#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s18 s TRP 16 N 0.00 -0.73 0.30 1.20 -0.11 -1.26 -5.12 118.94 113.21 1s18 s TRP 16 Ca 0.00 1.44 -0.30 0.00 1.22 0.00 0.00 56.10 58.46 1s18 s TRP 16 Cb 0.00 0.26 -0.11 0.00 -1.50 0.00 0.00 33.47 32.11 1s18 s TRP 16 CO 0.00 -0.46 1.58 -0.47 -4.62 0.00 0.00 176.95 172.98 1s18 s TYR 17 N 2.51 2.74 -0.42 5.86 5.04 -1.26 -4.97 117.35 126.85 1s18 s TYR 17 Ca -0.02 0.82 -0.14 0.00 -2.44 0.00 0.00 57.07 55.29 1s18 s TYR 17 Cb -0.12 -4.06 0.04 0.00 0.35 0.00 0.00 41.96 38.17 1s18 s TYR 17 CO -0.12 -3.52 0.30 1.21 -1.34 0.00 0.00 175.55 172.08 1s18 s ASN 18 N 0.44 6.00 0.00 4.32 3.84 -1.26 -4.98 114.94 123.30 1s18 s ASN 18 Ca 0.62 -1.10 0.19 0.00 0.21 0.00 0.00 52.86 52.79 1s18 s ASN 18 Cb -0.48 -2.12 1.01 0.00 -0.55 0.00 0.00 41.25 39.12 1s18 s ASN 18 CO 0.49 -0.50 1.59 0.47 -2.79 0.00 0.00 177.10 176.36 1s18 n ASP 19 N 5.12 0.00 -4.68 -4.21 8.00 -1.26 -2.60 116.55 116.92 1s18 n ASP 19 Ca -0.11 -0.13 -0.43 0.00 0.71 0.00 0.00 54.79 54.83 1s18 n ASP 19 Cb 0.45 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 41.30 1s18 n ASP 19 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1s18 n THR 20 N -1.22 0.52 -3.64 -3.53 -1.04 -1.26 -4.94 114.28 99.17 1s18 n THR 20 Ca 0.10 -0.09 -0.06 0.00 -2.04 0.00 0.00 64.05 61.96 1s18 n THR 20 Cb 0.13 -2.17 -0.07 0.00 -1.82 0.00 0.00 70.33 66.41 1s18 n THR 20 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1s18 s TYR 21 N 3.40 -0.93 1.33 -1.42 5.04 -1.26 -4.27 117.35 119.23 1s18 s TYR 21 Ca 0.85 1.88 -0.22 0.00 -2.44 0.00 0.00 57.07 57.14 1s18 s TYR 21 Cb -0.48 0.56 0.34 0.00 0.35 0.00 0.00 41.96 42.72 1s18 s TYR 21 CO 0.40 -0.46 1.01 -2.30 -1.34 0.00 0.00 175.55 172.85 1s18 n PRO 22 N 4.12 -3.85 0.04 4.97 -0.02 -1.26 -5.04 135.00 133.95 1s18 n PRO 22 Ca -0.19 -1.64 -0.03 0.00 -2.02 0.00 0.00 63.50 59.62 1s18 n PRO 22 Cb 0.59 -1.74 0.21 0.00 -0.02 0.00 0.00 33.50 32.53 1s18 n PRO 22 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1s18 h LEU 23 N 0.00 0.42 -9.26 2.45 3.38 -1.59 -3.43 115.31 107.27 1s18 h LEU 23 Ca -0.40 -0.15 -0.67 0.00 0.09 0.00 0.00 57.88 56.74 1s18 h LEU 23 Cb 1.29 -0.11 -0.16 0.00 0.09 0.00 0.00 40.66 41.76 1s18 h LEU 23 CO 0.26 0.71 -0.68 -0.44 0.09 0.00 0.00 178.44 178.38 1s18 s SER 24 N -6.84 4.84 0.26 -0.43 0.01 -0.17 -5.07 113.70 106.29 1s18 s SER 24 Ca -0.06 -0.08 -0.31 0.00 1.31 0.00 0.00 55.95 56.81 1s18 s SER 24 Cb 0.14 -1.19 -0.11 0.00 0.21 0.00 0.00 66.02 65.06 1s18 s SER 24 CO 0.79 0.29 1.59 -2.84 0.41 0.00 0.00 173.24 173.47 1s18 s PRO 25 N -1.44 4.15 0.62 12.44 0.02 -1.26 -4.89 135.00 144.65 1s18 s PRO 25 Ca 0.18 2.52 -0.19 0.00 0.02 0.00 0.00 61.00 63.53 1s18 s PRO 25 Cb -0.11 -3.06 -0.02 0.00 0.02 0.00 0.00 34.50 31.33 1s18 s PRO 25 CO 0.08 -0.62 1.29 -2.14 -0.33 0.00 0.00 177.00 175.29 1s18 s PRO 26 N 0.01 2.70 -0.20 5.54 0.02 -1.26 -4.89 135.00 136.93 1s18 s PRO 26 Ca 0.66 2.07 -0.02 0.00 0.02 0.00 0.00 61.00 63.72 1s18 s PRO 26 Cb -0.47 -1.92 -0.00 0.00 0.02 0.00 0.00 34.50 32.12 1s18 s PRO 26 CO 0.42 -1.48 -0.09 -0.65 -0.33 0.00 0.00 177.00 174.88 1s18 s GLN 27 N -3.29 3.32 0.18 5.54 -1.52 -0.54 -4.97 119.66 118.37 1s18 s GLN 27 Ca 0.80 -0.67 -0.31 0.00 -1.95 0.00 0.00 55.36 53.23 1s18 s GLN 27 Cb -0.37 -2.86 -0.10 0.00 -0.22 0.00 0.00 33.01 29.46 1s18 s GLN 27 CO 0.40 -0.12 1.55 0.50 -0.25 0.00 0.00 175.29 177.37 1s18 s ARG 28 N 1.22 4.22 0.35 2.91 6.06 -1.26 -0.97 118.95 131.48 1s18 s ARG 28 Ca 0.02 2.35 0.09 0.00 -2.50 0.00 0.00 55.73 55.69 1s18 s ARG 28 Cb -0.14 -3.15 -0.07 0.00 0.06 0.00 0.00 34.95 31.65 1s18 s ARG 28 CO -0.03 -0.58 -0.09 0.95 -2.50 0.00 0.00 175.30 173.05 1s18 s THR 29 N 0.98 2.22 0.55 4.11 -4.23 0.14 -4.91 115.64 114.50 1s18 s THR 29 Ca 0.68 -2.19 0.29 0.00 -1.18 0.00 0.00 61.69 59.30 1s18 s THR 29 Cb -0.43 -2.68 0.34 0.00 1.34 0.00 0.00 72.50 71.07 1s18 s THR 29 CO 0.33 -0.18 2.22 -0.65 -0.54 0.00 0.00 174.62 175.79 1s18 h PRO 30 N 2.00 0.00 0.00 3.99 0.11 -2.03 -2.70 132.00 133.37 1s18 h PRO 30 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1s18 h PRO 30 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1s18 h PRO 30 CO 0.71 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.53 1s18 h ALA 31 N 1.97 1.00 0.00 -0.75 0.00 -1.96 -3.47 119.26 116.05 1s18 h ALA 31 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s18 h ALA 31 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1s18 h ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1s18 n GLY 32 N 1.18 0.20 3.25 0.00 0.00 -1.02 -2.11 105.19 106.70 1s18 n GLY 32 Ca 0.05 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 1s18 n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s18 s ILE 33 N -4.00 1.88 -0.09 -0.61 1.01 -0.71 -0.69 121.20 118.00 1s18 s ILE 33 Ca 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.69 1s18 s ILE 33 Cb 0.00 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 1s18 s ILE 33 CO 0.00 0.53 -0.16 -0.60 0.00 0.00 0.00 174.94 174.71 1s18 s ARG 34 N -0.30 2.89 -0.04 2.79 3.52 -0.14 -1.25 118.95 126.42 1s18 s ARG 34 Ca 0.02 -0.74 0.07 0.00 -0.13 0.00 0.00 55.73 54.95 1s18 s ARG 34 Cb -0.11 -2.44 -0.01 0.00 -1.56 0.00 0.00 34.95 30.82 1s18 s ARG 34 CO 0.01 0.40 -0.24 0.71 -0.81 0.00 0.00 175.30 175.37 1s18 s TYR 35 N -0.15 2.27 0.17 5.12 2.02 0.11 -1.47 117.35 125.43 1s18 s TYR 35 Ca -0.02 -0.57 -0.31 0.00 -0.37 0.00 0.00 57.07 55.81 1s18 s TYR 35 Cb -0.14 -1.48 -0.09 0.00 -0.40 0.00 0.00 41.96 39.85 1s18 s TYR 35 CO 0.04 -0.13 1.48 0.50 -1.57 0.00 0.00 175.55 175.87 1s18 s ARG 36 N -0.33 4.26 0.25 -0.62 6.06 -1.26 -0.38 118.95 126.93 1s18 s ARG 36 Ca 0.02 2.26 0.05 0.00 -2.50 0.00 0.00 55.73 55.56 1s18 s ARG 36 Cb -0.12 -3.17 -0.05 0.00 0.06 0.00 0.00 34.95 31.67 1s18 s ARG 36 CO 0.01 -0.51 -0.04 0.96 -2.50 0.00 0.00 175.30 173.23 1s18 s ILE 37 N 0.85 1.37 0.02 4.11 -4.36 -0.31 -1.73 121.20 121.16 1s18 s ILE 37 Ca 0.66 -2.09 -0.17 0.00 -0.26 0.00 0.00 60.65 58.79 1s18 s ILE 37 Cb -0.41 -2.37 0.03 0.00 1.25 0.00 0.00 42.46 40.96 1s18 s ILE 37 CO 0.34 -0.34 0.38 0.00 0.24 0.00 0.00 174.94 175.56 1s18 s ALA 38 N -3.19 -0.92 0.09 2.27 0.00 -0.48 -0.99 121.76 118.54 1s18 s ALA 38 Ca 0.28 0.31 0.07 0.00 0.00 0.00 0.00 51.96 52.62 1s18 s ALA 38 Cb 0.04 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 1s18 s ALA 38 CO 0.10 -0.39 -0.19 0.14 0.00 0.00 0.00 175.76 175.42 1s18 s VAL 39 N -2.10 1.58 -0.02 0.00 -7.23 -0.05 -1.39 120.40 111.20 1s18 s VAL 39 Ca -0.08 -1.43 0.06 0.00 -1.81 0.00 0.00 61.98 58.72 1s18 s VAL 39 Cb -0.02 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 1s18 s VAL 39 CO 0.00 -0.04 -0.18 -0.51 -0.31 0.00 0.00 175.10 174.06 1s18 s ILE 40 N -1.11 2.74 0.09 -0.62 1.10 -0.52 -1.19 121.20 121.68 1s18 s ILE 40 Ca 0.05 -0.93 -0.14 0.00 -0.51 0.00 0.00 60.65 59.12 1s18 s ILE 40 Cb -0.10 -2.07 -0.06 0.00 0.15 0.00 0.00 42.46 40.38 1s18 s ILE 40 CO 0.03 0.53 0.48 0.00 -2.11 0.00 0.00 174.94 173.87 1s18 s ALA 41 N -0.75 3.65 -0.36 1.50 0.00 -0.84 -1.80 121.76 123.17 1s18 s ALA 41 Ca 0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.84 1s18 s ALA 41 Cb -0.10 -2.43 0.07 0.00 0.00 0.00 0.00 23.12 20.66 1s18 s ALA 41 CO 0.01 0.49 0.12 0.34 0.00 0.00 0.00 175.76 176.71 1s18 s ASP 42 N -1.53 5.17 0.00 0.00 -1.08 -0.30 -3.99 116.67 114.94 1s18 s ASP 42 Ca 0.32 -1.53 0.24 0.00 -0.52 0.00 0.00 52.55 51.07 1s18 s ASP 42 Cb -0.15 -1.81 1.02 0.00 -1.46 0.00 0.00 42.92 40.51 1s18 s ASP 42 CO 0.18 -0.40 1.71 0.18 0.52 0.00 0.00 175.17 177.36 1s18 n LEU 43 N 4.68 1.28 0.00 -1.34 4.77 -1.26 -4.24 117.00 120.88 1s18 n LEU 43 Ca -0.09 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 1s18 n LEU 43 Cb 0.43 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1s18 n LEU 43 CO 0.31 0.24 0.00 0.47 -1.33 0.00 0.00 177.39 177.08 1s18 n ASP 44 N 0.03 0.00 0.13 -1.43 8.00 -1.26 -1.44 116.55 120.57 1s18 n ASP 44 Ca 0.18 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.79 1s18 n ASP 44 Cb 0.29 0.00 0.49 0.00 -0.02 0.00 0.00 41.12 41.88 1s18 n ASP 44 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1s18 n THR 45 N 0.00 0.88 1.83 -3.53 -2.24 -1.26 -1.62 114.28 108.34 1s18 n THR 45 Ca 0.00 0.30 0.02 0.00 -2.27 0.00 0.00 64.05 62.10 1s18 n THR 45 Cb 0.00 -1.23 0.13 0.00 -2.10 0.00 0.00 70.33 67.13 1s18 n THR 45 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s18 n GLU 46 N -2.20 0.92 0.00 -0.78 1.02 -0.52 -3.42 120.64 115.66 1s18 n GLU 46 Ca 0.02 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.30 1s18 n GLU 46 Cb 0.20 -1.07 0.71 0.00 -0.02 0.00 0.00 31.44 31.26 1s18 n GLU 46 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1s18 n SER 47 N -0.57 0.00 -4.71 1.62 3.41 -0.64 -4.82 113.62 107.92 1s18 n SER 47 Ca 0.03 -0.04 -0.42 0.00 -0.26 0.00 0.00 58.87 58.18 1s18 n SER 47 Cb 0.01 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 63.62 1s18 n SER 47 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1s18 s ARG 48 N -2.63 4.25 0.64 4.33 0.52 -1.22 0.19 118.95 125.03 1s18 s ARG 48 Ca 0.26 2.22 -0.05 0.00 -0.52 0.00 0.00 55.73 57.64 1s18 s ARG 48 Cb 0.19 -3.33 0.04 0.00 0.52 0.00 0.00 34.95 32.37 1s18 s ARG 48 CO 0.45 -0.58 0.94 0.00 0.02 0.00 0.00 175.30 176.13 1s18 s ALA 49 N 1.62 3.31 0.17 2.13 0.00 0.17 -4.89 121.76 124.26 1s18 s ALA 49 Ca 0.69 -0.88 -0.09 0.00 0.00 0.00 0.00 51.96 51.67 1s18 s ALA 49 Cb -0.39 -2.53 0.04 0.00 0.00 0.00 0.00 23.12 20.24 1s18 s ALA 49 CO 0.31 -1.02 1.58 1.96 0.00 0.00 0.00 175.76 178.58 1s18 h GLN 50 N -0.34 0.99 -6.82 0.00 4.20 -1.95 -3.44 115.11 107.76 1s18 h GLN 50 Ca -0.45 -0.40 -0.53 0.00 0.06 0.00 0.00 58.65 57.33 1s18 h GLN 50 Cb 1.29 -0.05 0.08 0.00 0.30 0.00 0.00 27.48 29.10 1s18 h GLN 50 CO 0.59 1.08 0.80 -2.00 -0.67 0.00 0.00 178.83 178.63 1s18 s GLU 51 N -4.73 4.19 0.41 1.46 2.12 -1.26 -4.92 118.70 115.96 1s18 s GLU 51 Ca -0.11 2.46 -0.26 0.00 0.36 0.00 0.00 54.97 57.41 1s18 s GLU 51 Cb 0.13 -3.04 -0.10 0.00 0.26 0.00 0.00 34.13 31.37 1s18 s GLU 51 CO 0.87 -0.50 1.36 -0.85 -0.54 0.00 0.00 175.26 175.59 1s18 n GLU 52 N 1.77 2.19 -3.96 4.30 0.28 -1.26 -2.78 120.64 121.19 1s18 n GLU 52 Ca 0.06 0.78 -0.27 0.00 -0.16 0.00 0.00 57.16 57.56 1s18 n GLU 52 Cb 0.39 -2.49 -0.02 0.00 1.43 0.00 0.00 31.44 30.75 1s18 n GLU 52 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1s18 n ASN 53 N 0.26 -0.80 -3.89 -1.84 5.03 -1.26 -4.98 115.26 107.78 1s18 n ASN 53 Ca 0.05 -1.04 -0.14 0.00 0.87 0.00 0.00 54.58 54.32 1s18 n ASN 53 Cb 0.39 -2.93 -0.15 0.00 -1.02 0.00 0.00 39.78 36.08 1s18 n ASN 53 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1s18 s THR 54 N -3.93 0.17 0.09 3.41 2.01 -1.12 -4.28 115.64 111.99 1s18 s THR 54 Ca 0.06 -0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.06 1s18 s THR 54 Cb -0.03 -0.17 -0.03 0.00 0.01 0.00 0.00 72.50 72.28 1s18 s THR 54 CO 0.90 0.07 -0.14 0.26 -0.69 0.00 0.00 174.62 175.02 1s18 s TRP 55 N 0.17 1.26 0.05 4.92 0.51 -0.44 -0.66 118.94 124.75 1s18 s TRP 55 Ca -0.01 -0.52 -0.04 0.00 -2.12 0.00 0.00 56.10 53.40 1s18 s TRP 55 Cb -0.03 -0.69 -0.02 0.00 -0.81 0.00 0.00 33.47 31.92 1s18 s TRP 55 CO -0.00 0.08 0.06 -0.59 -0.51 0.00 0.00 176.95 175.98 1s18 s PHE 56 N -1.77 0.32 0.35 -1.98 -0.12 0.13 -1.27 117.98 113.63 1s18 s PHE 56 Ca 0.03 -0.74 0.06 0.00 -0.05 0.00 0.00 56.93 56.23 1s18 s PHE 56 Cb -0.07 -0.23 -0.02 0.00 -0.63 0.00 0.00 43.02 42.07 1s18 s PHE 56 CO 0.02 -0.39 0.22 0.45 -0.05 0.00 0.00 175.22 175.47 1s18 n SER 57 N 0.41 0.04 -4.04 1.98 2.88 -0.11 -4.63 113.62 110.16 1s18 n SER 57 Ca -0.17 -3.10 -0.09 0.00 -1.33 0.00 0.00 58.87 54.18 1s18 n SER 57 Cb 0.60 1.37 -0.08 0.00 -0.75 0.00 0.00 64.21 65.35 1s18 n SER 57 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1s18 s TYR 58 N -3.20 0.58 -0.19 0.66 1.13 -1.26 -0.98 117.35 114.09 1s18 s TYR 58 Ca 0.31 -0.96 -0.02 0.00 -1.41 0.00 0.00 57.07 55.00 1s18 s TYR 58 Cb 0.02 -0.25 -0.00 0.00 -1.10 0.00 0.00 41.96 40.63 1s18 s TYR 58 CO 0.22 -0.61 -0.11 -1.17 -2.51 0.00 0.00 175.55 171.37 1s18 s LEU 59 N -2.99 2.62 -0.26 -3.49 2.96 -0.24 -1.98 118.68 115.29 1s18 s LEU 59 Ca 0.19 -0.46 -0.08 0.00 -0.22 0.00 0.00 54.13 53.56 1s18 s LEU 59 Cb 0.05 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 1s18 s LEU 59 CO -0.00 0.02 0.09 -0.75 -1.32 0.00 0.00 176.35 174.39 1s18 s LYS 60 N 1.21 3.62 0.20 1.98 2.20 -0.34 -1.22 119.74 127.39 1s18 s LYS 60 Ca 0.02 -0.51 0.06 0.00 -0.36 0.00 0.00 55.97 55.18 1s18 s LYS 60 Cb -0.14 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 1s18 s LYS 60 CO -0.04 -0.23 0.15 0.15 -0.36 0.00 0.00 175.35 175.02 1s18 s LYS 61 N 1.62 2.89 0.00 4.03 1.02 -1.26 -0.87 119.74 127.17 1s18 s LYS 61 Ca 0.06 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.11 1s18 s LYS 61 Cb -0.15 -2.60 0.00 0.00 -0.52 0.00 0.00 37.83 34.55 1s18 s LYS 61 CO 0.04 0.45 0.00 0.41 -0.92 0.00 0.00 175.35 175.34 1s18 n GLY 62 N -0.63 2.16 2.98 -3.33 0.00 -0.16 -0.76 105.19 105.45 1s18 n GLY 62 Ca -0.08 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 1s18 n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s18 s TYR 63 N -3.22 0.49 -0.05 1.61 2.02 0.44 -1.16 117.35 117.47 1s18 s TYR 63 Ca 0.00 -0.22 0.05 0.00 -0.37 0.00 0.00 57.07 56.53 1s18 s TYR 63 Cb 0.00 -0.31 -0.01 0.00 -0.40 0.00 0.00 41.96 41.25 1s18 s TYR 63 CO 0.00 -0.04 -0.21 -1.17 -1.57 0.00 0.00 175.55 172.56 1s18 s LEU 64 N -0.61 2.00 -0.04 -1.29 0.20 0.48 -1.35 118.68 118.06 1s18 s LEU 64 Ca -0.02 -0.44 0.06 0.00 0.69 0.00 0.00 54.13 54.42 1s18 s LEU 64 Cb -0.05 -1.18 -0.01 0.00 -0.43 0.00 0.00 46.19 44.52 1s18 s LEU 64 CO -0.00 0.20 -0.24 0.42 -0.29 0.00 0.00 176.35 176.44 1s18 s THR 65 N -0.06 1.97 -0.20 3.68 -4.23 0.09 0.07 115.64 116.97 1s18 s THR 65 Ca -0.04 -1.04 -0.05 0.00 -1.18 0.00 0.00 61.69 59.38 1s18 s THR 65 Cb -0.13 -1.66 -0.03 0.00 1.34 0.00 0.00 72.50 72.03 1s18 s THR 65 CO 0.03 0.55 0.00 -0.22 -0.54 0.00 0.00 174.62 174.44 1s18 s LEU 66 N -0.28 3.29 0.61 4.79 2.96 -0.38 -1.24 118.68 128.43 1s18 s LEU 66 Ca 0.01 -0.18 -0.17 0.00 -0.22 0.00 0.00 54.13 53.57 1s18 s LEU 66 Cb -0.12 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 1s18 s LEU 66 CO 0.02 0.08 1.11 -0.94 -1.32 0.00 0.00 176.35 175.30 1s18 s SER 67 N 0.93 5.43 0.42 3.68 1.04 -0.56 -1.74 113.70 122.90 1s18 s SER 67 Ca 0.01 2.04 0.14 0.00 0.48 0.00 0.00 55.95 58.62 1s18 s SER 67 Cb -0.14 -2.56 1.00 0.00 0.10 0.00 0.00 66.02 64.42 1s18 s SER 67 CO 0.02 -1.41 1.95 0.44 0.98 0.00 0.00 173.24 175.21 1s18 h ASP 68 N 0.52 0.42 0.43 7.02 3.32 -1.78 -0.41 116.42 125.94 1s18 h ASP 68 Ca -0.48 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 1s18 h ASP 68 Cb 1.25 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 1s18 h ASP 68 CO 0.56 0.24 -0.04 0.77 -1.72 0.00 0.00 179.24 179.05 1s18 h SER 69 N 0.46 0.00 0.00 6.45 4.64 -1.91 -3.46 113.55 119.72 1s18 h SER 69 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1s18 h SER 69 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1s18 h SER 69 CO -0.10 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.50 1s18 n GLY 70 N -0.62 0.70 0.14 -0.77 0.00 -0.16 -4.93 105.19 99.54 1s18 n GLY 70 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 1s18 n GLY 70 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s18 n ASP 71 N 0.00 2.25 -3.90 1.61 5.68 -1.26 -4.96 116.55 115.98 1s18 n ASP 71 Ca 0.00 -2.20 -0.15 0.00 -0.50 0.00 0.00 54.79 51.94 1s18 n ASP 71 Cb 0.00 -0.12 -0.15 0.00 -1.14 0.00 0.00 41.12 39.71 1s18 n ASP 71 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1s18 s LYS 72 N -1.34 0.31 -0.07 0.11 1.02 -1.26 -4.70 119.74 113.80 1s18 s LYS 72 Ca 0.10 -0.07 0.04 0.00 0.02 0.00 0.00 55.97 56.05 1s18 s LYS 72 Cb 0.07 -0.34 -0.02 0.00 -0.52 0.00 0.00 37.83 37.02 1s18 s LYS 72 CO 0.03 0.02 -0.19 0.08 -0.92 0.00 0.00 175.35 174.37 1s18 s VAL 73 N 0.23 2.61 0.07 3.17 1.01 -0.56 -1.49 120.40 125.43 1s18 s VAL 73 Ca -0.02 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.18 1s18 s VAL 73 Cb -0.05 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 1s18 s VAL 73 CO -0.01 0.57 -0.25 0.00 0.00 0.00 0.00 175.10 175.42 1s18 s ALA 74 N -0.27 2.11 -0.02 5.51 0.00 -0.37 -4.51 121.76 124.22 1s18 s ALA 74 Ca 0.01 -1.25 0.04 0.00 0.00 0.00 0.00 51.96 50.75 1s18 s ALA 74 Cb -0.13 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 1s18 s ALA 74 CO 0.03 0.48 -0.13 0.08 0.00 0.00 0.00 175.76 176.23 1s18 s VAL 75 N -0.88 1.02 0.07 0.00 1.01 -1.26 -0.73 120.40 119.63 1s18 s VAL 75 Ca 0.11 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1s18 s VAL 75 Cb -0.10 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 1s18 s VAL 75 CO 0.03 0.30 -0.08 -1.83 0.00 0.00 0.00 175.10 173.51 1s18 s GLU 76 N -0.13 0.71 0.10 2.72 -1.05 -0.46 -4.99 118.70 115.60 1s18 s GLU 76 Ca 0.02 -1.02 0.10 0.00 -0.15 0.00 0.00 54.97 53.92 1s18 s GLU 76 Cb -0.07 -0.37 -0.04 0.00 -0.44 0.00 0.00 34.13 33.22 1s18 s GLU 76 CO 0.00 0.05 -0.25 -1.58 0.95 0.00 0.00 175.26 174.42 1s18 s TRP 77 N -2.22 2.35 0.92 4.83 0.52 -1.26 -0.42 118.94 123.65 1s18 s TRP 77 Ca 0.00 -0.37 -0.11 0.00 0.02 0.00 0.00 56.10 55.64 1s18 s TRP 77 Cb -0.04 -1.31 0.11 0.00 -1.15 0.00 0.00 33.47 31.08 1s18 s TRP 77 CO -0.01 0.28 0.92 -0.25 0.02 0.00 0.00 176.95 177.91 1s18 n ASP 78 N 1.17 -0.38 -0.30 2.95 9.92 0.06 -4.94 116.55 125.03 1s18 n ASP 78 Ca -0.17 0.40 -0.03 0.00 -0.53 0.00 0.00 54.79 54.46 1s18 n ASP 78 Cb 0.53 -1.40 0.12 0.00 -0.64 0.00 0.00 41.12 39.73 1s18 n ASP 78 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1s18 h LYS 79 N -1.74 1.19 -4.76 -1.24 1.57 -2.00 -3.46 116.57 106.12 1s18 h LYS 79 Ca -0.43 -0.14 -0.33 0.00 -1.87 0.00 0.00 60.65 57.88 1s18 h LYS 79 Cb 1.28 -0.23 -0.14 0.00 0.08 0.00 0.00 32.23 33.21 1s18 h LYS 79 CO 0.39 0.87 -0.59 0.34 -0.57 0.00 0.00 179.45 179.89 1s18 s ASP 80 N -6.29 0.86 0.38 0.86 -1.08 -1.26 -5.17 116.67 104.97 1s18 s ASP 80 Ca -0.12 -1.47 0.08 0.00 -0.52 0.00 0.00 52.55 50.52 1s18 s ASP 80 Cb 0.17 0.35 -0.05 0.00 -1.46 0.00 0.00 42.92 41.93 1s18 s ASP 80 CO 0.82 -0.85 0.11 -1.38 0.52 0.00 0.00 175.17 174.39 1s18 s HIS 81 N -3.87 2.60 -0.23 -5.34 -3.43 -1.26 -4.68 115.29 99.09 1s18 s HIS 81 Ca 0.38 -0.51 -0.07 0.00 -0.80 0.00 0.00 55.06 54.06 1s18 s HIS 81 Cb 0.06 -1.75 -0.03 0.00 -1.43 0.00 0.00 32.58 29.43 1s18 s HIS 81 CO 0.15 0.31 0.04 0.20 -2.00 0.00 0.00 174.74 173.45 1s18 s GLY 82 N -3.83 1.75 0.16 -1.38 0.00 -0.35 -4.95 107.32 98.71 1s18 s GLY 82 Ca 0.38 -1.08 -0.30 0.00 0.00 0.00 0.00 44.72 43.73 1s18 s GLY 82 CO 0.21 0.43 0.97 0.14 0.00 0.00 0.00 173.10 174.85 1s18 s VAL 83 N 1.39 4.30 -0.06 1.40 1.01 -1.26 -1.08 120.40 126.09 1s18 s VAL 83 Ca 0.05 2.02 0.05 0.00 0.00 0.00 0.00 61.98 64.10 1s18 s VAL 83 Cb -0.15 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 1s18 s VAL 83 CO 0.02 0.36 -0.20 -0.76 0.00 0.00 0.00 175.10 174.52 1s18 s LEU 84 N -0.38 2.36 0.12 3.92 1.43 -0.16 -4.87 118.68 121.11 1s18 s LEU 84 Ca 0.46 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 53.22 1s18 s LEU 84 Cb -0.25 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1s18 s LEU 84 CO 0.31 0.28 -0.11 -1.61 0.23 0.00 0.00 176.35 175.44 1s18 s GLU 85 N -0.33 0.96 0.07 1.70 2.02 -1.26 -0.94 118.70 120.92 1s18 s GLU 85 Ca 0.02 -1.26 -0.09 0.00 0.02 0.00 0.00 54.97 53.67 1s18 s GLU 85 Cb -0.13 -0.68 -0.00 0.00 0.10 0.00 0.00 34.13 33.42 1s18 s GLU 85 CO 0.02 0.11 0.18 0.45 0.02 0.00 0.00 175.26 176.04 1s18 s SER 86 N -2.63 0.10 -0.03 -0.19 0.15 -0.40 -4.50 113.70 106.20 1s18 s SER 86 Ca 0.09 -0.55 0.19 0.00 0.70 0.00 0.00 55.95 56.38 1s18 s SER 86 Cb -0.02 0.31 0.58 0.00 -1.71 0.00 0.00 66.02 65.18 1s18 s SER 86 CO 0.01 -0.65 1.49 1.41 1.20 0.00 0.00 173.24 176.70 1s18 n HIS 87 N 0.27 0.97 -3.67 3.44 -0.00 -1.26 -1.33 115.22 113.63 1s18 n HIS 87 Ca -0.17 -0.54 -0.36 0.00 -0.00 0.00 0.00 57.72 56.66 1s18 n HIS 87 Cb 0.61 -0.07 -0.08 0.00 -0.00 0.00 0.00 29.99 30.44 1s18 n HIS 87 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1s18 s LEU 88 N -1.26 4.17 0.11 2.41 2.96 -1.26 -4.83 118.68 120.98 1s18 s LEU 88 Ca 0.43 0.22 -0.10 0.00 -0.22 0.00 0.00 54.13 54.46 1s18 s LEU 88 Cb 0.24 -2.13 0.01 0.00 0.50 0.00 0.00 46.19 44.80 1s18 s LEU 88 CO 0.26 0.12 0.25 0.00 -1.32 0.00 0.00 176.35 175.67 1s18 s ALA 89 N 0.67 -0.35 -0.08 5.97 0.00 -1.26 -4.54 121.76 122.17 1s18 s ALA 89 Ca 0.09 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.53 1s18 s ALA 89 Cb -0.12 0.59 0.02 0.00 0.00 0.00 0.00 23.12 23.60 1s18 s ALA 89 CO 0.01 -0.56 -0.11 -2.00 0.00 0.00 0.00 175.76 173.10 1s18 s GLU 90 N -3.86 1.72 -1.40 0.00 2.12 0.23 -4.65 118.70 112.85 1s18 s GLU 90 Ca 0.06 -0.39 -0.06 0.00 0.36 0.00 0.00 54.97 54.94 1s18 s GLU 90 Cb 0.04 -1.51 0.03 0.00 0.26 0.00 0.00 34.13 32.95 1s18 s GLU 90 CO -0.10 -0.06 0.47 1.63 -0.54 0.00 0.00 175.26 176.66 1s18 n LYS 91 N 4.16 -3.88 -1.11 4.30 5.02 -1.26 -1.92 118.16 123.47 1s18 n LYS 91 Ca -0.20 0.70 -0.04 0.00 -2.02 0.00 0.00 58.31 56.76 1s18 n LYS 91 Cb 0.51 -5.47 -0.02 0.00 -0.02 0.00 0.00 35.03 30.04 1s18 n LYS 91 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s18 n GLY 92 N -1.29 0.66 3.12 0.72 0.00 -1.26 -5.02 105.19 102.13 1s18 n GLY 92 Ca -0.08 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 1s18 n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s18 s ARG 93 N -1.82 1.26 0.23 1.61 0.52 -0.81 -5.00 118.95 114.94 1s18 s ARG 93 Ca 0.00 -0.53 -0.22 0.00 -0.52 0.00 0.00 55.73 54.46 1s18 s ARG 93 Cb 0.00 -1.20 0.05 0.00 0.52 0.00 0.00 34.95 34.32 1s18 s ARG 93 CO 0.00 0.30 0.86 0.20 0.02 0.00 0.00 175.30 176.68 1s18 s GLY 94 N -0.28 -0.08 -1.23 -3.53 0.00 -1.26 -0.60 107.32 100.34 1s18 s GLY 94 Ca 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 44.72 44.56 1s18 s GLY 94 CO -0.00 0.14 0.14 1.03 0.00 0.00 0.00 173.10 174.41 1s18 n MET 95 N -0.49 -2.61 -2.74 2.90 2.81 -1.26 -4.66 117.12 111.07 1s18 n MET 95 Ca -0.05 0.66 -0.43 0.00 -1.81 0.00 0.00 57.70 56.06 1s18 n MET 95 Cb 0.60 -5.31 0.00 0.00 -0.71 0.00 0.00 33.22 27.80 1s18 n MET 95 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1s18 n GLU 96 N -3.10 3.47 -2.61 0.03 1.02 -1.26 -4.49 120.64 113.70 1s18 n GLU 96 Ca -0.13 -3.75 -0.42 0.00 -0.02 0.00 0.00 57.16 52.83 1s18 n GLU 96 Cb 0.61 -2.99 -0.03 0.00 -0.02 0.00 0.00 31.44 29.01 1s18 n GLU 96 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1s18 s LEU 97 N 0.90 4.29 0.00 -4.62 1.43 -1.26 -1.80 118.68 117.63 1s18 s LEU 97 Ca 0.41 1.68 0.07 0.00 -1.03 0.00 0.00 54.13 55.26 1s18 s LEU 97 Cb 0.02 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 1s18 s LEU 97 CO 0.00 -0.44 0.36 -1.20 0.23 0.00 0.00 176.35 175.30 1s18 n SER 98 N 4.71 0.54 -2.30 2.29 7.64 -0.22 -3.65 113.62 122.62 1s18 n SER 98 Ca 0.09 -0.77 -0.03 0.00 1.01 0.00 0.00 58.87 59.17 1s18 n SER 98 Cb 0.48 0.84 0.01 0.00 -1.01 0.00 0.00 64.21 64.53 1s18 n SER 98 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1s18 n ASP 99 N -0.90 -1.12 -3.69 6.43 -0.08 -1.25 -4.50 116.55 111.45 1s18 n ASP 99 Ca 0.02 -1.64 -0.10 0.00 -1.51 0.00 0.00 54.79 51.55 1s18 n ASP 99 Cb 0.12 1.83 -0.10 0.00 2.34 0.00 0.00 41.12 45.31 1s18 n ASP 99 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1s18 s LEU 100 N 0.00 -0.17 -0.01 -2.67 2.96 -1.26 -3.96 118.68 113.56 1s18 s LEU 100 Ca 0.13 1.01 -0.27 0.00 -0.22 0.00 0.00 54.13 54.78 1s18 s LEU 100 Cb -0.02 1.58 0.06 0.00 0.50 0.00 0.00 46.19 48.31 1s18 s LEU 100 CO 0.04 -0.19 0.59 -0.51 -1.32 0.00 0.00 176.35 174.96 1s18 s ILE 101 N 1.19 0.01 -0.15 6.68 2.07 -0.47 -4.51 121.20 126.03 1s18 s ILE 101 Ca -0.08 -0.11 -0.17 0.00 -1.41 0.00 0.00 60.65 58.88 1s18 s ILE 101 Cb -0.07 -0.94 -0.04 0.00 0.13 0.00 0.00 42.46 41.54 1s18 s ILE 101 CO -0.11 -0.06 0.45 -0.69 -1.91 0.00 0.00 174.94 172.61 1s18 s VAL 102 N -1.64 5.19 -0.09 4.00 1.01 -1.26 -0.27 120.40 127.34 1s18 s VAL 102 Ca -0.09 0.86 -0.05 0.00 0.00 0.00 0.00 61.98 62.69 1s18 s VAL 102 Cb -0.01 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.63 1s18 s VAL 102 CO 0.05 0.29 0.22 0.12 0.00 0.00 0.00 175.10 175.78 1s18 s PHE 103 N 0.91 -0.27 -1.46 5.22 5.36 -0.15 -4.86 117.98 122.73 1s18 s PHE 103 Ca 0.23 0.68 -0.11 0.00 -0.96 0.00 0.00 56.93 56.77 1s18 s PHE 103 Cb -0.15 0.02 0.07 0.00 -0.34 0.00 0.00 43.02 42.62 1s18 s PHE 103 CO 0.09 -0.20 0.76 -1.71 -1.46 0.00 0.00 175.22 172.71 1s18 n ASN 104 N 3.99 -4.77 -0.71 6.13 5.15 -1.25 -1.44 115.26 122.36 1s18 n ASN 104 Ca -0.23 -0.56 -0.09 0.00 -0.60 0.00 0.00 54.58 53.10 1s18 n ASN 104 Cb 0.54 -3.85 -0.04 0.00 -0.53 0.00 0.00 39.78 35.90 1s18 n ASN 104 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1s18 n GLY 105 N -1.50 1.08 3.26 8.20 0.00 -1.07 -4.53 105.19 110.62 1s18 n GLY 105 Ca -0.00 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 1s18 n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s18 s LYS 106 N -2.68 1.08 -0.22 1.61 1.02 -0.52 -5.01 119.74 115.02 1s18 s LYS 106 Ca 0.00 -1.45 -0.12 0.00 0.02 0.00 0.00 55.97 54.42 1s18 s LYS 106 Cb 0.00 -0.68 -0.05 0.00 -0.52 0.00 0.00 37.83 36.59 1s18 s LYS 106 CO 0.00 0.09 0.24 -1.17 -0.92 0.00 0.00 175.35 173.59 1s18 s LEU 107 N -3.14 4.13 0.10 3.17 2.96 -1.26 -0.98 118.68 123.67 1s18 s LEU 107 Ca 0.17 0.25 0.08 0.00 -0.22 0.00 0.00 54.13 54.41 1s18 s LEU 107 Cb 0.02 -2.24 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1s18 s LEU 107 CO 0.01 0.02 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.55 1s18 s TYR 108 N 1.10 1.81 0.39 5.38 2.02 0.63 -0.58 117.35 128.10 1s18 s TYR 108 Ca 0.11 -0.42 0.04 0.00 -0.37 0.00 0.00 57.07 56.44 1s18 s TYR 108 Cb -0.14 -0.99 -0.03 0.00 -0.40 0.00 0.00 41.96 40.41 1s18 s TYR 108 CO 0.05 0.21 0.15 0.45 -1.57 0.00 0.00 175.55 174.84 1s18 s SER 109 N -1.90 2.56 -0.03 2.29 0.15 -0.08 -1.37 113.70 115.31 1s18 s SER 109 Ca 0.07 -1.68 -0.02 0.00 0.70 0.00 0.00 55.95 55.02 1s18 s SER 109 Cb -0.10 0.51 0.02 0.00 -1.71 0.00 0.00 66.02 64.74 1s18 s SER 109 CO 0.04 -0.95 0.08 0.54 1.20 0.00 0.00 173.24 174.15 1s18 s VAL 110 N -3.27 -0.03 -0.25 4.45 0.11 -1.25 -0.68 120.40 119.48 1s18 s VAL 110 Ca 0.27 0.10 -0.18 0.00 -2.93 0.00 0.00 61.98 59.24 1s18 s VAL 110 Cb 0.03 -0.13 -0.03 0.00 -1.53 0.00 0.00 36.38 34.72 1s18 s VAL 110 CO 0.16 0.04 0.51 -0.62 -3.33 0.00 0.00 175.10 171.86 1s18 s ASP 111 N 0.60 6.45 0.00 3.54 2.15 -0.31 -1.06 116.67 128.04 1s18 s ASP 111 Ca -0.05 0.54 0.21 0.00 0.43 0.00 0.00 52.55 53.68 1s18 s ASP 111 Cb -0.07 -2.28 1.26 0.00 -0.30 0.00 0.00 42.92 41.54 1s18 s ASP 111 CO -0.02 -0.26 1.77 -0.90 -0.17 0.00 0.00 175.17 175.58 1s18 n ASP 112 N 5.40 0.00 -0.12 -0.34 5.68 -0.75 -1.25 116.55 125.17 1s18 n ASP 112 Ca -0.04 -1.20 -0.25 0.00 -0.50 0.00 0.00 54.79 52.80 1s18 n ASP 112 Cb 0.50 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.40 1s18 n ASP 112 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1s18 n ARG 113 N -0.86 0.56 0.15 0.11 5.12 -1.26 -4.11 116.66 116.37 1s18 n ARG 113 Ca 0.16 0.24 0.12 0.00 -1.93 0.00 0.00 57.85 56.44 1s18 n ARG 113 Cb 0.07 -1.45 0.24 0.00 -1.16 0.00 0.00 32.46 30.17 1s18 n ARG 113 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 1s18 h THR 114 N -0.97 0.00 -0.27 0.55 1.35 -1.81 -3.37 112.91 108.38 1s18 h THR 114 Ca -0.54 -0.76 -0.12 0.00 -0.55 0.00 0.00 66.41 64.44 1s18 h THR 114 Cb 1.46 1.68 -0.05 0.00 -1.73 0.00 0.00 68.15 69.51 1s18 h THR 114 CO -0.33 0.00 -0.11 0.61 -0.25 0.00 0.00 175.52 175.45 1s18 n GLY 115 N 1.21 0.78 3.73 5.82 0.00 -0.38 -4.48 105.19 111.86 1s18 n GLY 115 Ca 0.04 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 1s18 n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s18 s VAL 116 N -2.03 4.96 -0.25 1.61 1.01 -1.22 -0.85 120.40 123.63 1s18 s VAL 116 Ca 0.00 1.40 -0.19 0.00 0.00 0.00 0.00 61.98 63.19 1s18 s VAL 116 Cb 0.00 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1s18 s VAL 116 CO 0.00 0.32 0.56 -0.69 0.00 0.00 0.00 175.10 175.30 1s18 s VAL 117 N 0.35 5.04 -0.12 2.92 1.01 -0.04 -1.17 120.40 128.40 1s18 s VAL 117 Ca 0.35 1.00 -0.05 0.00 0.00 0.00 0.00 61.98 63.28 1s18 s VAL 117 Cb -0.18 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1s18 s VAL 117 CO 0.18 0.07 0.05 -0.31 0.00 0.00 0.00 175.10 175.09 1s18 s TYR 118 N 2.33 3.29 0.17 5.22 2.02 0.14 -0.55 117.35 129.97 1s18 s TYR 118 Ca 0.24 0.23 -0.29 0.00 -0.37 0.00 0.00 57.07 56.87 1s18 s TYR 118 Cb -0.16 -1.90 -0.07 0.00 -0.40 0.00 0.00 41.96 39.43 1s18 s TYR 118 CO 0.09 0.44 0.91 -1.14 -1.57 0.00 0.00 175.55 174.28 1s18 s GLN 119 N -0.57 4.74 -0.30 -0.62 0.74 0.08 -0.90 119.66 122.83 1s18 s GLN 119 Ca 0.10 1.40 -0.08 0.00 0.05 0.00 0.00 55.36 56.84 1s18 s GLN 119 Cb -0.12 -3.32 0.00 0.00 1.10 0.00 0.00 33.01 30.68 1s18 s GLN 119 CO 0.02 0.39 0.10 0.42 -0.55 0.00 0.00 175.29 175.67 1s18 s ILE 120 N -0.64 4.13 -0.23 -2.34 1.01 0.26 -0.40 121.20 122.99 1s18 s ILE 120 Ca 0.42 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 1s18 s ILE 120 Cb -0.24 -3.12 0.07 0.00 0.01 0.00 0.00 42.46 39.17 1s18 s ILE 120 CO 0.30 0.08 0.01 -1.61 0.00 0.00 0.00 174.94 173.71 1s18 s GLU 121 N 1.53 1.07 7.90 2.79 2.02 0.04 -4.39 118.70 129.66 1s18 s GLU 121 Ca 0.03 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.27 1s18 s GLU 121 Cb -0.17 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.75 1s18 s GLU 121 CO 0.03 -0.67 0.00 0.41 0.02 0.00 0.00 175.26 175.06 1s18 n GLY 122 N 4.86 3.65 1.38 -1.39 0.00 -1.26 -0.28 105.19 112.15 1s18 n GLY 122 Ca -0.09 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 45.96 1s18 n GLY 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s18 n SER 123 N 8.32 4.54 -4.87 1.61 3.41 -1.26 -4.98 113.62 120.39 1s18 n SER 123 Ca 0.00 -2.60 -0.35 0.00 -0.26 0.00 0.00 58.87 55.65 1s18 n SER 123 Cb 0.00 -0.55 -0.05 0.00 -0.26 0.00 0.00 64.21 63.35 1s18 n SER 123 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1s18 s LYS 124 N -2.12 3.69 -0.24 4.33 1.02 0.62 -4.52 119.74 122.52 1s18 s LYS 124 Ca 0.47 0.10 0.02 0.00 0.02 0.00 0.00 55.97 56.58 1s18 s LYS 124 Cb 0.32 -3.08 0.05 0.00 -0.52 0.00 0.00 37.83 34.61 1s18 s LYS 124 CO 0.19 0.63 -0.13 0.00 -0.92 0.00 0.00 175.35 175.12 1s18 s ALA 125 N -1.28 2.52 -0.25 5.17 0.00 -1.26 -0.78 121.76 125.87 1s18 s ALA 125 Ca 0.28 -1.65 -0.02 0.00 0.00 0.00 0.00 51.96 50.57 1s18 s ALA 125 Cb -0.14 -1.50 0.03 0.00 0.00 0.00 0.00 23.12 21.50 1s18 s ALA 125 CO 0.16 -1.01 -0.05 0.08 0.00 0.00 0.00 175.76 174.93 1s18 s VAL 126 N 1.14 2.93 0.25 0.00 1.01 0.47 -4.91 120.40 121.31 1s18 s VAL 126 Ca -0.06 -1.04 -0.31 0.00 0.00 0.00 0.00 61.98 60.57 1s18 s VAL 126 Cb -0.18 -2.51 -0.13 0.00 0.00 0.00 0.00 36.38 33.55 1s18 s VAL 126 CO -0.07 0.16 1.42 -2.65 0.00 0.00 0.00 175.10 173.97 1s18 n PRO 127 N 4.67 2.13 0.03 2.72 -0.02 -1.26 -0.74 135.00 142.53 1s18 n PRO 127 Ca -0.16 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1s18 n PRO 127 Cb 0.47 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1s18 n PRO 127 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1s18 n TRP 128 N 1.81 -0.04 -4.22 6.00 -0.00 0.29 -4.84 117.44 116.44 1s18 n TRP 128 Ca 0.11 0.01 -0.13 0.00 -0.00 0.00 0.00 57.50 57.48 1s18 n TRP 128 Cb 0.32 0.01 -0.10 0.00 -0.00 0.00 0.00 31.31 31.55 1s18 n TRP 128 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 1s18 s VAL 129 N -2.00 1.01 -0.07 5.87 -7.23 -1.14 -5.00 120.40 111.84 1s18 s VAL 129 Ca 0.00 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 1s18 s VAL 129 Cb 0.00 -1.76 0.01 0.00 0.56 0.00 0.00 36.38 35.20 1s18 s VAL 129 CO 0.00 -0.77 -0.13 -0.51 -0.31 0.00 0.00 175.10 173.39 1s18 s ILE 130 N -3.33 1.20 -0.27 -0.62 2.07 -1.26 -0.86 121.20 118.14 1s18 s ILE 130 Ca 0.14 -0.50 -0.04 0.00 -1.41 0.00 0.00 60.65 58.84 1s18 s ILE 130 Cb 0.03 -1.10 0.02 0.00 0.13 0.00 0.00 42.46 41.53 1s18 s ILE 130 CO -0.01 0.37 0.01 -0.76 -1.91 0.00 0.00 174.94 172.64 1s18 s LEU 131 N 0.75 3.52 0.50 8.50 1.43 -0.03 -4.99 118.68 128.37 1s18 s LEU 131 Ca -0.13 -0.79 -0.17 0.00 -1.03 0.00 0.00 54.13 52.02 1s18 s LEU 131 Cb -0.16 -1.77 -0.08 0.00 0.03 0.00 0.00 46.19 44.21 1s18 s LEU 131 CO 0.03 -0.16 0.97 -0.44 0.23 0.00 0.00 176.35 176.98 1s18 s SER 132 N 1.41 6.66 0.85 2.29 0.01 -1.26 -0.98 113.70 122.68 1s18 s SER 132 Ca 0.01 1.57 -0.11 0.00 1.31 0.00 0.00 55.95 58.73 1s18 s SER 132 Cb -0.17 -2.51 0.10 0.00 0.21 0.00 0.00 66.02 63.66 1s18 s SER 132 CO -0.01 -0.55 1.09 -0.62 0.41 0.00 0.00 173.24 173.56 1s18 s ASP 133 N -2.97 3.84 1.83 2.44 2.15 -0.13 -4.34 116.67 119.49 1s18 s ASP 133 Ca 0.59 1.62 0.00 0.00 0.43 0.00 0.00 52.55 55.19 1s18 s ASP 133 Cb -0.10 -2.31 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1s18 s ASP 133 CO 0.29 -2.43 0.00 0.61 -0.17 0.00 0.00 175.17 173.47 1s18 n GLY 134 N -1.13 3.60 0.24 2.66 0.00 -1.26 -1.38 105.19 107.92 1s18 n GLY 134 Ca 0.08 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1s18 n GLY 134 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s18 n ASP 135 N 5.04 0.70 0.00 1.61 5.75 -1.26 -4.80 116.55 123.58 1s18 n ASP 135 Ca 0.00 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1s18 n ASP 135 Cb 0.00 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 1s18 n ASP 135 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s18 n GLY 136 N 0.73 0.67 1.04 6.12 0.00 -0.48 -4.86 105.19 108.40 1s18 n GLY 136 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 1s18 n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s18 n THR 137 N -2.00 0.93 -3.76 2.61 -2.24 -1.26 -4.85 114.28 103.72 1s18 n THR 137 Ca 0.00 -0.97 -0.37 0.00 -2.27 0.00 0.00 64.05 60.45 1s18 n THR 137 Cb 0.00 0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 68.73 1s18 n THR 137 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1s18 s VAL 138 N -1.04 5.39 0.20 2.28 1.01 -1.25 -5.01 120.40 121.98 1s18 s VAL 138 Ca 0.37 0.35 -0.08 0.00 0.00 0.00 0.00 61.98 62.62 1s18 s VAL 138 Cb 0.20 -3.49 0.09 0.00 0.00 0.00 0.00 36.38 33.18 1s18 s VAL 138 CO 0.26 0.56 1.68 -0.33 0.00 0.00 0.00 175.10 177.27 1s18 h GLU 139 N 5.36 1.07 -7.13 2.72 5.08 -1.93 -3.31 114.58 116.45 1s18 h GLU 139 Ca -0.51 -0.31 -0.48 0.00 -1.00 0.00 0.00 59.36 57.06 1s18 h GLU 139 Cb 1.21 -0.12 0.05 0.00 0.50 0.00 0.00 28.75 30.39 1s18 h GLU 139 CO 0.63 1.01 0.38 -1.59 -1.00 0.00 0.00 179.01 178.44 1s18 s LYS 140 N -5.12 3.56 0.49 2.33 -2.85 -1.26 -4.83 119.74 112.05 1s18 s LYS 140 Ca -0.12 1.30 -0.22 0.00 -1.00 0.00 0.00 55.97 55.94 1s18 s LYS 140 Cb 0.14 -2.06 -0.07 0.00 -2.06 0.00 0.00 37.83 33.78 1s18 s LYS 140 CO 0.85 -0.63 1.17 0.20 0.10 0.00 0.00 175.35 177.05 1s18 s GLY 141 N -2.34 2.76 0.15 0.59 0.00 -1.26 -0.96 107.32 106.26 1s18 s GLY 141 Ca 0.66 0.95 -0.31 0.00 0.00 0.00 0.00 44.72 46.01 1s18 s GLY 141 CO 0.28 1.38 1.44 -0.12 0.00 0.00 0.00 173.10 176.09 1s18 s PHE 142 N -1.57 3.17 -1.29 1.90 5.36 -0.15 -4.48 117.98 120.91 1s18 s PHE 142 Ca 0.67 0.89 -0.15 0.00 -0.96 0.00 0.00 56.93 57.37 1s18 s PHE 142 Cb -0.29 -3.76 0.11 0.00 -0.34 0.00 0.00 43.02 38.74 1s18 s PHE 142 CO 0.34 -2.68 1.73 1.17 -1.46 0.00 0.00 175.22 174.32 1s18 n LYS 143 N 3.66 3.24 -2.18 10.12 4.81 -1.26 -3.90 118.16 132.65 1s18 n LYS 143 Ca 0.11 -3.38 -0.41 0.00 -0.87 0.00 0.00 58.31 53.76 1s18 n LYS 143 Cb 0.41 -3.28 -0.03 0.00 0.02 0.00 0.00 35.03 32.16 1s18 n LYS 143 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1s18 s ALA 144 N 2.90 3.53 0.00 3.14 0.00 -1.26 -4.47 121.76 125.60 1s18 s ALA 144 Ca 0.48 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.60 1s18 s ALA 144 Cb 0.04 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1s18 s ALA 144 CO 0.03 -0.57 0.00 0.39 0.00 0.00 0.00 175.76 175.60 1s18 n GLU 145 N 2.22 2.05 -3.90 0.00 -0.58 0.16 -4.43 120.64 116.16 1s18 n GLU 145 Ca 0.05 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.68 1s18 n GLU 145 Cb 0.42 -0.89 -0.10 0.00 -0.57 0.00 0.00 31.44 30.30 1s18 n GLU 145 CO 0.00 0.00 0.00 1.67 -0.48 0.00 0.00 177.13 178.32 1s18 s TRP 146 N -1.65 0.09 0.00 -0.32 1.48 -0.70 -4.54 118.94 113.30 1s18 s TRP 146 Ca 0.00 -0.20 0.05 0.00 -1.06 0.00 0.00 56.10 54.89 1s18 s TRP 146 Cb 0.00 -0.08 -0.02 0.00 -1.16 0.00 0.00 33.47 32.21 1s18 s TRP 146 CO 0.00 -0.24 -0.17 -0.51 -4.06 0.00 0.00 176.95 171.98 1s18 s LEU 147 N -1.27 2.07 0.15 -4.66 1.43 -1.26 -1.17 118.68 113.97 1s18 s LEU 147 Ca -0.14 -0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 52.52 1s18 s LEU 147 Cb -0.08 -0.82 -0.01 0.00 0.03 0.00 0.00 46.19 45.31 1s18 s LEU 147 CO 0.01 0.17 0.26 0.00 0.23 0.00 0.00 176.35 177.01 1s18 s ALA 148 N -0.52 -0.03 -0.08 4.21 0.00 -0.32 -4.61 121.76 120.41 1s18 s ALA 148 Ca 0.06 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.21 1s18 s ALA 148 Cb -0.07 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.84 1s18 s ALA 148 CO 0.00 -0.61 -0.17 0.08 0.00 0.00 0.00 175.76 175.05 1s18 s VAL 149 N -3.95 1.54 -0.07 0.00 1.01 -1.26 0.02 120.40 117.69 1s18 s VAL 149 Ca 0.15 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 1s18 s VAL 149 Cb 0.04 -1.36 0.04 0.00 0.00 0.00 0.00 36.38 35.10 1s18 s VAL 149 CO -0.02 0.44 0.13 -0.75 0.00 0.00 0.00 175.10 174.90 1s18 s LYS 150 N 0.52 0.02 -1.29 2.72 2.20 -0.48 -4.42 119.74 119.01 1s18 s LYS 150 Ca -0.16 0.48 -0.05 0.00 -0.36 0.00 0.00 55.97 55.87 1s18 s LYS 150 Cb -0.17 -0.30 -0.00 0.00 -1.51 0.00 0.00 37.83 35.85 1s18 s LYS 150 CO 0.06 -0.28 0.63 -0.25 -0.36 0.00 0.00 175.35 175.15 1s18 n ASP 151 N 5.08 -2.10 -1.47 1.43 8.00 -1.26 -1.45 116.55 124.77 1s18 n ASP 151 Ca -0.09 -0.93 -0.17 0.00 0.71 0.00 0.00 54.79 54.31 1s18 n ASP 151 Cb 0.50 -3.59 -0.06 0.00 -0.02 0.00 0.00 41.12 37.95 1s18 n ASP 151 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1s18 n GLU 152 N -4.25 -1.24 -4.67 -1.24 1.02 -1.26 -4.99 120.64 104.01 1s18 n GLU 152 Ca -0.24 1.04 -0.26 0.00 -0.02 0.00 0.00 57.16 57.68 1s18 n GLU 152 Cb 0.66 -5.33 -0.14 0.00 -0.02 0.00 0.00 31.44 26.61 1s18 n GLU 152 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1s18 s ARG 153 N -3.78 1.43 -0.25 3.49 0.52 -0.53 -4.06 118.95 115.77 1s18 s ARG 153 Ca 0.00 -0.97 -0.18 0.00 -0.52 0.00 0.00 55.73 54.07 1s18 s ARG 153 Cb 0.00 -1.56 -0.03 0.00 0.52 0.00 0.00 34.95 33.88 1s18 s ARG 153 CO 0.00 0.40 0.49 -1.17 0.02 0.00 0.00 175.30 175.04 1s18 s LEU 154 N -1.21 4.07 -0.18 2.53 2.96 0.48 -1.38 118.68 125.96 1s18 s LEU 154 Ca 0.08 0.53 -0.11 0.00 -0.22 0.00 0.00 54.13 54.40 1s18 s LEU 154 Cb -0.09 -2.64 -0.05 0.00 0.50 0.00 0.00 46.19 43.91 1s18 s LEU 154 CO 0.02 -0.24 0.20 -0.31 -1.32 0.00 0.00 176.35 174.69 1s18 s TYR 155 N 2.10 3.45 -0.20 5.38 2.02 0.10 -0.10 117.35 130.10 1s18 s TYR 155 Ca 0.21 0.46 0.00 0.00 -0.37 0.00 0.00 57.07 57.37 1s18 s TYR 155 Cb -0.16 -2.21 0.05 0.00 -0.40 0.00 0.00 41.96 39.24 1s18 s TYR 155 CO 0.09 0.31 -0.06 0.08 -1.57 0.00 0.00 175.55 174.40 1s18 s VAL 156 N 0.27 1.37 0.43 0.71 1.01 0.26 -1.18 120.40 123.27 1s18 s VAL 156 Ca 0.12 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.24 1s18 s VAL 156 Cb -0.12 -1.56 -0.06 0.00 0.00 0.00 0.00 36.38 34.64 1s18 s VAL 156 CO 0.01 0.05 0.09 -0.83 0.00 0.00 0.00 175.10 174.43 1s18 s GLY 157 N 1.50 2.48 0.00 4.51 0.00 -0.32 -0.59 107.32 114.90 1s18 s GLY 157 Ca -0.02 -2.01 0.00 0.00 0.00 0.00 0.00 44.72 42.69 1s18 s GLY 157 CO -0.07 -2.03 0.00 0.61 0.00 0.00 0.00 173.10 171.61 1s18 n GLY 158 N -1.14 5.34 0.31 0.20 0.00 -1.26 0.37 105.19 109.01 1s18 n GLY 158 Ca -0.05 -2.09 0.17 0.00 0.00 0.00 0.00 46.02 44.05 1s18 n GLY 158 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1s18 h LEU 159 N 0.00 0.00 0.00 0.99 -0.00 -1.69 -3.44 115.31 111.17 1s18 h LEU 159 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1s18 h LEU 159 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1s18 h LEU 159 CO 0.00 0.02 0.00 0.61 -0.00 0.00 0.00 178.44 179.07 1s18 n GLY 160 N -1.10 0.43 3.06 0.83 0.00 -0.59 -0.71 105.19 107.10 1s18 n GLY 160 Ca -0.03 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 1s18 n GLY 160 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s18 s LYS 161 N -1.81 0.49 0.26 1.61 -2.85 -1.26 -4.83 119.74 111.34 1s18 s LYS 161 Ca 0.00 -0.86 -0.29 0.00 -1.00 0.00 0.00 55.97 53.82 1s18 s LYS 161 Cb 0.00 0.18 -0.15 0.00 -2.06 0.00 0.00 37.83 35.80 1s18 s LYS 161 CO 0.00 -0.10 0.99 0.39 0.10 0.00 0.00 175.35 176.73 1s18 n GLU 162 N 0.85 1.17 -2.17 1.78 1.02 -1.26 -4.48 120.64 117.55 1s18 n GLU 162 Ca -0.19 0.41 -0.42 0.00 -0.02 0.00 0.00 57.16 56.94 1s18 n GLU 162 Cb 0.58 -1.77 -0.03 0.00 -0.02 0.00 0.00 31.44 30.20 1s18 n GLU 162 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1s18 s TRP 163 N -0.86 2.58 0.17 -0.32 -0.11 0.00 -4.93 118.94 115.47 1s18 s TRP 163 Ca 0.62 0.64 0.07 0.00 1.22 0.00 0.00 56.10 58.65 1s18 s TRP 163 Cb -0.76 -3.73 -0.04 0.00 -1.50 0.00 0.00 33.47 27.44 1s18 s TRP 163 CO 0.58 -2.82 -0.14 0.95 -4.62 0.00 0.00 176.95 170.89 1s18 s THR 164 N 3.02 1.57 1.16 5.86 -4.23 -1.26 0.47 115.64 122.23 1s18 s THR 164 Ca 0.66 -2.03 -0.15 0.00 -1.18 0.00 0.00 61.69 58.98 1s18 s THR 164 Cb -0.31 -1.87 0.22 0.00 1.34 0.00 0.00 72.50 71.88 1s18 s THR 164 CO 0.26 -0.54 0.60 0.35 -0.54 0.00 0.00 174.62 174.75 1s18 n THR 165 N -0.04 0.00 0.12 3.99 -2.24 -0.41 -4.80 114.28 110.91 1s18 n THR 165 Ca -0.11 -0.39 0.08 0.00 -2.27 0.00 0.00 64.05 61.36 1s18 n THR 165 Cb 0.59 -0.83 0.41 0.00 -2.10 0.00 0.00 70.33 68.40 1s18 n THR 165 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1s18 n THR 166 N -4.76 1.23 0.59 4.28 -2.24 -1.26 -1.23 114.28 110.89 1s18 n THR 166 Ca 0.02 0.68 0.06 0.00 -2.27 0.00 0.00 64.05 62.54 1s18 n THR 166 Cb 0.57 -1.68 -0.02 0.00 -2.10 0.00 0.00 70.33 67.10 1s18 n THR 166 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1s18 n THR 167 N -2.03 0.00 0.00 4.28 -2.24 -1.26 -0.42 114.28 112.61 1s18 n THR 167 Ca -0.01 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1s18 n THR 167 Cb 0.06 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1s18 n THR 167 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s18 n GLY 168 N 1.12 1.09 3.64 3.38 0.00 -0.36 -4.68 105.19 109.38 1s18 n GLY 168 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1s18 n GLY 168 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s18 s ASP 169 N -2.00 6.82 0.11 1.61 3.68 -1.26 -4.80 116.67 120.83 1s18 s ASP 169 Ca 0.00 1.02 -0.31 0.00 2.13 0.00 0.00 52.55 55.39 1s18 s ASP 169 Cb 0.00 -2.43 -0.09 0.00 -1.45 0.00 0.00 42.92 38.95 1s18 s ASP 169 CO 0.00 -0.51 1.55 -0.69 0.13 0.00 0.00 175.17 175.65 1s18 s VAL 170 N 2.84 2.97 -0.19 1.11 1.01 -1.26 -1.28 120.40 125.60 1s18 s VAL 170 Ca 0.35 0.60 -0.10 0.00 0.00 0.00 0.00 61.98 62.82 1s18 s VAL 170 Cb -0.15 -3.38 -0.08 0.00 0.00 0.00 0.00 36.38 32.76 1s18 s VAL 170 CO 0.07 0.03 -0.26 0.52 0.00 0.00 0.00 175.10 175.47 1s18 n VAL 171 N 4.28 1.13 -3.85 2.92 0.31 0.18 -4.96 118.33 118.33 1s18 n VAL 171 Ca 0.14 -0.22 -0.08 0.00 -0.01 0.00 0.00 64.34 64.17 1s18 n VAL 171 Cb 0.40 -1.81 -0.01 0.00 -0.91 0.00 0.00 33.84 31.51 1s18 n VAL 171 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1s18 s ASN 172 N -6.69 -0.15 -0.16 4.52 2.20 -1.19 -5.01 114.94 108.47 1s18 s ASN 172 Ca -0.27 -0.82 0.16 0.00 -0.94 0.00 0.00 52.86 50.99 1s18 s ASN 172 Cb 0.10 0.77 0.57 0.00 -2.00 0.00 0.00 41.25 40.68 1s18 s ASN 172 CO 0.34 -1.46 1.47 -0.62 -2.94 0.00 0.00 177.10 173.90 1s18 n GLU 173 N -0.48 3.32 -0.08 3.55 1.02 -1.26 -0.82 120.64 125.89 1s18 n GLU 173 Ca -0.05 -2.80 0.09 0.00 -0.02 0.00 0.00 57.16 54.38 1s18 n GLU 173 Cb 0.59 -1.84 0.45 0.00 -0.02 0.00 0.00 31.44 30.62 1s18 n GLU 173 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1s18 h ASN 174 N 2.40 0.45 0.24 1.62 2.35 -1.96 -0.66 115.58 120.02 1s18 h ASN 174 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1s18 h ASN 174 Cb 1.44 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.72 1s18 h ASN 174 CO 0.24 0.29 0.00 -2.65 -1.65 0.00 0.00 177.43 173.66 1s18 n PRO 175 N -4.48 0.22 -0.28 0.81 -0.02 -1.26 -2.31 135.00 127.68 1s18 n PRO 175 Ca 0.08 0.14 0.12 0.00 -2.02 0.00 0.00 63.50 61.82 1s18 n PRO 175 Cb 0.27 -1.50 0.27 0.00 -0.02 0.00 0.00 33.50 32.53 1s18 n PRO 175 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1s18 n GLU 176 N -1.26 2.62 -3.45 -0.52 1.02 -0.26 -1.54 120.64 117.26 1s18 n GLU 176 Ca 0.07 -2.49 -0.30 0.00 -0.02 0.00 0.00 57.16 54.43 1s18 n GLU 176 Cb 0.11 -1.55 -0.04 0.00 -0.02 0.00 0.00 31.44 29.94 1s18 n GLU 176 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1s18 s TRP 177 N -1.25 3.47 -0.02 -0.32 0.52 -0.98 -0.84 118.94 119.51 1s18 s TRP 177 Ca 0.44 0.65 0.05 0.00 0.02 0.00 0.00 56.10 57.26 1s18 s TRP 177 Cb 0.24 -2.10 -0.01 0.00 -1.15 0.00 0.00 33.47 30.46 1s18 s TRP 177 CO 0.33 0.26 -0.17 0.08 0.02 0.00 0.00 176.95 177.47 1s18 s VAL 178 N -1.93 1.34 -0.07 4.03 1.01 0.26 -4.13 120.40 120.91 1s18 s VAL 178 Ca 0.44 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 1s18 s VAL 178 Cb -0.11 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 1s18 s VAL 178 CO 0.27 0.38 0.23 -0.54 0.00 0.00 0.00 175.10 175.44 1s18 s LYS 179 N -0.35 3.59 -0.20 2.72 3.01 0.24 -0.44 119.74 128.30 1s18 s LYS 179 Ca 0.06 0.02 0.01 0.00 -1.01 0.00 0.00 55.97 55.05 1s18 s LYS 179 Cb -0.07 -3.18 0.03 0.00 -1.01 0.00 0.00 37.83 33.60 1s18 s LYS 179 CO -0.00 0.74 -0.17 0.08 0.51 0.00 0.00 175.35 176.50 1s18 s VAL 180 N -1.09 2.16 -0.16 3.17 1.01 0.14 -0.58 120.40 125.05 1s18 s VAL 180 Ca 0.19 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 1s18 s VAL 180 Cb -0.13 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 1s18 s VAL 180 CO 0.09 0.40 -0.12 -0.69 0.00 0.00 0.00 175.10 174.77 1s18 s VAL 181 N 1.26 2.92 0.80 2.92 1.01 0.85 -0.87 120.40 129.29 1s18 s VAL 181 Ca 0.02 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 1s18 s VAL 181 Cb -0.15 -2.26 0.07 0.00 0.00 0.00 0.00 36.38 34.05 1s18 s VAL 181 CO -0.11 0.50 1.15 -0.83 0.00 0.00 0.00 175.10 175.81 1s18 s GLY 182 N 0.86 1.60 0.22 4.51 0.00 0.35 -0.38 107.32 114.47 1s18 s GLY 182 Ca -0.04 -0.53 0.23 0.00 0.00 0.00 0.00 44.72 44.39 1s18 s GLY 182 CO -0.00 -0.06 1.71 1.58 0.00 0.00 0.00 173.10 176.33 1s18 n TYR 183 N -3.33 0.74 0.27 1.90 0.18 -1.26 -0.77 117.16 114.89 1s18 n TYR 183 Ca 0.07 0.28 0.11 0.00 1.88 0.00 0.00 57.90 60.24 1s18 n TYR 183 Cb 0.60 -0.95 0.20 0.00 -0.38 0.00 0.00 39.34 38.81 1s18 n TYR 183 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1s18 n LYS 184 N -2.16 2.41 0.00 -3.48 5.02 -1.26 -4.97 118.16 113.73 1s18 n LYS 184 Ca 0.03 -2.21 0.00 0.00 -2.02 0.00 0.00 58.31 54.11 1s18 n LYS 184 Cb 0.26 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1s18 n LYS 184 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s18 n GLY 185 N 1.38 1.15 3.77 0.72 0.00 0.05 -5.09 105.19 107.17 1s18 n GLY 185 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1s18 n GLY 185 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s18 s SER 186 N -2.00 6.57 -0.10 1.61 1.04 -1.25 -4.73 113.70 114.84 1s18 s SER 186 Ca 0.00 2.56 0.04 0.00 0.48 0.00 0.00 55.95 59.02 1s18 s SER 186 Cb 0.00 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1s18 s SER 186 CO 0.00 -0.66 -0.22 -0.69 0.98 0.00 0.00 173.24 172.65 1s18 s VAL 187 N -1.26 1.91 0.17 5.02 1.01 -1.26 -0.50 120.40 125.50 1s18 s VAL 187 Ca 0.54 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.68 1s18 s VAL 187 Cb -0.36 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1s18 s VAL 187 CO 0.47 0.53 -0.14 -1.81 0.00 0.00 0.00 175.10 174.15 1s18 s ASP 188 N 0.45 4.03 -0.13 3.32 1.01 -0.05 -4.97 116.67 120.32 1s18 s ASP 188 Ca -0.17 -0.64 0.02 0.00 0.71 0.00 0.00 52.55 52.47 1s18 s ASP 188 Cb -0.17 -0.60 0.01 0.00 1.01 0.00 0.00 42.92 43.17 1s18 s ASP 188 CO 0.07 0.12 -0.18 -1.00 0.21 0.00 0.00 175.17 174.39 1s18 s HIS 189 N -1.62 2.29 -0.02 4.23 3.76 -1.26 -0.69 115.29 121.98 1s18 s HIS 189 Ca 0.23 -1.17 0.08 0.00 -0.15 0.00 0.00 55.06 54.05 1s18 s HIS 189 Cb -0.09 -1.62 -0.02 0.00 1.11 0.00 0.00 32.58 31.96 1s18 s HIS 189 CO 0.13 -0.58 -0.26 -1.21 -0.85 0.00 0.00 174.74 171.97 1s18 s GLU 190 N 1.05 2.16 -0.38 1.40 2.02 0.41 -4.97 118.70 120.38 1s18 s GLU 190 Ca -0.04 -0.92 -0.21 0.00 0.02 0.00 0.00 54.97 53.82 1s18 s GLU 190 Cb -0.15 -2.06 0.01 0.00 0.10 0.00 0.00 34.13 32.04 1s18 s GLU 190 CO -0.04 0.54 0.66 1.21 0.02 0.00 0.00 175.26 177.65 1s18 s ASN 191 N -0.57 6.41 -0.15 -0.19 3.84 -1.26 -0.58 114.94 122.44 1s18 s ASN 191 Ca 0.09 0.03 0.16 0.00 0.21 0.00 0.00 52.86 53.35 1s18 s ASN 191 Cb -0.10 -2.33 0.58 0.00 -0.55 0.00 0.00 41.25 38.84 1s18 s ASN 191 CO -0.01 -0.67 1.49 0.79 -2.79 0.00 0.00 177.10 175.91 1s18 n TRP 192 N 6.17 1.15 -0.16 0.43 7.02 -0.02 -4.61 117.44 127.41 1s18 n TRP 192 Ca -0.01 -0.75 -0.03 0.00 -1.02 0.00 0.00 57.50 55.69 1s18 n TRP 192 Cb 0.48 -0.30 0.04 0.00 -2.42 0.00 0.00 31.31 29.12 1s18 n TRP 192 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1s18 h VAL 193 N 2.57 0.50 -0.81 -0.99 2.07 -1.90 0.30 116.25 117.98 1s18 h VAL 193 Ca 0.00 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1s18 h VAL 193 Cb 1.43 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 1s18 h VAL 193 CO 0.24 0.00 0.34 -1.28 0.02 0.00 0.00 177.57 176.89 1s18 h SER 194 N 0.01 1.10 -0.10 0.57 0.87 -1.93 -0.60 113.55 113.47 1s18 h SER 194 Ca 0.25 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1s18 h SER 194 Cb 0.38 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1s18 h SER 194 CO -0.52 0.96 0.03 0.78 -0.53 0.00 0.00 176.83 177.55 1s18 h ASN 195 N 1.17 0.15 -0.44 6.23 -0.26 -1.64 -0.57 115.58 120.23 1s18 h ASN 195 Ca 0.27 -0.21 -0.06 0.00 -0.56 0.00 0.00 56.30 55.74 1s18 h ASN 195 Cb 0.19 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.39 1s18 h ASN 195 CO -0.03 0.32 0.06 1.88 -1.06 0.00 0.00 177.43 178.61 1s18 h TYR 196 N -0.03 0.84 -0.55 1.19 0.05 -0.82 -1.69 116.97 115.97 1s18 h TYR 196 Ca 0.03 -0.10 -0.07 0.00 0.05 0.00 0.00 58.73 58.64 1s18 h TYR 196 Cb 0.23 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.71 1s18 h TYR 196 CO 0.00 0.75 0.06 -0.91 -1.05 0.00 0.00 178.16 177.00 1s18 h ASN 197 N 0.76 0.85 -0.56 3.88 2.35 -0.93 -1.70 115.58 120.23 1s18 h ASN 197 Ca 0.16 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 1s18 h ASN 197 Cb 0.38 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1s18 h ASN 197 CO 0.01 0.88 0.04 0.00 -1.65 0.00 0.00 177.43 176.72 1s18 h ALA 198 N 1.22 0.96 -0.41 -0.83 0.00 -0.68 -0.16 119.26 119.36 1s18 h ALA 198 Ca 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1s18 h ALA 198 Cb 0.42 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1s18 h ALA 198 CO 0.01 0.64 0.20 -0.07 0.00 0.00 0.00 179.25 180.03 1s18 h LEU 199 N 0.92 0.54 -0.25 0.00 3.38 -1.08 -1.13 115.31 117.69 1s18 h LEU 199 Ca 0.18 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1s18 h LEU 199 Cb 0.47 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1s18 h LEU 199 CO 0.02 0.51 0.07 -0.09 0.09 0.00 0.00 178.44 179.04 1s18 h ARG 200 N 0.53 0.39 -0.92 1.13 2.43 -1.09 -2.74 114.38 114.12 1s18 h ARG 200 Ca 0.14 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1s18 h ARG 200 Cb 0.11 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 1s18 h ARG 200 CO -0.02 0.48 0.60 0.00 -1.51 0.00 0.00 179.97 179.52 1s18 h ALA 201 N 0.90 1.16 0.00 2.80 0.00 -0.88 -2.26 119.26 120.98 1s18 h ALA 201 Ca 0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1s18 h ALA 201 Cb 0.25 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1s18 h ALA 201 CO -0.00 0.57 -0.18 0.00 0.00 0.00 0.00 179.25 179.64 1s18 h ALA 202 N 1.33 1.49 -0.00 0.00 0.00 -1.00 -0.98 119.26 120.10 1s18 h ALA 202 Ca 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1s18 h ALA 202 Cb -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1s18 h ALA 202 CO -0.07 0.22 -0.00 0.00 0.00 0.00 0.00 179.25 179.40 1s18 n ALA 203 N -2.41 2.68 -2.17 0.00 0.00 -0.87 -4.79 120.51 112.96 1s18 n ALA 203 Ca -0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 53.44 53.18 1s18 n ALA 203 Cb 0.26 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1s18 n ALA 203 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s18 n GLY 204 N 1.01 0.27 3.26 0.00 0.00 -0.37 -5.05 105.19 104.31 1s18 n GLY 204 Ca 0.24 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 1s18 n GLY 204 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s18 s ILE 205 N -2.33 2.40 0.18 -0.61 1.01 -1.06 -5.06 121.20 115.73 1s18 s ILE 205 Ca 0.02 -0.89 0.09 0.00 0.00 0.00 0.00 60.65 59.87 1s18 s ILE 205 Cb -0.01 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 1s18 s ILE 205 CO 0.02 0.54 -0.08 -1.10 0.00 0.00 0.00 174.94 174.32 1s18 s GLN 206 N 0.47 2.12 0.49 2.79 -1.52 -1.26 -3.88 119.66 118.86 1s18 s GLN 206 Ca -0.13 -1.23 -0.23 0.00 -1.95 0.00 0.00 55.36 51.82 1s18 s GLN 206 Cb -0.17 -2.20 -0.08 0.00 -0.22 0.00 0.00 33.01 30.34 1s18 s GLN 206 CO 0.05 0.44 1.11 -2.30 -0.25 0.00 0.00 175.29 174.34 1s18 n PRO 207 N 0.05 1.42 -0.23 2.91 -0.02 -1.26 -0.59 135.00 137.28 1s18 n PRO 207 Ca -0.11 0.52 0.03 0.00 -2.02 0.00 0.00 63.50 61.92 1s18 n PRO 207 Cb 0.55 -2.24 0.13 0.00 -0.02 0.00 0.00 33.50 31.93 1s18 n PRO 207 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1s18 n PRO 208 N -0.35 2.03 -1.10 0.52 -0.04 -1.26 -5.09 135.00 129.71 1s18 n PRO 208 Ca 0.10 -1.03 -0.29 0.00 -0.04 0.00 0.00 63.50 62.24 1s18 n PRO 208 Cb 0.42 -1.52 0.18 0.00 -0.04 0.00 0.00 33.50 32.55 1s18 n PRO 208 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1s18 s GLY 209 N -0.60 1.57 0.18 0.55 0.00 0.24 -3.57 107.32 105.70 1s18 s GLY 209 Ca 0.18 -0.30 -0.17 0.00 0.00 0.00 0.00 44.72 44.43 1s18 s GLY 209 CO 0.08 0.31 0.50 -2.52 0.00 0.00 0.00 173.10 171.47 1s18 s TYR 210 N -2.91 -0.15 0.11 1.90 -0.85 -0.45 -4.78 117.35 110.23 1s18 s TYR 210 Ca 0.65 -0.18 0.09 0.00 -0.52 0.00 0.00 57.07 57.12 1s18 s TYR 210 Cb -0.19 0.37 -0.04 0.00 0.38 0.00 0.00 41.96 42.47 1s18 s TYR 210 CO 0.58 -0.87 -0.21 -0.51 -1.52 0.00 0.00 175.55 173.03 1s18 s LEU 211 N -2.85 2.57 -0.11 -3.49 1.43 -1.26 -1.49 118.68 113.47 1s18 s LEU 211 Ca 0.08 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 1s18 s LEU 211 Cb -0.00 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.76 1s18 s LEU 211 CO -0.05 0.19 -0.18 -0.63 0.23 0.00 0.00 176.35 175.90 1s18 s ILE 212 N -1.09 2.59 -0.14 -0.59 1.01 -0.34 -4.53 121.20 118.10 1s18 s ILE 212 Ca 0.16 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 1s18 s ILE 212 Cb -0.10 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 1s18 s ILE 212 CO 0.08 0.54 -0.07 -1.00 0.00 0.00 0.00 174.94 174.50 1s18 s HIS 213 N 0.27 2.95 -0.01 3.97 3.76 0.11 -0.45 115.29 125.89 1s18 s HIS 213 Ca -0.13 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.40 1s18 s HIS 213 Cb -0.16 -1.91 0.03 0.00 1.11 0.00 0.00 32.58 31.65 1s18 s HIS 213 CO 0.07 -0.07 0.89 0.39 -0.85 0.00 0.00 174.74 175.17 1s18 n GLU 214 N 3.46 1.96 -3.55 1.40 1.02 -1.26 -3.99 120.64 119.67 1s18 n GLU 214 Ca -0.18 -1.35 -0.16 0.00 -0.02 0.00 0.00 57.16 55.45 1s18 n GLU 214 Cb 0.53 -0.91 -0.06 0.00 -0.02 0.00 0.00 31.44 30.97 1s18 n GLU 214 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1s18 s SER 215 N -0.96 -0.63 -0.12 1.62 1.04 -1.26 -4.42 113.70 108.97 1s18 s SER 215 Ca 0.03 0.82 -0.29 0.00 0.48 0.00 0.00 55.95 56.99 1s18 s SER 215 Cb 0.03 0.70 0.08 0.00 0.10 0.00 0.00 66.02 66.92 1s18 s SER 215 CO 0.00 -0.49 0.73 0.00 0.98 0.00 0.00 173.24 174.46 1s18 s ALA 216 N -0.83 -1.79 0.02 5.32 0.00 -1.26 -4.01 121.76 119.21 1s18 s ALA 216 Ca -0.07 1.55 0.02 0.00 0.00 0.00 0.00 51.96 53.46 1s18 s ALA 216 Cb -0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 1s18 s ALA 216 CO 0.07 -0.35 -0.06 0.00 0.00 0.00 0.00 175.76 175.41 1s18 s TRP 218 N -0.71 3.44 -0.33 0.00 -0.11 -1.26 -0.45 118.94 119.52 1s18 s TRP 218 Ca -0.04 0.36 -0.07 0.00 1.22 0.00 0.00 56.10 57.57 1s18 s TRP 218 Cb -0.06 -2.03 0.03 0.00 -1.50 0.00 0.00 33.47 29.92 1s18 s TRP 218 CO 0.00 0.47 0.11 0.45 -4.62 0.00 0.00 176.95 173.36 1s18 s SER 219 N -0.30 5.32 0.31 5.86 0.15 -0.57 -4.84 113.70 119.63 1s18 s SER 219 Ca 0.10 -1.05 0.00 0.00 0.70 0.00 0.00 55.95 55.71 1s18 s SER 219 Cb -0.12 -1.89 0.51 0.00 -1.71 0.00 0.00 66.02 62.82 1s18 s SER 219 CO 0.01 -0.31 1.92 0.44 1.20 0.00 0.00 173.24 176.51 1s18 h ASP 220 N 8.25 0.76 -0.53 5.45 3.32 -1.92 0.18 116.42 131.93 1s18 h ASP 220 Ca -0.25 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 1s18 h ASP 220 Cb 1.09 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.42 1s18 h ASP 220 CO 0.61 0.64 0.30 0.74 -1.72 0.00 0.00 179.24 179.81 1s18 h THR 221 N 0.85 1.17 -0.00 0.35 2.02 -1.95 -3.10 112.91 112.25 1s18 h THR 221 Ca 0.21 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1s18 h THR 221 Cb 0.08 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1s18 h THR 221 CO -0.03 0.18 -0.81 0.18 0.37 0.00 0.00 175.52 175.42 1s18 n LEU 222 N -4.64 1.14 -3.69 2.58 4.77 -1.20 -4.99 117.00 110.97 1s18 n LEU 222 Ca 0.03 -0.56 -0.23 0.00 -0.03 0.00 0.00 56.01 55.22 1s18 n LEU 222 Cb 0.08 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1s18 n LEU 222 CO 0.36 0.26 0.06 0.00 -1.33 0.00 0.00 177.39 176.74 1s18 n GLN 223 N -1.15 -5.86 -3.99 3.23 1.13 0.63 -5.01 117.38 106.36 1s18 n GLN 223 Ca 0.05 0.69 -0.09 0.00 -1.94 0.00 0.00 57.00 55.71 1s18 n GLN 223 Cb 0.33 -5.49 -0.11 0.00 0.11 0.00 0.00 30.24 25.08 1s18 n GLN 223 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1s18 s ARG 224 N -6.08 0.38 0.20 -1.09 1.81 -1.16 -4.34 118.95 108.67 1s18 s ARG 224 Ca 0.26 -0.72 -0.21 0.00 -1.72 0.00 0.00 55.73 53.34 1s18 s ARG 224 Cb -0.12 0.14 -0.08 0.00 -0.45 0.00 0.00 34.95 34.43 1s18 s ARG 224 CO 0.79 -0.07 0.74 -1.58 -0.68 0.00 0.00 175.30 174.50 1s18 s TRP 225 N -1.95 3.73 -0.01 -0.53 0.52 0.32 -1.52 118.94 119.51 1s18 s TRP 225 Ca -0.11 1.46 0.06 0.00 0.02 0.00 0.00 56.10 57.53 1s18 s TRP 225 Cb -0.06 -2.66 -0.02 0.00 -1.15 0.00 0.00 33.47 29.58 1s18 s TRP 225 CO -0.03 0.39 -0.19 -0.06 0.02 0.00 0.00 176.95 177.08 1s18 s PHE 226 N -1.41 1.74 -0.00 -1.98 0.08 0.41 0.01 117.98 116.84 1s18 s PHE 226 Ca 0.41 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 57.14 1s18 s PHE 226 Cb -0.19 -1.11 -0.01 0.00 -0.57 0.00 0.00 43.02 41.15 1s18 s PHE 226 CO 0.22 -0.01 -0.08 -0.06 -0.10 0.00 0.00 175.22 175.19 1s18 s PHE 227 N -0.51 0.69 -0.60 0.36 0.08 0.03 -1.49 117.98 116.56 1s18 s PHE 227 Ca 0.07 -0.16 0.05 0.00 0.12 0.00 0.00 56.93 57.01 1s18 s PHE 227 Cb -0.08 -0.44 0.17 0.00 -0.57 0.00 0.00 43.02 42.11 1s18 s PHE 227 CO -0.00 -0.01 0.45 1.28 -0.10 0.00 0.00 175.22 176.83 1s18 n LEU 228 N 2.76 1.77 -4.69 -0.37 4.77 -1.26 -1.07 117.00 118.92 1s18 n LEU 228 Ca -0.14 -4.92 -0.41 0.00 -0.03 0.00 0.00 56.01 50.51 1s18 n LEU 228 Cb 0.57 -0.27 0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1s18 n LEU 228 CO 0.25 1.81 0.83 -0.81 -1.33 0.00 0.00 177.39 178.14 1s18 n PRO 229 N 2.22 1.82 0.11 3.23 -0.04 -1.25 -4.59 135.00 136.50 1s18 n PRO 229 Ca 0.24 0.65 -0.03 0.00 -0.04 0.00 0.00 63.50 64.32 1s18 n PRO 229 Cb 0.40 -2.33 0.18 0.00 -0.04 0.00 0.00 33.50 31.71 1s18 n PRO 229 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1s18 h ARG 230 N 1.99 0.15 -3.81 0.54 2.43 -0.86 -3.38 114.38 111.43 1s18 h ARG 230 Ca -0.47 -0.09 -0.19 0.00 -0.81 0.00 0.00 59.98 58.42 1s18 h ARG 230 Cb 1.30 0.01 -0.23 0.00 -0.42 0.00 0.00 29.97 30.63 1s18 h ARG 230 CO 0.59 0.66 -0.67 1.03 -1.51 0.00 0.00 179.97 180.07 1s18 s ARG 231 N -3.83 0.23 -0.07 0.20 1.81 -1.08 -3.77 118.95 112.44 1s18 s ARG 231 Ca -0.03 -0.35 -0.04 0.00 -1.72 0.00 0.00 55.73 53.59 1s18 s ARG 231 Cb 0.13 0.09 0.03 0.00 -0.45 0.00 0.00 34.95 34.74 1s18 s ARG 231 CO 0.78 -0.04 0.15 0.00 -0.68 0.00 0.00 175.30 175.51 1s18 s ALA 232 N -0.91 -0.32 -0.02 2.13 0.00 -0.25 -1.20 121.76 121.20 1s18 s ALA 232 Ca -0.10 0.62 -0.04 0.00 0.00 0.00 0.00 51.96 52.44 1s18 s ALA 232 Cb -0.06 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1s18 s ALA 232 CO -0.00 -0.13 0.10 0.45 0.00 0.00 0.00 175.76 176.17 1s18 s SER 233 N 0.84 -0.02 0.14 0.00 0.15 -0.56 -4.76 113.70 109.49 1s18 s SER 233 Ca -0.06 -0.02 0.26 0.00 0.70 0.00 0.00 55.95 56.83 1s18 s SER 233 Cb -0.08 0.21 0.79 0.00 -1.71 0.00 0.00 66.02 65.22 1s18 s SER 233 CO -0.04 -0.18 1.70 0.00 1.20 0.00 0.00 173.24 175.91 1s18 n GLN 234 N 2.31 0.20 -4.03 5.44 1.13 -1.26 -1.34 117.38 119.82 1s18 n GLN 234 Ca -0.17 0.13 -0.22 0.00 -1.94 0.00 0.00 57.00 54.80 1s18 n GLN 234 Cb 0.57 -1.70 -0.04 0.00 0.11 0.00 0.00 30.24 29.18 1s18 n GLN 234 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1s18 s GLU 235 N -3.09 2.86 0.70 -1.09 8.01 -1.26 -3.51 118.70 121.32 1s18 s GLU 235 Ca 0.10 -1.13 -0.16 0.00 0.01 0.00 0.00 54.97 53.80 1s18 s GLU 235 Cb 0.14 -2.53 0.02 0.00 -4.31 0.00 0.00 34.13 27.45 1s18 s GLU 235 CO 0.61 0.32 1.26 -0.98 0.01 0.00 0.00 175.26 176.48 1s18 s ARG 236 N -3.88 2.25 0.21 1.61 1.04 -1.23 -4.09 118.95 114.86 1s18 s ARG 236 Ca 0.35 1.94 -0.30 0.00 -1.04 0.00 0.00 55.73 56.68 1s18 s ARG 236 Cb -0.07 -1.82 -0.09 0.00 -2.04 0.00 0.00 34.95 30.92 1s18 s ARG 236 CO 0.25 -1.80 1.37 -0.47 -0.04 0.00 0.00 175.30 174.61 1s18 s TYR 237 N -1.67 3.16 -0.05 5.89 5.04 -1.26 -4.96 117.35 123.51 1s18 s TYR 237 Ca 0.79 1.13 -0.07 0.00 -2.44 0.00 0.00 57.07 56.48 1s18 s TYR 237 Cb -0.34 -3.69 0.01 0.00 0.35 0.00 0.00 41.96 38.29 1s18 s TYR 237 CO 0.43 -2.23 0.17 -1.54 -1.34 0.00 0.00 175.55 171.04 1s18 s SER 238 N 0.38 -0.13 0.24 4.32 1.04 -1.26 -3.08 113.70 115.22 1s18 s SER 238 Ca 0.58 0.20 -0.06 0.00 0.48 0.00 0.00 55.95 57.15 1s18 s SER 238 Cb -0.39 0.32 0.46 0.00 0.10 0.00 0.00 66.02 66.51 1s18 s SER 238 CO 0.40 -0.15 1.66 -0.08 0.98 0.00 0.00 173.24 176.05 1s18 h GLU 239 N 5.39 0.19 0.39 4.02 4.81 -1.05 0.51 114.58 128.85 1s18 h GLU 239 Ca -0.27 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 1s18 h GLU 239 Cb 1.20 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1s18 h GLU 239 CO 0.40 0.13 -0.19 -0.22 -0.73 0.00 0.00 179.01 178.40 1s18 h LYS 240 N 0.20 -0.50 -0.32 1.92 3.64 -1.97 -3.08 116.57 116.45 1s18 h LYS 240 Ca 0.42 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.74 1s18 h LYS 240 Cb 0.73 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 1s18 h LYS 240 CO -0.57 -0.33 -0.19 -0.44 -2.27 0.00 0.00 179.45 175.65 1s18 h ASP 241 N -0.52 0.59 -0.12 4.20 3.32 -1.86 -2.77 116.42 119.26 1s18 h ASP 241 Ca -0.05 -0.19 0.03 0.00 0.02 0.00 0.00 57.03 56.85 1s18 h ASP 241 Cb 0.40 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1s18 h ASP 241 CO 0.09 0.79 0.11 -0.78 -1.72 0.00 0.00 179.24 177.73 1s18 h ASP 242 N 0.53 0.00 -0.65 6.45 3.58 -0.85 -2.14 116.42 123.34 1s18 h ASP 242 Ca 0.09 0.00 0.19 0.00 0.42 0.00 0.00 57.03 57.72 1s18 h ASP 242 Cb 0.62 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 1s18 h ASP 242 CO 0.04 0.00 0.55 -0.33 -2.88 0.00 0.00 179.24 176.63 1s18 h GLU 243 N 0.00 0.00 -0.06 0.28 5.08 -1.41 -1.99 114.58 116.49 1s18 h GLU 243 Ca 0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1s18 h GLU 243 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1s18 h GLU 243 CO -0.00 0.00 -0.27 0.54 -1.00 0.00 0.00 179.01 178.28 1s18 n ARG 244 N -3.99 1.59 -0.86 2.33 1.74 -0.81 -4.38 116.66 112.29 1s18 n ARG 244 Ca 0.13 -3.05 -0.06 0.00 -0.77 0.00 0.00 57.85 54.10 1s18 n ARG 244 Cb 0.80 -1.62 0.23 0.00 -1.02 0.00 0.00 32.46 30.85 1s18 n ARG 244 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1s18 n LYS 245 N -1.19 2.57 -1.42 5.56 4.76 -0.75 -4.66 118.16 123.03 1s18 n LYS 245 Ca 0.20 -3.06 -0.41 0.00 -2.87 0.00 0.00 58.31 52.17 1s18 n LYS 245 Cb 0.73 -1.98 0.01 0.00 -1.84 0.00 0.00 35.03 31.95 1s18 n LYS 245 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s18 n GLY 246 N -0.78 -1.77 3.42 0.72 0.00 0.46 -1.09 105.19 106.15 1s18 n GLY 246 Ca 0.37 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 46.18 1s18 n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s18 s ALA 247 N -1.57 2.33 -0.13 4.61 0.00 -1.25 -4.64 121.76 121.12 1s18 s ALA 247 Ca 0.63 -1.88 0.16 0.00 0.00 0.00 0.00 51.96 50.87 1s18 s ALA 247 Cb -0.58 0.13 0.38 0.00 0.00 0.00 0.00 23.12 23.06 1s18 s ALA 247 CO 0.59 -0.04 1.18 0.27 0.00 0.00 0.00 175.76 177.76 1s18 n ASN 248 N -0.56 1.47 -4.78 0.00 6.94 -1.26 -4.72 115.26 112.35 1s18 n ASN 248 Ca -0.06 -3.14 -0.39 0.00 -0.02 0.00 0.00 54.58 50.98 1s18 n ASN 248 Cb 0.63 -0.43 -0.06 0.00 -2.36 0.00 0.00 39.78 37.56 1s18 n ASN 248 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1s18 s LEU 249 N -2.05 4.45 -0.19 -4.53 1.43 -1.26 -0.75 118.68 115.78 1s18 s LEU 249 Ca 0.34 1.17 -0.01 0.00 -1.03 0.00 0.00 54.13 54.59 1s18 s LEU 249 Cb 0.34 -2.89 -0.00 0.00 0.03 0.00 0.00 46.19 43.67 1s18 s LEU 249 CO -0.08 0.17 -0.11 -0.22 0.23 0.00 0.00 176.35 176.33 1s18 s LEU 250 N -0.51 2.61 -0.10 1.79 2.96 -0.08 -3.95 118.68 121.40 1s18 s LEU 250 Ca 0.30 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 1s18 s LEU 250 Cb -0.18 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 1s18 s LEU 250 CO 0.17 0.03 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.35 1s18 s LEU 251 N 1.17 2.82 -0.10 -0.68 1.02 -0.23 -0.67 118.68 122.01 1s18 s LEU 251 Ca 0.02 -0.23 0.04 0.00 0.02 0.00 0.00 54.13 53.98 1s18 s LEU 251 Cb -0.14 -1.62 -0.00 0.00 0.02 0.00 0.00 46.19 44.45 1s18 s LEU 251 CO -0.04 0.25 -0.24 -0.55 0.02 0.00 0.00 176.35 175.79 1s18 s SER 252 N -0.16 3.09 0.01 2.29 0.15 0.34 -0.79 113.70 118.64 1s18 s SER 252 Ca -0.00 -0.56 0.05 0.00 0.70 0.00 0.00 55.95 56.14 1s18 s SER 252 Cb -0.13 -1.37 -0.02 0.00 -1.71 0.00 0.00 66.02 62.79 1s18 s SER 252 CO 0.03 0.17 -0.15 0.00 1.20 0.00 0.00 173.24 174.48 1s18 s ALA 253 N 0.31 1.29 0.80 5.45 0.00 0.10 -0.47 121.76 129.24 1s18 s ALA 253 Ca -0.18 -0.76 -0.11 0.00 0.00 0.00 0.00 51.96 50.91 1s18 s ALA 253 Cb -0.18 -0.27 0.08 0.00 0.00 0.00 0.00 23.12 22.75 1s18 s ALA 253 CO 0.09 0.29 1.13 -1.54 0.00 0.00 0.00 175.76 175.72 1s18 s SER 254 N -0.72 3.99 0.60 0.00 1.04 -0.30 -0.52 113.70 117.78 1s18 s SER 254 Ca 0.05 2.03 0.32 0.00 0.48 0.00 0.00 55.95 58.82 1s18 s SER 254 Cb -0.07 -2.55 1.91 0.00 0.10 0.00 0.00 66.02 65.41 1s18 s SER 254 CO 0.00 -2.38 2.27 1.55 0.98 0.00 0.00 173.24 175.66 1s18 h PRO 255 N -1.16 0.00 -0.41 4.02 0.13 -1.92 -0.43 132.00 132.22 1s18 h PRO 255 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1s18 h PRO 255 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1s18 h PRO 255 CO 0.48 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.85 1s18 n ASP 256 N -3.74 2.64 -1.40 1.44 5.68 -1.26 -4.94 116.55 114.97 1s18 n ASP 256 Ca -0.03 -1.93 -0.18 0.00 -0.50 0.00 0.00 54.79 52.15 1s18 n ASP 256 Cb 0.08 -0.27 -0.08 0.00 -1.14 0.00 0.00 41.12 39.72 1s18 n ASP 256 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1s18 n PHE 257 N 0.95 0.00 0.71 2.11 3.72 -0.17 -4.86 117.46 119.91 1s18 n PHE 257 Ca 0.17 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.70 1s18 n PHE 257 Cb 0.44 -3.26 0.31 0.00 -0.94 0.00 0.00 39.48 36.04 1s18 n PHE 257 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s18 n GLY 258 N -0.33 -1.49 2.69 1.37 0.00 -1.26 -4.69 105.19 101.48 1s18 n GLY 258 Ca -0.18 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 1s18 n GLY 258 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s18 s ASP 259 N -3.97 1.93 -0.09 1.61 2.15 -1.26 -5.03 116.67 112.01 1s18 s ASP 259 Ca 0.09 -0.33 0.02 0.00 0.43 0.00 0.00 52.55 52.76 1s18 s ASP 259 Cb 0.14 -0.33 0.01 0.00 -0.30 0.00 0.00 42.92 42.44 1s18 s ASP 259 CO 0.66 -0.28 -0.15 -0.63 -0.17 0.00 0.00 175.17 174.60 1s18 s ILE 260 N 2.05 1.44 -0.15 4.11 1.01 -1.26 -1.16 121.20 127.25 1s18 s ILE 260 Ca 0.03 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 60.03 1s18 s ILE 260 Cb -0.14 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 1s18 s ILE 260 CO -0.06 0.43 -0.09 0.00 0.00 0.00 0.00 174.94 175.21 1s18 s ALA 261 N 0.80 2.76 -0.12 9.38 0.00 0.38 -4.96 121.76 129.99 1s18 s ALA 261 Ca -0.11 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1s18 s ALA 261 Cb -0.16 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 1s18 s ALA 261 CO 0.02 0.17 -0.12 0.08 0.00 0.00 0.00 175.76 175.90 1s18 s VAL 262 N 0.47 3.17 0.36 0.00 1.01 -1.26 -0.50 120.40 123.64 1s18 s VAL 262 Ca -0.07 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.33 1s18 s VAL 262 Cb -0.15 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1s18 s VAL 262 CO 0.04 0.53 0.21 -0.94 0.00 0.00 0.00 175.10 174.94 1s18 s SER 263 N 0.15 2.05 -0.01 3.32 1.04 0.15 -5.00 113.70 115.41 1s18 s SER 263 Ca -0.06 -1.71 0.07 0.00 0.48 0.00 0.00 55.95 54.73 1s18 s SER 263 Cb -0.15 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 1s18 s SER 263 CO 0.05 -1.00 -0.23 -1.00 0.98 0.00 0.00 173.24 172.03 1s18 s HIS 264 N -3.39 2.06 -0.21 5.02 3.76 -1.26 -0.91 115.29 120.36 1s18 s HIS 264 Ca 0.34 -0.39 -0.01 0.00 -0.15 0.00 0.00 55.06 54.85 1s18 s HIS 264 Cb 0.03 -1.32 0.06 0.00 1.11 0.00 0.00 32.58 32.46 1s18 s HIS 264 CO 0.21 -0.02 -0.02 0.14 -0.85 0.00 0.00 174.74 174.20 1s18 s VAL 265 N -0.56 1.07 0.00 -0.90 -7.23 0.07 -4.61 120.40 108.24 1s18 s VAL 265 Ca 0.09 -0.88 0.00 0.00 -1.81 0.00 0.00 61.98 59.38 1s18 s VAL 265 Cb -0.09 -1.42 0.00 0.00 0.56 0.00 0.00 36.38 35.43 1s18 s VAL 265 CO -0.01 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.27 1s18 n GLY 266 N 4.85 -1.52 3.93 2.32 0.00 -1.26 -4.75 105.19 108.76 1s18 n GLY 266 Ca -0.11 -1.22 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 1s18 n GLY 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s18 s ALA 267 N -1.48 3.62 -0.00 4.61 0.00 -1.26 -4.90 121.76 122.34 1s18 s ALA 267 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 50.86 1s18 s ALA 267 Cb 0.00 -2.23 -0.06 0.00 0.00 0.00 0.00 23.12 20.83 1s18 s ALA 267 CO 0.00 -0.09 1.48 0.08 0.00 0.00 0.00 175.76 177.23 1s18 s VAL 268 N -2.41 3.59 -0.33 0.00 1.01 -1.26 -4.72 120.40 116.28 1s18 s VAL 268 Ca 0.42 0.94 -0.01 0.00 0.00 0.00 0.00 61.98 63.33 1s18 s VAL 268 Cb -0.10 -3.61 0.07 0.00 0.00 0.00 0.00 36.38 32.75 1s18 s VAL 268 CO 0.38 -0.02 0.04 -0.69 0.00 0.00 0.00 175.10 174.81 1s18 s VAL 269 N 2.74 2.84 0.37 2.92 1.01 -1.26 -5.03 120.40 123.99 1s18 s VAL 269 Ca 0.67 -1.72 0.10 0.00 0.00 0.00 0.00 61.98 61.02 1s18 s VAL 269 Cb -0.33 -2.78 0.32 0.00 0.00 0.00 0.00 36.38 33.60 1s18 s VAL 269 CO 0.27 -0.31 1.89 -0.65 0.00 0.00 0.00 175.10 176.31 1s18 h PRO 270 N 7.92 0.63 -0.03 2.72 0.11 -1.83 -1.25 132.00 140.27 1s18 h PRO 270 Ca -0.16 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1s18 h PRO 270 Cb 1.05 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1s18 h PRO 270 CO 0.56 0.41 -0.13 0.25 -0.21 0.00 0.00 178.00 178.89 1s18 n THR 271 N -4.53 0.00 -4.11 -1.15 -2.24 -1.26 -0.40 114.28 100.59 1s18 n THR 271 Ca 0.16 -0.43 -0.35 0.00 -2.27 0.00 0.00 64.05 61.16 1s18 n THR 271 Cb 0.44 1.39 -0.11 0.00 -2.10 0.00 0.00 70.33 69.96 1s18 n THR 271 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1s18 s HIS 272 N -2.13 3.13 0.00 4.78 3.76 -0.47 -4.27 115.29 120.10 1s18 s HIS 272 Ca 0.26 -0.16 0.04 0.00 -0.15 0.00 0.00 55.06 55.05 1s18 s HIS 272 Cb 0.20 -2.06 -0.01 0.00 1.11 0.00 0.00 32.58 31.81 1s18 s HIS 272 CO 0.37 -0.01 -0.12 0.20 -0.85 0.00 0.00 174.74 174.34 1s18 s GLY 273 N 0.58 0.59 0.29 -2.22 0.00 -0.53 -4.14 107.32 101.89 1s18 s GLY 273 Ca 0.01 -0.55 -0.30 0.00 0.00 0.00 0.00 44.72 43.88 1s18 s GLY 273 CO 0.02 -0.48 1.60 0.69 0.00 0.00 0.00 173.10 174.93 1s18 n PHE 274 N 2.62 2.83 0.02 1.90 3.72 -1.26 -1.03 117.46 126.26 1s18 n PHE 274 Ca -0.15 0.25 0.02 0.00 -0.05 0.00 0.00 57.45 57.52 1s18 n PHE 274 Cb 0.56 -2.60 -0.03 0.00 -0.94 0.00 0.00 39.48 36.47 1s18 n PHE 274 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1s18 n SER 275 N 2.28 3.53 -3.57 4.37 3.41 0.42 -3.83 113.62 120.24 1s18 n SER 275 Ca 0.09 -0.07 -0.08 0.00 -0.26 0.00 0.00 58.87 58.56 1s18 n SER 275 Cb 0.36 1.19 -0.04 0.00 -0.26 0.00 0.00 64.21 65.46 1s18 n SER 275 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1s18 s SER 276 N -2.40 -0.28 0.07 4.04 0.15 -1.23 -4.49 113.70 109.56 1s18 s SER 276 Ca -0.01 0.18 -0.26 0.00 0.70 0.00 0.00 55.95 56.56 1s18 s SER 276 Cb 0.03 0.26 0.08 0.00 -1.71 0.00 0.00 66.02 64.67 1s18 s SER 276 CO 0.19 -0.35 0.67 0.72 1.20 0.00 0.00 173.24 175.67 1s18 s PHE 277 N -1.85 -0.54 0.02 3.44 -0.12 -1.26 -0.81 117.98 116.86 1s18 s PHE 277 Ca 0.03 0.53 -0.05 0.00 -0.05 0.00 0.00 56.93 57.39 1s18 s PHE 277 Cb -0.01 0.52 -0.01 0.00 -0.63 0.00 0.00 43.02 42.89 1s18 s PHE 277 CO -0.03 -0.73 0.08 0.15 -0.05 0.00 0.00 175.22 174.64 1s18 s LYS 278 N -2.93 0.51 0.30 1.99 -0.14 -0.33 -4.84 119.74 114.30 1s18 s LYS 278 Ca -0.02 -0.63 -0.29 0.00 -1.36 0.00 0.00 55.97 53.68 1s18 s LYS 278 Cb -0.01 0.20 -0.10 0.00 -1.68 0.00 0.00 37.83 36.24 1s18 s LYS 278 CO -0.06 -0.12 1.21 -0.06 -0.76 0.00 0.00 175.35 175.56 1s18 s PHE 279 N -2.05 3.30 0.06 3.18 0.08 -1.26 -1.28 117.98 120.01 1s18 s PHE 279 Ca -0.10 1.54 -0.31 0.00 0.12 0.00 0.00 56.93 58.18 1s18 s PHE 279 Cb -0.05 -3.50 -0.06 0.00 -0.57 0.00 0.00 43.02 38.85 1s18 s PHE 279 CO -0.02 -1.26 1.26 0.42 -0.10 0.00 0.00 175.22 175.51 1s18 s ILE 280 N -1.11 3.87 0.72 0.64 1.01 0.37 -4.87 121.20 121.83 1s18 s ILE 280 Ca 0.47 1.33 -0.16 0.00 0.00 0.00 0.00 60.65 62.29 1s18 s ILE 280 Cb -0.36 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.26 1s18 s ILE 280 CO 0.47 0.09 0.97 -2.65 0.00 0.00 0.00 174.94 173.82 1s18 n PRO 281 N 4.14 0.52 -2.89 2.79 -0.02 -1.26 -3.51 135.00 134.78 1s18 n PRO 281 Ca 0.10 0.23 -0.22 0.00 -2.02 0.00 0.00 63.50 61.59 1s18 n PRO 281 Cb 0.45 -2.22 0.03 0.00 -0.02 0.00 0.00 33.50 31.74 1s18 n PRO 281 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1s18 n ASN 282 N -1.66 -6.13 -0.05 2.55 5.03 -1.26 -4.88 115.26 108.86 1s18 n ASN 282 Ca 0.13 -0.23 0.05 0.00 0.87 0.00 0.00 54.58 55.40 1s18 n ASN 282 Cb 0.49 -4.98 0.07 0.00 -1.02 0.00 0.00 39.78 34.34 1s18 n ASN 282 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1s18 n THR 283 N -4.42 1.34 -3.17 3.41 -2.24 -1.23 -4.98 114.28 102.99 1s18 n THR 283 Ca -0.14 -1.52 -0.23 0.00 -2.27 0.00 0.00 64.05 59.89 1s18 n THR 283 Cb 0.64 0.17 0.02 0.00 -2.10 0.00 0.00 70.33 69.06 1s18 n THR 283 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1s18 n ASP 284 N -0.90 -5.12 -4.11 3.42 8.00 -1.26 -1.75 116.55 114.83 1s18 n ASP 284 Ca 0.08 -0.33 -0.34 0.00 0.71 0.00 0.00 54.79 54.91 1s18 n ASP 284 Cb 0.46 -4.16 -0.01 0.00 -0.02 0.00 0.00 41.12 37.39 1s18 n ASP 284 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1s18 n ASP 285 N -2.43 -3.53 -0.02 -2.24 8.00 -1.26 -4.88 116.55 110.20 1s18 n ASP 285 Ca -0.07 -0.94 0.09 0.00 0.71 0.00 0.00 54.79 54.58 1s18 n ASP 285 Cb 0.59 -3.12 -0.10 0.00 -0.02 0.00 0.00 41.12 38.47 1s18 n ASP 285 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s18 n GLN 286 N -4.47 0.85 -4.68 -1.24 1.13 -0.72 -4.89 117.38 103.36 1s18 n GLN 286 Ca 0.04 -0.04 -0.24 0.00 -1.94 0.00 0.00 57.00 54.82 1s18 n GLN 286 Cb 0.52 -1.38 -0.16 0.00 0.11 0.00 0.00 30.24 29.33 1s18 n GLN 286 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1s18 s ILE 287 N -2.74 1.20 -0.04 5.09 1.01 -1.26 -1.31 121.20 123.15 1s18 s ILE 287 Ca 0.07 -0.59 0.06 0.00 0.00 0.00 0.00 60.65 60.20 1s18 s ILE 287 Cb 0.14 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.55 1s18 s ILE 287 CO 0.76 0.35 -0.23 -0.63 0.00 0.00 0.00 174.94 175.19 1s18 s ILE 288 N 0.08 2.29 -0.14 2.92 1.01 0.38 -0.48 121.20 127.26 1s18 s ILE 288 Ca -0.03 -1.00 -0.05 0.00 0.00 0.00 0.00 60.65 59.56 1s18 s ILE 288 Cb -0.10 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 1s18 s ILE 288 CO 0.01 0.58 0.04 0.54 0.00 0.00 0.00 174.94 176.11 1s18 s VAL 289 N -0.49 4.58 0.04 2.92 0.11 -0.40 -0.76 120.40 126.40 1s18 s VAL 289 Ca 0.06 -0.12 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 1s18 s VAL 289 Cb -0.11 -3.01 -0.03 0.00 -1.53 0.00 0.00 36.38 31.70 1s18 s VAL 289 CO 0.01 0.52 -0.04 0.00 -3.33 0.00 0.00 175.10 172.26 1s18 s ALA 290 N -0.14 0.37 0.01 1.54 0.00 -0.31 -1.19 121.76 122.05 1s18 s ALA 290 Ca 0.06 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.23 1s18 s ALA 290 Cb -0.12 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 1s18 s ALA 290 CO 0.02 -0.18 -0.08 -0.51 0.00 0.00 0.00 175.76 175.00 1s18 s LEU 291 N -1.94 3.09 0.02 0.00 1.43 0.01 -1.51 118.68 119.78 1s18 s LEU 291 Ca -0.07 -0.18 0.09 0.00 -1.03 0.00 0.00 54.13 52.93 1s18 s LEU 291 Cb -0.05 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 1s18 s LEU 291 CO -0.03 0.28 -0.25 -0.54 0.23 0.00 0.00 176.35 176.04 1s18 s LYS 292 N -1.41 1.85 0.30 1.70 1.02 -0.53 -0.43 119.74 122.24 1s18 s LYS 292 Ca 0.17 -1.02 0.09 0.00 0.02 0.00 0.00 55.97 55.23 1s18 s LYS 292 Cb -0.11 -1.93 -0.05 0.00 -0.52 0.00 0.00 37.83 35.22 1s18 s LYS 292 CO 0.07 0.51 0.01 -1.54 -0.92 0.00 0.00 175.35 173.49 1s18 s SER 293 N -1.01 4.41 -0.01 2.83 1.04 -0.20 -0.73 113.70 120.03 1s18 s SER 293 Ca 0.11 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.75 1s18 s SER 293 Cb -0.10 -0.71 0.02 0.00 0.10 0.00 0.00 66.02 65.34 1s18 s SER 293 CO 0.01 -0.11 0.02 -0.70 0.98 0.00 0.00 173.24 173.43 1s18 s GLU 294 N -3.71 0.00 -0.37 4.02 2.12 0.10 -1.45 118.70 119.42 1s18 s GLU 294 Ca 0.33 0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.78 1s18 s GLU 294 Cb -0.04 -0.19 0.12 0.00 0.26 0.00 0.00 34.13 34.29 1s18 s GLU 294 CO 0.20 -0.11 0.18 -2.00 -0.54 0.00 0.00 175.26 172.99 1s18 s GLU 295 N 0.69 0.84 -0.20 4.30 2.12 -1.26 -1.46 118.70 123.73 1s18 s GLU 295 Ca -0.06 -1.43 0.01 0.00 0.36 0.00 0.00 54.97 53.86 1s18 s GLU 295 Cb -0.09 -1.88 0.03 0.00 0.26 0.00 0.00 34.13 32.46 1s18 s GLU 295 CO -0.02 -1.11 -0.17 0.34 -0.54 0.00 0.00 175.26 173.76 1s18 s ASP 296 N 1.06 3.44 -1.56 -1.70 2.15 0.42 -4.53 116.67 115.95 1s18 s ASP 296 Ca 0.15 -0.84 -0.03 0.00 0.43 0.00 0.00 52.55 52.26 1s18 s ASP 296 Cb -0.21 -1.46 0.03 0.00 -0.30 0.00 0.00 42.92 40.98 1s18 s ASP 296 CO -0.10 -0.06 0.18 -1.20 -0.17 0.00 0.00 175.17 173.82 1s18 n SER 297 N 4.59 0.23 0.00 -0.34 7.64 -1.26 0.04 113.62 124.52 1s18 n SER 297 Ca -0.19 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 58.49 1s18 n SER 297 Cb 0.48 -1.98 0.00 0.00 -1.01 0.00 0.00 64.21 61.70 1s18 n SER 297 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s18 n GLY 298 N -2.26 0.15 3.70 0.23 0.00 -1.26 -4.97 105.19 100.78 1s18 n GLY 298 Ca -0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 1s18 n GLY 298 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1s18 s ARG 299 N -0.87 4.51 -0.05 1.61 1.70 0.11 -5.05 118.95 120.90 1s18 s ARG 299 Ca 0.00 1.46 0.06 0.00 -0.47 0.00 0.00 55.73 56.78 1s18 s ARG 299 Cb 0.00 -3.47 -0.01 0.00 -0.57 0.00 0.00 34.95 30.90 1s18 s ARG 299 CO 0.00 -0.15 -0.24 0.08 -1.08 0.00 0.00 175.30 173.91 1s18 s VAL 300 N 1.29 1.96 0.13 4.99 1.01 -1.26 -0.44 120.40 128.08 1s18 s VAL 300 Ca 0.52 -1.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.27 1s18 s VAL 300 Cb -0.21 -1.65 0.06 0.00 0.00 0.00 0.00 36.38 34.57 1s18 s VAL 300 CO 0.26 0.55 0.53 0.00 0.00 0.00 0.00 175.10 176.43 1s18 s ALA 301 N -0.20 -1.37 0.10 5.51 0.00 -0.54 -4.25 121.76 121.01 1s18 s ALA 301 Ca -0.02 0.37 0.06 0.00 0.00 0.00 0.00 51.96 52.37 1s18 s ALA 301 Cb -0.13 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 1s18 s ALA 301 CO 0.03 -0.68 -0.17 -1.12 0.00 0.00 0.00 175.76 173.82 1s18 s SER 302 N -2.62 2.08 0.06 0.00 0.01 -0.73 0.01 113.70 112.52 1s18 s SER 302 Ca 0.00 -0.70 0.02 0.00 1.31 0.00 0.00 55.95 56.59 1s18 s SER 302 Cb -0.00 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.11 1s18 s SER 302 CO -0.11 -0.05 -0.07 -0.31 0.41 0.00 0.00 173.24 173.12 1s18 s TYR 303 N -1.47 0.70 0.19 2.43 2.02 0.09 -0.36 117.35 120.96 1s18 s TYR 303 Ca 0.04 -0.64 0.11 0.00 -0.37 0.00 0.00 57.07 56.21 1s18 s TYR 303 Cb -0.09 -0.42 -0.04 0.00 -0.40 0.00 0.00 41.96 41.01 1s18 s TYR 303 CO 0.03 -0.12 -0.21 -1.50 -1.57 0.00 0.00 175.55 172.18 1s18 s ILE 304 N -2.13 2.52 0.25 2.71 2.07 -0.02 -1.45 121.20 125.16 1s18 s ILE 304 Ca -0.03 -1.96 -0.22 0.00 -1.41 0.00 0.00 60.65 57.04 1s18 s ILE 304 Cb -0.05 -2.22 0.03 0.00 0.13 0.00 0.00 42.46 40.36 1s18 s ILE 304 CO -0.02 -0.11 0.71 0.00 -1.91 0.00 0.00 174.94 173.61 1s18 s MET 305 N -2.69 1.68 -0.07 3.50 0.23 -0.57 -0.92 119.30 120.45 1s18 s MET 305 Ca 0.21 -0.89 -0.06 0.00 -1.03 0.00 0.00 55.69 53.93 1s18 s MET 305 Cb -0.08 0.60 0.02 0.00 -1.53 0.00 0.00 34.83 33.84 1s18 s MET 305 CO 0.11 -0.77 0.18 0.00 -2.03 0.00 0.00 175.02 172.51 1s18 s ALA 306 N -3.87 -0.43 0.07 3.16 0.00 -0.50 -1.16 121.76 119.03 1s18 s ALA 306 Ca 0.09 0.53 -0.14 0.00 0.00 0.00 0.00 51.96 52.44 1s18 s ALA 306 Cb -0.05 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.78 1s18 s ALA 306 CO 0.03 -0.09 0.33 -0.59 0.00 0.00 0.00 175.76 175.44 1s18 s PHE 307 N 0.19 -0.12 0.79 0.00 -0.12 0.06 -0.45 117.98 118.32 1s18 s PHE 307 Ca -0.01 -0.08 -0.12 0.00 -0.05 0.00 0.00 56.93 56.68 1s18 s PHE 307 Cb -0.02 0.13 0.06 0.00 -0.63 0.00 0.00 43.02 42.56 1s18 s PHE 307 CO -0.00 -0.56 1.11 0.95 -0.05 0.00 0.00 175.22 176.66 1s18 s THR 308 N -2.97 2.96 0.56 -4.49 -4.23 -0.30 -0.47 115.64 106.70 1s18 s THR 308 Ca -0.02 0.31 0.25 0.00 -1.18 0.00 0.00 61.69 61.05 1s18 s THR 308 Cb 0.01 -3.16 0.32 0.00 1.34 0.00 0.00 72.50 71.01 1s18 s THR 308 CO -0.06 -0.41 2.21 -0.07 -0.54 0.00 0.00 174.62 175.76 1s18 h LEU 309 N -1.01 0.00 -0.02 4.79 3.38 -1.54 -0.77 115.31 120.14 1s18 h LEU 309 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1s18 h LEU 309 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1s18 h LEU 309 CO 0.62 0.01 -0.00 0.47 0.09 0.00 0.00 178.44 179.62 1s18 n ASP 310 N -4.10 0.04 0.00 -0.43 8.00 -1.26 -4.90 116.55 113.89 1s18 n ASP 310 Ca -0.03 -0.61 0.00 0.00 0.71 0.00 0.00 54.79 54.86 1s18 n ASP 310 Cb 0.09 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1s18 n ASP 310 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s18 n GLY 311 N 1.14 0.83 3.63 0.44 0.00 -0.29 -4.99 105.19 105.94 1s18 n GLY 311 Ca 0.19 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1s18 n GLY 311 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s18 s ARG 312 N -0.66 4.09 0.03 1.61 3.52 -1.26 -4.52 118.95 121.77 1s18 s ARG 312 Ca 0.00 0.81 -0.30 0.00 -0.13 0.00 0.00 55.73 56.11 1s18 s ARG 312 Cb 0.00 -3.69 -0.05 0.00 -1.56 0.00 0.00 34.95 29.66 1s18 s ARG 312 CO 0.00 -0.61 1.13 -0.06 -0.81 0.00 0.00 175.30 174.95 1s18 s PHE 313 N 2.96 3.48 -0.23 5.12 0.08 -1.26 -1.15 117.98 126.98 1s18 s PHE 313 Ca 0.35 1.41 0.16 0.00 0.12 0.00 0.00 56.93 58.97 1s18 s PHE 313 Cb -0.15 -3.33 -0.23 0.00 -0.57 0.00 0.00 43.02 38.74 1s18 s PHE 313 CO 0.10 -0.90 0.45 1.28 -0.10 0.00 0.00 175.22 176.05 1s18 n LEU 314 N 4.04 0.22 -3.61 -0.37 4.77 0.40 -4.84 117.00 117.61 1s18 n LEU 314 Ca 0.08 -0.14 -0.21 0.00 -0.03 0.00 0.00 56.01 55.71 1s18 n LEU 314 Cb 0.48 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.41 1s18 n LEU 314 CO 0.54 0.05 -0.28 -0.22 -1.33 0.00 0.00 177.39 176.16 1s18 s LEU 315 N -3.75 0.09 0.80 2.23 2.96 -0.97 -1.50 118.68 118.55 1s18 s LEU 315 Ca -0.03 -0.16 -0.11 0.00 -0.22 0.00 0.00 54.13 53.61 1s18 s LEU 315 Cb 0.11 0.06 0.07 0.00 0.50 0.00 0.00 46.19 46.93 1s18 s LEU 315 CO 0.68 -0.30 1.09 -2.16 -1.32 0.00 0.00 176.35 174.34 1s18 s PRO 316 N 2.23 2.04 -0.13 0.98 0.04 -1.26 -1.41 135.00 137.49 1s18 s PRO 316 Ca 0.04 1.05 -0.38 0.00 0.04 0.00 0.00 61.00 61.75 1s18 s PRO 316 Cb -0.14 -1.88 -0.15 0.00 0.04 0.00 0.00 34.50 32.37 1s18 s PRO 316 CO -0.08 -1.76 1.67 -1.91 0.04 0.00 0.00 177.00 174.96 1s18 n GLU 317 N -3.59 1.43 -3.98 4.56 2.13 -1.26 -4.56 120.64 115.38 1s18 n GLU 317 Ca 0.08 0.52 -0.22 0.00 0.66 0.00 0.00 57.16 58.21 1s18 n GLU 317 Cb 0.54 -2.23 -0.17 0.00 0.27 0.00 0.00 31.44 29.84 1s18 n GLU 317 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1s18 s THR 318 N 2.77 0.51 0.23 6.31 2.01 -0.10 -4.94 115.64 122.42 1s18 s THR 318 Ca 0.93 -0.04 -0.31 0.00 0.31 0.00 0.00 61.69 62.58 1s18 s THR 318 Cb -0.94 -0.59 -0.11 0.00 0.01 0.00 0.00 72.50 70.87 1s18 s THR 318 CO 0.57 0.25 1.63 -0.75 -0.69 0.00 0.00 174.62 175.62 1s18 s LYS 319 N 1.40 4.15 0.00 4.92 2.20 -1.26 -0.84 119.74 130.31 1s18 s LYS 319 Ca -0.03 2.53 0.01 0.00 -0.36 0.00 0.00 55.97 58.12 1s18 s LYS 319 Cb -0.13 -3.07 -0.00 0.00 -1.51 0.00 0.00 37.83 33.11 1s18 s LYS 319 CO -0.03 -0.66 0.28 0.44 -0.36 0.00 0.00 175.35 175.02 1s18 n ILE 320 N 3.21 0.00 0.00 5.43 -5.35 0.52 -4.88 119.36 118.28 1s18 n ILE 320 Ca 0.12 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 1s18 n ILE 320 Cb 0.37 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 1s18 n ILE 320 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s18 n GLY 321 N 0.61 0.23 1.62 3.28 0.00 -1.20 -4.99 105.19 104.74 1s18 n GLY 321 Ca 0.01 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 1s18 n GLY 321 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1s18 n SER 322 N 0.00 3.55 -4.25 1.61 7.64 -1.26 -1.78 113.62 119.13 1s18 n SER 322 Ca 0.00 -3.75 -0.14 0.00 1.01 0.00 0.00 58.87 55.99 1s18 n SER 322 Cb 0.00 -0.69 -0.10 0.00 -1.01 0.00 0.00 64.21 62.41 1s18 n SER 322 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1s18 s VAL 323 N -3.57 0.32 -0.27 0.44 -7.23 -1.26 -4.61 120.40 104.22 1s18 s VAL 323 Ca 0.50 -1.99 -0.26 0.00 -1.81 0.00 0.00 61.98 58.42 1s18 s VAL 323 Cb 0.44 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.90 1s18 s VAL 323 CO 0.02 -0.09 0.91 -0.54 -0.31 0.00 0.00 175.10 175.10 1s18 s LYS 324 N -4.07 4.13 -0.24 4.82 1.02 -1.26 -3.32 119.74 120.82 1s18 s LYS 324 Ca 0.36 0.98 -0.10 0.00 0.02 0.00 0.00 55.97 57.22 1s18 s LYS 324 Cb 0.07 -3.68 -0.05 0.00 -0.52 0.00 0.00 37.83 33.65 1s18 s LYS 324 CO 0.11 -0.66 0.15 0.71 -0.92 0.00 0.00 175.35 174.74 1s18 s TYR 325 N 3.11 3.29 -0.26 3.18 2.02 -1.26 -1.15 117.35 126.27 1s18 s TYR 325 Ca 0.38 0.17 0.02 0.00 -0.37 0.00 0.00 57.07 57.28 1s18 s TYR 325 Cb -0.14 -2.25 0.03 0.00 -0.40 0.00 0.00 41.96 39.19 1s18 s TYR 325 CO 0.10 0.05 0.67 0.39 -1.57 0.00 0.00 175.55 175.19 1s18 n GLU 326 N 4.26 0.09 -3.76 -0.62 1.02 -0.75 -4.77 120.64 116.12 1s18 n GLU 326 Ca -0.15 -0.84 -0.13 0.00 -0.02 0.00 0.00 57.16 56.02 1s18 n GLU 326 Cb 0.52 -1.05 -0.11 0.00 -0.02 0.00 0.00 31.44 30.79 1s18 n GLU 326 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1s18 s GLY 327 N -0.36 -0.25 -0.01 0.62 0.00 -1.24 -3.87 107.32 102.21 1s18 s GLY 327 Ca 0.03 0.94 0.04 0.00 0.00 0.00 0.00 44.72 45.73 1s18 s GLY 327 CO 0.03 0.82 -0.13 -1.50 0.00 0.00 0.00 173.10 172.32 1s18 s ILE 328 N 0.20 0.99 0.09 0.90 2.07 -1.26 -1.44 121.20 122.75 1s18 s ILE 328 Ca -0.00 -0.57 -0.16 0.00 -1.41 0.00 0.00 60.65 58.51 1s18 s ILE 328 Cb -0.02 -0.84 0.03 0.00 0.13 0.00 0.00 42.46 41.76 1s18 s ILE 328 CO 0.00 0.25 0.37 -0.70 -1.91 0.00 0.00 174.94 172.96 1s18 s GLU 329 N -0.37 0.98 -0.43 3.50 2.56 -0.49 -4.73 118.70 119.73 1s18 s GLU 329 Ca 0.04 -0.62 -0.23 0.00 0.00 0.00 0.00 54.97 54.17 1s18 s GLU 329 Cb -0.05 0.43 0.02 0.00 2.00 0.00 0.00 34.13 36.53 1s18 s GLU 329 CO -0.00 -0.36 0.75 -0.06 -0.56 0.00 0.00 175.26 175.03 1s18 s PHE 330 N -3.33 3.03 -1.82 5.30 0.08 -1.26 -1.38 117.98 118.60 1s18 s PHE 330 Ca 0.00 0.20 0.15 0.00 0.12 0.00 0.00 56.93 57.39 1s18 s PHE 330 Cb 0.01 -3.55 0.12 0.00 -0.57 0.00 0.00 43.02 39.03 1s18 s PHE 330 CO -0.08 -0.91 0.96 0.44 -0.10 0.00 0.00 175.22 175.52