 2ww3 h TYR 71 CO 0.41 0.54 0.00 0.25 -1.32 0.00 0.00 178.16 178.05 2ww3 n THR 72 N -4.42 0.01 -2.51 1.81 -2.24 -1.26 -4.87 114.28 100.80 2ww3 n THR 72 Ca 0.06 -0.04 -0.36 0.00 -2.27 0.00 0.00 64.05 61.45 2ww3 n THR 72 Cb 0.06 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 67.97 2ww3 n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ww3 s ALA 73 N -1.99 2.98 -0.20 6.98 0.00 -0.89 -4.96 121.76 123.68 2ww3 s ALA 73 Ca 0.40 0.69 0.21 0.00 0.00 0.00 0.00 51.96 53.26 2ww3 s ALA 73 Cb 0.19 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 2ww3 s ALA 73 CO 0.31 -0.31 0.98 0.09 0.00 0.00 0.00 175.76 176.83 2ww3 n ASN 74 N -0.48 0.83 -3.90 0.00 3.02 -1.26 -4.96 115.26 108.50 2ww3 n ASN 74 Ca 0.07 0.33 -0.16 0.00 -0.03 0.00 0.00 54.58 54.79 2ww3 n ASN 74 Cb 0.51 0.43 -0.15 0.00 -0.61 0.00 0.00 39.78 39.96 2ww3 n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ww3 s LYS 75 N -3.28 0.36 -0.14 3.52 1.02 -1.26 -1.51 119.74 118.46 2ww3 s LYS 75 Ca -0.01 -0.08 -0.08 0.00 0.02 0.00 0.00 55.97 55.82 2ww3 s LYS 75 Cb 0.09 -0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 36.96 2ww3 s LYS 75 CO 0.80 0.02 0.13 0.42 -0.92 0.00 0.00 175.35 175.79 2ww3 s ILE 76 N 0.28 5.43 0.00 2.17 1.01 -0.13 -4.28 121.20 125.67 2ww3 s ILE 76 Ca -0.03 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.81 2ww3 s ILE 76 Cb -0.06 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 39.02 2ww3 s ILE 76 CO -0.01 0.57 0.25 -2.11 0.00 0.00 0.00 174.94 173.65 2ww3 n ARG 77 N 2.44 2.06 0.00 2.79 1.85 -0.31 -0.70 116.66 124.78 2ww3 n ARG 77 Ca -0.19 -0.25 0.00 0.00 -1.00 0.00 0.00 57.85 56.41 2ww3 n ARG 77 Cb 0.54 -0.73 0.00 0.00 -1.05 0.00 0.00 32.46 31.22 2ww3 n ARG 77 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2ww3 n GLY 78 N 0.37 -0.12 3.21 2.89 0.00 -1.22 -4.81 105.19 105.51 2ww3 n GLY 78 Ca 0.00 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 2ww3 n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ww3 s PHE 79 N -2.00 2.78 -0.04 1.61 0.40 -0.17 0.18 117.98 120.74 2ww3 s PHE 79 Ca 0.00 -1.27 0.05 0.00 -0.60 0.00 0.00 56.93 55.11 2ww3 s PHE 79 Cb 0.00 -1.91 -0.01 0.00 0.51 0.00 0.00 43.02 41.61 2ww3 s PHE 79 CO 0.00 -0.61 -0.19 0.21 0.70 0.00 0.00 175.22 175.32 2ww3 s LYS 80 N 1.04 1.92 -0.11 0.44 2.20 0.25 -1.73 119.74 123.75 2ww3 s LYS 80 Ca -0.01 -0.70 -0.27 0.00 -0.36 0.00 0.00 55.97 54.64 2ww3 s LYS 80 Cb -0.15 -1.69 -0.02 0.00 -1.51 0.00 0.00 37.83 34.46 2ww3 s LYS 80 CO -0.05 0.31 0.88 -1.14 -0.36 0.00 0.00 175.35 174.99 2ww3 s GLN 81 N -0.11 4.39 0.04 4.03 0.74 -0.25 -1.22 119.66 127.29 2ww3 s GLN 81 Ca -0.02 1.15 0.02 0.00 0.05 0.00 0.00 55.36 56.57 2ww3 s GLN 81 Cb -0.11 -3.53 -0.02 0.00 1.10 0.00 0.00 33.01 30.44 2ww3 s GLN 81 CO 0.02 -0.23 -0.07 -0.08 -0.55 0.00 0.00 175.29 174.38 2ww3 s THR 82 N 1.75 0.50 0.00 -0.34 -1.32 0.10 -3.41 115.64 112.92 2ww3 s THR 82 Ca 0.43 -1.10 0.00 0.00 -1.21 0.00 0.00 61.69 59.80 2ww3 s THR 82 Cb -0.18 -0.62 0.00 0.00 -1.51 0.00 0.00 72.50 70.19 2ww3 s THR 82 CO 0.17 -0.42 0.77 1.41 -2.21 0.00 0.00 174.62 174.34 2ww3 n HIS 83 N 1.40 0.00 -1.89 9.09 8.25 -1.24 -2.39 115.22 128.45 2ww3 n HIS 83 Ca -0.22 -0.29 -0.42 0.00 -0.26 0.00 0.00 57.72 56.53 2ww3 n HIS 83 Cb 0.55 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 2ww3 n HIS 83 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2ww3 s GLN 84 N -0.58 4.18 0.26 -0.41 0.74 -1.26 -4.89 119.66 117.70 2ww3 s GLN 84 Ca 0.00 2.37 0.20 0.00 0.05 0.00 0.00 55.36 57.99 2ww3 s GLN 84 Cb 0.00 -3.70 0.08 0.00 1.10 0.00 0.00 33.01 30.50 2ww3 s GLN 84 CO 0.00 -0.78 1.23 -1.00 -0.55 0.00 0.00 175.29 174.19 2ww3 h PRO 85 N 8.71 0.00 -2.12 1.67 0.13 -1.90 -3.49 132.00 135.00 2ww3 h PRO 85 Ca -0.43 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.85 2ww3 h PRO 85 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 2ww3 h PRO 85 CO 0.94 0.14 0.56 -1.54 -0.23 0.00 0.00 178.00 177.87 2ww3 s SER 86 N -5.87 -0.28 0.47 1.44 1.04 -1.26 -4.54 113.70 104.70 2ww3 s SER 86 Ca 0.02 -0.08 0.26 0.00 0.48 0.00 0.00 55.95 56.64 2ww3 s SER 86 Cb 0.08 0.35 1.05 0.00 0.10 0.00 0.00 66.02 67.60 2ww3 s SER 86 CO 0.75 -0.59 1.88 1.55 0.98 0.00 0.00 173.24 177.81 2ww3 h PRO 87 N 2.00 0.00 -0.08 4.02 0.13 -1.81 0.14 132.00 136.40 2ww3 h PRO 87 Ca -0.21 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.85 2ww3 h PRO 87 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2ww3 h PRO 87 CO 0.29 0.17 -0.22 -1.49 -0.23 0.00 0.00 178.00 176.51 2ww3 h TRP 88 N 0.00 0.37 -0.04 1.56 4.06 -1.95 -3.30 115.95 116.66 2ww3 h TRP 88 Ca -0.00 -0.15 -0.22 0.00 2.06 0.00 0.00 58.89 60.59 2ww3 h TRP 88 Cb 0.67 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.77 2ww3 h TRP 88 CO 0.00 0.83 -0.88 0.82 -3.56 0.00 0.00 178.44 175.66 2ww3 h ILE 89 N -0.20 1.37 -0.49 1.49 1.08 -1.92 -3.50 117.51 115.35 2ww3 h ILE 89 Ca -0.00 -2.30 0.00 0.00 -0.39 0.00 0.00 64.86 62.16 2ww3 h ILE 89 Cb 0.83 2.29 0.00 0.00 -3.07 0.00 0.00 36.82 36.87 2ww3 h ILE 89 CO 0.05 0.69 0.00 -3.20 -0.69 0.00 0.00 178.15 175.00 2ww3 n ASN 90 N -3.80 -1.47 -4.68 1.72 2.85 0.47 -4.83 115.26 105.53 2ww3 n ASN 90 Ca -0.06 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.14 2ww3 n ASN 90 Cb 0.80 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.72 2ww3 n ASN 90 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2ww3 s ASP 91 N -4.00 4.11 0.09 1.20 -1.08 -1.26 -4.37 116.67 111.35 2ww3 s ASP 91 Ca 0.00 -1.27 -0.26 0.00 -0.52 0.00 0.00 52.55 50.50 2ww3 s ASP 91 Cb 0.00 -0.38 0.08 0.00 -1.46 0.00 0.00 42.92 41.16 2ww3 s ASP 91 CO 0.00 -0.51 0.84 -0.72 0.52 0.00 0.00 175.17 175.30 2ww3 s TYR 92 N -2.68 -0.31 -1.17 -5.34 1.13 -1.26 -2.29 117.35 105.43 2ww3 s TYR 92 Ca 0.36 0.09 -0.11 0.00 -1.41 0.00 0.00 57.07 56.01 2ww3 s TYR 92 Cb 0.07 0.58 -0.02 0.00 -1.10 0.00 0.00 41.96 41.49 2ww3 s TYR 92 CO 0.19 -0.73 0.79 0.41 -2.51 0.00 0.00 175.55 173.71 2ww3 n GLY 93 N -0.35 -0.82 2.97 5.49 0.00 -1.24 -3.71 105.19 107.54 2ww3 n GLY 93 Ca -0.09 0.39 -0.25 0.00 0.00 0.00 0.00 46.02 46.06 2ww3 n GLY 93 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ww3 s GLN 94 N -5.57 1.60 0.24 1.61 -2.07 -1.26 -4.46 119.66 109.74 2ww3 s GLN 94 Ca 0.33 -0.34 -0.09 0.00 -1.82 0.00 0.00 55.36 53.44 2ww3 s GLN 94 Cb -0.09 -1.46 -0.01 0.00 -1.09 0.00 0.00 33.01 30.36 2ww3 s GLN 94 CO 0.82 -0.09 0.38 -0.59 -1.32 0.00 0.00 175.29 174.48 2ww3 s PHE 95 N 1.09 0.62 0.16 9.60 -0.71 -1.22 -4.54 117.98 122.97 2ww3 s PHE 95 Ca -0.07 -0.94 -0.07 0.00 -1.04 0.00 0.00 56.93 54.81 2ww3 s PHE 95 Cb -0.14 -0.04 -0.01 0.00 -1.21 0.00 0.00 43.02 41.61 2ww3 s PHE 95 CO -0.01 -0.89 0.24 -1.54 -1.34 0.00 0.00 175.22 171.68 2ww3 s SER 96 N -3.07 0.09 0.03 1.98 1.04 -0.02 -1.09 113.70 112.67 2ww3 s SER 96 Ca 0.28 -0.94 0.03 0.00 0.48 0.00 0.00 55.95 55.80 2ww3 s SER 96 Cb 0.02 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 2ww3 s SER 96 CO 0.10 -0.86 -0.10 -0.51 0.98 0.00 0.00 173.24 172.85 2ww3 s ILE 97 N -3.98 0.75 -0.18 -1.02 2.07 -0.70 -0.33 121.20 117.81 2ww3 s ILE 97 Ca 0.19 -0.91 -0.06 0.00 -1.41 0.00 0.00 60.65 58.46 2ww3 s ILE 97 Cb 0.04 -0.73 0.08 0.00 0.13 0.00 0.00 42.46 41.98 2ww3 s ILE 97 CO 0.00 -0.15 0.36 -0.32 -1.91 0.00 0.00 174.94 172.93 2ww3 s MET 98 N -1.17 0.26 0.28 3.50 -2.45 0.13 -1.00 119.30 118.85 2ww3 s MET 98 Ca -0.03 0.90 -0.24 0.00 -1.25 0.00 0.00 55.69 55.07 2ww3 s MET 98 Cb -0.08 0.14 -0.09 0.00 1.25 0.00 0.00 34.83 36.05 2ww3 s MET 98 CO 0.01 -0.29 0.86 -1.25 1.05 0.00 0.00 175.02 175.40 2ww3 s PRO 99 N 2.54 4.45 0.06 4.11 0.04 -1.26 -0.85 135.00 144.08 2ww3 s PRO 99 Ca 0.00 1.15 -0.08 0.00 0.04 0.00 0.00 61.00 62.11 2ww3 s PRO 99 Cb -0.12 -2.83 -0.00 0.00 0.04 0.00 0.00 34.50 31.58 2ww3 s PRO 99 CO -0.11 0.33 0.16 0.96 0.04 0.00 0.00 177.00 178.37 2ww3 s ILE 100 N -1.58 0.13 0.24 0.56 -4.36 -0.53 -4.97 121.20 110.70 2ww3 s ILE 100 Ca 0.47 -1.10 0.10 0.00 -0.26 0.00 0.00 60.65 59.86 2ww3 s ILE 100 Cb -0.18 -1.09 -0.05 0.00 1.25 0.00 0.00 42.46 42.39 2ww3 s ILE 100 CO 0.23 -0.60 -0.17 0.68 0.24 0.00 0.00 174.94 175.31 2ww3 s VAL 101 N -3.11 2.08 0.00 8.37 -7.23 -1.26 -0.67 120.40 118.59 2ww3 s VAL 101 Ca -0.01 -2.29 0.00 0.00 -1.81 0.00 0.00 61.98 57.87 2ww3 s VAL 101 Cb 0.02 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.80 2ww3 s VAL 101 CO -0.07 -0.49 0.00 0.61 -0.31 0.00 0.00 175.10 174.84 2ww3 n GLY 102 N -0.46 1.05 3.74 2.32 0.00 0.63 -4.94 105.19 107.53 2ww3 n GLY 102 Ca -0.07 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 2ww3 n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ww3 s GLN 103 N 0.00 4.17 -0.54 1.61 -1.52 -1.26 -4.74 119.66 117.38 2ww3 s GLN 103 Ca 0.00 -0.14 -0.26 0.00 -1.95 0.00 0.00 55.36 53.01 2ww3 s GLN 103 Cb 0.00 -3.41 -0.04 0.00 -0.22 0.00 0.00 33.01 29.34 2ww3 s GLN 103 CO 0.00 0.31 2.09 -1.25 -0.25 0.00 0.00 175.29 176.19 2ww3 s PRO 104 N 0.32 2.45 -0.06 2.91 0.04 -1.26 -4.93 135.00 134.46 2ww3 s PRO 104 Ca 0.10 1.00 0.06 0.00 0.04 0.00 0.00 61.00 62.21 2ww3 s PRO 104 Cb -0.12 -4.46 -0.01 0.00 0.04 0.00 0.00 34.50 29.95 2ww3 s PRO 104 CO -0.00 -2.91 -0.25 0.14 0.04 0.00 0.00 177.00 174.02 2ww3 s VAL 105 N 10.28 2.09 -0.08 -0.36 -7.23 -1.26 -5.01 120.40 118.83 2ww3 s VAL 105 Ca 0.81 -1.05 0.05 0.00 -1.81 0.00 0.00 61.98 59.98 2ww3 s VAL 105 Cb -0.15 -1.76 -0.24 0.00 0.56 0.00 0.00 36.38 34.78 2ww3 s VAL 105 CO 0.24 0.57 0.53 0.33 -0.31 0.00 0.00 175.10 176.45 2ww3 n PHE 106 N 3.02 1.07 -1.55 2.82 7.35 -1.26 -4.61 117.46 124.29 2ww3 n PHE 106 Ca -0.18 0.31 -0.54 0.00 -0.76 0.00 0.00 57.45 56.29 2ww3 n PHE 106 Cb 0.52 -1.17 -0.06 0.00 0.35 0.00 0.00 39.48 39.11 2ww3 n PHE 106 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2ww3 n ASP 107 N -3.21 0.98 0.24 -2.13 -0.08 -1.26 -4.78 116.55 106.32 2ww3 n ASP 107 Ca -0.23 1.14 0.10 0.00 -1.51 0.00 0.00 54.79 54.28 2ww3 n ASP 107 Cb 1.05 -1.09 0.61 0.00 2.34 0.00 0.00 41.12 44.03 2ww3 n ASP 107 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2ww3 h GLU 108 N 3.83 0.00 0.07 -0.67 4.11 -1.93 -0.25 114.58 119.75 2ww3 h GLU 108 Ca -0.48 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.78 2ww3 h GLU 108 Cb 1.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.62 2ww3 h GLU 108 CO 0.72 0.18 -0.86 0.93 0.07 0.00 0.00 179.01 180.04 2ww3 h GLU 109 N 0.00 0.15 -0.21 1.06 5.08 -1.95 -3.34 114.58 115.38 2ww3 h GLU 109 Ca -0.00 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 2ww3 h GLU 109 Cb 0.41 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2ww3 h GLU 109 CO 0.02 1.12 -0.07 0.87 -1.00 0.00 0.00 179.01 179.95 2ww3 h LYS 110 N -0.62 0.32 -0.00 2.33 1.57 -1.81 -2.57 116.57 115.79 2ww3 h LYS 110 Ca -0.19 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2ww3 h LYS 110 Cb 1.45 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.71 2ww3 h LYS 110 CO 0.02 0.41 -0.17 2.89 -0.57 0.00 0.00 179.45 182.03 2ww3 n ARG 111 N -4.29 0.42 -1.31 3.15 1.85 -0.14 -4.96 116.66 111.38 2ww3 n ARG 111 Ca -0.00 -0.15 -0.32 0.00 -1.00 0.00 0.00 57.85 56.38 2ww3 n ARG 111 Cb 0.25 -1.50 0.09 0.00 -1.05 0.00 0.00 32.46 30.25 2ww3 n ARG 111 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ww3 s ALA 112 N -2.68 2.17 -0.02 2.89 0.00 -0.97 -4.92 121.76 118.23 2ww3 s ALA 112 Ca 0.22 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.64 2ww3 s ALA 112 Cb 0.19 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 20.00 2ww3 s ALA 112 CO 0.53 -1.82 -0.00 0.45 0.00 0.00 0.00 175.76 174.92 2ww3 s SER 113 N -2.93 0.38 0.50 0.00 0.15 0.12 -4.93 113.70 107.00 2ww3 s SER 113 Ca 0.65 -0.03 -0.20 0.00 0.70 0.00 0.00 55.95 57.07 2ww3 s SER 113 Cb -0.20 -0.19 -0.11 0.00 -1.71 0.00 0.00 66.02 63.81 2ww3 s SER 113 CO 0.51 -0.08 0.47 0.79 1.20 0.00 0.00 173.24 176.13 2ww3 n TRP 114 N 3.96 -0.83 -3.90 3.44 7.02 -1.26 -0.96 117.44 124.92 2ww3 n TRP 114 Ca -0.25 0.51 -0.08 0.00 -1.02 0.00 0.00 57.50 56.66 2ww3 n TRP 114 Cb 0.52 -1.94 -0.03 0.00 -2.42 0.00 0.00 31.31 27.44 2ww3 n TRP 114 CO 0.00 0.00 0.00 -0.59 -2.02 0.00 0.00 177.69 175.08 2ww3 s PHE 115 N -1.65 0.01 0.10 -5.99 -0.71 -0.57 -1.32 117.98 107.86 2ww3 s PHE 115 Ca 0.65 -0.45 0.03 0.00 -1.04 0.00 0.00 56.93 56.11 2ww3 s PHE 115 Cb -0.52 0.57 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 2ww3 s PHE 115 CO 0.57 -1.20 -0.08 0.00 -1.34 0.00 0.00 175.22 173.17 2ww3 s ALA 116 N -3.79 1.04 0.20 1.99 0.00 -1.26 -4.77 121.76 115.16 2ww3 s ALA 116 Ca 0.15 -1.29 0.31 0.00 0.00 0.00 0.00 51.96 51.13 2ww3 s ALA 116 Cb -0.04 0.11 1.34 0.00 0.00 0.00 0.00 23.12 24.52 2ww3 s ALA 116 CO 0.08 -0.16 1.98 0.45 0.00 0.00 0.00 175.76 178.12 2ww3 h HIS 117 N 3.18 0.00 0.00 0.00 3.86 -1.95 0.57 115.15 120.81 2ww3 h HIS 117 Ca -0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 2ww3 h HIS 117 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 2ww3 h HIS 117 CO 0.61 0.08 0.00 1.63 0.86 0.00 0.00 177.93 181.11 2ww3 n LYS 118 N -3.25 0.10 -0.46 2.45 5.02 -1.26 -1.75 118.16 119.01 2ww3 n LYS 118 Ca -0.00 0.08 0.08 0.00 -2.02 0.00 0.00 58.31 56.46 2ww3 n LYS 118 Cb 0.31 -1.50 0.29 0.00 -0.02 0.00 0.00 35.03 34.11 2ww3 n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ww3 n GLY 119 N 0.88 2.99 3.17 0.72 0.00 0.18 -4.98 105.19 108.15 2ww3 n GLY 119 Ca 0.07 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 2ww3 n GLY 119 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ww3 s GLU 120 N -1.77 1.81 -0.21 1.61 2.12 -0.72 -1.66 118.70 119.88 2ww3 s GLU 120 Ca 0.42 -0.67 0.01 0.00 0.36 0.00 0.00 54.97 55.09 2ww3 s GLU 120 Cb 0.27 -1.62 0.04 0.00 0.26 0.00 0.00 34.13 33.09 2ww3 s GLU 120 CO 0.20 0.32 -0.10 0.08 -0.54 0.00 0.00 175.26 175.21 2ww3 s VAL 121 N -0.14 1.71 -0.27 3.70 1.01 -0.16 -4.94 120.40 121.30 2ww3 s VAL 121 Ca -0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 60.86 2ww3 s VAL 121 Cb -0.11 -1.79 0.03 0.00 0.00 0.00 0.00 36.38 34.51 2ww3 s VAL 121 CO 0.01 0.14 -0.01 0.00 0.00 0.00 0.00 175.10 175.24 2ww3 s ALA 122 N 1.36 2.82 0.34 5.51 0.00 -1.26 -0.75 121.76 129.78 2ww3 s ALA 122 Ca -0.02 -1.51 0.08 0.00 0.00 0.00 0.00 51.96 50.51 2ww3 s ALA 122 Cb -0.17 -1.86 -0.07 0.00 0.00 0.00 0.00 23.12 21.03 2ww3 s ALA 122 CO -0.08 -0.92 -0.06 0.95 0.00 0.00 0.00 175.76 175.65 2ww3 s THR 123 N 1.36 1.96 0.34 0.00 -4.23 0.11 -4.39 115.64 110.78 2ww3 s THR 123 Ca -0.00 -2.13 0.29 0.00 -1.18 0.00 0.00 61.69 58.66 2ww3 s THR 123 Cb -0.17 -2.66 0.30 0.00 1.34 0.00 0.00 72.50 71.31 2ww3 s THR 123 CO -0.02 -0.18 2.03 1.55 -0.54 0.00 0.00 174.62 177.46 2ww3 h PRO 124 N 2.06 0.00 -0.01 3.99 0.13 -1.88 -3.09 132.00 133.20 2ww3 h PRO 124 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2ww3 h PRO 124 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2ww3 h PRO 124 CO 0.71 0.12 -0.36 2.48 -0.23 0.00 0.00 178.00 180.72 2ww3 n TYR 125 N -3.48 0.00 -3.64 1.56 4.11 -1.26 -1.41 117.16 113.04 2ww3 n TYR 125 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.81 2ww3 n TYR 125 Cb 0.28 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.55 2ww3 n TYR 125 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 2ww3 s TYR 126 N -1.93 -0.78 -0.05 -3.48 5.04 -1.17 -4.26 117.35 110.72 2ww3 s TYR 126 Ca 0.13 1.68 0.02 0.00 -2.44 0.00 0.00 57.07 56.46 2ww3 s TYR 126 Cb 0.13 0.44 0.01 0.00 0.35 0.00 0.00 41.96 42.89 2ww3 s TYR 126 CO 0.42 -0.38 -0.10 -0.47 -1.34 0.00 0.00 175.55 173.68 2ww3 s TYR 127 N 1.04 1.15 0.05 4.97 5.04 -0.78 -0.71 117.35 128.11 2ww3 s TYR 127 Ca -0.05 -0.36 0.05 0.00 -2.44 0.00 0.00 57.07 54.27 2ww3 s TYR 127 Cb -0.05 -0.86 -0.02 0.00 0.35 0.00 0.00 41.96 41.38 2ww3 s TYR 127 CO -0.12 -0.20 -0.14 0.21 -1.34 0.00 0.00 175.55 173.96 2ww3 s LYS 128 N 0.55 0.90 -0.13 4.97 2.20 0.07 -1.15 119.74 127.16 2ww3 s LYS 128 Ca -0.10 -0.84 -0.24 0.00 -0.36 0.00 0.00 55.97 54.43 2ww3 s LYS 128 Cb -0.13 -0.92 0.06 0.00 -1.51 0.00 0.00 37.83 35.32 2ww3 s LYS 128 CO 0.02 0.22 0.59 0.54 -0.36 0.00 0.00 175.35 176.35 2ww3 s VAL 129 N -1.01 0.01 -0.34 4.02 0.11 -0.41 -0.99 120.40 121.79 2ww3 s VAL 129 Ca 0.00 -0.07 -0.17 0.00 -2.93 0.00 0.00 61.98 58.81 2ww3 s VAL 129 Cb -0.09 -0.86 -0.01 0.00 -1.53 0.00 0.00 36.38 33.89 2ww3 s VAL 129 CO 0.02 -0.04 0.47 -0.47 -3.33 0.00 0.00 175.10 171.75 2ww3 s TYR 130 N -0.48 3.20 -0.71 1.54 5.04 -0.67 -1.40 117.35 123.87 2ww3 s TYR 130 Ca -0.06 0.19 -0.25 0.00 -2.44 0.00 0.00 57.07 54.50 2ww3 s TYR 130 Cb -0.03 -2.84 0.05 0.00 0.35 0.00 0.00 41.96 39.49 2ww3 s TYR 130 CO 0.05 -0.48 1.16 -0.51 -1.34 0.00 0.00 175.55 174.43 2ww3 s LEU 131 N 2.29 3.64 0.51 6.97 1.43 0.68 -4.57 118.68 129.64 2ww3 s LEU 131 Ca 0.17 -0.67 0.23 0.00 -1.03 0.00 0.00 54.13 52.83 2ww3 s LEU 131 Cb -0.16 -2.50 1.35 0.00 0.03 0.00 0.00 46.19 44.90 2ww3 s LEU 131 CO 0.12 -1.68 2.07 0.00 0.23 0.00 0.00 176.35 177.10 2ww3 h ALA 132 N 9.85 1.48 0.00 4.21 0.00 -1.48 -1.31 119.26 132.00 2ww3 h ALA 132 Ca -0.28 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2ww3 h ALA 132 Cb 1.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2ww3 h ALA 132 CO 1.24 0.15 -0.81 0.39 0.00 0.00 0.00 179.25 180.22 2ww3 n GLU 133 N -3.93 0.32 0.00 0.00 1.02 -1.26 -3.75 120.64 113.04 2ww3 n GLU 133 Ca -0.02 0.05 0.09 0.00 -0.02 0.00 0.00 57.16 57.26 2ww3 n GLU 133 Cb 0.21 -1.66 0.02 0.00 -0.02 0.00 0.00 31.44 29.99 2ww3 n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2ww3 n HIS 134 N -2.10 0.00 -3.81 -0.32 8.25 -0.99 -4.93 115.22 111.32 2ww3 n HIS 134 Ca 0.02 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.23 2ww3 n HIS 134 Cb 0.45 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.58 2ww3 n HIS 134 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2ww3 n ASP 135 N 0.20 -2.40 -4.12 0.41 2.03 -0.53 -4.65 116.55 107.48 2ww3 n ASP 135 Ca 0.09 -0.83 -0.27 0.00 0.52 0.00 0.00 54.79 54.30 2ww3 n ASP 135 Cb 0.41 -3.87 -0.16 0.00 -0.72 0.00 0.00 41.12 36.78 2ww3 n ASP 135 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ww3 s ILE 136 N -3.56 1.47 -0.13 5.18 1.01 -1.10 -3.55 121.20 120.51 2ww3 s ILE 136 Ca 0.25 -0.71 -0.15 0.00 0.00 0.00 0.00 60.65 60.03 2ww3 s ILE 136 Cb -0.13 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 41.02 2ww3 s ILE 136 CO 0.83 0.43 0.37 -0.69 0.00 0.00 0.00 174.94 175.87 2ww3 s VAL 137 N 0.24 5.25 -0.10 2.92 1.01 -0.81 -0.23 120.40 128.67 2ww3 s VAL 137 Ca -0.09 0.72 0.02 0.00 0.00 0.00 0.00 61.98 62.63 2ww3 s VAL 137 Cb -0.14 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 2ww3 s VAL 137 CO 0.04 0.38 -0.16 -0.89 0.00 0.00 0.00 175.10 174.47 2ww3 s THR 138 N 0.43 2.84 0.01 3.92 2.01 -0.49 -0.67 115.64 123.69 2ww3 s THR 138 Ca 0.21 -0.76 0.06 0.00 0.31 0.00 0.00 61.69 61.50 2ww3 s THR 138 Cb -0.14 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 2ww3 s THR 138 CO 0.07 0.55 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.76 2ww3 s GLU 139 N 0.01 1.32 0.00 4.92 2.02 -0.37 -1.29 118.70 125.31 2ww3 s GLU 139 Ca -0.05 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.24 2ww3 s GLU 139 Cb -0.14 -1.32 -0.00 0.00 0.10 0.00 0.00 34.13 32.76 2ww3 s GLU 139 CO 0.04 0.35 -0.02 0.00 0.02 0.00 0.00 175.26 175.66 2ww3 s MET 140 N -0.67 0.13 -0.14 1.61 0.23 -0.30 -0.94 119.30 119.23 2ww3 s MET 140 Ca 0.06 -0.14 -0.02 0.00 -1.03 0.00 0.00 55.69 54.56 2ww3 s MET 140 Cb -0.07 -0.07 0.04 0.00 -1.53 0.00 0.00 34.83 33.20 2ww3 s MET 140 CO 0.00 0.01 -0.01 0.95 -2.03 0.00 0.00 175.02 173.95 2ww3 s THR 141 N -0.27 0.68 0.46 3.16 -4.23 -0.67 -1.87 115.64 112.89 2ww3 s THR 141 Ca -0.02 -0.35 -0.06 0.00 -1.18 0.00 0.00 61.69 60.08 2ww3 s THR 141 Cb -0.02 -0.95 -0.04 0.00 1.34 0.00 0.00 72.50 72.83 2ww3 s THR 141 CO -0.00 0.07 0.77 -2.16 -0.54 0.00 0.00 174.62 172.76 2ww3 s PRO 142 N 1.82 3.57 0.00 3.99 0.04 -1.26 -1.56 135.00 141.60 2ww3 s PRO 142 Ca 0.02 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.27 2ww3 s PRO 142 Cb -0.15 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.00 2ww3 s PRO 142 CO -0.07 -0.16 0.00 0.25 0.04 0.00 0.00 177.00 177.06 2ww3 n THR 143 N -2.07 0.00 -0.34 1.26 -2.24 0.78 -4.71 114.28 106.95 2ww3 n THR 143 Ca 0.01 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 2ww3 n THR 143 Cb 0.55 -0.42 0.09 0.00 -2.10 0.00 0.00 70.33 68.45 2ww3 n THR 143 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2ww3 h GLU 144 N 0.00 1.26 0.00 -0.78 5.08 -1.93 -3.34 114.58 114.87 2ww3 h GLU 144 Ca 0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2ww3 h GLU 144 Cb 0.00 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 28.99 2ww3 h GLU 144 CO 0.00 0.89 0.00 0.54 -1.00 0.00 0.00 179.01 179.44 2ww3 n ARG 145 N -4.36 3.30 -4.41 2.33 1.74 -1.26 -1.49 116.66 112.51 2ww3 n ARG 145 Ca 0.10 -0.11 -0.25 0.00 -0.77 0.00 0.00 57.85 56.82 2ww3 n ARG 145 Cb 0.07 -0.52 -0.07 0.00 -1.02 0.00 0.00 32.46 30.92 2ww3 n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ww3 n ALA 146 N -0.50 0.58 -3.57 7.54 0.00 -1.25 -3.29 120.51 120.02 2ww3 n ALA 146 Ca 0.00 -2.08 -0.15 0.00 0.00 0.00 0.00 53.44 51.21 2ww3 n ALA 146 Cb 0.02 1.42 -0.06 0.00 0.00 0.00 0.00 19.45 20.82 2ww3 n ALA 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ww3 s VAL 147 N -3.11 0.00 -0.20 0.00 0.11 0.37 -0.15 120.40 117.41 2ww3 s VAL 147 Ca 0.22 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.20 2ww3 s VAL 147 Cb 0.01 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.83 2ww3 s VAL 147 CO 0.15 0.00 0.05 -0.22 -3.33 0.00 0.00 175.10 171.75 2ww3 s LEU 148 N -0.58 3.54 -0.11 2.54 2.96 -0.60 -1.26 118.68 125.17 2ww3 s LEU 148 Ca -0.05 -0.08 -0.09 0.00 -0.22 0.00 0.00 54.13 53.69 2ww3 s LEU 148 Cb -0.02 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 2ww3 s LEU 148 CO 0.05 0.09 0.19 -0.36 -1.32 0.00 0.00 176.35 175.00 2ww3 s PHE 149 N 0.89 3.60 -0.19 5.38 0.40 0.21 -1.67 117.98 126.59 2ww3 s PHE 149 Ca 0.03 0.60 0.01 0.00 -0.60 0.00 0.00 56.93 56.96 2ww3 s PHE 149 Cb -0.14 -2.04 0.04 0.00 0.51 0.00 0.00 43.02 41.39 2ww3 s PHE 149 CO 0.02 0.66 -0.11 0.50 0.70 0.00 0.00 175.22 177.00 2ww3 s ARG 150 N -0.84 2.04 -0.23 0.44 3.52 -0.11 -0.99 118.95 122.78 2ww3 s ARG 150 Ca 0.16 -0.79 -0.12 0.00 -0.13 0.00 0.00 55.73 54.86 2ww3 s ARG 150 Cb -0.13 -2.35 -0.05 0.00 -1.56 0.00 0.00 34.95 30.86 2ww3 s ARG 150 CO 0.05 -0.40 0.22 -0.06 -0.81 0.00 0.00 175.30 174.30 2ww3 s PHE 151 N 1.42 3.33 -0.45 5.12 0.40 0.14 -1.23 117.98 126.71 2ww3 s PHE 151 Ca -0.00 0.32 -0.14 0.00 -0.60 0.00 0.00 56.93 56.50 2ww3 s PHE 151 Cb -0.16 -2.34 0.06 0.00 0.51 0.00 0.00 43.02 41.10 2ww3 s PHE 151 CO -0.09 0.04 0.35 0.99 0.70 0.00 0.00 175.22 177.22 2ww3 s THR 152 N 1.14 5.08 0.32 0.64 2.01 0.16 -0.57 115.64 124.42 2ww3 s THR 152 Ca 0.10 -1.03 -0.07 0.00 0.31 0.00 0.00 61.69 61.01 2ww3 s THR 152 Cb -0.14 -4.00 -0.06 0.00 0.01 0.00 0.00 72.50 68.32 2ww3 s THR 152 CO 0.05 -0.51 0.62 -0.36 -0.69 0.00 0.00 174.62 173.73 2ww3 s PHE 153 N 1.62 3.47 0.92 4.92 0.08 -0.33 -1.93 117.98 126.73 2ww3 s PHE 153 Ca 0.04 0.79 -0.15 0.00 0.12 0.00 0.00 56.93 57.73 2ww3 s PHE 153 Cb -0.23 -2.22 0.18 0.00 -0.57 0.00 0.00 43.02 40.18 2ww3 s PHE 153 CO 0.07 0.10 1.28 -1.25 -0.10 0.00 0.00 175.22 175.32 2ww3 s PRO 154 N -3.56 0.91 -0.00 0.24 0.04 -1.23 -1.00 135.00 130.39 2ww3 s PRO 154 Ca 0.46 -0.37 -0.30 0.00 0.04 0.00 0.00 61.00 60.83 2ww3 s PRO 154 Cb -0.11 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.49 2ww3 s PRO 154 CO 0.29 -2.23 1.45 -2.00 0.04 0.00 0.00 177.00 174.56 2ww3 s GLU 155 N -5.80 4.26 -0.27 4.56 2.12 -1.25 -4.39 118.70 117.94 2ww3 s GLU 155 Ca 0.72 2.02 -0.27 0.00 0.36 0.00 0.00 54.97 57.80 2ww3 s GLU 155 Cb -0.05 -3.63 0.16 0.00 0.26 0.00 0.00 34.13 30.87 2ww3 s GLU 155 CO 0.52 -0.63 1.22 1.21 -0.54 0.00 0.00 175.26 177.04 2ww3 s ASN 156 N 2.10 -0.23 0.30 -1.70 3.84 -0.40 -4.91 114.94 113.96 2ww3 s ASN 156 Ca 0.66 0.37 0.20 0.00 0.21 0.00 0.00 52.86 54.30 2ww3 s ASN 156 Cb -0.32 0.36 0.14 0.00 -0.55 0.00 0.00 41.25 40.88 2ww3 s ASN 156 CO 0.27 -0.12 1.36 0.44 -2.79 0.00 0.00 177.10 176.26 2ww3 h ASP 157 N 3.15 0.00 -3.17 -4.21 3.32 -1.88 -0.45 116.42 113.18 2ww3 h ASP 157 Ca -0.22 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.21 2ww3 h ASP 157 Cb 1.18 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.32 2ww3 h ASP 157 CO 0.19 0.20 -0.66 -1.00 -1.72 0.00 0.00 179.24 176.25 2ww3 s HIS 158 N -3.14 2.95 0.02 4.55 3.76 -1.26 -4.17 115.29 117.99 2ww3 s HIS 158 Ca 0.03 -3.06 0.02 0.00 -0.15 0.00 0.00 55.06 51.90 2ww3 s HIS 158 Cb 0.07 -2.34 -0.04 0.00 1.11 0.00 0.00 32.58 31.38 2ww3 s HIS 158 CO 0.73 -0.64 0.01 -1.12 -0.85 0.00 0.00 174.74 172.87 2ww3 s SER 159 N -0.89 5.13 0.07 1.40 0.01 -0.76 -0.27 113.70 118.40 2ww3 s SER 159 Ca 0.25 -0.03 -0.06 0.00 1.31 0.00 0.00 55.95 57.41 2ww3 s SER 159 Cb -0.08 -1.33 -0.01 0.00 0.21 0.00 0.00 66.02 64.81 2ww3 s SER 159 CO -0.13 0.26 0.11 -0.31 0.41 0.00 0.00 173.24 173.58 2ww3 s TYR 160 N -1.14 0.27 -0.11 2.43 1.51 0.16 -1.32 117.35 119.15 2ww3 s TYR 160 Ca 0.21 -0.73 0.01 0.00 -1.01 0.00 0.00 57.07 55.55 2ww3 s TYR 160 Cb -0.12 -0.17 0.02 0.00 -0.11 0.00 0.00 41.96 41.58 2ww3 s TYR 160 CO 0.12 -0.48 -0.14 0.08 -1.11 0.00 0.00 175.55 174.03 2ww3 s VAL 161 N -3.77 1.41 -0.13 0.71 1.01 0.28 -1.45 120.40 118.45 2ww3 s VAL 161 Ca 0.05 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 2ww3 s VAL 161 Cb 0.05 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 2ww3 s VAL 161 CO -0.10 0.42 0.51 -0.69 0.00 0.00 0.00 175.10 175.24 2ww3 s VAL 162 N 1.14 5.16 -0.15 2.92 1.01 -0.03 -1.65 120.40 128.80 2ww3 s VAL 162 Ca -0.04 1.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.92 2ww3 s VAL 162 Cb -0.14 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2ww3 s VAL 162 CO -0.04 0.28 -0.08 -0.69 0.00 0.00 0.00 175.10 174.58 2ww3 s VAL 163 N 0.87 3.49 -0.23 2.92 1.01 0.29 -0.69 120.40 128.06 2ww3 s VAL 163 Ca 0.27 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.74 2ww3 s VAL 163 Cb -0.15 -2.51 0.06 0.00 0.00 0.00 0.00 36.38 33.78 2ww3 s VAL 163 CO 0.11 0.50 -0.01 -0.62 0.00 0.00 0.00 175.10 175.08 2ww3 s ASP 164 N 0.41 3.64 0.00 3.32 -1.08 0.55 -1.03 116.67 122.48 2ww3 s ASP 164 Ca -0.07 -1.15 0.17 0.00 -0.52 0.00 0.00 52.55 50.99 2ww3 s ASP 164 Cb -0.15 -1.01 0.69 0.00 -1.46 0.00 0.00 42.92 40.99 2ww3 s ASP 164 CO 0.04 -0.27 1.49 0.00 0.52 0.00 0.00 175.17 176.95 2ww3 n ALA 165 N 4.77 2.52 -0.92 3.66 0.00 -0.81 -0.84 120.51 128.89 2ww3 n ALA 165 Ca -0.10 -0.43 0.12 0.00 0.00 0.00 0.00 53.44 53.03 2ww3 n ALA 165 Cb 0.45 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 2ww3 n ALA 165 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2ww3 n PHE 166 N 0.10 -2.34 -2.86 0.00 3.01 -1.26 -4.57 117.46 109.54 2ww3 n PHE 166 Ca 0.14 1.19 0.00 0.00 1.01 0.00 0.00 57.45 59.79 2ww3 n PHE 166 Cb 0.25 -2.13 0.00 0.00 -0.01 0.00 0.00 39.48 37.59 2ww3 n PHE 166 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2ww3 n ASP 167 N -3.26 0.77 -0.54 4.37 5.75 -1.26 -3.85 116.55 118.53 2ww3 n ASP 167 Ca -0.00 -0.47 -0.07 0.00 -0.01 0.00 0.00 54.79 54.23 2ww3 n ASP 167 Cb 0.42 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.48 2ww3 n ASP 167 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2ww3 n LYS 168 N -0.29 -0.69 0.00 0.11 4.76 -0.95 -3.58 118.16 117.52 2ww3 n LYS 168 Ca 0.00 0.68 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 2ww3 n LYS 168 Cb 0.00 -4.52 0.00 0.00 -1.84 0.00 0.00 35.03 28.67 2ww3 n LYS 168 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ww3 n GLY 169 N -1.72 1.25 3.27 0.72 0.00 -0.01 -4.71 105.19 103.99 2ww3 n GLY 169 Ca -0.07 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.01 2ww3 n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ww3 s SER 170 N 0.00 1.07 0.01 1.61 1.04 0.49 -3.35 113.70 114.57 2ww3 s SER 170 Ca 0.00 -1.60 0.01 0.00 0.48 0.00 0.00 55.95 54.83 2ww3 s SER 170 Cb 0.00 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.61 2ww3 s SER 170 CO 0.00 -1.00 -0.03 -0.47 0.98 0.00 0.00 173.24 172.73 2ww3 s TYR 171 N -3.69 0.23 -0.04 5.02 5.04 -0.26 -2.25 117.35 121.40 2ww3 s TYR 171 Ca 0.39 -0.19 -0.10 0.00 -2.44 0.00 0.00 57.07 54.73 2ww3 s TYR 171 Cb 0.04 -0.15 0.02 0.00 0.35 0.00 0.00 41.96 42.21 2ww3 s TYR 171 CO 0.21 -0.05 0.23 -1.50 -1.34 0.00 0.00 175.55 173.10 2ww3 s ILE 172 N -0.51 0.05 -0.17 3.14 1.10 -0.56 -1.44 121.20 122.81 2ww3 s ILE 172 Ca -0.04 -0.38 -0.06 0.00 -0.51 0.00 0.00 60.65 59.66 2ww3 s ILE 172 Cb -0.04 -0.46 0.08 0.00 0.15 0.00 0.00 42.46 42.19 2ww3 s ILE 172 CO -0.00 -0.21 0.34 -0.75 -2.11 0.00 0.00 174.94 172.21 2ww3 s LYS 173 N -0.83 0.24 -0.09 3.50 2.20 -0.04 -0.67 119.74 124.05 2ww3 s LYS 173 Ca -0.09 0.87 -0.21 0.00 -0.36 0.00 0.00 55.97 56.17 2ww3 s LYS 173 Cb -0.05 0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.33 2ww3 s LYS 173 CO 0.02 -0.29 0.60 0.42 -0.36 0.00 0.00 175.35 175.74 2ww3 s ILE 174 N 2.52 5.10 -0.68 5.43 1.01 0.37 -1.35 121.20 133.60 2ww3 s ILE 174 Ca 0.00 1.23 0.05 0.00 0.00 0.00 0.00 60.65 61.93 2ww3 s ILE 174 Cb -0.12 -3.94 0.17 0.00 0.01 0.00 0.00 42.46 38.58 2ww3 s ILE 174 CO -0.11 0.29 0.48 -0.38 0.00 0.00 0.00 174.94 175.22 2ww3 n ILE 175 N 3.70 1.34 0.27 2.92 5.41 0.18 -4.86 119.36 128.31 2ww3 n ILE 175 Ca -0.04 -4.72 0.10 0.00 1.00 0.00 0.00 62.75 59.10 2ww3 n ILE 175 Cb 0.51 -2.13 0.72 0.00 -0.71 0.00 0.00 39.64 38.04 2ww3 n ILE 175 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 2ww3 h PRO 176 N 5.39 0.00 0.00 0.38 0.11 -1.96 -0.33 132.00 135.59 2ww3 h PRO 176 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2ww3 h PRO 176 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2ww3 h PRO 176 CO 0.68 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.52 2ww3 h GLU 177 N 0.00 0.00 -0.22 1.05 9.09 -1.93 -2.06 114.58 120.51 2ww3 h GLU 177 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2ww3 h GLU 177 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 2ww3 h GLU 177 CO -0.00 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.45 2ww3 n GLU 178 N -2.95 2.90 -3.98 1.06 1.02 -0.16 -4.98 120.64 113.56 2ww3 n GLU 178 Ca -0.01 -1.89 -0.29 0.00 -0.02 0.00 0.00 57.16 54.95 2ww3 n GLU 178 Cb 0.16 -1.20 -0.00 0.00 -0.02 0.00 0.00 31.44 30.38 2ww3 n GLU 178 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2ww3 n ASN 179 N 0.12 -2.27 -3.90 1.62 3.02 -0.78 -4.73 115.26 108.34 2ww3 n ASN 179 Ca 0.08 -0.93 -0.14 0.00 -0.03 0.00 0.00 54.58 53.57 2ww3 n ASN 179 Cb 0.38 -3.32 -0.14 0.00 -0.61 0.00 0.00 39.78 36.09 2ww3 n ASN 179 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2ww3 s LYS 180 N -6.58 0.18 -0.10 3.52 2.20 -1.08 -1.20 119.74 116.67 2ww3 s LYS 180 Ca 0.35 -0.07 0.03 0.00 -0.36 0.00 0.00 55.97 55.92 2ww3 s LYS 180 Cb -0.18 -0.18 0.01 0.00 -1.51 0.00 0.00 37.83 35.96 2ww3 s LYS 180 CO 0.87 0.04 -0.21 0.42 -0.36 0.00 0.00 175.35 176.11 2ww3 s ILE 181 N -0.00 1.89 0.36 5.43 1.01 0.30 0.49 121.20 130.67 2ww3 s ILE 181 Ca 0.00 -0.91 0.09 0.00 0.00 0.00 0.00 60.65 59.84 2ww3 s ILE 181 Cb -0.01 -1.65 -0.07 0.00 0.01 0.00 0.00 42.46 40.73 2ww3 s ILE 181 CO -0.00 0.52 -0.07 0.27 0.00 0.00 0.00 174.94 175.66 2ww3 s ILE 182 N 0.54 2.18 0.00 2.92 -4.36 -0.46 0.23 121.20 122.25 2ww3 s ILE 182 Ca -0.15 -2.15 0.00 0.00 -0.26 0.00 0.00 60.65 58.09 2ww3 s ILE 182 Cb -0.17 -2.74 0.00 0.00 1.25 0.00 0.00 42.46 40.81 2ww3 s ILE 182 CO 0.05 -0.15 0.00 0.61 0.24 0.00 0.00 174.94 175.69 2ww3 n GLY 183 N -0.84 -0.14 3.11 6.27 0.00 -0.11 -0.86 105.19 112.62 2ww3 n GLY 183 Ca -0.05 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 2ww3 n GLY 183 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ww3 s TYR 184 N -2.00 0.76 0.08 1.61 -0.85 -0.52 0.07 117.35 116.51 2ww3 s TYR 184 Ca 0.00 -0.71 0.09 0.00 -0.52 0.00 0.00 57.07 55.94 2ww3 s TYR 184 Cb 0.00 -0.45 -0.03 0.00 0.38 0.00 0.00 41.96 41.86 2ww3 s TYR 184 CO 0.00 -0.12 -0.25 -0.08 -1.52 0.00 0.00 175.55 173.58 2ww3 s THR 185 N -2.48 2.03 0.00 -3.49 -1.32 -0.48 -1.11 115.64 108.79 2ww3 s THR 185 Ca 0.00 -1.52 0.00 0.00 -1.21 0.00 0.00 61.69 58.97 2ww3 s THR 185 Cb -0.02 -1.78 0.00 0.00 -1.51 0.00 0.00 72.50 69.19 2ww3 s THR 185 CO -0.02 0.17 0.00 0.35 -2.21 0.00 0.00 174.62 172.91 2ww3 n THR 186 N 1.36 0.00 -1.63 5.08 -2.24 -1.21 -0.39 114.28 115.25 2ww3 n THR 186 Ca -0.18 -0.20 -0.52 0.00 -2.27 0.00 0.00 64.05 60.89 2ww3 n THR 186 Cb 0.53 0.73 -0.06 0.00 -2.10 0.00 0.00 70.33 69.43 2ww3 n THR 186 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2ww3 n ARG 187 N -0.80 1.38 -4.16 -0.78 0.63 -1.23 -4.78 116.66 106.92 2ww3 n ARG 187 Ca 0.00 0.50 -0.17 0.00 -0.92 0.00 0.00 57.85 57.26 2ww3 n ARG 187 Cb 0.00 -2.19 -0.05 0.00 0.45 0.00 0.00 32.46 30.67 2ww3 n ARG 187 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2ww3 s ASN 188 N 1.44 1.23 -0.13 6.15 4.22 -1.26 -3.64 114.94 122.94 2ww3 s ASN 188 Ca 0.87 -1.60 0.19 0.00 -2.14 0.00 0.00 52.86 50.18 2ww3 s ASN 188 Cb -0.92 0.63 0.31 0.00 1.28 0.00 0.00 41.25 42.55 2ww3 s ASN 188 CO 0.50 -1.23 1.17 -1.20 -2.04 0.00 0.00 177.10 174.30 2ww3 n SER 189 N -1.51 2.46 0.00 3.54 7.64 -0.97 -4.95 113.62 119.83 2ww3 n SER 189 Ca 0.03 -3.09 0.00 0.00 1.01 0.00 0.00 58.87 56.82 2ww3 n SER 189 Cb 0.62 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 2ww3 n SER 189 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ww3 n GLY 190 N -1.37 0.83 2.32 0.23 0.00 -1.26 -5.02 105.19 100.92 2ww3 n GLY 190 Ca 0.16 -2.13 -0.15 0.00 0.00 0.00 0.00 46.02 43.90 2ww3 n GLY 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww3 n GLY 191 N 0.19 -0.23 3.27 -0.02 0.00 -1.26 -4.42 105.19 102.71 2ww3 n GLY 191 Ca 0.00 -0.26 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 2ww3 n GLY 191 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ww3 s VAL 192 N -2.76 1.52 0.81 1.61 -7.23 -1.26 -0.23 120.40 112.86 2ww3 s VAL 192 Ca 0.02 -1.69 -0.10 0.00 -1.81 0.00 0.00 61.98 58.40 2ww3 s VAL 192 Cb -0.01 -1.57 0.08 0.00 0.56 0.00 0.00 36.38 35.44 2ww3 s VAL 192 CO 0.03 -0.29 1.10 -2.84 -0.31 0.00 0.00 175.10 172.79 2ww3 s PRO 193 N -2.45 1.94 0.60 4.82 0.02 -1.26 -4.93 135.00 133.75 2ww3 s PRO 193 Ca 0.09 1.23 0.32 0.00 0.02 0.00 0.00 61.00 62.66 2ww3 s PRO 193 Cb -0.07 -1.86 1.90 0.00 0.02 0.00 0.00 34.50 34.50 2ww3 s PRO 193 CO 0.04 -1.89 2.25 0.93 -0.33 0.00 0.00 177.00 178.01 2ww3 h GLU 194 N -1.31 0.00 -0.61 5.54 5.08 -1.98 -2.20 114.58 119.10 2ww3 h GLU 194 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2ww3 h GLU 194 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2ww3 h GLU 194 CO 0.49 0.00 0.00 0.27 -1.00 0.00 0.00 179.01 178.77 2ww3 n ASN 195 N -3.70 3.61 -4.71 1.42 6.94 -1.26 -4.98 115.26 112.58 2ww3 n ASN 195 Ca -0.02 -2.24 -0.42 0.00 -0.02 0.00 0.00 54.58 51.88 2ww3 n ASN 195 Cb 0.12 -0.47 -0.03 0.00 -2.36 0.00 0.00 39.78 37.03 2ww3 n ASN 195 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2ww3 s PHE 196 N -1.61 2.65 -0.08 -2.53 5.36 -0.83 -5.03 117.98 115.91 2ww3 s PHE 196 Ca 0.40 0.29 -0.11 0.00 -0.96 0.00 0.00 56.93 56.55 2ww3 s PHE 196 Cb 0.24 -4.09 0.03 0.00 -0.34 0.00 0.00 43.02 38.86 2ww3 s PHE 196 CO 0.22 -4.24 0.29 0.15 -1.46 0.00 0.00 175.22 170.17 2ww3 s LYS 197 N 1.82 0.42 -0.32 10.12 1.02 -1.26 -4.75 119.74 126.79 2ww3 s LYS 197 Ca 0.76 0.23 -0.10 0.00 0.02 0.00 0.00 55.97 56.87 2ww3 s LYS 197 Cb -0.46 0.20 -0.01 0.00 -0.52 0.00 0.00 37.83 37.04 2ww3 s LYS 197 CO 0.33 -0.08 0.16 1.21 -0.92 0.00 0.00 175.35 176.06 2ww3 s ASN 198 N -0.26 5.61 -0.16 2.83 3.84 0.48 -4.62 114.94 122.66 2ww3 s ASN 198 Ca -0.04 -0.53 -0.22 0.00 0.21 0.00 0.00 52.86 52.29 2ww3 s ASN 198 Cb -0.03 -2.02 -0.03 0.00 -0.55 0.00 0.00 41.25 38.62 2ww3 s ASN 198 CO 0.01 -0.21 0.66 -0.31 -2.79 0.00 0.00 177.10 174.47 2ww3 s TYR 199 N 1.62 3.44 0.20 0.43 1.51 0.18 -1.38 117.35 123.35 2ww3 s TYR 199 Ca 0.05 1.04 0.08 0.00 -1.01 0.00 0.00 57.07 57.22 2ww3 s TYR 199 Cb -0.17 -2.81 -0.05 0.00 -0.11 0.00 0.00 41.96 38.83 2ww3 s TYR 199 CO 0.07 -0.09 -0.14 -0.59 -1.11 0.00 0.00 175.55 173.68 2ww3 s PHE 200 N 1.58 1.70 -0.03 2.71 -0.12 0.11 -0.21 117.98 123.72 2ww3 s PHE 200 Ca 0.32 -0.57 -0.02 0.00 -0.05 0.00 0.00 56.93 56.60 2ww3 s PHE 200 Cb -0.16 -0.79 0.01 0.00 -0.63 0.00 0.00 43.02 41.44 2ww3 s PHE 200 CO 0.12 0.35 0.07 0.42 -0.05 0.00 0.00 175.22 176.14 2ww3 s ILE 201 N -2.95 -0.00 -0.07 -4.49 1.01 -0.39 -0.93 121.20 113.37 2ww3 s ILE 201 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.87 2ww3 s ILE 201 Cb -0.01 -0.11 0.03 0.00 0.01 0.00 0.00 42.46 42.38 2ww3 s ILE 201 CO 0.07 0.01 -0.00 -0.63 0.00 0.00 0.00 174.94 174.38 2ww3 s ILE 202 N 0.11 0.38 -0.14 2.92 1.01 0.14 -1.91 121.20 123.69 2ww3 s ILE 202 Ca -0.01 0.11 -0.00 0.00 0.00 0.00 0.00 60.65 60.75 2ww3 s ILE 202 Cb -0.01 -0.52 -0.01 0.00 0.01 0.00 0.00 42.46 41.92 2ww3 s ILE 202 CO -0.00 0.26 -0.13 -1.61 0.00 0.00 0.00 174.94 173.45 2ww3 s GLU 203 N 1.89 3.34 0.10 2.79 2.02 0.38 -0.54 118.70 128.68 2ww3 s GLU 203 Ca 0.04 -0.70 0.02 0.00 0.02 0.00 0.00 54.97 54.35 2ww3 s GLU 203 Cb -0.12 -2.65 -0.04 0.00 0.10 0.00 0.00 34.13 31.42 2ww3 s GLU 203 CO -0.05 0.13 0.18 -0.06 0.02 0.00 0.00 175.26 175.49 2ww3 s PHE 204 N 0.55 3.37 -2.23 1.61 0.40 -0.34 -0.35 117.98 121.00 2ww3 s PHE 204 Ca -0.08 0.14 0.23 0.00 -0.60 0.00 0.00 56.93 56.61 2ww3 s PHE 204 Cb -0.16 -1.67 0.54 0.00 0.51 0.00 0.00 43.02 42.25 2ww3 s PHE 204 CO 0.04 0.54 1.48 -0.40 0.70 0.00 0.00 175.22 177.58 2ww3 n ASP 205 N 0.04 3.74 -4.09 1.36 5.75 -0.65 -4.82 116.55 117.88 2ww3 n ASP 205 Ca -0.07 -2.00 -0.26 0.00 -0.01 0.00 0.00 54.79 52.46 2ww3 n ASP 205 Cb 0.52 -0.38 -0.16 0.00 -1.03 0.00 0.00 41.12 40.08 2ww3 n ASP 205 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2ww3 s LYS 206 N -1.24 1.82 0.41 0.11 2.20 -1.26 -4.94 119.74 116.83 2ww3 s LYS 206 Ca 0.44 -0.54 -0.26 0.00 -0.36 0.00 0.00 55.97 55.26 2ww3 s LYS 206 Cb 0.24 -1.52 -0.08 0.00 -1.51 0.00 0.00 37.83 34.96 2ww3 s LYS 206 CO 0.33 0.15 1.27 -2.14 -0.36 0.00 0.00 175.35 174.59 2ww3 s PRO 207 N 0.32 3.97 0.26 4.03 0.02 -1.26 -4.98 135.00 137.35 2ww3 s PRO 207 Ca -0.09 2.08 -0.29 0.00 0.02 0.00 0.00 61.00 62.71 2ww3 s PRO 207 Cb -0.14 -2.72 -0.09 0.00 0.02 0.00 0.00 34.50 31.57 2ww3 s PRO 207 CO 0.03 -0.47 1.22 -0.06 -0.33 0.00 0.00 177.00 177.40 2ww3 s PHE 208 N -1.30 3.32 -0.12 6.54 0.08 -1.26 -4.85 117.98 120.39 2ww3 s PHE 208 Ca 0.57 1.46 0.11 0.00 0.12 0.00 0.00 56.93 59.20 2ww3 s PHE 208 Cb -0.36 -3.50 -0.17 0.00 -0.57 0.00 0.00 43.02 38.42 2ww3 s PHE 208 CO 0.46 -1.34 0.30 2.41 -0.10 0.00 0.00 175.22 176.95 2ww3 n THR 209 N 1.61 0.00 -3.88 0.64 -1.04 0.12 -4.97 114.28 106.76 2ww3 n THR 209 Ca 0.02 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.05 61.64 2ww3 n THR 209 Cb 0.43 0.39 -0.15 0.00 -1.82 0.00 0.00 70.33 69.19 2ww3 n THR 209 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2ww3 s TYR 210 N -2.64 0.07 -0.09 -1.42 6.14 -0.41 -4.94 117.35 114.05 2ww3 s TYR 210 Ca -0.02 0.02 -0.07 0.00 0.64 0.00 0.00 57.07 57.63 2ww3 s TYR 210 Cb 0.08 -0.10 0.03 0.00 0.42 0.00 0.00 41.96 42.38 2ww3 s TYR 210 CO 0.47 -0.03 0.24 -1.59 0.64 0.00 0.00 175.55 175.28 2ww3 s LYS 211 N 0.26 0.26 -0.18 4.97 -2.85 -1.26 -0.58 119.74 120.36 2ww3 s LYS 211 Ca -0.02 0.37 -0.16 0.00 -1.00 0.00 0.00 55.97 55.16 2ww3 s LYS 211 Cb -0.04 0.07 0.05 0.00 -2.06 0.00 0.00 37.83 35.86 2ww3 s LYS 211 CO -0.01 -0.06 0.48 0.00 0.10 0.00 0.00 175.35 175.86 2ww3 s ALA 212 N 0.40 -1.19 0.43 0.59 0.00 -0.60 -0.99 121.76 120.39 2ww3 s ALA 212 Ca -0.02 1.40 0.05 0.00 0.00 0.00 0.00 51.96 53.39 2ww3 s ALA 212 Cb -0.04 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.27 2ww3 s ALA 212 CO -0.02 -0.23 0.60 0.95 0.00 0.00 0.00 175.76 177.06 2ww3 s THR 213 N 0.39 3.30 -0.04 0.00 -4.23 -0.72 -0.70 115.64 113.64 2ww3 s THR 213 Ca -0.01 -0.87 0.04 0.00 -1.18 0.00 0.00 61.69 59.67 2ww3 s THR 213 Cb -0.04 -3.15 -0.00 0.00 1.34 0.00 0.00 72.50 70.65 2ww3 s THR 213 CO -0.01 -0.08 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.15 2ww3 s VAL 214 N -2.42 1.26 -0.17 2.29 1.01 0.15 -0.02 120.40 122.50 2ww3 s VAL 214 Ca 0.52 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 2ww3 s VAL 214 Cb -0.10 -1.09 0.06 0.00 0.00 0.00 0.00 36.38 35.24 2ww3 s VAL 214 CO 0.34 0.37 0.05 -0.70 0.00 0.00 0.00 175.10 175.16 2ww3 s GLU 215 N 0.08 0.48 -1.24 2.72 -6.30 -0.67 -1.84 118.70 111.95 2ww3 s GLU 215 Ca -0.04 -0.26 -0.29 0.00 -2.50 0.00 0.00 54.97 51.88 2ww3 s GLU 215 Cb -0.11 -1.88 0.03 0.00 0.00 0.00 0.00 34.13 32.17 2ww3 s GLU 215 CO 0.02 -0.60 0.63 0.09 0.02 0.00 0.00 175.26 175.41 2ww3 n ASN 216 N 5.12 -3.72 0.00 -1.70 5.03 -1.14 -0.54 115.26 118.31 2ww3 n ASN 216 Ca -0.08 -1.26 0.00 0.00 0.87 0.00 0.00 54.58 54.11 2ww3 n ASN 216 Cb 0.48 -1.93 0.00 0.00 -1.02 0.00 0.00 39.78 37.31 2ww3 n ASN 216 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ww3 n GLY 217 N -2.09 2.68 3.58 7.41 0.00 -1.26 -4.99 105.19 110.53 2ww3 n GLY 217 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 2ww3 n GLY 217 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ww3 s ASN 218 N -3.30 6.26 -0.17 1.61 0.01 0.30 -4.96 114.94 114.68 2ww3 s ASN 218 Ca 0.00 0.13 -0.29 0.00 -0.71 0.00 0.00 52.86 51.99 2ww3 s ASN 218 Cb 0.00 -2.22 -0.03 0.00 0.41 0.00 0.00 41.25 39.40 2ww3 s ASN 218 CO 0.00 -0.28 1.59 -0.22 -1.51 0.00 0.00 177.10 176.68 2ww3 s LEU 219 N 2.14 4.04 -0.43 0.60 2.96 -1.26 -1.66 118.68 125.06 2ww3 s LEU 219 Ca 0.15 1.80 0.04 0.00 -0.22 0.00 0.00 54.13 55.90 2ww3 s LEU 219 Cb -0.16 -3.53 0.12 0.00 0.50 0.00 0.00 46.19 43.12 2ww3 s LEU 219 CO 0.11 -1.11 0.17 -1.10 -1.32 0.00 0.00 176.35 173.09 2ww3 s GLN 220 N 4.38 1.65 0.21 1.98 -0.21 0.98 -5.00 119.66 123.63 2ww3 s GLN 220 Ca 0.70 -2.19 -0.32 0.00 0.02 0.00 0.00 55.36 53.57 2ww3 s GLN 220 Cb -0.27 -3.11 -0.11 0.00 1.00 0.00 0.00 33.01 30.52 2ww3 s GLN 220 CO 0.28 -1.04 1.68 -2.00 -2.12 0.00 0.00 175.29 172.09 2ww3 s GLU 221 N 0.34 4.14 -0.38 2.91 2.12 -1.26 -1.76 118.70 124.81 2ww3 s GLU 221 Ca 0.14 2.55 0.00 0.00 0.36 0.00 0.00 54.97 58.03 2ww3 s GLU 221 Cb -0.23 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.08 2ww3 s GLU 221 CO -0.05 -0.71 0.00 0.09 -0.54 0.00 0.00 175.26 174.05 2ww3 n ASN 222 N 3.85 -5.02 -4.61 -1.70 3.02 -0.16 -4.93 115.26 105.70 2ww3 n ASN 222 Ca 0.15 0.09 -0.42 0.00 -0.03 0.00 0.00 54.58 54.37 2ww3 n ASN 222 Cb 0.36 -2.84 -0.05 0.00 -0.61 0.00 0.00 39.78 36.64 2ww3 n ASN 222 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ww3 s VAL 223 N -1.60 4.82 0.12 2.41 1.01 -1.06 -4.96 120.40 121.14 2ww3 s VAL 223 Ca 0.00 1.14 0.15 0.00 0.00 0.00 0.00 61.98 63.27 2ww3 s VAL 223 Cb 0.00 -4.12 0.05 0.00 0.00 0.00 0.00 36.38 32.31 2ww3 s VAL 223 CO 0.00 -0.22 1.60 0.00 0.00 0.00 0.00 175.10 176.48 2ww3 h ALA 224 N 8.12 0.86 -3.17 5.51 0.00 -1.89 -3.11 119.26 125.57 2ww3 h ALA 224 Ca -0.25 -0.47 -0.21 0.00 0.00 0.00 0.00 54.91 53.98 2ww3 h ALA 224 Cb 1.10 -0.08 -0.30 0.00 0.00 0.00 0.00 17.79 18.51 2ww3 h ALA 224 CO 0.87 0.65 -0.54 -2.00 0.00 0.00 0.00 179.25 178.23 2ww3 s GLU 225 N -3.39 0.16 -0.02 0.00 2.12 -1.26 -0.48 118.70 115.83 2ww3 s GLU 225 Ca 0.01 0.41 0.04 0.00 0.36 0.00 0.00 54.97 55.78 2ww3 s GLU 225 Cb 0.11 -0.10 -0.00 0.00 0.26 0.00 0.00 34.13 34.39 2ww3 s GLU 225 CO 0.73 -0.14 -0.13 -0.65 -0.54 0.00 0.00 175.26 174.53 2ww3 s GLN 226 N 1.00 1.18 -0.27 4.30 -1.52 0.15 -5.01 119.66 119.49 2ww3 s GLN 226 Ca -0.07 -0.44 0.01 0.00 -1.95 0.00 0.00 55.36 52.90 2ww3 s GLN 226 Cb -0.09 -1.09 0.08 0.00 -0.22 0.00 0.00 33.01 31.68 2ww3 s GLN 226 CO -0.06 0.22 -0.01 0.99 -0.25 0.00 0.00 175.29 176.19 2ww3 s THR 227 N -0.08 1.58 0.26 -0.19 2.01 -1.26 -1.49 115.64 116.47 2ww3 s THR 227 Ca 0.01 -1.49 -0.21 0.00 0.31 0.00 0.00 61.69 60.30 2ww3 s THR 227 Cb -0.07 -1.97 0.04 0.00 0.01 0.00 0.00 72.50 70.51 2ww3 s THR 227 CO 0.00 -0.30 0.83 0.28 -0.69 0.00 0.00 174.62 174.74 2ww3 s THR 228 N 1.32 0.00 0.19 -0.82 -1.32 -0.95 -5.02 115.64 109.04 2ww3 s THR 228 Ca 0.00 -0.87 -0.13 0.00 -1.21 0.00 0.00 61.69 59.49 2ww3 s THR 228 Cb -0.19 -2.25 0.10 0.00 -1.51 0.00 0.00 72.50 68.65 2ww3 s THR 228 CO -0.10 0.00 1.85 -0.78 -2.21 0.00 0.00 174.62 173.38 2ww3 h ASP 229 N 2.00 0.68 -3.10 8.08 3.58 -1.93 0.14 116.42 125.86 2ww3 h ASP 229 Ca -0.24 -0.01 -0.60 0.00 0.42 0.00 0.00 57.03 56.60 2ww3 h ASP 229 Cb 1.24 -0.17 -0.40 0.00 1.72 0.00 0.00 39.33 41.73 2ww3 h ASP 229 CO 0.28 0.49 -0.78 -2.28 -2.88 0.00 0.00 179.24 174.07 2ww3 s HIS 230 N -6.15 1.60 0.26 0.28 2.46 -1.26 -0.83 115.29 111.64 2ww3 s HIS 230 Ca -0.13 -2.22 -0.18 0.00 0.47 0.00 0.00 55.06 53.00 2ww3 s HIS 230 Cb 0.13 -1.55 -0.08 0.00 -0.13 0.00 0.00 32.58 30.95 2ww3 s HIS 230 CO 0.75 -0.79 0.72 0.00 -2.47 0.00 0.00 174.74 172.96 2ww3 s ALA 231 N 0.45 3.39 0.21 1.58 0.00 -1.25 -2.88 121.76 123.26 2ww3 s ALA 231 Ca 0.20 0.11 -0.11 0.00 0.00 0.00 0.00 51.96 52.15 2ww3 s ALA 231 Cb -0.20 -2.79 -0.00 0.00 0.00 0.00 0.00 23.12 20.12 2ww3 s ALA 231 CO -0.02 0.33 0.40 0.20 0.00 0.00 0.00 175.76 176.67 2ww3 s GLY 232 N -1.88 0.49 0.04 0.00 0.00 -0.76 -1.92 107.32 103.29 2ww3 s GLY 232 Ca 0.47 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.35 2ww3 s GLY 232 CO 0.20 -0.69 -0.04 0.00 0.00 0.00 0.00 173.10 172.56 2ww3 s ALA 233 N -3.99 0.42 -0.08 3.20 0.00 -0.20 0.31 121.76 121.43 2ww3 s ALA 233 Ca 0.20 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 2ww3 s ALA 233 Cb 0.01 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.32 2ww3 s ALA 233 CO 0.05 -0.19 -0.01 0.42 0.00 0.00 0.00 175.76 176.02 2ww3 s ILE 234 N -2.33 0.47 0.28 0.00 1.01 0.12 -0.55 121.20 120.20 2ww3 s ILE 234 Ca -0.05 0.06 0.09 0.00 0.00 0.00 0.00 60.65 60.74 2ww3 s ILE 234 Cb -0.04 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.79 2ww3 s ILE 234 CO -0.03 0.27 0.06 0.27 0.00 0.00 0.00 174.94 175.51 2ww3 s ILE 235 N 1.88 3.53 0.21 2.92 -5.25 -0.66 -1.56 121.20 122.28 2ww3 s ILE 235 Ca 0.04 -1.78 -0.21 0.00 -0.99 0.00 0.00 60.65 57.72 2ww3 s ILE 235 Cb -0.12 -2.97 0.04 0.00 2.95 0.00 0.00 42.46 42.36 2ww3 s ILE 235 CO -0.05 -0.33 0.62 -0.83 -1.79 0.00 0.00 174.94 172.56 2ww3 s GLY 236 N -3.74 -0.29 0.15 6.27 0.00 0.26 -0.56 107.32 109.42 2ww3 s GLY 236 Ca 0.33 0.01 -0.23 0.00 0.00 0.00 0.00 44.72 44.83 2ww3 s GLY 236 CO 0.21 -0.05 1.07 -0.11 0.00 0.00 0.00 173.10 174.23 2ww3 s PHE 237 N -3.84 0.05 0.03 1.90 -0.00 -0.43 0.15 117.98 115.83 2ww3 s PHE 237 Ca 0.07 -0.40 -0.08 0.00 -0.00 0.00 0.00 56.93 56.52 2ww3 s PHE 237 Cb -0.03 0.68 -0.05 0.00 -0.00 0.00 0.00 43.02 43.62 2ww3 s PHE 237 CO -0.03 -0.82 0.33 0.21 -0.00 0.00 0.00 175.22 174.90 2ww3 s LYS 238 N -2.25 3.67 0.01 1.99 2.36 -1.26 -1.83 119.74 122.43 2ww3 s LYS 238 Ca 0.22 0.06 0.03 0.00 -2.55 0.00 0.00 55.97 53.73 2ww3 s LYS 238 Cb -0.02 -3.06 -0.01 0.00 -1.05 0.00 0.00 37.83 33.69 2ww3 s LYS 238 CO 0.04 0.62 -0.11 0.95 1.55 0.00 0.00 175.35 178.40 2ww3 s THR 239 N -1.31 0.84 0.67 3.43 -4.23 -0.18 -4.99 115.64 109.87 2ww3 s THR 239 Ca 0.29 -0.66 -0.05 0.00 -1.18 0.00 0.00 61.69 60.09 2ww3 s THR 239 Cb -0.14 -0.75 0.06 0.00 1.34 0.00 0.00 72.50 73.01 2ww3 s THR 239 CO 0.16 0.09 0.96 0.00 -0.54 0.00 0.00 174.62 175.29 2ww3 s ARG 240 N -0.64 2.27 0.12 3.99 1.70 -1.26 -1.27 118.95 123.86 2ww3 s ARG 240 Ca 0.02 -0.37 -0.31 0.00 -0.47 0.00 0.00 55.73 54.59 2ww3 s ARG 240 Cb -0.06 -2.24 -0.11 0.00 -0.57 0.00 0.00 34.95 31.98 2ww3 s ARG 240 CO 0.00 -1.13 1.85 1.17 -1.08 0.00 0.00 175.30 176.11 2ww3 n LYS 241 N -2.79 2.81 -1.06 3.89 4.81 -1.26 -1.97 118.16 122.59 2ww3 n LYS 241 Ca 0.08 1.02 -0.02 0.00 -0.87 0.00 0.00 58.31 58.52 2ww3 n LYS 241 Cb 0.60 -2.92 -0.01 0.00 0.02 0.00 0.00 35.03 32.72 2ww3 n LYS 241 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ww3 n GLY 242 N 4.25 0.51 3.75 3.14 0.00 -0.17 -4.87 105.19 111.79 2ww3 n GLY 242 Ca 0.18 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2ww3 n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ww3 s GLU 243 N -1.23 4.37 -0.12 1.61 2.12 -0.83 -4.70 118.70 119.93 2ww3 s GLU 243 Ca 0.00 2.12 -0.06 0.00 0.36 0.00 0.00 54.97 57.39 2ww3 s GLU 243 Cb 0.00 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 2ww3 s GLU 243 CO 0.00 -0.25 0.11 -0.65 -0.54 0.00 0.00 175.26 173.93 2ww3 s GLN 244 N -0.55 3.46 -0.07 4.30 -0.21 -1.26 -1.19 119.66 124.14 2ww3 s GLN 244 Ca 0.55 -0.20 0.02 0.00 0.02 0.00 0.00 55.36 55.74 2ww3 s GLN 244 Cb -0.38 -3.14 0.02 0.00 1.00 0.00 0.00 33.01 30.51 2ww3 s GLN 244 CO 0.42 0.69 -0.11 0.08 -2.12 0.00 0.00 175.29 174.25 2ww3 s VAL 245 N -0.79 1.05 -0.07 1.09 1.01 0.26 -4.97 120.40 117.98 2ww3 s VAL 245 Ca 0.13 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 2ww3 s VAL 245 Cb -0.12 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 2ww3 s VAL 245 CO 0.03 0.34 -0.01 0.20 0.00 0.00 0.00 175.10 175.65 2ww3 s ASN 246 N 0.80 5.09 -0.15 3.32 0.01 -1.26 -0.68 114.94 122.07 2ww3 s ASN 246 Ca -0.12 0.09 -0.00 0.00 -0.71 0.00 0.00 52.86 52.12 2ww3 s ASN 246 Cb -0.15 -1.39 0.03 0.00 0.41 0.00 0.00 41.25 40.15 2ww3 s ASN 246 CO 0.02 0.37 -0.07 0.00 -1.51 0.00 0.00 177.10 175.91 2ww3 s ALA 247 N -0.89 1.47 -0.16 0.60 0.00 -0.16 -1.63 121.76 120.99 2ww3 s ALA 247 Ca 0.14 -0.75 -0.18 0.00 0.00 0.00 0.00 51.96 51.17 2ww3 s ALA 247 Cb -0.11 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 2ww3 s ALA 247 CO 0.03 -0.62 0.46 1.03 0.00 0.00 0.00 175.76 176.66 2ww3 s ARG 248 N 1.64 4.27 -0.02 0.00 0.52 0.53 -0.62 118.95 125.27 2ww3 s ARG 248 Ca 0.02 0.38 0.03 0.00 -0.52 0.00 0.00 55.73 55.64 2ww3 s ARG 248 Cb -0.14 -3.48 -0.00 0.00 0.52 0.00 0.00 34.95 31.84 2ww3 s ARG 248 CO -0.08 0.05 -0.11 0.42 0.02 0.00 0.00 175.30 175.60 2ww3 s ILE 249 N 0.99 0.88 0.04 1.52 1.01 -0.39 -0.47 121.20 124.78 2ww3 s ILE 249 Ca 0.24 -0.44 -0.09 0.00 0.00 0.00 0.00 60.65 60.36 2ww3 s ILE 249 Cb -0.15 -0.76 0.00 0.00 0.01 0.00 0.00 42.46 41.57 2ww3 s ILE 249 CO 0.09 0.26 0.18 0.00 0.00 0.00 0.00 174.94 175.47 2ww3 s ALA 250 N -0.03 -0.31 0.19 9.38 0.00 -0.80 -0.48 121.76 129.70 2ww3 s ALA 250 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.63 2ww3 s ALA 250 Cb -0.07 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 2ww3 s ALA 250 CO 0.00 -0.37 0.06 -1.54 0.00 0.00 0.00 175.76 173.92 2ww3 s SER 251 N -2.15 0.75 0.05 0.00 1.04 -1.21 -1.26 113.70 110.92 2ww3 s SER 251 Ca -0.04 -1.27 -0.07 0.00 0.48 0.00 0.00 55.95 55.05 2ww3 s SER 251 Cb -0.01 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 2ww3 s SER 251 CO -0.04 -0.70 0.12 -0.55 0.98 0.00 0.00 173.24 173.04 2ww3 s SER 252 N -3.17 0.16 0.00 7.02 0.15 0.71 -4.79 113.70 113.77 2ww3 s SER 252 Ca 0.30 -0.54 0.22 0.00 0.70 0.00 0.00 55.95 56.63 2ww3 s SER 252 Cb 0.07 0.26 0.59 0.00 -1.71 0.00 0.00 66.02 65.22 2ww3 s SER 252 CO 0.07 -0.56 1.50 0.49 1.20 0.00 0.00 173.24 175.94 2ww3 n PHE 253 N 0.59 0.84 -0.02 3.44 3.01 -1.26 -0.65 117.46 123.41 2ww3 n PHE 253 Ca -0.18 -0.42 -0.05 0.00 1.01 0.00 0.00 57.45 57.80 2ww3 n PHE 253 Cb 0.59 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.04 2ww3 n PHE 253 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2ww3 n ILE 254 N 1.52 1.31 -3.78 4.37 5.41 -1.26 -4.64 119.36 122.29 2ww3 n ILE 254 Ca 0.23 0.23 -0.05 0.00 1.00 0.00 0.00 62.75 64.15 2ww3 n ILE 254 Cb 0.59 -1.94 -0.02 0.00 -0.71 0.00 0.00 39.64 37.57 2ww3 n ILE 254 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2ww3 s SER 255 N -5.98 -0.23 0.21 4.38 1.04 -1.26 -4.98 113.70 106.88 2ww3 s SER 255 Ca -0.15 -0.46 -0.10 0.00 0.48 0.00 0.00 55.95 55.72 2ww3 s SER 255 Cb 0.02 0.59 0.15 0.00 0.10 0.00 0.00 66.02 66.89 2ww3 s SER 255 CO 0.21 -1.08 1.86 -0.26 0.98 0.00 0.00 173.24 174.96 2ww3 h PHE 256 N 2.00 0.98 -0.53 5.02 0.04 -1.94 0.76 116.94 123.27 2ww3 h PHE 256 Ca -0.22 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.55 2ww3 h PHE 256 Cb 1.24 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 39.04 2ww3 h PHE 256 CO 0.39 0.64 0.29 1.49 -0.60 0.00 0.00 178.31 180.53 2ww3 h GLU 257 N 1.03 0.74 -0.03 1.51 4.81 -1.99 0.53 114.58 121.18 2ww3 h GLU 257 Ca 0.27 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.34 2ww3 h GLU 257 Cb -0.07 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 2ww3 h GLU 257 CO -0.05 0.57 -0.35 0.37 -0.73 0.00 0.00 179.01 178.82 2ww3 h GLN 258 N 0.71 0.05 -0.54 1.92 5.75 -1.88 -1.96 115.11 119.17 2ww3 h GLN 258 Ca 0.19 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.63 2ww3 h GLN 258 Cb 0.05 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 2ww3 h GLN 258 CO -0.03 0.40 0.19 0.00 -2.65 0.00 0.00 178.83 176.75 2ww3 h ALA 259 N 1.60 0.70 -1.00 3.38 0.00 0.34 -1.28 119.26 123.00 2ww3 h ALA 259 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2ww3 h ALA 259 Cb 0.65 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 2ww3 h ALA 259 CO 0.05 0.34 0.65 0.00 0.00 0.00 0.00 179.25 180.29 2ww3 h ALA 260 N 1.05 1.37 -0.62 0.00 0.00 -0.55 -1.52 119.26 118.98 2ww3 h ALA 260 Ca 0.18 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2ww3 h ALA 260 Cb 0.24 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2ww3 h ALA 260 CO -0.01 0.52 0.09 0.00 0.00 0.00 0.00 179.25 179.85 2ww3 h ALA 261 N 1.43 0.98 0.00 0.00 0.00 -0.83 -2.73 119.26 118.11 2ww3 h ALA 261 Ca 0.41 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2ww3 h ALA 261 Cb 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2ww3 h ALA 261 CO -0.14 0.64 -0.18 -0.91 0.00 0.00 0.00 179.25 178.66 2ww3 h ASN 262 N 0.96 0.00 -0.77 0.00 2.35 -0.32 -1.73 115.58 116.07 2ww3 h ASN 262 Ca 0.19 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 56.09 2ww3 h ASN 262 Cb 0.43 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.75 2ww3 h ASN 262 CO 0.01 0.18 0.51 -0.03 -1.65 0.00 0.00 177.43 176.46 2ww3 h MET 263 N 0.00 0.42 0.00 0.81 4.05 -0.99 -2.04 114.93 117.18 2ww3 h MET 263 Ca -0.00 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2ww3 h MET 263 Cb 0.35 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.06 2ww3 h MET 263 CO 0.02 0.28 0.00 0.09 0.23 0.00 0.00 176.91 177.53 2ww3 n ASN 264 N -4.48 0.57 -0.16 1.39 5.03 -0.65 -1.07 115.26 115.89 2ww3 n ASN 264 Ca 0.15 0.74 0.13 0.00 0.87 0.00 0.00 54.58 56.46 2ww3 n ASN 264 Cb 0.53 -0.82 0.46 0.00 -1.02 0.00 0.00 39.78 38.93 2ww3 n ASN 264 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 2ww3 h GLU 265 N 0.00 0.49 0.00 3.52 5.08 -1.54 -1.73 114.58 120.40 2ww3 h GLU 265 Ca 0.00 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2ww3 h GLU 265 Cb 0.07 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2ww3 h GLU 265 CO 0.00 0.32 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.04 2ww3 h LEU 266 N 0.50 0.00 0.00 1.33 3.38 -1.32 -3.50 115.31 115.71 2ww3 h LEU 266 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2ww3 h LEU 266 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2ww3 h LEU 266 CO -0.12 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.25 2ww3 n GLY 267 N 0.73 2.00 1.33 0.83 0.00 -0.65 -1.72 105.19 107.72 2ww3 n GLY 267 Ca 0.02 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.78 2ww3 n GLY 267 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ww3 n LYS 268 N 13.28 3.71 -1.58 1.61 4.76 -1.26 -4.94 118.16 133.73 2ww3 n LYS 268 Ca 0.00 -2.87 -0.42 0.00 -2.87 0.00 0.00 58.31 52.15 2ww3 n LYS 268 Cb 0.00 -1.92 0.01 0.00 -1.84 0.00 0.00 35.03 31.28 2ww3 n LYS 268 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2ww3 n ASP 269 N 0.34 0.85 -4.10 4.39 9.92 -0.70 -5.01 116.55 122.25 2ww3 n ASP 269 Ca 0.23 1.02 -0.19 0.00 -0.53 0.00 0.00 54.79 55.33 2ww3 n ASP 269 Cb 0.93 -1.30 0.10 0.00 -0.64 0.00 0.00 41.12 40.21 2ww3 n ASP 269 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2ww3 n ASN 270 N 0.70 1.13 -0.11 -2.24 0.23 -1.26 -4.88 115.26 108.83 2ww3 n ASN 270 Ca 0.10 -1.95 -0.05 0.00 -0.53 0.00 0.00 54.58 52.15 2ww3 n ASN 270 Cb 0.38 -0.52 0.03 0.00 -2.08 0.00 0.00 39.78 37.59 2ww3 n ASN 270 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2ww3 h ILE 271 N -0.54 0.77 -0.80 1.53 1.08 -1.95 -1.69 117.51 115.91 2ww3 h ILE 271 Ca -0.27 -0.06 -0.00 0.00 -0.39 0.00 0.00 64.86 64.14 2ww3 h ILE 271 Cb 1.00 0.59 -0.04 0.00 -3.07 0.00 0.00 36.82 35.30 2ww3 h ILE 271 CO 0.29 0.03 0.48 -0.33 -0.69 0.00 0.00 178.15 177.94 2ww3 h GLU 272 N 0.17 1.08 -0.35 2.37 3.07 -1.99 0.84 114.58 119.77 2ww3 h GLU 272 Ca 0.19 -0.10 -0.02 0.00 -0.50 0.00 0.00 59.36 58.93 2ww3 h GLU 272 Cb 0.24 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 2ww3 h GLU 272 CO -0.27 0.76 0.16 1.96 -1.40 0.00 0.00 179.01 180.22 2ww3 h GLN 273 N 1.10 0.52 -0.19 2.33 4.20 -1.84 -1.95 115.11 119.28 2ww3 h GLN 273 Ca 0.29 -0.09 -0.17 0.00 0.06 0.00 0.00 58.65 58.74 2ww3 h GLN 273 Cb -0.04 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 2ww3 h GLN 273 CO -0.05 0.49 -0.59 -0.07 -0.67 0.00 0.00 178.83 177.94 2ww3 h LEU 274 N 0.43 0.69 -0.74 1.46 3.38 -0.93 -1.45 115.31 118.14 2ww3 h LEU 274 Ca 0.12 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 57.77 2ww3 h LEU 274 Cb 0.15 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 2ww3 h LEU 274 CO -0.01 1.12 0.44 0.00 0.09 0.00 0.00 178.44 180.08 2ww3 h ALA 275 N 0.89 1.01 -0.54 1.53 0.00 -0.75 0.76 119.26 122.16 2ww3 h ALA 275 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2ww3 h ALA 275 Cb 1.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2ww3 h ALA 275 CO 0.11 0.15 -0.03 0.37 0.00 0.00 0.00 179.25 179.85 2ww3 h GLN 276 N 0.81 0.98 -0.65 0.00 5.75 -1.11 -0.11 115.11 120.79 2ww3 h GLN 276 Ca 0.33 -0.33 -0.08 0.00 -0.15 0.00 0.00 58.65 58.42 2ww3 h GLN 276 Cb 0.17 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 2ww3 h GLN 276 CO -0.17 1.00 0.10 0.87 -2.65 0.00 0.00 178.83 177.98 2ww3 h LYS 277 N 0.86 1.06 -0.44 1.69 1.57 -0.77 0.28 116.57 120.82 2ww3 h LYS 277 Ca 0.15 -0.28 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 2ww3 h LYS 277 Cb 0.58 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2ww3 h LYS 277 CO 0.03 0.98 -0.10 0.78 -0.57 0.00 0.00 179.45 180.57 2ww3 h GLY 278 N 1.04 0.91 1.00 3.86 0.00 -0.71 -1.08 103.07 108.09 2ww3 h GLY 278 Ca 0.20 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.78 2ww3 h GLY 278 CO 0.01 0.69 0.26 1.70 0.00 0.00 0.00 176.54 179.19 2ww3 h LYS 279 N 0.67 0.51 -0.65 4.80 3.64 -0.80 -0.56 116.57 124.19 2ww3 h LYS 279 Ca 0.11 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 2ww3 h LYS 279 Cb 0.64 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 2ww3 h LYS 279 CO 0.04 0.34 0.39 -0.44 -2.27 0.00 0.00 179.45 177.52 2ww3 h ASP 280 N 0.53 0.64 -0.26 4.20 3.32 -0.87 0.42 116.42 124.40 2ww3 h ASP 280 Ca 0.14 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2ww3 h ASP 280 Cb -0.06 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2ww3 h ASP 280 CO -0.03 0.44 0.12 0.00 -1.72 0.00 0.00 179.24 178.05 2ww3 h ALA 281 N 1.29 0.33 -0.01 3.45 0.00 -0.72 -0.33 119.26 123.26 2ww3 h ALA 281 Ca 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2ww3 h ALA 281 Cb 0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2ww3 h ALA 281 CO -0.11 -0.11 0.00 -1.49 0.00 0.00 0.00 179.25 177.54 2ww3 h TRP 282 N 0.28 0.01 -0.87 0.00 4.06 -1.03 -2.94 115.95 115.47 2ww3 h TRP 282 Ca 0.09 -0.00 0.13 0.00 2.06 0.00 0.00 58.89 61.17 2ww3 h TRP 282 Cb 0.13 -0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.22 2ww3 h TRP 282 CO -0.02 0.13 0.56 -0.91 -3.56 0.00 0.00 178.44 174.64 2ww3 h ASN 283 N -0.11 0.65 -0.41 -3.49 -0.26 -0.80 0.31 115.58 111.48 2ww3 h ASN 283 Ca 0.00 0.03 0.07 0.00 -0.56 0.00 0.00 56.30 55.85 2ww3 h ASN 283 Cb 0.12 -0.10 -0.06 0.00 -1.06 0.00 0.00 38.32 37.23 2ww3 h ASN 283 CO -0.00 0.34 0.05 -0.61 -1.06 0.00 0.00 177.43 176.15 2ww3 h GLN 284 N 0.69 0.16 0.17 0.81 5.75 -0.87 0.28 115.11 122.11 2ww3 h GLN 284 Ca 0.43 -0.01 -0.35 0.00 -0.15 0.00 0.00 58.65 58.57 2ww3 h GLN 284 Cb 0.66 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.18 2ww3 h GLN 284 CO -0.19 0.11 -1.77 -0.39 -2.65 0.00 0.00 178.83 173.95 2ww3 h VAL 285 N 0.17 0.92 -0.97 2.39 -1.51 -1.27 -3.34 116.25 112.64 2ww3 h VAL 285 Ca 0.20 -2.52 0.06 0.00 -1.23 0.00 0.00 66.70 63.21 2ww3 h VAL 285 Cb 0.26 2.73 -0.06 0.00 -2.13 0.00 0.00 31.29 32.09 2ww3 h VAL 285 CO -0.29 0.86 0.62 -0.07 -1.23 0.00 0.00 177.57 177.46 2ww3 h LEU 286 N 0.10 1.00 0.00 4.19 3.38 -0.39 -2.77 115.31 120.82 2ww3 h LEU 286 Ca -0.35 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2ww3 h LEU 286 Cb 2.09 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.63 2ww3 h LEU 286 CO 0.17 0.65 0.00 0.61 0.09 0.00 0.00 178.44 179.95 2ww3 n GLY 287 N -1.36 -0.66 0.18 0.83 0.00 0.99 -2.57 105.19 102.60 2ww3 n GLY 287 Ca 0.14 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.22 2ww3 n GLY 287 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ww3 h LYS 288 N 0.00 0.00 -3.98 1.61 1.79 -1.61 -3.39 116.57 110.99 2ww3 h LYS 288 Ca 0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 2ww3 h LYS 288 Cb 0.09 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 30.35 2ww3 h LYS 288 CO 0.00 0.00 -0.77 0.42 -1.08 0.00 0.00 179.45 178.02 2ww3 s ILE 289 N -3.40 1.11 -0.28 1.86 1.01 -1.06 -0.81 121.20 119.64 2ww3 s ILE 289 Ca 0.04 -1.04 -0.09 0.00 0.00 0.00 0.00 60.65 59.56 2ww3 s ILE 289 Cb 0.09 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 2ww3 s ILE 289 CO 0.48 -0.23 0.13 -1.61 0.00 0.00 0.00 174.94 173.71 2ww3 s GLU 290 N 1.57 3.66 -0.05 2.79 2.02 -0.63 -4.95 118.70 123.11 2ww3 s GLU 290 Ca -0.02 -0.49 0.01 0.00 0.02 0.00 0.00 54.97 54.49 2ww3 s GLU 290 Cb -0.18 -3.50 -0.03 0.00 0.10 0.00 0.00 34.13 30.52 2ww3 s GLU 290 CO -0.09 -0.25 -0.06 0.14 0.02 0.00 0.00 175.26 175.01 2ww3 s VAL 291 N 1.66 3.73 0.12 2.63 -7.23 -1.26 -0.74 120.40 119.31 2ww3 s VAL 291 Ca 0.06 -0.53 -0.00 0.00 -1.81 0.00 0.00 61.98 59.70 2ww3 s VAL 291 Cb -0.16 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 2ww3 s VAL 291 CO 0.07 0.55 0.03 -1.61 -0.31 0.00 0.00 175.10 173.83 2ww3 s GLU 292 N -0.95 0.89 -1.02 4.82 2.02 -0.10 -4.93 118.70 119.43 2ww3 s GLU 292 Ca 0.14 -1.41 -0.00 0.00 0.02 0.00 0.00 54.97 53.71 2ww3 s GLU 292 Cb -0.11 0.13 -0.00 0.00 0.10 0.00 0.00 34.13 34.25 2ww3 s GLU 292 CO 0.03 -0.20 0.85 0.41 0.02 0.00 0.00 175.26 176.37 2ww3 n GLY 293 N -0.08 -0.28 0.76 -1.39 0.00 -1.26 -2.45 105.19 100.49 2ww3 n GLY 293 Ca -0.08 0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 2ww3 n GLY 293 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww3 n GLY 294 N -1.12 3.84 3.86 -0.02 0.00 -1.26 -2.85 105.19 107.63 2ww3 n GLY 294 Ca -0.24 -1.85 -0.21 0.00 0.00 0.00 0.00 46.02 43.73 2ww3 n GLY 294 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ww3 s ASN 295 N -1.56 5.04 0.35 1.61 2.20 -1.26 -4.97 114.94 116.35 2ww3 s ASN 295 Ca 0.07 -0.72 0.03 0.00 -0.94 0.00 0.00 52.86 51.30 2ww3 s ASN 295 Cb 0.00 -0.65 0.65 0.00 -2.00 0.00 0.00 41.25 39.25 2ww3 s ASN 295 CO 0.05 -0.57 1.98 0.25 -2.94 0.00 0.00 177.10 175.87 2ww3 h LEU 296 N 1.12 0.74 -0.75 3.54 5.85 -2.02 -0.27 115.31 123.53 2ww3 h LEU 296 Ca -0.42 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.34 2ww3 h LEU 296 Cb 1.26 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 2ww3 h LEU 296 CO 0.59 0.51 0.45 0.44 -0.34 0.00 0.00 178.44 180.09 2ww3 h ASP 297 N 0.86 0.71 0.08 1.25 3.32 -1.99 -1.68 116.42 118.96 2ww3 h ASP 297 Ca 0.28 0.02 -0.19 0.00 0.02 0.00 0.00 57.03 57.16 2ww3 h ASP 297 Cb 0.06 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 2ww3 h ASP 297 CO -0.08 0.47 -0.69 1.56 -1.72 0.00 0.00 179.24 178.77 2ww3 h GLN 298 N 0.84 0.55 -0.74 3.56 4.20 -1.47 -0.76 115.11 121.29 2ww3 h GLN 298 Ca 0.32 -0.42 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 2ww3 h GLN 298 Cb 0.13 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.95 2ww3 h GLN 298 CO -0.16 1.04 0.44 1.88 -0.67 0.00 0.00 178.83 181.37 2ww3 h TYR 299 N 0.39 0.97 -0.20 2.96 0.05 -1.19 -1.21 116.97 118.73 2ww3 h TYR 299 Ca -0.03 -0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.65 2ww3 h TYR 299 Cb 1.27 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 38.69 2ww3 h TYR 299 CO 0.06 0.66 -0.26 0.00 -1.05 0.00 0.00 178.16 177.56 2ww3 h ARG 300 N 1.01 0.54 0.11 4.88 3.08 -1.17 -1.75 114.38 121.09 2ww3 h ARG 300 Ca 0.26 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2ww3 h ARG 300 Cb -0.03 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 2ww3 h ARG 300 CO -0.05 0.90 -0.07 1.15 -1.07 0.00 0.00 179.97 180.83 2ww3 h THR 301 N 0.21 0.84 0.06 2.04 2.02 -1.14 -0.00 112.91 116.94 2ww3 h THR 301 Ca 0.03 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.23 2ww3 h THR 301 Cb 0.83 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 2ww3 h THR 301 CO 0.06 0.00 -0.22 0.15 0.37 0.00 0.00 175.52 175.88 2ww3 h PHE 302 N -0.19 -0.60 0.00 3.16 3.57 -1.21 0.53 116.94 122.21 2ww3 h PHE 302 Ca -0.01 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.35 2ww3 h PHE 302 Cb 0.16 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 2ww3 h PHE 302 CO -0.09 -0.32 -0.73 1.88 -2.23 0.00 0.00 178.31 176.83 2ww3 h TYR 303 N -0.39 0.00 -0.72 0.41 0.05 -1.31 0.43 116.97 115.44 2ww3 h TYR 303 Ca 0.04 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 2ww3 h TYR 303 Cb 0.44 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.15 2ww3 h TYR 303 CO -0.24 0.73 0.22 0.77 -1.05 0.00 0.00 178.16 178.59 2ww3 h SER 304 N 0.00 1.06 -0.35 3.88 0.02 -0.85 0.14 113.55 117.46 2ww3 h SER 304 Ca -0.01 -0.21 -0.08 0.00 -0.84 0.00 0.00 61.79 60.65 2ww3 h SER 304 Cb 1.33 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 2ww3 h SER 304 CO 0.09 1.00 -0.10 0.00 -1.14 0.00 0.00 176.83 176.68 2ww3 h LEU 306 N 0.48 0.96 -0.08 0.00 5.85 -0.76 -1.68 115.31 120.08 2ww3 h LEU 306 Ca 0.09 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.68 2ww3 h LEU 306 Cb 0.61 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2ww3 h LEU 306 CO 0.04 0.84 -0.06 0.22 -0.34 0.00 0.00 178.44 179.14 2ww3 h TYR 307 N 1.01 -0.13 0.00 1.25 3.20 -0.51 -1.44 116.97 120.35 2ww3 h TYR 307 Ca 0.24 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.12 2ww3 h TYR 307 Cb 0.16 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.50 2ww3 h TYR 307 CO 0.01 -0.09 0.00 0.00 -1.64 0.00 0.00 178.16 176.44 2ww3 h ARG 308 N -0.06 0.00 -0.00 1.82 2.47 -0.86 -1.85 114.38 115.89 2ww3 h ARG 308 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2ww3 h ARG 308 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 2ww3 h ARG 308 CO -0.12 0.00 -0.27 0.43 0.56 0.00 0.00 179.97 180.57 2ww3 n SER 309 N -2.61 0.70 -1.04 7.04 7.64 -0.56 -3.76 113.62 121.03 2ww3 n SER 309 Ca -0.01 -0.57 -0.03 0.00 1.01 0.00 0.00 58.87 59.27 2ww3 n SER 309 Cb 0.10 0.08 0.19 0.00 -1.01 0.00 0.00 64.21 63.56 2ww3 n SER 309 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2ww3 n LEU 310 N -0.99 3.71 -0.01 -3.43 4.77 -0.69 -4.70 117.00 115.66 2ww3 n LEU 310 Ca 0.11 -3.93 -0.01 0.00 -0.03 0.00 0.00 56.01 52.15 2ww3 n LEU 310 Cb 0.33 -0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 40.83 2ww3 n LEU 310 CO 0.28 1.40 -0.54 0.18 -1.33 0.00 0.00 177.39 177.38 2ww3 n LEU 311 N -1.09 2.88 -4.31 2.23 4.77 -1.26 -1.25 117.00 118.97 2ww3 n LEU 311 Ca 0.29 -0.01 -0.27 0.00 -0.03 0.00 0.00 56.01 55.99 2ww3 n LEU 311 Cb 0.89 -0.04 -0.14 0.00 -2.33 0.00 0.00 43.42 41.80 2ww3 n LEU 311 CO 0.13 0.50 -0.54 -0.36 -1.33 0.00 0.00 177.39 175.79 2ww3 s PHE 312 N -2.03 2.04 0.49 -1.77 0.40 -1.26 -3.53 117.98 112.32 2ww3 s PHE 312 Ca -0.02 -0.39 -0.22 0.00 -0.60 0.00 0.00 56.93 55.70 2ww3 s PHE 312 Cb 0.00 -1.17 -0.07 0.00 0.51 0.00 0.00 43.02 42.30 2ww3 s PHE 312 CO 0.03 0.19 1.13 -1.25 0.70 0.00 0.00 175.22 176.01 2ww3 s PRO 313 N -1.57 3.67 0.50 0.24 0.04 -1.26 -4.91 135.00 131.70 2ww3 s PRO 313 Ca 0.10 1.65 -0.19 0.00 0.04 0.00 0.00 61.00 62.59 2ww3 s PRO 313 Cb -0.10 -2.25 -0.08 0.00 0.04 0.00 0.00 34.50 32.12 2ww3 s PRO 313 CO 0.03 -0.60 1.01 -0.98 0.04 0.00 0.00 177.00 176.51 2ww3 s ARG 314 N -2.94 3.84 0.49 4.56 1.70 0.33 -4.71 118.95 122.21 2ww3 s ARG 314 Ca 0.67 1.22 -0.24 0.00 -0.47 0.00 0.00 55.73 56.91 2ww3 s ARG 314 Cb -0.25 -2.11 -0.07 0.00 -0.57 0.00 0.00 34.95 31.95 2ww3 s ARG 314 CO 0.30 -0.38 1.31 1.63 -1.08 0.00 0.00 175.30 177.07 2ww3 n LYS 315 N -1.16 1.83 -0.39 3.89 5.02 0.72 -2.00 118.16 126.07 2ww3 n LYS 315 Ca 0.08 0.66 0.03 0.00 -2.02 0.00 0.00 58.31 57.07 2ww3 n LYS 315 Cb 0.53 -2.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.10 2ww3 n LYS 315 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2ww3 n PHE 316 N -0.62 0.00 -4.28 2.13 7.35 0.78 -3.98 117.46 118.84 2ww3 n PHE 316 Ca 0.08 -0.35 -0.24 0.00 -0.76 0.00 0.00 57.45 56.18 2ww3 n PHE 316 Cb 0.42 -0.09 -0.07 0.00 0.35 0.00 0.00 39.48 40.09 2ww3 n PHE 316 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 2ww3 s TYR 317 N -0.95 2.72 0.17 -5.13 -0.85 -1.18 -4.45 117.35 107.67 2ww3 s TYR 317 Ca 0.12 -0.21 0.04 0.00 -0.52 0.00 0.00 57.07 56.50 2ww3 s TYR 317 Cb 0.10 -1.24 -0.05 0.00 0.38 0.00 0.00 41.96 41.16 2ww3 s TYR 317 CO 0.00 0.59 -0.07 -1.21 -1.52 0.00 0.00 175.55 173.34 2ww3 s GLU 318 N -3.46 1.14 -0.26 -3.49 2.02 0.21 -4.94 118.70 109.92 2ww3 s GLU 318 Ca 0.30 -1.52 -0.11 0.00 0.02 0.00 0.00 54.97 53.67 2ww3 s GLU 318 Cb -0.07 -0.61 -0.05 0.00 0.10 0.00 0.00 34.13 33.50 2ww3 s GLU 318 CO 0.19 0.02 0.17 -0.51 0.02 0.00 0.00 175.26 175.15 2ww3 s LEU 319 N -3.21 4.03 1.08 1.80 2.01 -1.26 -0.47 118.68 122.66 2ww3 s LEU 319 Ca 0.20 0.04 -0.18 0.00 0.01 0.00 0.00 54.13 54.20 2ww3 s LEU 319 Cb 0.03 -2.10 0.25 0.00 0.01 0.00 0.00 46.19 44.38 2ww3 s LEU 319 CO 0.03 0.01 1.25 1.51 1.01 0.00 0.00 176.35 180.16 2ww3 s ASP 320 N 1.41 2.03 0.49 2.29 1.47 -0.21 -4.82 116.67 119.33 2ww3 s ASP 320 Ca 0.07 0.33 0.28 0.00 1.18 0.00 0.00 52.55 54.42 2ww3 s ASP 320 Cb -0.15 -0.39 1.36 0.00 -0.34 0.00 0.00 42.92 43.40 2ww3 s ASP 320 CO 0.07 -3.41 1.83 0.00 0.68 0.00 0.00 175.17 174.35 2ww3 h ALA 321 N -2.11 2.69 -0.47 2.11 0.00 -1.99 0.25 119.26 119.74 2ww3 h ALA 321 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2ww3 h ALA 321 Cb 1.25 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2ww3 h ALA 321 CO 0.33 -1.01 0.00 0.09 0.00 0.00 0.00 179.25 178.65 2ww3 n ASN 322 N -4.36 2.64 -0.15 0.00 3.02 -1.26 -4.89 115.26 110.25 2ww3 n ASN 322 Ca 0.22 -2.03 -0.02 0.00 -0.03 0.00 0.00 54.58 52.72 2ww3 n ASN 322 Cb 0.98 -0.34 -0.01 0.00 -0.61 0.00 0.00 39.78 39.81 2ww3 n ASN 322 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ww3 n GLY 323 N 1.21 0.54 3.84 7.41 0.00 0.86 -5.03 105.19 114.02 2ww3 n GLY 323 Ca 0.16 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 2ww3 n GLY 323 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ww3 s GLN 324 N -2.03 3.26 0.11 1.61 -1.52 -1.25 -4.76 119.66 115.07 2ww3 s GLN 324 Ca 0.00 -0.35 -0.31 0.00 -1.95 0.00 0.00 55.36 52.75 2ww3 s GLN 324 Cb 0.00 -3.00 -0.10 0.00 -0.22 0.00 0.00 33.01 29.69 2ww3 s GLN 324 CO 0.00 0.69 1.75 -1.25 -0.25 0.00 0.00 175.29 176.23 2ww3 s PRO 325 N -1.61 4.16 0.17 2.91 0.04 -1.26 -1.04 135.00 138.37 2ww3 s PRO 325 Ca 0.22 2.49 0.02 0.00 0.04 0.00 0.00 61.00 63.77 2ww3 s PRO 325 Cb -0.12 -3.57 -0.05 0.00 0.04 0.00 0.00 34.50 30.80 2ww3 s PRO 325 CO 0.13 -0.79 -0.01 0.96 0.04 0.00 0.00 177.00 177.32 2ww3 s ILE 326 N 2.63 0.75 -0.10 0.56 -4.36 0.37 -0.70 121.20 120.36 2ww3 s ILE 326 Ca 0.78 -1.99 -0.17 0.00 -0.26 0.00 0.00 60.65 59.01 2ww3 s ILE 326 Cb -0.44 -2.08 0.04 0.00 1.25 0.00 0.00 42.46 41.24 2ww3 s ILE 326 CO 0.35 -0.52 0.43 -1.38 0.24 0.00 0.00 174.94 174.05 2ww3 s HIS 327 N -3.61 -0.40 0.21 1.37 -3.43 0.09 0.66 115.29 110.17 2ww3 s HIS 327 Ca 0.23 0.86 -0.30 0.00 -0.80 0.00 0.00 55.06 55.05 2ww3 s HIS 327 Cb 0.06 0.17 -0.10 0.00 -1.43 0.00 0.00 32.58 31.28 2ww3 s HIS 327 CO 0.03 -0.34 1.44 -0.47 -2.00 0.00 0.00 174.74 173.41 2ww3 s TYR 328 N -0.49 3.09 -0.32 0.38 5.04 -1.26 -0.61 117.35 123.18 2ww3 s TYR 328 Ca -0.06 0.96 -0.24 0.00 -2.44 0.00 0.00 57.07 55.29 2ww3 s TYR 328 Cb -0.03 -3.80 0.00 0.00 0.35 0.00 0.00 41.96 38.49 2ww3 s TYR 328 CO 0.03 -2.68 0.83 0.45 -1.34 0.00 0.00 175.55 172.84 2ww3 s SER 329 N 0.61 6.68 0.00 4.32 0.15 0.45 -4.89 113.70 121.03 2ww3 s SER 329 Ca 0.62 0.67 0.23 0.00 0.70 0.00 0.00 55.95 58.17 2ww3 s SER 329 Cb -0.41 -2.43 1.30 0.00 -1.71 0.00 0.00 66.02 62.78 2ww3 s SER 329 CO 0.38 -0.68 1.77 -0.81 1.20 0.00 0.00 173.24 175.11 2ww3 n PRO 330 N 6.35 0.56 -0.12 5.44 -0.04 -1.26 -0.86 135.00 145.07 2ww3 n PRO 330 Ca 0.05 0.03 -0.22 0.00 -0.04 0.00 0.00 63.50 63.32 2ww3 n PRO 330 Cb 0.48 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.32 2ww3 n PRO 330 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ww3 n TYR 331 N -1.13 0.19 -0.74 0.54 4.01 -1.26 -4.05 117.16 114.72 2ww3 n TYR 331 Ca 0.15 0.05 0.02 0.00 -0.16 0.00 0.00 57.90 57.96 2ww3 n TYR 331 Cb 0.13 -1.02 0.02 0.00 -0.31 0.00 0.00 39.34 38.16 2ww3 n TYR 331 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2ww3 n ASN 332 N -3.63 1.20 -0.01 7.72 0.23 -1.24 -4.83 115.26 114.71 2ww3 n ASN 332 Ca -0.46 -1.88 -0.00 0.00 -0.53 0.00 0.00 54.58 51.70 2ww3 n ASN 332 Cb 0.95 -0.10 -0.00 0.00 -2.08 0.00 0.00 39.78 38.55 2ww3 n ASN 332 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ww3 n GLY 333 N -0.44 0.12 3.95 4.83 0.00 -0.04 -4.98 105.19 108.63 2ww3 n GLY 333 Ca 0.03 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 2ww3 n GLY 333 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ww3 s GLN 334 N -1.58 2.45 -0.20 1.61 -0.21 -1.26 -4.77 119.66 115.70 2ww3 s GLN 334 Ca 0.00 -0.45 -0.04 0.00 0.02 0.00 0.00 55.36 54.89 2ww3 s GLN 334 Cb 0.00 -2.33 -0.02 0.00 1.00 0.00 0.00 33.01 31.67 2ww3 s GLN 334 CO 0.00 -0.93 -0.03 0.08 -2.12 0.00 0.00 175.29 172.29 2ww3 s VAL 335 N -2.99 3.66 0.10 1.09 1.01 -1.26 -0.41 120.40 121.60 2ww3 s VAL 335 Ca 0.58 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.18 2ww3 s VAL 335 Cb -0.11 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2ww3 s VAL 335 CO 0.42 0.44 -0.09 -0.76 0.00 0.00 0.00 175.10 175.11 2ww3 s LEU 336 N 1.10 2.46 0.70 3.92 1.43 0.22 -4.95 118.68 123.55 2ww3 s LEU 336 Ca 0.02 -0.90 -0.12 0.00 -1.03 0.00 0.00 54.13 52.09 2ww3 s LEU 336 Cb -0.15 -0.21 0.02 0.00 0.03 0.00 0.00 46.19 45.88 2ww3 s LEU 336 CO 0.00 -0.35 1.08 -2.16 0.23 0.00 0.00 176.35 175.16 2ww3 s PRO 337 N -3.27 2.71 0.00 1.29 0.04 -1.26 -0.73 135.00 133.78 2ww3 s PRO 337 Ca 0.09 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.28 2ww3 s PRO 337 Cb 0.01 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2ww3 s PRO 337 CO -0.02 -1.29 0.00 0.41 0.04 0.00 0.00 177.00 176.14 2ww3 n GLY 338 N -1.29 0.88 3.80 0.56 0.00 0.13 -4.76 105.19 104.51 2ww3 n GLY 338 Ca 0.09 -2.06 -0.34 0.00 0.00 0.00 0.00 46.02 43.71 2ww3 n GLY 338 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ww3 s TYR 339 N -1.50 3.05 -0.19 1.61 2.02 -1.26 -4.03 117.35 117.05 2ww3 s TYR 339 Ca 0.00 1.56 -0.16 0.00 -0.37 0.00 0.00 57.07 58.11 2ww3 s TYR 339 Cb 0.00 -3.02 0.05 0.00 -0.40 0.00 0.00 41.96 38.59 2ww3 s TYR 339 CO 0.00 -0.78 0.50 1.41 -1.57 0.00 0.00 175.55 175.11 2ww3 s MET 340 N -3.41 0.56 0.15 -0.62 -2.45 -1.26 -3.87 119.30 108.40 2ww3 s MET 340 Ca 0.66 0.75 0.02 0.00 -1.25 0.00 0.00 55.69 55.87 2ww3 s MET 340 Cb -0.15 0.22 -0.04 0.00 1.25 0.00 0.00 34.83 36.10 2ww3 s MET 340 CO 0.23 -0.09 -0.04 -0.06 1.05 0.00 0.00 175.02 176.10 2ww3 s PHE 341 N 0.58 1.16 0.23 4.11 0.40 -1.26 -0.16 117.98 123.05 2ww3 s PHE 341 Ca -0.03 -0.92 -0.12 0.00 -0.60 0.00 0.00 56.93 55.26 2ww3 s PHE 341 Cb -0.05 -0.65 0.05 0.00 0.51 0.00 0.00 43.02 42.88 2ww3 s PHE 341 CO -0.03 -0.12 0.61 -2.37 0.70 0.00 0.00 175.22 174.01 2ww3 n THR 342 N -0.19 0.00 -2.41 0.64 5.66 -0.85 -4.86 114.28 112.27 2ww3 n THR 342 Ca -0.09 -0.60 -0.07 0.00 -3.05 0.00 0.00 64.05 60.23 2ww3 n THR 342 Cb 0.62 0.65 0.04 0.00 -1.55 0.00 0.00 70.33 70.08 2ww3 n THR 342 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2ww3 n ASP 343 N -1.29 -3.79 -3.68 1.09 8.00 -0.54 -0.52 116.55 115.84 2ww3 n ASP 343 Ca -0.05 -0.33 -0.14 0.00 0.71 0.00 0.00 54.79 54.97 2ww3 n ASP 343 Cb 0.41 -2.76 -0.08 0.00 -0.02 0.00 0.00 41.12 38.67 2ww3 n ASP 343 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2ww3 s THR 344 N -3.18 0.02 -0.26 -3.53 -1.32 -1.16 -4.36 115.64 101.85 2ww3 s THR 344 Ca 0.18 -0.15 -0.06 0.00 -1.21 0.00 0.00 61.69 60.45 2ww3 s THR 344 Cb -0.02 -0.75 -0.01 0.00 -1.51 0.00 0.00 72.50 70.21 2ww3 s THR 344 CO 0.36 -0.08 0.05 -0.83 -2.21 0.00 0.00 174.62 171.90 2ww3 s GLY 345 N -0.56 1.74 0.55 6.08 0.00 -1.26 -2.59 107.32 111.28 2ww3 s GLY 345 Ca -0.07 -1.27 0.24 0.00 0.00 0.00 0.00 44.72 43.61 2ww3 s GLY 345 CO 0.04 0.56 2.20 0.74 0.00 0.00 0.00 173.10 176.64 2ww3 h PHE 346 N 8.20 0.00 -0.75 1.90 0.04 -0.87 0.62 116.94 126.08 2ww3 h PHE 346 Ca -0.36 0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.54 2ww3 h PHE 346 Cb 1.15 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.25 2ww3 h PHE 346 CO 0.63 0.01 0.50 2.35 -0.60 0.00 0.00 178.31 181.20 2ww3 h TRP 347 N 0.00 0.57 0.02 -0.55 7.01 -1.83 -0.73 115.95 120.44 2ww3 h TRP 347 Ca -0.00 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.01 2ww3 h TRP 347 Cb 0.02 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 26.90 2ww3 h TRP 347 CO 0.00 0.23 -0.01 -0.44 -2.79 0.00 0.00 178.44 175.43 2ww3 h ASP 348 N 0.50 -0.03 0.42 2.65 3.45 -1.29 -3.43 116.42 118.70 2ww3 h ASP 348 Ca 0.36 -0.53 0.00 0.00 0.43 0.00 0.00 57.03 57.30 2ww3 h ASP 348 Cb 0.71 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.49 2ww3 h ASP 348 CO -0.13 0.72 -0.43 0.35 -1.57 0.00 0.00 179.24 178.19 2ww3 n THR 349 N -4.72 0.00 0.18 0.35 -2.24 -0.71 -3.45 114.28 103.69 2ww3 n THR 349 Ca -0.06 -0.04 0.03 0.00 -2.27 0.00 0.00 64.05 61.71 2ww3 n THR 349 Cb 0.27 0.29 0.36 0.00 -2.10 0.00 0.00 70.33 69.14 2ww3 n THR 349 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 2ww3 h PHE 350 N 0.35 0.00 0.55 4.78 -0.00 -1.42 -2.22 116.94 118.98 2ww3 h PHE 350 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 57.94 2ww3 h PHE 350 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.45 2ww3 h PHE 350 CO 0.00 0.39 -0.28 0.00 -0.00 0.00 0.00 178.31 178.42 2ww3 h ARG 351 N 0.00 -0.73 0.00 6.09 3.08 -1.79 -3.42 114.38 117.60 2ww3 h ARG 351 Ca -0.00 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2ww3 h ARG 351 Cb 0.72 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.94 2ww3 h ARG 351 CO 0.05 -0.49 0.00 0.00 -1.07 0.00 0.00 179.97 178.46 2ww3 h LEU 353 N 0.00 -0.40 -0.60 0.00 7.12 -1.78 -1.01 115.31 118.65 2ww3 h LEU 353 Ca 0.00 -0.13 -0.12 0.00 0.13 0.00 0.00 57.88 57.76 2ww3 h LEU 353 Cb 0.00 0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.22 2ww3 h LEU 353 CO 0.00 -0.07 -0.15 -0.26 -0.13 0.00 0.00 178.44 177.83 2ww3 h PHE 354 N -0.75 1.07 -0.92 1.25 0.04 -1.69 -2.36 116.94 113.58 2ww3 h PHE 354 Ca -0.05 -0.23 0.16 0.00 2.80 0.00 0.00 57.97 60.65 2ww3 h PHE 354 Cb 0.51 -0.26 -0.10 0.00 2.20 0.00 0.00 35.95 38.30 2ww3 h PHE 354 CO 0.01 1.02 0.52 -1.35 -0.60 0.00 0.00 178.31 177.91 2ww3 h PRO 355 N 0.84 0.70 -0.72 1.51 0.11 -1.80 -0.94 132.00 131.69 2ww3 h PRO 355 Ca 0.13 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.25 2ww3 h PRO 355 Cb 0.70 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 31.60 2ww3 h PRO 355 CO 0.05 0.46 0.43 1.25 -0.21 0.00 0.00 178.00 179.98 2ww3 h LEU 356 N 0.72 0.66 -0.68 2.35 5.85 -0.64 -0.73 115.31 122.85 2ww3 h LEU 356 Ca 0.50 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.25 2ww3 h LEU 356 Cb 0.71 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 2ww3 h LEU 356 CO -0.36 0.43 0.43 -0.07 -0.34 0.00 0.00 178.44 178.54 2ww3 h LEU 357 N 0.80 0.79 -1.79 2.25 3.38 -1.08 0.17 115.31 119.83 2ww3 h LEU 357 Ca 0.32 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 2ww3 h LEU 357 Cb 0.15 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2ww3 h LEU 357 CO -0.16 0.59 -0.01 0.78 0.09 0.00 0.00 178.44 179.73 2ww3 h ASN 358 N 0.92 0.11 0.06 -0.43 -0.26 -0.22 0.44 115.58 116.19 2ww3 h ASN 358 Ca 0.25 -0.01 -0.00 0.00 -0.56 0.00 0.00 56.30 55.98 2ww3 h ASN 358 Cb -0.08 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.16 2ww3 h ASN 358 CO -0.05 0.14 -0.03 0.25 -1.06 0.00 0.00 177.43 176.68 2ww3 h LEU 359 N 0.12 -0.07 0.00 1.61 5.85 -0.80 -3.40 115.31 118.62 2ww3 h LEU 359 Ca 0.03 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2ww3 h LEU 359 Cb 0.10 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2ww3 h LEU 359 CO 0.00 0.57 -1.63 0.23 -0.34 0.00 0.00 178.44 177.28 2ww3 n MET 360 N -4.79 0.68 -2.70 1.25 2.81 0.56 -4.69 117.12 110.23 2ww3 n MET 360 Ca -0.05 -0.13 -0.07 0.00 -1.81 0.00 0.00 57.70 55.64 2ww3 n MET 360 Cb 0.20 -1.41 0.05 0.00 -0.71 0.00 0.00 33.22 31.35 2ww3 n MET 360 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2ww3 n TYR 361 N -1.99 0.65 0.13 2.03 4.01 0.13 -4.64 117.16 117.48 2ww3 n TYR 361 Ca -0.02 -2.51 0.06 0.00 -0.16 0.00 0.00 57.90 55.27 2ww3 n TYR 361 Cb 0.43 -0.05 0.53 0.00 -0.31 0.00 0.00 39.34 39.94 2ww3 n TYR 361 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2ww3 h PRO 362 N 2.73 0.27 0.00 -0.72 0.13 -1.10 0.75 132.00 134.05 2ww3 h PRO 362 Ca -0.14 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.95 2ww3 h PRO 362 Cb 1.22 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2ww3 h PRO 362 CO 0.34 0.18 -0.12 0.66 -0.23 0.00 0.00 178.00 178.83 2ww3 h SER 363 N 0.28 0.00 0.33 1.44 4.64 -1.93 -0.78 113.55 117.53 2ww3 h SER 363 Ca 0.08 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.07 2ww3 h SER 363 Cb -0.03 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.09 2ww3 h SER 363 CO -0.02 0.12 -1.41 0.58 -0.87 0.00 0.00 176.83 175.23 2ww3 h VAL 364 N 0.00 1.33 0.00 0.95 2.07 -1.21 -3.23 116.25 116.16 2ww3 h VAL 364 Ca -0.00 -2.76 -0.05 0.00 0.82 0.00 0.00 66.70 64.71 2ww3 h VAL 364 Cb 0.27 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 2ww3 h VAL 364 CO 0.02 0.82 -0.25 -1.13 0.02 0.00 0.00 177.57 177.05 2ww3 h ASN 365 N 0.14 0.00 -0.47 0.57 -1.24 -1.05 -2.42 115.58 111.11 2ww3 h ASN 365 Ca -0.23 0.00 0.05 0.00 0.71 0.00 0.00 56.30 56.84 2ww3 h ASN 365 Cb 2.11 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 41.11 2ww3 h ASN 365 CO 0.26 0.25 0.20 0.50 -1.29 0.00 0.00 177.43 177.35 2ww3 h LYS 366 N 0.00 0.39 0.14 6.67 1.63 -1.17 0.64 116.57 124.87 2ww3 h LYS 366 Ca -0.00 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2ww3 h LYS 366 Cb 0.62 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 2ww3 h LYS 366 CO 0.03 0.26 -0.07 0.93 -3.45 0.00 0.00 179.45 177.15 2ww3 h GLU 367 N 0.40 -0.19 -0.47 1.90 5.08 -1.49 -1.41 114.58 118.39 2ww3 h GLU 367 Ca 0.21 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.67 2ww3 h GLU 367 Cb 0.17 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 2ww3 h GLU 367 CO -0.19 -0.09 0.08 0.52 -1.00 0.00 0.00 179.01 178.33 2ww3 h MET 368 N -0.24 0.21 -0.54 2.33 2.86 -0.98 0.46 114.93 119.02 2ww3 h MET 368 Ca -0.02 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 2ww3 h MET 368 Cb 0.19 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 2ww3 h MET 368 CO 0.03 0.14 0.28 1.96 1.06 0.00 0.00 176.91 180.38 2ww3 h GLN 369 N 0.21 0.77 -0.70 1.72 1.08 0.51 0.02 115.11 118.72 2ww3 h GLN 369 Ca 0.23 -0.10 0.08 0.00 -1.45 0.00 0.00 58.65 57.41 2ww3 h GLN 369 Cb 0.31 -0.14 -0.06 0.00 -0.05 0.00 0.00 27.48 27.53 2ww3 h GLN 369 CO -0.32 0.61 0.37 0.93 -0.95 0.00 0.00 178.83 179.48 2ww3 h GLU 370 N 0.73 0.64 -0.83 1.46 4.39 -0.90 0.42 114.58 120.48 2ww3 h GLU 370 Ca 0.19 -0.04 0.13 0.00 0.34 0.00 0.00 59.36 59.98 2ww3 h GLU 370 Cb 0.08 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 28.53 2ww3 h GLU 370 CO -0.03 0.42 0.54 0.78 -1.16 0.00 0.00 179.01 179.57 2ww3 h GLY 371 N 0.66 1.06 1.09 -3.84 0.00 0.33 -1.88 103.07 100.48 2ww3 h GLY 371 Ca 0.33 -0.28 -0.15 0.00 0.00 0.00 0.00 47.33 47.23 2ww3 h GLY 371 CO -0.23 0.11 -0.37 1.41 0.00 0.00 0.00 176.54 177.46 2ww3 h LEU 372 N 0.65 0.94 -0.11 3.11 3.38 0.90 -0.06 115.31 124.12 2ww3 h LEU 372 Ca 0.41 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2ww3 h LEU 372 Cb 0.65 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 2ww3 h LEU 372 CO -0.17 1.22 -0.32 0.40 0.09 0.00 0.00 178.44 179.66 2ww3 h ILE 373 N 0.68 0.29 -1.00 1.22 1.08 -0.78 -1.56 117.51 117.43 2ww3 h ILE 373 Ca 0.05 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.61 2ww3 h ILE 373 Cb 0.96 0.29 -0.07 0.00 -3.07 0.00 0.00 36.82 34.93 2ww3 h ILE 373 CO 0.09 0.00 0.64 0.78 -0.69 0.00 0.00 178.15 178.97 2ww3 h ASN 374 N -0.41 1.00 -0.83 1.72 -0.26 -0.96 0.16 115.58 116.01 2ww3 h ASN 374 Ca 0.09 0.02 0.08 0.00 -0.56 0.00 0.00 56.30 55.93 2ww3 h ASN 374 Cb 0.55 -0.19 -0.07 0.00 -1.06 0.00 0.00 38.32 37.55 2ww3 h ASN 374 CO -0.34 0.61 0.50 0.74 -1.06 0.00 0.00 177.43 177.88 2ww3 h THR 375 N 1.12 0.98 -0.34 2.81 2.02 -0.55 0.47 112.91 119.43 2ww3 h THR 375 Ca 0.45 -0.30 -0.10 0.00 0.77 0.00 0.00 66.41 67.23 2ww3 h THR 375 Cb 0.26 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 2ww3 h THR 375 CO -0.20 0.16 -0.17 0.22 0.37 0.00 0.00 175.52 175.90 2ww3 h TYR 376 N 0.88 0.83 -0.62 3.16 3.20 -0.11 -1.04 116.97 123.26 2ww3 h TYR 376 Ca 0.38 -0.21 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 2ww3 h TYR 376 Cb 0.25 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 2ww3 h TYR 376 CO -0.05 0.92 0.30 -0.07 -1.64 0.00 0.00 178.16 177.62 2ww3 h LEU 377 N 0.49 0.80 0.00 2.82 3.38 -0.54 -0.11 115.31 122.15 2ww3 h LEU 377 Ca 0.08 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2ww3 h LEU 377 Cb 0.71 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2ww3 h LEU 377 CO 0.05 0.68 -0.97 -0.62 0.09 0.00 0.00 178.44 177.67 2ww3 n GLU 378 N -4.35 0.46 0.00 1.13 1.02 0.11 -4.39 120.64 114.63 2ww3 n GLU 378 Ca 0.06 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2ww3 n GLU 378 Cb 0.13 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 2ww3 n GLU 378 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2ww3 n SER 379 N -2.35 1.75 0.00 1.62 3.41 -0.41 -4.18 113.62 113.46 2ww3 n SER 379 Ca 0.01 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 2ww3 n SER 379 Cb 0.50 0.71 0.00 0.00 -0.26 0.00 0.00 64.21 65.16 2ww3 n SER 379 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ww3 n GLY 380 N 1.24 1.30 3.04 5.00 0.00 -0.06 -5.03 105.19 110.68 2ww3 n GLY 380 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2ww3 n GLY 380 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ww3 s PHE 381 N -2.74 0.25 0.51 1.61 0.40 -1.25 -4.95 117.98 111.80 2ww3 s PHE 381 Ca 0.00 -0.54 -0.20 0.00 -0.60 0.00 0.00 56.93 55.59 2ww3 s PHE 381 Cb 0.00 -0.19 -0.07 0.00 0.51 0.00 0.00 43.02 43.27 2ww3 s PHE 381 CO 0.00 -0.26 1.08 -0.06 0.70 0.00 0.00 175.22 176.68 2ww3 s PHE 382 N -2.00 2.87 0.69 0.36 0.08 -1.26 -3.50 117.98 115.21 2ww3 s PHE 382 Ca -0.11 1.56 -0.11 0.00 0.12 0.00 0.00 56.93 58.40 2ww3 s PHE 382 Cb -0.06 -3.17 0.00 0.00 -0.57 0.00 0.00 43.02 39.23 2ww3 s PHE 382 CO -0.02 -1.15 1.06 -1.25 -0.10 0.00 0.00 175.22 173.76 2ww3 s PRO 383 N -3.22 3.03 0.05 0.24 0.04 -1.26 -4.48 135.00 129.41 2ww3 s PRO 383 Ca 0.69 0.76 -0.03 0.00 0.04 0.00 0.00 61.00 62.47 2ww3 s PRO 383 Cb -0.20 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 2ww3 s PRO 383 CO 0.23 -0.98 -0.05 0.39 0.04 0.00 0.00 177.00 176.63 2ww3 n GLU 384 N -3.02 0.08 -4.38 4.56 -0.58 -1.26 -4.57 120.64 111.46 2ww3 n GLU 384 Ca 0.07 0.03 -0.34 0.00 -0.42 0.00 0.00 57.16 56.50 2ww3 n GLU 384 Cb 0.55 -0.60 -0.13 0.00 -0.57 0.00 0.00 31.44 30.68 2ww3 n GLU 384 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 2ww3 s TRP 385 N -2.05 2.95 -0.08 -0.32 -0.00 -1.26 -0.11 118.94 118.07 2ww3 s TRP 385 Ca -0.04 -0.55 0.01 0.00 -0.00 0.00 0.00 56.10 55.52 2ww3 s TRP 385 Cb 0.01 -1.97 0.02 0.00 -0.00 0.00 0.00 33.47 31.53 2ww3 s TRP 385 CO 0.06 -0.21 -0.11 0.00 -0.00 0.00 0.00 176.95 176.69 2ww3 s ALA 386 N 0.65 1.29 -0.41 5.86 0.00 -1.07 -1.82 121.76 126.26 2ww3 s ALA 386 Ca -0.04 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.50 2ww3 s ALA 386 Cb -0.15 -0.69 0.19 0.00 0.00 0.00 0.00 23.12 22.47 2ww3 s ALA 386 CO 0.02 -0.07 0.75 0.45 0.00 0.00 0.00 175.76 176.91 2ww3 s SER 387 N 1.01 -1.25 0.24 0.00 0.15 -1.26 -1.46 113.70 111.13 2ww3 s SER 387 Ca -0.08 -0.84 0.23 0.00 0.70 0.00 0.00 55.95 55.96 2ww3 s SER 387 Cb -0.15 1.61 0.07 0.00 -1.71 0.00 0.00 66.02 65.84 2ww3 s SER 387 CO -0.00 -0.12 1.15 1.55 1.20 0.00 0.00 173.24 177.02 2ww3 h PRO 388 N 6.19 0.00 0.00 5.44 0.13 -1.77 -3.42 132.00 138.56 2ww3 h PRO 388 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2ww3 h PRO 388 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2ww3 h PRO 388 CO 0.04 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.22 2ww3 n GLY 389 N 1.17 1.13 3.71 1.56 0.00 0.68 -4.71 105.19 108.74 2ww3 n GLY 389 Ca 0.01 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 2ww3 n GLY 389 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ww3 s HIS 390 N 0.97 3.05 -0.01 1.61 3.76 -1.26 -4.24 115.29 119.17 2ww3 s HIS 390 Ca 0.00 0.72 0.04 0.00 -0.15 0.00 0.00 55.06 55.67 2ww3 s HIS 390 Cb 0.00 -3.83 -0.01 0.00 1.11 0.00 0.00 32.58 29.85 2ww3 s HIS 390 CO 0.00 -3.05 -0.13 1.03 -0.85 0.00 0.00 174.74 171.74 2ww3 s ARG 391 N 1.33 1.04 -0.69 1.40 1.81 -0.75 -4.32 118.95 118.77 2ww3 s ARG 391 Ca 0.68 -0.45 -0.26 0.00 -1.72 0.00 0.00 55.73 53.98 2ww3 s ARG 391 Cb -0.40 -1.00 0.04 0.00 -0.45 0.00 0.00 34.95 33.14 2ww3 s ARG 391 CO 0.31 0.26 1.18 0.20 -0.68 0.00 0.00 175.30 176.57 2ww3 s GLY 392 N -0.27 1.05 -0.27 -3.53 0.00 -1.26 -4.42 107.32 98.62 2ww3 s GLY 392 Ca 0.04 -1.37 -0.22 0.00 0.00 0.00 0.00 44.72 43.17 2ww3 s GLY 392 CO -0.00 2.47 0.71 0.00 0.00 0.00 0.00 173.10 176.28 2ww3 n MET 394 N 3.14 0.00 -3.70 0.00 2.81 -1.26 -4.65 117.12 113.46 2ww3 n MET 394 Ca -0.16 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.60 2ww3 n MET 394 Cb 0.56 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 33.04 2ww3 n MET 394 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2ww3 n VAL 395 N 0.00 0.00 0.00 2.03 0.24 -1.26 -4.76 118.33 114.58 2ww3 n VAL 395 Ca 0.00 -1.61 0.00 0.00 -2.04 0.00 0.00 64.34 60.69 2ww3 n VAL 395 Cb 0.00 0.97 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 2ww3 n VAL 395 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ww3 n GLY 396 N -0.51 -0.09 1.94 7.63 0.00 -1.26 -4.66 105.19 108.24 2ww3 n GLY 396 Ca 0.01 -1.89 -0.15 0.00 0.00 0.00 0.00 46.02 43.99 2ww3 n GLY 396 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ww3 n ASN 397 N -0.49 3.76 0.00 1.61 4.05 -1.26 -4.84 115.26 118.10 2ww3 n ASN 397 Ca 0.00 -3.42 0.04 0.00 0.45 0.00 0.00 54.58 51.66 2ww3 n ASN 397 Cb 0.00 -0.39 0.23 0.00 1.23 0.00 0.00 39.78 40.85 2ww3 n ASN 397 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2ww3 n ASN 398 N -0.71 0.00 -0.04 1.20 4.13 -1.26 -1.51 115.26 117.08 2ww3 n ASN 398 Ca 0.33 0.08 0.16 0.00 1.68 0.00 0.00 54.58 56.83 2ww3 n ASN 398 Cb 0.91 -0.23 0.60 0.00 -1.54 0.00 0.00 39.78 39.52 2ww3 n ASN 398 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2ww3 h SER 399 N 0.00 0.17 -0.92 6.41 4.64 -1.91 -1.94 113.55 120.01 2ww3 h SER 399 Ca 0.00 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2ww3 h SER 399 Cb 0.07 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.08 2ww3 h SER 399 CO 0.00 0.10 0.59 0.00 -0.87 0.00 0.00 176.83 176.65 2ww3 h ALA 400 N 1.72 1.16 0.11 5.18 0.00 -1.62 0.44 119.26 126.25 2ww3 h ALA 400 Ca 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2ww3 h ALA 400 Cb 0.79 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2ww3 h ALA 400 CO -0.04 0.58 -0.05 1.03 0.00 0.00 0.00 179.25 180.76 2ww3 h SER 401 N 1.25 -0.12 -0.34 0.00 0.87 -1.59 -0.85 113.55 112.77 2ww3 h SER 401 Ca 0.33 -0.10 0.07 0.00 -1.23 0.00 0.00 61.79 60.87 2ww3 h SER 401 Cb -0.12 0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 61.79 2ww3 h SER 401 CO -0.07 0.03 -0.25 0.40 -0.53 0.00 0.00 176.83 176.40 2ww3 h ILE 402 N -0.27 0.35 -0.22 2.23 1.08 -1.07 0.16 117.51 119.77 2ww3 h ILE 402 Ca -0.01 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.40 2ww3 h ILE 402 Cb 0.22 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.31 2ww3 h ILE 402 CO 0.02 0.00 -0.06 -0.07 -0.69 0.00 0.00 178.15 177.35 2ww3 h LEU 403 N -0.21 0.44 -0.26 1.44 3.38 -0.88 -2.80 115.31 116.41 2ww3 h LEU 403 Ca 0.17 -0.37 -0.21 0.00 0.09 0.00 0.00 57.88 57.55 2ww3 h LEU 403 Cb 0.48 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2ww3 h LEU 403 CO -0.46 0.71 -0.80 0.58 0.09 0.00 0.00 178.44 178.55 2ww3 h VAL 404 N 0.16 1.34 -0.41 1.22 2.07 -0.99 -2.42 116.25 117.22 2ww3 h VAL 404 Ca 0.05 -2.15 -0.02 0.00 0.82 0.00 0.00 66.70 65.41 2ww3 h VAL 404 Cb 0.52 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 2ww3 h VAL 404 CO 0.02 0.66 0.20 -0.78 0.02 0.00 0.00 177.57 177.69 2ww3 h ASP 405 N 0.36 0.54 -0.20 0.57 3.58 -0.71 -0.85 116.42 119.72 2ww3 h ASP 405 Ca -0.05 -0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.28 2ww3 h ASP 405 Cb 1.41 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 42.30 2ww3 h ASP 405 CO 0.15 0.52 0.08 0.00 -2.88 0.00 0.00 179.24 177.11 2ww3 h ALA 406 N 1.04 0.22 -0.16 -0.78 0.00 -1.45 -1.75 119.26 116.38 2ww3 h ALA 406 Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2ww3 h ALA 406 Cb 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2ww3 h ALA 406 CO -0.02 -0.35 0.10 -0.92 0.00 0.00 0.00 179.25 178.07 2ww3 h TYR 407 N 0.18 0.21 0.00 0.00 5.03 -1.14 0.13 116.97 121.37 2ww3 h TYR 407 Ca 0.08 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.38 2ww3 h TYR 407 Cb 0.04 -0.07 -0.00 0.00 1.55 0.00 0.00 36.73 38.25 2ww3 h TYR 407 CO -0.11 0.15 -0.05 0.52 -1.32 0.00 0.00 178.16 177.35 2ww3 h MET 408 N 0.21 0.00 -0.63 1.82 2.86 -1.10 -1.20 114.93 116.88 2ww3 h MET 408 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2ww3 h MET 408 Cb -0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2ww3 h MET 408 CO -0.01 0.05 0.00 1.63 1.06 0.00 0.00 176.91 179.64 2ww3 n LYS 409 N -3.25 3.17 -0.86 1.72 5.02 -0.67 -4.92 118.16 118.38 2ww3 n LYS 409 Ca -0.01 -2.12 0.00 0.00 -2.02 0.00 0.00 58.31 54.17 2ww3 n LYS 409 Cb 0.25 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.46 2ww3 n LYS 409 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ww3 n GLY 410 N 0.80 0.56 3.33 0.72 0.00 -0.45 -4.97 105.19 105.18 2ww3 n GLY 410 Ca 0.19 -0.08 -0.47 0.00 0.00 0.00 0.00 46.02 45.66 2ww3 n GLY 410 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ww3 s VAL 411 N -2.00 5.64 -0.21 1.61 1.01 0.39 -5.01 120.40 121.84 2ww3 s VAL 411 Ca 0.00 -2.55 -0.05 0.00 0.00 0.00 0.00 61.98 59.38 2ww3 s VAL 411 Cb 0.00 -4.48 -0.02 0.00 0.00 0.00 0.00 36.38 31.87 2ww3 s VAL 411 CO 0.00 -1.05 0.01 -0.54 0.00 0.00 0.00 175.10 173.52 2ww3 s LYS 412 N 0.06 3.62 0.78 2.72 1.02 -1.26 -3.15 119.74 123.52 2ww3 s LYS 412 Ca 0.19 -0.52 -0.12 0.00 0.02 0.00 0.00 55.97 55.55 2ww3 s LYS 412 Cb -0.10 -3.11 0.06 0.00 -0.52 0.00 0.00 37.83 34.17 2ww3 s LYS 412 CO -0.09 -0.02 1.12 0.14 -0.92 0.00 0.00 175.35 175.58 2ww3 s VAL 413 N 1.08 2.98 0.22 3.17 -7.23 -1.26 -4.94 120.40 114.42 2ww3 s VAL 413 Ca 0.02 0.35 -0.06 0.00 -1.81 0.00 0.00 61.98 60.49 2ww3 s VAL 413 Cb -0.14 -2.76 0.10 0.00 0.56 0.00 0.00 36.38 34.13 2ww3 s VAL 413 CO 0.02 -0.38 1.71 0.44 -0.31 0.00 0.00 175.10 176.57 2ww3 h ASP 414 N -1.00 0.92 -3.38 4.85 3.32 -1.98 -3.37 116.42 115.79 2ww3 h ASP 414 Ca -0.44 -0.24 -0.71 0.00 0.02 0.00 0.00 57.03 55.66 2ww3 h ASP 414 Cb 1.25 -0.25 -0.35 0.00 0.22 0.00 0.00 39.33 40.20 2ww3 h ASP 414 CO 0.50 0.97 -0.09 -0.62 -1.72 0.00 0.00 179.24 178.27 2ww3 s ASP 415 N -6.60 6.01 0.52 6.45 2.15 -1.26 -4.90 116.67 119.05 2ww3 s ASP 415 Ca -0.11 -3.68 0.29 0.00 0.43 0.00 0.00 52.55 49.49 2ww3 s ASP 415 Cb 0.14 -1.92 1.40 0.00 -0.30 0.00 0.00 42.92 42.25 2ww3 s ASP 415 CO 0.83 -0.20 2.03 -0.29 -0.17 0.00 0.00 175.17 177.37 2ww3 h ILE 416 N 4.11 0.40 -0.24 4.11 2.10 -1.99 -2.85 117.51 123.15 2ww3 h ILE 416 Ca 0.15 -0.62 -0.09 0.00 1.08 0.00 0.00 64.86 65.38 2ww3 h ILE 416 Cb 0.82 1.45 -0.00 0.00 -1.09 0.00 0.00 36.82 37.99 2ww3 h ILE 416 CO 0.85 0.11 -0.19 0.50 -1.08 0.00 0.00 178.15 178.34 2ww3 h LYS 417 N 0.00 0.55 -0.32 2.19 3.64 -1.96 -2.03 116.57 118.64 2ww3 h LYS 417 Ca -0.00 -0.27 -0.10 0.00 -1.27 0.00 0.00 60.65 59.00 2ww3 h LYS 417 Cb 0.44 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2ww3 h LYS 417 CO 0.01 0.85 -0.23 1.15 -2.27 0.00 0.00 179.45 178.97 2ww3 h THR 418 N 0.26 1.27 0.03 1.00 2.02 -1.96 -2.14 112.91 113.39 2ww3 h THR 418 Ca 0.04 -1.28 0.01 0.00 0.77 0.00 0.00 66.41 65.95 2ww3 h THR 418 Cb 0.73 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 2ww3 h THR 418 CO 0.05 0.42 -0.07 0.25 0.37 0.00 0.00 175.52 176.53 2ww3 h LEU 419 N 0.55 -0.21 -0.31 2.58 5.85 -1.39 0.08 115.31 122.46 2ww3 h LEU 419 Ca 0.08 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2ww3 h LEU 419 Cb 0.68 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 2ww3 h LEU 419 CO 0.05 -0.11 0.18 0.22 -0.34 0.00 0.00 178.44 178.44 2ww3 h TYR 420 N -0.15 0.42 -0.85 1.25 3.20 -1.25 -1.63 116.97 117.97 2ww3 h TYR 420 Ca 0.02 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.93 2ww3 h TYR 420 Cb 0.17 -0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.24 2ww3 h TYR 420 CO -0.13 0.33 0.53 0.93 -1.64 0.00 0.00 178.16 178.19 2ww3 h GLU 421 N 0.39 0.98 -0.48 1.82 5.08 -1.25 -1.67 114.58 119.45 2ww3 h GLU 421 Ca 0.11 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2ww3 h GLU 421 Cb 0.04 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 2ww3 h GLU 421 CO -0.02 0.65 0.25 0.78 -1.00 0.00 0.00 179.01 179.67 2ww3 h GLY 422 N 1.01 0.67 0.96 -3.84 0.00 -0.44 0.37 103.07 101.80 2ww3 h GLY 422 Ca 0.35 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.52 2ww3 h GLY 422 CO -0.14 0.12 0.19 1.41 0.00 0.00 0.00 176.54 178.12 2ww3 h LEU 423 N 0.49 0.32 -0.07 3.11 3.38 -0.68 -1.71 115.31 120.15 2ww3 h LEU 423 Ca 0.21 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 2ww3 h LEU 423 Cb 0.10 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2ww3 h LEU 423 CO -0.14 0.23 0.03 0.40 0.09 0.00 0.00 178.44 179.06 2ww3 h ILE 424 N 0.39 1.09 -0.95 1.22 1.08 -1.01 -2.31 117.51 117.02 2ww3 h ILE 424 Ca 0.12 -0.26 0.21 0.00 -0.39 0.00 0.00 64.86 64.54 2ww3 h ILE 424 Cb -0.02 1.15 -0.12 0.00 -3.07 0.00 0.00 36.82 34.76 2ww3 h ILE 424 CO -0.04 0.08 0.52 -0.74 -0.69 0.00 0.00 178.15 177.27 2ww3 h HIS 425 N 0.00 0.88 0.00 1.37 2.76 -0.76 0.11 115.15 119.52 2ww3 h HIS 425 Ca 0.02 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 2ww3 h HIS 425 Cb 0.09 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 28.81 2ww3 h HIS 425 CO -0.04 0.08 -0.03 0.78 -1.30 0.00 0.00 177.93 177.42 2ww3 h GLY 426 N 0.57 0.00 1.72 5.26 0.00 -0.74 -2.47 103.07 107.41 2ww3 h GLY 426 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 2ww3 h GLY 426 CO -0.46 0.00 -0.15 -1.30 0.00 0.00 0.00 176.54 174.63 2ww3 n THR 427 N -3.17 0.09 -2.49 4.70 -2.24 0.37 -3.56 114.28 107.99 2ww3 n THR 427 Ca -0.00 -0.05 0.02 0.00 -2.27 0.00 0.00 64.05 61.74 2ww3 n THR 427 Cb 0.27 -0.31 0.05 0.00 -2.10 0.00 0.00 70.33 68.23 2ww3 n THR 427 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2ww3 n GLU 428 N -1.62 0.85 -3.59 -0.78 0.28 -0.94 -4.91 120.64 109.93 2ww3 n GLU 428 Ca 0.06 -2.69 -0.14 0.00 -0.16 0.00 0.00 57.16 54.23 2ww3 n GLU 428 Cb 0.35 -0.75 -0.06 0.00 1.43 0.00 0.00 31.44 32.41 2ww3 n GLU 428 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2ww3 s ASN 429 N -2.74 -0.44 0.06 -1.84 0.01 -1.13 -5.06 114.94 103.80 2ww3 s ASN 429 Ca 0.33 0.25 0.07 0.00 -0.71 0.00 0.00 52.86 52.80 2ww3 s ASN 429 Cb 0.37 0.48 -0.03 0.00 0.41 0.00 0.00 41.25 42.48 2ww3 s ASN 429 CO -0.11 -0.67 -0.19 0.54 -1.51 0.00 0.00 177.10 175.16 2ww3 s VAL 430 N -2.12 1.49 0.23 1.60 0.11 -1.26 -0.33 120.40 120.11 2ww3 s VAL 430 Ca -0.07 -1.23 -0.31 0.00 -2.93 0.00 0.00 61.98 57.44 2ww3 s VAL 430 Cb -0.01 -1.33 -0.10 0.00 -1.53 0.00 0.00 36.38 33.41 2ww3 s VAL 430 CO 0.01 0.06 1.52 -2.28 -3.33 0.00 0.00 175.10 171.08 2ww3 s HIS 431 N -0.93 2.98 0.15 1.54 2.46 -0.26 -4.88 115.29 116.34 2ww3 s HIS 431 Ca 0.05 0.83 0.28 0.00 0.47 0.00 0.00 55.06 56.69 2ww3 s HIS 431 Cb -0.09 -3.91 1.13 0.00 -0.13 0.00 0.00 32.58 29.59 2ww3 s HIS 431 CO 0.02 -3.13 1.91 -1.00 -2.47 0.00 0.00 174.74 170.07 2ww3 h PRO 432 N 5.62 0.00 0.00 2.88 0.13 -2.00 -3.23 132.00 135.42 2ww3 h PRO 432 Ca -0.45 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.30 2ww3 h PRO 432 Cb 1.21 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 2ww3 h PRO 432 CO 0.83 0.13 -2.40 0.39 -0.23 0.00 0.00 178.00 176.73 2ww3 n GLU 433 N -3.30 0.67 -4.00 0.86 -0.58 -1.26 -4.87 120.64 108.16 2ww3 n GLU 433 Ca 0.00 0.09 -0.31 0.00 -0.42 0.00 0.00 57.16 56.52 2ww3 n GLU 433 Cb 0.37 -1.54 -0.15 0.00 -0.57 0.00 0.00 31.44 29.55 2ww3 n GLU 433 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2ww3 s VAL 434 N -2.51 1.94 -0.46 2.62 1.01 -1.22 -4.97 120.40 116.82 2ww3 s VAL 434 Ca -0.23 -1.71 0.23 0.00 0.00 0.00 0.00 61.98 60.28 2ww3 s VAL 434 Cb 0.08 -2.22 0.23 0.00 0.00 0.00 0.00 36.38 34.47 2ww3 s VAL 434 CO 0.72 -0.25 1.68 -1.54 0.00 0.00 0.00 175.10 175.71 2ww3 n SER 435 N 4.47 0.62 -0.77 3.32 3.41 -1.26 -1.22 113.62 122.19 2ww3 n SER 435 Ca -0.08 0.67 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 2ww3 n SER 435 Cb 0.43 -0.80 0.30 0.00 -0.26 0.00 0.00 64.21 63.88 2ww3 n SER 435 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ww3 n SER 436 N -2.21 2.37 -4.65 4.04 3.41 -1.26 -3.95 113.62 111.37 2ww3 n SER 436 Ca 0.02 -1.79 -0.35 0.00 -0.26 0.00 0.00 58.87 56.49 2ww3 n SER 436 Cb 0.19 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 2ww3 n SER 436 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2ww3 s THR 437 N -1.91 4.68 0.00 6.66 2.01 -0.36 -4.59 115.64 122.13 2ww3 s THR 437 Ca 0.33 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.25 2ww3 s THR 437 Cb 0.20 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.64 2ww3 s THR 437 CO 0.31 0.50 0.00 0.61 -0.69 0.00 0.00 174.62 175.35 2ww3 n GLY 438 N 3.15 -0.86 3.10 4.40 0.00 -1.26 -1.11 105.19 112.62 2ww3 n GLY 438 Ca -0.17 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 2ww3 n GLY 438 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ww3 s ARG 439 N 0.00 2.13 0.25 1.61 0.52 0.55 -4.77 118.95 119.23 2ww3 s ARG 439 Ca 0.00 -2.04 -0.31 0.00 -0.52 0.00 0.00 55.73 52.86 2ww3 s ARG 439 Cb 0.00 -3.60 -0.13 0.00 0.52 0.00 0.00 34.95 31.74 2ww3 s ARG 439 CO 0.00 -1.10 1.48 -0.11 0.02 0.00 0.00 175.30 175.59 2ww3 n LEU 440 N 4.24 3.45 -0.04 2.53 7.94 -1.25 -2.13 117.00 131.73 2ww3 n LEU 440 Ca 0.01 1.14 -0.00 0.00 -1.11 0.00 0.00 56.01 56.04 2ww3 n LEU 440 Cb 0.40 -1.47 -0.00 0.00 0.53 0.00 0.00 43.42 42.88 2ww3 n LEU 440 CO 0.33 -0.29 -0.00 0.61 -1.11 0.00 0.00 177.39 176.92 2ww3 n GLY 441 N 2.31 0.45 0.42 -3.96 0.00 -1.26 -4.90 105.19 98.25 2ww3 n GLY 441 Ca 0.11 -0.13 0.24 0.00 0.00 0.00 0.00 46.02 46.25 2ww3 n GLY 441 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2ww3 h TYR 442 N 0.00 0.03 0.88 1.61 -0.00 -1.78 -0.58 116.97 117.14 2ww3 h TYR 442 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.68 2ww3 h TYR 442 Cb 0.18 -0.01 0.00 0.00 -0.00 0.00 0.00 36.73 36.90 2ww3 h TYR 442 CO 0.10 0.01 -0.47 0.93 -0.00 0.00 0.00 178.16 178.74 2ww3 h GLU 443 N 0.02 -1.19 -0.65 0.10 3.07 -1.90 0.90 114.58 114.93 2ww3 h GLU 443 Ca 0.34 0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 59.28 2ww3 h GLU 443 Cb 1.34 0.27 -0.03 0.00 -0.84 0.00 0.00 28.75 29.49 2ww3 h GLU 443 CO -0.01 -0.80 0.39 1.88 -1.40 0.00 0.00 179.01 179.07 2ww3 h TYR 444 N -1.24 0.85 -0.17 4.33 0.05 -1.73 -3.03 116.97 116.02 2ww3 h TYR 444 Ca -0.12 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.58 2ww3 h TYR 444 Cb 0.97 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 38.43 2ww3 h TYR 444 CO -0.05 0.57 -0.22 -0.92 -1.05 0.00 0.00 178.16 176.49 2ww3 h TYR 445 N 0.89 0.56 0.00 4.88 3.20 -0.54 0.43 116.97 126.39 2ww3 h TYR 445 Ca 0.23 -0.18 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 2ww3 h TYR 445 Cb -0.03 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.12 2ww3 h TYR 445 CO 0.00 0.86 -0.07 -0.91 -1.64 0.00 0.00 178.16 176.39 2ww3 h ASN 446 N 0.10 0.00 0.07 -2.11 -0.26 -0.87 0.89 115.58 113.39 2ww3 h ASN 446 Ca 0.02 0.00 -0.31 0.00 -0.56 0.00 0.00 56.30 55.45 2ww3 h ASN 446 Cb 0.79 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.02 2ww3 h ASN 446 CO 0.05 0.07 -1.71 1.17 -1.06 0.00 0.00 177.43 175.96 2ww3 n LYS 447 N -4.26 0.67 -0.01 0.81 4.81 -1.07 -4.53 118.16 114.57 2ww3 n LYS 447 Ca -0.03 0.40 0.09 0.00 -0.87 0.00 0.00 58.31 57.90 2ww3 n LYS 447 Cb 0.16 -1.72 -0.13 0.00 0.02 0.00 0.00 35.03 33.36 2ww3 n LYS 447 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2ww3 n LEU 448 N -3.91 0.23 0.00 3.14 4.77 0.12 -4.98 117.00 116.36 2ww3 n LEU 448 Ca -0.33 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 2ww3 n LEU 448 Cb 0.89 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 2ww3 n LEU 448 CO 0.31 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2ww3 n GLY 449 N 1.46 0.58 3.51 -0.72 0.00 0.30 -5.03 105.19 105.30 2ww3 n GLY 449 Ca -0.01 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 2ww3 n GLY 449 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ww3 s TYR 450 N -2.00 -0.45 -0.33 1.61 1.13 -1.24 -4.76 117.35 111.32 2ww3 s TYR 450 Ca 0.00 0.51 -0.21 0.00 -1.41 0.00 0.00 57.07 55.96 2ww3 s TYR 450 Cb 0.00 0.50 -0.00 0.00 -1.10 0.00 0.00 41.96 41.35 2ww3 s TYR 450 CO 0.00 -0.56 0.66 0.08 -2.51 0.00 0.00 175.55 173.22 2ww3 s VAL 451 N -2.36 4.89 1.14 -3.49 1.01 -1.26 -3.77 120.40 116.55 2ww3 s VAL 451 Ca -0.00 0.77 -0.14 0.00 0.00 0.00 0.00 61.98 62.61 2ww3 s VAL 451 Cb -0.01 -4.06 0.26 0.00 0.00 0.00 0.00 36.38 32.58 2ww3 s VAL 451 CO -0.03 -0.24 1.05 -2.84 0.00 0.00 0.00 175.10 173.03 2ww3 s PRO 452 N 2.72 -0.71 0.09 2.72 0.02 -1.26 -4.45 135.00 134.12 2ww3 s PRO 452 Ca 0.26 0.53 0.23 0.00 0.02 0.00 0.00 61.00 62.04 2ww3 s PRO 452 Cb -0.15 -1.60 0.14 0.00 0.02 0.00 0.00 34.50 32.91 2ww3 s PRO 452 CO 0.13 -3.50 1.12 0.98 -0.33 0.00 0.00 177.00 175.40 2ww3 n TYR 453 N -4.72 0.44 -2.21 6.54 4.19 0.72 -4.44 117.16 117.68 2ww3 n TYR 453 Ca 0.05 0.13 -0.09 0.00 3.31 0.00 0.00 57.90 61.30 2ww3 n TYR 453 Cb 0.57 -0.57 0.06 0.00 0.49 0.00 0.00 39.34 39.88 2ww3 n TYR 453 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 2ww3 n ASP 454 N -2.10 3.05 -0.32 2.98 5.75 -1.26 -4.70 116.55 119.94 2ww3 n ASP 454 Ca 0.02 -3.14 0.08 0.00 -0.01 0.00 0.00 54.79 51.74 2ww3 n ASP 454 Cb 0.45 -0.41 0.16 0.00 -1.03 0.00 0.00 41.12 40.29 2ww3 n ASP 454 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2ww3 n VAL 455 N -0.63 1.87 -1.41 2.12 0.24 -1.26 -4.89 118.33 114.38 2ww3 n VAL 455 Ca 0.26 -2.49 -0.07 0.00 -2.04 0.00 0.00 64.34 60.00 2ww3 n VAL 455 Cb 0.89 -0.17 -0.02 0.00 -1.47 0.00 0.00 33.84 33.07 2ww3 n VAL 455 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2ww3 n LYS 456 N -1.21 -0.49 -4.01 7.34 4.01 -1.26 -5.00 118.16 117.54 2ww3 n LYS 456 Ca 0.16 0.65 -0.31 0.00 -0.51 0.00 0.00 58.31 58.30 2ww3 n LYS 456 Cb 0.67 -4.46 -0.15 0.00 -0.51 0.00 0.00 35.03 30.58 2ww3 n LYS 456 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2ww3 s ILE 457 N -2.28 2.30 0.79 -0.18 1.01 -1.26 -5.11 121.20 116.48 2ww3 s ILE 457 Ca 0.00 -2.42 -0.11 0.00 0.00 0.00 0.00 60.65 58.12 2ww3 s ILE 457 Cb 0.00 -2.70 0.07 0.00 0.01 0.00 0.00 42.46 39.84 2ww3 s ILE 457 CO 0.00 -0.62 1.09 0.20 0.00 0.00 0.00 174.94 175.62 2ww3 s ASN 458 N 0.81 4.34 -1.55 3.58 0.01 -1.26 -3.59 114.94 117.28 2ww3 s ASN 458 Ca 0.11 1.82 -0.05 0.00 -0.71 0.00 0.00 52.86 54.04 2ww3 s ASN 458 Cb -0.20 -2.50 0.01 0.00 0.41 0.00 0.00 41.25 38.97 2ww3 s ASN 458 CO -0.07 -2.14 0.65 -0.62 -1.51 0.00 0.00 177.10 173.41 2ww3 n GLU 459 N -3.59 -5.10 -0.15 -0.60 1.02 0.25 -4.89 120.64 107.57 2ww3 n GLU 459 Ca 0.09 0.90 -0.10 0.00 -0.02 0.00 0.00 57.16 58.03 2ww3 n GLU 459 Cb 0.53 -5.78 -0.01 0.00 -0.02 0.00 0.00 31.44 26.16 2ww3 n GLU 459 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 2ww3 h ASN 460 N -1.48 0.71 -0.44 1.62 -1.07 -1.51 -1.34 115.58 112.07 2ww3 h ASN 460 Ca -0.54 -0.28 -0.06 0.00 0.07 0.00 0.00 56.30 55.50 2ww3 h ASN 460 Cb 1.37 -0.19 -0.02 0.00 -2.07 0.00 0.00 38.32 37.41 2ww3 h ASN 460 CO 0.57 0.81 0.05 0.00 0.07 0.00 0.00 177.43 178.94 2ww3 h ALA 461 N 0.92 0.59 -0.64 4.14 0.00 -1.26 -0.74 119.26 122.27 2ww3 h ALA 461 Ca 0.13 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2ww3 h ALA 461 Cb 0.42 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2ww3 h ALA 461 CO 0.01 0.33 0.42 0.00 0.00 0.00 0.00 179.25 180.02 2ww3 h ALA 462 N 0.93 0.81 -0.36 0.00 0.00 -1.29 -0.55 119.26 118.81 2ww3 h ALA 462 Ca 0.13 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ww3 h ALA 462 Cb 0.42 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2ww3 h ALA 462 CO 0.01 0.24 0.22 0.00 0.00 0.00 0.00 179.25 179.72 2ww3 h ARG 463 N 0.87 0.49 -0.04 0.00 3.08 -1.07 -2.09 114.38 115.62 2ww3 h ARG 463 Ca 0.23 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.27 2ww3 h ARG 463 Cb -0.10 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.81 2ww3 h ARG 463 CO -0.05 0.36 -0.17 1.15 -1.07 0.00 0.00 179.97 180.19 2ww3 h THR 464 N 0.47 0.57 -0.75 2.04 2.02 -0.76 0.24 112.91 116.75 2ww3 h THR 464 Ca 0.13 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.27 2ww3 h THR 464 Cb 0.00 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 2ww3 h THR 464 CO -0.02 0.00 0.30 -0.07 0.37 0.00 0.00 175.52 176.10 2ww3 h LEU 465 N -0.26 1.03 -0.09 2.58 3.38 -0.99 -1.17 115.31 119.80 2ww3 h LEU 465 Ca 0.07 -0.17 -0.17 0.00 0.09 0.00 0.00 57.88 57.70 2ww3 h LEU 465 Cb 0.35 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.85 2ww3 h LEU 465 CO -0.19 0.92 -0.59 -0.33 0.09 0.00 0.00 178.44 178.33 2ww3 h GLU 466 N 1.08 0.55 -0.74 1.13 5.08 -1.23 -2.81 114.58 117.64 2ww3 h GLU 466 Ca 0.25 -0.48 0.17 0.00 -1.00 0.00 0.00 59.36 58.30 2ww3 h GLU 466 Cb 0.21 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 29.44 2ww3 h GLU 466 CO -0.02 1.11 0.07 1.88 -1.00 0.00 0.00 179.01 181.05 2ww3 h TYR 467 N 0.16 0.08 -0.34 4.33 0.05 -0.31 0.33 116.97 121.28 2ww3 h TYR 467 Ca -0.05 0.05 0.01 0.00 0.05 0.00 0.00 58.73 58.79 2ww3 h TYR 467 Cb 1.25 0.08 -0.02 0.00 1.01 0.00 0.00 36.73 39.05 2ww3 h TYR 467 CO 0.11 -0.18 0.22 0.00 -1.05 0.00 0.00 178.16 177.26 2ww3 h ALA 468 N 1.67 0.42 -0.15 3.88 0.00 -1.15 0.51 119.26 124.44 2ww3 h ALA 468 Ca 0.41 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 2ww3 h ALA 468 Cb 0.73 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2ww3 h ALA 468 CO -0.60 -0.12 0.09 -0.92 0.00 0.00 0.00 179.25 177.70 2ww3 h TYR 469 N 0.44 0.20 -0.99 0.00 3.20 -1.07 -0.88 116.97 117.89 2ww3 h TYR 469 Ca 0.13 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.15 2ww3 h TYR 469 Cb -0.04 -0.07 -0.10 0.00 1.54 0.00 0.00 36.73 38.06 2ww3 h TYR 469 CO -0.06 0.18 0.60 -0.44 -1.64 0.00 0.00 178.16 176.81 2ww3 h ASP 470 N 0.17 0.82 -0.06 -2.11 3.32 0.12 -0.95 116.42 117.72 2ww3 h ASP 470 Ca 0.05 0.08 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 2ww3 h ASP 470 Cb 0.04 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2ww3 h ASP 470 CO -0.01 0.35 -0.36 0.44 -1.72 0.00 0.00 179.24 177.94 2ww3 h ASP 471 N 0.84 0.58 -0.77 6.45 3.32 0.54 -1.66 116.42 125.72 2ww3 h ASP 471 Ca 0.54 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 57.37 2ww3 h ASP 471 Cb 0.72 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 2ww3 h ASP 471 CO -0.34 0.89 0.51 -0.25 -1.72 0.00 0.00 179.24 178.33 2ww3 h TRP 472 N 0.46 0.94 -0.59 4.55 7.01 0.08 0.24 115.95 128.65 2ww3 h TRP 472 Ca 0.05 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 60.98 2ww3 h TRP 472 Cb 0.84 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 27.56 2ww3 h TRP 472 CO 0.03 0.57 0.01 0.00 -2.79 0.00 0.00 178.44 176.26 2ww3 h ILE 474 N 0.93 1.20 -0.70 0.00 2.04 -0.94 -2.36 117.51 117.68 2ww3 h ILE 474 Ca 0.17 -0.59 0.14 0.00 1.00 0.00 0.00 64.86 65.58 2ww3 h ILE 474 Cb 0.54 0.75 -0.10 0.00 -0.74 0.00 0.00 36.82 37.28 2ww3 h ILE 474 CO 0.03 0.22 0.20 0.22 0.00 0.00 0.00 178.15 178.82 2ww3 h TYR 475 N 0.58 0.32 -0.38 1.37 5.03 -0.65 -0.71 116.97 122.53 2ww3 h TYR 475 Ca 0.15 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.50 2ww3 h TYR 475 Cb 0.17 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.40 2ww3 h TYR 475 CO -0.00 -0.03 0.23 0.00 -1.32 0.00 0.00 178.16 177.04 2ww3 h ARG 476 N 0.31 0.52 -0.53 1.82 2.47 -0.77 -0.62 114.38 117.59 2ww3 h ARG 476 Ca 0.39 -0.05 -0.12 0.00 -1.26 0.00 0.00 59.98 58.94 2ww3 h ARG 476 Cb 0.62 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.81 2ww3 h ARG 476 CO -0.45 0.38 -0.13 1.25 0.56 0.00 0.00 179.97 181.58 2ww3 h LEU 477 N 0.50 1.01 -0.10 3.04 5.85 -0.94 -1.39 115.31 123.28 2ww3 h LEU 477 Ca 0.14 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2ww3 h LEU 477 Cb 0.00 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.75 2ww3 h LEU 477 CO -0.03 1.13 0.04 0.00 -0.34 0.00 0.00 178.44 179.25 2ww3 h ALA 478 N 0.95 0.12 -0.96 1.25 0.00 -0.94 0.31 119.26 119.99 2ww3 h ALA 478 Ca 0.13 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2ww3 h ALA 478 Cb 0.69 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2ww3 h ALA 478 CO 0.05 -0.30 0.63 -0.22 0.00 0.00 0.00 179.25 179.41 2ww3 h LYS 479 N 0.01 1.19 -0.56 0.00 3.64 -1.06 -1.09 116.57 118.70 2ww3 h LYS 479 Ca 0.03 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 2ww3 h LYS 479 Cb 0.15 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2ww3 h LYS 479 CO -0.00 0.79 0.08 1.49 -2.27 0.00 0.00 179.45 179.54 2ww3 h GLU 480 N 1.23 0.94 -0.00 1.90 4.57 -0.57 -3.07 114.58 119.58 2ww3 h GLU 480 Ca 0.38 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2ww3 h GLU 480 Cb -0.02 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 2ww3 h GLU 480 CO -0.12 0.91 -0.21 1.28 -1.18 0.00 0.00 179.01 179.69 2ww3 n LEU 481 N -4.33 0.29 -2.36 1.64 4.32 0.10 -4.93 117.00 111.73 2ww3 n LEU 481 Ca 0.02 0.21 -0.12 0.00 -0.02 0.00 0.00 56.01 56.10 2ww3 n LEU 481 Cb 0.28 -0.34 0.05 0.00 -1.62 0.00 0.00 43.42 41.79 2ww3 n LEU 481 CO 0.42 0.07 0.11 0.29 -1.22 0.00 0.00 177.39 177.06 2ww3 n LYS 482 N -1.39 -4.37 -0.91 3.23 5.02 -0.46 -5.03 118.16 114.25 2ww3 n LYS 482 Ca 0.08 0.49 -0.30 0.00 -2.02 0.00 0.00 58.31 56.56 2ww3 n LYS 482 Cb 0.33 -4.49 0.16 0.00 -0.02 0.00 0.00 35.03 31.01 2ww3 n LYS 482 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2ww3 s ARG 483 N -5.38 0.87 0.60 1.97 1.81 -0.91 -4.97 118.95 112.95 2ww3 s ARG 483 Ca 0.20 1.11 -0.18 0.00 -1.72 0.00 0.00 55.73 55.14 2ww3 s ARG 483 Cb -0.09 -1.74 -0.05 0.00 -0.45 0.00 0.00 34.95 32.62 2ww3 s ARG 483 CO 0.43 -2.59 0.99 -2.30 -0.68 0.00 0.00 175.30 171.15 2ww3 n PRO 484 N -4.16 0.93 -0.36 3.54 -0.02 -1.26 -4.79 135.00 128.87 2ww3 n PRO 484 Ca 0.08 0.36 0.04 0.00 -2.02 0.00 0.00 63.50 61.96 2ww3 n PRO 484 Cb 0.54 -2.19 0.19 0.00 -0.02 0.00 0.00 33.50 32.01 2ww3 n PRO 484 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2ww3 h LYS 485 N 0.51 1.06 -0.64 -0.52 -0.00 -1.99 -1.87 116.57 113.12 2ww3 h LYS 485 Ca -0.49 -0.06 0.13 0.00 -0.00 0.00 0.00 60.65 60.23 2ww3 h LYS 485 Cb 1.36 -0.24 -0.10 0.00 -0.00 0.00 0.00 32.23 33.25 2ww3 h LYS 485 CO 0.51 0.70 0.08 1.57 -0.00 0.00 0.00 179.45 182.31 2ww3 h LYS 486 N 1.10 0.19 -0.12 0.07 5.09 -2.00 -0.83 116.57 120.06 2ww3 h LYS 486 Ca 0.45 -0.01 -0.02 0.00 0.09 0.00 0.00 60.65 61.16 2ww3 h LYS 486 Cb 0.27 -0.04 -0.00 0.00 0.10 0.00 0.00 32.23 32.55 2ww3 h LYS 486 CO -0.20 0.12 0.01 0.93 -2.09 0.00 0.00 179.45 178.22 2ww3 h GLU 487 N 0.19 0.20 -0.47 0.07 5.08 -1.69 -2.62 114.58 115.34 2ww3 h GLU 487 Ca 0.34 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.69 2ww3 h GLU 487 Cb 0.56 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 2ww3 h GLU 487 CO -0.49 0.43 0.21 0.82 -1.00 0.00 0.00 179.01 178.99 2ww3 h ILE 488 N -0.05 0.92 -0.95 3.13 2.04 -1.17 -1.91 117.51 119.52 2ww3 h ILE 488 Ca 0.03 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 65.80 2ww3 h ILE 488 Cb 0.34 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 36.82 2ww3 h ILE 488 CO 0.00 0.08 0.61 0.28 0.00 0.00 0.00 178.15 179.12 2ww3 h SER 489 N 0.42 1.00 -0.42 1.72 0.02 -1.14 -0.76 113.55 114.39 2ww3 h SER 489 Ca 0.21 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 2ww3 h SER 489 Cb 0.15 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 2ww3 h SER 489 CO -0.17 0.66 0.21 0.25 -1.14 0.00 0.00 176.83 176.63 2ww3 h LEU 490 N 1.15 0.55 -0.41 5.07 5.85 -0.96 -1.07 115.31 125.49 2ww3 h LEU 490 Ca 0.40 -0.13 -0.15 0.00 0.84 0.00 0.00 57.88 58.85 2ww3 h LEU 490 Cb 0.10 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2ww3 h LEU 490 CO -0.15 0.52 -0.69 -0.26 -0.34 0.00 0.00 178.44 177.52 2ww3 h PHE 491 N 0.55 0.00 -0.82 1.25 0.04 -1.18 -1.13 116.94 115.64 2ww3 h PHE 491 Ca 0.15 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.93 2ww3 h PHE 491 Cb 0.12 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.22 2ww3 h PHE 491 CO -0.01 0.69 0.54 0.00 -0.60 0.00 0.00 178.31 178.93 2ww3 h ALA 492 N 1.31 1.05 0.19 2.45 0.00 -0.87 0.18 119.26 123.56 2ww3 h ALA 492 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2ww3 h ALA 492 Cb 1.34 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2ww3 h ALA 492 CO 0.09 0.42 -0.09 -0.22 0.00 0.00 0.00 179.25 179.45 2ww3 h LYS 493 N 1.09 -0.24 -0.85 0.00 3.64 -0.88 -3.20 116.57 116.12 2ww3 h LYS 493 Ca 0.31 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.74 2ww3 h LYS 493 Cb -0.09 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.73 2ww3 h LYS 493 CO -0.08 0.06 0.56 0.00 -2.27 0.00 0.00 179.45 177.72 2ww3 h ARG 494 N -0.55 1.02 -0.84 1.90 3.08 -1.05 -0.46 114.38 117.48 2ww3 h ARG 494 Ca -0.03 -0.06 0.24 0.00 0.07 0.00 0.00 59.98 60.21 2ww3 h ARG 494 Cb 0.42 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 2ww3 h ARG 494 CO 0.04 0.67 0.66 0.00 -1.07 0.00 0.00 179.97 180.28 2ww3 h ALA 495 N 1.51 2.73 -0.28 0.04 0.00 -0.64 0.15 119.26 122.77 2ww3 h ALA 495 Ca 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2ww3 h ALA 495 Cb 0.05 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2ww3 h ALA 495 CO -0.11 -1.09 0.00 -1.33 0.00 0.00 0.00 179.25 176.72 2ww3 n MET 496 N -4.08 1.90 0.14 0.00 2.81 -0.18 -4.31 117.12 113.40 2ww3 n MET 496 Ca 0.17 -1.37 0.12 0.00 -1.81 0.00 0.00 57.70 54.81 2ww3 n MET 496 Cb 0.96 -1.38 0.51 0.00 -0.71 0.00 0.00 33.22 32.60 2ww3 n MET 496 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2ww3 n ASN 497 N 0.59 0.67 0.26 7.83 3.02 0.51 -2.79 115.26 125.35 2ww3 n ASN 497 Ca 0.16 0.69 0.09 0.00 -0.03 0.00 0.00 54.58 55.48 2ww3 n ASN 497 Cb 0.37 -0.82 0.66 0.00 -0.61 0.00 0.00 39.78 39.37 2ww3 n ASN 497 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2ww3 h TYR 498 N 0.00 0.00 0.00 3.10 -0.00 -1.80 -0.96 116.97 117.31 2ww3 h TYR 498 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.72 2ww3 h TYR 498 Cb 0.31 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.04 2ww3 h TYR 498 CO 0.00 0.04 -0.02 0.87 -0.00 0.00 0.00 178.16 179.04 2ww3 h LYS 499 N 0.00 0.00 0.00 0.10 1.57 -1.88 -2.54 116.57 113.82 2ww3 h LYS 499 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ww3 h LYS 499 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2ww3 h LYS 499 CO 0.01 0.02 0.00 0.09 -0.57 0.00 0.00 179.45 179.00 2ww3 n ASN 500 N -3.24 0.56 -0.21 0.86 3.02 -0.37 -2.00 115.26 113.88 2ww3 n ASN 500 Ca -0.02 0.70 0.02 0.00 -0.03 0.00 0.00 54.58 55.26 2ww3 n ASN 500 Cb 0.17 -0.80 0.04 0.00 -0.61 0.00 0.00 39.78 38.58 2ww3 n ASN 500 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2ww3 n LEU 501 N -2.19 1.99 -4.70 3.41 4.77 -0.96 -4.95 117.00 114.37 2ww3 n LEU 501 Ca 0.00 -1.64 -0.41 0.00 -0.03 0.00 0.00 56.01 53.94 2ww3 n LEU 501 Cb 0.11 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 2ww3 n LEU 501 CO 0.13 0.48 0.51 0.12 -1.33 0.00 0.00 177.39 177.31 2ww3 s PHE 502 N -0.76 3.54 -0.39 -1.77 5.36 -0.85 -0.77 117.98 122.34 2ww3 s PHE 502 Ca 0.07 1.33 -0.08 0.00 -0.96 0.00 0.00 56.93 57.29 2ww3 s PHE 502 Cb 0.04 -2.93 0.06 0.00 -0.34 0.00 0.00 43.02 39.86 2ww3 s PHE 502 CO 0.06 -0.03 0.20 0.34 -1.46 0.00 0.00 175.22 174.32 2ww3 s ASP 503 N 0.95 5.53 0.27 6.13 2.15 -0.51 -4.97 116.67 126.22 2ww3 s ASP 503 Ca 0.40 -1.36 -0.00 0.00 0.43 0.00 0.00 52.55 52.02 2ww3 s ASP 503 Cb -0.18 -1.94 0.57 0.00 -0.30 0.00 0.00 42.92 41.07 2ww3 s ASP 503 CO 0.18 -0.45 1.73 0.11 -0.17 0.00 0.00 175.17 176.57 2ww3 h LYS 504 N 8.33 0.50 -0.40 4.34 1.57 -1.92 0.35 116.57 129.33 2ww3 h LYS 504 Ca -0.23 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.60 2ww3 h LYS 504 Cb 1.08 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 33.21 2ww3 h LYS 504 CO 0.69 0.33 -0.03 1.49 -0.57 0.00 0.00 179.45 181.36 2ww3 h GLU 505 N 0.51 0.06 0.00 3.15 4.81 -1.95 -2.80 114.58 118.37 2ww3 h GLU 505 Ca 0.48 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.71 2ww3 h GLU 505 Cb 0.77 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.14 2ww3 h GLU 505 CO -0.42 0.04 -1.13 -1.13 -0.73 0.00 0.00 179.01 175.64 2ww3 n SER 506 N -5.23 0.68 -1.42 1.04 3.41 -0.87 -4.96 113.62 106.25 2ww3 n SER 506 Ca 0.03 0.19 -0.14 0.00 -0.26 0.00 0.00 58.87 58.69 2ww3 n SER 506 Cb 0.21 0.71 -0.02 0.00 -0.26 0.00 0.00 64.21 64.85 2ww3 n SER 506 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ww3 n LYS 507 N -2.47 -1.07 -4.21 4.33 5.02 0.12 -5.02 118.16 114.85 2ww3 n LYS 507 Ca -0.00 0.78 -0.12 0.00 -2.02 0.00 0.00 58.31 56.95 2ww3 n LYS 507 Cb 0.53 -5.00 -0.10 0.00 -0.02 0.00 0.00 35.03 30.44 2ww3 n LYS 507 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ww3 s LEU 508 N -3.74 1.67 0.40 -0.35 1.43 -1.20 -4.96 118.68 111.93 2ww3 s LEU 508 Ca 0.00 -1.28 -0.23 0.00 -1.03 0.00 0.00 54.13 51.59 2ww3 s LEU 508 Cb 0.00 0.19 -0.09 0.00 0.03 0.00 0.00 46.19 46.31 2ww3 s LEU 508 CO 0.00 -0.72 1.01 -0.04 0.23 0.00 0.00 176.35 176.83 2ww3 s MET 509 N -4.04 4.21 -0.21 1.70 -1.94 -1.26 -1.42 119.30 116.34 2ww3 s MET 509 Ca 0.30 1.37 -0.15 0.00 -1.71 0.00 0.00 55.69 55.50 2ww3 s MET 509 Cb 0.07 -2.45 0.06 0.00 2.01 0.00 0.00 34.83 34.52 2ww3 s MET 509 CO 0.07 -0.08 0.54 0.50 -0.01 0.00 0.00 175.02 176.04 2ww3 s ARG 510 N -2.66 0.57 0.29 2.03 3.52 0.05 -4.81 118.95 117.94 2ww3 s ARG 510 Ca 0.59 0.88 -0.29 0.00 -0.13 0.00 0.00 55.73 56.77 2ww3 s ARG 510 Cb -0.18 0.16 -0.13 0.00 -1.56 0.00 0.00 34.95 33.24 2ww3 s ARG 510 CO 0.23 -0.12 1.26 0.41 -0.81 0.00 0.00 175.30 176.27 2ww3 n GLY 511 N 3.65 0.44 3.21 8.12 0.00 -1.26 -4.77 105.19 114.58 2ww3 n GLY 511 Ca -0.18 0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 2ww3 n GLY 511 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ww3 s ARG 512 N -1.25 3.06 0.79 1.61 3.52 -1.26 -0.73 118.95 124.69 2ww3 s ARG 512 Ca 0.61 -0.86 -0.11 0.00 -0.13 0.00 0.00 55.73 55.25 2ww3 s ARG 512 Cb -0.64 -2.37 0.07 0.00 -1.56 0.00 0.00 34.95 30.46 2ww3 s ARG 512 CO 0.57 0.12 1.10 -0.80 -0.81 0.00 0.00 175.30 175.48 2ww3 s ASN 513 N 0.50 4.23 0.61 -2.12 0.01 0.64 -0.20 114.94 118.61 2ww3 s ASN 513 Ca -0.15 1.90 0.33 0.00 -0.71 0.00 0.00 52.86 54.24 2ww3 s ASN 513 Cb -0.17 -2.53 1.91 0.00 0.41 0.00 0.00 41.25 40.87 2ww3 s ASN 513 CO 0.05 -2.22 2.22 -0.08 -1.51 0.00 0.00 177.10 175.56 2ww3 h GLU 514 N -1.21 0.00 -0.01 -0.60 4.81 -1.90 -1.46 114.58 114.21 2ww3 h GLU 514 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2ww3 h GLU 514 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2ww3 h GLU 514 CO 0.50 0.00 -0.10 -0.40 -0.73 0.00 0.00 179.01 178.28 2ww3 n ASP 515 N -3.59 1.18 0.00 1.04 5.68 -1.26 -4.92 116.55 114.68 2ww3 n ASP 515 Ca -0.02 -1.18 0.00 0.00 -0.50 0.00 0.00 54.79 53.09 2ww3 n ASP 515 Cb 0.17 0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 2ww3 n ASP 515 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ww3 n GLY 516 N 1.23 2.81 3.78 6.12 0.00 -0.55 -5.08 105.19 113.51 2ww3 n GLY 516 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 2ww3 n GLY 516 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ww3 s THR 517 N -2.48 3.84 0.44 2.61 -4.23 -1.26 -4.77 115.64 109.80 2ww3 s THR 517 Ca 0.00 1.42 -0.22 0.00 -1.18 0.00 0.00 61.69 61.70 2ww3 s THR 517 Cb 0.00 -3.73 -0.08 0.00 1.34 0.00 0.00 72.50 70.02 2ww3 s THR 517 CO 0.00 0.01 1.07 -0.36 -0.54 0.00 0.00 174.62 174.80 2ww3 s PHE 518 N -1.68 3.09 0.35 3.99 0.08 -1.26 -0.26 117.98 122.28 2ww3 s PHE 518 Ca 0.57 1.60 -0.27 0.00 0.12 0.00 0.00 56.93 58.95 2ww3 s PHE 518 Cb -0.21 -3.16 -0.09 0.00 -0.57 0.00 0.00 43.02 38.99 2ww3 s PHE 518 CO 0.26 -0.89 1.13 1.14 -0.10 0.00 0.00 175.22 176.76 2ww3 s GLN 519 N -2.79 4.30 0.04 0.44 1.03 0.09 -4.75 119.66 118.02 2ww3 s GLN 519 Ca 0.62 1.78 -0.02 0.00 0.04 0.00 0.00 55.36 57.79 2ww3 s GLN 519 Cb -0.22 -2.85 -0.03 0.00 0.03 0.00 0.00 33.01 29.94 2ww3 s GLN 519 CO 0.26 -0.08 -0.00 -1.54 -2.54 0.00 0.00 175.29 171.39 2ww3 s SER 520 N -1.10 0.38 0.51 12.60 1.04 -1.26 -3.92 113.70 121.94 2ww3 s SER 520 Ca 0.52 -0.81 -0.21 0.00 0.48 0.00 0.00 55.95 55.94 2ww3 s SER 520 Cb -0.30 0.19 -0.07 0.00 0.10 0.00 0.00 66.02 65.94 2ww3 s SER 520 CO 0.38 -0.53 1.13 -2.16 0.98 0.00 0.00 173.24 173.04 2ww3 s PRO 521 N -3.19 3.54 -0.14 4.02 0.04 -1.26 -5.14 135.00 132.87 2ww3 s PRO 521 Ca 0.00 1.63 -0.04 0.00 0.04 0.00 0.00 61.00 62.63 2ww3 s PRO 521 Cb 0.03 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 2ww3 s PRO 521 CO -0.07 -0.70 0.00 0.12 0.04 0.00 0.00 177.00 176.39 2ww3 s PHE 522 N -1.72 3.14 -0.17 0.56 5.36 -1.25 -5.09 117.98 118.80 2ww3 s PHE 522 Ca 0.69 -0.02 -0.02 0.00 -0.96 0.00 0.00 56.93 56.62 2ww3 s PHE 522 Cb -0.24 -1.93 0.05 0.00 -0.34 0.00 0.00 43.02 40.55 2ww3 s PHE 522 CO 0.29 0.19 -0.00 0.45 -1.46 0.00 0.00 175.22 174.69 2ww3 s SER 523 N -0.07 2.81 0.32 6.13 0.15 -1.26 -5.00 113.70 116.79 2ww3 s SER 523 Ca 0.04 -0.72 0.18 0.00 0.70 0.00 0.00 55.95 56.15 2ww3 s SER 523 Cb -0.13 -0.72 0.99 0.00 -1.71 0.00 0.00 66.02 64.45 2ww3 s SER 523 CO 0.02 -0.25 1.51 -0.81 1.20 0.00 0.00 173.24 174.91 2ww3 n PRO 524 N 4.97 0.12 0.00 5.44 -0.04 -1.26 -1.06 135.00 143.17 2ww3 n PRO 524 Ca -0.10 0.61 0.12 0.00 -0.04 0.00 0.00 63.50 64.09 2ww3 n PRO 524 Cb 0.47 -2.02 0.16 0.00 -0.04 0.00 0.00 33.50 32.07 2ww3 n PRO 524 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2ww3 n LEU 525 N -2.17 1.83 -4.65 1.53 4.77 -1.26 -2.86 117.00 114.18 2ww3 n LEU 525 Ca -0.01 -0.63 -0.43 0.00 -0.03 0.00 0.00 56.01 54.91 2ww3 n LEU 525 Cb 0.15 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 2ww3 n LEU 525 CO 0.08 0.33 0.97 -0.75 -1.33 0.00 0.00 177.39 176.69 2ww3 s LYS 526 N -2.39 4.20 0.57 3.23 2.20 -0.23 -2.59 119.74 124.73 2ww3 s LYS 526 Ca 0.23 1.35 -0.14 0.00 -0.36 0.00 0.00 55.97 57.05 2ww3 s LYS 526 Cb 0.19 -3.70 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 2ww3 s LYS 526 CO 0.51 -0.73 1.01 -1.58 -0.36 0.00 0.00 175.35 174.20 2ww3 s TRP 527 N 3.42 3.44 0.00 4.03 0.52 -0.96 -4.43 118.94 124.95 2ww3 s TRP 527 Ca 0.47 1.41 0.00 0.00 0.02 0.00 0.00 56.10 58.00 2ww3 s TRP 527 Cb -0.16 -2.80 0.00 0.00 -1.15 0.00 0.00 33.47 29.37 2ww3 s TRP 527 CO 0.11 -0.63 0.00 0.41 0.02 0.00 0.00 176.95 176.85 2ww3 n GLY 528 N -1.96 0.37 5.99 0.98 0.00 -0.16 -4.61 105.19 105.80 2ww3 n GLY 528 Ca 0.07 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2ww3 n GLY 528 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ww3 n ASP 529 N -1.54 0.00 0.12 1.61 2.03 -1.26 -0.73 116.55 116.78 2ww3 n ASP 529 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 2ww3 n ASP 529 Cb 0.00 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 40.57 2ww3 n ASP 529 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ww3 h ALA 530 N -0.88 0.98 -0.89 -1.67 0.00 -1.91 0.72 119.26 115.60 2ww3 h ALA 530 Ca 0.00 -0.53 -0.61 0.00 0.00 0.00 0.00 54.91 53.77 2ww3 h ALA 530 Cb 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.61 2ww3 h ALA 530 CO 0.00 0.73 -0.45 -0.06 0.00 0.00 0.00 179.25 179.47 2ww3 s PHE 531 N -3.72 2.07 -0.12 0.00 0.08 0.09 -0.94 117.98 115.43 2ww3 s PHE 531 Ca -0.02 -0.79 0.02 0.00 0.12 0.00 0.00 56.93 56.27 2ww3 s PHE 531 Cb 0.13 -1.83 0.00 0.00 -0.57 0.00 0.00 43.02 40.75 2ww3 s PHE 531 CO 0.77 0.01 -0.21 0.99 -0.10 0.00 0.00 175.22 176.68 2ww3 s THR 532 N -2.75 2.29 -1.75 0.64 2.01 -1.26 -3.90 115.64 110.93 2ww3 s THR 532 Ca 0.28 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.35 2ww3 s THR 532 Cb 0.02 -1.91 0.00 0.00 0.01 0.00 0.00 72.50 70.61 2ww3 s THR 532 CO 0.16 0.55 0.00 -0.62 -0.69 0.00 0.00 174.62 174.01 2ww3 n GLU 533 N 3.75 -1.69 -3.22 4.92 -0.58 -1.26 -4.79 120.64 117.77 2ww3 n GLU 533 Ca -0.19 0.98 0.00 0.00 -0.42 0.00 0.00 57.16 57.53 2ww3 n GLU 533 Cb 0.52 -5.54 0.00 0.00 -0.57 0.00 0.00 31.44 25.85 2ww3 n GLU 533 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ww3 n GLY 534 N -0.78 -1.33 1.56 0.62 0.00 -1.26 -4.90 105.19 99.10 2ww3 n GLY 534 Ca -0.21 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 2ww3 n GLY 534 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ww3 n ASN 535 N 0.66 2.58 -0.11 1.61 0.23 -1.26 -0.99 115.26 117.99 2ww3 n ASN 535 Ca 0.00 -1.96 0.03 0.00 -0.53 0.00 0.00 54.58 52.12 2ww3 n ASN 535 Cb 0.00 0.16 0.35 0.00 -2.08 0.00 0.00 39.78 38.20 2ww3 n ASN 535 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 2ww3 h SER 536 N 0.53 0.65 0.15 0.53 0.87 -1.74 -1.23 113.55 113.31 2ww3 h SER 536 Ca -0.18 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.35 2ww3 h SER 536 Cb 0.55 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2ww3 h SER 536 CO 0.30 0.46 -0.09 -0.50 -0.53 0.00 0.00 176.83 176.48 2ww3 h TRP 537 N 0.76 0.00 0.16 2.24 4.06 -1.93 -0.40 115.95 120.84 2ww3 h TRP 537 Ca 0.22 0.00 -0.28 0.00 2.06 0.00 0.00 58.89 60.88 2ww3 h TRP 537 Cb -0.05 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.12 2ww3 h TRP 537 CO -0.00 0.09 -1.37 0.45 -3.56 0.00 0.00 178.44 174.04 2ww3 h HIS 538 N 0.00 0.62 0.00 0.49 3.86 -1.60 -3.41 115.15 115.11 2ww3 h HIS 538 Ca -0.00 -0.45 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 2ww3 h HIS 538 Cb 0.18 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.63 2ww3 h HIS 538 CO 0.00 1.53 -0.73 1.88 0.86 0.00 0.00 177.93 181.48 2ww3 h TYR 539 N -0.16 0.00 0.00 2.45 -1.99 -0.89 -3.37 116.97 113.02 2ww3 h TYR 539 Ca -0.27 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.46 2ww3 h TYR 539 Cb 1.88 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.61 2ww3 h TYR 539 CO 0.14 0.00 -0.00 1.15 -0.00 0.00 0.00 178.16 179.44 2ww3 h THR 540 N 0.00 0.64 -0.00 -2.88 2.02 -1.31 -2.09 112.91 109.28 2ww3 h THR 540 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2ww3 h THR 540 Cb 0.82 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 2ww3 h THR 540 CO 0.00 0.00 -0.01 0.79 0.37 0.00 0.00 175.52 176.67 2ww3 n TRP 541 N -4.00 0.00 -1.43 3.16 7.02 -1.26 -4.55 117.44 116.38 2ww3 n TRP 541 Ca -0.03 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.05 2ww3 n TRP 541 Cb 0.09 -0.04 -0.02 0.00 -2.42 0.00 0.00 31.31 28.92 2ww3 n TRP 541 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2ww3 n SER 542 N -0.76 7.65 -3.11 -0.99 7.64 -0.79 -4.44 113.62 118.82 2ww3 n SER 542 Ca 0.21 -2.65 -0.23 0.00 1.01 0.00 0.00 58.87 57.22 2ww3 n SER 542 Cb 0.19 -1.58 -0.04 0.00 -1.01 0.00 0.00 64.21 61.77 2ww3 n SER 542 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2ww3 n VAL 543 N 3.87 1.26 -0.31 0.44 0.31 -1.26 -4.73 118.33 117.91 2ww3 n VAL 543 Ca 0.72 -4.98 0.16 0.00 -0.01 0.00 0.00 64.34 60.23 2ww3 n VAL 543 Cb 0.27 -1.02 0.40 0.00 -0.91 0.00 0.00 33.84 32.58 2ww3 n VAL 543 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2ww3 h PHE 544 N 3.19 0.84 -0.00 3.52 -1.00 -1.88 -2.06 116.94 119.55 2ww3 h PHE 544 Ca 0.12 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.92 2ww3 h PHE 544 Cb 0.75 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 40.06 2ww3 h PHE 544 CO 0.62 0.20 -0.44 -2.39 -1.61 0.00 0.00 178.31 174.70 2ww3 n HIS 545 N -4.64 0.00 -3.00 -0.55 1.44 -1.26 -4.45 115.22 102.75 2ww3 n HIS 545 Ca 0.22 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.78 2ww3 n HIS 545 Cb 0.63 -0.23 0.02 0.00 0.12 0.00 0.00 29.99 30.52 2ww3 n HIS 545 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2ww3 n ASP 546 N -1.34 -0.45 0.07 4.39 2.03 -0.78 0.19 116.55 120.65 2ww3 n ASP 546 Ca 0.07 -3.29 0.00 0.00 0.52 0.00 0.00 54.79 52.09 2ww3 n ASP 546 Cb 0.34 0.41 0.31 0.00 -0.72 0.00 0.00 41.12 41.46 2ww3 n ASP 546 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2ww3 h PRO 547 N 3.00 0.36 -0.91 -0.67 0.11 -1.75 -1.90 132.00 130.23 2ww3 h PRO 547 Ca 0.02 -0.10 0.02 0.00 0.11 0.00 0.00 66.00 66.05 2ww3 h PRO 547 Cb 1.02 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.05 2ww3 h PRO 547 CO 0.35 0.51 0.60 0.37 -0.21 0.00 0.00 178.00 179.62 2ww3 h GLN 548 N 0.33 1.17 -0.92 1.05 5.75 -1.91 0.46 115.11 121.04 2ww3 h GLN 548 Ca 0.06 -0.07 0.07 0.00 -0.15 0.00 0.00 58.65 58.57 2ww3 h GLN 548 Cb 0.46 -0.26 -0.07 0.00 1.07 0.00 0.00 27.48 28.68 2ww3 h GLN 548 CO 0.03 0.78 0.58 0.78 -2.65 0.00 0.00 178.83 178.34 2ww3 h GLY 549 N 1.21 1.42 1.11 2.39 0.00 -1.76 0.79 103.07 108.22 2ww3 h GLY 549 Ca 0.34 -0.42 -0.15 0.00 0.00 0.00 0.00 47.33 47.10 2ww3 h GLY 549 CO -0.08 0.27 -0.35 -2.00 0.00 0.00 0.00 176.54 174.37 2ww3 h LEU 550 N 1.03 0.98 -1.10 3.11 5.85 -0.77 -2.37 115.31 122.04 2ww3 h LEU 550 Ca 0.41 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2ww3 h LEU 550 Cb 0.22 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2ww3 h LEU 550 CO -0.19 1.23 0.44 0.40 -0.34 0.00 0.00 178.44 179.98 2ww3 h ILE 551 N 0.74 1.22 -0.08 4.05 2.04 -0.52 0.10 117.51 125.06 2ww3 h ILE 551 Ca 0.07 -0.53 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 2ww3 h ILE 551 Cb 0.94 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2ww3 h ILE 551 CO 0.09 0.24 -0.25 0.44 0.00 0.00 0.00 178.15 178.67 2ww3 h ASP 552 N 1.07 0.13 1.05 1.72 3.32 -0.59 -0.98 116.42 122.14 2ww3 h ASP 552 Ca 0.28 -0.03 -0.17 0.00 0.02 0.00 0.00 57.03 57.12 2ww3 h ASP 552 Cb -0.00 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2ww3 h ASP 552 CO -0.05 0.38 -0.80 -0.07 -1.72 0.00 0.00 179.24 176.99 2ww3 h LEU 553 N 0.12 0.00 -2.87 1.55 3.38 -0.73 -3.36 115.31 113.40 2ww3 h LEU 553 Ca 0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2ww3 h LEU 553 Cb 0.51 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 2ww3 h LEU 553 CO 0.04 0.80 0.11 0.23 0.09 0.00 0.00 178.44 179.70 2ww3 n MET 554 N -3.39 3.21 -0.22 1.13 2.81 -0.09 -4.83 117.12 115.74 2ww3 n MET 554 Ca 0.00 -2.10 0.00 0.00 -1.81 0.00 0.00 57.70 53.79 2ww3 n MET 554 Cb 0.82 -1.97 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 2ww3 n MET 554 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ww3 n GLY 555 N 0.18 0.82 0.00 3.03 0.00 -1.22 -4.09 105.19 103.90 2ww3 n GLY 555 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2ww3 n GLY 555 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww3 n GLY 556 N -2.16 0.85 0.22 -0.02 0.00 -0.42 -4.46 105.19 99.20 2ww3 n GLY 556 Ca 0.00 -1.98 -0.04 0.00 0.00 0.00 0.00 46.02 44.00 2ww3 n GLY 556 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ww3 h LYS 557 N 0.00 0.44 -0.36 1.61 2.10 -1.92 -0.72 116.57 117.72 2ww3 h LYS 557 Ca 0.00 -0.19 -0.12 0.00 -2.00 0.00 0.00 60.65 58.33 2ww3 h LYS 557 Cb 0.00 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.31 2ww3 h LYS 557 CO 0.00 0.73 -0.25 1.49 -2.00 0.00 0.00 179.45 179.41 2ww3 h GLU 558 N 0.38 0.82 0.00 0.07 4.81 -1.89 -1.92 114.58 116.84 2ww3 h GLU 558 Ca 0.04 -0.39 -0.08 0.00 -0.13 0.00 0.00 59.36 58.80 2ww3 h GLU 558 Cb 0.78 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 2ww3 h GLU 558 CO 0.06 1.02 -0.38 1.98 -0.73 0.00 0.00 179.01 180.96 2ww3 h MET 559 N 0.61 0.00 -0.22 1.92 4.05 -1.69 -2.15 114.93 117.46 2ww3 h MET 559 Ca 0.07 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.40 2ww3 h MET 559 Cb 0.82 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.62 2ww3 h MET 559 CO 0.07 0.38 -0.21 0.35 0.23 0.00 0.00 176.91 177.73 2ww3 h PHE 560 N 0.00 0.63 -0.50 1.39 3.04 -0.85 -1.29 116.94 119.35 2ww3 h PHE 560 Ca -0.00 -0.19 -0.07 0.00 3.98 0.00 0.00 57.97 61.69 2ww3 h PHE 560 Cb 0.70 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 39.05 2ww3 h PHE 560 CO 0.00 0.87 0.03 0.28 -2.02 0.00 0.00 178.31 177.47 2ww3 h VAL 561 N 0.21 1.24 -0.75 1.41 2.07 -1.26 -0.97 116.25 118.19 2ww3 h VAL 561 Ca 0.04 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2ww3 h VAL 561 Cb 0.76 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 2ww3 h VAL 561 CO 0.05 0.35 0.48 0.74 0.02 0.00 0.00 177.57 179.21 2ww3 h THR 562 N 0.77 1.20 -0.37 2.57 2.02 -1.13 0.25 112.91 118.22 2ww3 h THR 562 Ca 0.15 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 2ww3 h THR 562 Cb 0.42 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2ww3 h THR 562 CO 0.02 0.20 -0.02 0.24 0.37 0.00 0.00 175.52 176.33 2ww3 h MET 563 N 1.03 0.66 -0.23 6.66 2.86 -0.64 -2.60 114.93 122.67 2ww3 h MET 563 Ca 0.27 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 2ww3 h MET 563 Cb -0.09 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 2ww3 h MET 563 CO -0.06 0.78 0.11 0.52 1.06 0.00 0.00 176.91 179.32 2ww3 h MET 564 N 0.47 0.33 -0.64 1.72 2.86 -0.84 -2.64 114.93 116.19 2ww3 h MET 564 Ca 0.10 -0.05 0.17 0.00 -2.06 0.00 0.00 59.70 57.86 2ww3 h MET 564 Cb 0.49 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 2ww3 h MET 564 CO 0.02 0.35 0.45 -0.44 1.06 0.00 0.00 176.91 178.35 2ww3 h ASP 565 N 0.24 0.11 1.84 1.22 3.32 -0.42 -1.61 116.42 121.12 2ww3 h ASP 565 Ca 0.08 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 2ww3 h ASP 565 Cb 0.12 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 2ww3 h ASP 565 CO -0.01 0.06 -0.16 0.77 -1.72 0.00 0.00 179.24 178.18 2ww3 h SER 566 N 0.12 0.00 -0.62 6.45 4.64 -1.09 -2.98 113.55 120.07 2ww3 h SER 566 Ca 0.31 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.70 2ww3 h SER 566 Cb 1.06 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.09 2ww3 h SER 566 CO -0.04 0.14 0.31 0.58 -0.87 0.00 0.00 176.83 176.95 2ww3 h VAL 567 N 0.00 0.90 -0.05 0.95 2.07 -1.23 -0.43 116.25 118.46 2ww3 h VAL 567 Ca -0.00 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 2ww3 h VAL 567 Cb 1.11 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2ww3 h VAL 567 CO 0.02 0.10 -0.30 -0.26 0.02 0.00 0.00 177.57 177.15 2ww3 h PHE 568 N 0.57 0.09 0.00 1.57 0.04 -1.62 -0.46 116.94 117.13 2ww3 h PHE 568 Ca 0.29 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.04 2ww3 h PHE 568 Cb 0.25 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.37 2ww3 h PHE 568 CO -0.11 0.38 -0.81 0.00 -0.60 0.00 0.00 178.31 177.18 2ww3 n ALA 569 N -2.48 2.95 -2.71 2.45 0.00 -0.51 -2.87 120.51 117.34 2ww3 n ALA 569 Ca -0.02 -0.28 -0.39 0.00 0.00 0.00 0.00 53.44 52.75 2ww3 n ALA 569 Cb 0.37 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 2ww3 n ALA 569 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ww3 s VAL 570 N -3.22 5.08 0.47 0.00 -7.23 -0.29 -4.94 120.40 110.29 2ww3 s VAL 570 Ca 0.04 1.28 -0.23 0.00 -1.81 0.00 0.00 61.98 61.27 2ww3 s VAL 570 Cb 0.13 -3.97 -0.09 0.00 0.56 0.00 0.00 36.38 33.01 2ww3 s VAL 570 CO 0.76 0.25 1.01 -2.65 -0.31 0.00 0.00 175.10 174.16 2ww3 n PRO 571 N 3.91 1.27 -0.87 4.82 -0.02 -1.26 -2.80 135.00 140.06 2ww3 n PRO 571 Ca -0.03 0.46 -0.12 0.00 -2.02 0.00 0.00 63.50 61.79 2ww3 n PRO 571 Cb 0.51 -2.11 -0.13 0.00 -0.02 0.00 0.00 33.50 31.75 2ww3 n PRO 571 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2ww3 n PRO 572 N -0.18 1.83 -2.13 0.52 -0.04 -1.26 -4.73 135.00 129.01 2ww3 n PRO 572 Ca 0.10 -0.95 -0.32 0.00 -0.04 0.00 0.00 63.50 62.29 2ww3 n PRO 572 Cb 0.42 -2.00 -0.00 0.00 -0.04 0.00 0.00 33.50 31.88 2ww3 n PRO 572 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2ww3 s ILE 573 N 1.44 4.08 0.11 0.52 -0.00 -1.26 -4.83 121.20 121.27 2ww3 s ILE 573 Ca 0.57 0.97 -0.17 0.00 -0.00 0.00 0.00 60.65 62.02 2ww3 s ILE 573 Cb 0.26 -3.51 0.04 0.00 -0.00 0.00 0.00 42.46 39.25 2ww3 s ILE 573 CO -0.01 -0.60 0.41 0.72 -0.00 0.00 0.00 174.94 175.46 2ww3 s PHE 574 N -2.56 -0.23 -0.26 1.37 -0.12 -1.26 -4.93 117.98 109.99 2ww3 s PHE 574 Ca 0.62 -0.02 0.00 0.00 -0.05 0.00 0.00 56.93 57.48 2ww3 s PHE 574 Cb -0.14 0.26 0.04 0.00 -0.63 0.00 0.00 43.02 42.55 2ww3 s PHE 574 CO 0.36 -0.68 -0.08 0.34 -0.05 0.00 0.00 175.22 175.12 2ww3 s ASP 575 N -2.62 4.36 -0.03 1.98 -1.08 -1.07 -5.00 116.67 113.21 2ww3 s ASP 575 Ca 0.01 -1.13 0.21 0.00 -0.52 0.00 0.00 52.55 51.11 2ww3 s ASP 575 Cb 0.01 -1.61 0.65 0.00 -1.46 0.00 0.00 42.92 40.51 2ww3 s ASP 575 CO -0.10 -0.17 1.55 -0.90 0.52 0.00 0.00 175.17 176.07 2ww3 n ASP 576 N 4.57 4.13 -0.29 -0.34 5.68 -1.26 -2.27 116.55 126.77 2ww3 n ASP 576 Ca -0.15 -2.14 0.21 0.00 -0.50 0.00 0.00 54.79 52.21 2ww3 n ASP 576 Cb 0.45 -0.50 0.51 0.00 -1.14 0.00 0.00 41.12 40.44 2ww3 n ASP 576 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2ww3 h SER 577 N 4.07 0.42 0.21 -1.12 4.64 -1.91 0.29 113.55 120.14 2ww3 h SER 577 Ca 0.00 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2ww3 h SER 577 Cb 1.11 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2ww3 h SER 577 CO 0.07 0.12 -0.05 0.22 -0.87 0.00 0.00 176.83 176.32 2ww3 h TYR 578 N 0.40 0.00 0.00 4.77 3.20 -1.83 -3.00 116.97 120.51 2ww3 h TYR 578 Ca 0.54 0.00 -0.37 0.00 3.14 0.00 0.00 58.73 62.04 2ww3 h TYR 578 Cb 1.37 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.57 2ww3 h TYR 578 CO -0.00 0.05 -2.38 0.66 -1.64 0.00 0.00 178.16 174.85 2ww3 n TYR 579 N -3.58 0.00 -0.87 -3.82 4.01 0.96 -4.96 117.16 108.89 2ww3 n TYR 579 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2ww3 n TYR 579 Cb 0.16 -0.99 0.00 0.00 -0.31 0.00 0.00 39.34 38.20 2ww3 n TYR 579 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ww3 n GLY 580 N 1.79 0.55 3.62 2.72 0.00 -0.90 -5.00 105.19 107.96 2ww3 n GLY 580 Ca -0.33 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 45.49 2ww3 n GLY 580 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ww3 s GLN 581 N -0.38 0.87 -1.07 1.61 -2.07 -1.26 -5.06 119.66 112.30 2ww3 s GLN 581 Ca 0.00 -0.41 -0.21 0.00 -1.82 0.00 0.00 55.36 52.92 2ww3 s GLN 581 Cb 0.00 0.34 0.07 0.00 -1.09 0.00 0.00 33.01 32.34 2ww3 s GLN 581 CO 0.00 -0.39 1.46 0.08 -1.32 0.00 0.00 175.29 175.12 2ww3 s VAL 582 N -3.05 4.14 0.72 3.63 1.01 -1.26 -4.89 120.40 120.70 2ww3 s VAL 582 Ca 0.09 -1.21 -0.16 0.00 0.00 0.00 0.00 61.98 60.70 2ww3 s VAL 582 Cb -0.01 -5.04 0.03 0.00 0.00 0.00 0.00 36.38 31.37 2ww3 s VAL 582 CO -0.04 -1.88 1.22 2.30 0.00 0.00 0.00 175.10 176.70 2ww3 n ILE 583 N 6.47 3.51 -0.06 2.22 -5.35 -1.26 -4.73 119.36 120.16 2ww3 n ILE 583 Ca 0.35 -0.36 0.14 0.00 -0.27 0.00 0.00 62.75 62.61 2ww3 n ILE 583 Cb 0.49 -1.33 0.55 0.00 -1.74 0.00 0.00 39.64 37.61 2ww3 n ILE 583 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 2ww3 h HIS 584 N -0.16 0.33 -0.95 4.28 2.07 -1.77 -0.48 115.15 118.47 2ww3 h HIS 584 Ca -0.49 0.01 0.09 0.00 -2.85 0.00 0.00 60.37 57.14 2ww3 h HIS 584 Cb 1.32 -0.11 -0.07 0.00 2.57 0.00 0.00 27.41 31.12 2ww3 h HIS 584 CO 0.43 0.15 0.59 0.93 -3.07 0.00 0.00 177.93 176.96 2ww3 h GLU 585 N 0.31 0.97 -0.09 5.12 3.07 -1.89 0.11 114.58 122.18 2ww3 h GLU 585 Ca 0.27 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.06 2ww3 h GLU 585 Cb 0.65 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 28.33 2ww3 h GLU 585 CO -0.06 0.64 -0.00 0.82 -1.40 0.00 0.00 179.01 179.01 2ww3 h ILE 586 N 1.00 1.25 -0.56 3.13 2.04 -1.42 -2.23 117.51 120.72 2ww3 h ILE 586 Ca 0.44 -0.80 0.06 0.00 1.00 0.00 0.00 64.86 65.57 2ww3 h ILE 586 Cb 0.33 1.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 2ww3 h ILE 586 CO -0.22 0.23 0.26 -0.09 0.00 0.00 0.00 178.15 178.32 2ww3 h ARG 587 N -0.12 0.47 -0.39 2.37 9.65 -1.22 -1.75 114.38 123.39 2ww3 h ARG 587 Ca 0.03 -0.03 0.06 0.00 -1.10 0.00 0.00 59.98 58.94 2ww3 h ARG 587 Cb 0.35 -0.11 -0.05 0.00 -1.39 0.00 0.00 29.97 28.77 2ww3 h ARG 587 CO 0.00 0.31 0.06 0.93 2.80 0.00 0.00 179.97 184.08 2ww3 h GLU 588 N 0.48 0.18 -0.70 0.20 5.08 -0.67 0.27 114.58 119.42 2ww3 h GLU 588 Ca 0.26 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.75 2ww3 h GLU 588 Cb 0.22 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.34 2ww3 h GLU 588 CO -0.21 0.12 0.22 1.98 -1.00 0.00 0.00 179.01 180.12 2ww3 h MET 589 N 0.19 0.34 -0.37 2.33 4.05 -0.71 -3.08 114.93 117.67 2ww3 h MET 589 Ca 0.19 -0.02 -0.15 0.00 -0.28 0.00 0.00 59.70 59.44 2ww3 h MET 589 Cb 0.23 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 2ww3 h MET 589 CO -0.26 0.22 -0.37 1.79 0.23 0.00 0.00 176.91 178.53 2ww3 h THR 590 N 0.35 1.28 0.00 -0.77 1.35 -0.28 -3.18 112.91 111.66 2ww3 h THR 590 Ca 0.38 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 2ww3 h THR 590 Cb 0.60 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 2ww3 h THR 590 CO -0.43 0.51 0.00 -0.37 -0.25 0.00 0.00 175.52 174.99 2ww3 h VAL 591 N 0.72 0.00 0.00 6.82 -1.51 -1.29 -3.27 116.25 117.72 2ww3 h VAL 591 Ca 0.06 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 2ww3 h VAL 591 Cb 0.95 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.58 2ww3 h VAL 591 CO 0.09 0.00 0.00 0.23 -1.23 0.00 0.00 177.57 176.66 2ww3 n MET 592 N -2.69 0.13 -3.20 5.19 2.81 -1.20 -4.92 117.12 113.24 2ww3 n MET 592 Ca 0.03 0.12 -0.23 0.00 -1.81 0.00 0.00 57.70 55.82 2ww3 n MET 592 Cb 0.37 -1.66 0.05 0.00 -0.71 0.00 0.00 33.22 31.27 2ww3 n MET 592 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2ww3 n ASN 593 N -1.89 -6.18 -1.58 7.83 4.05 -1.24 -4.90 115.26 111.35 2ww3 n ASN 593 Ca 0.06 -0.37 -0.14 0.00 0.45 0.00 0.00 54.58 54.59 2ww3 n ASN 593 Cb 0.38 -4.93 0.08 0.00 1.23 0.00 0.00 39.78 36.54 2ww3 n ASN 593 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 2ww3 n MET 594 N -4.31 2.91 0.00 1.20 2.81 -1.26 -5.08 117.12 113.40 2ww3 n MET 594 Ca -0.07 -3.87 0.00 0.00 -1.81 0.00 0.00 57.70 51.95 2ww3 n MET 594 Cb 0.60 -2.04 0.00 0.00 -0.71 0.00 0.00 33.22 31.07 2ww3 n MET 594 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ww3 n GLY 595 N -0.83 3.39 0.79 3.03 0.00 -1.14 -1.38 105.19 109.05 2ww3 n GLY 595 Ca 0.35 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.33 2ww3 n GLY 595 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ww3 n ASN 596 N 5.11 2.33 -4.55 1.61 3.02 -0.18 -4.27 115.26 118.33 2ww3 n ASN 596 Ca 0.00 -1.86 -0.41 0.00 -0.03 0.00 0.00 54.58 52.29 2ww3 n ASN 596 Cb 0.00 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 38.95 2ww3 n ASN 596 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2ww3 s TYR 597 N -1.62 2.24 -0.65 3.10 5.04 -0.48 -4.89 117.35 120.09 2ww3 s TYR 597 Ca 0.34 -0.02 -0.13 0.00 -2.44 0.00 0.00 57.07 54.81 2ww3 s TYR 597 Cb 0.18 -4.58 0.17 0.00 0.35 0.00 0.00 41.96 38.08 2ww3 s TYR 597 CO 0.26 -2.09 0.57 0.00 -1.34 0.00 0.00 175.55 172.96 2ww3 s ALA 598 N 6.03 3.77 0.50 3.97 0.00 -1.26 -4.72 121.76 130.05 2ww3 s ALA 598 Ca 0.39 -2.92 0.22 0.00 0.00 0.00 0.00 51.96 49.65 2ww3 s ALA 598 Cb -0.08 -3.23 1.39 0.00 0.00 0.00 0.00 23.12 21.21 2ww3 s ALA 598 CO 0.14 -2.11 2.12 1.25 0.00 0.00 0.00 175.76 177.16 2ww3 h HIS 599 N 8.19 0.00 0.00 0.00 2.76 -1.93 0.13 115.15 124.30 2ww3 h HIS 599 Ca -0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 2ww3 h HIS 599 Cb 1.06 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.02 2ww3 h HIS 599 CO 0.83 0.07 0.00 0.78 -1.30 0.00 0.00 177.93 178.32 2ww3 h GLY 600 N 0.32 0.00 -7.07 5.26 0.00 -1.93 -3.42 103.07 96.24 2ww3 h GLY 600 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 2ww3 h GLY 600 CO 0.01 0.00 1.19 0.21 0.00 0.00 0.00 176.54 177.95 2ww3 s ASN 601 N -4.93 5.92 0.24 0.19 3.04 0.46 -4.71 114.94 115.14 2ww3 s ASN 601 Ca 0.00 0.65 -0.05 0.00 0.04 0.00 0.00 52.86 53.50 2ww3 s ASN 601 Cb 0.09 -2.54 0.41 0.00 -1.54 0.00 0.00 41.25 37.68 2ww3 s ASN 601 CO 0.42 -1.80 1.75 1.56 -3.04 0.00 0.00 177.10 175.99 2ww3 h GLN 602 N 12.29 0.50 0.00 0.43 7.50 -1.85 -2.08 115.11 131.90 2ww3 h GLN 602 Ca -0.28 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 58.84 2ww3 h GLN 602 Cb 1.13 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 28.54 2ww3 h GLN 602 CO 1.13 0.33 0.00 -1.35 -1.50 0.00 0.00 178.83 177.45 2ww3 h PRO 603 N 0.52 0.00 -0.02 1.46 0.11 -1.91 -1.43 132.00 130.73 2ww3 h PRO 603 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 2ww3 h PRO 603 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 2ww3 h PRO 603 CO -0.34 0.00 -0.03 1.51 -0.21 0.00 0.00 178.00 178.93 2ww3 n ILE 604 N -2.68 0.00 0.26 4.15 3.06 -0.79 -4.61 119.36 118.75 2ww3 n ILE 604 Ca -0.01 -0.49 0.11 0.00 -2.50 0.00 0.00 62.75 59.87 2ww3 n ILE 604 Cb 0.14 1.39 0.72 0.00 0.54 0.00 0.00 39.64 42.43 2ww3 n ILE 604 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 2ww3 h GLN 605 N 3.69 0.00 0.00 9.51 4.20 -1.20 -1.16 115.11 130.14 2ww3 h GLN 605 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2ww3 h GLN 605 Cb 0.80 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.58 2ww3 h GLN 605 CO 0.00 0.10 -0.65 -2.39 -0.67 0.00 0.00 178.83 175.23 2ww3 n HIS 606 N -3.87 0.28 -0.22 2.96 1.44 -1.26 -4.56 115.22 109.98 2ww3 n HIS 606 Ca -0.02 0.08 0.02 0.00 -2.01 0.00 0.00 57.72 55.79 2ww3 n HIS 606 Cb 0.20 -0.45 0.13 0.00 0.12 0.00 0.00 29.99 29.98 2ww3 n HIS 606 CO 0.00 0.00 0.00 1.98 -2.81 0.00 0.00 176.34 175.51 2ww3 h MET 607 N 0.00 0.16 0.00 -1.40 -1.53 -1.50 -1.56 114.93 109.10 2ww3 h MET 607 Ca 0.00 -0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.23 2ww3 h MET 607 Cb 0.64 -0.04 -0.00 0.00 -0.55 0.00 0.00 31.60 31.65 2ww3 h MET 607 CO 0.00 0.11 -0.07 0.82 0.14 0.00 0.00 176.91 177.90 2ww3 h ILE 608 N 0.17 0.97 0.00 1.77 2.04 -1.80 -0.21 117.51 120.45 2ww3 h ILE 608 Ca 0.35 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.95 2ww3 h ILE 608 Cb 0.58 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 2ww3 h ILE 608 CO -0.52 0.07 0.00 1.88 0.00 0.00 0.00 178.15 179.58 2ww3 h TYR 609 N 0.00 0.00 0.00 1.37 -1.99 -1.61 -2.72 116.97 112.02 2ww3 h TYR 609 Ca -0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 2ww3 h TYR 609 Cb 0.14 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.87 2ww3 h TYR 609 CO 0.00 0.00 -0.06 -0.07 -0.00 0.00 0.00 178.16 178.03 2ww3 h LEU 610 N 0.00 0.00 -1.62 3.88 3.38 -1.07 -1.57 115.31 118.31 2ww3 h LEU 610 Ca 0.00 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 2ww3 h LEU 610 Cb 0.41 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 2ww3 h LEU 610 CO 0.00 0.06 0.53 1.88 0.09 0.00 0.00 178.44 181.00 2ww3 h TYR 611 N 0.00 0.43 -0.71 1.13 0.05 -1.64 -0.94 116.97 115.29 2ww3 h TYR 611 Ca -0.00 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 2ww3 h TYR 611 Cb 0.24 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.81 2ww3 h TYR 611 CO 0.00 0.14 0.40 -0.44 -1.05 0.00 0.00 178.16 177.21 2ww3 h ASP 612 N 0.35 0.89 1.23 3.88 5.19 -1.51 -1.86 116.42 124.60 2ww3 h ASP 612 Ca 0.39 -0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.71 2ww3 h ASP 612 Cb 1.02 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.30 2ww3 h ASP 612 CO -0.12 0.72 -0.02 1.88 -3.12 0.00 0.00 179.24 178.58 2ww3 h TYR 613 N 0.98 0.00 -0.54 4.55 -1.99 -1.30 -2.04 116.97 116.63 2ww3 h TYR 613 Ca 0.25 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.98 2ww3 h TYR 613 Cb 0.03 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.76 2ww3 h TYR 613 CO -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 178.16 178.18 2ww3 n ALA 614 N -2.10 2.89 -1.55 3.88 0.00 -0.95 -4.92 120.51 117.75 2ww3 n ALA 614 Ca 0.01 -1.23 -0.06 0.00 0.00 0.00 0.00 53.44 52.16 2ww3 n ALA 614 Cb 0.37 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 2ww3 n ALA 614 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ww3 n GLY 615 N 1.06 0.58 2.43 0.00 0.00 -0.77 -4.88 105.19 103.62 2ww3 n GLY 615 Ca 0.21 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 2ww3 n GLY 615 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ww3 n GLN 616 N -2.35 1.78 0.16 1.61 6.02 -0.74 -4.53 117.38 119.33 2ww3 n GLN 616 Ca -0.07 -3.96 0.12 0.00 -0.01 0.00 0.00 57.00 53.09 2ww3 n GLN 616 Cb 0.34 -1.83 0.58 0.00 1.02 0.00 0.00 30.24 30.35 2ww3 n GLN 616 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2ww3 h PRO 617 N 3.40 0.00 -0.24 -1.09 0.13 -1.84 -1.59 132.00 130.78 2ww3 h PRO 617 Ca 0.12 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.19 2ww3 h PRO 617 Cb 0.77 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 2ww3 h PRO 617 CO 0.63 0.00 -0.13 0.11 -0.23 0.00 0.00 178.00 178.39 2ww3 h TRP 618 N 0.00 0.41 -0.19 1.56 0.09 -1.90 -0.99 115.95 114.94 2ww3 h TRP 618 Ca 0.00 -0.06 -0.13 0.00 0.09 0.00 0.00 58.89 58.79 2ww3 h TRP 618 Cb 0.17 -0.11 -0.01 0.00 0.08 0.00 0.00 29.16 29.28 2ww3 h TRP 618 CO 0.00 0.51 -0.44 0.87 0.09 0.00 0.00 178.44 179.47 2ww3 h LYS 619 N 0.36 0.45 -0.28 0.12 1.57 -1.67 -0.49 116.57 116.63 2ww3 h LYS 619 Ca 0.07 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 2ww3 h LYS 619 Cb 0.45 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2ww3 h LYS 619 CO 0.03 0.81 0.07 0.00 -0.57 0.00 0.00 179.45 179.79 2ww3 h ALA 620 N 1.16 0.37 -0.38 3.86 0.00 -1.54 -1.67 119.26 121.07 2ww3 h ALA 620 Ca 0.03 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.82 2ww3 h ALA 620 Cb 0.92 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 2ww3 h ALA 620 CO 0.08 0.03 0.11 1.96 0.00 0.00 0.00 179.25 181.43 2ww3 h GLN 621 N 0.29 0.25 0.24 0.00 4.20 -0.98 0.22 115.11 119.33 2ww3 h GLN 621 Ca 0.09 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.79 2ww3 h GLN 621 Cb 0.28 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 2ww3 h GLN 621 CO 0.00 0.16 -0.31 -0.92 -0.67 0.00 0.00 178.83 177.10 2ww3 h TYR 622 N 0.26 -0.83 -0.12 2.96 3.20 -0.97 -2.86 116.97 118.60 2ww3 h TYR 622 Ca 0.18 0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.86 2ww3 h TYR 622 Cb 0.18 0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.79 2ww3 h TYR 622 CO -0.17 -0.43 -0.74 -1.49 -1.64 0.00 0.00 178.16 173.69 2ww3 h TRP 623 N -0.60 0.83 -0.67 -3.82 4.06 -0.97 -2.19 115.95 112.58 2ww3 h TRP 623 Ca 0.00 -0.36 0.01 0.00 2.06 0.00 0.00 58.89 60.60 2ww3 h TRP 623 Cb 0.58 -0.13 -0.03 0.00 -1.00 0.00 0.00 29.16 28.57 2ww3 h TRP 623 CO -0.22 1.16 0.45 -0.07 -3.56 0.00 0.00 178.44 176.19 2ww3 h LEU 624 N 0.42 0.76 -0.16 -4.49 3.38 -0.64 -0.04 115.31 114.55 2ww3 h LEU 624 Ca -0.04 -0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.68 2ww3 h LEU 624 Cb 1.35 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.92 2ww3 h LEU 624 CO 0.14 0.55 -0.84 -0.09 0.09 0.00 0.00 178.44 178.29 2ww3 h ARG 625 N 0.90 0.71 -0.35 1.13 9.65 -1.24 -0.56 114.38 124.62 2ww3 h ARG 625 Ca 0.25 -0.62 0.07 0.00 -1.10 0.00 0.00 59.98 58.58 2ww3 h ARG 625 Cb -0.08 0.14 -0.06 0.00 -1.39 0.00 0.00 29.97 28.58 2ww3 h ARG 625 CO -0.06 1.23 -0.06 1.96 2.80 0.00 0.00 179.97 185.85 2ww3 h GLN 626 N 0.46 0.03 -0.27 0.20 1.08 -0.90 -0.34 115.11 115.37 2ww3 h GLN 626 Ca -0.07 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2ww3 h GLN 626 Cb 1.47 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.88 2ww3 h GLN 626 CO 0.17 0.02 0.15 0.28 -0.95 0.00 0.00 178.83 178.50 2ww3 h VAL 627 N 0.03 1.11 -0.54 -0.54 2.07 -0.72 0.72 116.25 118.39 2ww3 h VAL 627 Ca 0.17 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 2ww3 h VAL 627 Cb 0.25 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2ww3 h VAL 627 CO -0.33 0.11 0.08 0.24 0.02 0.00 0.00 177.57 177.69 2ww3 h MET 628 N 0.33 0.86 0.02 1.57 2.86 -0.90 0.62 114.93 120.29 2ww3 h MET 628 Ca 0.10 -0.21 -0.22 0.00 -2.06 0.00 0.00 59.70 57.31 2ww3 h MET 628 Cb 0.05 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2ww3 h MET 628 CO -0.02 0.81 -0.96 -0.44 1.06 0.00 0.00 176.91 177.36 2ww3 h ASP 629 N 0.81 0.34 0.00 1.22 3.32 -0.87 -3.38 116.42 117.87 2ww3 h ASP 629 Ca 0.17 -0.29 -0.23 0.00 0.02 0.00 0.00 57.03 56.69 2ww3 h ASP 629 Cb 0.38 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 2ww3 h ASP 629 CO 0.01 1.12 -1.86 0.54 -1.72 0.00 0.00 179.24 177.33 2ww3 n ARG 630 N -3.64 1.86 0.00 3.56 1.74 0.23 -4.64 116.66 115.76 2ww3 n ARG 630 Ca -0.05 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.15 2ww3 n ARG 630 Cb 0.86 -1.32 0.19 0.00 -1.02 0.00 0.00 32.46 31.16 2ww3 n ARG 630 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2ww3 n MET 631 N -2.50 1.12 -4.26 5.56 2.81 0.19 -4.79 117.12 115.26 2ww3 n MET 631 Ca -0.21 -0.82 -0.24 0.00 -1.81 0.00 0.00 57.70 54.62 2ww3 n MET 631 Cb 0.90 -1.48 -0.17 0.00 -0.71 0.00 0.00 33.22 31.76 2ww3 n MET 631 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2ww3 s TYR 632 N -2.45 1.31 0.18 2.03 1.51 -1.25 -3.07 117.35 115.61 2ww3 s TYR 632 Ca 0.22 -0.53 0.04 0.00 -1.01 0.00 0.00 57.07 55.80 2ww3 s TYR 632 Cb 0.19 -1.04 -0.05 0.00 -0.11 0.00 0.00 41.96 40.95 2ww3 s TYR 632 CO 0.53 -0.34 -0.07 0.95 -1.11 0.00 0.00 175.55 175.51 2ww3 s THR 633 N 1.09 1.18 -1.97 -0.71 -4.23 0.10 -4.79 115.64 106.31 2ww3 s THR 633 Ca -0.07 -2.07 0.30 0.00 -1.18 0.00 0.00 61.69 58.67 2ww3 s THR 633 Cb -0.14 -2.04 0.64 0.00 1.34 0.00 0.00 72.50 72.29 2ww3 s THR 633 CO -0.01 -0.58 1.97 -0.81 -0.54 0.00 0.00 174.62 174.64 2ww3 n PRO 634 N -0.29 1.02 -1.87 3.99 -0.04 -1.26 -4.21 135.00 132.34 2ww3 n PRO 634 Ca -0.08 -0.32 -0.18 0.00 -0.04 0.00 0.00 63.50 62.88 2ww3 n PRO 634 Cb 0.62 -1.49 0.10 0.00 -0.04 0.00 0.00 33.50 32.69 2ww3 n PRO 634 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ww3 n GLY 635 N 1.16 0.14 0.39 0.55 0.00 -1.26 -4.76 105.19 101.41 2ww3 n GLY 635 Ca 0.19 -1.93 0.18 0.00 0.00 0.00 0.00 46.02 44.46 2ww3 n GLY 635 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ww3 h PRO 636 N 0.00 0.36 -1.70 1.61 0.11 -1.92 -0.31 132.00 130.15 2ww3 h PRO 636 Ca -0.26 -0.02 -0.69 0.00 0.11 0.00 0.00 66.00 65.14 2ww3 h PRO 636 Cb 0.88 -0.08 -0.26 0.00 0.11 0.00 0.00 31.00 31.66 2ww3 h PRO 636 CO 0.25 0.24 0.90 -0.40 -0.21 0.00 0.00 178.00 178.78 2ww3 n ASP 637 N -4.47 7.41 0.14 -2.05 3.85 -1.26 0.42 116.55 120.58 2ww3 n ASP 637 Ca 0.16 -3.71 0.00 0.00 -0.71 0.00 0.00 54.79 50.54 2ww3 n ASP 637 Cb 0.63 -1.06 0.14 0.00 -1.35 0.00 0.00 41.12 39.48 2ww3 n ASP 637 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 2ww3 h GLY 638 N 2.81 0.00 -1.72 6.12 0.00 -1.15 -3.45 103.07 105.68 2ww3 h GLY 638 Ca 0.55 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 47.43 2ww3 h GLY 638 CO 1.38 0.00 0.00 -0.19 0.00 0.00 0.00 176.54 177.73 2ww3 s TYR 639 N -3.34 2.65 -2.56 5.60 1.51 -0.49 -0.72 117.35 120.00 2ww3 s TYR 639 Ca 0.00 -0.03 0.21 0.00 -1.01 0.00 0.00 57.07 56.24 2ww3 s TYR 639 Cb 0.11 -2.81 0.20 0.00 -0.11 0.00 0.00 41.96 39.35 2ww3 s TYR 639 CO 0.75 -1.04 1.19 0.00 -1.11 0.00 0.00 175.55 175.34 2ww3 n GLY 641 N 1.20 -1.14 3.77 0.00 0.00 -1.24 -4.65 105.19 103.13 2ww3 n GLY 641 Ca 0.13 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 2ww3 n GLY 641 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ww3 s ASP 642 N -4.00 6.32 0.11 1.61 1.11 -1.26 -2.18 116.67 118.39 2ww3 s ASP 642 Ca 0.00 3.05 -0.10 0.00 0.18 0.00 0.00 52.55 55.68 2ww3 s ASP 642 Cb 0.00 -2.66 -0.12 0.00 1.07 0.00 0.00 42.92 41.21 2ww3 s ASP 642 CO 0.00 -0.90 1.32 -0.08 1.18 0.00 0.00 175.17 176.69 2ww3 h GLU 643 N 3.40 0.71 -5.33 8.23 4.22 -1.43 -3.44 114.58 120.94 2ww3 h GLU 643 Ca -0.50 -0.60 -0.25 0.00 0.08 0.00 0.00 59.36 58.09 2ww3 h GLU 643 Cb 1.24 0.13 0.18 0.00 0.50 0.00 0.00 28.75 30.80 2ww3 h GLU 643 CO 0.68 1.21 -0.79 -0.25 -2.18 0.00 0.00 179.01 177.67 2ww3 n ASP 644 N -3.91 -5.53 -2.67 1.04 8.00 -1.26 -1.80 116.55 110.41 2ww3 n ASP 644 Ca -0.07 -0.65 -0.20 0.00 0.71 0.00 0.00 54.79 54.58 2ww3 n ASP 644 Cb 0.75 -4.92 0.01 0.00 -0.02 0.00 0.00 41.12 36.94 2ww3 n ASP 644 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2ww3 n ASN 645 N -3.10 -5.46 0.00 -2.24 4.13 -1.26 -1.86 115.26 105.46 2ww3 n ASN 645 Ca -0.11 -0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.06 2ww3 n ASN 645 Cb 0.62 -4.51 0.00 0.00 -1.54 0.00 0.00 39.78 34.35 2ww3 n ASN 645 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ww3 n GLY 646 N -1.15 2.15 0.33 7.41 0.00 -1.25 -4.56 105.19 108.13 2ww3 n GLY 646 Ca -0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 2ww3 n GLY 646 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2ww3 h GLN 647 N 0.63 -0.68 0.00 1.61 5.75 -1.42 0.33 115.11 121.33 2ww3 h GLN 647 Ca 0.00 0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.48 2ww3 h GLN 647 Cb 0.00 0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 2ww3 h GLN 647 CO 0.00 -0.45 -0.30 1.15 -2.65 0.00 0.00 178.83 176.57 2ww3 h THR 648 N -0.70 1.03 0.03 2.39 2.02 -1.60 -1.04 112.91 115.05 2ww3 h THR 648 Ca -0.04 -1.11 -0.16 0.00 0.77 0.00 0.00 66.41 65.87 2ww3 h THR 648 Cb 0.59 1.63 0.01 0.00 -1.74 0.00 0.00 68.15 68.65 2ww3 h THR 648 CO 0.02 0.30 -0.64 0.28 0.37 0.00 0.00 175.52 175.84 2ww3 h SER 649 N 0.00 0.51 0.05 4.18 0.02 -1.68 -3.23 113.55 113.41 2ww3 h SER 649 Ca -0.00 -0.80 -0.02 0.00 -0.84 0.00 0.00 61.79 60.13 2ww3 h SER 649 Cb 0.61 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 2ww3 h SER 649 CO 0.04 1.26 -0.07 0.00 -1.14 0.00 0.00 176.83 176.92 2ww3 h ALA 650 N 0.27 1.83 -0.62 3.77 0.00 -0.10 -1.23 119.26 123.18 2ww3 h ALA 650 Ca -0.09 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.81 2ww3 h ALA 650 Cb 1.38 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 2ww3 h ALA 650 CO 0.13 0.13 0.30 2.35 0.00 0.00 0.00 179.25 182.15 2ww3 h TRP 651 N 0.04 0.54 -0.29 0.00 7.01 -1.21 -0.90 115.95 121.15 2ww3 h TRP 651 Ca 0.01 0.03 -0.14 0.00 2.11 0.00 0.00 58.89 60.89 2ww3 h TRP 651 Cb 0.15 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.05 2ww3 h TRP 651 CO 0.00 0.22 -0.41 -0.92 -2.79 0.00 0.00 178.44 174.54 2ww3 h TYR 652 N 0.55 0.83 0.59 2.65 5.03 -1.29 0.12 116.97 125.45 2ww3 h TYR 652 Ca 0.29 -0.25 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 2ww3 h TYR 652 Cb 0.26 -0.18 -0.00 0.00 1.55 0.00 0.00 36.73 38.36 2ww3 h TYR 652 CO -0.11 0.99 -0.34 0.28 -1.32 0.00 0.00 178.16 177.66 2ww3 h VAL 653 N 0.57 0.31 0.03 1.81 2.07 -0.74 0.34 116.25 120.63 2ww3 h VAL 653 Ca 0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.58 2ww3 h VAL 653 Cb 0.95 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2ww3 h VAL 653 CO 0.09 0.00 -0.13 -0.26 0.02 0.00 0.00 177.57 177.29 2ww3 h PHE 654 N -0.87 -0.34 -0.80 1.57 0.04 -1.23 -2.59 116.94 112.72 2ww3 h PHE 654 Ca -0.07 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 2ww3 h PHE 654 Cb 0.70 0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.95 2ww3 h PHE 654 CO -0.08 -0.20 0.46 0.77 -0.60 0.00 0.00 178.31 178.66 2ww3 h SER 655 N -0.24 0.98 0.59 2.17 0.02 -0.79 -0.62 113.55 115.66 2ww3 h SER 655 Ca 0.04 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 2ww3 h SER 655 Cb 0.28 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2ww3 h SER 655 CO -0.10 0.77 -0.19 0.00 -1.14 0.00 0.00 176.83 176.16 2ww3 h ALA 656 N 1.39 1.17 0.00 3.77 0.00 -0.25 -1.02 119.26 124.33 2ww3 h ALA 656 Ca 0.29 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2ww3 h ALA 656 Cb -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2ww3 h ALA 656 CO -0.05 0.24 -0.43 -0.07 0.00 0.00 0.00 179.25 178.94 2ww3 h LEU 657 N 0.00 0.00 0.00 0.00 3.38 -0.74 0.24 115.31 118.19 2ww3 h LEU 657 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ww3 h LEU 657 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2ww3 h LEU 657 CO 0.02 0.43 0.00 0.61 0.09 0.00 0.00 178.44 179.59 2ww3 n GLY 658 N 0.52 1.30 3.77 0.83 0.00 -0.39 -4.48 105.19 106.74 2ww3 n GLY 658 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2ww3 n GLY 658 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ww3 s PHE 659 N -2.00 0.02 -0.21 1.61 -0.12 -1.10 -0.82 117.98 115.35 2ww3 s PHE 659 Ca 0.00 -0.46 -0.16 0.00 -0.05 0.00 0.00 56.93 56.26 2ww3 s PHE 659 Cb 0.00 0.54 0.06 0.00 -0.63 0.00 0.00 43.02 42.99 2ww3 s PHE 659 CO 0.00 -1.18 0.54 -0.47 -0.05 0.00 0.00 175.22 174.06 2ww3 s TYR 660 N -3.85 -0.68 -1.17 3.49 6.14 -0.05 -3.74 117.35 117.50 2ww3 s TYR 660 Ca 0.15 1.54 -0.21 0.00 0.64 0.00 0.00 57.07 59.19 2ww3 s TYR 660 Cb -0.04 0.29 -0.01 0.00 0.42 0.00 0.00 41.96 42.62 2ww3 s TYR 660 CO 0.08 -0.34 1.81 -1.25 0.64 0.00 0.00 175.55 176.50 2ww3 s PRO 661 N 0.75 3.14 0.28 4.97 0.04 -1.26 0.79 135.00 143.71 2ww3 s PRO 661 Ca -0.04 -1.34 -0.01 0.00 0.04 0.00 0.00 61.00 59.65 2ww3 s PRO 661 Cb -0.05 -5.34 0.40 0.00 0.04 0.00 0.00 34.50 29.55 2ww3 s PRO 661 CO -0.06 -3.12 1.83 0.28 0.04 0.00 0.00 177.00 175.97 2ww3 h VAL 662 N 6.17 1.22 -2.76 -0.36 2.07 -1.87 -3.37 116.25 117.35 2ww3 h VAL 662 Ca 0.28 -0.81 -0.60 0.00 0.82 0.00 0.00 66.70 66.39 2ww3 h VAL 662 Cb 0.93 0.67 -0.40 0.00 -1.52 0.00 0.00 31.29 30.97 2ww3 h VAL 662 CO 1.33 0.30 -0.78 0.00 0.02 0.00 0.00 177.57 178.44 2ww3 n PRO 664 N 2.78 1.07 0.00 0.00 -0.02 -1.26 -1.68 135.00 135.89 2ww3 n PRO 664 Ca 0.21 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2ww3 n PRO 664 Cb 0.40 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 2ww3 n PRO 664 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ww3 n GLY 665 N 1.27 3.02 3.99 -1.23 0.00 -1.26 -4.86 105.19 106.12 2ww3 n GLY 665 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 2ww3 n GLY 665 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ww3 s THR 666 N -2.88 2.54 -0.44 2.61 -4.23 -0.68 -4.88 115.64 107.67 2ww3 s THR 666 Ca 0.00 -0.71 0.09 0.00 -1.18 0.00 0.00 61.69 59.89 2ww3 s THR 666 Cb 0.00 -2.83 0.56 0.00 1.34 0.00 0.00 72.50 71.57 2ww3 s THR 666 CO 0.00 0.00 1.42 -0.90 -0.54 0.00 0.00 174.62 174.60 2ww3 n ASP 667 N -2.39 4.21 -4.65 3.99 5.75 -1.26 -4.97 116.55 117.22 2ww3 n ASP 667 Ca 0.10 -2.73 -0.33 0.00 -0.01 0.00 0.00 54.79 51.82 2ww3 n ASP 667 Cb 0.60 -0.65 -0.09 0.00 -1.03 0.00 0.00 41.12 39.95 2ww3 n ASP 667 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2ww3 s GLU 668 N -2.25 2.73 -0.11 0.11 2.02 -1.26 0.17 118.70 120.11 2ww3 s GLU 668 Ca 0.39 -0.62 0.02 0.00 0.02 0.00 0.00 54.97 54.77 2ww3 s GLU 668 Cb 0.30 -2.63 -0.01 0.00 0.10 0.00 0.00 34.13 31.90 2ww3 s GLU 668 CO 0.11 0.63 -0.19 0.71 0.02 0.00 0.00 175.26 176.53 2ww3 s TYR 669 N -1.03 2.67 -0.01 1.61 1.51 0.65 -4.51 117.35 118.23 2ww3 s TYR 669 Ca 0.18 -0.83 -0.21 0.00 -1.01 0.00 0.00 57.07 55.20 2ww3 s TYR 669 Cb -0.11 -1.76 -0.05 0.00 -0.11 0.00 0.00 41.96 39.92 2ww3 s TYR 669 CO 0.08 -0.30 0.60 0.08 -1.11 0.00 0.00 175.55 174.90 2ww3 s VAL 670 N 0.30 4.92 0.26 0.71 1.01 0.24 -0.57 120.40 127.27 2ww3 s VAL 670 Ca -0.14 1.25 -0.29 0.00 0.00 0.00 0.00 61.98 62.79 2ww3 s VAL 670 Cb -0.17 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.18 2ww3 s VAL 670 CO 0.07 0.41 1.24 -0.32 0.00 0.00 0.00 175.10 176.50 2ww3 s MET 671 N -0.11 4.45 0.00 2.72 1.75 0.74 -0.87 119.30 127.99 2ww3 s MET 671 Ca 0.31 2.03 0.00 0.00 -1.25 0.00 0.00 55.69 56.78 2ww3 s MET 671 Cb -0.18 -3.15 0.00 0.00 2.84 0.00 0.00 34.83 34.33 2ww3 s MET 671 CO 0.17 -0.09 0.00 0.41 -0.65 0.00 0.00 175.02 174.86 2ww3 n GLY 672 N 1.50 1.87 3.18 2.11 0.00 -0.00 -4.92 105.19 108.93 2ww3 n GLY 672 Ca 0.02 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 2ww3 n GLY 672 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ww3 s THR 673 N 2.39 -0.14 0.49 2.61 -1.32 -1.25 -4.67 115.64 113.74 2ww3 s THR 673 Ca 0.00 0.14 -0.21 0.00 -1.21 0.00 0.00 61.69 60.41 2ww3 s THR 673 Cb 0.00 -0.53 -0.08 0.00 -1.51 0.00 0.00 72.50 70.38 2ww3 s THR 673 CO 0.00 0.06 1.09 -2.16 -2.21 0.00 0.00 174.62 171.39 2ww3 s PRO 674 N 1.61 3.70 -0.01 7.08 0.04 -1.26 -4.25 135.00 141.91 2ww3 s PRO 674 Ca -0.07 1.51 0.14 0.00 0.04 0.00 0.00 61.00 62.62 2ww3 s PRO 674 Cb -0.10 -2.17 -0.20 0.00 0.04 0.00 0.00 34.50 32.07 2ww3 s PRO 674 CO -0.11 -0.54 0.71 -0.11 0.04 0.00 0.00 177.00 176.99 2ww3 n LEU 675 N -0.89 0.88 -4.81 -3.56 7.94 0.85 -4.92 117.00 112.49 2ww3 n LEU 675 Ca 0.09 0.41 -0.22 0.00 -1.11 0.00 0.00 56.01 55.18 2ww3 n LEU 675 Cb 0.51 0.14 -0.05 0.00 0.53 0.00 0.00 43.42 44.56 2ww3 n LEU 675 CO 0.42 0.32 -0.16 -0.36 -1.11 0.00 0.00 177.39 176.50 2ww3 s PHE 676 N -2.69 3.00 0.36 1.96 0.08 -1.25 -4.91 117.98 114.53 2ww3 s PHE 676 Ca -0.04 -0.18 0.12 0.00 0.12 0.00 0.00 56.93 56.95 2ww3 s PHE 676 Cb 0.08 -1.49 0.67 0.00 -0.57 0.00 0.00 43.02 41.71 2ww3 s PHE 676 CO 0.82 0.44 1.80 0.87 -0.10 0.00 0.00 175.22 179.05 2ww3 h LYS 677 N 1.47 0.01 -2.97 0.44 1.57 -1.40 -3.42 116.57 112.27 2ww3 h LYS 677 Ca -0.47 -0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.17 2ww3 h LYS 677 Cb 1.24 -0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.31 2ww3 h LYS 677 CO 0.60 0.41 -0.33 0.21 -0.57 0.00 0.00 179.45 179.77 2ww3 s LYS 678 N -4.12 0.42 -0.02 3.15 2.20 -1.03 -0.65 119.74 119.69 2ww3 s LYS 678 Ca -0.03 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.95 2ww3 s LYS 678 Cb 0.14 0.20 0.02 0.00 -1.51 0.00 0.00 37.83 36.68 2ww3 s LYS 678 CO 0.73 -0.06 -0.00 0.00 -0.36 0.00 0.00 175.35 175.66 2ww3 s ALA 679 N -0.03 0.29 -0.16 3.13 0.00 -0.74 -0.92 121.76 123.32 2ww3 s ALA 679 Ca -0.02 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.09 2ww3 s ALA 679 Cb -0.03 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.83 2ww3 s ALA 679 CO 0.01 -0.05 -0.20 0.99 0.00 0.00 0.00 175.76 176.51 2ww3 s THR 680 N 0.86 2.13 -0.15 0.00 2.01 0.08 0.80 115.64 121.38 2ww3 s THR 680 Ca -0.09 -0.94 -0.13 0.00 0.31 0.00 0.00 61.69 60.85 2ww3 s THR 680 Cb -0.12 -1.88 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 2ww3 s THR 680 CO -0.02 0.54 0.28 -0.76 -0.69 0.00 0.00 174.62 173.97 2ww3 s LEU 681 N 1.05 4.26 -0.47 4.42 1.43 0.16 -1.60 118.68 127.93 2ww3 s LEU 681 Ca -0.01 0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 53.54 2ww3 s LEU 681 Cb -0.14 -2.35 0.12 0.00 0.03 0.00 0.00 46.19 43.85 2ww3 s LEU 681 CO -0.07 0.14 0.30 -1.00 0.23 0.00 0.00 176.35 175.95 2ww3 s HIS 682 N 0.29 3.51 0.75 0.29 3.76 0.01 -0.49 115.29 123.41 2ww3 s HIS 682 Ca 0.16 -2.24 -0.11 0.00 -0.15 0.00 0.00 55.06 52.72 2ww3 s HIS 682 Cb -0.13 -3.34 0.04 0.00 1.11 0.00 0.00 32.58 30.25 2ww3 s HIS 682 CO 0.04 -0.97 1.08 -0.06 -0.85 0.00 0.00 174.74 173.98 2ww3 s PHE 683 N 1.04 2.91 -0.43 1.40 0.08 -0.17 -4.84 117.98 117.96 2ww3 s PHE 683 Ca 0.09 1.36 0.26 0.00 0.12 0.00 0.00 56.93 58.76 2ww3 s PHE 683 Cb -0.23 -2.99 0.84 0.00 -0.57 0.00 0.00 43.02 40.07 2ww3 s PHE 683 CO -0.03 -1.53 1.76 0.93 -0.10 0.00 0.00 175.22 176.25 2ww3 h GLU 684 N -0.93 0.00 0.00 0.44 5.08 -1.86 -2.35 114.58 114.96 2ww3 h GLU 684 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2ww3 h GLU 684 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2ww3 h GLU 684 CO 0.56 0.00 0.00 0.27 -1.00 0.00 0.00 179.01 178.84 2ww3 n ASN 685 N -2.64 0.00 0.00 1.42 2.04 -1.26 -4.89 115.26 109.94 2ww3 n ASN 685 Ca 0.03 -0.82 0.00 0.00 -0.44 0.00 0.00 54.58 53.35 2ww3 n ASN 685 Cb 0.39 -0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.63 2ww3 n ASN 685 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2ww3 n GLY 686 N 0.66 1.20 3.89 4.83 0.00 -0.88 -5.05 105.19 109.83 2ww3 n GLY 686 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 2ww3 n GLY 686 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ww3 s ASN 687 N -3.06 6.36 0.08 1.61 0.01 -1.26 -4.90 114.94 113.78 2ww3 s ASN 687 Ca 0.00 1.08 0.06 0.00 -0.71 0.00 0.00 52.86 53.29 2ww3 s ASN 687 Cb 0.00 -2.31 -0.03 0.00 0.41 0.00 0.00 41.25 39.32 2ww3 s ASN 687 CO 0.00 -0.55 -0.16 -0.44 -1.51 0.00 0.00 177.10 174.44 2ww3 s SER 688 N -3.75 1.86 -0.09 -1.22 0.01 -1.26 -1.00 113.70 108.25 2ww3 s SER 688 Ca 0.50 -0.63 0.01 0.00 1.31 0.00 0.00 55.95 57.13 2ww3 s SER 688 Cb -0.10 -0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.08 2ww3 s SER 688 CO 0.41 -0.05 -0.09 -0.22 0.41 0.00 0.00 173.24 173.70 2ww3 s LEU 689 N -1.78 1.34 -0.17 2.44 2.96 0.35 -0.95 118.68 122.87 2ww3 s LEU 689 Ca -0.00 -0.27 -0.13 0.00 -0.22 0.00 0.00 54.13 53.51 2ww3 s LEU 689 Cb -0.10 -0.77 -0.05 0.00 0.50 0.00 0.00 46.19 45.77 2ww3 s LEU 689 CO 0.03 -0.06 0.25 -0.69 -1.32 0.00 0.00 176.35 174.56 2ww3 s VAL 690 N 1.26 5.33 -0.44 1.68 1.01 -0.28 0.36 120.40 129.33 2ww3 s VAL 690 Ca -0.04 0.46 -0.10 0.00 0.00 0.00 0.00 61.98 62.31 2ww3 s VAL 690 Cb -0.14 -3.59 0.09 0.00 0.00 0.00 0.00 36.38 32.74 2ww3 s VAL 690 CO -0.03 0.41 0.30 -0.63 0.00 0.00 0.00 175.10 175.15 2ww3 s ILE 691 N 0.38 4.31 -0.30 2.22 1.01 0.24 -0.71 121.20 128.34 2ww3 s ILE 691 Ca 0.15 -1.48 -0.13 0.00 0.00 0.00 0.00 60.65 59.18 2ww3 s ILE 691 Cb -0.13 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 2ww3 s ILE 691 CO 0.03 -0.59 0.29 -1.81 0.00 0.00 0.00 174.94 172.86 2ww3 s ASP 692 N 2.32 6.13 -0.42 3.58 -0.00 0.81 -1.80 116.67 127.31 2ww3 s ASP 692 Ca 0.04 -0.04 0.08 0.00 -0.00 0.00 0.00 52.55 52.64 2ww3 s ASP 692 Cb -0.24 -2.17 0.27 0.00 -0.00 0.00 0.00 42.92 40.78 2ww3 s ASP 692 CO 0.02 -0.19 0.59 0.00 -0.00 0.00 0.00 175.17 175.59 2ww3 n ALA 693 N 5.23 2.59 0.31 5.23 0.00 0.18 0.26 120.51 134.31 2ww3 n ALA 693 Ca -0.11 -3.58 0.20 0.00 0.00 0.00 0.00 53.44 49.95 2ww3 n ALA 693 Cb 0.51 -0.84 0.97 0.00 0.00 0.00 0.00 19.45 20.09 2ww3 n ALA 693 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ww3 h PRO 694 N 3.83 0.00 -0.64 0.00 0.13 -1.77 -1.73 132.00 131.82 2ww3 h PRO 694 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2ww3 h PRO 694 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2ww3 h PRO 694 CO 0.52 0.01 0.00 -1.71 -0.23 0.00 0.00 178.00 176.59 2ww3 n ASN 695 N -3.17 4.67 -4.77 1.44 5.15 -1.26 -4.95 115.26 112.37 2ww3 n ASN 695 Ca -0.02 -2.50 -0.39 0.00 -0.60 0.00 0.00 54.58 51.06 2ww3 n ASN 695 Cb 0.17 -0.58 -0.01 0.00 -0.53 0.00 0.00 39.78 38.83 2ww3 n ASN 695 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2ww3 s ASN 696 N -0.83 6.46 0.30 1.20 3.84 -0.65 -4.71 114.94 120.55 2ww3 s ASN 696 Ca 0.48 2.59 -0.10 0.00 0.21 0.00 0.00 52.86 56.05 2ww3 s ASN 696 Cb 0.32 -2.64 0.04 0.00 -0.55 0.00 0.00 41.25 38.43 2ww3 s ASN 696 CO 0.21 -0.74 0.58 -1.54 -2.79 0.00 0.00 177.10 172.82 2ww3 n SER 697 N 0.27 -1.68 0.10 -4.21 3.41 -1.25 -4.86 113.62 105.41 2ww3 n SER 697 Ca 0.03 -2.23 0.07 0.00 -0.26 0.00 0.00 58.87 56.48 2ww3 n SER 697 Cb 0.44 2.81 0.53 0.00 -0.26 0.00 0.00 64.21 67.74 2ww3 n SER 697 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2ww3 h THR 698 N 1.75 1.02 0.01 6.66 2.02 -1.97 -3.08 112.91 119.33 2ww3 h THR 698 Ca -0.25 -0.10 -0.32 0.00 0.77 0.00 0.00 66.41 66.51 2ww3 h THR 698 Cb 0.94 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 68.00 2ww3 h THR 698 CO 0.32 0.05 -1.96 -0.62 0.37 0.00 0.00 175.52 173.68 2ww3 n GLU 699 N -4.50 0.66 -2.84 6.66 4.71 -1.26 -4.67 120.64 119.40 2ww3 n GLU 699 Ca 0.02 0.20 -0.44 0.00 -0.01 0.00 0.00 57.16 56.93 2ww3 n GLU 699 Cb 0.13 -1.70 0.00 0.00 -1.01 0.00 0.00 31.44 28.87 2ww3 n GLU 699 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2ww3 n ASN 700 N -3.00 5.46 -0.67 1.62 5.03 -1.16 -4.16 115.26 118.38 2ww3 n ASN 700 Ca -0.24 -3.11 0.07 0.00 0.87 0.00 0.00 54.58 52.17 2ww3 n ASN 700 Cb 1.08 -1.45 0.13 0.00 -1.02 0.00 0.00 39.78 38.52 2ww3 n ASN 700 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 2ww3 n PHE 701 N 3.75 0.32 -3.45 3.10 1.16 -1.10 -3.79 117.46 117.45 2ww3 n PHE 701 Ca 0.33 -0.29 -0.35 0.00 -1.87 0.00 0.00 57.45 55.27 2ww3 n PHE 701 Cb 0.38 -0.01 -0.06 0.00 -1.61 0.00 0.00 39.48 38.18 2ww3 n PHE 701 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 2ww3 s TYR 702 N -1.05 3.61 -0.45 2.97 2.02 -0.44 -4.67 117.35 119.34 2ww3 s TYR 702 Ca 0.23 0.96 -0.24 0.00 -0.37 0.00 0.00 57.07 57.64 2ww3 s TYR 702 Cb 0.13 -2.28 0.03 0.00 -0.40 0.00 0.00 41.96 39.43 2ww3 s TYR 702 CO 0.18 0.49 0.82 0.42 -1.57 0.00 0.00 175.55 175.89 2ww3 s ILE 703 N -1.40 4.60 -0.02 2.71 1.01 -1.26 -1.20 121.20 125.64 2ww3 s ILE 703 Ca 0.35 0.54 -0.22 0.00 0.00 0.00 0.00 60.65 61.32 2ww3 s ILE 703 Cb -0.15 -4.35 -0.23 0.00 0.01 0.00 0.00 42.46 37.74 2ww3 s ILE 703 CO 0.18 -0.74 1.07 -0.78 0.00 0.00 0.00 174.94 174.67 2ww3 h ASP 704 N 8.98 0.38 -5.07 3.58 3.58 -1.02 -3.41 116.42 123.44 2ww3 h ASP 704 Ca -0.25 -0.76 0.01 0.00 0.42 0.00 0.00 57.03 56.45 2ww3 h ASP 704 Cb 1.08 -0.12 -0.08 0.00 1.72 0.00 0.00 39.33 41.94 2ww3 h ASP 704 CO 0.98 1.09 0.11 -0.94 -2.88 0.00 0.00 179.24 177.60 2ww3 s SER 705 N -6.53 -0.27 -0.09 2.28 1.04 -1.21 -4.90 113.70 104.03 2ww3 s SER 705 Ca -0.15 -0.54 -0.12 0.00 0.48 0.00 0.00 55.95 55.63 2ww3 s SER 705 Cb 0.02 0.64 0.03 0.00 0.10 0.00 0.00 66.02 66.81 2ww3 s SER 705 CO 0.78 -1.17 0.31 -0.32 0.98 0.00 0.00 173.24 173.82 2ww3 s MET 706 N -3.90 0.45 0.06 4.02 1.75 -1.26 -0.64 119.30 119.78 2ww3 s MET 706 Ca 0.11 0.25 0.02 0.00 -1.25 0.00 0.00 55.69 54.82 2ww3 s MET 706 Cb -0.03 0.21 -0.03 0.00 2.84 0.00 0.00 34.83 37.82 2ww3 s MET 706 CO 0.02 -0.08 -0.08 -1.54 -0.65 0.00 0.00 175.02 172.69 2ww3 s SER 707 N -0.26 0.95 -0.27 1.11 1.04 -0.26 -0.86 113.70 115.16 2ww3 s SER 707 Ca -0.04 -0.66 0.02 0.00 0.48 0.00 0.00 55.95 55.75 2ww3 s SER 707 Cb -0.03 0.05 0.07 0.00 0.10 0.00 0.00 66.02 66.21 2ww3 s SER 707 CO 0.01 -0.26 -0.02 0.12 0.98 0.00 0.00 173.24 174.07 2ww3 s PHE 708 N -1.91 2.79 -1.38 5.02 2.19 0.13 -0.70 117.98 124.12 2ww3 s PHE 708 Ca -0.05 -2.14 -0.03 0.00 0.33 0.00 0.00 56.93 55.04 2ww3 s PHE 708 Cb -0.06 -1.96 0.02 0.00 -1.31 0.00 0.00 43.02 39.70 2ww3 s PHE 708 CO -0.01 -0.85 0.69 0.09 1.83 0.00 0.00 175.22 176.98 2ww3 n ASN 709 N 4.55 -1.64 0.00 6.13 5.03 0.69 -2.11 115.26 127.91 2ww3 n ASN 709 Ca -0.08 -0.86 0.00 0.00 0.87 0.00 0.00 54.58 54.52 2ww3 n ASN 709 Cb 0.43 -3.79 0.00 0.00 -1.02 0.00 0.00 39.78 35.40 2ww3 n ASN 709 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ww3 n GLY 710 N -1.68 2.84 3.78 7.41 0.00 -1.26 -5.02 105.19 111.26 2ww3 n GLY 710 Ca -0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 2ww3 n GLY 710 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ww3 s ALA 711 N -1.76 3.49 0.39 4.61 0.00 -0.90 -5.02 121.76 122.57 2ww3 s ALA 711 Ca 0.00 0.18 -0.25 0.00 0.00 0.00 0.00 51.96 51.89 2ww3 s ALA 711 Cb 0.00 -2.82 -0.12 0.00 0.00 0.00 0.00 23.12 20.19 2ww3 s ALA 711 CO 0.00 0.27 1.00 -0.25 0.00 0.00 0.00 175.76 176.78 2ww3 n ASP 712 N 2.04 1.26 -3.56 0.00 8.00 -1.26 -0.69 116.55 122.34 2ww3 n ASP 712 Ca -0.07 1.07 -0.29 0.00 0.71 0.00 0.00 54.79 56.21 2ww3 n ASP 712 Cb 0.50 -1.34 -0.14 0.00 -0.02 0.00 0.00 41.12 40.12 2ww3 n ASP 712 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2ww3 s HIS 713 N -1.23 0.79 -1.33 1.24 2.46 -0.04 -4.71 115.29 112.48 2ww3 s HIS 713 Ca 0.62 -1.36 0.18 0.00 0.47 0.00 0.00 55.06 54.96 2ww3 s HIS 713 Cb -0.59 -1.11 -0.08 0.00 -0.13 0.00 0.00 32.58 30.67 2ww3 s HIS 713 CO 0.58 -0.83 0.85 0.25 -2.47 0.00 0.00 174.74 173.12 2ww3 n THR 714 N 4.68 0.00 -1.71 0.89 -2.24 -1.26 -4.10 114.28 110.54 2ww3 n THR 714 Ca 0.01 -0.23 -0.36 0.00 -2.27 0.00 0.00 64.05 61.21 2ww3 n THR 714 Cb 0.40 1.13 0.07 0.00 -2.10 0.00 0.00 70.33 69.83 2ww3 n THR 714 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ww3 s LYS 715 N -2.29 2.53 -0.11 -0.78 1.02 -1.26 -3.61 119.74 115.23 2ww3 s LYS 715 Ca 0.12 1.89 0.05 0.00 0.02 0.00 0.00 55.97 58.04 2ww3 s LYS 715 Cb 0.14 -1.87 0.31 0.00 -0.52 0.00 0.00 37.83 35.90 2ww3 s LYS 715 CO 0.55 -1.57 1.07 0.09 -0.92 0.00 0.00 175.35 174.58 2ww3 n ASN 716 N -2.10 2.97 -3.59 2.83 5.03 0.68 -4.90 115.26 116.17 2ww3 n ASN 716 Ca 0.14 -2.42 -0.14 0.00 0.87 0.00 0.00 54.58 53.03 2ww3 n ASN 716 Cb 0.49 -0.59 -0.06 0.00 -1.02 0.00 0.00 39.78 38.61 2ww3 n ASN 716 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2ww3 s TYR 717 N -1.62 -0.40 0.10 3.10 1.13 -1.26 -0.18 117.35 118.21 2ww3 s TYR 717 Ca 0.22 0.45 0.08 0.00 -1.41 0.00 0.00 57.07 56.41 2ww3 s TYR 717 Cb 0.17 0.32 -0.04 0.00 -1.10 0.00 0.00 41.96 41.31 2ww3 s TYR 717 CO 0.06 -0.62 -0.17 -0.51 -2.51 0.00 0.00 175.55 171.79 2ww3 s LEU 718 N -1.92 2.71 -0.14 -3.49 1.43 0.27 -4.93 118.68 112.61 2ww3 s LEU 718 Ca -0.06 -0.52 -0.07 0.00 -1.03 0.00 0.00 54.13 52.45 2ww3 s LEU 718 Cb -0.01 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 2ww3 s LEU 718 CO -0.01 0.19 0.12 -0.13 0.23 0.00 0.00 176.35 176.75 2ww3 s ARG 719 N -2.01 3.56 0.20 1.70 0.52 -1.26 -0.26 118.95 121.42 2ww3 s ARG 719 Ca 0.18 -0.19 -0.17 0.00 -0.52 0.00 0.00 55.73 55.03 2ww3 s ARG 719 Cb -0.11 -3.19 0.20 0.00 0.52 0.00 0.00 34.95 32.37 2ww3 s ARG 719 CO 0.09 0.65 1.60 1.25 0.02 0.00 0.00 175.30 178.91 2ww3 h HIS 720 N 5.43 -0.63 0.00 -0.53 -0.00 -0.64 0.07 115.15 118.85 2ww3 h HIS 720 Ca -0.51 0.07 -0.05 0.00 -0.00 0.00 0.00 60.37 59.88 2ww3 h HIS 720 Cb 1.21 0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 28.98 2ww3 h HIS 720 CO 0.70 -0.34 -0.23 0.93 -0.00 0.00 0.00 177.93 178.99 2ww3 h GLU 721 N -0.08 0.00 -0.02 5.26 3.07 -1.96 -2.29 114.58 118.56 2ww3 h GLU 721 Ca 0.28 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 59.00 2ww3 h GLU 721 Cb 0.53 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.45 2ww3 h GLU 721 CO -0.69 0.23 -0.53 -0.44 -1.40 0.00 0.00 179.01 176.18 2ww3 h ASP 722 N 0.00 0.50 -0.86 1.42 3.32 -1.43 -3.21 116.42 116.16 2ww3 h ASP 722 Ca -0.00 -0.74 0.06 0.00 0.02 0.00 0.00 57.03 56.36 2ww3 h ASP 722 Cb 0.55 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.89 2ww3 h ASP 722 CO 0.03 1.17 0.54 -0.07 -1.72 0.00 0.00 179.24 179.18 2ww3 h LEU 723 N -0.13 0.85 -1.68 1.55 3.38 -0.88 -2.26 115.31 116.15 2ww3 h LEU 723 Ca -0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2ww3 h LEU 723 Cb 1.23 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2ww3 h LEU 723 CO 0.10 0.56 0.00 -0.26 0.09 0.00 0.00 178.44 178.93 2ww3 h PHE 724 N 0.99 0.00 0.00 1.13 -1.00 -1.47 -1.46 116.94 115.13 2ww3 h PHE 724 Ca 0.37 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.15 2ww3 h PHE 724 Cb 0.13 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.69 2ww3 h PHE 724 CO -0.03 0.00 0.00 1.63 -1.61 0.00 0.00 178.31 178.30 2ww3 n LYS 725 N -2.74 0.25 -0.24 1.51 5.02 -0.85 -4.74 118.16 116.37 2ww3 n LYS 725 Ca -0.00 0.25 0.03 0.00 -2.02 0.00 0.00 58.31 56.57 2ww3 n LYS 725 Cb 0.18 -1.82 -0.01 0.00 -0.02 0.00 0.00 35.03 33.36 2ww3 n LYS 725 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ww3 n GLY 726 N 1.11 -2.14 0.00 0.72 0.00 -0.55 -4.86 105.19 99.48 2ww3 n GLY 726 Ca 0.05 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.63 2ww3 n GLY 726 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww3 n GLY 727 N -1.37 0.14 2.81 -0.02 0.00 -0.12 -4.92 105.19 101.71 2ww3 n GLY 727 Ca 0.00 -1.65 -0.15 0.00 0.00 0.00 0.00 46.02 44.22 2ww3 n GLY 727 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ww3 s THR 728 N -0.97 -0.07 -0.18 2.61 2.01 -1.26 -1.12 115.64 116.65 2ww3 s THR 728 Ca 0.00 0.23 -0.05 0.00 0.31 0.00 0.00 61.69 62.18 2ww3 s THR 728 Cb 0.00 -0.15 -0.03 0.00 0.01 0.00 0.00 72.50 72.33 2ww3 s THR 728 CO 0.00 0.10 0.01 -0.63 -0.69 0.00 0.00 174.62 173.41 2ww3 s ILE 729 N 1.27 4.22 -0.11 1.82 1.01 0.12 -0.23 121.20 129.31 2ww3 s ILE 729 Ca -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 2ww3 s ILE 729 Cb -0.12 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 2ww3 s ILE 729 CO -0.04 0.45 -0.06 -0.75 0.00 0.00 0.00 174.94 174.54 2ww3 s LYS 730 N 0.64 3.23 -0.21 2.79 2.47 0.12 -0.13 119.74 128.65 2ww3 s LYS 730 Ca 0.00 -0.54 0.00 0.00 -1.56 0.00 0.00 55.97 53.87 2ww3 s LYS 730 Cb -0.14 -2.75 0.05 0.00 -1.46 0.00 0.00 37.83 33.54 2ww3 s LYS 730 CO 0.02 0.44 -0.06 0.08 0.16 0.00 0.00 175.35 175.99 2ww3 s VAL 731 N -0.18 1.39 -0.40 4.02 1.01 0.14 -1.10 120.40 125.27 2ww3 s VAL 731 Ca 0.03 -0.99 -0.28 0.00 0.00 0.00 0.00 61.98 60.74 2ww3 s VAL 731 Cb -0.13 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.66 2ww3 s VAL 731 CO 0.03 0.00 1.04 -1.81 0.00 0.00 0.00 175.10 174.36 2ww3 s ASP 732 N 1.48 6.73 0.25 3.32 1.11 0.19 -4.26 116.67 125.49 2ww3 s ASP 732 Ca -0.03 0.65 -0.02 0.00 0.18 0.00 0.00 52.55 53.33 2ww3 s ASP 732 Cb -0.17 -2.52 -0.04 0.00 1.07 0.00 0.00 42.92 41.26 2ww3 s ASP 732 CO -0.07 -1.01 0.46 -0.04 1.18 0.00 0.00 175.17 175.69 2ww3 s MET 733 N 3.88 3.54 0.04 8.23 -1.94 -1.26 -0.38 119.30 131.41 2ww3 s MET 733 Ca 0.43 -0.26 -0.25 0.00 -1.71 0.00 0.00 55.69 53.91 2ww3 s MET 733 Cb -0.10 -2.76 0.06 0.00 2.01 0.00 0.00 34.83 34.04 2ww3 s MET 733 CO 0.23 0.31 0.59 0.45 -0.01 0.00 0.00 175.02 176.58 2ww3 s SER 734 N -3.32 -0.54 0.00 3.03 0.15 -0.34 -4.81 113.70 107.88 2ww3 s SER 734 Ca 0.40 0.31 0.29 0.00 0.70 0.00 0.00 55.95 57.65 2ww3 s SER 734 Cb -0.11 0.53 1.31 0.00 -1.71 0.00 0.00 66.02 66.05 2ww3 s SER 734 CO 0.30 -0.74 1.90 -0.46 1.20 0.00 0.00 173.24 175.44 2ww3 n ASN 735 N 0.40 0.75 -4.34 5.45 0.23 -1.26 -1.33 115.26 115.16 2ww3 n ASN 735 Ca -0.18 -1.04 -0.32 0.00 -0.53 0.00 0.00 54.58 52.50 2ww3 n ASN 735 Cb 0.60 -0.01 -0.15 0.00 -2.08 0.00 0.00 39.78 38.14 2ww3 n ASN 735 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2ww3 s ARG 736 N -2.18 2.77 0.44 -3.83 1.81 -1.26 -4.94 118.95 111.76 2ww3 s ARG 736 Ca 0.37 -0.80 -0.24 0.00 -1.72 0.00 0.00 55.73 53.34 2ww3 s ARG 736 Cb 0.21 -2.34 -0.08 0.00 -0.45 0.00 0.00 34.95 32.29 2ww3 s ARG 736 CO 0.40 0.39 1.22 -1.25 -0.68 0.00 0.00 175.30 175.39 2ww3 s PRO 737 N -0.16 3.81 -0.54 3.54 0.04 -1.26 -4.82 135.00 135.62 2ww3 s PRO 737 Ca -0.02 1.94 -0.17 0.00 0.04 0.00 0.00 61.00 62.79 2ww3 s PRO 737 Cb -0.14 -2.54 0.11 0.00 0.04 0.00 0.00 34.50 31.97 2ww3 s PRO 737 CO 0.04 -0.55 0.54 1.21 0.04 0.00 0.00 177.00 178.28 2ww3 s ASN 738 N -1.10 6.18 0.00 6.66 3.84 -1.26 -4.93 114.94 124.33 2ww3 s ASN 738 Ca 0.61 -1.56 0.15 0.00 0.21 0.00 0.00 52.86 52.27 2ww3 s ASN 738 Cb -0.33 -2.23 0.64 0.00 -0.55 0.00 0.00 41.25 38.78 2ww3 s ASN 738 CO 0.41 -0.89 1.47 0.18 -2.79 0.00 0.00 177.10 175.47 2ww3 n LEU 739 N 5.59 0.00 -0.06 3.21 4.32 -1.26 -3.16 117.00 125.64 2ww3 n LEU 739 Ca -0.12 0.48 -0.02 0.00 -0.02 0.00 0.00 56.01 56.33 2ww3 n LEU 739 Cb 0.42 -0.48 -0.14 0.00 -1.62 0.00 0.00 43.42 41.60 2ww3 n LEU 739 CO 0.54 -0.24 -0.93 0.59 -1.22 0.00 0.00 177.39 176.13 2ww3 n ASN 740 N -1.48 0.81 -4.70 -1.43 3.02 -1.26 -4.88 115.26 105.34 2ww3 n ASN 740 Ca 0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.17 2ww3 n ASN 740 Cb 0.17 1.26 -0.03 0.00 -0.61 0.00 0.00 39.78 40.56 2ww3 n ASN 740 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2ww3 s ARG 741 N -2.73 4.30 -0.14 3.52 3.52 -1.19 -3.50 118.95 122.74 2ww3 s ARG 741 Ca -0.08 2.00 0.00 0.00 -0.13 0.00 0.00 55.73 57.52 2ww3 s ARG 741 Cb 0.07 -3.46 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 2ww3 s ARG 741 CO 0.72 -0.52 0.00 0.41 -0.81 0.00 0.00 175.30 175.10 2ww3 n GLY 742 N 3.59 0.35 0.63 8.12 0.00 -1.24 -4.74 105.19 111.89 2ww3 n GLY 742 Ca 0.12 -0.87 0.11 0.00 0.00 0.00 0.00 46.02 45.39 2ww3 n GLY 742 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ww3 n THR 743 N -3.77 0.00 -3.34 2.61 -2.24 -1.23 -4.56 114.28 101.75 2ww3 n THR 743 Ca -0.02 -0.34 -0.30 0.00 -2.27 0.00 0.00 64.05 61.12 2ww3 n THR 743 Cb 0.41 1.33 -0.04 0.00 -2.10 0.00 0.00 70.33 69.93 2ww3 n THR 743 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ww3 s LYS 744 N -2.27 3.72 0.29 -0.78 1.02 -1.26 -4.84 119.74 115.63 2ww3 s LYS 744 Ca 0.21 0.17 -0.03 0.00 0.02 0.00 0.00 55.97 56.34 2ww3 s LYS 744 Cb 0.18 -2.63 0.41 0.00 -0.52 0.00 0.00 37.83 35.27 2ww3 s LYS 744 CO 0.47 0.24 1.95 1.49 -0.92 0.00 0.00 175.35 178.59 2ww3 h GLU 745 N 2.07 1.11 0.00 1.68 4.22 -1.98 0.12 114.58 121.80 2ww3 h GLU 745 Ca -0.47 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 58.89 2ww3 h GLU 745 Cb 1.18 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2ww3 h GLU 745 CO 0.67 0.75 0.00 1.05 -2.18 0.00 0.00 179.01 179.31 2ww3 h GLU 746 N 1.14 0.00 0.00 1.92 9.09 -2.00 -2.34 114.58 122.39 2ww3 h GLU 746 Ca 0.30 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.71 2ww3 h GLU 746 Cb -0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.00 2ww3 h GLU 746 CO -0.06 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.75 2ww3 n ASP 747 N -2.65 0.36 -4.80 3.06 8.00 0.40 -4.87 116.55 116.05 2ww3 n ASP 747 Ca 0.01 0.54 -0.35 0.00 0.71 0.00 0.00 54.79 55.69 2ww3 n ASP 747 Cb 0.23 -0.63 -0.07 0.00 -0.02 0.00 0.00 41.12 40.63 2ww3 n ASP 747 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2ww3 s MET 748 N -3.05 4.37 0.91 -1.24 -1.94 -0.88 -0.23 119.30 117.24 2ww3 s MET 748 Ca 0.12 1.13 -0.15 0.00 -1.71 0.00 0.00 55.69 55.08 2ww3 s MET 748 Cb 0.16 -2.58 0.22 0.00 2.01 0.00 0.00 34.83 34.64 2ww3 s MET 748 CO 0.55 0.19 1.06 -2.30 -0.01 0.00 0.00 175.02 174.51 2ww3 n PRO 749 N 0.11 -1.73 -1.77 2.03 -0.02 -1.26 -4.89 135.00 127.47 2ww3 n PRO 749 Ca 0.03 -1.66 -0.41 0.00 -2.02 0.00 0.00 63.50 59.44 2ww3 n PRO 749 Cb 0.52 -1.25 -0.01 0.00 -0.02 0.00 0.00 33.50 32.74 2ww3 n PRO 749 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2ww3 s TYR 750 N -3.20 2.67 -0.04 6.00 5.04 -1.26 -5.03 117.35 121.53 2ww3 s TYR 750 Ca 0.63 0.90 0.01 0.00 -2.44 0.00 0.00 57.07 56.17 2ww3 s TYR 750 Cb -0.03 -4.08 0.02 0.00 0.35 0.00 0.00 41.96 38.22 2ww3 s TYR 750 CO 0.46 -3.47 -0.04 -1.12 -1.34 0.00 0.00 175.55 170.04 2ww3 s SER 751 N 0.29 0.85 0.28 4.32 0.01 -1.26 -4.64 113.70 113.55 2ww3 s SER 751 Ca 0.60 -0.12 0.03 0.00 1.31 0.00 0.00 55.95 57.77 2ww3 s SER 751 Cb -0.48 -0.40 0.66 0.00 0.21 0.00 0.00 66.02 66.01 2ww3 s SER 751 CO 0.54 -0.05 1.75 0.15 0.41 0.00 0.00 173.24 176.04 2ww3 h PHE 752 N 7.08 0.83 0.00 2.43 3.57 -0.60 -0.35 116.94 129.90 2ww3 h PHE 752 Ca -0.38 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.15 2ww3 h PHE 752 Cb 1.15 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.66 2ww3 h PHE 752 CO 0.49 0.13 0.00 0.66 -2.23 0.00 0.00 178.31 177.36 2ww3 h SER 753 N 0.60 0.00 0.07 0.41 4.64 -1.92 -1.02 113.55 116.33 2ww3 h SER 753 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 2ww3 h SER 753 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2ww3 h SER 753 CO -0.42 0.00 -0.42 0.29 -0.87 0.00 0.00 176.83 175.41 2ww3 n LYS 754 N -2.53 1.06 0.00 4.77 5.02 -0.16 -5.07 118.16 121.25 2ww3 n LYS 754 Ca 0.01 -0.81 0.16 0.00 -2.02 0.00 0.00 58.31 55.64 2ww3 n LYS 754 Cb 0.23 -1.48 0.88 0.00 -0.02 0.00 0.00 35.03 34.63 2ww3 n LYS 754 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97