#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qwm s VAL 2 N 0.00 3.65 -0.27 3.17 -7.23 -1.26 -5.12 120.40 113.34 1qwm s VAL 2 Ca 0.00 -0.51 -0.03 0.00 -1.81 0.00 0.00 61.98 59.63 1qwm s VAL 2 Cb 0.00 -2.49 0.03 0.00 0.56 0.00 0.00 36.38 34.48 1qwm s VAL 2 CO 0.00 0.59 -0.02 0.20 -0.31 0.00 0.00 175.10 175.56 1qwm s ASN 3 N -0.84 4.62 -0.01 4.85 -0.87 -1.26 -5.08 114.94 116.35 1qwm s ASN 3 Ca 0.13 -0.91 0.01 0.00 -1.57 0.00 0.00 52.86 50.52 1qwm s ASN 3 Cb -0.11 -1.73 0.00 0.00 -0.02 0.00 0.00 41.25 39.40 1qwm s ASN 3 CO 0.02 -0.17 -0.04 -0.75 -2.57 0.00 0.00 177.10 173.59 1qwm s LYS 4 N 1.35 0.42 -0.06 -0.60 2.20 -1.26 -5.11 119.74 116.69 1qwm s LYS 4 Ca -0.00 -0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 55.17 1qwm s LYS 4 Cb -0.17 -0.43 -0.05 0.00 -1.51 0.00 0.00 37.83 35.67 1qwm s LYS 4 CO -0.02 0.06 1.49 -0.51 -0.36 0.00 0.00 175.35 176.00 1qwm s ASP 5 N 0.11 6.78 0.01 1.43 1.01 -1.26 -5.01 116.67 119.76 1qwm s ASP 5 Ca -0.01 2.09 -0.03 0.00 0.71 0.00 0.00 52.55 55.31 1qwm s ASP 5 Cb -0.04 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 1qwm s ASP 5 CO -0.00 -0.82 0.04 0.68 0.21 0.00 0.00 175.17 175.28 1qwm s VAL 6 N 3.33 0.10 -0.16 -1.27 -7.23 -1.26 -5.12 120.40 108.79 1qwm s VAL 6 Ca 0.66 -0.85 -0.29 0.00 -1.81 0.00 0.00 61.98 59.69 1qwm s VAL 6 Cb -0.30 -0.39 -0.02 0.00 0.56 0.00 0.00 36.38 36.23 1qwm s VAL 6 CO 0.25 -0.47 1.30 -0.54 -0.31 0.00 0.00 175.10 175.34 1qwm s LYS 7 N -1.54 4.21 0.05 4.82 1.02 -1.26 -4.99 119.74 122.05 1qwm s LYS 7 Ca -0.14 1.69 -0.30 0.00 0.02 0.00 0.00 55.97 57.23 1qwm s LYS 7 Cb -0.08 -3.79 -0.05 0.00 -0.52 0.00 0.00 37.83 33.39 1qwm s LYS 7 CO -0.00 -0.75 1.05 -1.14 -0.92 0.00 0.00 175.35 173.59 1qwm s GLN 8 N 3.59 4.55 0.28 1.68 0.74 -1.26 -5.02 119.66 124.22 1qwm s GLN 8 Ca 0.57 1.56 0.02 0.00 0.05 0.00 0.00 55.36 57.55 1qwm s GLN 8 Cb -0.22 -3.40 -0.04 0.00 1.10 0.00 0.00 33.01 30.45 1qwm s GLN 8 CO 0.16 -0.06 0.13 0.95 -0.55 0.00 0.00 175.29 175.93 1qwm s THR 9 N 0.75 0.38 1.01 -0.34 -4.23 -1.26 -1.23 115.64 110.72 1qwm s THR 9 Ca 0.53 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.89 1qwm s THR 9 Cb -0.25 -2.55 0.20 0.00 1.34 0.00 0.00 72.50 71.24 1qwm s THR 9 CO 0.29 0.00 1.16 0.42 -0.54 0.00 0.00 174.62 175.95 1qwm s THR 10 N -3.70 1.89 -1.06 3.99 -4.23 0.27 -4.77 115.64 108.03 1qwm s THR 10 Ca 0.37 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 60.97 1qwm s THR 10 Cb 0.06 -2.69 0.09 0.00 1.34 0.00 0.00 72.50 71.29 1qwm s THR 10 CO 0.16 0.00 1.27 0.00 -0.54 0.00 0.00 174.62 175.51 1qwm n ALA 11 N -4.10 1.43 -0.28 3.99 0.00 -1.26 -1.94 120.51 118.35 1qwm n ALA 11 Ca 0.10 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.59 1qwm n ALA 11 Cb 0.59 -1.14 0.24 0.00 0.00 0.00 0.00 19.45 19.14 1qwm n ALA 11 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1qwm n PHE 12 N -1.47 0.74 -0.76 0.00 3.01 -1.26 -4.97 117.46 112.75 1qwm n PHE 12 Ca 0.02 -0.50 0.00 0.00 1.01 0.00 0.00 57.45 57.98 1qwm n PHE 12 Cb 0.10 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 1qwm n PHE 12 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qwm n GLY 13 N 1.11 0.71 3.74 1.37 0.00 -0.82 -5.04 105.19 106.26 1qwm n GLY 13 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1qwm n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qwm s ALA 14 N -2.52 3.35 0.33 4.61 0.00 -1.26 -4.79 121.76 121.48 1qwm s ALA 14 Ca 0.00 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 1qwm s ALA 14 Cb 0.00 -3.05 -0.12 0.00 0.00 0.00 0.00 23.12 19.95 1qwm s ALA 14 CO 0.00 0.07 1.37 -2.30 0.00 0.00 0.00 175.76 174.90 1qwm n PRO 15 N 2.70 2.28 -2.93 0.00 -0.02 -1.26 -0.57 135.00 135.20 1qwm n PRO 15 Ca -0.02 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.85 1qwm n PRO 15 Cb 0.50 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 1qwm n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1qwm s VAL 16 N -0.85 4.90 -0.62 -1.45 1.01 -0.37 -4.75 120.40 118.28 1qwm s VAL 16 Ca 0.58 1.56 0.15 0.00 0.00 0.00 0.00 61.98 64.26 1qwm s VAL 16 Cb -0.55 -4.10 -0.17 0.00 0.00 0.00 0.00 36.38 31.55 1qwm s VAL 16 CO 0.60 0.04 0.59 -2.67 0.00 0.00 0.00 175.10 173.65 1qwm n TRP 17 N 5.21 0.00 -3.24 5.22 4.27 -1.26 -4.86 117.44 122.78 1qwm n TRP 17 Ca 0.03 0.00 -0.03 0.00 -3.89 0.00 0.00 57.50 53.62 1qwm n TRP 17 Cb 0.49 -0.04 -0.04 0.00 -1.36 0.00 0.00 31.31 30.36 1qwm n TRP 17 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1qwm s ASP 18 N -2.54 -0.54 -0.02 -0.67 -1.08 -1.26 -4.99 116.67 105.56 1qwm s ASP 18 Ca 0.04 0.17 0.18 0.00 -0.52 0.00 0.00 52.55 52.43 1qwm s ASP 18 Cb 0.11 1.57 0.56 0.00 -1.46 0.00 0.00 42.92 43.70 1qwm s ASP 18 CO 0.61 -0.31 1.46 -0.67 0.52 0.00 0.00 175.17 176.78 1qwm n ASP 19 N 5.39 3.50 0.00 -0.34 2.03 -1.26 -4.41 116.55 121.46 1qwm n ASP 19 Ca 0.00 -2.09 0.00 0.00 0.52 0.00 0.00 54.79 53.22 1qwm n ASP 19 Cb 0.51 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 1qwm n ASP 19 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1qwm n ASN 20 N 1.21 3.17 -3.88 1.67 3.02 -1.26 -5.06 115.26 114.14 1qwm n ASN 20 Ca 0.21 -0.07 -0.16 0.00 -0.03 0.00 0.00 54.58 54.53 1qwm n ASN 20 Cb 0.58 0.77 -0.15 0.00 -0.61 0.00 0.00 39.78 40.37 1qwm n ASN 20 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1qwm s ASN 21 N -1.41 0.48 0.94 6.41 0.01 -1.26 -5.15 114.94 114.95 1qwm s ASN 21 Ca 0.00 -0.06 -0.15 0.00 -0.71 0.00 0.00 52.86 51.95 1qwm s ASN 21 Cb 0.00 -0.17 0.19 0.00 0.41 0.00 0.00 41.25 41.67 1qwm s ASN 21 CO 0.00 -0.03 1.29 0.68 -1.51 0.00 0.00 177.10 177.53 1qwm s VAL 22 N 0.53 2.01 -0.12 1.60 -7.23 -1.26 -4.88 120.40 111.06 1qwm s VAL 22 Ca -0.06 -0.03 -0.22 0.00 -1.81 0.00 0.00 61.98 59.86 1qwm s VAL 22 Cb -0.09 -2.98 -0.03 0.00 0.56 0.00 0.00 36.38 33.85 1qwm s VAL 22 CO -0.01 0.00 0.67 -0.63 -0.31 0.00 0.00 175.10 174.83 1qwm s ILE 23 N -3.82 5.04 0.12 -0.62 -1.09 -1.26 -5.04 121.20 114.52 1qwm s ILE 23 Ca 0.73 1.35 0.00 0.00 -2.23 0.00 0.00 60.65 60.50 1qwm s ILE 23 Cb -0.04 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 1qwm s ILE 23 CO 0.52 0.20 -0.01 0.42 -1.23 0.00 0.00 174.94 174.84 1qwm s THR 24 N 1.21 0.43 -0.86 2.92 -4.23 -1.26 -0.60 115.64 113.25 1qwm s THR 24 Ca 0.34 -1.91 -0.19 0.00 -1.18 0.00 0.00 61.69 58.75 1qwm s THR 24 Cb -0.17 -1.86 0.13 0.00 1.34 0.00 0.00 72.50 71.94 1qwm s THR 24 CO 0.15 -0.68 1.03 0.00 -0.54 0.00 0.00 174.62 174.57 1qwm s ALA 25 N -3.81 3.44 0.00 3.99 0.00 -1.13 -4.83 121.76 119.43 1qwm s ALA 25 Ca 0.17 -2.70 0.00 0.00 0.00 0.00 0.00 51.96 49.43 1qwm s ALA 25 Cb 0.07 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1qwm s ALA 25 CO -0.02 -2.81 0.00 0.41 0.00 0.00 0.00 175.76 173.34 1qwm n GLY 26 N 5.26 -1.61 0.26 0.00 0.00 -1.26 -3.31 105.19 104.53 1qwm n GLY 26 Ca 0.17 -1.55 0.13 0.00 0.00 0.00 0.00 46.02 44.77 1qwm n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qwm h PRO 27 N 0.00 0.00 -0.05 1.61 0.13 -2.00 -2.32 132.00 129.37 1qwm h PRO 27 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1qwm h PRO 27 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1qwm h PRO 27 CO 0.00 0.12 0.00 0.54 -0.23 0.00 0.00 178.00 178.43 1qwm n ARG 28 N -3.55 2.59 -2.02 0.86 1.74 -1.26 -5.06 116.66 109.97 1qwm n ARG 28 Ca -0.01 -1.87 -0.28 0.00 -0.77 0.00 0.00 57.85 54.92 1qwm n ARG 28 Cb 0.25 -1.18 0.11 0.00 -1.02 0.00 0.00 32.46 30.62 1qwm n ARG 28 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1qwm s GLY 29 N -1.47 1.67 0.97 -0.13 0.00 -0.87 -5.04 107.32 102.45 1qwm s GLY 29 Ca 0.12 -0.91 -0.12 0.00 0.00 0.00 0.00 44.72 43.82 1qwm s GLY 29 CO 0.03 -0.36 1.09 2.56 0.00 0.00 0.00 173.10 176.41 1qwm s PRO 30 N -5.55 0.66 0.07 2.90 0.04 -1.26 -4.49 135.00 127.36 1qwm s PRO 30 Ca 0.65 0.93 -0.18 0.00 0.04 0.00 0.00 61.00 62.44 1qwm s PRO 30 Cb -0.09 -1.73 -0.07 0.00 0.04 0.00 0.00 34.50 32.65 1qwm s PRO 30 CO 0.49 -2.69 0.55 0.08 0.04 0.00 0.00 177.00 175.47 1qwm s VAL 31 N -2.77 4.78 -0.02 -0.36 1.01 -1.26 -2.82 120.40 118.95 1qwm s VAL 31 Ca 0.65 1.15 -0.15 0.00 0.00 0.00 0.00 61.98 63.63 1qwm s VAL 31 Cb -0.20 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 1qwm s VAL 31 CO 0.59 0.54 0.40 -0.76 0.00 0.00 0.00 175.10 175.87 1qwm s LEU 32 N -1.15 4.45 0.56 3.92 1.43 0.23 -4.97 118.68 123.15 1qwm s LEU 32 Ca 0.29 0.91 0.27 0.00 -1.03 0.00 0.00 54.13 54.57 1qwm s LEU 32 Cb -0.19 -2.56 1.48 0.00 0.03 0.00 0.00 46.19 44.95 1qwm s LEU 32 CO 0.18 0.29 1.98 0.25 0.23 0.00 0.00 176.35 179.29 1qwm h LEU 33 N 4.98 0.00 0.00 1.79 5.85 -1.96 -2.05 115.31 123.91 1qwm h LEU 33 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1qwm h LEU 33 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1qwm h LEU 33 CO 0.63 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.73 1qwm n GLN 34 N -4.05 0.61 -1.64 1.25 10.64 -1.26 -4.39 117.38 118.54 1qwm n GLN 34 Ca 0.08 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.84 1qwm n GLN 34 Cb 0.58 -1.12 -0.03 0.00 -0.86 0.00 0.00 30.24 28.81 1qwm n GLN 34 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1qwm n SER 35 N -0.62 3.41 0.17 2.61 7.64 -0.77 -4.76 113.62 121.28 1qwm n SER 35 Ca 0.04 -2.77 0.05 0.00 1.01 0.00 0.00 58.87 57.19 1qwm n SER 35 Cb 0.02 -1.47 0.16 0.00 -1.01 0.00 0.00 64.21 61.91 1qwm n SER 35 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1qwm h THR 36 N 4.57 0.79 -0.23 0.44 1.35 -1.90 -1.77 112.91 116.16 1qwm h THR 36 Ca 0.47 -1.87 -0.14 0.00 -0.55 0.00 0.00 66.41 64.32 1qwm h THR 36 Cb 0.71 2.21 -0.00 0.00 -1.73 0.00 0.00 68.15 69.34 1qwm h THR 36 CO 1.80 0.41 -0.39 -0.25 -0.25 0.00 0.00 175.52 176.84 1qwm h TRP 37 N 0.00 0.85 -0.43 4.73 -0.00 -1.97 -2.04 115.95 117.10 1qwm h TRP 37 Ca -0.00 -0.29 0.08 0.00 -0.00 0.00 0.00 58.89 58.67 1qwm h TRP 37 Cb 1.18 -0.16 -0.08 0.00 -0.00 0.00 0.00 29.16 30.10 1qwm h TRP 37 CO 0.00 1.06 -0.05 0.35 -0.00 0.00 0.00 178.44 179.81 1qwm h PHE 38 N 0.40 -0.11 -0.45 2.65 3.57 -1.85 0.14 116.94 121.29 1qwm h PHE 38 Ca 0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1qwm h PHE 38 Cb 0.99 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1qwm h PHE 38 CO 0.08 -0.13 0.22 -0.07 -2.23 0.00 0.00 178.31 176.18 1qwm h LEU 39 N 0.06 0.58 -0.18 0.59 3.38 -1.24 0.60 115.31 119.09 1qwm h LEU 39 Ca 0.21 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1qwm h LEU 39 Cb 0.32 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1qwm h LEU 39 CO -0.39 0.53 -0.02 -0.08 0.09 0.00 0.00 178.44 178.56 1qwm h GLU 40 N 0.58 0.33 -0.19 1.13 4.81 -0.76 0.11 114.58 120.59 1qwm h GLU 40 Ca 0.15 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1qwm h GLU 40 Cb 0.10 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1qwm h GLU 40 CO -0.02 0.57 0.12 -0.22 -0.73 0.00 0.00 179.01 178.73 1qwm h LYS 41 N 0.06 0.26 -0.26 1.92 3.64 -0.60 -0.41 116.57 121.18 1qwm h LYS 41 Ca 0.05 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.23 1qwm h LYS 41 Cb 0.43 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1qwm h LYS 41 CO 0.01 0.21 -0.55 -0.07 -2.27 0.00 0.00 179.45 176.78 1qwm h LEU 42 N 0.23 0.87 -1.35 5.20 -0.00 -0.89 -1.06 115.31 118.31 1qwm h LEU 42 Ca 0.07 -0.47 -0.04 0.00 -0.00 0.00 0.00 57.88 57.44 1qwm h LEU 42 Cb 0.02 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.41 1qwm h LEU 42 CO -0.01 1.25 0.01 0.00 -0.00 0.00 0.00 178.44 179.69 1qwm h ALA 43 N 0.77 1.47 -0.31 1.53 0.00 -0.66 0.17 119.26 122.24 1qwm h ALA 43 Ca 0.01 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1qwm h ALA 43 Cb 1.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1qwm h ALA 43 CO 0.12 0.38 -0.22 0.00 0.00 0.00 0.00 179.25 179.53 1qwm h ALA 44 N 1.59 0.44 -0.75 0.00 0.00 -0.98 -3.04 119.26 116.53 1qwm h ALA 44 Ca 0.10 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1qwm h ALA 44 Cb 0.27 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1qwm h ALA 44 CO 0.01 0.40 0.46 0.35 0.00 0.00 0.00 179.25 180.47 1qwm h PHE 45 N 0.45 0.85 0.00 0.00 3.57 -0.72 -1.39 116.94 119.70 1qwm h PHE 45 Ca 0.06 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1qwm h PHE 45 Cb 0.77 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1qwm h PHE 45 CO 0.07 0.46 0.00 -0.25 -2.23 0.00 0.00 178.31 176.36 1qwm n ASP 46 N -4.67 0.40 -0.18 0.41 10.43 0.56 -2.28 116.55 121.23 1qwm n ASP 46 Ca 0.09 0.65 0.08 0.00 2.57 0.00 0.00 54.79 58.18 1qwm n ASP 46 Cb 0.12 -0.72 0.13 0.00 1.84 0.00 0.00 41.12 42.50 1qwm n ASP 46 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1qwm n ARG 47 N -2.00 1.14 0.09 -1.24 1.74 -0.54 -4.77 116.66 111.08 1qwm n ARG 47 Ca 0.00 -2.44 0.00 0.00 -0.77 0.00 0.00 57.85 54.64 1qwm n ARG 47 Cb 0.10 -1.37 0.30 0.00 -1.02 0.00 0.00 32.46 30.47 1qwm n ARG 47 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1qwm h GLU 48 N 0.09 0.27 -6.12 5.56 5.08 -1.24 -3.44 114.58 114.78 1qwm h GLU 48 Ca -0.00 -0.09 -0.58 0.00 -1.00 0.00 0.00 59.36 57.68 1qwm h GLU 48 Cb 1.06 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 1qwm h GLU 48 CO 0.00 0.51 -0.09 1.03 -1.00 0.00 0.00 179.01 179.46 1qwm s ARG 49 N -4.48 4.14 0.33 2.33 1.81 -1.26 -5.08 118.95 116.73 1qwm s ARG 49 Ca -0.05 0.62 0.09 0.00 -1.72 0.00 0.00 55.73 54.67 1qwm s ARG 49 Cb 0.14 -3.25 -0.05 0.00 -0.45 0.00 0.00 34.95 31.34 1qwm s ARG 49 CO 0.75 0.60 0.01 0.96 -0.68 0.00 0.00 175.30 176.94 1qwm s ILE 50 N -0.91 2.76 0.28 1.52 -4.36 -1.26 -5.09 121.20 114.14 1qwm s ILE 50 Ca 0.27 -1.97 -0.30 0.00 -0.26 0.00 0.00 60.65 58.39 1qwm s ILE 50 Cb -0.18 -2.79 -0.13 0.00 1.25 0.00 0.00 42.46 40.62 1qwm s ILE 50 CO 0.17 -0.23 1.45 -2.65 0.24 0.00 0.00 174.94 173.91 1qwm n PRO 51 N -0.94 2.29 -1.50 0.37 -0.02 -1.26 -4.95 135.00 128.99 1qwm n PRO 51 Ca -0.04 0.81 -0.32 0.00 -2.02 0.00 0.00 63.50 61.93 1qwm n PRO 51 Cb 0.62 -2.50 0.07 0.00 -0.02 0.00 0.00 33.50 31.66 1qwm n PRO 51 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1qwm s GLU 52 N -0.73 2.59 0.34 -0.52 -1.05 -1.26 -4.97 118.70 113.10 1qwm s GLU 52 Ca 0.64 1.19 -0.27 0.00 -0.15 0.00 0.00 54.97 56.38 1qwm s GLU 52 Cb -0.58 -1.94 -0.13 0.00 -0.44 0.00 0.00 34.13 31.04 1qwm s GLU 52 CO 0.52 -1.39 1.02 0.54 0.95 0.00 0.00 175.26 176.90 1qwm n ARG 53 N -3.07 1.40 0.22 -4.83 1.74 -1.26 -4.86 116.66 106.00 1qwm n ARG 53 Ca 0.09 0.49 0.08 0.00 -0.77 0.00 0.00 57.85 57.74 1qwm n ARG 53 Cb 0.53 -1.93 0.53 0.00 -1.02 0.00 0.00 32.46 30.56 1qwm n ARG 53 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1qwm h VAL 54 N 1.86 0.91 -4.22 1.55 3.04 -1.98 -3.38 116.25 114.04 1qwm h VAL 54 Ca -0.42 -0.88 -0.13 0.00 -1.01 0.00 0.00 66.70 64.27 1qwm h VAL 54 Cb 1.34 1.51 -0.15 0.00 -2.01 0.00 0.00 31.29 31.98 1qwm h VAL 54 CO 0.59 0.23 -0.63 0.68 -1.01 0.00 0.00 177.57 177.43 1qwm s VAL 55 N -4.21 0.19 -1.44 1.51 -7.23 -1.26 -4.87 120.40 103.08 1qwm s VAL 55 Ca -0.03 -1.75 -0.02 0.00 -1.81 0.00 0.00 61.98 58.38 1qwm s VAL 55 Cb 0.14 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.48 1qwm s VAL 55 CO 0.66 -0.85 0.25 1.41 -0.31 0.00 0.00 175.10 176.25 1qwm n HIS 56 N 0.05 -1.24 0.22 2.82 -0.00 -0.29 -4.91 115.22 111.87 1qwm n HIS 56 Ca -0.12 0.21 0.05 0.00 -0.00 0.00 0.00 57.72 57.86 1qwm n HIS 56 Cb 0.62 -3.77 0.49 0.00 -0.00 0.00 0.00 29.99 27.33 1qwm n HIS 56 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1qwm h ALA 57 N 0.85 1.61 -2.74 -1.41 0.00 -1.73 -3.41 119.26 112.43 1qwm h ALA 57 Ca -0.44 -0.19 -0.66 0.00 0.00 0.00 0.00 54.91 53.62 1qwm h ALA 57 Cb 1.31 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.90 1qwm h ALA 57 CO 0.50 0.27 -0.40 0.21 0.00 0.00 0.00 179.25 179.82 1qwm s LYS 58 N -4.53 3.72 0.13 0.00 2.47 -1.26 -4.55 119.74 115.72 1qwm s LYS 58 Ca -0.04 -0.39 -0.10 0.00 -1.56 0.00 0.00 55.97 53.88 1qwm s LYS 58 Cb 0.15 -3.74 0.04 0.00 -1.46 0.00 0.00 37.83 32.81 1qwm s LYS 58 CO 0.70 -0.37 0.48 0.41 0.16 0.00 0.00 175.35 176.72 1qwm n GLY 59 N 4.99 1.14 3.13 5.54 0.00 -1.26 -1.78 105.19 116.95 1qwm n GLY 59 Ca -0.11 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 1qwm n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qwm s SER 60 N -2.17 -0.22 0.16 1.61 0.01 0.28 -4.97 113.70 108.39 1qwm s SER 60 Ca 0.10 0.40 0.06 0.00 1.31 0.00 0.00 55.95 57.83 1qwm s SER 60 Cb -0.02 0.46 -0.04 0.00 0.21 0.00 0.00 66.02 66.63 1qwm s SER 60 CO 0.04 -0.13 -0.13 -0.83 0.41 0.00 0.00 173.24 172.60 1qwm s GLY 61 N -0.08 1.21 0.03 3.44 0.00 -1.26 -0.37 107.32 110.28 1qwm s GLY 61 Ca -0.02 -1.49 -0.23 0.00 0.00 0.00 0.00 44.72 42.98 1qwm s GLY 61 CO 0.01 -1.58 0.53 0.00 0.00 0.00 0.00 173.10 172.06 1qwm s ALA 62 N -2.81 -1.35 0.23 3.20 0.00 -0.41 -4.51 121.76 116.12 1qwm s ALA 62 Ca 0.16 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1qwm s ALA 62 Cb -0.01 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 1qwm s ALA 62 CO 0.04 -0.47 0.41 0.71 0.00 0.00 0.00 175.76 176.45 1qwm s TYR 63 N -2.18 3.48 0.00 0.00 1.51 -0.14 -0.84 117.35 119.18 1qwm s TYR 63 Ca -0.07 0.29 0.00 0.00 -1.01 0.00 0.00 57.07 56.28 1qwm s TYR 63 Cb -0.01 -1.82 0.00 0.00 -0.11 0.00 0.00 41.96 40.02 1qwm s TYR 63 CO 0.00 0.35 0.00 0.41 -1.11 0.00 0.00 175.55 175.20 1qwm n GLY 64 N -0.94 2.49 2.93 0.71 0.00 -0.33 -0.66 105.19 109.38 1qwm n GLY 64 Ca -0.05 -0.90 -0.17 0.00 0.00 0.00 0.00 46.02 44.89 1qwm n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qwm s THR 65 N -2.99 0.45 -0.13 2.61 2.01 -0.01 -1.45 115.64 116.13 1qwm s THR 65 Ca 0.00 -0.17 -0.05 0.00 0.31 0.00 0.00 61.69 61.78 1qwm s THR 65 Cb 0.00 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 1qwm s THR 65 CO 0.00 0.16 0.04 0.12 -0.69 0.00 0.00 174.62 174.25 1qwm s PHE 66 N 0.33 3.24 -0.11 4.92 5.36 0.06 -1.31 117.98 130.48 1qwm s PHE 66 Ca -0.04 0.15 0.03 0.00 -0.96 0.00 0.00 56.93 56.11 1qwm s PHE 66 Cb -0.08 -1.93 0.01 0.00 -0.34 0.00 0.00 43.02 40.69 1qwm s PHE 66 CO -0.00 0.35 -0.19 0.99 -1.46 0.00 0.00 175.22 174.91 1qwm s THR 67 N -0.36 1.71 0.09 0.12 2.01 -0.16 -1.05 115.64 118.01 1qwm s THR 67 Ca 0.08 -0.79 -0.31 0.00 0.31 0.00 0.00 61.69 60.99 1qwm s THR 67 Cb -0.12 -1.52 -0.07 0.00 0.01 0.00 0.00 72.50 70.80 1qwm s THR 67 CO 0.02 0.48 1.28 -0.69 -0.69 0.00 0.00 174.62 175.02 1qwm s VAL 68 N 0.74 3.69 -0.03 3.82 1.01 -0.62 -0.84 120.40 128.17 1qwm s VAL 68 Ca -0.11 1.23 0.10 0.00 0.00 0.00 0.00 61.98 63.19 1qwm s VAL 68 Cb -0.16 -3.79 -0.14 0.00 0.00 0.00 0.00 36.38 32.29 1qwm s VAL 68 CO 0.02 0.10 0.17 0.35 0.00 0.00 0.00 175.10 175.74 1qwm n THR 69 N 3.82 0.17 -4.16 3.92 -2.24 0.01 -0.88 114.28 114.93 1qwm n THR 69 Ca 0.10 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 1qwm n THR 69 Cb 0.44 -0.01 -0.11 0.00 -2.10 0.00 0.00 70.33 68.56 1qwm n THR 69 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1qwm s LYS 70 N -2.57 0.80 -0.28 -0.78 -0.14 -0.91 -4.89 119.74 110.97 1qwm s LYS 70 Ca -0.04 -1.18 -0.19 0.00 -1.36 0.00 0.00 55.97 53.20 1qwm s LYS 70 Cb 0.05 -0.36 -0.02 0.00 -1.68 0.00 0.00 37.83 35.83 1qwm s LYS 70 CO 0.40 0.03 0.57 0.34 -0.76 0.00 0.00 175.35 175.94 1qwm s ASP 71 N -2.59 6.47 -0.09 2.83 2.15 -1.26 -4.85 116.67 119.33 1qwm s ASP 71 Ca 0.06 0.49 0.14 0.00 0.43 0.00 0.00 52.55 53.67 1qwm s ASP 71 Cb -0.00 -2.30 0.21 0.00 -0.30 0.00 0.00 42.92 40.52 1qwm s ASP 71 CO -0.02 -0.37 1.10 2.30 -0.17 0.00 0.00 175.17 178.01 1qwm n ILE 72 N 5.25 1.53 0.27 4.11 -5.35 -1.26 -4.80 119.36 119.10 1qwm n ILE 72 Ca -0.03 -1.80 0.14 0.00 -0.27 0.00 0.00 62.75 60.79 1qwm n ILE 72 Cb 0.49 -0.02 0.70 0.00 -1.74 0.00 0.00 39.64 39.06 1qwm n ILE 72 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1qwm h THR 73 N 0.70 0.00 0.00 7.28 1.35 -1.83 -0.30 112.91 120.10 1qwm h THR 73 Ca 0.00 -0.11 -0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1qwm h THR 73 Cb 0.95 0.80 -0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1qwm h THR 73 CO 0.00 0.00 -0.02 0.07 -0.25 0.00 0.00 175.52 175.32 1qwm h LYS 74 N 0.00 0.00 0.00 4.72 2.10 -2.00 -3.15 116.57 118.24 1qwm h LYS 74 Ca 0.00 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.49 1qwm h LYS 74 Cb 0.14 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.44 1qwm h LYS 74 CO 0.00 0.02 -1.78 0.66 -2.00 0.00 0.00 179.45 176.35 1qwm n TYR 75 N -3.45 0.00 -3.76 0.07 0.53 -0.15 -4.81 117.16 105.58 1qwm n TYR 75 Ca -0.03 0.00 -0.13 0.00 -1.02 0.00 0.00 57.90 56.72 1qwm n TYR 75 Cb 0.11 -0.52 -0.11 0.00 -1.03 0.00 0.00 39.34 37.79 1qwm n TYR 75 CO 0.00 0.00 0.00 -0.08 -1.02 0.00 0.00 176.86 175.76 1qwm s THR 76 N -2.49 0.00 -1.68 -0.72 -1.32 -1.07 -2.72 115.64 105.63 1qwm s THR 76 Ca -0.06 -0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.60 1qwm s THR 76 Cb 0.05 -0.45 0.58 0.00 -1.51 0.00 0.00 72.50 71.18 1qwm s THR 76 CO 0.52 -0.00 1.48 2.29 -2.21 0.00 0.00 174.62 176.70 1qwm n LYS 77 N 2.91 2.82 -1.85 7.08 2.85 -0.44 -4.25 118.16 127.27 1qwm n LYS 77 Ca -0.13 -2.34 -0.41 0.00 -1.05 0.00 0.00 58.31 54.38 1qwm n LYS 77 Cb 0.58 -1.62 -0.02 0.00 -0.65 0.00 0.00 35.03 33.32 1qwm n LYS 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qwm s ALA 78 N -1.42 3.71 0.36 0.58 0.00 -1.23 -4.75 121.76 119.01 1qwm s ALA 78 Ca 0.43 1.50 0.08 0.00 0.00 0.00 0.00 51.96 53.96 1qwm s ALA 78 Cb 0.24 -3.62 0.70 0.00 0.00 0.00 0.00 23.12 20.44 1qwm s ALA 78 CO 0.26 -0.91 1.88 0.87 0.00 0.00 0.00 175.76 177.86 1qwm h LYS 79 N 4.91 0.32 -0.39 0.00 1.79 -1.94 -1.69 116.57 119.58 1qwm h LYS 79 Ca -0.47 -0.08 0.11 0.00 -2.18 0.00 0.00 60.65 58.04 1qwm h LYS 79 Cb 1.22 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.81 1qwm h LYS 79 CO 0.79 0.45 0.32 0.97 -1.08 0.00 0.00 179.45 180.90 1qwm h ILE 80 N 0.30 0.61 -0.46 1.86 2.10 -1.94 -2.15 117.51 117.84 1qwm h ILE 80 Ca 0.06 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.00 1qwm h ILE 80 Cb 0.40 0.76 0.00 0.00 -1.09 0.00 0.00 36.82 36.89 1qwm h ILE 80 CO 0.02 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.58 1qwm n PHE 81 N -4.11 0.61 1.06 2.19 3.72 -0.64 -4.75 117.46 115.54 1qwm n PHE 81 Ca 0.06 -0.42 0.14 0.00 -0.05 0.00 0.00 57.45 57.18 1qwm n PHE 81 Cb 0.51 -0.01 0.63 0.00 -0.94 0.00 0.00 39.48 39.67 1qwm n PHE 81 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1qwm n SER 82 N 1.06 0.00 -3.72 4.37 3.41 -0.81 -4.64 113.62 113.29 1qwm n SER 82 Ca 0.17 0.38 -0.12 0.00 -0.26 0.00 0.00 58.87 59.03 1qwm n SER 82 Cb 0.51 -0.46 -0.10 0.00 -0.26 0.00 0.00 64.21 63.90 1qwm n SER 82 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1qwm s LYS 83 N -2.92 0.45 0.04 4.33 2.20 -1.26 -5.03 119.74 117.55 1qwm s LYS 83 Ca 0.16 0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 56.11 1qwm s LYS 83 Cb 0.19 0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.63 1qwm s LYS 83 CO 0.51 -0.09 1.02 0.08 -0.36 0.00 0.00 175.35 176.51 1qwm s VAL 84 N 0.56 4.62 0.00 4.02 1.01 -1.26 -2.19 120.40 127.17 1qwm s VAL 84 Ca -0.03 1.94 0.00 0.00 0.00 0.00 0.00 61.98 63.90 1qwm s VAL 84 Cb -0.04 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1qwm s VAL 84 CO -0.03 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1qwm n GLY 85 N 2.80 0.73 3.74 4.51 0.00 -0.06 -5.01 105.19 111.91 1qwm n GLY 85 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1qwm n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qwm s LYS 86 N -0.73 4.26 -0.08 1.61 2.20 -0.93 -4.66 119.74 121.41 1qwm s LYS 86 Ca 0.00 2.32 0.01 0.00 -0.36 0.00 0.00 55.97 57.94 1qwm s LYS 86 Cb 0.00 -3.11 -0.02 0.00 -1.51 0.00 0.00 37.83 33.18 1qwm s LYS 86 CO 0.00 -0.45 -0.10 0.15 -0.36 0.00 0.00 175.35 174.59 1qwm s LYS 87 N -0.23 2.91 -0.05 4.03 1.02 -1.26 -1.58 119.74 124.58 1qwm s LYS 87 Ca 0.60 -0.62 0.01 0.00 0.02 0.00 0.00 55.97 55.98 1qwm s LYS 87 Cb -0.42 -2.57 0.02 0.00 -0.52 0.00 0.00 37.83 34.34 1qwm s LYS 87 CO 0.42 0.51 -0.05 0.99 -0.92 0.00 0.00 175.35 176.30 1qwm s THR 88 N -0.40 0.56 0.53 2.17 2.01 -0.22 -4.97 115.64 115.31 1qwm s THR 88 Ca 0.05 -0.13 -0.21 0.00 0.31 0.00 0.00 61.69 61.71 1qwm s THR 88 Cb -0.12 -0.58 -0.06 0.00 0.01 0.00 0.00 72.50 71.75 1qwm s THR 88 CO 0.02 0.23 1.18 -0.70 -0.69 0.00 0.00 174.62 174.67 1qwm s GLU 89 N 0.93 3.38 0.15 4.92 2.12 -1.26 -0.76 118.70 128.18 1qwm s GLU 89 Ca -0.11 1.78 -0.08 0.00 0.36 0.00 0.00 54.97 56.93 1qwm s GLU 89 Cb -0.14 -2.15 -0.01 0.00 0.26 0.00 0.00 34.13 32.09 1qwm s GLU 89 CO 0.00 -0.87 0.24 0.00 -0.54 0.00 0.00 175.26 174.09 1qwm s PHE 91 N -3.96 0.45 0.07 0.00 5.36 -0.12 -1.19 117.98 118.59 1qwm s PHE 91 Ca 0.16 -0.06 0.07 0.00 -0.96 0.00 0.00 56.93 56.14 1qwm s PHE 91 Cb 0.04 -0.54 -0.04 0.00 -0.34 0.00 0.00 43.02 42.14 1qwm s PHE 91 CO -0.02 -0.18 -0.16 -0.06 -1.46 0.00 0.00 175.22 173.34 1qwm s PHE 92 N 1.25 2.60 -0.08 10.12 0.40 -0.02 -0.74 117.98 131.52 1qwm s PHE 92 Ca -0.06 -0.23 0.01 0.00 -0.60 0.00 0.00 56.93 56.05 1qwm s PHE 92 Cb -0.13 -1.44 0.02 0.00 0.51 0.00 0.00 43.02 41.97 1qwm s PHE 92 CO -0.02 0.32 -0.10 0.50 0.70 0.00 0.00 175.22 176.62 1qwm s ARG 93 N -1.72 1.58 0.09 0.44 3.52 -0.14 -1.28 118.95 121.43 1qwm s ARG 93 Ca 0.17 -0.34 0.04 0.00 -0.13 0.00 0.00 55.73 55.46 1qwm s ARG 93 Cb -0.11 -1.40 -0.04 0.00 -1.56 0.00 0.00 34.95 31.84 1qwm s ARG 93 CO 0.08 -0.06 0.07 -0.06 -0.81 0.00 0.00 175.30 174.52 1qwm s PHE 94 N 0.96 3.15 0.25 5.12 0.40 0.50 -1.21 117.98 127.15 1qwm s PHE 94 Ca -0.09 0.05 -0.22 0.00 -0.60 0.00 0.00 56.93 56.07 1qwm s PHE 94 Cb -0.15 -1.59 0.03 0.00 0.51 0.00 0.00 43.02 41.82 1qwm s PHE 94 CO 0.00 0.51 0.72 -1.54 0.70 0.00 0.00 175.22 175.62 1qwm s SER 95 N -2.44 -0.31 0.38 1.36 1.04 -1.09 -0.56 113.70 112.09 1qwm s SER 95 Ca 0.29 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1qwm s SER 95 Cb -0.12 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1qwm s SER 95 CO 0.21 -1.24 0.00 0.35 0.98 0.00 0.00 173.24 173.54 1qwm n THR 96 N -0.44 0.00 -0.00 2.02 -2.24 -0.73 -0.54 114.28 112.35 1qwm n THR 96 Ca -0.06 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.68 1qwm n THR 96 Cb 0.60 -1.50 -0.01 0.00 -2.10 0.00 0.00 70.33 67.32 1qwm n THR 96 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1qwm n VAL 97 N -1.13 0.91 0.04 2.28 0.31 -1.25 -3.82 118.33 115.66 1qwm n VAL 97 Ca 0.00 0.17 -0.13 0.00 -0.01 0.00 0.00 64.34 64.38 1qwm n VAL 97 Cb 0.00 -1.69 -0.14 0.00 -0.91 0.00 0.00 33.84 31.10 1qwm n VAL 97 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qwm h ALA 98 N -0.23 0.42 -2.48 3.52 0.00 -1.92 -0.75 119.26 117.83 1qwm h ALA 98 Ca -0.07 -1.16 -0.49 0.00 0.00 0.00 0.00 54.91 53.20 1qwm h ALA 98 Cb 0.60 0.24 0.06 0.00 0.00 0.00 0.00 17.79 18.68 1qwm h ALA 98 CO -0.04 1.28 0.41 0.20 0.00 0.00 0.00 179.25 181.10 1qwm s GLY 99 N -4.95 2.55 0.87 0.00 0.00 -1.26 -4.88 107.32 99.65 1qwm s GLY 99 Ca -0.06 0.72 -0.12 0.00 0.00 0.00 0.00 44.72 45.25 1qwm s GLY 99 CO 0.84 1.06 1.18 1.18 0.00 0.00 0.00 173.10 177.36 1qwm n GLU 100 N -1.24 -0.99 -1.79 2.90 4.71 -1.26 -4.03 120.64 118.94 1qwm n GLU 100 Ca 0.11 -2.05 -0.38 0.00 -0.01 0.00 0.00 57.16 54.82 1qwm n GLU 100 Cb 0.52 -1.15 0.04 0.00 -1.01 0.00 0.00 31.44 29.84 1qwm n GLU 100 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1qwm s ARG 101 N -5.56 3.04 0.00 3.49 0.52 -1.26 -1.33 118.95 117.84 1qwm s ARG 101 Ca 0.69 2.18 0.00 0.00 -0.52 0.00 0.00 55.73 58.08 1qwm s ARG 101 Cb -0.02 -2.18 0.00 0.00 0.52 0.00 0.00 34.95 33.27 1qwm s ARG 101 CO 0.48 -1.25 0.00 0.41 0.02 0.00 0.00 175.30 174.96 1qwm n GLY 102 N 0.74 3.09 3.75 -3.53 0.00 -1.26 -5.02 105.19 102.96 1qwm n GLY 102 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1qwm n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qwm s SER 103 N -0.40 3.15 0.33 1.61 1.04 -0.44 -5.00 113.70 113.99 1qwm s SER 103 Ca 0.00 1.00 -0.20 0.00 0.48 0.00 0.00 55.95 57.23 1qwm s SER 103 Cb 0.00 -1.58 -0.09 0.00 0.10 0.00 0.00 66.02 64.44 1qwm s SER 103 CO 0.00 -2.78 0.83 0.00 0.98 0.00 0.00 173.24 172.27 1qwm s ALA 104 N -3.19 3.25 0.17 5.32 0.00 -1.26 -4.85 121.76 121.19 1qwm s ALA 104 Ca 0.65 0.26 -0.07 0.00 0.00 0.00 0.00 51.96 52.79 1qwm s ALA 104 Cb -0.16 -2.96 0.04 0.00 0.00 0.00 0.00 23.12 20.04 1qwm s ALA 104 CO 0.55 0.25 1.49 -0.44 0.00 0.00 0.00 175.76 177.61 1qwm h ASP 105 N 2.62 0.83 -1.65 0.00 3.32 -0.99 -3.38 116.42 117.17 1qwm h ASP 105 Ca -0.48 -0.41 -0.77 0.00 0.02 0.00 0.00 57.03 55.40 1qwm h ASP 105 Cb 1.18 -0.24 -0.18 0.00 0.22 0.00 0.00 39.33 40.32 1qwm h ASP 105 CO 0.64 1.16 1.83 0.00 -1.72 0.00 0.00 179.24 181.15 1qwm n ALA 106 N -2.54 5.54 -2.45 3.45 0.00 -1.26 -4.91 120.51 118.35 1qwm n ALA 106 Ca -0.03 -4.39 -0.22 0.00 0.00 0.00 0.00 53.44 48.80 1qwm n ALA 106 Cb 0.57 -2.82 -0.10 0.00 0.00 0.00 0.00 19.45 17.10 1qwm n ALA 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1qwm s VAL 107 N -0.52 1.88 -0.29 0.00 -7.23 -1.26 -4.62 120.40 108.36 1qwm s VAL 107 Ca 0.40 -2.18 -0.23 0.00 -1.81 0.00 0.00 61.98 58.15 1qwm s VAL 107 Cb 0.10 -2.43 -0.00 0.00 0.56 0.00 0.00 36.38 34.61 1qwm s VAL 107 CO 0.01 -0.32 0.78 -0.60 -0.31 0.00 0.00 175.10 174.65 1qwm s ARG 108 N -3.67 4.01 -0.27 4.82 3.52 -1.26 -4.55 118.95 121.55 1qwm s ARG 108 Ca 0.29 0.64 -0.37 0.00 -0.13 0.00 0.00 55.73 56.16 1qwm s ARG 108 Cb 0.02 -3.71 0.16 0.00 -1.56 0.00 0.00 34.95 29.86 1qwm s ARG 108 CO 0.13 -0.63 1.35 0.34 -0.81 0.00 0.00 175.30 175.68 1qwm s ASP 109 N 1.56 -0.04 0.81 -2.12 3.68 -1.02 -5.04 116.67 114.51 1qwm s ASP 109 Ca 0.32 0.01 -0.11 0.00 2.13 0.00 0.00 52.55 54.89 1qwm s ASP 109 Cb -0.14 0.04 0.08 0.00 -1.45 0.00 0.00 42.92 41.44 1qwm s ASP 109 CO 0.11 -0.06 1.13 -2.84 0.13 0.00 0.00 175.17 173.64 1qwm s PRO 110 N -1.94 1.85 -0.08 4.34 0.02 -1.26 -4.73 135.00 133.19 1qwm s PRO 110 Ca 0.11 1.40 0.02 0.00 0.02 0.00 0.00 61.00 62.55 1qwm s PRO 110 Cb -0.01 -1.83 -0.02 0.00 0.02 0.00 0.00 34.50 32.66 1qwm s PRO 110 CO -0.03 -1.99 -0.15 1.03 -0.33 0.00 0.00 177.00 175.53 1qwm s ARG 111 N -4.61 2.87 0.54 5.54 1.81 -1.26 -3.81 118.95 120.04 1qwm s ARG 111 Ca 0.65 -0.71 -0.19 0.00 -1.72 0.00 0.00 55.73 53.76 1qwm s ARG 111 Cb -0.21 -2.46 -0.06 0.00 -0.45 0.00 0.00 34.95 31.77 1qwm s ARG 111 CO 0.54 0.43 1.12 0.20 -0.68 0.00 0.00 175.30 176.91 1qwm s GLY 112 N -0.24 2.60 -0.41 -3.53 0.00 0.30 -0.43 107.32 105.62 1qwm s GLY 112 Ca 0.01 0.79 0.08 0.00 0.00 0.00 0.00 44.72 45.60 1qwm s GLY 112 CO 0.03 1.15 0.62 0.33 0.00 0.00 0.00 173.10 175.23 1qwm n PHE 113 N -1.32 -0.93 -3.30 1.90 -0.00 0.41 -2.66 117.46 111.56 1qwm n PHE 113 Ca 0.11 -3.21 -0.38 0.00 -0.00 0.00 0.00 57.45 53.97 1qwm n PHE 113 Cb 0.51 0.05 -0.06 0.00 -0.00 0.00 0.00 39.48 39.98 1qwm n PHE 113 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1qwm s ALA 114 N -0.91 3.48 -0.05 3.13 0.00 -0.35 -1.23 121.76 125.84 1qwm s ALA 114 Ca 0.35 -0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.18 1qwm s ALA 114 Cb 0.20 -2.66 0.01 0.00 0.00 0.00 0.00 23.12 20.67 1qwm s ALA 114 CO -0.13 0.04 -0.11 -1.64 0.00 0.00 0.00 175.76 173.92 1qwm s MET 115 N 0.45 1.39 -0.19 0.00 -1.94 -0.04 -0.97 119.30 118.01 1qwm s MET 115 Ca 0.27 -0.38 0.01 0.00 -1.71 0.00 0.00 55.69 53.88 1qwm s MET 115 Cb -0.16 -1.21 0.04 0.00 2.01 0.00 0.00 34.83 35.51 1qwm s MET 115 CO 0.12 0.07 -0.12 0.21 -0.01 0.00 0.00 175.02 175.29 1qwm s LYS 116 N 0.45 2.15 -0.24 2.03 2.20 0.08 -0.29 119.74 126.12 1qwm s LYS 116 Ca -0.09 -0.80 -0.08 0.00 -0.36 0.00 0.00 55.97 54.64 1qwm s LYS 116 Cb -0.13 -2.37 -0.04 0.00 -1.51 0.00 0.00 37.83 33.78 1qwm s LYS 116 CO 0.02 -0.38 0.09 0.71 -0.36 0.00 0.00 175.35 175.43 1qwm s TYR 117 N 1.40 3.15 -1.18 4.03 1.51 0.46 -0.94 117.35 125.77 1qwm s TYR 117 Ca 0.00 -0.20 -0.17 0.00 -1.01 0.00 0.00 57.07 55.70 1qwm s TYR 117 Cb -0.15 -2.22 0.12 0.00 -0.11 0.00 0.00 41.96 39.60 1qwm s TYR 117 CO -0.09 -0.19 1.49 0.71 -1.11 0.00 0.00 175.55 176.36 1qwm s TYR 118 N 1.31 3.14 0.53 2.71 2.02 0.12 -0.62 117.35 126.56 1qwm s TYR 118 Ca 0.05 -1.76 -0.01 0.00 -0.37 0.00 0.00 57.07 54.99 1qwm s TYR 118 Cb -0.15 -4.48 0.02 0.00 -0.40 0.00 0.00 41.96 36.95 1qwm s TYR 118 CO 0.04 -1.59 0.76 0.95 -1.57 0.00 0.00 175.55 174.15 1qwm s THR 119 N 2.86 3.30 -0.96 -0.71 -4.23 -0.86 -4.50 115.64 110.54 1qwm s THR 119 Ca 0.45 -0.49 0.16 0.00 -1.18 0.00 0.00 61.69 60.63 1qwm s THR 119 Cb -0.01 -3.25 0.13 0.00 1.34 0.00 0.00 72.50 70.72 1qwm s THR 119 CO 0.00 -0.19 1.49 -1.84 -0.54 0.00 0.00 174.62 173.54 1qwm n GLU 120 N -2.31 0.02 -0.44 3.99 0.28 -1.26 -2.62 120.64 118.30 1qwm n GLU 120 Ca 0.05 0.26 0.07 0.00 -0.16 0.00 0.00 57.16 57.38 1qwm n GLU 120 Cb 0.59 -1.53 0.18 0.00 1.43 0.00 0.00 31.44 32.10 1qwm n GLU 120 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1qwm n GLU 121 N -1.56 1.40 0.00 3.44 1.02 -1.26 -4.81 120.64 118.88 1qwm n GLU 121 Ca 0.03 -2.97 0.00 0.00 -0.02 0.00 0.00 57.16 54.21 1qwm n GLU 121 Cb 0.18 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1qwm n GLU 121 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qwm n GLY 122 N -1.16 3.40 3.69 0.62 0.00 -1.08 -4.63 105.19 106.03 1qwm n GLY 122 Ca 0.17 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 1qwm n GLY 122 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qwm s ASN 123 N 0.00 7.10 -0.35 1.61 0.01 -1.26 -2.02 114.94 120.03 1qwm s ASN 123 Ca 0.00 1.74 -0.14 0.00 -0.71 0.00 0.00 52.86 53.74 1qwm s ASN 123 Cb 0.00 -2.56 -0.01 0.00 0.41 0.00 0.00 41.25 39.09 1qwm s ASN 123 CO 0.00 -0.55 0.32 0.86 -1.51 0.00 0.00 177.10 176.22 1qwm s TRP 124 N 2.18 3.22 -0.27 2.20 -0.00 0.21 -4.52 118.94 121.96 1qwm s TRP 124 Ca 0.54 -0.13 -0.12 0.00 -0.00 0.00 0.00 56.10 56.38 1qwm s TRP 124 Cb -0.23 -2.61 -0.05 0.00 -0.00 0.00 0.00 33.47 30.59 1qwm s TRP 124 CO 0.21 -0.43 0.23 -0.51 -0.00 0.00 0.00 176.95 176.45 1qwm s ASP 125 N 1.73 6.10 -0.35 5.86 -0.00 -0.35 -0.40 116.67 129.25 1qwm s ASP 125 Ca 0.09 0.09 -0.01 0.00 -0.00 0.00 0.00 52.55 52.73 1qwm s ASP 125 Cb -0.17 -2.14 0.09 0.00 -0.00 0.00 0.00 42.92 40.70 1qwm s ASP 125 CO 0.11 -0.06 0.09 -0.22 -0.00 0.00 0.00 175.17 175.09 1qwm s LEU 126 N 1.70 4.64 -0.93 1.23 2.96 0.60 -4.52 118.68 124.36 1qwm s LEU 126 Ca 0.09 -1.81 -0.13 0.00 -0.22 0.00 0.00 54.13 52.06 1qwm s LEU 126 Cb -0.16 -1.73 0.22 0.00 0.50 0.00 0.00 46.19 45.02 1qwm s LEU 126 CO 0.10 -0.40 0.93 -0.69 -1.32 0.00 0.00 176.35 174.97 1qwm s VAL 127 N 1.11 5.57 0.66 1.68 1.01 -1.26 -0.86 120.40 128.31 1qwm s VAL 127 Ca 0.04 -2.60 0.04 0.00 0.00 0.00 0.00 61.98 59.46 1qwm s VAL 127 Cb -0.21 -4.57 0.11 0.00 0.00 0.00 0.00 36.38 31.72 1qwm s VAL 127 CO -0.04 -1.16 0.91 -0.83 0.00 0.00 0.00 175.10 173.97 1qwm s GLY 128 N 2.18 1.74 0.29 4.51 0.00 -0.37 -4.93 107.32 110.76 1qwm s GLY 128 Ca 0.24 -1.95 0.03 0.00 0.00 0.00 0.00 44.72 43.04 1qwm s GLY 128 CO -0.08 -1.42 0.15 -1.31 0.00 0.00 0.00 173.10 170.44 1qwm s ASN 129 N -4.72 1.44 -0.16 1.64 0.01 -0.84 -0.44 114.94 111.86 1qwm s ASN 129 Ca 0.65 -1.54 0.04 0.00 -0.71 0.00 0.00 52.86 51.30 1qwm s ASN 129 Cb -0.05 0.37 0.34 0.00 0.41 0.00 0.00 41.25 42.31 1qwm s ASN 129 CO 0.42 -0.87 1.24 -0.46 -1.51 0.00 0.00 177.10 175.92 1qwm n ASN 130 N -0.86 3.25 -3.94 -1.22 6.94 0.43 -0.48 115.26 119.38 1qwm n ASN 130 Ca 0.01 -2.57 -0.10 0.00 -0.02 0.00 0.00 54.58 51.90 1qwm n ASN 130 Cb 0.65 -0.62 -0.11 0.00 -2.36 0.00 0.00 39.78 37.34 1qwm n ASN 130 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1qwm s THR 131 N -1.65 0.09 -1.00 5.53 -1.32 -1.26 -4.74 115.64 111.29 1qwm s THR 131 Ca 0.25 -0.73 0.28 0.00 -1.21 0.00 0.00 61.69 60.29 1qwm s THR 131 Cb 0.20 -0.27 0.24 0.00 -1.51 0.00 0.00 72.50 71.16 1qwm s THR 131 CO 0.06 -0.40 1.91 -0.81 -2.21 0.00 0.00 174.62 173.17 1qwm n PRO 132 N 1.77 0.00 -4.45 7.08 -0.04 -1.26 -4.56 135.00 133.54 1qwm n PRO 132 Ca -0.22 0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.03 1qwm n PRO 132 Cb 0.56 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 1qwm n PRO 132 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1qwm s VAL 133 N -3.00 1.27 0.33 0.52 -7.23 -1.26 -4.36 120.40 106.67 1qwm s VAL 133 Ca 0.14 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 58.33 1qwm s VAL 133 Cb 0.19 -2.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 1qwm s VAL 133 CO 0.52 -0.05 0.15 0.12 -0.31 0.00 0.00 175.10 175.53 1qwm s PHE 134 N -3.24 1.69 -0.37 2.82 2.19 0.04 -4.92 117.98 116.18 1qwm s PHE 134 Ca 0.35 -1.33 0.25 0.00 0.33 0.00 0.00 56.93 56.53 1qwm s PHE 134 Cb 0.08 -0.96 0.50 0.00 -1.31 0.00 0.00 43.02 41.33 1qwm s PHE 134 CO 0.15 -0.44 1.67 0.74 1.83 0.00 0.00 175.22 179.17 1qwm h PHE 135 N 2.09 0.00 -4.13 10.12 -1.00 -1.88 -3.39 116.94 118.75 1qwm h PHE 135 Ca -0.34 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.23 1qwm h PHE 135 Cb 1.25 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 40.67 1qwm h PHE 135 CO 1.15 0.00 -0.66 0.96 -1.61 0.00 0.00 178.31 178.15 1qwm s ILE 136 N -3.27 0.36 0.00 -0.55 -4.36 -1.26 -3.10 121.20 109.01 1qwm s ILE 136 Ca 0.06 -1.92 0.00 0.00 -0.26 0.00 0.00 60.65 58.53 1qwm s ILE 136 Cb 0.06 -1.95 0.00 0.00 1.25 0.00 0.00 42.46 41.82 1qwm s ILE 136 CO 0.65 -0.59 0.46 -2.11 0.24 0.00 0.00 174.94 173.59 1qwm n ARG 137 N -0.10 0.29 -4.36 0.37 1.85 -1.26 -4.55 116.66 108.90 1qwm n ARG 137 Ca -0.08 -0.57 -0.24 0.00 -1.00 0.00 0.00 57.85 55.97 1qwm n ARG 137 Cb 0.63 -0.77 -0.17 0.00 -1.05 0.00 0.00 32.46 31.10 1qwm n ARG 137 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1qwm s ASP 138 N -0.21 1.60 0.60 2.89 3.68 -1.26 -3.77 116.67 120.21 1qwm s ASP 138 Ca 0.00 -0.25 0.34 0.00 2.13 0.00 0.00 52.55 54.78 1qwm s ASP 138 Cb 0.00 -0.72 1.92 0.00 -1.45 0.00 0.00 42.92 42.67 1qwm s ASP 138 CO 0.00 -0.02 2.24 0.00 0.13 0.00 0.00 175.17 177.52 1qwm h ALA 139 N 7.23 1.27 -0.02 3.66 0.00 -1.84 -2.13 119.26 127.42 1qwm h ALA 139 Ca -0.32 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1qwm h ALA 139 Cb 1.17 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1qwm h ALA 139 CO 0.46 0.03 0.03 0.97 0.00 0.00 0.00 179.25 180.75 1qwm h ILE 140 N 0.00 0.37 -0.00 0.00 2.10 -1.96 -1.01 117.51 117.00 1qwm h ILE 140 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1qwm h ILE 140 Cb 0.10 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 36.81 1qwm h ILE 140 CO 0.00 0.00 -0.07 0.29 -1.08 0.00 0.00 178.15 177.29 1qwm n LYS 141 N -3.61 0.33 -0.08 2.19 4.76 -0.80 -4.38 118.16 116.56 1qwm n LYS 141 Ca -0.02 -0.06 -0.08 0.00 -2.87 0.00 0.00 58.31 55.28 1qwm n LYS 141 Cb 0.12 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.80 1qwm n LYS 141 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1qwm h PHE 142 N 0.13 0.20 -0.53 2.13 3.04 -1.34 -0.84 116.94 119.73 1qwm h PHE 142 Ca 0.00 0.01 0.02 0.00 3.98 0.00 0.00 57.97 61.99 1qwm h PHE 142 Cb 0.38 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 38.82 1qwm h PHE 142 CO 0.00 0.09 0.35 -1.35 -2.02 0.00 0.00 178.31 175.38 1qwm h PRO 143 N 0.24 0.62 -0.10 6.41 0.11 -1.80 -0.49 132.00 136.99 1qwm h PRO 143 Ca 0.13 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 1qwm h PRO 143 Cb 0.09 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 1qwm h PRO 143 CO -0.12 0.41 -0.02 -0.44 -0.21 0.00 0.00 178.00 177.62 1qwm h ASP 144 N 0.64 0.19 -0.16 -2.05 3.32 -1.64 0.62 116.42 117.34 1qwm h ASP 144 Ca 0.21 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 1qwm h ASP 144 Cb 0.04 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1qwm h ASP 144 CO -0.05 0.49 0.09 0.15 -1.72 0.00 0.00 179.24 178.20 1qwm h PHE 145 N -0.12 0.23 -0.75 4.55 3.04 -0.87 -2.32 116.94 120.69 1qwm h PHE 145 Ca 0.03 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.93 1qwm h PHE 145 Cb 0.41 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 38.81 1qwm h PHE 145 CO 0.05 0.23 0.32 0.82 -2.02 0.00 0.00 178.31 177.71 1qwm h ILE 146 N 0.16 1.25 -0.79 1.41 1.08 -1.06 -1.98 117.51 117.58 1qwm h ILE 146 Ca 0.06 -0.75 0.12 0.00 -0.39 0.00 0.00 64.86 63.89 1qwm h ILE 146 Cb 0.08 0.35 -0.08 0.00 -3.07 0.00 0.00 36.82 34.10 1qwm h ILE 146 CO -0.01 0.31 0.40 0.45 -0.69 0.00 0.00 178.15 178.61 1qwm h HIS 147 N 1.07 0.72 0.00 1.37 3.86 -0.65 -1.82 115.15 119.70 1qwm h HIS 147 Ca 0.25 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.46 1qwm h HIS 147 Cb 0.18 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.44 1qwm h HIS 147 CO 0.01 0.22 -0.16 1.79 0.86 0.00 0.00 177.93 180.66 1qwm h THR 148 N 0.64 0.41 0.00 2.45 1.35 -0.81 -2.90 112.91 114.04 1qwm h THR 148 Ca 0.41 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1qwm h THR 148 Cb 0.49 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1qwm h THR 148 CO -0.31 0.16 -0.42 1.56 -0.25 0.00 0.00 175.52 176.26 1qwm h GLN 149 N 0.00 0.00 0.00 4.72 1.08 -0.92 -3.31 115.11 116.67 1qwm h GLN 149 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1qwm h GLN 149 Cb 0.67 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 1qwm h GLN 149 CO 0.02 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.53 1qwm n LYS 150 N -2.51 3.33 -3.71 1.46 5.02 -0.79 -4.92 118.16 116.04 1qwm n LYS 150 Ca 0.03 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.97 1qwm n LYS 150 Cb 0.48 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.44 1qwm n LYS 150 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1qwm s ARG 151 N 4.46 3.63 0.14 1.97 0.52 -1.26 -4.30 118.95 124.11 1qwm s ARG 151 Ca 0.00 0.01 -0.35 0.00 -0.52 0.00 0.00 55.73 54.87 1qwm s ARG 151 Cb 0.00 -3.08 -0.15 0.00 0.52 0.00 0.00 34.95 32.24 1qwm s ARG 151 CO 0.00 0.64 1.39 -3.47 0.02 0.00 0.00 175.30 173.89 1qwm n ASP 152 N 1.19 2.16 0.28 0.23 -0.08 0.07 -4.84 116.55 115.55 1qwm n ASP 152 Ca -0.11 1.11 0.18 0.00 -1.51 0.00 0.00 54.79 54.47 1qwm n ASP 152 Cb 0.53 -1.29 0.86 0.00 2.34 0.00 0.00 41.12 43.55 1qwm n ASP 152 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1qwm h PRO 153 N 4.75 0.00 0.00 -0.67 0.13 -1.95 0.48 132.00 134.74 1qwm h PRO 153 Ca -0.46 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 1qwm h PRO 153 Cb 1.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 1qwm h PRO 153 CO 0.80 0.00 -1.14 0.94 -0.23 0.00 0.00 178.00 178.37 1qwm n GLN 154 N -2.96 0.52 0.11 0.86 7.27 -1.26 -4.65 117.38 117.27 1qwm n GLN 154 Ca -0.01 0.41 0.12 0.00 0.07 0.00 0.00 57.00 57.59 1qwm n GLN 154 Cb 0.20 -1.60 0.20 0.00 2.41 0.00 0.00 30.24 31.44 1qwm n GLN 154 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1qwm h THR 155 N -1.00 0.00 -1.69 1.69 1.35 -1.95 -3.47 112.91 107.84 1qwm h THR 155 Ca -0.19 -0.67 -0.35 0.00 -0.55 0.00 0.00 66.41 64.65 1qwm h THR 155 Cb 0.99 1.42 -0.07 0.00 -1.73 0.00 0.00 68.15 68.75 1qwm h THR 155 CO -0.12 0.00 -0.38 -3.20 -0.25 0.00 0.00 175.52 171.57 1qwm n ASN 156 N -2.43 -5.05 -4.57 5.36 5.15 0.16 -4.96 115.26 108.91 1qwm n ASN 156 Ca 0.03 0.19 -0.29 0.00 -0.60 0.00 0.00 54.58 53.91 1qwm n ASN 156 Cb 0.47 -4.11 -0.10 0.00 -0.53 0.00 0.00 39.78 35.52 1qwm n ASN 156 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1qwm s LEU 157 N -4.45 3.00 0.53 1.20 1.43 -1.26 -4.74 118.68 114.39 1qwm s LEU 157 Ca 0.00 -0.44 -0.22 0.00 -1.03 0.00 0.00 54.13 52.44 1qwm s LEU 157 Cb 0.00 -1.78 -0.06 0.00 0.03 0.00 0.00 46.19 44.38 1qwm s LEU 157 CO 0.00 0.16 1.22 -2.65 0.23 0.00 0.00 176.35 175.31 1qwm n PRO 158 N 0.56 1.48 -3.73 1.29 -0.02 -1.26 -0.75 135.00 132.57 1qwm n PRO 158 Ca -0.13 0.55 -0.28 0.00 -2.02 0.00 0.00 63.50 61.61 1qwm n PRO 158 Cb 0.53 -2.40 -0.16 0.00 -0.02 0.00 0.00 33.50 31.45 1qwm n PRO 158 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1qwm s ASN 159 N -0.94 3.19 0.43 2.55 3.84 -1.26 -4.84 114.94 117.92 1qwm s ASN 159 Ca 0.71 -1.02 0.14 0.00 0.21 0.00 0.00 52.86 52.90 1qwm s ASN 159 Cb -0.44 -0.65 0.94 0.00 -0.55 0.00 0.00 41.25 40.55 1qwm s ASN 159 CO 0.50 -0.33 1.96 0.45 -2.79 0.00 0.00 177.10 176.89 1qwm h HIS 160 N 8.22 0.00 -0.79 0.43 3.86 -1.92 -2.52 115.15 122.43 1qwm h HIS 160 Ca -0.16 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.06 1qwm h HIS 160 Cb 1.09 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.52 1qwm h HIS 160 CO 0.31 0.22 0.52 -0.44 0.86 0.00 0.00 177.93 179.40 1qwm h ASP 161 N 0.00 0.89 -0.31 2.45 3.45 -1.95 -1.80 116.42 119.16 1qwm h ASP 161 Ca -0.00 -0.02 -0.04 0.00 0.43 0.00 0.00 57.03 57.39 1qwm h ASP 161 Cb 0.40 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.94 1qwm h ASP 161 CO 0.03 0.64 0.03 0.24 -1.57 0.00 0.00 179.24 178.61 1qwm h MET 162 N 1.06 0.53 -0.10 3.56 2.86 -1.77 0.16 114.93 121.22 1qwm h MET 162 Ca 0.29 -0.15 0.04 0.00 -2.06 0.00 0.00 59.70 57.82 1qwm h MET 162 Cb -0.10 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.46 1qwm h MET 162 CO -0.07 0.64 -0.16 0.28 1.06 0.00 0.00 176.91 178.67 1qwm h VAL 163 N 0.34 0.59 0.00 -2.22 2.07 -1.22 -2.02 116.25 113.79 1qwm h VAL 163 Ca 0.09 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.46 1qwm h VAL 163 Cb 0.39 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1qwm h VAL 163 CO 0.01 0.00 -1.02 -0.50 0.02 0.00 0.00 177.57 176.08 1qwm h TRP 164 N -0.21 0.00 -0.38 1.57 4.06 -1.31 -2.44 115.95 117.24 1qwm h TRP 164 Ca 0.09 0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.09 1qwm h TRP 164 Cb 0.33 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.44 1qwm h TRP 164 CO -0.26 0.58 0.08 0.22 -3.56 0.00 0.00 178.44 175.50 1qwm h ASP 165 N 0.00 0.01 0.21 -3.49 3.58 -0.55 0.38 116.42 116.57 1qwm h ASP 165 Ca -0.09 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 1qwm h ASP 165 Cb 1.52 0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.66 1qwm h ASP 165 CO 0.06 0.04 -0.10 0.15 -2.88 0.00 0.00 179.24 176.51 1qwm h PHE 166 N 0.20 -0.26 -0.82 0.28 3.04 -1.35 -2.75 116.94 115.29 1qwm h PHE 166 Ca 0.18 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.15 1qwm h PHE 166 Cb 0.22 0.09 -0.04 0.00 2.56 0.00 0.00 35.95 38.77 1qwm h PHE 166 CO -0.19 0.07 0.54 -1.49 -2.02 0.00 0.00 178.31 175.22 1qwm h TRP 167 N -0.63 1.01 0.00 0.41 6.55 -1.38 -1.53 115.95 120.38 1qwm h TRP 167 Ca -0.03 0.02 -0.07 0.00 0.95 0.00 0.00 58.89 59.77 1qwm h TRP 167 Cb 0.45 -0.34 -0.01 0.00 -0.86 0.00 0.00 29.16 28.40 1qwm h TRP 167 CO 0.03 0.61 -0.33 0.66 -1.05 0.00 0.00 178.44 178.36 1qwm h SER 168 N 1.07 0.00 0.06 -3.49 4.64 -0.92 -2.60 113.55 112.30 1qwm h SER 168 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1qwm h SER 168 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1qwm h SER 168 CO -0.08 0.33 -0.18 0.59 -0.87 0.00 0.00 176.83 176.62 1qwm n ASN 169 N -3.66 1.73 -3.38 4.97 3.02 -0.70 -4.50 115.26 112.73 1qwm n ASN 169 Ca -0.01 -1.40 -0.26 0.00 -0.03 0.00 0.00 54.58 52.88 1qwm n ASN 169 Cb 0.44 0.14 -0.09 0.00 -0.61 0.00 0.00 39.78 39.66 1qwm n ASN 169 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1qwm n VAL 170 N 0.09 -0.12 0.29 2.41 0.31 -0.66 -4.99 118.33 115.66 1qwm n VAL 170 Ca 0.14 -4.11 0.18 0.00 -0.01 0.00 0.00 64.34 60.54 1qwm n VAL 170 Cb 0.42 -1.91 0.86 0.00 -0.91 0.00 0.00 33.84 32.31 1qwm n VAL 170 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1qwm h PRO 171 N 4.73 0.00 0.00 5.55 0.13 -1.79 -1.09 132.00 139.52 1qwm h PRO 171 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1qwm h PRO 171 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1qwm h PRO 171 CO 0.52 0.03 0.05 1.05 -0.23 0.00 0.00 178.00 179.42 1qwm h GLU 172 N 0.00 0.00 0.00 0.86 9.09 -1.88 -1.29 114.58 121.36 1qwm h GLU 172 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1qwm h GLU 172 Cb 0.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.42 1qwm h GLU 172 CO 0.00 0.00 0.00 -1.13 0.05 0.00 0.00 179.01 177.93 1qwm n SER 173 N -2.67 0.00 -0.36 3.06 3.41 -0.41 -4.05 113.62 112.61 1qwm n SER 173 Ca -0.02 0.43 0.01 0.00 -0.26 0.00 0.00 58.87 59.03 1qwm n SER 173 Cb 0.10 -0.46 0.15 0.00 -0.26 0.00 0.00 64.21 63.73 1qwm n SER 173 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1qwm h LEU 174 N 0.00 1.02 0.36 1.04 5.85 -1.46 -0.37 115.31 121.75 1qwm h LEU 174 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1qwm h LEU 174 Cb 0.20 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1qwm h LEU 174 CO 0.00 0.68 -0.17 0.22 -0.34 0.00 0.00 178.44 178.82 1qwm h TYR 175 N 1.18 -0.45 0.00 1.25 5.03 -1.83 0.66 116.97 122.81 1qwm h TYR 175 Ca 0.40 -0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.59 1qwm h TYR 175 Cb 0.08 0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.49 1qwm h TYR 175 CO -0.01 -0.28 -0.53 0.37 -1.32 0.00 0.00 178.16 176.39 1qwm h GLN 176 N -0.49 0.00 -0.50 1.82 5.75 -1.67 0.08 115.11 120.09 1qwm h GLN 176 Ca -0.05 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1qwm h GLN 176 Cb 0.37 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.90 1qwm h GLN 176 CO 0.08 0.53 0.32 0.28 -2.65 0.00 0.00 178.83 177.39 1qwm h VAL 177 N 0.00 1.10 -0.61 2.39 2.07 -0.82 0.17 116.25 120.54 1qwm h VAL 177 Ca -0.01 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 1qwm h VAL 177 Cb 0.96 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1qwm h VAL 177 CO 0.07 0.12 0.02 0.74 0.02 0.00 0.00 177.57 178.54 1qwm h THR 178 N 0.65 1.26 0.08 2.57 2.02 -0.14 -0.77 112.91 118.59 1qwm h THR 178 Ca 0.19 -1.12 -0.00 0.00 0.77 0.00 0.00 66.41 66.25 1qwm h THR 178 Cb -0.04 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1qwm h THR 178 CO -0.06 0.41 -0.04 -0.25 0.37 0.00 0.00 175.52 175.95 1qwm h TRP 179 N 0.97 -0.11 0.00 3.16 2.91 -0.76 -1.92 115.95 120.20 1qwm h TRP 179 Ca 0.18 -0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.16 1qwm h TRP 179 Cb 0.52 0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.20 1qwm h TRP 179 CO 0.04 0.12 -0.18 -0.24 -1.03 0.00 0.00 178.44 177.15 1qwm h VAL 180 N -0.32 0.49 -0.01 2.65 3.04 -0.52 -2.43 116.25 119.16 1qwm h VAL 180 Ca -0.01 -0.91 0.00 0.00 -1.01 0.00 0.00 66.70 64.77 1qwm h VAL 180 Cb 0.27 1.63 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 1qwm h VAL 180 CO 0.02 0.17 -0.31 0.23 -1.01 0.00 0.00 177.57 176.68 1qwm n MET 181 N -3.41 0.81 -0.25 4.17 2.81 -0.31 -3.62 117.12 117.33 1qwm n MET 181 Ca -0.00 -0.51 0.00 0.00 -1.81 0.00 0.00 57.70 55.38 1qwm n MET 181 Cb 0.37 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 1qwm n MET 181 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1qwm n SER 182 N -0.65 0.00 0.30 7.83 3.41 -0.73 -4.42 113.62 119.35 1qwm n SER 182 Ca 0.11 -0.85 0.18 0.00 -0.26 0.00 0.00 58.87 58.05 1qwm n SER 182 Cb 0.36 0.00 0.90 0.00 -0.26 0.00 0.00 64.21 65.21 1qwm n SER 182 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1qwm h ASP 183 N 0.00 0.00 0.15 4.04 3.32 -1.88 -1.95 116.42 120.09 1qwm h ASP 183 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qwm h ASP 183 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1qwm h ASP 183 CO 0.00 0.04 -0.02 0.03 -1.72 0.00 0.00 179.24 177.57 1qwm h ARG 184 N 0.00 0.00 -0.30 3.56 2.47 -1.89 -3.17 114.38 115.05 1qwm h ARG 184 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1qwm h ARG 184 Cb 0.26 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 1qwm h ARG 184 CO 0.00 0.02 0.19 0.78 0.56 0.00 0.00 179.97 181.53 1qwm h GLY 185 N 0.31 0.43 -7.10 0.04 0.00 -1.41 -3.36 103.07 91.98 1qwm h GLY 185 Ca -0.00 -0.16 -0.60 0.00 0.00 0.00 0.00 47.33 46.57 1qwm h GLY 185 CO 0.00 0.16 -0.75 -0.42 0.00 0.00 0.00 176.54 175.53 1qwm s ILE 186 N -5.37 1.17 0.66 2.60 1.01 -1.20 -2.43 121.20 117.64 1qwm s ILE 186 Ca -0.07 -1.97 -0.16 0.00 0.00 0.00 0.00 60.65 58.44 1qwm s ILE 186 Cb 0.17 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.79 1qwm s ILE 186 CO 0.72 -0.78 1.17 -2.84 0.00 0.00 0.00 174.94 173.20 1qwm s PRO 187 N 1.00 2.66 0.30 2.79 0.02 -1.26 -0.88 135.00 139.63 1qwm s PRO 187 Ca 0.14 1.64 -0.01 0.00 0.02 0.00 0.00 61.00 62.78 1qwm s PRO 187 Cb -0.21 -1.91 0.47 0.00 0.02 0.00 0.00 34.50 32.87 1qwm s PRO 187 CO -0.12 -1.41 1.96 -0.22 -0.33 0.00 0.00 177.00 176.88 1qwm h LYS 188 N 0.21 1.06 -2.47 5.54 3.64 -1.19 -3.39 116.57 119.98 1qwm h LYS 188 Ca -0.48 -0.06 0.15 0.00 -1.27 0.00 0.00 60.65 58.99 1qwm h LYS 188 Cb 1.28 -0.24 -0.06 0.00 -0.41 0.00 0.00 32.23 32.80 1qwm h LYS 188 CO 0.53 0.70 0.49 -1.54 -2.27 0.00 0.00 179.45 177.36 1qwm s SER 189 N -6.23 -0.11 0.58 4.20 1.04 -1.26 -4.94 113.70 106.97 1qwm s SER 189 Ca -0.11 -0.55 0.35 0.00 0.48 0.00 0.00 55.95 56.11 1qwm s SER 189 Cb 0.18 0.53 1.74 0.00 0.10 0.00 0.00 66.02 68.57 1qwm s SER 189 CO 0.79 -1.01 2.14 -0.26 0.98 0.00 0.00 173.24 175.89 1qwm h PHE 190 N 2.00 0.00 0.00 5.02 0.05 -1.90 -2.54 116.94 119.57 1qwm h PHE 190 Ca -0.26 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.53 1qwm h PHE 190 Cb 1.23 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.18 1qwm h PHE 190 CO 0.74 0.04 0.00 0.54 -0.18 0.00 0.00 178.31 179.46 1qwm n ARG 191 N -3.29 0.14 -0.80 1.51 1.74 -1.26 -3.64 116.66 111.06 1qwm n ARG 191 Ca -0.01 0.13 -0.02 0.00 -0.77 0.00 0.00 57.85 57.18 1qwm n ARG 191 Cb 0.21 -1.67 0.19 0.00 -1.02 0.00 0.00 32.46 30.17 1qwm n ARG 191 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1qwm n HIS 192 N -1.92 0.79 -4.18 -1.55 8.25 -0.96 -4.36 115.22 111.29 1qwm n HIS 192 Ca 0.06 -1.63 -0.15 0.00 -0.26 0.00 0.00 57.72 55.74 1qwm n HIS 192 Cb 0.38 -0.41 -0.11 0.00 1.12 0.00 0.00 29.99 30.97 1qwm n HIS 192 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qwm s MET 193 N -3.28 0.86 0.69 -0.41 0.23 -1.24 -2.15 119.30 114.00 1qwm s MET 193 Ca 0.43 -1.14 -0.08 0.00 -1.03 0.00 0.00 55.69 53.87 1qwm s MET 193 Cb 0.40 -0.62 0.04 0.00 -1.53 0.00 0.00 34.83 33.12 1qwm s MET 193 CO -0.03 0.11 1.02 -0.51 -2.03 0.00 0.00 175.02 173.58 1qwm s ASP 194 N -2.35 5.06 0.14 -1.18 1.01 -1.26 -4.29 116.67 113.79 1qwm s ASP 194 Ca 0.05 0.65 0.08 0.00 0.71 0.00 0.00 52.55 54.04 1qwm s ASP 194 Cb -0.04 -1.39 -0.04 0.00 1.01 0.00 0.00 42.92 42.46 1qwm s ASP 194 CO 0.01 -1.47 -0.18 -0.83 0.21 0.00 0.00 175.17 172.91 1qwm s GLY 195 N -4.45 1.29 -0.05 0.21 0.00 -0.05 -4.19 107.32 100.07 1qwm s GLY 195 Ca 0.58 -1.38 -0.10 0.00 0.00 0.00 0.00 44.72 43.82 1qwm s GLY 195 CO 0.46 -1.42 0.25 -1.36 0.00 0.00 0.00 173.10 171.03 1qwm s PHE 196 N -1.82 -0.19 0.32 1.90 0.40 0.37 0.04 117.98 119.01 1qwm s PHE 196 Ca 0.12 0.40 0.24 0.00 -0.60 0.00 0.00 56.93 57.09 1qwm s PHE 196 Cb -0.07 0.06 1.15 0.00 0.51 0.00 0.00 43.02 44.68 1qwm s PHE 196 CO 0.05 -0.23 1.95 0.78 0.70 0.00 0.00 175.22 178.47 1qwm h GLY 197 N 4.94 0.00 0.00 4.36 0.00 -1.61 -2.24 103.07 108.52 1qwm h GLY 197 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1qwm h GLY 197 CO 0.37 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.35 1qwm n SER 198 N -3.65 0.00 -4.77 0.19 7.64 -1.26 -4.77 113.62 107.00 1qwm n SER 198 Ca -0.01 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.53 1qwm n SER 198 Cb 0.33 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.57 1qwm n SER 198 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1qwm s HIS 199 N 0.00 2.63 0.17 1.43 3.76 -1.26 -4.82 115.29 117.19 1qwm s HIS 199 Ca 0.00 1.55 -0.31 0.00 -0.15 0.00 0.00 55.06 56.15 1qwm s HIS 199 Cb 0.00 -3.20 -0.09 0.00 1.11 0.00 0.00 32.58 30.40 1qwm s HIS 199 CO 0.00 -1.68 1.47 0.99 -0.85 0.00 0.00 174.74 174.67 1qwm s THR 200 N -2.22 2.89 0.28 1.30 2.01 -1.26 -4.69 115.64 113.95 1qwm s THR 200 Ca 0.68 0.66 0.01 0.00 0.31 0.00 0.00 61.69 63.35 1qwm s THR 200 Cb -0.21 -3.42 0.01 0.00 0.01 0.00 0.00 72.50 68.88 1qwm s THR 200 CO 0.38 0.07 0.06 0.49 -0.69 0.00 0.00 174.62 174.93 1qwm n PHE 201 N 3.56 0.20 -4.35 4.92 3.72 -0.18 -4.20 117.46 121.12 1qwm n PHE 201 Ca 0.11 -1.32 -0.26 0.00 -0.05 0.00 0.00 57.45 55.93 1qwm n PHE 201 Cb 0.40 -0.20 -0.12 0.00 -0.94 0.00 0.00 39.48 38.62 1qwm n PHE 201 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1qwm s SER 202 N -2.56 2.96 0.02 4.37 1.04 -0.59 -0.81 113.70 118.13 1qwm s SER 202 Ca 0.04 -0.76 0.06 0.00 0.48 0.00 0.00 55.95 55.77 1qwm s SER 202 Cb -0.00 -0.19 -0.03 0.00 0.10 0.00 0.00 66.02 65.90 1qwm s SER 202 CO 0.03 0.09 -0.16 -0.76 0.98 0.00 0.00 173.24 173.42 1qwm s LEU 203 N -2.20 2.68 -0.12 2.42 1.43 0.11 -0.92 118.68 122.10 1qwm s LEU 203 Ca 0.13 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.90 1qwm s LEU 203 Cb -0.09 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.58 1qwm s LEU 203 CO 0.06 0.27 -0.21 -0.63 0.23 0.00 0.00 176.35 176.07 1qwm s ILE 204 N -0.90 1.94 0.66 -0.59 -1.09 -0.26 -0.81 121.20 120.16 1qwm s ILE 204 Ca 0.14 -0.92 0.02 0.00 -2.23 0.00 0.00 60.65 57.66 1qwm s ILE 204 Cb -0.11 -1.70 0.10 0.00 -1.58 0.00 0.00 42.46 39.18 1qwm s ILE 204 CO 0.05 0.53 0.91 0.54 -1.23 0.00 0.00 174.94 175.74 1qwm s ASN 205 N 0.65 4.66 0.60 3.58 2.20 -0.54 -1.32 114.94 124.76 1qwm s ASN 205 Ca -0.12 -0.43 0.35 0.00 -0.94 0.00 0.00 52.86 51.71 1qwm s ASN 205 Cb -0.16 -0.06 1.95 0.00 -2.00 0.00 0.00 41.25 40.98 1qwm s ASN 205 CO 0.03 -1.63 2.26 0.00 -2.94 0.00 0.00 177.10 174.81 1qwm h ALA 206 N -0.27 1.29 -0.01 3.54 0.00 -1.88 -0.20 119.26 121.73 1qwm h ALA 206 Ca -0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1qwm h ALA 206 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1qwm h ALA 206 CO 0.42 0.02 -0.05 1.63 0.00 0.00 0.00 179.25 181.28 1qwm n LYS 207 N -3.53 1.36 -0.95 0.00 5.02 -1.26 -4.94 118.16 113.87 1qwm n LYS 207 Ca -0.03 -0.69 0.00 0.00 -2.02 0.00 0.00 58.31 55.57 1qwm n LYS 207 Cb 0.11 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1qwm n LYS 207 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qwm n GLY 208 N 1.18 0.46 3.77 0.72 0.00 -0.09 -5.04 105.19 106.19 1qwm n GLY 208 Ca 0.18 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 1qwm n GLY 208 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qwm s GLU 209 N -1.20 4.69 -0.05 1.61 2.02 -1.26 -4.81 118.70 119.69 1qwm s GLU 209 Ca 0.00 1.39 -0.01 0.00 0.02 0.00 0.00 54.97 56.37 1qwm s GLU 209 Cb 0.00 -2.98 -0.03 0.00 0.10 0.00 0.00 34.13 31.22 1qwm s GLU 209 CO 0.00 0.37 0.02 0.50 0.02 0.00 0.00 175.26 176.17 1qwm s ARG 210 N -1.73 2.96 0.01 1.61 3.52 -1.26 -1.47 118.95 122.59 1qwm s ARG 210 Ca 0.47 -0.46 0.05 0.00 -0.13 0.00 0.00 55.73 55.65 1qwm s ARG 210 Cb -0.21 -2.79 -0.01 0.00 -1.56 0.00 0.00 34.95 30.37 1qwm s ARG 210 CO 0.27 0.68 -0.14 -0.06 -0.81 0.00 0.00 175.30 175.23 1qwm s PHE 211 N -0.99 1.28 0.27 5.12 0.40 0.01 -4.00 117.98 120.06 1qwm s PHE 211 Ca 0.17 -0.28 -0.27 0.00 -0.60 0.00 0.00 56.93 55.95 1qwm s PHE 211 Cb -0.11 -0.80 -0.09 0.00 0.51 0.00 0.00 43.02 42.52 1qwm s PHE 211 CO 0.06 0.00 0.92 -1.58 0.70 0.00 0.00 175.22 175.32 1qwm s TRP 212 N -0.50 3.82 0.02 0.36 0.52 0.36 0.10 118.94 123.62 1qwm s TRP 212 Ca 0.04 1.80 0.01 0.00 0.02 0.00 0.00 56.10 57.98 1qwm s TRP 212 Cb -0.06 -2.91 -0.02 0.00 -1.15 0.00 0.00 33.47 29.33 1qwm s TRP 212 CO 0.00 0.34 -0.05 0.54 0.02 0.00 0.00 176.95 177.79 1qwm s VAL 213 N -1.41 0.37 -0.05 4.03 0.11 0.01 -0.57 120.40 122.88 1qwm s VAL 213 Ca 0.45 -0.77 0.06 0.00 -2.93 0.00 0.00 61.98 58.79 1qwm s VAL 213 Cb -0.22 -0.42 -0.01 0.00 -1.53 0.00 0.00 36.38 34.20 1qwm s VAL 213 CO 0.27 -0.27 -0.24 -0.54 -3.33 0.00 0.00 175.10 170.99 1qwm s LYS 214 N -1.11 2.42 -0.17 1.54 -0.14 -0.63 -1.01 119.74 120.64 1qwm s LYS 214 Ca -0.08 -0.86 -0.09 0.00 -1.36 0.00 0.00 55.97 53.58 1qwm s LYS 214 Cb -0.07 -2.06 -0.05 0.00 -1.68 0.00 0.00 37.83 33.97 1qwm s LYS 214 CO -0.00 0.36 0.13 -0.06 -0.76 0.00 0.00 175.35 175.02 1qwm s PHE 215 N -0.14 3.48 -0.05 3.18 0.08 -1.26 -1.31 117.98 121.95 1qwm s PHE 215 Ca -0.03 0.40 0.03 0.00 0.12 0.00 0.00 56.93 57.44 1qwm s PHE 215 Cb -0.13 -2.07 0.01 0.00 -0.57 0.00 0.00 43.02 40.25 1qwm s PHE 215 CO 0.03 0.46 -0.14 -1.01 -0.10 0.00 0.00 175.22 174.47 1qwm s HIS 216 N -0.18 1.49 -0.28 0.36 3.76 0.54 -1.67 115.29 119.30 1qwm s HIS 216 Ca 0.11 -0.49 0.03 0.00 -0.15 0.00 0.00 55.06 54.56 1qwm s HIS 216 Cb -0.11 -1.05 0.07 0.00 1.11 0.00 0.00 32.58 32.60 1qwm s HIS 216 CO 0.00 -0.21 -0.05 -0.06 -0.85 0.00 0.00 174.74 173.57 1qwm s PHE 217 N 0.36 3.25 -0.20 1.40 0.40 0.11 -0.48 117.98 122.82 1qwm s PHE 217 Ca -0.09 -2.44 -0.14 0.00 -0.60 0.00 0.00 56.93 53.66 1qwm s PHE 217 Cb -0.13 -2.18 -0.04 0.00 0.51 0.00 0.00 43.02 41.17 1qwm s PHE 217 CO 0.03 -0.89 0.32 -1.01 0.70 0.00 0.00 175.22 174.37 1qwm s HIS 218 N 1.10 3.39 0.22 0.36 3.76 -0.31 -0.87 115.29 122.93 1qwm s HIS 218 Ca -0.02 0.53 -0.30 0.00 -0.15 0.00 0.00 55.06 55.12 1qwm s HIS 218 Cb -0.19 -2.42 -0.10 0.00 1.11 0.00 0.00 32.58 30.98 1qwm s HIS 218 CO -0.07 0.07 1.43 -0.08 -0.85 0.00 0.00 174.74 175.24 1qwm s THR 219 N 1.02 2.82 -1.59 1.30 -1.32 -1.26 -1.37 115.64 115.24 1qwm s THR 219 Ca 0.16 0.66 0.28 0.00 -1.21 0.00 0.00 61.69 61.59 1qwm s THR 219 Cb -0.14 -3.42 0.41 0.00 -1.51 0.00 0.00 72.50 67.84 1qwm s THR 219 CO 0.06 0.09 1.83 0.23 -2.21 0.00 0.00 174.62 174.62 1qwm n MET 220 N 2.74 0.62 0.00 7.08 2.81 -0.48 -3.25 117.12 126.65 1qwm n MET 220 Ca 0.08 -0.22 0.12 0.00 -1.81 0.00 0.00 57.70 55.86 1qwm n MET 220 Cb 0.41 -1.50 0.16 0.00 -0.71 0.00 0.00 33.22 31.58 1qwm n MET 220 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1qwm n GLN 221 N -0.99 0.58 0.00 0.03 3.00 -1.26 -4.99 117.38 113.74 1qwm n GLN 221 Ca 0.13 -0.41 0.00 0.00 -0.01 0.00 0.00 57.00 56.71 1qwm n GLN 221 Cb 0.29 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.04 1qwm n GLN 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1qwm n GLY 222 N 1.43 0.25 3.66 1.08 0.00 -1.20 -4.92 105.19 105.48 1qwm n GLY 222 Ca 0.08 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 1qwm n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qwm s VAL 223 N -1.62 4.11 0.03 1.61 1.01 -1.26 -4.40 120.40 119.88 1qwm s VAL 223 Ca 0.00 1.34 0.02 0.00 0.00 0.00 0.00 61.98 63.34 1qwm s VAL 223 Cb 0.00 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1qwm s VAL 223 CO 0.00 -0.15 -0.07 -0.54 0.00 0.00 0.00 175.10 174.34 1qwm s LYS 224 N 3.69 0.51 0.25 2.72 1.02 -0.92 -5.05 119.74 121.96 1qwm s LYS 224 Ca 0.59 -0.65 0.07 0.00 0.02 0.00 0.00 55.97 56.00 1qwm s LYS 224 Cb -0.24 -0.31 -0.05 0.00 -0.52 0.00 0.00 37.83 36.71 1qwm s LYS 224 CO 0.19 0.06 -0.11 -3.38 -0.92 0.00 0.00 175.35 171.19 1qwm s HIS 225 N -1.15 1.87 -0.11 3.18 -3.43 -1.26 -0.76 115.29 113.63 1qwm s HIS 225 Ca -0.08 -0.62 -0.05 0.00 -0.80 0.00 0.00 55.06 53.52 1qwm s HIS 225 Cb -0.09 -0.97 -0.04 0.00 -1.43 0.00 0.00 32.58 30.06 1qwm s HIS 225 CO 0.00 0.35 0.08 -0.51 -2.00 0.00 0.00 174.74 172.66 1qwm s LEU 226 N -3.39 4.05 0.89 5.38 1.43 -0.06 -4.55 118.68 122.44 1qwm s LEU 226 Ca 0.26 0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 53.58 1qwm s LEU 226 Cb 0.01 -1.97 0.13 0.00 0.03 0.00 0.00 46.19 44.39 1qwm s LEU 226 CO 0.10 0.40 1.12 0.42 0.23 0.00 0.00 176.35 178.62 1qwm s THR 227 N -0.97 2.29 0.26 5.49 -4.23 -1.26 -4.59 115.64 112.63 1qwm s THR 227 Ca 0.14 0.10 -0.02 0.00 -1.18 0.00 0.00 61.69 60.73 1qwm s THR 227 Cb -0.12 -2.80 0.25 0.00 1.34 0.00 0.00 72.50 71.18 1qwm s THR 227 CO 0.03 -0.12 1.83 0.78 -0.54 0.00 0.00 174.62 176.60 1qwm h ASN 228 N -1.46 0.83 -0.24 3.99 2.35 -1.98 -0.86 115.58 118.21 1qwm h ASN 228 Ca -0.50 0.04 -0.16 0.00 -0.55 0.00 0.00 56.30 55.13 1qwm h ASN 228 Cb 1.31 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.56 1qwm h ASN 228 CO 0.60 0.47 -0.49 -0.33 -1.65 0.00 0.00 177.43 176.04 1qwm h GLU 229 N 0.93 0.75 -0.68 0.81 3.07 -1.99 -1.74 114.58 115.72 1qwm h GLU 229 Ca 0.44 -0.49 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 1qwm h GLU 229 Cb 0.39 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.33 1qwm h GLU 229 CO -0.24 1.11 0.36 0.93 -1.40 0.00 0.00 179.01 179.77 1qwm h GLU 230 N 0.48 0.97 -0.41 2.33 5.08 -1.86 -2.29 114.58 118.88 1qwm h GLU 230 Ca 0.01 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1qwm h GLU 230 Cb 1.09 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1qwm h GLU 230 CO 0.11 0.74 0.19 0.00 -1.00 0.00 0.00 179.01 179.05 1qwm h ALA 231 N 1.17 0.53 -0.95 3.43 0.00 -1.08 -2.01 119.26 120.36 1qwm h ALA 231 Ca 0.24 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1qwm h ALA 231 Cb 0.07 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1qwm h ALA 231 CO -0.04 0.10 0.62 0.00 0.00 0.00 0.00 179.25 179.93 1qwm h ALA 232 N 1.04 1.42 -0.47 0.00 0.00 -1.15 -0.37 119.26 119.73 1qwm h ALA 232 Ca 0.14 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1qwm h ALA 232 Cb 0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1qwm h ALA 232 CO -0.02 0.47 -0.12 0.93 0.00 0.00 0.00 179.25 180.51 1qwm h GLU 233 N 1.16 0.87 -0.30 0.00 4.39 -1.05 -2.54 114.58 117.11 1qwm h GLU 233 Ca 0.39 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 1qwm h GLU 233 Cb 0.08 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1qwm h GLU 233 CO -0.13 0.94 0.01 0.82 -1.16 0.00 0.00 179.01 179.49 1qwm h ILE 234 N 0.78 1.25 -0.91 3.13 2.04 -0.70 -3.23 117.51 119.87 1qwm h ILE 234 Ca 0.13 -0.91 0.08 0.00 1.00 0.00 0.00 64.86 65.15 1qwm h ILE 234 Cb 0.64 1.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.92 1qwm h ILE 234 CO 0.04 0.29 0.59 0.03 0.00 0.00 0.00 178.15 179.10 1qwm h ARG 235 N 0.31 0.95 0.00 2.37 3.08 -0.86 0.20 114.38 120.44 1qwm h ARG 235 Ca 0.09 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1qwm h ARG 235 Cb 0.41 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1qwm h ARG 235 CO 0.01 0.63 -0.06 1.57 -1.07 0.00 0.00 179.97 181.06 1qwm h LYS 236 N 0.98 0.00 0.00 0.04 2.10 -1.47 -3.15 116.57 115.07 1qwm h LYS 236 Ca 0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 1qwm h LYS 236 Cb 0.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 1qwm h LYS 236 CO -0.16 0.06 0.00 0.72 -2.00 0.00 0.00 179.45 178.07 1qwm n HIS 237 N -3.24 0.00 -3.35 0.07 8.25 -1.00 -4.96 115.22 110.98 1qwm n HIS 237 Ca -0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 1qwm n HIS 237 Cb 0.26 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.30 1qwm n HIS 237 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1qwm s ASP 238 N -0.86 1.02 0.00 0.41 2.15 0.03 -4.97 116.67 114.44 1qwm s ASP 238 Ca 0.00 -1.08 0.15 0.00 0.43 0.00 0.00 52.55 52.04 1qwm s ASP 238 Cb 0.00 0.72 0.70 0.00 -0.30 0.00 0.00 42.92 44.04 1qwm s ASP 238 CO 0.00 -0.31 1.43 -0.81 -0.17 0.00 0.00 175.17 175.31 1qwm n PRO 239 N 4.76 0.13 -0.78 4.34 -0.04 -1.26 -3.16 135.00 138.99 1qwm n PRO 239 Ca 0.05 0.19 -0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1qwm n PRO 239 Cb 0.47 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.62 1qwm n PRO 239 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1qwm n ASP 240 N -1.37 2.25 0.02 3.54 8.00 -1.26 -0.35 116.55 127.38 1qwm n ASP 240 Ca 0.06 -3.86 0.06 0.00 0.71 0.00 0.00 54.79 51.76 1qwm n ASP 240 Cb 0.14 -0.57 0.46 0.00 -0.02 0.00 0.00 41.12 41.13 1qwm n ASP 240 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1qwm h SER 241 N 1.08 0.40 0.64 -2.24 4.64 -1.93 -0.62 113.55 115.52 1qwm h SER 241 Ca 0.12 -0.01 -0.27 0.00 -0.47 0.00 0.00 61.79 61.16 1qwm h SER 241 Cb 1.29 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1qwm h SER 241 CO 0.22 0.28 -1.34 0.78 -0.87 0.00 0.00 176.83 175.90 1qwm h ASN 242 N 0.47 0.26 -0.30 4.97 2.35 -1.90 -1.35 115.58 120.07 1qwm h ASN 242 Ca 0.15 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1qwm h ASN 242 Cb 0.04 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1qwm h ASN 242 CO -0.03 1.26 0.18 -0.61 -1.65 0.00 0.00 177.43 176.57 1qwm h GLN 243 N 0.04 0.41 -0.31 0.81 5.75 -1.87 -1.08 115.11 118.87 1qwm h GLN 243 Ca -0.16 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.28 1qwm h GLN 243 Cb 1.94 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 30.39 1qwm h GLN 243 CO 0.16 0.33 0.13 -0.09 -2.65 0.00 0.00 178.83 176.70 1qwm h ARG 244 N 0.38 0.46 -0.53 1.69 2.43 -1.15 -1.64 114.38 116.02 1qwm h ARG 244 Ca 0.11 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1qwm h ARG 244 Cb 0.02 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 1qwm h ARG 244 CO -0.02 0.47 0.35 0.22 -1.51 0.00 0.00 179.97 179.48 1qwm h ASP 245 N 0.35 0.61 -0.22 -3.80 3.58 -1.13 -0.90 116.42 114.91 1qwm h ASP 245 Ca 0.10 -0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.45 1qwm h ASP 245 Cb 0.18 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.07 1qwm h ASP 245 CO -0.01 0.44 -0.19 0.25 -2.88 0.00 0.00 179.24 176.85 1qwm h LEU 246 N 0.72 0.55 -0.53 2.28 5.85 -1.08 -0.87 115.31 122.24 1qwm h LEU 246 Ca 0.20 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 1qwm h LEU 246 Cb -0.08 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 1qwm h LEU 246 CO -0.04 0.90 0.29 0.15 -0.34 0.00 0.00 178.44 179.40 1qwm h PHE 247 N 0.21 0.72 -0.33 1.25 3.04 -1.26 -1.95 116.94 118.62 1qwm h PHE 247 Ca 0.04 -0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.82 1qwm h PHE 247 Cb 0.73 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 39.01 1qwm h PHE 247 CO 0.08 0.53 -0.41 -0.44 -2.02 0.00 0.00 178.31 176.05 1qwm h ASP 248 N 0.71 0.88 -0.21 0.41 3.32 -1.11 -0.02 116.42 120.40 1qwm h ASP 248 Ca 0.19 -0.41 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 1qwm h ASP 248 Cb 0.04 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1qwm h ASP 248 CO -0.03 1.17 0.12 0.00 -1.72 0.00 0.00 179.24 178.78 1qwm h ALA 249 N 0.87 0.27 -0.47 3.45 0.00 -0.92 -1.68 119.26 120.78 1qwm h ALA 249 Ca 0.05 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1qwm h ALA 249 Cb 0.98 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1qwm h ALA 249 CO 0.09 -0.22 -0.10 0.82 0.00 0.00 0.00 179.25 179.85 1qwm h ILE 250 N 0.25 1.26 -0.08 0.00 2.04 -1.23 0.12 117.51 119.87 1qwm h ILE 250 Ca 0.07 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 64.72 1qwm h ILE 250 Cb 0.04 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1qwm h ILE 250 CO -0.01 0.41 -0.09 0.00 0.00 0.00 0.00 178.15 178.46 1qwm h ALA 251 N 1.11 1.71 -0.18 1.87 0.00 -0.72 -1.85 119.26 121.20 1qwm h ALA 251 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qwm h ALA 251 Cb 0.61 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1qwm h ALA 251 CO 0.04 0.22 0.00 2.89 0.00 0.00 0.00 179.25 182.40 1qwm n ARG 252 N -4.37 2.00 -0.87 0.00 1.85 -0.66 -4.94 116.66 109.67 1qwm n ARG 252 Ca -0.02 -1.49 0.00 0.00 -1.00 0.00 0.00 57.85 55.34 1qwm n ARG 252 Cb 0.20 -1.45 0.00 0.00 -1.05 0.00 0.00 32.46 30.17 1qwm n ARG 252 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1qwm n GLY 253 N 1.26 0.53 2.83 2.89 0.00 -0.70 -4.98 105.19 107.03 1qwm n GLY 253 Ca 0.17 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1qwm n GLY 253 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qwm n ASP 254 N 0.48 5.78 -4.66 1.61 2.03 0.01 -5.00 116.55 116.79 1qwm n ASP 254 Ca 0.00 -3.18 -0.43 0.00 0.52 0.00 0.00 54.79 51.70 1qwm n ASP 254 Cb 0.00 -1.42 -0.02 0.00 -0.72 0.00 0.00 41.12 38.96 1qwm n ASP 254 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1qwm s TYR 255 N -0.51 2.56 0.32 -0.67 4.12 -1.26 -4.38 117.35 117.54 1qwm s TYR 255 Ca 0.40 0.73 -0.28 0.00 0.02 0.00 0.00 57.07 57.94 1qwm s TYR 255 Cb 0.10 -3.65 -0.09 0.00 -1.52 0.00 0.00 41.96 36.80 1qwm s TYR 255 CO 0.01 -2.44 1.13 -1.25 0.02 0.00 0.00 175.55 173.02 1qwm s PRO 256 N 3.61 4.44 0.16 -1.71 0.04 -1.24 -4.81 135.00 135.50 1qwm s PRO 256 Ca 0.61 1.83 0.09 0.00 0.04 0.00 0.00 61.00 63.57 1qwm s PRO 256 Cb -0.26 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 1qwm s PRO 256 CO 0.20 0.02 -0.19 0.15 0.04 0.00 0.00 177.00 177.22 1qwm s LYS 257 N -1.77 1.27 0.02 4.56 1.02 -1.26 -1.32 119.74 122.26 1qwm s LYS 257 Ca 0.49 -1.38 0.02 0.00 0.02 0.00 0.00 55.97 55.12 1qwm s LYS 257 Cb -0.32 -1.37 -0.01 0.00 -0.52 0.00 0.00 37.83 35.61 1qwm s LYS 257 CO 0.41 0.29 -0.06 -1.58 -0.92 0.00 0.00 175.35 173.48 1qwm s TRP 258 N -1.90 0.54 -0.27 3.18 0.51 -0.23 -1.38 118.94 119.40 1qwm s TRP 258 Ca 0.15 -0.30 -0.13 0.00 -2.12 0.00 0.00 56.10 53.70 1qwm s TRP 258 Cb -0.06 -0.33 -0.04 0.00 -0.81 0.00 0.00 33.47 32.22 1qwm s TRP 258 CO 0.06 -0.05 0.27 0.21 -0.51 0.00 0.00 176.95 176.94 1qwm s LYS 259 N -0.87 4.01 -0.13 4.98 2.20 -0.47 -0.66 119.74 128.79 1qwm s LYS 259 Ca -0.05 -0.13 -0.28 0.00 -0.36 0.00 0.00 55.97 55.15 1qwm s LYS 259 Cb -0.06 -3.64 -0.01 0.00 -1.51 0.00 0.00 37.83 32.61 1qwm s LYS 259 CO 0.00 -0.18 0.96 -1.17 -0.36 0.00 0.00 175.35 174.60 1qwm s LEU 260 N 1.77 4.22 0.17 5.43 2.96 0.11 -1.16 118.68 132.18 1qwm s LEU 260 Ca 0.11 1.42 0.08 0.00 -0.22 0.00 0.00 54.13 55.52 1qwm s LEU 260 Cb -0.16 -3.46 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 1qwm s LEU 260 CO 0.10 -0.44 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.08 1qwm s SER 261 N 1.11 2.55 0.16 3.68 0.01 0.36 -0.46 113.70 121.11 1qwm s SER 261 Ca 0.45 -0.88 0.10 0.00 1.31 0.00 0.00 55.95 56.93 1qwm s SER 261 Cb -0.18 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 1qwm s SER 261 CO 0.16 -0.08 -0.22 0.27 0.41 0.00 0.00 173.24 173.78 1qwm s ILE 262 N -2.24 2.07 -0.06 1.44 -4.36 0.69 -0.34 121.20 118.39 1qwm s ILE 262 Ca 0.16 -1.88 -0.02 0.00 -0.26 0.00 0.00 60.65 58.64 1qwm s ILE 262 Cb -0.05 -1.93 -0.04 0.00 1.25 0.00 0.00 42.46 41.70 1qwm s ILE 262 CO 0.06 -0.14 0.06 -1.10 0.24 0.00 0.00 174.94 174.06 1qwm s GLN 263 N -2.50 3.10 -0.08 0.37 -0.21 -0.43 -0.53 119.66 119.38 1qwm s GLN 263 Ca 0.16 -0.38 0.01 0.00 0.02 0.00 0.00 55.36 55.17 1qwm s GLN 263 Cb -0.08 -2.90 0.02 0.00 1.00 0.00 0.00 33.01 31.05 1qwm s GLN 263 CO 0.07 0.70 -0.10 0.08 -2.12 0.00 0.00 175.29 173.92 1qwm s VAL 264 N -1.03 1.01 -0.17 1.09 1.01 -1.26 -1.61 120.40 119.45 1qwm s VAL 264 Ca 0.17 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1qwm s VAL 264 Cb -0.12 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.31 1qwm s VAL 264 CO 0.07 0.34 -0.19 -0.32 0.00 0.00 0.00 175.10 175.01 1qwm s MET 265 N 1.04 2.81 0.58 2.72 0.00 0.26 -4.98 119.30 121.74 1qwm s MET 265 Ca -0.08 -0.76 -0.20 0.00 0.00 0.00 0.00 55.69 54.65 1qwm s MET 265 Cb -0.15 -2.44 -0.04 0.00 0.00 0.00 0.00 34.83 32.21 1qwm s MET 265 CO -0.01 -0.20 1.25 -2.14 0.00 0.00 0.00 175.02 173.92 1qwm s PRO 266 N 1.30 3.02 0.43 4.11 0.02 -1.26 -0.49 135.00 142.13 1qwm s PRO 266 Ca 0.04 1.94 0.23 0.00 0.02 0.00 0.00 61.00 63.24 1qwm s PRO 266 Cb -0.13 -2.03 1.23 0.00 0.02 0.00 0.00 34.50 33.59 1qwm s PRO 266 CO -0.12 -1.20 1.76 0.93 -0.33 0.00 0.00 177.00 178.04 1qwm h GLU 267 N 1.06 0.27 0.00 5.54 5.08 -1.95 -1.64 114.58 122.94 1qwm h GLU 267 Ca -0.51 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1qwm h GLU 267 Cb 1.30 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1qwm h GLU 267 CO 0.56 0.18 0.00 -0.85 -1.00 0.00 0.00 179.01 177.89 1qwm n GLU 268 N -4.55 0.03 0.06 2.33 0.00 -1.26 -3.06 120.64 114.19 1qwm n GLU 268 Ca 0.27 0.18 0.02 0.00 0.00 0.00 0.00 57.16 57.63 1qwm n GLU 268 Cb 1.02 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.91 1qwm n GLU 268 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1qwm h ASP 269 N 0.00 0.00 -0.06 -1.84 5.19 -1.64 -3.40 116.42 114.68 1qwm h ASP 269 Ca 0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 1qwm h ASP 269 Cb 0.30 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 1qwm h ASP 269 CO 0.00 0.47 -0.08 0.00 -3.12 0.00 0.00 179.24 176.51 1qwm h ALA 270 N 1.53 1.49 -0.15 3.45 0.00 -1.65 -2.41 119.26 121.51 1qwm h ALA 270 Ca -0.12 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 1qwm h ALA 270 Cb 1.46 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1qwm h ALA 270 CO 0.04 0.36 -0.46 -0.22 0.00 0.00 0.00 179.25 178.97 1qwm h LYS 271 N 0.30 0.38 -0.16 0.00 3.64 -1.76 -3.31 116.57 115.66 1qwm h LYS 271 Ca 0.06 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1qwm h LYS 271 Cb 0.34 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1qwm h LYS 271 CO 0.02 0.77 0.00 1.63 -2.27 0.00 0.00 179.45 179.59 1qwm n LYS 272 N -3.99 2.11 -1.75 1.90 5.02 -1.19 -4.94 118.16 115.32 1qwm n LYS 272 Ca -0.02 -1.58 -0.42 0.00 -2.02 0.00 0.00 58.31 54.27 1qwm n LYS 272 Cb 0.53 -1.15 -0.01 0.00 -0.02 0.00 0.00 35.03 34.38 1qwm n LYS 272 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1qwm n TYR 273 N 0.19 2.80 0.29 2.13 9.36 -0.91 -4.83 117.16 126.17 1qwm n TYR 273 Ca 0.06 0.43 0.18 0.00 3.32 0.00 0.00 57.90 61.89 1qwm n TYR 273 Cb 0.31 -2.52 0.96 0.00 -0.63 0.00 0.00 39.34 37.45 1qwm n TYR 273 CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 1qwm h ARG 274 N 3.29 0.00 -6.43 2.98 0.11 -1.95 -3.40 114.38 108.98 1qwm h ARG 274 Ca -0.49 0.00 -0.70 0.00 0.10 0.00 0.00 59.98 58.90 1qwm h ARG 274 Cb 1.25 0.00 -0.29 0.00 1.11 0.00 0.00 29.97 32.03 1qwm h ARG 274 CO 0.67 0.00 -0.87 -0.06 0.10 0.00 0.00 179.97 179.81 1qwm s PHE 275 N -4.34 2.41 -0.35 4.08 0.40 -1.26 -5.07 117.98 113.84 1qwm s PHE 275 Ca -0.04 -0.46 -0.37 0.00 -0.60 0.00 0.00 56.93 55.45 1qwm s PHE 275 Cb 0.13 -1.54 -0.13 0.00 0.51 0.00 0.00 43.02 41.99 1qwm s PHE 275 CO 0.43 -0.05 2.11 1.58 0.70 0.00 0.00 175.22 179.99 1qwm n HIS 276 N 2.54 1.63 0.61 0.36 -0.00 -1.26 -4.81 115.22 114.28 1qwm n HIS 276 Ca -0.16 0.38 0.11 0.00 -0.00 0.00 0.00 57.72 58.04 1qwm n HIS 276 Cb 0.51 -2.49 0.44 0.00 -0.00 0.00 0.00 29.99 28.45 1qwm n HIS 276 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1qwm n PRO 277 N 7.64 0.08 -0.07 1.57 -0.02 -1.26 -3.02 135.00 139.92 1qwm n PRO 277 Ca 0.41 0.23 0.09 0.00 -2.02 0.00 0.00 63.50 62.20 1qwm n PRO 277 Cb 0.18 -1.62 0.13 0.00 -0.02 0.00 0.00 33.50 32.16 1qwm n PRO 277 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1qwm n PHE 278 N -1.76 0.00 -3.50 6.00 3.72 -1.26 -4.66 117.46 116.00 1qwm n PHE 278 Ca 0.04 -0.94 -0.42 0.00 -0.05 0.00 0.00 57.45 56.08 1qwm n PHE 278 Cb 0.26 -0.14 -0.10 0.00 -0.94 0.00 0.00 39.48 38.55 1qwm n PHE 278 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1qwm s ASP 279 N -2.68 6.01 0.00 4.37 3.68 -1.17 -4.24 116.67 122.65 1qwm s ASP 279 Ca 0.29 -0.87 0.24 0.00 2.13 0.00 0.00 52.55 54.34 1qwm s ASP 279 Cb 0.25 -2.12 1.39 0.00 -1.45 0.00 0.00 42.92 40.99 1qwm s ASP 279 CO 0.03 -0.41 1.82 0.55 0.13 0.00 0.00 175.17 177.28 1qwm n VAL 280 N 5.11 0.07 1.25 1.11 3.14 -1.26 -0.97 118.33 126.79 1qwm n VAL 280 Ca -0.11 0.02 0.08 0.00 -2.96 0.00 0.00 64.34 61.37 1qwm n VAL 280 Cb 0.47 -0.63 0.30 0.00 -1.06 0.00 0.00 33.84 32.92 1qwm n VAL 280 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1qwm n THR 281 N -1.08 0.26 -4.24 1.55 -2.24 -1.26 -0.78 114.28 106.49 1qwm n THR 281 Ca 0.16 -0.33 -0.18 0.00 -2.27 0.00 0.00 64.05 61.44 1qwm n THR 281 Cb 0.11 0.23 -0.11 0.00 -2.10 0.00 0.00 70.33 68.47 1qwm n THR 281 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1qwm s LYS 282 N -1.74 1.01 0.46 -0.78 1.02 -0.14 -4.75 119.74 114.83 1qwm s LYS 282 Ca 0.27 -1.24 0.07 0.00 0.02 0.00 0.00 55.97 55.09 1qwm s LYS 282 Cb 0.14 -0.87 0.00 0.00 -0.52 0.00 0.00 37.83 36.59 1qwm s LYS 282 CO 0.21 0.16 0.40 0.96 -0.92 0.00 0.00 175.35 176.16 1qwm s ILE 283 N -2.20 2.30 -0.17 2.17 -4.36 -1.26 -4.84 121.20 112.84 1qwm s ILE 283 Ca 0.09 -1.40 -0.16 0.00 -0.26 0.00 0.00 60.65 58.92 1qwm s ILE 283 Cb -0.04 -2.69 -0.04 0.00 1.25 0.00 0.00 42.46 40.93 1qwm s ILE 283 CO 0.03 0.00 0.40 0.26 0.24 0.00 0.00 174.94 175.86 1qwm s TRP 284 N -2.58 3.43 0.30 1.37 0.51 -1.26 -4.99 118.94 115.72 1qwm s TRP 284 Ca 0.44 0.69 -0.30 0.00 -2.12 0.00 0.00 56.10 54.81 1qwm s TRP 284 Cb -0.02 -2.49 -0.11 0.00 -0.81 0.00 0.00 33.47 30.03 1qwm s TRP 284 CO 0.26 0.09 1.56 0.71 -0.51 0.00 0.00 176.95 179.06 1qwm s TYR 285 N 0.93 2.75 0.27 -1.98 1.51 -1.26 -4.84 117.35 114.74 1qwm s TYR 285 Ca 0.20 0.88 0.30 0.00 -1.01 0.00 0.00 57.07 57.45 1qwm s TYR 285 Cb -0.14 -4.03 1.37 0.00 -0.11 0.00 0.00 41.96 39.04 1qwm s TYR 285 CO 0.08 -3.37 2.01 1.79 -1.11 0.00 0.00 175.55 174.94 1qwm h THR 286 N 3.32 0.36 -0.81 -0.71 1.35 -1.98 -0.29 112.91 114.15 1qwm h THR 286 Ca -0.48 -0.65 0.06 0.00 -0.55 0.00 0.00 66.41 64.79 1qwm h THR 286 Cb 1.22 1.48 -0.05 0.00 -1.73 0.00 0.00 68.15 69.07 1qwm h THR 286 CO 0.76 0.11 0.53 0.06 -0.25 0.00 0.00 175.52 176.73 1qwm h GLN 287 N 0.00 0.87 0.17 4.72 3.07 -2.00 -2.70 115.11 119.24 1qwm h GLN 287 Ca -0.00 -0.05 -0.36 0.00 0.09 0.00 0.00 58.65 58.33 1qwm h GLN 287 Cb 0.47 -0.20 0.00 0.00 0.08 0.00 0.00 27.48 27.84 1qwm h GLN 287 CO 0.01 0.58 -1.84 -0.44 0.09 0.00 0.00 178.83 177.23 1qwm h ASP 288 N 0.90 0.56 -3.15 0.06 3.45 -1.63 -3.43 116.42 113.18 1qwm h ASP 288 Ca 0.35 -0.95 -0.59 0.00 0.43 0.00 0.00 57.03 56.27 1qwm h ASP 288 Cb 0.21 -0.18 -0.40 0.00 -0.56 0.00 0.00 39.33 38.40 1qwm h ASP 288 CO -0.12 1.82 -0.77 -0.31 -1.57 0.00 0.00 179.24 178.28 1qwm s TYR 289 N -2.57 1.50 0.62 4.55 2.02 -0.23 -5.07 117.35 118.17 1qwm s TYR 289 Ca -0.18 -2.00 -0.18 0.00 -0.37 0.00 0.00 57.07 54.34 1qwm s TYR 289 Cb 0.06 -1.54 -0.02 0.00 -0.40 0.00 0.00 41.96 40.05 1qwm s TYR 289 CO 0.83 -0.82 1.18 -2.14 -1.57 0.00 0.00 175.55 173.04 1qwm s PRO 290 N 0.88 2.87 0.28 -1.71 0.02 -1.02 -4.25 135.00 132.06 1qwm s PRO 290 Ca 0.16 1.73 -0.29 0.00 0.02 0.00 0.00 61.00 62.61 1qwm s PRO 290 Cb -0.22 -1.93 -0.10 0.00 0.02 0.00 0.00 34.50 32.27 1qwm s PRO 290 CO -0.06 -1.26 1.31 -0.51 -0.33 0.00 0.00 177.00 176.15 1qwm s LEU 291 N -4.31 4.43 -0.12 -5.54 1.43 -1.26 -4.54 118.68 108.77 1qwm s LEU 291 Ca 0.75 2.57 0.02 0.00 -1.03 0.00 0.00 54.13 56.44 1qwm s LEU 291 Cb -0.28 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.32 1qwm s LEU 291 CO 0.35 -0.52 -0.18 -0.04 0.23 0.00 0.00 176.35 176.19 1qwm s MET 292 N -1.07 2.58 0.33 1.70 -1.94 0.31 -4.92 119.30 116.28 1qwm s MET 292 Ca 0.52 -0.69 -0.29 0.00 -1.71 0.00 0.00 55.69 53.52 1qwm s MET 292 Cb -0.38 -2.14 -0.11 0.00 2.01 0.00 0.00 34.83 34.21 1qwm s MET 292 CO 0.46 -0.04 1.47 -2.00 -0.01 0.00 0.00 175.02 174.89 1qwm s GLU 293 N 0.92 4.19 -0.01 2.03 2.12 -1.26 -0.22 118.70 126.46 1qwm s GLU 293 Ca -0.07 2.46 -0.00 0.00 0.36 0.00 0.00 54.97 57.72 1qwm s GLU 293 Cb -0.15 -3.02 -0.00 0.00 0.26 0.00 0.00 34.13 31.21 1qwm s GLU 293 CO -0.02 -0.47 -0.01 0.28 -0.54 0.00 0.00 175.26 174.51 1qwm n VAL 294 N 1.19 0.03 -3.86 3.70 0.31 0.39 -4.59 118.33 115.51 1qwm n VAL 294 Ca 0.03 -0.01 0.01 0.00 -0.01 0.00 0.00 64.34 64.36 1qwm n VAL 294 Cb 0.39 -1.28 0.01 0.00 -0.91 0.00 0.00 33.84 32.05 1qwm n VAL 294 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qwm n GLY 295 N 3.08 0.56 3.00 2.92 0.00 -1.07 -0.81 105.19 112.87 1qwm n GLY 295 Ca -0.01 -0.93 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 1qwm n GLY 295 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qwm s ILE 296 N -2.14 0.82 -0.09 -0.61 1.01 -0.02 0.08 121.20 120.25 1qwm s ILE 296 Ca 0.11 -0.37 -0.02 0.00 0.00 0.00 0.00 60.65 60.37 1qwm s ILE 296 Cb -0.00 -0.74 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 1qwm s ILE 296 CO 0.00 0.26 -0.01 0.54 0.00 0.00 0.00 174.94 175.73 1qwm s VAL 297 N 0.26 4.19 -0.12 2.92 0.11 0.16 -0.99 120.40 126.94 1qwm s VAL 297 Ca -0.04 -0.29 0.01 0.00 -2.93 0.00 0.00 61.98 58.73 1qwm s VAL 297 Cb -0.10 -2.76 0.02 0.00 -1.53 0.00 0.00 36.38 32.01 1qwm s VAL 297 CO 0.01 0.60 -0.14 -0.70 -3.33 0.00 0.00 175.10 171.54 1qwm s GLU 298 N -0.79 2.11 -0.17 1.54 2.12 -0.42 -1.07 118.70 122.03 1qwm s GLU 298 Ca 0.12 -0.51 -0.16 0.00 0.36 0.00 0.00 54.97 54.78 1qwm s GLU 298 Cb -0.11 -1.87 -0.04 0.00 0.26 0.00 0.00 34.13 32.36 1qwm s GLU 298 CO 0.02 -0.13 0.39 -0.51 -0.54 0.00 0.00 175.26 174.50 1qwm s LEU 299 N 1.18 4.21 0.00 2.70 1.43 -0.44 -0.83 118.68 126.93 1qwm s LEU 299 Ca -0.03 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 1qwm s LEU 299 Cb -0.14 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.55 1qwm s LEU 299 CO -0.04 -0.01 0.47 -0.46 0.23 0.00 0.00 176.35 176.53 1qwm n ASN 300 N 4.05 0.00 -3.68 2.29 0.23 0.17 -3.64 115.26 114.67 1qwm n ASN 300 Ca -0.09 -1.11 -0.12 0.00 -0.53 0.00 0.00 54.58 52.73 1qwm n ASN 300 Cb 0.51 -0.02 -0.12 0.00 -2.08 0.00 0.00 39.78 38.07 1qwm n ASN 300 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1qwm s LYS 301 N 0.00 0.22 0.29 -3.83 2.20 -0.81 -5.00 119.74 112.81 1qwm s LYS 301 Ca 0.00 0.75 -0.24 0.00 -0.36 0.00 0.00 55.97 56.12 1qwm s LYS 301 Cb 0.00 0.01 -0.09 0.00 -1.51 0.00 0.00 37.83 36.23 1qwm s LYS 301 CO 0.00 -0.23 0.88 -0.80 -0.36 0.00 0.00 175.35 174.84 1qwm s ASN 302 N 2.04 7.27 0.73 1.43 0.01 -1.26 -0.97 114.94 124.19 1qwm s ASN 302 Ca -0.03 1.72 -0.15 0.00 -0.71 0.00 0.00 52.86 53.69 1qwm s ASN 302 Cb -0.11 -2.53 0.04 0.00 0.41 0.00 0.00 41.25 39.05 1qwm s ASN 302 CO -0.10 -0.03 1.22 -2.84 -1.51 0.00 0.00 177.10 173.85 1qwm s PRO 303 N -1.99 2.10 0.04 -0.60 0.02 -1.26 -4.92 135.00 128.39 1qwm s PRO 303 Ca 0.48 1.81 -0.14 0.00 0.02 0.00 0.00 61.00 63.16 1qwm s PRO 303 Cb -0.18 -1.82 -0.34 0.00 0.02 0.00 0.00 34.50 32.17 1qwm s PRO 303 CO 0.23 -1.88 1.03 0.93 -0.33 0.00 0.00 177.00 176.98 1qwm h GLU 304 N -0.29 0.52 -3.89 5.54 5.08 -2.00 -3.44 114.58 116.10 1qwm h GLU 304 Ca -0.48 -0.87 -0.49 0.00 -1.00 0.00 0.00 59.36 56.52 1qwm h GLU 304 Cb 1.30 0.32 -0.38 0.00 0.50 0.00 0.00 28.75 30.49 1qwm h GLU 304 CO 0.49 1.41 -0.78 1.21 -1.00 0.00 0.00 179.01 180.35 1qwm s ASN 305 N -7.52 2.19 0.11 1.42 3.84 -1.26 -5.04 114.94 108.67 1qwm s ASN 305 Ca -0.08 -0.37 -0.24 0.00 0.21 0.00 0.00 52.86 52.37 1qwm s ASN 305 Cb 0.05 -0.65 -0.09 0.00 -0.55 0.00 0.00 41.25 40.00 1qwm s ASN 305 CO 0.94 -0.19 1.69 0.22 -2.79 0.00 0.00 177.10 176.97 1qwm h TYR 306 N 8.24 -0.29 -0.31 0.43 3.20 -1.98 -2.05 116.97 124.21 1qwm h TYR 306 Ca -0.22 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.65 1qwm h TYR 306 Cb 1.12 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 1qwm h TYR 306 CO 0.44 -0.17 0.18 0.35 -1.64 0.00 0.00 178.16 177.32 1qwm h PHE 307 N -0.21 0.40 -0.03 -3.82 3.04 -1.96 0.24 116.94 114.61 1qwm h PHE 307 Ca 0.03 -0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.86 1qwm h PHE 307 Cb 0.25 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.61 1qwm h PHE 307 CO -0.16 0.30 -0.54 0.00 -2.02 0.00 0.00 178.31 175.89 1qwm h ALA 308 N 1.07 1.05 0.00 2.41 0.00 -1.95 -1.63 119.26 120.21 1qwm h ALA 308 Ca 0.11 -0.49 -0.26 0.00 0.00 0.00 0.00 54.91 54.27 1qwm h ALA 308 Cb 0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1qwm h ALA 308 CO -0.02 0.68 -1.98 0.39 0.00 0.00 0.00 179.25 178.32 1qwm n GLU 309 N -3.91 1.00 -0.12 0.00 1.02 -0.78 -4.30 120.64 113.56 1qwm n GLU 309 Ca -0.02 0.06 -0.21 0.00 -0.02 0.00 0.00 57.16 56.97 1qwm n GLU 309 Cb 0.56 -1.35 -0.08 0.00 -0.02 0.00 0.00 31.44 30.55 1qwm n GLU 309 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1qwm n VAL 310 N -2.80 1.51 -0.26 2.62 0.31 0.74 -3.70 118.33 116.76 1qwm n VAL 310 Ca -0.27 -0.15 -0.04 0.00 -0.01 0.00 0.00 64.34 63.87 1qwm n VAL 310 Cb 0.88 -2.07 0.13 0.00 -0.91 0.00 0.00 33.84 31.87 1qwm n VAL 310 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1qwm h GLU 311 N -1.00 1.10 -0.01 5.55 4.57 -1.00 -2.47 114.58 121.33 1qwm h GLU 311 Ca -0.41 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 57.61 1qwm h GLU 311 Cb 1.32 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1qwm h GLU 311 CO -0.25 0.86 -0.02 1.04 -1.18 0.00 0.00 179.01 179.46 1qwm n GLN 312 N -4.31 1.14 -1.95 1.92 6.02 -0.63 -4.90 117.38 114.67 1qwm n GLN 312 Ca 0.07 -0.37 -0.41 0.00 -0.01 0.00 0.00 57.00 56.29 1qwm n GLN 312 Cb 0.15 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 29.90 1qwm n GLN 312 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qwm s ALA 313 N -2.11 3.55 -0.06 -1.58 0.00 -0.93 -4.89 121.76 115.74 1qwm s ALA 313 Ca 0.40 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.79 1qwm s ALA 313 Cb 0.21 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.81 1qwm s ALA 313 CO 0.38 -0.86 -0.04 0.00 0.00 0.00 0.00 175.76 175.24 1qwm s ALA 314 N -1.05 0.79 -0.00 0.00 0.00 -1.26 -5.03 121.76 115.19 1qwm s ALA 314 Ca 0.52 -0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.40 1qwm s ALA 314 Cb -0.43 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 1qwm s ALA 314 CO 0.57 -0.15 -0.23 -0.06 0.00 0.00 0.00 175.76 175.90 1qwm s PHE 315 N 1.22 2.06 -0.03 0.00 0.40 -1.26 -4.96 117.98 115.41 1qwm s PHE 315 Ca -0.06 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 55.89 1qwm s PHE 315 Cb -0.14 -1.31 0.01 0.00 0.51 0.00 0.00 43.02 42.10 1qwm s PHE 315 CO -0.02 -0.01 -0.03 -0.08 0.70 0.00 0.00 175.22 175.79 1qwm s THR 316 N -0.59 0.37 0.55 0.64 -1.32 -1.26 -4.85 115.64 109.18 1qwm s THR 316 Ca 0.09 -0.09 0.34 0.00 -1.21 0.00 0.00 61.69 60.83 1qwm s THR 316 Cb -0.09 -0.39 0.34 0.00 -1.51 0.00 0.00 72.50 70.85 1qwm s THR 316 CO -0.00 0.16 2.05 -0.65 -2.21 0.00 0.00 174.62 173.96 1qwm h PRO 317 N 6.80 0.00 0.00 7.08 0.11 -1.83 -1.14 132.00 143.01 1qwm h PRO 317 Ca -0.36 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.73 1qwm h PRO 317 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1qwm h PRO 317 CO 0.49 0.00 -0.09 0.00 -0.21 0.00 0.00 178.00 178.19 1qwm h ALA 318 N 1.65 1.24 -0.85 -0.75 0.00 -1.84 -3.38 119.26 115.32 1qwm h ALA 318 Ca 0.00 -0.08 -0.65 0.00 0.00 0.00 0.00 54.91 54.18 1qwm h ALA 318 Cb 0.33 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 1qwm h ALA 318 CO 0.00 0.11 2.08 -0.80 0.00 0.00 0.00 179.25 180.64 1qwm s ASN 319 N -6.00 6.69 0.59 0.00 0.01 -0.43 -4.93 114.94 110.86 1qwm s ASN 319 Ca -0.03 -2.32 0.09 0.00 -0.71 0.00 0.00 52.86 49.89 1qwm s ASN 319 Cb 0.13 -2.58 0.09 0.00 0.41 0.00 0.00 41.25 39.30 1qwm s ASN 319 CO 0.56 -1.33 0.76 0.68 -1.51 0.00 0.00 177.10 176.27 1qwm s VAL 320 N 4.75 1.99 0.12 1.60 -7.23 -1.26 -1.21 120.40 119.16 1qwm s VAL 320 Ca 0.54 -1.06 0.03 0.00 -1.81 0.00 0.00 61.98 59.68 1qwm s VAL 320 Cb 0.03 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 1qwm s VAL 320 CO 0.07 0.00 -0.09 0.68 -0.31 0.00 0.00 175.10 175.45 1qwm s VAL 321 N -2.71 0.94 0.21 1.32 -7.23 -1.26 -4.82 120.40 106.85 1qwm s VAL 321 Ca 0.59 -1.96 -0.32 0.00 -1.81 0.00 0.00 61.98 58.48 1qwm s VAL 321 Cb -0.05 -1.72 -0.14 0.00 0.56 0.00 0.00 36.38 35.03 1qwm s VAL 321 CO 0.37 -0.78 1.28 -2.65 -0.31 0.00 0.00 175.10 173.02 1qwm n PRO 322 N -0.04 1.62 0.00 4.82 -0.02 -1.26 -1.24 135.00 138.87 1qwm n PRO 322 Ca -0.12 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1qwm n PRO 322 Cb 0.60 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1qwm n PRO 322 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qwm n GLY 323 N 2.06 1.30 3.01 -1.23 0.00 -1.26 -3.55 105.19 105.51 1qwm n GLY 323 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1qwm n GLY 323 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qwm s ILE 324 N -2.37 0.75 0.05 -0.61 1.01 -0.38 -1.10 121.20 118.56 1qwm s ILE 324 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1qwm s ILE 324 Cb 0.00 -0.65 -0.00 0.00 0.01 0.00 0.00 42.46 41.81 1qwm s ILE 324 CO 0.00 0.23 0.05 0.61 0.00 0.00 0.00 174.94 175.82 1qwm n GLY 325 N 3.13 3.77 0.00 6.18 0.00 -0.09 -4.13 105.19 114.05 1qwm n GLY 325 Ca -0.16 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1qwm n GLY 325 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qwm n TYR 326 N -0.09 -2.49 -4.08 1.61 0.53 -1.26 -1.55 117.16 109.83 1qwm n TYR 326 Ca 0.01 0.00 -0.10 0.00 -1.02 0.00 0.00 57.90 56.79 1qwm n TYR 326 Cb 0.09 0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 38.33 1qwm n TYR 326 CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 1qwm s SER 327 N -1.00 0.03 0.00 7.72 1.04 -1.26 -2.88 113.70 117.34 1qwm s SER 327 Ca 0.00 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.32 1qwm s SER 327 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1qwm s SER 327 CO 0.00 -0.99 0.78 -0.81 0.98 0.00 0.00 173.24 173.20 1qwm n PRO 328 N -0.31 0.99 -1.84 4.02 -0.04 -1.26 -4.62 135.00 131.94 1qwm n PRO 328 Ca -0.01 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.03 1qwm n PRO 328 Cb 0.64 -1.22 -0.03 0.00 -0.04 0.00 0.00 33.50 32.85 1qwm n PRO 328 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1qwm s ASP 329 N 0.57 6.56 0.36 3.54 -1.08 -1.26 -4.88 116.67 120.48 1qwm s ASP 329 Ca 0.00 2.48 0.04 0.00 -0.52 0.00 0.00 52.55 54.54 1qwm s ASP 329 Cb 0.00 -2.54 0.70 0.00 -1.46 0.00 0.00 42.92 39.62 1qwm s ASP 329 CO 0.00 -0.98 2.01 0.03 0.52 0.00 0.00 175.17 176.75 1qwm h ARG 330 N 9.79 0.76 0.10 4.34 3.08 -1.76 -0.24 114.38 130.45 1qwm h ARG 330 Ca -0.44 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.56 1qwm h ARG 330 Cb 1.21 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1qwm h ARG 330 CO 0.94 0.50 -0.05 0.52 -1.07 0.00 0.00 179.97 180.82 1qwm h MET 331 N 0.78 -0.13 -0.70 0.04 2.86 -1.90 -2.11 114.93 113.77 1qwm h MET 331 Ca 0.23 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.98 1qwm h MET 331 Cb -0.02 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.60 1qwm h MET 331 CO -0.06 0.28 0.33 1.25 1.06 0.00 0.00 176.91 179.77 1qwm h LEU 332 N -0.58 0.40 -0.47 1.22 5.85 -1.84 -1.36 115.31 118.54 1qwm h LEU 332 Ca -0.01 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1qwm h LEU 332 Cb 0.47 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1qwm h LEU 332 CO 0.02 0.22 0.24 1.56 -0.34 0.00 0.00 178.44 180.15 1qwm h GLN 333 N 0.55 0.47 -0.46 1.25 1.08 -0.97 -1.95 115.11 115.08 1qwm h GLN 333 Ca 0.35 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.49 1qwm h GLN 333 Cb 0.40 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 1qwm h GLN 333 CO -0.29 0.31 0.15 0.78 -0.95 0.00 0.00 178.83 178.83 1qwm h GLY 334 N 0.48 0.73 2.00 3.46 0.00 -0.93 -2.67 103.07 106.14 1qwm h GLY 334 Ca 0.20 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 1qwm h GLY 334 CO -0.13 0.36 -0.20 3.21 0.00 0.00 0.00 176.54 179.77 1qwm h ARG 335 N 0.67 0.00 -0.50 4.80 3.08 -0.52 -2.00 114.38 119.91 1qwm h ARG 335 Ca 0.16 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.31 1qwm h ARG 335 Cb 0.19 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1qwm h ARG 335 CO -0.01 0.20 0.34 -0.07 -1.07 0.00 0.00 179.97 179.36 1qwm h LEU 336 N 0.00 0.22 0.00 3.04 3.38 -1.05 -2.83 115.31 118.07 1qwm h LEU 336 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1qwm h LEU 336 Cb 0.38 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1qwm h LEU 336 CO 0.03 0.14 -0.57 0.15 0.09 0.00 0.00 178.44 178.27 1qwm h PHE 337 N 0.25 0.00 -0.39 1.13 3.57 -1.50 -3.42 116.94 116.58 1qwm h PHE 337 Ca 0.23 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 1qwm h PHE 337 Cb 0.59 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1qwm h PHE 337 CO -0.00 1.10 -0.01 0.66 -2.23 0.00 0.00 178.31 177.83 1qwm h SER 338 N -1.00 0.59 0.02 0.41 4.64 -1.19 -2.52 113.55 114.51 1qwm h SER 338 Ca -0.15 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1qwm h SER 338 Cb 1.05 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1qwm h SER 338 CO -0.09 0.67 -0.01 1.88 -0.87 0.00 0.00 176.83 178.41 1qwm h TYR 339 N 0.59 -0.03 -0.62 4.77 0.05 -1.78 -0.43 116.97 119.53 1qwm h TYR 339 Ca 0.12 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.91 1qwm h TYR 339 Cb 0.39 0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.11 1qwm h TYR 339 CO 0.02 0.60 0.41 0.78 -1.05 0.00 0.00 178.16 178.92 1qwm h GLY 340 N -0.68 0.87 0.93 3.88 0.00 -1.81 0.23 103.07 106.49 1qwm h GLY 340 Ca -0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1qwm h GLY 340 CO 0.00 0.32 -0.02 -1.80 0.00 0.00 0.00 176.54 175.04 1qwm h ASP 341 N 0.83 -0.05 0.44 0.19 3.58 -1.30 -2.00 116.42 118.12 1qwm h ASP 341 Ca 0.23 -0.06 -0.13 0.00 0.42 0.00 0.00 57.03 57.48 1qwm h ASP 341 Cb -0.09 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 1qwm h ASP 341 CO -0.05 0.03 -0.57 0.00 -2.88 0.00 0.00 179.24 175.77 1qwm h THR 342 N -0.13 1.39 -0.53 2.25 1.03 -0.69 -2.90 112.91 113.34 1qwm h THR 342 Ca -0.01 -1.93 0.01 0.00 -0.01 0.00 0.00 66.41 64.48 1qwm h THR 342 Cb 0.11 1.99 -0.03 0.00 -1.07 0.00 0.00 68.15 69.16 1qwm h THR 342 CO 0.01 0.56 0.35 0.45 -0.01 0.00 0.00 175.52 176.88 1qwm h HIS 343 N 0.10 0.66 -0.73 0.00 3.86 -0.76 0.12 115.15 118.39 1qwm h HIS 343 Ca -0.00 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1qwm h HIS 343 Cb 1.04 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 29.25 1qwm h HIS 343 CO 0.01 0.41 0.40 0.00 0.86 0.00 0.00 177.93 179.62 1qwm h ARG 344 N 0.71 1.01 -0.04 2.45 3.08 -1.17 0.51 114.38 120.94 1qwm h ARG 344 Ca 0.20 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1qwm h ARG 344 Cb -0.07 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.77 1qwm h ARG 344 CO -0.05 0.74 -0.01 -0.92 -1.07 0.00 0.00 179.97 178.66 1qwm h TYR 345 N 1.02 0.09 0.00 3.04 3.20 -1.32 -1.75 116.97 121.26 1qwm h TYR 345 Ca 0.26 -0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.94 1qwm h TYR 345 Cb 0.02 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1qwm h TYR 345 CO 0.01 0.45 -0.81 -0.09 -1.64 0.00 0.00 178.16 176.07 1qwm h ARG 346 N -0.30 0.00 0.00 1.82 2.43 -0.56 -3.37 114.38 114.40 1qwm h ARG 346 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1qwm h ARG 346 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1qwm h ARG 346 CO 0.00 0.81 -0.68 1.28 -1.51 0.00 0.00 179.97 179.88 1qwm n LEU 347 N -3.57 0.00 0.00 3.80 4.77 0.15 -4.55 117.00 117.60 1qwm n LEU 347 Ca -0.01 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1qwm n LEU 347 Cb 0.78 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 1qwm n LEU 347 CO 0.45 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1qwm n GLY 348 N 1.96 2.35 0.31 -0.72 0.00 -0.66 -4.53 105.19 103.90 1qwm n GLY 348 Ca 0.00 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.40 1qwm n GLY 348 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1qwm h VAL 349 N 0.00 0.81 -0.74 1.61 3.04 -1.86 -1.83 116.25 117.29 1qwm h VAL 349 Ca 0.00 0.00 -0.30 0.00 -1.01 0.00 0.00 66.70 65.39 1qwm h VAL 349 Cb 0.00 0.90 -0.18 0.00 -2.01 0.00 0.00 31.29 30.00 1qwm h VAL 349 CO 0.00 0.00 0.38 0.59 -1.01 0.00 0.00 177.57 177.53 1qwm n ASN 350 N -4.33 4.08 -0.00 3.17 3.02 -1.26 -4.52 115.26 115.43 1qwm n ASN 350 Ca 0.01 -3.19 0.22 0.00 -0.03 0.00 0.00 54.58 51.60 1qwm n ASN 350 Cb 0.26 -0.75 0.72 0.00 -0.61 0.00 0.00 39.78 39.41 1qwm n ASN 350 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1qwm h TYR 351 N 1.65 0.00 0.00 3.10 -0.00 -1.56 0.11 116.97 120.27 1qwm h TYR 351 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.10 1qwm h TYR 351 Cb 2.34 0.00 0.00 0.00 0.00 0.00 0.00 36.73 39.07 1qwm h TYR 351 CO 1.23 0.00 0.00 -2.30 -0.00 0.00 0.00 178.16 177.09 1qwm n PRO 352 N -4.05 0.03 0.00 0.10 -0.02 -1.26 -1.67 135.00 128.13 1qwm n PRO 352 Ca 0.11 0.42 0.14 0.00 -2.02 0.00 0.00 63.50 62.14 1qwm n PRO 352 Cb 0.70 -1.58 0.47 0.00 -0.02 0.00 0.00 33.50 33.07 1qwm n PRO 352 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1qwm n GLN 353 N -1.64 1.19 -2.58 -0.52 6.02 0.39 -3.31 117.38 116.91 1qwm n GLN 353 Ca 0.01 -0.66 -0.41 0.00 -0.01 0.00 0.00 57.00 55.93 1qwm n GLN 353 Cb 0.09 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.82 1qwm n GLN 353 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1qwm s ILE 354 N -2.27 4.09 0.22 5.09 1.01 -0.67 -4.88 121.20 123.79 1qwm s ILE 354 Ca 0.31 1.77 -0.11 0.00 0.00 0.00 0.00 60.65 62.62 1qwm s ILE 354 Cb 0.20 -4.13 0.24 0.00 0.01 0.00 0.00 42.46 38.79 1qwm s ILE 354 CO 0.43 0.29 1.64 -0.65 0.00 0.00 0.00 174.94 176.64 1qwm h PRO 355 N 5.34 0.06 0.00 2.79 0.11 -1.89 0.11 132.00 138.52 1qwm h PRO 355 Ca -0.44 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1qwm h PRO 355 Cb 1.21 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1qwm h PRO 355 CO 0.73 0.04 -0.04 -0.24 -0.21 0.00 0.00 178.00 178.28 1qwm h VAL 356 N 0.06 0.62 0.00 3.15 3.04 -1.89 -2.64 116.25 118.58 1qwm h VAL 356 Ca 0.34 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.89 1qwm h VAL 356 Cb 0.56 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.93 1qwm h VAL 356 CO -0.63 0.03 -0.83 0.59 -1.01 0.00 0.00 177.57 175.73 1qwm n ASN 357 N -3.90 0.64 -4.77 3.17 3.02 0.33 -4.95 115.26 108.79 1qwm n ASN 357 Ca -0.03 -0.30 -0.38 0.00 -0.03 0.00 0.00 54.58 53.84 1qwm n ASN 357 Cb 0.12 0.60 -0.01 0.00 -0.61 0.00 0.00 39.78 39.88 1qwm n ASN 357 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1qwm s LYS 358 N -3.11 3.98 0.70 3.52 1.02 -0.93 -4.81 119.74 120.12 1qwm s LYS 358 Ca 0.07 1.90 -0.14 0.00 0.02 0.00 0.00 55.97 57.82 1qwm s LYS 358 Cb 0.15 -2.65 0.02 0.00 -0.52 0.00 0.00 37.83 34.83 1qwm s LYS 358 CO 0.77 -0.40 1.13 -1.25 -0.92 0.00 0.00 175.35 174.68 1qwm s PRO 359 N -2.34 2.51 0.00 -1.68 0.04 -1.26 -4.95 135.00 127.31 1qwm s PRO 359 Ca 0.58 1.44 0.22 0.00 0.04 0.00 0.00 61.00 63.28 1qwm s PRO 359 Cb -0.32 -1.91 0.27 0.00 0.04 0.00 0.00 34.50 32.58 1qwm s PRO 359 CO 0.40 -1.49 1.27 0.54 0.04 0.00 0.00 177.00 177.76 1qwm n ARG 360 N -2.72 2.22 -4.16 4.56 3.00 -1.26 -4.96 116.66 113.33 1qwm n ARG 360 Ca 0.11 -1.98 -0.26 0.00 -0.01 0.00 0.00 57.85 55.71 1qwm n ARG 360 Cb 0.52 -1.45 -0.06 0.00 0.00 0.00 0.00 32.46 31.47 1qwm n ARG 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1qwm n PRO 362 N -1.32 1.31 -3.77 0.00 -0.02 -1.26 -5.03 135.00 124.91 1qwm n PRO 362 Ca -0.03 0.50 -0.13 0.00 -2.02 0.00 0.00 63.50 61.82 1qwm n PRO 362 Cb 0.65 -2.55 -0.12 0.00 -0.02 0.00 0.00 33.50 31.45 1qwm n PRO 362 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1qwm s PHE 363 N -1.35 -0.31 -0.31 6.00 -0.12 -1.26 -4.95 117.98 115.68 1qwm s PHE 363 Ca 0.79 0.74 0.00 0.00 -0.05 0.00 0.00 56.93 58.42 1qwm s PHE 363 Cb -0.39 0.09 0.14 0.00 -0.63 0.00 0.00 43.02 42.23 1qwm s PHE 363 CO 0.43 -0.17 0.31 -1.01 -0.05 0.00 0.00 175.22 174.73 1qwm s HIS 364 N 0.45 -0.43 -0.02 3.49 0.09 -1.26 -5.11 115.29 112.51 1qwm s HIS 364 Ca -0.03 -0.31 -0.01 0.00 -0.00 0.00 0.00 55.06 54.71 1qwm s HIS 364 Cb -0.04 -0.45 -0.04 0.00 -0.00 0.00 0.00 32.58 32.05 1qwm s HIS 364 CO -0.02 -0.93 0.09 0.45 -0.00 0.00 0.00 174.74 174.32 1qwm s SER 365 N 2.17 5.77 0.00 1.40 0.15 -1.26 -5.00 113.70 116.92 1qwm s SER 365 Ca 0.11 0.19 0.24 0.00 0.70 0.00 0.00 55.95 57.19 1qwm s SER 365 Cb -0.14 -1.69 1.18 0.00 -1.71 0.00 0.00 66.02 63.66 1qwm s SER 365 CO -0.27 0.29 1.80 -1.54 1.20 0.00 0.00 173.24 174.72 1qwm n SER 366 N 1.29 0.00 -4.73 5.45 3.41 -1.26 -4.85 113.62 112.93 1qwm n SER 366 Ca -0.14 0.07 -0.35 0.00 -0.26 0.00 0.00 58.87 58.20 1qwm n SER 366 Cb 0.53 -0.34 0.07 0.00 -0.26 0.00 0.00 64.21 64.22 1qwm n SER 366 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1qwm s SER 367 N -2.67 4.53 0.02 4.04 0.01 -1.26 -4.81 113.70 113.56 1qwm s SER 367 Ca 0.20 2.33 -0.10 0.00 1.31 0.00 0.00 55.95 59.70 1qwm s SER 367 Cb 0.16 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.81 1qwm s SER 367 CO 0.39 -2.03 0.20 -0.13 0.41 0.00 0.00 173.24 172.07 1qwm s ARG 368 N -3.79 0.64 3.64 12.44 1.81 -1.26 -5.07 118.95 127.37 1qwm s ARG 368 Ca 0.74 -0.51 0.00 0.00 -1.72 0.00 0.00 55.73 54.24 1qwm s ARG 368 Cb -0.29 0.27 0.00 0.00 -0.45 0.00 0.00 34.95 34.48 1qwm s ARG 368 CO 0.42 -0.18 0.00 -0.25 -0.68 0.00 0.00 175.30 174.61 1qwm n ASP 369 N 0.94 0.00 -0.14 0.23 8.00 -1.26 -5.06 116.55 119.27 1qwm n ASP 369 Ca -0.20 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.32 1qwm n ASP 369 Cb 0.58 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.67 1qwm n ASP 369 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qwm n GLY 370 N 0.00 -1.88 3.74 0.44 0.00 -1.26 -4.67 105.19 101.56 1qwm n GLY 370 Ca 0.00 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 1qwm n GLY 370 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qwm n TYR 371 N -2.42 2.76 -3.63 1.61 4.02 -1.26 -3.32 117.16 114.92 1qwm n TYR 371 Ca -0.00 0.35 -0.23 0.00 -0.01 0.00 0.00 57.90 58.01 1qwm n TYR 371 Cb 0.06 -2.55 0.07 0.00 -0.02 0.00 0.00 39.34 36.90 1qwm n TYR 371 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1qwm n MET 372 N 1.54 -6.96 -2.68 -0.72 2.81 -1.26 -4.33 117.12 105.52 1qwm n MET 372 Ca 0.07 0.77 -0.42 0.00 -1.81 0.00 0.00 57.70 56.31 1qwm n MET 372 Cb 0.37 -5.75 -0.03 0.00 -0.71 0.00 0.00 33.22 27.10 1qwm n MET 372 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1qwm s GLN 373 N -6.13 4.54 0.17 0.03 2.00 -1.21 -4.94 119.66 114.13 1qwm s GLN 373 Ca 0.42 1.45 0.26 0.00 -2.00 0.00 0.00 55.36 55.49 1qwm s GLN 373 Cb -0.19 -3.46 0.82 0.00 0.80 0.00 0.00 33.01 30.98 1qwm s GLN 373 CO 0.76 -0.08 1.75 0.27 -0.50 0.00 0.00 175.29 177.49 1qwm n ASN 374 N 3.97 0.70 -1.22 6.67 0.23 -1.26 -4.96 115.26 119.39 1qwm n ASN 374 Ca 0.06 0.52 -0.10 0.00 -0.53 0.00 0.00 54.58 54.53 1qwm n ASN 374 Cb 0.50 -0.67 -0.00 0.00 -2.08 0.00 0.00 39.78 37.53 1qwm n ASN 374 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qwm n GLY 375 N 1.34 -0.05 0.31 4.83 0.00 -1.26 -4.91 105.19 105.45 1qwm n GLY 375 Ca 0.06 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.76 1qwm n GLY 375 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1qwm h TYR 376 N -0.06 0.05 0.00 1.61 -0.00 -2.01 -1.49 116.97 115.07 1qwm h TYR 376 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.48 1qwm h TYR 376 Cb 1.18 -0.02 0.00 0.00 -0.00 0.00 0.00 36.73 37.89 1qwm h TYR 376 CO 0.27 0.03 0.00 2.48 -0.00 0.00 0.00 178.16 180.94 1qwm n TYR 377 N -4.48 0.00 0.00 0.10 0.18 -1.26 -4.97 117.16 106.73 1qwm n TYR 377 Ca 0.03 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.81 1qwm n TYR 377 Cb 0.29 -0.38 0.00 0.00 -0.38 0.00 0.00 39.34 38.87 1qwm n TYR 377 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1qwm n GLY 378 N 1.18 3.20 0.89 -7.48 0.00 -0.56 -2.11 105.19 100.30 1qwm n GLY 378 Ca 0.10 0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.26 1qwm n GLY 378 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qwm n SER 379 N 4.09 2.57 -4.76 1.61 7.64 -1.26 -4.99 113.62 118.51 1qwm n SER 379 Ca 0.00 -2.03 -0.39 0.00 1.01 0.00 0.00 58.87 57.46 1qwm n SER 379 Cb 0.00 -0.33 0.02 0.00 -1.01 0.00 0.00 64.21 62.89 1qwm n SER 379 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1qwm s LEU 380 N -1.03 4.07 0.61 -3.43 2.96 -0.90 -4.92 118.68 116.04 1qwm s LEU 380 Ca 0.31 2.82 -0.18 0.00 -0.22 0.00 0.00 54.13 56.87 1qwm s LEU 380 Cb 0.17 -4.02 -0.06 0.00 0.50 0.00 0.00 46.19 42.78 1qwm s LEU 380 CO 0.21 -1.20 0.72 0.00 -1.32 0.00 0.00 176.35 174.75 1qwm n GLN 381 N -0.34 0.62 -0.45 1.98 0.00 -1.26 -4.94 117.38 112.99 1qwm n GLN 381 Ca 0.06 0.25 0.07 0.00 0.00 0.00 0.00 57.00 57.38 1qwm n GLN 381 Cb 0.43 -1.92 0.19 0.00 0.00 0.00 0.00 30.24 28.94 1qwm n GLN 381 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1qwm n ASN 382 N -0.23 1.89 -3.84 2.61 0.23 -1.26 -4.97 115.26 109.70 1qwm n ASN 382 Ca 0.12 -3.68 -0.10 0.00 -0.53 0.00 0.00 54.58 50.40 1qwm n ASN 382 Cb 0.48 -0.50 -0.06 0.00 -2.08 0.00 0.00 39.78 37.62 1qwm n ASN 382 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 1qwm s TYR 383 N -3.14 0.13 0.05 -2.53 -0.85 -1.26 -4.89 117.35 104.86 1qwm s TYR 383 Ca 0.36 -0.49 -0.05 0.00 -0.52 0.00 0.00 57.07 56.38 1qwm s TYR 383 Cb 0.35 0.13 -0.02 0.00 0.38 0.00 0.00 41.96 42.80 1qwm s TYR 383 CO -0.04 -0.77 0.07 0.95 -1.52 0.00 0.00 175.55 174.24 1qwm s THR 384 N -3.91 0.16 0.92 -3.49 -4.23 -1.26 -4.72 115.64 99.12 1qwm s THR 384 Ca 0.12 -1.34 -0.13 0.00 -1.18 0.00 0.00 61.69 59.16 1qwm s THR 384 Cb 0.02 -1.17 0.19 0.00 1.34 0.00 0.00 72.50 72.88 1qwm s THR 384 CO -0.03 -0.74 1.26 -2.16 -0.54 0.00 0.00 174.62 172.41 1qwm s PRO 385 N -3.26 0.76 -0.14 3.99 0.04 -1.26 -5.19 135.00 129.94 1qwm s PRO 385 Ca 0.01 -0.61 -0.29 0.00 0.04 0.00 0.00 61.00 60.15 1qwm s PRO 385 Cb 0.03 -1.94 0.08 0.00 0.04 0.00 0.00 34.50 32.70 1qwm s PRO 385 CO -0.08 -2.27 0.74 0.45 0.04 0.00 0.00 177.00 175.89 1qwm s SER 386 N -4.89 -0.64 0.00 6.66 0.15 -1.26 -5.02 113.70 108.70 1qwm s SER 386 Ca 0.73 0.90 0.28 0.00 0.70 0.00 0.00 55.95 58.56 1qwm s SER 386 Cb -0.04 0.79 1.14 0.00 -1.71 0.00 0.00 66.02 66.20 1qwm s SER 386 CO 0.51 -0.46 1.82 -1.20 1.20 0.00 0.00 173.24 175.12 1qwm n SER 387 N 1.46 0.36 -4.92 5.45 7.64 -1.26 -4.88 113.62 117.46 1qwm n SER 387 Ca -0.16 -0.29 -0.20 0.00 1.01 0.00 0.00 58.87 59.23 1qwm n SER 387 Cb 0.56 -0.12 -0.02 0.00 -1.01 0.00 0.00 64.21 63.62 1qwm n SER 387 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1qwm s LEU 388 N -2.66 3.86 0.38 -3.43 1.43 -1.26 -5.06 118.68 111.93 1qwm s LEU 388 Ca 0.23 -0.28 -0.26 0.00 -1.03 0.00 0.00 54.13 52.79 1qwm s LEU 388 Cb 0.19 -2.53 -0.11 0.00 0.03 0.00 0.00 46.19 43.77 1qwm s LEU 388 CO 0.52 -0.33 1.13 -2.65 0.23 0.00 0.00 176.35 175.25 1qwm n PRO 389 N -1.48 1.65 0.00 1.29 -0.02 -1.26 -4.91 135.00 130.28 1qwm n PRO 389 Ca -0.02 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1qwm n PRO 389 Cb 0.59 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1qwm n PRO 389 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qwm n GLY 390 N 1.01 1.11 3.73 -1.23 0.00 -1.26 -4.99 105.19 103.56 1qwm n GLY 390 Ca 0.08 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 1qwm n GLY 390 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qwm s TYR 391 N -2.17 2.88 -0.16 1.61 1.51 -1.26 -5.00 117.35 114.76 1qwm s TYR 391 Ca 0.00 0.60 0.00 0.00 -1.01 0.00 0.00 57.07 56.66 1qwm s TYR 391 Cb 0.00 -4.06 0.00 0.00 -0.11 0.00 0.00 41.96 37.79 1qwm s TYR 391 CO 0.00 -3.80 -0.16 0.15 -1.11 0.00 0.00 175.55 170.63 1qwm s LYS 392 N 0.42 3.18 0.60 -0.62 -0.14 -1.26 -5.01 119.74 116.91 1qwm s LYS 392 Ca 0.69 -0.76 -0.19 0.00 -1.36 0.00 0.00 55.97 54.35 1qwm s LYS 392 Cb -0.48 -2.62 -0.03 0.00 -1.68 0.00 0.00 37.83 33.02 1qwm s LYS 392 CO 0.39 -0.02 1.21 -1.21 -0.76 0.00 0.00 175.35 174.96 1qwm s GLU 393 N 0.89 2.96 -0.74 1.68 2.02 -1.26 -5.02 118.70 119.23 1qwm s GLU 393 Ca -0.04 1.82 -0.10 0.00 0.02 0.00 0.00 54.97 56.67 1qwm s GLU 393 Cb -0.15 -1.93 0.19 0.00 0.10 0.00 0.00 34.13 32.35 1qwm s GLU 393 CO -0.02 -1.22 0.63 0.34 0.02 0.00 0.00 175.26 175.02 1qwm s ASP 394 N -1.61 6.15 0.32 -0.19 3.68 -1.26 -4.94 116.67 118.82 1qwm s ASP 394 Ca 0.77 -2.71 0.26 0.00 2.13 0.00 0.00 52.55 53.00 1qwm s ASP 394 Cb -0.30 -2.07 1.03 0.00 -1.45 0.00 0.00 42.92 40.12 1qwm s ASP 394 CO 0.33 -0.51 1.78 0.11 0.13 0.00 0.00 175.17 177.01 1qwm h LYS 395 N 7.54 0.00 0.00 4.34 1.57 -2.02 -2.36 116.57 125.64 1qwm h LYS 395 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1qwm h LYS 395 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1qwm h LYS 395 CO 0.75 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.29 1qwm h SER 396 N 0.00 0.00 -0.01 0.86 4.64 -2.05 -2.44 113.55 114.55 1qwm h SER 396 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qwm h SER 396 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1qwm h SER 396 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1qwm n ALA 397 N -1.94 2.64 -1.76 5.18 0.00 -0.89 -4.92 120.51 118.82 1qwm n ALA 397 Ca 0.00 -0.30 -0.39 0.00 0.00 0.00 0.00 53.44 52.76 1qwm n ALA 397 Cb 0.20 -1.36 0.03 0.00 0.00 0.00 0.00 19.45 18.31 1qwm n ALA 397 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1qwm s ARG 398 N -1.99 3.38 0.24 0.00 1.70 -0.92 -4.92 118.95 116.44 1qwm s ARG 398 Ca 0.43 2.20 -0.30 0.00 -0.47 0.00 0.00 55.73 57.59 1qwm s ARG 398 Cb 0.21 -2.38 -0.09 0.00 -0.57 0.00 0.00 34.95 32.12 1qwm s ARG 398 CO 0.35 -0.99 1.24 0.34 -1.08 0.00 0.00 175.30 175.15 1qwm s ASP 399 N -0.91 7.00 0.84 -2.89 3.68 -1.26 -5.00 116.67 118.13 1qwm s ASP 399 Ca 0.68 2.39 -0.12 0.00 2.13 0.00 0.00 52.55 57.63 1qwm s ASP 399 Cb -0.39 -2.62 0.10 0.00 -1.45 0.00 0.00 42.92 38.56 1qwm s ASP 399 CO 0.48 -0.41 1.19 -2.84 0.13 0.00 0.00 175.17 173.72 1qwm s PRO 400 N -0.80 1.41 0.38 4.34 0.02 -1.26 -4.91 135.00 134.18 1qwm s PRO 400 Ca 0.51 1.72 -0.24 0.00 0.02 0.00 0.00 61.00 63.01 1qwm s PRO 400 Cb -0.35 -1.75 -0.13 0.00 0.02 0.00 0.00 34.50 32.29 1qwm s PRO 400 CO 0.42 -2.37 0.78 1.63 -0.33 0.00 0.00 177.00 177.12 1qwm n LYS 401 N -3.59 0.91 -3.99 5.54 5.02 -1.26 -4.98 118.16 115.81 1qwm n LYS 401 Ca 0.13 0.33 -0.33 0.00 -2.02 0.00 0.00 58.31 56.42 1qwm n LYS 401 Cb 0.51 -1.70 -0.14 0.00 -0.02 0.00 0.00 35.03 33.68 1qwm n LYS 401 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1qwm s PHE 402 N -1.29 3.33 -0.38 2.13 5.36 -1.26 -5.06 117.98 120.80 1qwm s PHE 402 Ca 0.62 -2.22 -0.26 0.00 -0.96 0.00 0.00 56.93 54.12 1qwm s PHE 402 Cb -0.63 -2.15 0.02 0.00 -0.34 0.00 0.00 43.02 39.91 1qwm s PHE 402 CO 0.58 -0.86 0.93 1.21 -1.46 0.00 0.00 175.22 175.62 1qwm s ASN 403 N 1.18 6.66 0.58 6.13 3.84 -1.26 -4.92 114.94 127.15 1qwm s ASN 403 Ca -0.05 0.53 0.32 0.00 0.21 0.00 0.00 52.86 53.87 1qwm s ASN 403 Cb -0.20 -2.46 1.78 0.00 -0.55 0.00 0.00 41.25 39.82 1qwm s ASN 403 CO -0.04 -0.88 2.20 -0.07 -2.79 0.00 0.00 177.10 175.52 1qwm h LEU 404 N 10.13 0.00 -0.91 3.21 3.38 -1.98 -0.48 115.31 128.66 1qwm h LEU 404 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1qwm h LEU 404 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1qwm h LEU 404 CO 0.99 0.04 0.00 0.00 0.09 0.00 0.00 178.44 179.56 1qwm n ALA 405 N -2.26 1.35 0.59 1.53 0.00 -1.26 -1.67 120.51 118.79 1qwm n ALA 405 Ca -0.02 0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.65 1qwm n ALA 405 Cb 0.14 -1.32 0.45 0.00 0.00 0.00 0.00 19.45 18.73 1qwm n ALA 405 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1qwm n HIS 406 N -2.14 0.50 0.00 0.00 8.25 -0.19 -4.07 115.22 117.57 1qwm n HIS 406 Ca 0.01 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1qwm n HIS 406 Cb 0.13 -0.78 0.00 0.00 1.12 0.00 0.00 29.99 30.45 1qwm n HIS 406 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1qwm n ILE 407 N -1.94 0.00 -3.95 1.59 -5.35 -0.67 -3.35 119.36 105.68 1qwm n ILE 407 Ca 0.04 -0.09 -0.11 0.00 -0.27 0.00 0.00 62.75 62.32 1qwm n ILE 407 Cb 0.29 0.52 -0.02 0.00 -1.74 0.00 0.00 39.64 38.69 1qwm n ILE 407 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1qwm s GLU 408 N -0.93 1.95 -0.00 6.28 -1.05 -0.83 -4.66 118.70 119.45 1qwm s GLU 408 Ca 0.00 -1.50 0.06 0.00 -0.15 0.00 0.00 54.97 53.38 1qwm s GLU 408 Cb 0.00 0.53 -0.08 0.00 -0.44 0.00 0.00 34.13 34.14 1qwm s GLU 408 CO 0.00 -0.86 0.17 1.63 0.95 0.00 0.00 175.26 177.15 1qwm n LYS 409 N -0.51 2.11 -4.76 -4.83 5.02 -1.26 -4.32 118.16 109.61 1qwm n LYS 409 Ca -0.03 -0.03 -0.26 0.00 -2.02 0.00 0.00 58.31 55.97 1qwm n LYS 409 Cb 0.61 -0.99 -0.15 0.00 -0.02 0.00 0.00 35.03 34.48 1qwm n LYS 409 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1qwm s GLU 410 N -2.06 1.46 0.00 1.97 2.02 -1.26 -5.05 118.70 115.77 1qwm s GLU 410 Ca -0.00 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.14 1qwm s GLU 410 Cb 0.04 -1.51 0.00 0.00 0.10 0.00 0.00 34.13 32.76 1qwm s GLU 410 CO 0.24 0.40 0.41 1.19 0.02 0.00 0.00 175.26 177.51 1qwm n PHE 411 N 2.15 0.00 -2.04 1.61 3.01 -1.26 -5.06 117.46 115.86 1qwm n PHE 411 Ca -0.16 -0.08 -0.37 0.00 1.01 0.00 0.00 57.45 57.85 1qwm n PHE 411 Cb 0.53 -0.01 0.02 0.00 -0.01 0.00 0.00 39.48 40.02 1qwm n PHE 411 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1qwm s GLU 412 N -0.17 3.20 -0.08 -1.08 8.01 -1.26 -4.96 118.70 122.37 1qwm s GLU 412 Ca 0.00 1.88 -0.30 0.00 0.01 0.00 0.00 54.97 56.56 1qwm s GLU 412 Cb 0.00 -2.10 -0.03 0.00 -4.31 0.00 0.00 34.13 27.69 1qwm s GLU 412 CO 0.00 -1.03 1.23 0.08 0.01 0.00 0.00 175.26 175.55 1qwm s VAL 413 N -1.54 4.22 0.18 2.63 1.01 -1.26 -4.99 120.40 120.66 1qwm s VAL 413 Ca 0.73 1.54 -0.24 0.00 0.00 0.00 0.00 61.98 64.01 1qwm s VAL 413 Cb -0.31 -3.99 0.06 0.00 0.00 0.00 0.00 36.38 32.14 1qwm s VAL 413 CO 0.36 -0.03 0.93 0.86 0.00 0.00 0.00 175.10 177.22 1qwm s TRP 414 N 2.52 -0.10 -0.78 5.22 -0.00 -1.26 -5.07 118.94 119.46 1qwm s TRP 414 Ca 0.56 -0.25 -0.19 0.00 -0.00 0.00 0.00 56.10 56.22 1qwm s TRP 414 Cb -0.24 0.67 0.12 0.00 -0.00 0.00 0.00 33.47 34.01 1qwm s TRP 414 CO 0.21 -0.92 0.96 0.54 -0.00 0.00 0.00 176.95 177.73 1qwm s ASN 415 N -3.00 6.43 -0.30 5.86 4.22 -1.26 -5.03 114.94 121.86 1qwm s ASN 415 Ca 0.13 -1.73 -0.24 0.00 -2.14 0.00 0.00 52.86 48.88 1qwm s ASN 415 Cb -0.02 -2.36 0.00 0.00 1.28 0.00 0.00 41.25 40.15 1qwm s ASN 415 CO 0.04 -1.11 0.83 0.26 -2.04 0.00 0.00 177.10 175.08 1qwm s TRP 416 N 2.75 3.21 -0.13 1.54 0.52 -1.26 -4.99 118.94 120.58 1qwm s TRP 416 Ca 0.24 0.91 -0.29 0.00 0.02 0.00 0.00 56.10 56.98 1qwm s TRP 416 Cb -0.13 -3.27 -0.05 0.00 -1.15 0.00 0.00 33.47 28.87 1qwm s TRP 416 CO -0.01 -0.57 1.93 0.34 0.02 0.00 0.00 176.95 178.65 1qwm s ASP 417 N 1.59 6.11 0.36 2.95 2.15 -1.26 -4.82 116.67 123.74 1qwm s ASP 417 Ca 0.35 2.06 0.04 0.00 0.43 0.00 0.00 52.55 55.43 1qwm s ASP 417 Cb -0.14 -2.52 0.68 0.00 -0.30 0.00 0.00 42.92 40.64 1qwm s ASP 417 CO 0.12 -1.41 1.99 0.22 -0.17 0.00 0.00 175.17 175.92 1qwm h TYR 418 N 12.06 0.66 0.00 -5.34 -0.00 -1.94 -1.75 116.97 120.67 1qwm h TYR 418 Ca -0.41 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.73 58.28 1qwm h TYR 418 Cb 1.21 -0.22 -0.00 0.00 -0.00 0.00 0.00 36.73 37.72 1qwm h TYR 418 CO 0.93 0.47 -0.14 0.00 -0.00 0.00 0.00 178.16 179.42 1qwm h ARG 419 N 0.69 0.00 -0.01 1.82 3.08 -1.88 0.05 114.38 118.13 1qwm h ARG 419 Ca 0.18 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.08 1qwm h ARG 419 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1qwm h ARG 419 CO -0.03 0.14 -0.71 0.00 -1.07 0.00 0.00 179.97 178.31 1qwm h ALA 420 N 1.86 0.82 0.08 0.04 0.00 -1.70 -3.20 119.26 117.16 1qwm h ALA 420 Ca -0.00 -0.63 -0.26 0.00 0.00 0.00 0.00 54.91 54.01 1qwm h ALA 420 Cb 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1qwm h ALA 420 CO 0.02 0.86 -1.23 0.22 0.00 0.00 0.00 179.25 179.12 1qwm h ASP 421 N 0.03 0.27 -2.52 0.00 1.82 -1.26 -3.46 116.42 111.30 1qwm h ASP 421 Ca -0.01 -0.31 -0.08 0.00 -0.39 0.00 0.00 57.03 56.24 1qwm h ASP 421 Cb 1.25 -0.09 -0.27 0.00 0.68 0.00 0.00 39.33 40.91 1qwm h ASP 421 CO 0.10 1.25 -0.33 -0.62 -1.61 0.00 0.00 179.24 178.02 1qwm s ASP 422 N -6.94 -0.37 -0.13 2.28 2.15 -0.10 -5.03 116.67 108.53 1qwm s ASP 422 Ca -0.03 1.05 0.15 0.00 0.43 0.00 0.00 52.55 54.15 1qwm s ASP 422 Cb 0.08 1.41 0.38 0.00 -0.30 0.00 0.00 42.92 44.49 1qwm s ASP 422 CO 0.86 -0.23 1.19 -1.54 -0.17 0.00 0.00 175.17 175.27 1qwm n SER 423 N 5.31 1.49 -3.80 -0.34 3.41 -1.25 -4.15 113.62 114.28 1qwm n SER 423 Ca -0.10 -3.17 -0.42 0.00 -0.26 0.00 0.00 58.87 54.91 1qwm n SER 423 Cb 0.50 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1qwm n SER 423 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1qwm n ASP 424 N -0.64 4.79 0.19 4.04 2.03 -1.26 -4.72 116.55 120.97 1qwm n ASP 424 Ca 0.14 -3.02 0.08 0.00 0.52 0.00 0.00 54.79 52.51 1qwm n ASP 424 Cb 0.81 -1.54 0.20 0.00 -0.72 0.00 0.00 41.12 39.87 1qwm n ASP 424 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 1qwm h TYR 425 N 5.78 0.00 0.00 -0.67 0.99 -1.92 -3.39 116.97 117.76 1qwm h TYR 425 Ca 0.47 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.20 1qwm h TYR 425 Cb 0.62 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.35 1qwm h TYR 425 CO 1.34 0.24 -1.21 0.66 -0.00 0.00 0.00 178.16 179.19 1qwm n TYR 426 N -3.20 0.00 0.26 4.88 4.02 -1.26 -4.55 117.16 117.30 1qwm n TYR 426 Ca 0.02 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.75 1qwm n TYR 426 Cb 0.58 -0.15 -0.08 0.00 -0.02 0.00 0.00 39.34 39.67 1qwm n TYR 426 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1qwm h THR 427 N 0.00 0.34 -0.01 -0.72 2.02 -1.89 -2.09 112.91 110.55 1qwm h THR 427 Ca 0.00 0.00 -0.25 0.00 0.77 0.00 0.00 66.41 66.93 1qwm h THR 427 Cb 0.33 0.34 0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1qwm h THR 427 CO 0.00 0.00 -0.99 1.56 0.37 0.00 0.00 175.52 176.46 1qwm h GLN 428 N -0.74 0.62 -0.76 6.66 4.20 -1.86 -2.23 115.11 121.01 1qwm h GLN 428 Ca -0.04 -0.65 -0.01 0.00 0.06 0.00 0.00 58.65 58.01 1qwm h GLN 428 Cb 0.63 0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.56 1qwm h GLN 428 CO 0.00 1.25 0.42 -1.35 -0.67 0.00 0.00 178.83 178.48 1qwm h PRO 429 N 0.36 1.05 -0.49 1.46 0.11 -1.80 -0.19 132.00 132.50 1qwm h PRO 429 Ca -0.11 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1qwm h PRO 429 Cb 1.63 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.51 1qwm h PRO 429 CO 0.19 0.76 0.32 0.78 -0.21 0.00 0.00 178.00 179.84 1qwm h GLY 430 N 1.09 0.70 1.44 -0.55 0.00 -1.23 0.46 103.07 104.98 1qwm h GLY 430 Ca 0.27 -0.27 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 1qwm h GLY 430 CO -0.04 0.26 -0.18 -0.55 0.00 0.00 0.00 176.54 176.03 1qwm h ASP 431 N 0.67 0.65 -0.14 0.19 3.32 -1.01 -1.29 116.42 118.81 1qwm h ASP 431 Ca 0.18 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1qwm h ASP 431 Cb -0.06 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 1qwm h ASP 431 CO -0.04 0.84 -0.07 0.22 -1.72 0.00 0.00 179.24 178.47 1qwm h TYR 432 N 0.59 0.34 -0.36 4.55 3.20 -0.80 -2.48 116.97 122.02 1qwm h TYR 432 Ca 0.09 -0.09 0.07 0.00 3.14 0.00 0.00 58.73 61.94 1qwm h TYR 432 Cb 0.64 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.77 1qwm h TYR 432 CO 0.03 0.63 -0.05 -0.92 -1.64 0.00 0.00 178.16 176.22 1qwm h TYR 433 N -0.05 -0.11 0.00 -3.82 3.20 -0.74 -2.15 116.97 113.30 1qwm h TYR 433 Ca 0.03 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 1qwm h TYR 433 Cb 0.55 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1qwm h TYR 433 CO 0.07 -0.11 -0.18 0.00 -1.64 0.00 0.00 178.16 176.30 1qwm h ARG 434 N 0.05 0.00 0.00 1.82 3.08 -1.19 -1.91 114.38 116.23 1qwm h ARG 434 Ca 0.17 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1qwm h ARG 434 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 1qwm h ARG 434 CO -0.33 0.18 -0.05 0.66 -1.07 0.00 0.00 179.97 179.35 1qwm h SER 435 N 0.00 0.00 -3.88 7.04 4.64 -0.91 -3.45 113.55 116.99 1qwm h SER 435 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1qwm h SER 435 Cb 0.48 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.61 1qwm h SER 435 CO 0.02 0.05 0.50 -0.76 -0.87 0.00 0.00 176.83 175.78 1qwm s LEU 436 N -6.30 4.36 0.74 5.97 1.43 -0.72 -5.01 118.68 119.15 1qwm s LEU 436 Ca 0.02 2.33 -0.15 0.00 -1.03 0.00 0.00 54.13 55.31 1qwm s LEU 436 Cb 0.08 -3.83 0.04 0.00 0.03 0.00 0.00 46.19 42.52 1qwm s LEU 436 CO 0.59 -0.42 1.23 -2.84 0.23 0.00 0.00 176.35 175.14 1qwm s PRO 437 N -1.91 2.07 0.32 1.29 0.02 -1.26 -4.75 135.00 130.77 1qwm s PRO 437 Ca 0.51 1.83 0.00 0.00 0.02 0.00 0.00 61.00 63.36 1qwm s PRO 437 Cb -0.32 -1.82 0.54 0.00 0.02 0.00 0.00 34.50 32.93 1qwm s PRO 437 CO 0.40 -1.91 1.98 0.00 -0.33 0.00 0.00 177.00 177.14 1qwm h ALA 438 N -0.30 1.49 -0.45 -1.55 0.00 -1.96 -1.54 119.26 114.95 1qwm h ALA 438 Ca -0.48 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 1qwm h ALA 438 Cb 1.31 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1qwm h ALA 438 CO 0.49 0.46 0.07 0.38 0.00 0.00 0.00 179.25 180.65 1qwm h ASP 439 N 0.99 0.65 -0.36 0.00 2.03 -2.00 -2.73 116.42 114.99 1qwm h ASP 439 Ca 0.29 -0.12 -0.09 0.00 -0.73 0.00 0.00 57.03 56.38 1qwm h ASP 439 Cb -0.06 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 38.26 1qwm h ASP 439 CO -0.07 0.67 -0.11 -0.08 -1.03 0.00 0.00 179.24 178.63 1qwm h GLU 440 N 0.67 0.72 -1.01 4.15 4.81 -1.66 -2.26 114.58 120.00 1qwm h GLU 440 Ca 0.15 -0.28 0.14 0.00 -0.13 0.00 0.00 59.36 59.23 1qwm h GLU 440 Cb 0.31 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.56 1qwm h GLU 440 CO 0.00 0.88 0.63 0.87 -0.73 0.00 0.00 179.01 180.66 1qwm h LYS 441 N 0.51 0.92 -0.15 1.92 1.57 -1.28 0.95 116.57 121.00 1qwm h LYS 441 Ca 0.09 -0.06 -0.19 0.00 -1.87 0.00 0.00 60.65 58.63 1qwm h LYS 441 Cb 0.62 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1qwm h LYS 441 CO 0.04 0.61 -0.67 0.93 -0.57 0.00 0.00 179.45 179.78 1qwm h GLU 442 N 0.95 0.61 -0.89 3.15 4.39 -1.20 0.99 114.58 122.57 1qwm h GLU 442 Ca 0.52 -0.45 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 1qwm h GLU 442 Cb 0.59 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.27 1qwm h GLU 442 CO -0.29 1.07 0.49 0.00 -1.16 0.00 0.00 179.01 179.12 1qwm h ARG 443 N 0.44 1.24 -0.12 2.33 3.08 -0.91 -2.03 114.38 118.41 1qwm h ARG 443 Ca -0.02 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1qwm h ARG 443 Cb 1.26 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 1qwm h ARG 443 CO 0.13 0.90 0.05 1.25 -1.07 0.00 0.00 179.97 181.23 1qwm h LEU 444 N 1.25 0.16 -0.70 3.04 6.46 -0.53 0.37 115.31 125.36 1qwm h LEU 444 Ca 0.31 -0.15 0.11 0.00 -0.12 0.00 0.00 57.88 58.03 1qwm h LEU 444 Cb 0.02 -0.04 -0.08 0.00 -0.73 0.00 0.00 40.66 39.83 1qwm h LEU 444 CO -0.05 0.27 0.31 0.45 -0.62 0.00 0.00 178.44 178.80 1qwm h HIS 445 N 0.04 0.55 -0.28 1.25 3.86 -0.68 -1.55 115.15 118.34 1qwm h HIS 445 Ca 0.04 0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.11 1qwm h HIS 445 Cb 0.15 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 1qwm h HIS 445 CO -0.02 0.15 -0.49 0.22 0.86 0.00 0.00 177.93 178.65 1qwm h ASP 446 N 0.51 0.85 -0.35 2.45 3.58 -0.94 -0.29 116.42 122.23 1qwm h ASP 446 Ca 0.36 -0.43 0.01 0.00 0.42 0.00 0.00 57.03 57.39 1qwm h ASP 446 Cb 0.45 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 1qwm h ASP 446 CO -0.32 1.19 0.22 0.74 -2.88 0.00 0.00 179.24 178.19 1qwm h THR 447 N 0.61 1.06 -0.11 2.25 2.02 -0.65 -1.18 112.91 116.92 1qwm h THR 447 Ca 0.03 -0.15 -0.15 0.00 0.77 0.00 0.00 66.41 66.90 1qwm h THR 447 Cb 1.07 0.58 0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1qwm h THR 447 CO 0.11 0.08 -0.52 0.40 0.37 0.00 0.00 175.52 175.96 1qwm h ILE 448 N 0.45 1.36 -0.99 3.11 2.04 -1.22 -2.88 117.51 119.38 1qwm h ILE 448 Ca 0.13 -1.83 0.06 0.00 1.00 0.00 0.00 64.86 64.23 1qwm h ILE 448 Cb -0.03 2.17 -0.06 0.00 -0.74 0.00 0.00 36.82 38.16 1qwm h ILE 448 CO -0.05 0.55 0.64 1.23 0.00 0.00 0.00 178.15 180.53 1qwm h GLY 449 N 0.15 1.49 1.27 5.37 0.00 -0.96 0.49 103.07 110.88 1qwm h GLY 449 Ca -0.03 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 46.76 1qwm h GLY 449 CO 0.11 0.34 0.08 -2.09 0.00 0.00 0.00 176.54 174.98 1qwm h GLU 450 N 1.16 0.90 -0.02 4.80 4.22 -1.21 -0.92 114.58 123.52 1qwm h GLU 450 Ca 0.42 -0.22 -0.01 0.00 0.08 0.00 0.00 59.36 59.63 1qwm h GLU 450 Cb 0.16 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1qwm h GLU 450 CO -0.16 0.85 -0.02 1.03 -2.18 0.00 0.00 179.01 178.52 1qwm h SER 451 N 0.85 0.05 0.25 1.04 0.87 -1.16 -2.96 113.55 112.50 1qwm h SER 451 Ca 0.17 -0.51 -0.02 0.00 -1.23 0.00 0.00 61.79 60.21 1qwm h SER 451 Cb 0.39 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1qwm h SER 451 CO 0.01 0.55 -0.08 -0.07 -0.53 0.00 0.00 176.83 176.71 1qwm h LEU 452 N -0.45 0.00 -1.76 2.23 3.38 -0.86 -2.48 115.31 115.38 1qwm h LEU 452 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qwm h LEU 452 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1qwm h LEU 452 CO 0.01 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.62 1qwm h ALA 453 N 1.92 1.00 0.00 1.53 0.00 -0.98 -2.01 119.26 120.72 1qwm h ALA 453 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qwm h ALA 453 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1qwm h ALA 453 CO 0.01 0.00 -0.20 0.72 0.00 0.00 0.00 179.25 179.78 1qwm n HIS 454 N -2.68 0.22 -2.54 0.00 8.25 -0.93 -4.82 115.22 112.72 1qwm n HIS 454 Ca -0.01 0.06 -0.42 0.00 -0.26 0.00 0.00 57.72 57.10 1qwm n HIS 454 Cb 0.14 -0.53 -0.03 0.00 1.12 0.00 0.00 29.99 30.69 1qwm n HIS 454 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1qwm s VAL 455 N -3.04 4.36 -2.86 1.59 1.01 -0.76 -4.69 120.40 116.02 1qwm s VAL 455 Ca 0.12 1.70 0.23 0.00 0.00 0.00 0.00 61.98 64.03 1qwm s VAL 455 Cb 0.17 -4.09 0.20 0.00 0.00 0.00 0.00 36.38 32.66 1qwm s VAL 455 CO 0.61 0.13 1.25 0.35 0.00 0.00 0.00 175.10 177.44 1qwm n THR 456 N 3.90 0.04 -3.95 3.92 -2.24 -1.26 -4.83 114.28 109.87 1qwm n THR 456 Ca 0.08 -0.52 -0.34 0.00 -2.27 0.00 0.00 64.05 60.99 1qwm n THR 456 Cb 0.48 1.44 -0.14 0.00 -2.10 0.00 0.00 70.33 70.01 1qwm n THR 456 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1qwm s HIS 457 N -1.90 3.28 0.40 4.78 3.76 -1.26 -4.99 115.29 119.37 1qwm s HIS 457 Ca 0.28 -2.03 0.16 0.00 -0.15 0.00 0.00 55.06 53.32 1qwm s HIS 457 Cb 0.20 -2.11 1.03 0.00 1.11 0.00 0.00 32.58 32.81 1qwm s HIS 457 CO 0.29 -0.83 1.84 -0.22 -0.85 0.00 0.00 174.74 174.97 1qwm h LYS 458 N 7.93 0.45 -0.39 1.40 1.63 -2.00 -1.37 116.57 124.22 1qwm h LYS 458 Ca -0.20 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.51 1qwm h LYS 458 Cb 1.05 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.56 1qwm h LYS 458 CO 0.52 0.30 -0.01 1.49 -3.45 0.00 0.00 179.45 178.30 1qwm h GLU 459 N 0.46 0.62 -0.19 1.90 4.81 -1.99 0.63 114.58 120.83 1qwm h GLU 459 Ca 0.49 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.51 1qwm h GLU 459 Cb 1.13 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 1qwm h GLU 459 CO -0.21 0.65 -0.13 0.82 -0.73 0.00 0.00 179.01 179.42 1qwm h ILE 460 N 0.59 1.32 -0.08 2.32 2.04 -1.65 -0.65 117.51 121.39 1qwm h ILE 460 Ca 0.12 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.75 1qwm h ILE 460 Cb 0.39 1.72 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1qwm h ILE 460 CO 0.01 0.37 0.05 0.58 0.00 0.00 0.00 178.15 179.16 1qwm h VAL 461 N 0.10 1.04 -0.63 1.67 2.07 -1.30 -1.46 116.25 117.75 1qwm h VAL 461 Ca 0.04 -0.11 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1qwm h VAL 461 Cb 0.63 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 1qwm h VAL 461 CO 0.03 0.04 0.31 0.44 0.02 0.00 0.00 177.57 178.42 1qwm h ASP 462 N 0.09 0.43 -0.44 0.57 3.32 -0.88 -0.34 116.42 119.16 1qwm h ASP 462 Ca 0.03 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.14 1qwm h ASP 462 Cb 0.02 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1qwm h ASP 462 CO -0.01 0.27 0.26 0.11 -1.72 0.00 0.00 179.24 178.16 1qwm h LYS 463 N 0.57 0.51 -0.31 3.56 1.57 -0.88 -1.78 116.57 119.81 1qwm h LYS 463 Ca 0.29 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 59.00 1qwm h LYS 463 Cb 0.25 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1qwm h LYS 463 CO -0.22 0.34 0.01 0.37 -0.57 0.00 0.00 179.45 179.38 1qwm h GLN 464 N 0.53 0.54 -0.72 3.15 5.75 -0.91 -2.07 115.11 121.39 1qwm h GLN 464 Ca 0.17 -0.17 0.12 0.00 -0.15 0.00 0.00 58.65 58.63 1qwm h GLN 464 Cb 0.01 -0.05 -0.08 0.00 1.07 0.00 0.00 27.48 28.42 1qwm h GLN 464 CO -0.08 0.68 0.30 -0.07 -2.65 0.00 0.00 178.83 177.01 1qwm h LEU 465 N 0.34 0.31 -0.61 -2.39 3.38 -0.95 -1.78 115.31 113.61 1qwm h LEU 465 Ca 0.09 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.23 1qwm h LEU 465 Cb 0.43 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 1qwm h LEU 465 CO 0.01 0.15 0.26 -0.33 0.09 0.00 0.00 178.44 178.62 1qwm h GLU 466 N 0.47 0.46 -0.67 1.13 4.39 -0.99 -0.57 114.58 118.79 1qwm h GLU 466 Ca 0.38 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.09 1qwm h GLU 466 Cb 0.52 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.02 1qwm h GLU 466 CO -0.35 0.30 0.40 0.45 -1.16 0.00 0.00 179.01 178.65 1qwm h HIS 467 N 0.47 0.75 -0.57 4.33 3.86 -0.65 -1.12 115.15 122.22 1qwm h HIS 467 Ca 0.30 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.47 1qwm h HIS 467 Cb 0.32 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 1qwm h HIS 467 CO -0.14 0.40 0.12 0.74 0.86 0.00 0.00 177.93 179.92 1qwm h PHE 468 N 0.77 0.92 -0.63 2.45 0.05 -0.52 -2.72 116.94 117.26 1qwm h PHE 468 Ca 0.28 -0.10 -0.07 0.00 3.82 0.00 0.00 57.97 61.91 1qwm h PHE 468 Cb 0.08 -0.27 -0.03 0.00 2.00 0.00 0.00 35.95 37.74 1qwm h PHE 468 CO -0.06 0.78 0.14 -0.22 -0.18 0.00 0.00 178.31 178.77 1qwm h LYS 469 N 0.85 1.02 0.00 1.51 3.64 -0.63 -0.58 116.57 122.38 1qwm h LYS 469 Ca 0.18 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1qwm h LYS 469 Cb 0.33 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1qwm h LYS 469 CO 0.00 0.93 -0.16 0.87 -2.27 0.00 0.00 179.45 178.83 1qwm h LYS 470 N 0.94 0.00 0.00 1.90 1.57 -0.96 -2.66 116.57 117.35 1qwm h LYS 470 Ca 0.20 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1qwm h LYS 470 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1qwm h LYS 470 CO 0.00 0.16 -0.00 0.00 -0.57 0.00 0.00 179.45 179.04 1qwm h ALA 471 N 1.84 -0.00 -1.92 3.86 0.00 -1.09 -3.46 119.26 118.49 1qwm h ALA 471 Ca -0.00 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.53 1qwm h ALA 471 Cb 0.34 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.92 1qwm h ALA 471 CO 0.02 -0.07 0.03 0.34 0.00 0.00 0.00 179.25 179.57 1qwm s ASP 472 N -6.06 -0.94 0.39 0.00 -1.08 -0.29 -4.33 116.67 104.36 1qwm s ASP 472 Ca -0.18 1.44 0.13 0.00 -0.52 0.00 0.00 52.55 53.42 1qwm s ASP 472 Cb -0.02 1.58 0.95 0.00 -1.46 0.00 0.00 42.92 43.97 1qwm s ASP 472 CO 0.68 -0.22 1.87 -0.65 0.52 0.00 0.00 175.17 177.37 1qwm h PRO 473 N 7.14 0.53 0.00 4.34 0.11 -1.76 -0.73 132.00 141.63 1qwm h PRO 473 Ca -0.27 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.71 1qwm h PRO 473 Cb 1.20 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1qwm h PRO 473 CO 0.15 0.35 -0.49 0.87 -0.21 0.00 0.00 178.00 178.67 1qwm h LYS 474 N 0.55 0.00 0.07 1.05 1.57 -1.91 -1.84 116.57 116.05 1qwm h LYS 474 Ca 0.45 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1qwm h LYS 474 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1qwm h LYS 474 CO -0.19 0.49 -0.03 -0.92 -0.57 0.00 0.00 179.45 178.23 1qwm h TYR 475 N 0.00 -0.08 -0.18 -1.35 -0.00 -1.42 -0.68 116.97 113.26 1qwm h TYR 475 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1qwm h TYR 475 Cb 1.03 0.03 -0.01 0.00 -0.00 0.00 0.00 36.73 37.77 1qwm h TYR 475 CO 0.00 0.17 0.11 0.00 -0.00 0.00 0.00 178.16 178.44 1qwm h ALA 476 N 0.58 0.22 -0.90 1.82 0.00 -1.35 -1.93 119.26 117.70 1qwm h ALA 476 Ca -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1qwm h ALA 476 Cb 0.29 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1qwm h ALA 476 CO 0.02 -0.31 0.60 0.93 0.00 0.00 0.00 179.25 180.49 1qwm h GLU 477 N 0.23 1.19 -0.49 0.00 5.08 -1.27 -1.43 114.58 117.88 1qwm h GLU 477 Ca 0.07 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1qwm h GLU 477 Cb -0.01 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 1qwm h GLU 477 CO -0.03 0.79 0.28 0.78 -1.00 0.00 0.00 179.01 179.83 1qwm h GLY 478 N 1.22 0.73 0.99 -3.84 0.00 -1.02 -2.11 103.07 99.04 1qwm h GLY 478 Ca 0.33 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 1qwm h GLY 478 CO -0.07 0.31 0.18 -2.08 0.00 0.00 0.00 176.54 174.87 1qwm h VAL 479 N 0.65 1.24 -0.71 4.60 2.07 -1.16 -2.73 116.25 120.22 1qwm h VAL 479 Ca 0.17 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1qwm h VAL 479 Cb 0.02 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1qwm h VAL 479 CO -0.03 0.30 0.33 0.50 0.02 0.00 0.00 177.57 178.69 1qwm h LYS 480 N 0.78 1.03 -0.48 1.57 3.64 -1.10 0.24 116.57 122.25 1qwm h LYS 480 Ca 0.18 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1qwm h LYS 480 Cb 0.28 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1qwm h LYS 480 CO -0.01 0.82 0.17 -0.22 -2.27 0.00 0.00 179.45 177.94 1qwm h LYS 481 N 0.99 0.74 -0.56 1.90 3.64 -1.33 -0.93 116.57 121.01 1qwm h LYS 481 Ca 0.24 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 1qwm h LYS 481 Cb 0.14 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1qwm h LYS 481 CO -0.03 0.68 -0.03 0.00 -2.27 0.00 0.00 179.45 177.80 1qwm h ALA 482 N 1.02 0.87 -0.35 5.00 0.00 -1.12 -2.09 119.26 122.60 1qwm h ALA 482 Ca 0.16 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1qwm h ALA 482 Cb 0.24 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1qwm h ALA 482 CO -0.01 0.65 0.18 1.25 0.00 0.00 0.00 179.25 181.33 1qwm h LEU 483 N 0.91 0.28 -1.10 0.00 5.85 -0.21 -1.43 115.31 119.62 1qwm h LEU 483 Ca 0.16 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 1qwm h LEU 483 Cb 0.57 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1qwm h LEU 483 CO 0.03 0.20 -0.23 -0.33 -0.34 0.00 0.00 178.44 177.78 1qwm h GLU 484 N 0.37 0.36 -0.49 1.25 5.08 -0.97 0.24 114.58 120.42 1qwm h GLU 484 Ca 0.14 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1qwm h GLU 484 Cb 0.04 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1qwm h GLU 484 CO -0.09 0.57 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.26 1qwm h LYS 485 N 0.33 0.88 0.00 2.33 3.64 -1.07 -2.68 116.57 120.00 1qwm h LYS 485 Ca 0.05 -0.29 -0.16 0.00 -1.27 0.00 0.00 60.65 58.98 1qwm h LYS 485 Cb 0.58 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1qwm h LYS 485 CO 0.04 0.92 -0.79 0.45 -2.27 0.00 0.00 179.45 177.80 1qwm h HIS 486 N 0.74 0.00 -0.64 1.91 3.86 -0.93 -2.76 115.15 117.34 1qwm h HIS 486 Ca 0.14 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.27 1qwm h HIS 486 Cb 0.54 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 1qwm h HIS 486 CO 0.04 0.78 0.09 1.96 0.86 0.00 0.00 177.93 181.66 1qwm h GLN 487 N 0.00 1.06 -0.68 2.45 4.20 -0.91 -2.82 115.11 118.41 1qwm h GLN 487 Ca -0.01 -0.29 -0.07 0.00 0.06 0.00 0.00 58.65 58.34 1qwm h GLN 487 Cb 1.60 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 29.23 1qwm h GLN 487 CO 0.10 0.99 0.14 -0.22 -0.67 0.00 0.00 178.83 179.17 1qwm h LYS 488 N 0.97 1.10 -0.34 1.46 3.64 -1.45 -3.04 116.57 118.91 1qwm h LYS 488 Ca 0.19 -0.28 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 1qwm h LYS 488 Cb 0.45 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1qwm h LYS 488 CO 0.01 0.99 -0.04 0.52 -2.27 0.00 0.00 179.45 178.66 1qwm h MET 489 N 1.03 0.54 0.00 1.90 2.86 -1.38 -3.52 114.93 116.37 1qwm h MET 489 Ca 0.21 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1qwm h MET 489 Cb 0.40 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1qwm h MET 489 CO 0.01 0.60 0.00 -1.33 1.06 0.00 0.00 176.91 177.25