#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s18 s ASN 18 N 0.00 6.19 -0.03 2.98 3.84 -1.26 -4.94 114.94 121.72 1s18 s ASN 18 Ca 0.00 -1.03 0.10 0.00 0.21 0.00 0.00 52.86 52.14 1s18 s ASN 18 Cb 0.00 -2.24 0.34 0.00 -0.55 0.00 0.00 41.25 38.80 1s18 s ASN 18 CO 0.00 -0.77 1.22 -0.90 -2.79 0.00 0.00 177.10 173.86 1s18 n ASP 19 N 5.76 2.31 -4.68 -4.21 5.75 -1.26 -2.62 116.55 117.60 1s18 n ASP 19 Ca -0.09 -2.13 -0.48 0.00 -0.01 0.00 0.00 54.79 52.08 1s18 n ASP 19 Cb 0.45 -0.34 -0.05 0.00 -1.03 0.00 0.00 41.12 40.15 1s18 n ASP 19 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1s18 n THR 20 N 0.48 0.36 -3.64 2.12 -1.04 -1.26 -4.95 114.28 106.35 1s18 n THR 20 Ca 0.12 -0.06 -0.08 0.00 -2.04 0.00 0.00 64.05 61.99 1s18 n THR 20 Cb 0.42 -1.71 -0.07 0.00 -1.82 0.00 0.00 70.33 67.15 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 2.86 -0.83 1.33 -1.42 5.04 -1.26 -4.35 117.35 118.72 1s18 s TYR 21 Ca 0.88 1.78 -0.21 0.00 -2.44 0.00 0.00 57.07 57.08 1s18 s TYR 21 Cb -0.71 0.45 0.33 0.00 0.35 0.00 0.00 41.96 42.39 1s18 s TYR 21 CO 0.47 -0.41 1.01 -2.14 -1.34 0.00 0.00 175.55 173.15 1s18 s PRO 22 N 1.06 -2.23 0.20 4.97 0.02 -1.26 -5.05 135.00 132.71 1s18 s PRO 22 Ca -0.05 0.03 -0.08 0.00 0.02 0.00 0.00 61.00 60.92 1s18 s PRO 22 Cb -0.05 -1.47 0.12 0.00 0.02 0.00 0.00 34.50 33.12 1s18 s PRO 22 CO -0.12 -4.39 1.68 -0.07 -0.33 0.00 0.00 177.00 173.77 1s18 h LEU 23 N -3.07 1.03 -9.41 -5.54 3.38 -1.62 -3.42 115.31 96.66 1s18 h LEU 23 Ca -0.44 -0.27 -0.64 0.00 0.09 0.00 0.00 57.88 56.62 1s18 h LEU 23 Cb 1.32 -0.28 -0.11 0.00 0.09 0.00 0.00 40.66 41.68 1s18 h LEU 23 CO 0.30 1.05 -0.51 -0.44 0.09 0.00 0.00 178.44 178.93 1s18 s SER 24 N -6.55 6.08 0.26 -0.43 0.01 -0.18 -5.06 113.70 107.83 1s18 s SER 24 Ca -0.12 0.31 -0.31 0.00 1.31 0.00 0.00 55.95 57.14 1s18 s SER 24 Cb 0.14 -1.99 -0.13 0.00 0.21 0.00 0.00 66.02 64.26 1s18 s SER 24 CO 0.85 0.31 1.48 -2.65 0.41 0.00 0.00 173.24 173.63 1s18 n PRO 25 N 2.66 2.27 -1.25 12.44 -0.02 -1.26 -4.88 135.00 144.95 1s18 n PRO 25 Ca -0.18 0.81 -0.33 0.00 -2.02 0.00 0.00 63.50 61.78 1s18 n PRO 25 Cb 0.54 -2.51 0.11 0.00 -0.02 0.00 0.00 33.50 31.61 1s18 n PRO 25 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1s18 s PRO 26 N -0.42 1.91 -0.20 0.52 0.02 -1.26 -4.88 135.00 130.70 1s18 s PRO 26 Ca 0.67 1.64 -0.01 0.00 0.02 0.00 0.00 61.00 63.32 1s18 s PRO 26 Cb -0.59 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.12 1s18 s PRO 26 CO 0.49 -1.98 -0.14 -0.65 -0.33 0.00 0.00 177.00 174.39 1s18 s GLN 27 N -4.19 3.13 0.03 5.54 -1.52 -0.45 -4.97 119.66 117.23 1s18 s GLN 27 Ca 0.71 -0.75 -0.30 0.00 -1.95 0.00 0.00 55.36 53.06 1s18 s GLN 27 Cb -0.26 -2.74 -0.04 0.00 -0.22 0.00 0.00 33.01 29.74 1s18 s GLN 27 CO 0.49 -0.21 1.11 0.50 -0.25 0.00 0.00 175.29 176.93 1s18 s ARG 28 N 1.36 4.48 0.39 2.91 6.06 -1.26 -0.80 118.95 132.10 1s18 s ARG 28 Ca 0.05 1.62 0.08 0.00 -2.50 0.00 0.00 55.73 54.98 1s18 s ARG 28 Cb -0.14 -3.40 -0.06 0.00 0.06 0.00 0.00 34.95 31.41 1s18 s ARG 28 CO -0.09 -0.18 0.09 0.95 -2.50 0.00 0.00 175.30 173.56 1s18 s THR 29 N 1.10 2.31 0.57 4.11 -4.23 -0.63 -4.96 115.64 113.90 1s18 s THR 29 Ca 0.56 -1.86 0.25 0.00 -1.18 0.00 0.00 61.69 59.46 1s18 s THR 29 Cb -0.26 -2.94 0.33 0.00 1.34 0.00 0.00 72.50 70.97 1s18 s THR 29 CO 0.28 -0.06 2.18 -0.65 -0.54 0.00 0.00 174.62 175.84 1s18 h PRO 30 N 1.63 0.00 0.00 3.99 0.11 -2.03 -3.04 132.00 132.65 1s18 h PRO 30 Ca -0.43 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.62 1s18 h PRO 30 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1s18 h PRO 30 CO 0.72 0.00 -0.79 0.00 -0.21 0.00 0.00 178.00 177.73 1s18 h ALA 31 N 1.94 0.68 0.00 -0.75 0.00 -1.96 -3.48 119.26 115.69 1s18 h ALA 31 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1s18 h ALA 31 Cb 0.15 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1s18 h ALA 31 CO -0.00 0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.99 1s18 n GLY 32 N 1.22 -0.59 3.30 0.00 0.00 -1.15 -1.12 105.19 106.85 1s18 n GLY 32 Ca -0.01 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 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 2.02 -0.03 -0.61 1.01 -0.71 -1.61 121.20 117.27 1s18 s ILE 33 Ca 0.00 -1.09 0.07 0.00 0.00 0.00 0.00 60.65 59.63 1s18 s ILE 33 Cb 0.00 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 1s18 s ILE 33 CO 0.00 0.57 -0.24 -0.60 0.00 0.00 0.00 174.94 174.67 1s18 s ARG 34 N -0.59 2.13 -0.03 2.79 3.52 0.02 -1.16 118.95 125.63 1s18 s ARG 34 Ca 0.09 -0.87 0.05 0.00 -0.13 0.00 0.00 55.73 54.88 1s18 s ARG 34 Cb -0.10 -1.97 -0.01 0.00 -1.56 0.00 0.00 34.95 31.32 1s18 s ARG 34 CO -0.01 0.47 -0.19 0.71 -0.81 0.00 0.00 175.30 175.47 1s18 s TYR 35 N -0.43 1.85 0.24 5.12 2.02 0.63 -1.35 117.35 125.44 1s18 s TYR 35 Ca 0.05 -0.47 -0.30 0.00 -0.37 0.00 0.00 57.07 55.99 1s18 s TYR 35 Cb -0.11 -1.22 -0.10 0.00 -0.40 0.00 0.00 41.96 40.14 1s18 s TYR 35 CO 0.00 -0.12 1.36 0.50 -1.57 0.00 0.00 175.55 175.72 1s18 s ARG 36 N -0.19 4.34 0.20 -0.62 6.06 -1.26 -0.46 118.95 127.02 1s18 s ARG 36 Ca 0.01 2.17 0.06 0.00 -2.50 0.00 0.00 55.73 55.47 1s18 s ARG 36 Cb -0.10 -3.14 -0.05 0.00 0.06 0.00 0.00 34.95 31.72 1s18 s ARG 36 CO 0.01 -0.30 -0.09 0.96 -2.50 0.00 0.00 175.30 173.37 1s18 s ILE 37 N -0.13 1.43 0.00 4.11 -4.36 -0.01 -2.23 121.20 120.02 1s18 s ILE 37 Ca 0.56 -2.12 -0.11 0.00 -0.26 0.00 0.00 60.65 58.72 1s18 s ILE 37 Cb -0.39 -2.11 0.01 0.00 1.25 0.00 0.00 42.46 41.22 1s18 s ILE 37 CO 0.42 -0.54 0.22 0.00 0.24 0.00 0.00 174.94 175.28 1s18 s ALA 38 N -3.16 -0.52 0.10 2.27 0.00 -0.67 -0.97 121.76 118.82 1s18 s ALA 38 Ca 0.23 0.01 0.08 0.00 0.00 0.00 0.00 51.96 52.29 1s18 s ALA 38 Cb 0.02 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1s18 s ALA 38 CO 0.06 -0.26 -0.21 0.14 0.00 0.00 0.00 175.76 175.49 1s18 s VAL 39 N -1.61 1.71 -0.02 0.00 -7.23 0.19 -1.76 120.40 111.68 1s18 s VAL 39 Ca -0.12 -1.56 0.08 0.00 -1.81 0.00 0.00 61.98 58.57 1s18 s VAL 39 Cb -0.05 -1.56 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 1s18 s VAL 39 CO 0.01 -0.07 -0.25 -0.51 -0.31 0.00 0.00 175.10 173.98 1s18 s ILE 40 N -1.20 1.94 0.12 -0.62 1.10 -0.56 -0.87 121.20 121.10 1s18 s ILE 40 Ca 0.07 -1.05 -0.12 0.00 -0.51 0.00 0.00 60.65 59.04 1s18 s ILE 40 Cb -0.10 -1.61 -0.06 0.00 0.15 0.00 0.00 42.46 40.84 1s18 s ILE 40 CO 0.04 0.55 0.49 0.00 -2.11 0.00 0.00 174.94 173.91 1s18 s ALA 41 N -0.58 3.64 -0.35 1.50 0.00 -0.73 -1.42 121.76 123.83 1s18 s ALA 41 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1s18 s ALA 41 Cb -0.09 -2.41 0.09 0.00 0.00 0.00 0.00 23.12 20.70 1s18 s ALA 41 CO -0.01 0.50 0.08 0.34 0.00 0.00 0.00 175.76 176.67 1s18 s ASP 42 N -1.75 4.94 0.00 0.00 2.15 0.10 -3.82 116.67 118.29 1s18 s ASP 42 Ca 0.36 -1.86 0.29 0.00 0.43 0.00 0.00 52.55 51.77 1s18 s ASP 42 Cb -0.14 -1.71 1.56 0.00 -0.30 0.00 0.00 42.92 42.32 1s18 s ASP 42 CO 0.19 -0.40 2.02 0.18 -0.17 0.00 0.00 175.17 176.99 1s18 n LEU 43 N 4.47 0.40 0.00 -1.34 4.77 -1.26 -4.18 117.00 119.85 1s18 n LEU 43 Ca -0.04 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1s18 n LEU 43 Cb 0.42 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1s18 n LEU 43 CO 0.27 0.07 0.00 -0.67 -1.33 0.00 0.00 177.39 175.73 1s18 n ASP 44 N -0.66 0.00 0.29 -1.43 2.03 -1.26 -1.84 116.55 113.68 1s18 n ASP 44 Ca 0.21 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.71 1s18 n ASP 44 Cb 0.17 0.00 0.80 0.00 -0.72 0.00 0.00 41.12 41.37 1s18 n ASP 44 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1s18 h THR 45 N 0.00 0.00 0.00 5.18 1.35 -1.95 -0.81 112.91 116.68 1s18 h THR 45 Ca 0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1s18 h THR 45 Cb 0.00 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1s18 h THR 45 CO 0.00 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.65 1s18 n GLU 46 N -3.06 0.68 0.05 4.72 -0.58 -0.77 -2.68 120.64 119.01 1s18 n GLU 46 Ca -0.00 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.86 1s18 n GLU 46 Cb 0.25 -1.38 0.47 0.00 -0.57 0.00 0.00 31.44 30.21 1s18 n GLU 46 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1s18 n SER 47 N -0.88 0.34 -4.69 1.62 3.41 -0.31 -4.77 113.62 108.33 1s18 n SER 47 Ca 0.13 0.55 -0.41 0.00 -0.26 0.00 0.00 58.87 58.87 1s18 n SER 47 Cb 0.06 -0.64 -0.04 0.00 -0.26 0.00 0.00 64.21 63.34 1s18 n SER 47 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1s18 s ARG 48 N -3.09 4.41 0.65 4.33 3.52 -1.09 -0.54 118.95 127.14 1s18 s ARG 48 Ca 0.10 1.16 -0.15 0.00 -0.13 0.00 0.00 55.73 56.71 1s18 s ARG 48 Cb 0.13 -3.52 -0.01 0.00 -1.56 0.00 0.00 34.95 30.00 1s18 s ARG 48 CO 0.46 -0.18 1.10 0.00 -0.81 0.00 0.00 175.30 175.87 1s18 s ALA 49 N 1.59 2.53 -0.13 6.12 0.00 0.11 -4.92 121.76 127.06 1s18 s ALA 49 Ca 0.43 0.49 0.27 0.00 0.00 0.00 0.00 51.96 53.15 1s18 s ALA 49 Cb -0.18 -3.29 0.83 0.00 0.00 0.00 0.00 23.12 20.47 1s18 s ALA 49 CO 0.18 -1.18 1.78 1.96 0.00 0.00 0.00 175.76 178.50 1s18 h GLN 50 N 0.07 0.00 -6.64 0.00 4.20 -1.96 -3.44 115.11 107.34 1s18 h GLN 50 Ca -0.47 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 57.86 1s18 h GLN 50 Cb 1.24 0.00 0.20 0.00 0.30 0.00 0.00 27.48 29.22 1s18 h GLN 50 CO 0.55 0.06 -0.58 -1.91 -0.67 0.00 0.00 178.83 176.27 1s18 n GLU 51 N -3.14 -2.48 -2.99 1.46 2.13 -1.26 -4.93 120.64 109.42 1s18 n GLU 51 Ca 0.02 -0.72 -0.40 0.00 0.66 0.00 0.00 57.16 56.72 1s18 n GLU 51 Cb 0.44 -1.75 -0.04 0.00 0.27 0.00 0.00 31.44 30.35 1s18 n GLU 51 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1s18 s GLU 52 N -3.86 4.41 -0.86 5.31 2.12 -1.26 -4.34 118.70 120.22 1s18 s GLU 52 Ca 0.55 0.94 -0.21 0.00 0.36 0.00 0.00 54.97 56.61 1s18 s GLU 52 Cb -0.13 -3.48 0.03 0.00 0.26 0.00 0.00 34.13 30.81 1s18 s GLU 52 CO 0.57 -0.04 0.51 0.09 -0.54 0.00 0.00 175.26 175.84 1s18 n ASN 53 N 4.15 -3.27 -3.79 -1.70 5.03 -1.26 -4.96 115.26 109.46 1s18 n ASN 53 Ca 0.01 -0.95 -0.14 0.00 0.87 0.00 0.00 54.58 54.37 1s18 n ASN 53 Cb 0.51 -1.21 -0.15 0.00 -1.02 0.00 0.00 39.78 37.90 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 -3.59 -0.04 0.05 3.41 2.01 -1.26 -4.38 115.64 111.83 1s18 s THR 54 Ca 0.29 0.16 0.07 0.00 0.31 0.00 0.00 61.69 62.51 1s18 s THR 54 Cb -0.16 -0.08 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 1s18 s THR 54 CO 0.74 0.06 -0.20 0.26 -0.69 0.00 0.00 174.62 174.79 1s18 s TRP 55 N 0.79 1.70 0.07 4.92 0.51 -0.28 -0.71 118.94 125.94 1s18 s TRP 55 Ca -0.07 -0.38 0.02 0.00 -2.12 0.00 0.00 56.10 53.55 1s18 s TRP 55 Cb -0.09 -1.00 -0.03 0.00 -0.81 0.00 0.00 33.47 31.53 1s18 s TRP 55 CO -0.02 0.10 -0.07 -0.59 -0.51 0.00 0.00 176.95 175.86 1s18 s PHE 56 N -0.88 0.76 0.32 -1.98 -0.12 0.30 -1.05 117.98 115.34 1s18 s PHE 56 Ca 0.06 -0.72 0.04 0.00 -0.05 0.00 0.00 56.93 56.25 1s18 s PHE 56 Cb -0.09 -0.45 -0.03 0.00 -0.63 0.00 0.00 43.02 41.82 1s18 s PHE 56 CO 0.02 -0.13 0.17 0.45 -0.05 0.00 0.00 175.22 175.68 1s18 s SER 57 N -2.34 1.77 -0.05 1.98 0.15 -0.29 -4.64 113.70 110.29 1s18 s SER 57 Ca 0.01 -1.60 0.05 0.00 0.70 0.00 0.00 55.95 55.12 1s18 s SER 57 Cb -0.02 0.42 -0.01 0.00 -1.71 0.00 0.00 66.02 64.70 1s18 s SER 57 CO -0.03 -0.91 -0.22 -0.31 1.20 0.00 0.00 173.24 172.98 1s18 s TYR 58 N -3.52 2.12 -0.25 3.44 2.02 -1.26 -0.67 117.35 119.23 1s18 s TYR 58 Ca 0.34 -0.63 -0.07 0.00 -0.37 0.00 0.00 57.07 56.34 1s18 s TYR 58 Cb 0.04 -1.41 -0.03 0.00 -0.40 0.00 0.00 41.96 40.17 1s18 s TYR 58 CO 0.18 -0.20 0.06 -1.17 -1.57 0.00 0.00 175.55 172.85 1s18 s LEU 59 N -0.06 3.40 -0.20 -1.29 2.96 0.02 -1.77 118.68 121.74 1s18 s LEU 59 Ca -0.04 -0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 53.61 1s18 s LEU 59 Cb -0.13 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 1s18 s LEU 59 CO 0.03 -0.03 -0.04 -0.75 -1.32 0.00 0.00 176.35 174.24 1s18 s LYS 60 N 1.61 3.48 0.18 1.98 2.20 -0.05 -0.78 119.74 128.35 1s18 s LYS 60 Ca 0.06 -0.59 0.07 0.00 -0.36 0.00 0.00 55.97 55.15 1s18 s LYS 60 Cb -0.15 -2.98 -0.04 0.00 -1.51 0.00 0.00 37.83 33.15 1s18 s LYS 60 CO 0.03 -0.05 0.03 0.15 -0.36 0.00 0.00 175.35 175.15 1s18 s LYS 61 N 1.11 2.51 0.00 4.03 1.02 -1.26 -0.63 119.74 126.52 1s18 s LYS 61 Ca 0.02 -1.06 0.00 0.00 0.02 0.00 0.00 55.97 54.94 1s18 s LYS 61 Cb -0.15 -2.42 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 1s18 s LYS 61 CO 0.00 0.46 0.00 0.41 -0.92 0.00 0.00 175.35 175.30 1s18 n GLY 62 N -0.20 2.54 2.97 -3.33 0.00 -0.14 -0.61 105.19 106.42 1s18 n GLY 62 Ca -0.09 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.74 0.50 -0.13 1.61 2.02 0.26 -0.83 117.35 119.05 1s18 s TYR 63 Ca 0.00 -0.13 0.02 0.00 -0.37 0.00 0.00 57.07 56.59 1s18 s TYR 63 Cb 0.00 -0.32 -0.00 0.00 -0.40 0.00 0.00 41.96 41.24 1s18 s TYR 63 CO 0.00 -0.02 -0.18 -1.17 -1.57 0.00 0.00 175.55 172.61 1s18 s LEU 64 N -0.26 2.38 -0.13 -1.29 0.20 0.39 -1.13 118.68 118.84 1s18 s LEU 64 Ca 0.01 -0.47 -0.01 0.00 0.69 0.00 0.00 54.13 54.35 1s18 s LEU 64 Cb -0.03 -1.51 -0.02 0.00 -0.43 0.00 0.00 46.19 44.20 1s18 s LEU 64 CO -0.00 0.13 -0.09 -0.89 -0.29 0.00 0.00 176.35 175.21 1s18 s THR 65 N 0.52 3.43 -0.20 3.68 2.01 0.22 -0.27 115.64 125.04 1s18 s THR 65 Ca -0.12 -0.54 -0.07 0.00 0.31 0.00 0.00 61.69 61.28 1s18 s THR 65 Cb -0.16 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 1s18 s THR 65 CO 0.04 0.53 0.05 -0.22 -0.69 0.00 0.00 174.62 174.33 1s18 s LEU 66 N 0.14 3.59 0.53 4.42 2.96 -0.31 -1.04 118.68 128.97 1s18 s LEU 66 Ca -0.04 -0.05 -0.19 0.00 -0.22 0.00 0.00 54.13 53.62 1s18 s LEU 66 Cb -0.14 -1.92 -0.06 0.00 0.50 0.00 0.00 46.19 44.56 1s18 s LEU 66 CO 0.04 0.10 1.09 -0.94 -1.32 0.00 0.00 176.35 175.32 1s18 s SER 67 N 0.81 5.91 0.54 3.68 1.04 -0.60 -1.74 113.70 123.34 1s18 s SER 67 Ca 0.03 2.07 0.20 0.00 0.48 0.00 0.00 55.95 58.73 1s18 s SER 67 Cb -0.14 -2.57 1.42 0.00 0.10 0.00 0.00 66.02 64.83 1s18 s SER 67 CO 0.02 -1.08 2.17 0.44 0.98 0.00 0.00 173.24 175.77 1s18 h ASP 68 N 1.24 0.00 0.44 7.02 3.32 -1.47 0.51 116.42 127.48 1s18 h ASP 68 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1s18 h ASP 68 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1s18 h ASP 68 CO 0.58 0.02 0.00 0.77 -1.72 0.00 0.00 179.24 178.88 1s18 h SER 69 N 0.00 0.00 0.00 6.45 4.64 -1.91 -3.46 113.55 119.27 1s18 h SER 69 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s18 h SER 69 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1s18 h SER 69 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1s18 n GLY 70 N -0.57 0.47 0.13 -0.77 0.00 0.18 -4.90 105.19 99.74 1s18 n GLY 70 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.12 1.31 -3.97 1.61 5.68 -1.26 -4.93 116.55 114.87 1s18 n ASP 71 Ca 0.00 -2.17 -0.14 0.00 -0.50 0.00 0.00 54.79 51.98 1s18 n ASP 71 Cb 0.06 -0.18 -0.13 0.00 -1.14 0.00 0.00 41.12 39.72 1s18 n ASP 71 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1s18 s LYS 72 N -1.20 0.36 -0.05 0.11 2.20 -1.26 -4.73 119.74 115.16 1s18 s LYS 72 Ca 0.10 -0.30 0.05 0.00 -0.36 0.00 0.00 55.97 55.46 1s18 s LYS 72 Cb 0.09 -0.27 -0.01 0.00 -1.51 0.00 0.00 37.83 36.13 1s18 s LYS 72 CO 0.01 0.07 -0.20 0.08 -0.36 0.00 0.00 175.35 174.95 1s18 s VAL 73 N -0.46 1.64 0.12 4.02 1.01 -0.72 -1.55 120.40 124.46 1s18 s VAL 73 Ca -0.02 -0.84 0.09 0.00 0.00 0.00 0.00 61.98 61.21 1s18 s VAL 73 Cb -0.04 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1s18 s VAL 73 CO -0.00 0.47 -0.21 0.00 0.00 0.00 0.00 175.10 175.36 1s18 s ALA 74 N -0.03 1.91 -0.01 5.51 0.00 -0.21 -4.49 121.76 124.44 1s18 s ALA 74 Ca -0.04 -1.32 0.04 0.00 0.00 0.00 0.00 51.96 50.64 1s18 s ALA 74 Cb -0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 1s18 s ALA 74 CO 0.03 0.36 -0.12 0.08 0.00 0.00 0.00 175.76 176.10 1s18 s VAL 75 N -1.33 0.96 0.10 0.00 1.01 -1.26 -0.61 120.40 119.28 1s18 s VAL 75 Ca 0.09 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1s18 s VAL 75 Cb -0.09 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1s18 s VAL 75 CO 0.05 0.27 -0.11 -1.83 0.00 0.00 0.00 175.10 173.48 1s18 s GLU 76 N -0.24 0.90 0.13 2.72 -1.05 -0.28 -4.99 118.70 115.90 1s18 s GLU 76 Ca 0.04 -1.18 0.10 0.00 -0.15 0.00 0.00 54.97 53.78 1s18 s GLU 76 Cb -0.05 -0.63 -0.04 0.00 -0.44 0.00 0.00 34.13 32.97 1s18 s GLU 76 CO -0.00 0.10 -0.23 -1.58 0.95 0.00 0.00 175.26 174.51 1s18 s TRP 77 N -2.38 2.41 0.91 4.83 0.52 -1.26 -0.57 118.94 123.40 1s18 s TRP 77 Ca 0.06 -0.33 -0.10 0.00 0.02 0.00 0.00 56.10 55.75 1s18 s TRP 77 Cb -0.03 -1.28 0.14 0.00 -1.15 0.00 0.00 33.47 31.15 1s18 s TRP 77 CO 0.01 0.38 1.09 -0.25 0.02 0.00 0.00 176.95 178.20 1s18 n ASP 78 N 0.76 0.18 -0.11 2.95 9.92 0.22 -4.94 116.55 125.52 1s18 n ASP 78 Ca -0.16 0.42 -0.05 0.00 -0.53 0.00 0.00 54.79 54.47 1s18 n ASP 78 Cb 0.53 -1.46 0.02 0.00 -0.64 0.00 0.00 41.12 39.58 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 -1.81 0.21 -4.78 -1.24 1.57 -2.00 -3.46 116.57 105.06 1s18 h LYS 79 Ca -0.43 -0.01 -0.31 0.00 -1.87 0.00 0.00 60.65 58.03 1s18 h LYS 79 Cb 1.27 -0.05 -0.15 0.00 0.08 0.00 0.00 32.23 33.39 1s18 h LYS 79 CO 0.41 0.14 -0.63 0.34 -0.57 0.00 0.00 179.45 179.14 1s18 s ASP 80 N -5.32 0.94 0.44 0.86 2.15 -1.26 -5.17 116.67 109.31 1s18 s ASP 80 Ca -0.13 -1.33 0.03 0.00 0.43 0.00 0.00 52.55 51.54 1s18 s ASP 80 Cb 0.13 0.20 0.00 0.00 -0.30 0.00 0.00 42.92 42.96 1s18 s ASP 80 CO 0.71 -0.72 0.63 -1.38 -0.17 0.00 0.00 175.17 174.24 1s18 s HIS 81 N -3.83 3.07 0.04 -5.34 -3.43 -1.26 -4.72 115.29 99.81 1s18 s HIS 81 Ca 0.34 0.00 -0.16 0.00 -0.80 0.00 0.00 55.06 54.45 1s18 s HIS 81 Cb 0.07 -2.34 -0.06 0.00 -1.43 0.00 0.00 32.58 28.82 1s18 s HIS 81 CO 0.11 -0.39 0.47 0.20 -2.00 0.00 0.00 174.74 173.12 1s18 s GLY 82 N -4.27 2.53 -0.12 -1.38 0.00 0.04 -4.95 107.32 99.18 1s18 s GLY 82 Ca 0.50 -0.14 -0.13 0.00 0.00 0.00 0.00 44.72 44.95 1s18 s GLY 82 CO 0.36 0.23 0.30 0.14 0.00 0.00 0.00 173.10 174.13 1s18 s VAL 83 N -1.13 5.27 -0.04 1.40 1.01 -1.26 -0.80 120.40 124.85 1s18 s VAL 83 Ca 0.27 0.57 0.03 0.00 0.00 0.00 0.00 61.98 62.84 1s18 s VAL 83 Cb -0.17 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1s18 s VAL 83 CO 0.16 0.46 -0.10 -0.76 0.00 0.00 0.00 175.10 174.86 1s18 s LEU 84 N -0.10 3.00 0.05 3.92 1.43 0.15 -4.89 118.68 122.24 1s18 s LEU 84 Ca 0.18 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 1s18 s LEU 84 Cb -0.14 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 1s18 s LEU 84 CO 0.06 0.33 -0.08 -1.61 0.23 0.00 0.00 176.35 175.28 1s18 s GLU 85 N -0.96 0.60 0.05 1.70 2.02 -1.26 -1.13 118.70 119.71 1s18 s GLU 85 Ca 0.13 -0.86 -0.07 0.00 0.02 0.00 0.00 54.97 54.19 1s18 s GLU 85 Cb -0.11 -0.32 -0.01 0.00 0.10 0.00 0.00 34.13 33.79 1s18 s GLU 85 CO 0.03 0.05 0.14 0.45 0.02 0.00 0.00 175.26 175.95 1s18 s SER 86 N -1.82 0.14 -0.05 -0.19 0.15 -0.21 -4.57 113.70 107.15 1s18 s SER 86 Ca -0.06 -0.54 0.15 0.00 0.70 0.00 0.00 55.95 56.20 1s18 s SER 86 Cb -0.08 0.27 0.49 0.00 -1.71 0.00 0.00 66.02 64.99 1s18 s SER 86 CO -0.00 -0.59 1.41 1.41 1.20 0.00 0.00 173.24 176.67 1s18 n HIS 87 N 0.48 0.83 -3.52 3.44 -0.00 -1.26 -1.13 115.22 114.07 1s18 n HIS 87 Ca -0.18 -0.58 -0.37 0.00 -0.00 0.00 0.00 57.72 56.60 1s18 n HIS 87 Cb 0.60 -0.11 -0.08 0.00 -0.00 0.00 0.00 29.99 30.40 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 -1.43 4.18 0.10 2.41 2.96 -1.26 -4.85 118.68 120.78 1s18 s LEU 88 Ca 0.36 0.40 -0.11 0.00 -0.22 0.00 0.00 54.13 54.56 1s18 s LEU 88 Cb 0.22 -2.34 0.01 0.00 0.50 0.00 0.00 46.19 44.58 1s18 s LEU 88 CO 0.20 0.03 0.27 0.00 -1.32 0.00 0.00 176.35 175.53 1s18 s ALA 89 N 0.92 -0.49 -0.10 5.97 0.00 -1.26 -4.53 121.76 122.27 1s18 s ALA 89 Ca 0.15 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.73 1s18 s ALA 89 Cb -0.14 0.54 0.02 0.00 0.00 0.00 0.00 23.12 23.54 1s18 s ALA 89 CO 0.05 -0.54 -0.10 -2.00 0.00 0.00 0.00 175.76 173.16 1s18 s GLU 90 N -3.73 1.70 -1.47 0.00 2.12 0.39 -4.65 118.70 113.06 1s18 s GLU 90 Ca 0.03 -0.36 -0.06 0.00 0.36 0.00 0.00 54.97 54.94 1s18 s GLU 90 Cb 0.03 -1.57 0.03 0.00 0.26 0.00 0.00 34.13 32.88 1s18 s GLU 90 CO -0.11 -0.13 0.59 1.63 -0.54 0.00 0.00 175.26 176.70 1s18 n LYS 91 N 4.42 -4.51 -1.07 4.30 5.02 -1.26 -1.89 118.16 123.17 1s18 n LYS 91 Ca -0.18 0.77 -0.02 0.00 -2.02 0.00 0.00 58.31 56.86 1s18 n LYS 91 Cb 0.51 -5.59 -0.01 0.00 -0.02 0.00 0.00 35.03 29.92 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 -1.43 0.50 3.23 0.72 0.00 -1.26 -5.02 105.19 101.93 1s18 n GLY 92 Ca -0.08 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.34 1.66 0.18 1.61 0.52 -0.79 -4.98 118.95 115.81 1s18 s ARG 93 Ca 0.00 -0.78 -0.24 0.00 -0.52 0.00 0.00 55.73 54.19 1s18 s ARG 93 Cb 0.00 -1.63 0.05 0.00 0.52 0.00 0.00 34.95 33.90 1s18 s ARG 93 CO 0.00 0.44 0.88 0.20 0.02 0.00 0.00 175.30 176.85 1s18 s GLY 94 N -0.59 -0.21 -1.03 -3.53 0.00 -1.26 -0.46 107.32 100.24 1s18 s GLY 94 Ca 0.08 0.04 -0.03 0.00 0.00 0.00 0.00 44.72 44.81 1s18 s GLY 94 CO -0.00 -0.01 0.17 1.03 0.00 0.00 0.00 173.10 174.29 1s18 n MET 95 N -0.46 -2.73 -2.81 2.90 2.81 -1.26 -4.65 117.12 110.92 1s18 n MET 95 Ca -0.06 0.50 -0.44 0.00 -1.81 0.00 0.00 57.70 55.90 1s18 n MET 95 Cb 0.60 -5.13 0.00 0.00 -0.71 0.00 0.00 33.22 27.99 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 3.37 -2.69 0.03 1.02 -1.26 -4.47 120.64 113.54 1s18 n GLU 96 Ca -0.09 -3.72 -0.42 0.00 -0.02 0.00 0.00 57.16 52.91 1s18 n GLU 96 Cb 0.58 -3.09 -0.03 0.00 -0.02 0.00 0.00 31.44 28.88 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 1.68 4.30 0.00 -4.62 1.43 -1.25 -1.31 118.68 118.91 1s18 s LEU 97 Ca 0.44 1.59 0.01 0.00 -1.03 0.00 0.00 54.13 55.14 1s18 s LEU 97 Cb -0.00 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1s18 s LEU 97 CO 0.01 -0.38 0.39 -1.54 0.23 0.00 0.00 176.35 175.06 1s18 n SER 98 N 4.58 0.78 -2.24 2.29 3.41 -0.37 -3.71 113.62 118.35 1s18 n SER 98 Ca 0.08 -0.89 -0.04 0.00 -0.26 0.00 0.00 58.87 57.76 1s18 n SER 98 Cb 0.50 0.27 0.02 0.00 -0.26 0.00 0.00 64.21 64.73 1s18 n SER 98 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1s18 n ASP 99 N -0.25 -1.31 -3.71 4.04 -0.08 -1.25 -4.42 116.55 109.57 1s18 n ASP 99 Ca 0.00 -1.83 -0.11 0.00 -1.51 0.00 0.00 54.79 51.34 1s18 n ASP 99 Cb 0.01 2.16 -0.11 0.00 2.34 0.00 0.00 41.12 45.52 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 0.15 0.05 -2.67 2.96 -1.26 -3.94 118.68 113.97 1s18 s LEU 100 Ca 0.12 0.82 -0.21 0.00 -0.22 0.00 0.00 54.13 54.63 1s18 s LEU 100 Cb -0.03 1.27 0.05 0.00 0.50 0.00 0.00 46.19 47.98 1s18 s LEU 100 CO 0.06 -0.17 0.50 -0.51 -1.32 0.00 0.00 176.35 174.90 1s18 s ILE 101 N 1.04 0.03 -0.16 6.68 2.07 -0.56 -4.55 121.20 125.74 1s18 s ILE 101 Ca -0.07 -0.29 -0.16 0.00 -1.41 0.00 0.00 60.65 58.73 1s18 s ILE 101 Cb -0.07 -0.98 -0.04 0.00 0.13 0.00 0.00 42.46 41.50 1s18 s ILE 101 CO -0.08 -0.16 0.37 -0.69 -1.91 0.00 0.00 174.94 172.47 1s18 s VAL 102 N -2.55 5.24 -0.08 4.00 1.01 -1.26 -0.69 120.40 126.07 1s18 s VAL 102 Ca -0.05 0.70 -0.05 0.00 0.00 0.00 0.00 61.98 62.59 1s18 s VAL 102 Cb -0.01 -3.71 0.04 0.00 0.00 0.00 0.00 36.38 32.70 1s18 s VAL 102 CO -0.03 0.33 0.20 0.12 0.00 0.00 0.00 175.10 175.72 1s18 s PHE 103 N 0.76 -0.25 -1.38 5.22 5.36 -0.14 -4.88 117.98 122.67 1s18 s PHE 103 Ca 0.20 0.62 -0.08 0.00 -0.96 0.00 0.00 56.93 56.71 1s18 s PHE 103 Cb -0.14 0.01 0.05 0.00 -0.34 0.00 0.00 43.02 42.60 1s18 s PHE 103 CO 0.07 -0.18 0.54 -1.71 -1.46 0.00 0.00 175.22 172.48 1s18 n ASN 104 N 3.93 -4.60 -0.56 6.13 5.15 -1.25 -1.45 115.26 122.61 1s18 n ASN 104 Ca -0.23 -0.35 -0.07 0.00 -0.60 0.00 0.00 54.58 53.33 1s18 n ASN 104 Cb 0.54 -3.76 -0.03 0.00 -0.53 0.00 0.00 39.78 35.99 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 -1.31 0.93 3.24 8.20 0.00 -1.08 -4.63 105.19 110.54 1s18 n GLY 105 Ca -0.05 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.63 1.04 -0.21 1.61 1.02 -0.53 -5.03 119.74 115.00 1s18 s LYS 106 Ca 0.00 -1.42 -0.10 0.00 0.02 0.00 0.00 55.97 54.47 1s18 s LYS 106 Cb 0.00 -0.62 -0.05 0.00 -0.52 0.00 0.00 37.83 36.64 1s18 s LYS 106 CO 0.00 0.08 0.13 -1.17 -0.92 0.00 0.00 175.35 173.47 1s18 s LEU 107 N -3.08 4.16 0.06 3.17 2.96 -1.26 -0.96 118.68 123.72 1s18 s LEU 107 Ca 0.15 0.19 0.07 0.00 -0.22 0.00 0.00 54.13 54.32 1s18 s LEU 107 Cb 0.02 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 1s18 s LEU 107 CO 0.00 0.15 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.69 1s18 s TYR 108 N 0.53 1.58 0.34 5.38 2.02 0.13 -0.21 117.35 127.12 1s18 s TYR 108 Ca 0.08 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.42 1s18 s TYR 108 Cb -0.12 -0.92 -0.01 0.00 -0.40 0.00 0.00 41.96 40.51 1s18 s TYR 108 CO -0.00 0.10 0.10 0.45 -1.57 0.00 0.00 175.55 174.63 1s18 n SER 109 N 1.64 1.44 -3.76 2.29 2.88 -0.30 -1.50 113.62 116.30 1s18 n SER 109 Ca -0.18 -2.75 -0.12 0.00 -1.33 0.00 0.00 58.87 54.48 1s18 n SER 109 Cb 0.54 0.76 -0.12 0.00 -0.75 0.00 0.00 64.21 64.63 1s18 n SER 109 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1s18 s VAL 110 N -2.74 -0.02 -0.24 2.46 0.11 -1.25 -1.29 120.40 117.43 1s18 s VAL 110 Ca 0.14 0.06 -0.18 0.00 -2.93 0.00 0.00 61.98 59.07 1s18 s VAL 110 Cb 0.01 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 1s18 s VAL 110 CO 0.10 0.02 0.53 -0.62 -3.33 0.00 0.00 175.10 171.81 1s18 s ASP 111 N 0.61 6.49 0.00 3.54 2.15 -0.18 -1.24 116.67 128.04 1s18 s ASP 111 Ca -0.04 0.60 0.32 0.00 0.43 0.00 0.00 52.55 53.85 1s18 s ASP 111 Cb -0.05 -2.29 1.90 0.00 -0.30 0.00 0.00 42.92 42.17 1s18 s ASP 111 CO -0.04 -0.26 2.22 -0.90 -0.17 0.00 0.00 175.17 176.02 1s18 n ASP 112 N 5.31 0.00 -0.13 -0.34 5.68 -0.42 -1.59 116.55 125.06 1s18 n ASP 112 Ca -0.04 -0.99 -0.25 0.00 -0.50 0.00 0.00 54.79 53.01 1s18 n ASP 112 Cb 0.50 -0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.38 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 -1.00 0.57 0.10 0.11 5.12 -1.26 -4.15 116.66 116.15 1s18 n ARG 113 Ca 0.24 0.34 0.12 0.00 -1.93 0.00 0.00 57.85 56.62 1s18 n ARG 113 Cb 0.11 -1.55 0.22 0.00 -1.16 0.00 0.00 32.46 30.08 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 -1.00 0.00 -0.23 0.55 1.35 -1.81 -3.38 112.91 108.39 1s18 h THR 114 Ca -0.54 -0.60 -0.10 0.00 -0.55 0.00 0.00 66.41 64.62 1s18 h THR 114 Cb 1.46 1.36 -0.04 0.00 -1.73 0.00 0.00 68.15 69.19 1s18 h THR 114 CO -0.33 0.00 -0.09 0.61 -0.25 0.00 0.00 175.52 175.46 1s18 n GLY 115 N 1.28 0.70 3.71 5.82 0.00 -0.62 -4.51 105.19 111.57 1s18 n GLY 115 Ca 0.04 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.96 5.02 -0.28 1.61 1.01 -1.24 -1.00 120.40 123.57 1s18 s VAL 116 Ca 0.00 1.49 -0.22 0.00 0.00 0.00 0.00 61.98 63.25 1s18 s VAL 116 Cb 0.00 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 1s18 s VAL 116 CO 0.00 0.23 0.71 -0.69 0.00 0.00 0.00 175.10 175.35 1s18 s VAL 117 N 0.95 4.89 -0.13 2.92 1.01 0.42 -1.02 120.40 129.45 1s18 s VAL 117 Ca 0.38 1.17 -0.04 0.00 0.00 0.00 0.00 61.98 63.49 1s18 s VAL 117 Cb -0.18 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 1s18 s VAL 117 CO 0.18 -0.11 0.02 -0.31 0.00 0.00 0.00 175.10 174.89 1s18 s TYR 118 N 2.72 3.20 0.10 5.22 1.51 -0.41 -0.48 117.35 129.22 1s18 s TYR 118 Ca 0.29 0.11 -0.30 0.00 -1.01 0.00 0.00 57.07 56.16 1s18 s TYR 118 Cb -0.15 -1.91 -0.06 0.00 -0.11 0.00 0.00 41.96 39.73 1s18 s TYR 118 CO 0.10 0.33 1.02 -1.14 -1.11 0.00 0.00 175.55 174.75 1s18 s GLN 119 N -0.35 4.63 -0.29 -0.62 0.74 -0.03 -1.15 119.66 122.58 1s18 s GLN 119 Ca 0.08 1.54 -0.11 0.00 0.05 0.00 0.00 55.36 56.92 1s18 s GLN 119 Cb -0.12 -3.36 -0.03 0.00 1.10 0.00 0.00 33.01 30.59 1s18 s GLN 119 CO 0.02 0.09 0.18 0.42 -0.55 0.00 0.00 175.29 175.45 1s18 s ILE 120 N 0.21 5.04 -0.28 -2.34 -1.09 0.71 -0.86 121.20 122.60 1s18 s ILE 120 Ca 0.49 -0.06 -0.01 0.00 -2.23 0.00 0.00 60.65 58.84 1s18 s ILE 120 Cb -0.25 -3.47 0.09 0.00 -1.58 0.00 0.00 42.46 37.25 1s18 s ILE 120 CO 0.31 0.17 0.08 -1.61 -1.23 0.00 0.00 174.94 172.65 1s18 s GLU 121 N 1.71 0.71 7.91 2.79 2.02 -0.29 -4.37 118.70 129.18 1s18 s GLU 121 Ca 0.06 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.19 1s18 s GLU 121 Cb -0.16 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.07 1s18 s GLU 121 CO 0.09 -0.88 0.00 0.41 0.02 0.00 0.00 175.26 174.90 1s18 n GLY 122 N 4.92 3.58 0.91 -1.39 0.00 -1.26 -0.70 105.19 111.25 1s18 n GLY 122 Ca -0.05 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 9.11 3.71 -4.88 1.61 3.41 -1.26 -4.98 113.62 120.33 1s18 n SER 123 Ca 0.00 -2.60 -0.35 0.00 -0.26 0.00 0.00 58.87 55.66 1s18 n SER 123 Cb 0.00 -0.44 -0.05 0.00 -0.26 0.00 0.00 64.21 63.45 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 -2.08 3.58 -0.23 4.33 1.02 0.12 -4.53 119.74 121.95 1s18 s LYS 124 Ca 0.37 -0.06 0.02 0.00 0.02 0.00 0.00 55.97 56.31 1s18 s LYS 124 Cb 0.26 -3.10 0.05 0.00 -0.52 0.00 0.00 37.83 34.52 1s18 s LYS 124 CO 0.13 0.67 -0.13 0.00 -0.92 0.00 0.00 175.35 175.11 1s18 s ALA 125 N -1.25 2.39 -0.26 5.17 0.00 -1.26 -1.14 121.76 125.41 1s18 s ALA 125 Ca 0.26 -1.53 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 1s18 s ALA 125 Cb -0.13 -1.44 0.03 0.00 0.00 0.00 0.00 23.12 21.58 1s18 s ALA 125 CO 0.14 -0.95 -0.03 0.08 0.00 0.00 0.00 175.76 175.01 1s18 s VAL 126 N 1.21 3.08 0.23 0.00 1.01 -0.04 -4.91 120.40 120.98 1s18 s VAL 126 Ca -0.04 -1.00 -0.32 0.00 0.00 0.00 0.00 61.98 60.62 1s18 s VAL 126 Cb -0.18 -2.59 -0.13 0.00 0.00 0.00 0.00 36.38 33.48 1s18 s VAL 126 CO -0.07 0.15 1.48 -2.65 0.00 0.00 0.00 175.10 174.00 1s18 n PRO 127 N 4.70 2.16 0.00 2.72 -0.02 -1.26 -0.85 135.00 142.44 1s18 n PRO 127 Ca -0.16 0.77 -0.04 0.00 -2.02 0.00 0.00 63.50 62.06 1s18 n PRO 127 Cb 0.47 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.46 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 2.33 0.00 -4.16 6.00 -0.00 0.37 -4.84 117.44 117.14 1s18 n TRP 128 Ca 0.13 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.52 1s18 n TRP 128 Cb 0.32 -0.15 -0.10 0.00 -0.00 0.00 0.00 31.31 31.37 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 -2.17 0.68 -0.05 5.87 -7.23 -1.16 -5.01 120.40 111.33 1s18 s VAL 129 Ca -0.07 -1.89 0.03 0.00 -1.81 0.00 0.00 61.98 58.24 1s18 s VAL 129 Cb 0.02 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 35.33 1s18 s VAL 129 CO 0.10 -0.85 -0.14 -0.51 -0.31 0.00 0.00 175.10 173.39 1s18 s ILE 130 N -3.52 1.19 -0.23 -0.62 2.07 -1.26 -0.43 121.20 118.39 1s18 s ILE 130 Ca 0.11 -0.55 -0.01 0.00 -1.41 0.00 0.00 60.65 58.79 1s18 s ILE 130 Cb 0.05 -1.05 0.03 0.00 0.13 0.00 0.00 42.46 41.61 1s18 s ILE 130 CO -0.05 0.36 -0.10 -0.76 -1.91 0.00 0.00 174.94 172.48 1s18 s LEU 131 N 0.33 2.94 0.45 8.50 1.43 -0.17 -4.99 118.68 127.18 1s18 s LEU 131 Ca -0.08 -0.85 -0.13 0.00 -1.03 0.00 0.00 54.13 52.04 1s18 s LEU 131 Cb -0.13 -1.61 -0.07 0.00 0.03 0.00 0.00 46.19 44.42 1s18 s LEU 131 CO 0.03 -0.10 0.85 -0.44 0.23 0.00 0.00 176.35 176.92 1s18 s SER 132 N 1.30 6.54 0.75 2.29 0.01 -1.26 -0.97 113.70 122.36 1s18 s SER 132 Ca 0.01 1.29 -0.11 0.00 1.31 0.00 0.00 55.95 58.45 1s18 s SER 132 Cb -0.16 -2.39 0.05 0.00 0.21 0.00 0.00 66.02 63.72 1s18 s SER 132 CO -0.07 -0.48 1.09 -0.62 0.41 0.00 0.00 173.24 173.57 1s18 s ASP 133 N -3.17 4.69 1.94 2.44 2.15 -0.37 -4.32 116.67 120.03 1s18 s ASP 133 Ca 0.54 1.80 0.00 0.00 0.43 0.00 0.00 52.55 55.32 1s18 s ASP 133 Cb -0.10 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1s18 s ASP 133 CO 0.32 -1.91 0.00 0.61 -0.17 0.00 0.00 175.17 174.02 1s18 n GLY 134 N -1.31 3.43 0.02 2.66 0.00 -1.25 -1.38 105.19 107.36 1s18 n GLY 134 Ca 0.09 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 45.99 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 5.24 0.06 0.00 1.61 5.68 -1.26 -4.80 116.55 123.08 1s18 n ASP 135 Ca 0.00 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 1s18 n ASP 135 Cb 0.00 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 1s18 n ASP 135 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s18 n GLY 136 N 0.54 0.88 1.22 6.12 0.00 -0.48 -4.86 105.19 108.61 1s18 n GLY 136 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 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 0.95 -3.82 2.61 -2.24 -1.26 -4.85 114.28 103.67 1s18 n THR 137 Ca 0.00 -0.97 -0.36 0.00 -2.27 0.00 0.00 64.05 60.44 1s18 n THR 137 Cb 0.00 0.55 -0.07 0.00 -2.10 0.00 0.00 70.33 68.71 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 5.47 0.21 2.28 1.01 -1.25 -5.01 120.40 122.06 1s18 s VAL 138 Ca 0.44 0.21 -0.08 0.00 0.00 0.00 0.00 61.98 62.55 1s18 s VAL 138 Cb 0.23 -3.43 0.15 0.00 0.00 0.00 0.00 36.38 33.33 1s18 s VAL 138 CO 0.30 0.55 1.77 -0.33 0.00 0.00 0.00 175.10 177.40 1s18 h GLU 139 N 5.59 1.16 -7.15 2.72 5.08 -1.93 -3.31 114.58 116.74 1s18 h GLU 139 Ca -0.50 -0.21 -0.48 0.00 -1.00 0.00 0.00 59.36 57.18 1s18 h GLU 139 Cb 1.20 -0.19 0.03 0.00 0.50 0.00 0.00 28.75 30.30 1s18 h GLU 139 CO 0.65 0.94 0.38 -1.59 -1.00 0.00 0.00 179.01 178.38 1s18 s LYS 140 N -5.56 3.70 0.47 2.33 -2.85 -1.26 -4.82 119.74 111.75 1s18 s LYS 140 Ca -0.12 1.17 -0.24 0.00 -1.00 0.00 0.00 55.97 55.78 1s18 s LYS 140 Cb 0.15 -2.09 -0.07 0.00 -2.06 0.00 0.00 37.83 33.76 1s18 s LYS 140 CO 0.83 -0.49 1.36 0.20 0.10 0.00 0.00 175.35 177.35 1s18 s GLY 141 N -2.58 2.90 0.21 0.59 0.00 -1.26 -1.23 107.32 105.94 1s18 s GLY 141 Ca 0.63 1.34 -0.31 0.00 0.00 0.00 0.00 44.72 46.39 1s18 s GLY 141 CO 0.28 1.91 1.46 -0.12 0.00 0.00 0.00 173.10 176.64 1s18 s PHE 142 N -1.27 3.07 -1.40 1.90 5.36 -0.15 -4.50 117.98 120.99 1s18 s PHE 142 Ca 0.64 0.92 -0.14 0.00 -0.96 0.00 0.00 56.93 57.38 1s18 s PHE 142 Cb -0.40 -3.82 0.06 0.00 -0.34 0.00 0.00 43.02 38.51 1s18 s PHE 142 CO 0.51 -2.80 2.08 1.17 -1.46 0.00 0.00 175.22 174.72 1s18 n LYS 143 N 2.98 3.01 -1.99 10.12 4.81 -1.26 -3.92 118.16 131.91 1s18 n LYS 143 Ca 0.09 -2.86 -0.41 0.00 -0.87 0.00 0.00 58.31 54.27 1s18 n LYS 143 Cb 0.40 -3.29 -0.02 0.00 0.02 0.00 0.00 35.03 32.14 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 3.09 3.58 0.00 3.14 0.00 -1.26 -4.37 121.76 125.93 1s18 s ALA 144 Ca 0.48 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.80 1s18 s ALA 144 Cb 0.11 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1s18 s ALA 144 CO -0.05 -0.78 0.00 0.39 0.00 0.00 0.00 175.76 175.32 1s18 n GLU 145 N 1.45 2.32 -3.92 0.00 -0.58 0.98 -4.38 120.64 116.51 1s18 n GLU 145 Ca 0.03 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.68 1s18 n GLU 145 Cb 0.40 -0.81 -0.10 0.00 -0.57 0.00 0.00 31.44 30.36 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 -1.36 0.16 -0.02 -0.32 1.48 -0.76 -4.48 118.94 113.64 1s18 s TRP 146 Ca 0.00 -0.38 0.03 0.00 -1.06 0.00 0.00 56.10 54.70 1s18 s TRP 146 Cb 0.00 -0.12 -0.00 0.00 -1.16 0.00 0.00 33.47 32.19 1s18 s TRP 146 CO 0.00 -0.30 -0.11 -0.51 -4.06 0.00 0.00 176.95 171.97 1s18 s LEU 147 N -1.72 1.93 0.16 -4.66 1.43 -1.26 -1.44 118.68 113.12 1s18 s LEU 147 Ca -0.11 -0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 52.72 1s18 s LEU 147 Cb -0.05 -0.61 -0.02 0.00 0.03 0.00 0.00 46.19 45.54 1s18 s LEU 147 CO -0.02 0.12 0.21 0.00 0.23 0.00 0.00 176.35 176.90 1s18 s ALA 148 N -0.09 0.30 -0.04 4.21 0.00 -0.38 -4.61 121.76 121.15 1s18 s ALA 148 Ca 0.01 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 50.91 1s18 s ALA 148 Cb -0.06 0.89 0.00 0.00 0.00 0.00 0.00 23.12 23.95 1s18 s ALA 148 CO 0.00 -0.60 -0.13 0.08 0.00 0.00 0.00 175.76 175.11 1s18 s VAL 149 N -4.00 1.09 -0.13 0.00 1.01 -1.26 -0.11 120.40 117.00 1s18 s VAL 149 Ca 0.20 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 1s18 s VAL 149 Cb 0.05 -0.97 0.06 0.00 0.00 0.00 0.00 36.38 35.52 1s18 s VAL 149 CO 0.01 0.33 0.30 -0.75 0.00 0.00 0.00 175.10 174.99 1s18 s LYS 150 N 0.26 0.23 -1.37 2.72 2.20 -0.45 -4.44 119.74 118.88 1s18 s LYS 150 Ca -0.06 0.70 -0.01 0.00 -0.36 0.00 0.00 55.97 56.23 1s18 s LYS 150 Cb -0.11 -0.03 0.01 0.00 -1.51 0.00 0.00 37.83 36.18 1s18 s LYS 150 CO 0.02 -0.21 0.57 -0.25 -0.36 0.00 0.00 175.35 175.12 1s18 n ASP 151 N 4.73 -0.93 -1.54 1.43 9.92 -1.26 -1.97 116.55 126.93 1s18 n ASP 151 Ca -0.17 -0.91 -0.16 0.00 -0.53 0.00 0.00 54.79 53.02 1s18 n ASP 151 Cb 0.52 -3.53 -0.04 0.00 -0.64 0.00 0.00 41.12 37.43 1s18 n ASP 151 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1s18 n GLU 152 N -4.35 -1.19 -4.10 -1.24 1.02 -1.26 -4.98 120.64 104.53 1s18 n GLU 152 Ca -0.28 0.90 -0.15 0.00 -0.02 0.00 0.00 57.16 57.61 1s18 n GLU 152 Cb 0.67 -5.19 -0.12 0.00 -0.02 0.00 0.00 31.44 26.79 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 -4.13 0.64 -0.28 3.49 0.52 -0.83 -4.04 118.95 114.32 1s18 s ARG 153 Ca 0.00 -0.85 -0.11 0.00 -0.52 0.00 0.00 55.73 54.25 1s18 s ARG 153 Cb 0.00 -0.48 -0.05 0.00 0.52 0.00 0.00 34.95 34.94 1s18 s ARG 153 CO 0.00 0.09 0.20 -1.17 0.02 0.00 0.00 175.30 174.44 1s18 s LEU 154 N -1.68 4.02 -0.17 2.53 2.96 -0.28 -1.34 118.68 124.72 1s18 s LEU 154 Ca -0.06 0.00 -0.13 0.00 -0.22 0.00 0.00 54.13 53.71 1s18 s LEU 154 Cb -0.10 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 1s18 s LEU 154 CO 0.01 -0.05 0.28 -0.31 -1.32 0.00 0.00 176.35 174.95 1s18 s TYR 155 N 1.76 3.44 -0.22 5.38 2.02 0.85 -0.42 117.35 130.15 1s18 s TYR 155 Ca 0.07 0.54 0.02 0.00 -0.37 0.00 0.00 57.07 57.33 1s18 s TYR 155 Cb -0.16 -2.33 0.05 0.00 -0.40 0.00 0.00 41.96 39.11 1s18 s TYR 155 CO 0.11 0.21 -0.13 0.08 -1.57 0.00 0.00 175.55 174.25 1s18 s VAL 156 N 0.58 2.00 0.40 0.71 1.01 0.49 -1.25 120.40 124.34 1s18 s VAL 156 Ca 0.15 -1.30 0.08 0.00 0.00 0.00 0.00 61.98 60.90 1s18 s VAL 156 Cb -0.13 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 34.17 1s18 s VAL 156 CO 0.03 0.16 0.13 -0.83 0.00 0.00 0.00 175.10 174.60 1s18 s GLY 157 N 1.23 2.31 0.00 4.51 0.00 -0.52 -0.84 107.32 114.00 1s18 s GLY 157 Ca -0.03 -2.11 0.00 0.00 0.00 0.00 0.00 44.72 42.58 1s18 s GLY 157 CO -0.08 -1.93 0.00 0.61 0.00 0.00 0.00 173.10 171.70 1s18 n GLY 158 N -1.15 6.96 0.26 0.20 0.00 -1.26 -0.01 105.19 110.18 1s18 n GLY 158 Ca -0.02 -2.03 0.11 0.00 0.00 0.00 0.00 46.02 44.07 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 3.38 -1.70 -3.43 115.31 114.55 1s18 h LEU 159 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s18 h LEU 159 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1s18 h LEU 159 CO 0.00 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.26 1s18 n GLY 160 N -0.92 0.59 3.15 0.83 0.00 -0.59 -0.68 105.19 107.58 1s18 n GLY 160 Ca -0.02 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.09 0.90 0.41 1.61 -2.85 -1.26 -4.85 119.74 112.60 1s18 s LYS 161 Ca 0.00 -1.42 -0.26 0.00 -1.00 0.00 0.00 55.97 53.29 1s18 s LYS 161 Cb 0.00 0.15 -0.10 0.00 -2.06 0.00 0.00 37.83 35.82 1s18 s LYS 161 CO 0.00 -0.21 1.38 0.39 0.10 0.00 0.00 175.35 177.01 1s18 n GLU 162 N -0.08 2.26 -2.22 1.78 1.02 -1.26 -4.38 120.64 117.76 1s18 n GLU 162 Ca -0.07 0.80 -0.42 0.00 -0.02 0.00 0.00 57.16 57.45 1s18 n GLU 162 Cb 0.63 -2.53 -0.03 0.00 -0.02 0.00 0.00 31.44 29.49 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 -1.16 3.26 0.30 -0.32 -0.11 -0.07 -4.93 118.94 115.92 1s18 s TRP 163 Ca 0.58 1.01 0.07 0.00 1.22 0.00 0.00 56.10 58.99 1s18 s TRP 163 Cb -0.49 -3.63 -0.06 0.00 -1.50 0.00 0.00 33.47 27.79 1s18 s TRP 163 CO 0.60 -2.17 -0.06 0.95 -4.62 0.00 0.00 176.95 171.65 1s18 s THR 164 N 1.17 1.80 1.14 5.86 -4.23 -1.26 -0.04 115.64 120.08 1s18 s THR 164 Ca 0.63 -2.14 -0.15 0.00 -1.18 0.00 0.00 61.69 58.86 1s18 s THR 164 Cb -0.35 -2.54 0.26 0.00 1.34 0.00 0.00 72.50 71.20 1s18 s THR 164 CO 0.30 -0.25 1.06 0.42 -0.54 0.00 0.00 174.62 175.62 1s18 s THR 165 N -2.90 1.83 0.67 3.99 -4.23 -0.53 -4.85 115.64 109.62 1s18 s THR 165 Ca 0.31 0.00 0.39 0.00 -1.18 0.00 0.00 61.69 61.21 1s18 s THR 165 Cb 0.04 -2.35 0.39 0.00 1.34 0.00 0.00 72.50 71.92 1s18 s THR 165 CO 0.14 0.00 2.19 0.71 -0.54 0.00 0.00 174.62 177.12 1s18 h THR 166 N -2.41 0.01 -0.15 3.99 1.35 -1.93 -1.12 112.91 112.66 1s18 h THR 166 Ca -0.54 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1s18 h THR 166 Cb 1.33 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1s18 h THR 166 CO 0.48 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.10 1s18 n THR 167 N -3.02 0.23 -0.24 6.82 -2.24 -1.26 -1.70 114.28 112.86 1s18 n THR 167 Ca -0.03 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1s18 n THR 167 Cb 0.20 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 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 1.03 0.86 3.70 3.38 0.00 -0.42 -4.76 105.19 108.98 1s18 n GLY 168 Ca 0.12 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1s18 n GLY 168 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s18 s ASP 169 N -2.20 6.98 0.12 1.61 1.01 -1.26 -4.79 116.67 118.14 1s18 s ASP 169 Ca 0.00 1.19 -0.31 0.00 0.71 0.00 0.00 52.55 54.14 1s18 s ASP 169 Cb 0.00 -2.42 -0.09 0.00 1.01 0.00 0.00 42.92 41.42 1s18 s ASP 169 CO 0.00 -0.18 1.51 -0.69 0.21 0.00 0.00 175.17 176.02 1s18 s VAL 170 N 1.11 2.98 -0.15 -1.27 1.01 -1.26 -1.45 120.40 121.36 1s18 s VAL 170 Ca 0.38 0.65 -0.07 0.00 0.00 0.00 0.00 61.98 62.95 1s18 s VAL 170 Cb -0.18 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 32.71 1s18 s VAL 170 CO 0.17 0.04 -0.19 0.52 0.00 0.00 0.00 175.10 175.64 1s18 n VAL 171 N 4.11 0.85 -3.83 2.92 0.31 0.94 -4.95 118.33 118.68 1s18 n VAL 171 Ca 0.13 -0.23 -0.07 0.00 -0.01 0.00 0.00 64.34 64.16 1s18 n VAL 171 Cb 0.40 -1.62 0.01 0.00 -0.91 0.00 0.00 33.84 31.73 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 -6.26 -0.07 -0.13 4.52 2.20 -1.20 -5.01 114.94 108.99 1s18 s ASN 172 Ca -0.21 -0.90 0.16 0.00 -0.94 0.00 0.00 52.86 50.96 1s18 s ASN 172 Cb 0.08 0.75 0.57 0.00 -2.00 0.00 0.00 41.25 40.65 1s18 s ASN 172 CO 0.28 -1.46 1.49 -0.62 -2.94 0.00 0.00 177.10 173.84 1s18 n GLU 173 N -0.53 3.39 -0.16 3.55 1.02 -1.26 -0.89 120.64 125.76 1s18 n GLU 173 Ca -0.06 -2.72 0.07 0.00 -0.02 0.00 0.00 57.16 54.42 1s18 n GLU 173 Cb 0.60 -1.78 0.38 0.00 -0.02 0.00 0.00 31.44 30.61 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 2.78 0.61 0.00 1.62 2.35 -1.96 -0.79 115.58 120.19 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 1.35 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.59 1s18 h ASN 174 CO 0.21 0.40 0.00 -2.65 -1.65 0.00 0.00 177.43 173.73 1s18 n PRO 175 N -4.48 0.63 -0.19 0.81 -0.02 -1.26 -2.21 135.00 128.27 1s18 n PRO 175 Ca 0.10 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.68 1s18 n PRO 175 Cb 0.23 -1.49 0.20 0.00 -0.02 0.00 0.00 33.50 32.42 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 -0.99 2.38 -3.08 -0.52 1.02 -0.30 -1.54 120.64 117.61 1s18 n GLU 176 Ca 0.15 -2.18 -0.31 0.00 -0.02 0.00 0.00 57.16 54.80 1s18 n GLU 176 Cb 0.07 -1.45 -0.04 0.00 -0.02 0.00 0.00 31.44 30.00 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 -1.27 3.44 -0.02 -0.32 0.52 -0.94 -0.93 118.94 119.43 1s18 s TRP 177 Ca 0.35 0.98 0.05 0.00 0.02 0.00 0.00 56.10 57.50 1s18 s TRP 177 Cb 0.20 -2.37 -0.01 0.00 -1.15 0.00 0.00 33.47 30.13 1s18 s TRP 177 CO 0.27 0.04 -0.17 0.08 0.02 0.00 0.00 176.95 177.19 1s18 s VAL 178 N -2.16 1.33 -0.13 4.03 1.01 0.18 -4.20 120.40 120.46 1s18 s VAL 178 Ca 0.50 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.69 1s18 s VAL 178 Cb -0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1s18 s VAL 178 CO 0.27 0.38 0.15 -0.54 0.00 0.00 0.00 175.10 175.35 1s18 s LYS 179 N -0.31 3.55 -0.18 2.72 3.01 -0.02 0.02 119.74 128.52 1s18 s LYS 179 Ca 0.05 -0.13 0.01 0.00 -1.01 0.00 0.00 55.97 54.89 1s18 s LYS 179 Cb -0.07 -3.22 0.03 0.00 -1.01 0.00 0.00 37.83 33.55 1s18 s LYS 179 CO -0.00 0.72 -0.17 0.08 0.51 0.00 0.00 175.35 176.49 1s18 s VAL 180 N -0.85 1.91 -0.16 3.17 1.01 0.34 -0.38 120.40 125.44 1s18 s VAL 180 Ca 0.14 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 1s18 s VAL 180 Cb -0.12 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 1s18 s VAL 180 CO 0.03 0.42 -0.12 -0.69 0.00 0.00 0.00 175.10 174.74 1s18 s VAL 181 N 1.33 2.94 0.84 2.92 1.01 0.44 -0.76 120.40 129.11 1s18 s VAL 181 Ca 0.03 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.21 1s18 s VAL 181 Cb -0.14 -2.26 0.10 0.00 0.00 0.00 0.00 36.38 34.07 1s18 s VAL 181 CO -0.11 0.50 1.17 -0.83 0.00 0.00 0.00 175.10 175.83 1s18 s GLY 182 N 0.77 1.59 0.30 4.51 0.00 0.17 -1.12 107.32 113.54 1s18 s GLY 182 Ca -0.05 -0.62 0.26 0.00 0.00 0.00 0.00 44.72 44.31 1s18 s GLY 182 CO 0.01 -0.11 1.76 0.10 0.00 0.00 0.00 173.10 174.86 1s18 h TYR 183 N -1.18 0.00 -0.22 1.90 -0.00 -1.89 0.07 116.97 115.64 1s18 h TYR 183 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.26 1s18 h TYR 183 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.06 1s18 h TYR 183 CO 0.29 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 180.08 1s18 n LYS 184 N -2.40 2.40 0.00 0.10 5.02 -1.26 -4.96 118.16 117.05 1s18 n LYS 184 Ca 0.02 -2.07 0.00 0.00 -2.02 0.00 0.00 58.31 54.24 1s18 n LYS 184 Cb 0.28 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 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 1.42 0.89 3.76 0.72 0.00 0.01 -5.08 105.19 106.92 1s18 n GLY 185 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1s18 n GLY 185 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s18 s SER 186 N -2.15 5.92 -0.08 1.61 0.01 -1.26 -4.67 113.70 113.07 1s18 s SER 186 Ca 0.00 2.72 0.04 0.00 1.31 0.00 0.00 55.95 60.01 1s18 s SER 186 Cb 0.00 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1s18 s SER 186 CO 0.00 -1.13 -0.20 -0.69 0.41 0.00 0.00 173.24 171.63 1s18 s VAL 187 N -1.29 1.73 0.16 3.43 1.01 -1.26 0.43 120.40 124.62 1s18 s VAL 187 Ca 0.62 -0.83 0.10 0.00 0.00 0.00 0.00 61.98 61.87 1s18 s VAL 187 Cb -0.39 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1s18 s VAL 187 CO 0.49 0.49 -0.21 -1.81 0.00 0.00 0.00 175.10 174.06 1s18 s ASP 188 N 0.39 3.66 -0.18 3.32 1.01 0.06 -4.97 116.67 119.96 1s18 s ASP 188 Ca -0.16 -0.72 -0.01 0.00 0.71 0.00 0.00 52.55 52.37 1s18 s ASP 188 Cb -0.17 -0.39 -0.00 0.00 1.01 0.00 0.00 42.92 43.37 1s18 s ASP 188 CO 0.07 0.14 -0.12 -1.00 0.21 0.00 0.00 175.17 174.47 1s18 s HIS 189 N -1.42 2.86 0.01 4.23 3.76 -1.26 -0.51 115.29 122.96 1s18 s HIS 189 Ca 0.19 -1.10 0.07 0.00 -0.15 0.00 0.00 55.06 54.08 1s18 s HIS 189 Cb -0.09 -1.98 -0.03 0.00 1.11 0.00 0.00 32.58 31.59 1s18 s HIS 189 CO 0.10 -0.55 -0.22 -1.21 -0.85 0.00 0.00 174.74 172.01 1s18 s GLU 190 N 1.14 2.09 -0.43 1.40 2.02 0.10 -4.97 118.70 120.05 1s18 s GLU 190 Ca 0.01 -0.95 -0.20 0.00 0.02 0.00 0.00 54.97 53.86 1s18 s GLU 190 Cb -0.14 -2.12 0.02 0.00 0.10 0.00 0.00 34.13 31.99 1s18 s GLU 190 CO -0.04 0.55 0.58 1.21 0.02 0.00 0.00 175.26 177.58 1s18 s ASN 191 N -0.99 6.28 -0.19 -0.19 3.84 -1.26 -0.65 114.94 121.78 1s18 s ASN 191 Ca 0.12 -0.46 0.16 0.00 0.21 0.00 0.00 52.86 52.88 1s18 s ASN 191 Cb -0.10 -2.29 0.74 0.00 -0.55 0.00 0.00 41.25 39.05 1s18 s ASN 191 CO 0.02 -0.72 1.66 0.79 -2.79 0.00 0.00 177.10 176.05 1s18 n TRP 192 N 6.05 1.70 -0.20 0.43 7.02 -0.11 -4.60 117.44 127.74 1s18 n TRP 192 Ca -0.04 -0.71 0.00 0.00 -1.02 0.00 0.00 57.50 55.74 1s18 n TRP 192 Cb 0.48 -0.39 0.11 0.00 -2.42 0.00 0.00 31.31 29.08 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 3.66 0.64 -0.68 -0.99 2.07 -1.90 0.32 116.25 119.36 1s18 h VAL 193 Ca 0.00 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1s18 h VAL 193 Cb 1.72 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 1s18 h VAL 193 CO 0.37 0.05 0.30 -1.28 0.02 0.00 0.00 177.57 177.03 1s18 h SER 194 N 0.25 0.91 -0.06 0.57 0.87 -1.93 0.03 113.55 114.20 1s18 h SER 194 Ca 0.31 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1s18 h SER 194 Cb 0.46 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1s18 h SER 194 CO -0.40 0.81 0.03 0.78 -0.53 0.00 0.00 176.83 177.52 1s18 h ASN 195 N 0.95 0.07 -0.73 6.23 2.35 -1.68 -0.44 115.58 122.33 1s18 h ASN 195 Ca 0.23 -0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.85 1s18 h ASN 195 Cb 0.16 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 1s18 h ASN 195 CO -0.02 0.11 0.20 1.88 -1.65 0.00 0.00 177.43 177.94 1s18 h TYR 196 N 0.02 1.21 -0.72 1.19 0.05 -0.81 -1.43 116.97 116.47 1s18 h TYR 196 Ca 0.02 -0.14 -0.01 0.00 0.05 0.00 0.00 58.73 58.65 1s18 h TYR 196 Cb 0.06 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.42 1s18 h TYR 196 CO -0.05 0.97 0.40 -0.91 -1.05 0.00 0.00 178.16 177.52 1s18 h ASN 197 N 1.10 0.89 -0.21 3.88 2.35 -0.84 -1.30 115.58 121.45 1s18 h ASN 197 Ca 0.23 -0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.80 1s18 h ASN 197 Cb 0.35 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1s18 h ASN 197 CO -0.00 0.71 -0.25 0.00 -1.65 0.00 0.00 177.43 176.24 1s18 h ALA 198 N 1.44 0.93 -0.45 -0.83 0.00 -0.53 -0.63 119.26 119.18 1s18 h ALA 198 Ca 0.26 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1s18 h ALA 198 Cb 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1s18 h ALA 198 CO -0.04 0.62 0.09 -0.07 0.00 0.00 0.00 179.25 179.84 1s18 h LEU 199 N 0.59 0.71 -0.33 0.00 3.38 -0.91 -0.93 115.31 117.82 1s18 h LEU 199 Ca 0.08 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1s18 h LEU 199 Cb 0.74 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1s18 h LEU 199 CO 0.06 0.77 0.14 -0.09 0.09 0.00 0.00 178.44 179.41 1s18 h ARG 200 N 0.61 0.48 -0.65 1.13 2.43 -1.04 -2.02 114.38 115.33 1s18 h ARG 200 Ca 0.14 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1s18 h ARG 200 Cb 0.36 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1s18 h ARG 200 CO 0.01 0.48 0.27 0.00 -1.51 0.00 0.00 179.97 179.21 1s18 h ALA 201 N 0.98 0.84 -0.06 2.80 0.00 -0.99 -2.38 119.26 120.45 1s18 h ALA 201 Ca 0.11 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1s18 h ALA 201 Cb 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1s18 h ALA 201 CO -0.01 0.45 -0.19 0.00 0.00 0.00 0.00 179.25 179.50 1s18 h ALA 202 N 1.11 1.58 0.00 0.00 0.00 -0.98 -1.61 119.26 119.36 1s18 h ALA 202 Ca 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1s18 h ALA 202 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1s18 h ALA 202 CO -0.02 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.54 1s18 n ALA 203 N -2.49 1.88 -1.43 0.00 0.00 -0.78 -4.85 120.51 112.84 1s18 n ALA 203 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1s18 n ALA 203 Cb 0.28 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.02 0.45 3.28 0.00 0.00 -0.60 -5.05 105.19 103.24 1s18 n GLY 204 Ca 0.08 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.00 2.73 0.09 -0.61 1.01 -1.06 -5.06 121.20 116.30 1s18 s ILE 205 Ca 0.00 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 59.95 1s18 s ILE 205 Cb 0.00 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1s18 s ILE 205 CO 0.00 0.52 -0.00 -1.10 0.00 0.00 0.00 174.94 174.35 1s18 s GLN 206 N 0.73 2.53 0.47 2.79 -1.52 -1.26 -3.98 119.66 119.42 1s18 s GLN 206 Ca -0.07 -0.85 -0.22 0.00 -1.95 0.00 0.00 55.36 52.27 1s18 s GLN 206 Cb -0.15 -2.53 -0.09 0.00 -0.22 0.00 0.00 33.01 30.01 1s18 s GLN 206 CO 0.01 0.54 0.96 -2.30 -0.25 0.00 0.00 175.29 174.25 1s18 n PRO 207 N 0.56 1.18 -0.16 2.91 -0.02 -1.26 -1.48 135.00 136.73 1s18 n PRO 207 Ca -0.11 0.43 0.04 0.00 -2.02 0.00 0.00 63.50 61.84 1s18 n PRO 207 Cb 0.52 -2.04 0.12 0.00 -0.02 0.00 0.00 33.50 32.07 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 -0.13 1.74 -0.87 0.52 -0.04 -1.26 -5.09 135.00 129.87 1s18 n PRO 208 Ca 0.10 -0.96 -0.29 0.00 -0.04 0.00 0.00 63.50 62.31 1s18 n PRO 208 Cb 0.42 -1.30 0.21 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.87 1.57 0.18 0.55 0.00 -0.55 -3.86 107.32 104.34 1s18 s GLY 209 Ca 0.18 -0.19 -0.22 0.00 0.00 0.00 0.00 44.72 44.49 1s18 s GLY 209 CO 0.11 0.45 0.61 -2.52 0.00 0.00 0.00 173.10 171.75 1s18 s TYR 210 N -2.72 -0.46 0.08 1.90 -0.85 -0.19 -4.80 117.35 110.29 1s18 s TYR 210 Ca 0.67 0.21 0.06 0.00 -0.52 0.00 0.00 57.07 57.48 1s18 s TYR 210 Cb -0.22 0.57 -0.04 0.00 0.38 0.00 0.00 41.96 42.66 1s18 s TYR 210 CO 0.61 -0.91 -0.10 -0.51 -1.52 0.00 0.00 175.55 173.11 1s18 s LEU 211 N -2.78 3.01 -0.13 -3.49 1.43 -1.26 -1.45 118.68 114.01 1s18 s LEU 211 Ca 0.03 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1s18 s LEU 211 Cb -0.02 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 1s18 s LEU 211 CO -0.09 0.21 -0.14 -0.63 0.23 0.00 0.00 176.35 175.92 1s18 s ILE 212 N -1.13 2.92 -0.17 -0.59 1.01 -0.56 -4.46 121.20 118.21 1s18 s ILE 212 Ca 0.20 -0.71 -0.04 0.00 0.00 0.00 0.00 60.65 60.10 1s18 s ILE 212 Cb -0.11 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 1s18 s ILE 212 CO 0.11 0.53 -0.02 -1.00 0.00 0.00 0.00 174.94 174.56 1s18 s HIS 213 N 0.39 3.05 -0.01 3.97 3.76 0.15 -0.58 115.29 126.01 1s18 s HIS 213 Ca -0.11 -0.31 0.02 0.00 -0.15 0.00 0.00 55.06 54.51 1s18 s HIS 213 Cb -0.16 -2.00 0.03 0.00 1.11 0.00 0.00 32.58 31.56 1s18 s HIS 213 CO 0.06 -0.07 0.86 0.39 -0.85 0.00 0.00 174.74 175.13 1s18 n GLU 214 N 3.72 1.74 -3.63 1.40 1.02 -1.26 -4.07 120.64 119.56 1s18 n GLU 214 Ca -0.17 -1.28 -0.15 0.00 -0.02 0.00 0.00 57.16 55.53 1s18 n GLU 214 Cb 0.52 -0.87 -0.07 0.00 -0.02 0.00 0.00 31.44 31.00 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 -0.89 -0.53 -0.03 1.62 1.04 -1.26 -4.36 113.70 109.29 1s18 s SER 215 Ca 0.03 0.70 -0.27 0.00 0.48 0.00 0.00 55.95 56.89 1s18 s SER 215 Cb 0.03 0.69 0.06 0.00 0.10 0.00 0.00 66.02 66.90 1s18 s SER 215 CO 0.00 -0.44 0.61 0.00 0.98 0.00 0.00 173.24 174.39 1s18 s ALA 216 N -0.75 -1.57 0.02 5.32 0.00 -1.26 -4.06 121.76 119.45 1s18 s ALA 216 Ca -0.08 1.08 0.01 0.00 0.00 0.00 0.00 51.96 52.97 1s18 s ALA 216 Cb -0.03 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 1s18 s ALA 216 CO 0.06 -0.38 -0.05 0.00 0.00 0.00 0.00 175.76 175.38 1s18 s TRP 218 N -0.79 3.52 -0.31 0.00 -0.11 -1.26 -0.49 118.94 119.49 1s18 s TRP 218 Ca -0.05 0.46 -0.07 0.00 1.22 0.00 0.00 56.10 57.66 1s18 s TRP 218 Cb -0.06 -2.04 0.02 0.00 -1.50 0.00 0.00 33.47 29.89 1s18 s TRP 218 CO -0.00 0.55 0.09 0.45 -4.62 0.00 0.00 176.95 173.42 1s18 s SER 219 N -0.45 5.19 0.17 5.86 0.15 -0.48 -4.86 113.70 119.29 1s18 s SER 219 Ca 0.12 -0.88 -0.11 0.00 0.70 0.00 0.00 55.95 55.79 1s18 s SER 219 Cb -0.12 -1.88 0.05 0.00 -1.71 0.00 0.00 66.02 62.37 1s18 s SER 219 CO 0.02 -0.25 1.65 0.44 1.20 0.00 0.00 173.24 176.30 1s18 h ASP 220 N 8.23 0.93 -0.66 5.45 3.32 -1.93 0.18 116.42 131.94 1s18 h ASP 220 Ca -0.28 -0.27 0.06 0.00 0.02 0.00 0.00 57.03 56.55 1s18 h ASP 220 Cb 1.11 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.36 1s18 h ASP 220 CO 0.60 0.97 0.37 0.74 -1.72 0.00 0.00 179.24 180.20 1s18 h THR 221 N 0.86 0.97 -0.01 0.35 2.02 -1.94 -3.06 112.91 112.10 1s18 h THR 221 Ca 0.17 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1s18 h THR 221 Cb 0.45 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1s18 h THR 221 CO 0.02 0.12 -0.77 0.18 0.37 0.00 0.00 175.52 175.44 1s18 n LEU 222 N -4.79 1.31 -3.76 2.58 4.77 -1.20 -4.99 117.00 110.92 1s18 n LEU 222 Ca 0.08 -0.59 -0.27 0.00 -0.03 0.00 0.00 56.01 55.20 1s18 n LEU 222 Cb 0.17 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1s18 n LEU 222 CO 0.29 0.28 -0.12 0.00 -1.33 0.00 0.00 177.39 176.51 1s18 n GLN 223 N -0.96 -2.72 -3.83 3.23 6.02 0.61 -5.01 117.38 114.72 1s18 n GLN 223 Ca 0.06 0.48 -0.12 0.00 -0.01 0.00 0.00 57.00 57.41 1s18 n GLN 223 Cb 0.36 -4.52 -0.10 0.00 1.02 0.00 0.00 30.24 27.00 1s18 n GLN 223 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1s18 s ARG 224 N -6.13 0.53 0.18 -1.09 0.52 -1.10 -4.18 118.95 107.67 1s18 s ARG 224 Ca 0.22 -0.30 -0.23 0.00 -0.52 0.00 0.00 55.73 54.89 1s18 s ARG 224 Cb -0.07 0.23 -0.08 0.00 0.52 0.00 0.00 34.95 35.54 1s18 s ARG 224 CO 0.86 -0.13 0.75 -1.58 0.02 0.00 0.00 175.30 175.21 1s18 s TRP 225 N -1.29 3.82 -0.02 -0.53 0.52 -0.12 -1.38 118.94 119.95 1s18 s TRP 225 Ca -0.14 1.54 0.06 0.00 0.02 0.00 0.00 56.10 57.59 1s18 s TRP 225 Cb -0.07 -2.71 -0.02 0.00 -1.15 0.00 0.00 33.47 29.53 1s18 s TRP 225 CO 0.02 0.47 -0.21 -0.06 0.02 0.00 0.00 176.95 177.19 1s18 s PHE 226 N -1.26 1.92 -0.01 -1.98 0.08 0.35 0.11 117.98 117.19 1s18 s PHE 226 Ca 0.37 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 57.08 1s18 s PHE 226 Cb -0.21 -1.24 -0.01 0.00 -0.57 0.00 0.00 43.02 40.99 1s18 s PHE 226 CO 0.24 -0.05 -0.11 -0.06 -0.10 0.00 0.00 175.22 175.14 1s18 s PHE 227 N -0.45 1.03 -0.55 0.36 0.08 -0.11 -1.27 117.98 117.06 1s18 s PHE 227 Ca 0.07 -0.20 0.04 0.00 0.12 0.00 0.00 56.93 56.96 1s18 s PHE 227 Cb -0.09 -0.67 0.15 0.00 -0.57 0.00 0.00 43.02 41.84 1s18 s PHE 227 CO -0.00 -0.03 0.34 -0.51 -0.10 0.00 0.00 175.22 174.92 1s18 s LEU 228 N -0.22 3.81 0.35 -0.37 1.43 -1.26 -1.27 118.68 121.15 1s18 s LEU 228 Ca 0.04 -3.20 -0.29 0.00 -1.03 0.00 0.00 54.13 49.64 1s18 s LEU 228 Cb -0.05 -1.38 -0.11 0.00 0.03 0.00 0.00 46.19 44.68 1s18 s LEU 228 CO -0.00 -0.18 1.53 -2.16 0.23 0.00 0.00 176.35 175.76 1s18 s PRO 229 N -0.49 4.10 0.24 1.29 0.04 -1.25 -4.59 135.00 134.33 1s18 s PRO 229 Ca 0.21 2.59 -0.05 0.00 0.04 0.00 0.00 61.00 63.79 1s18 s PRO 229 Cb -0.16 -2.98 0.25 0.00 0.04 0.00 0.00 34.50 31.65 1s18 s PRO 229 CO -0.07 -0.58 1.81 -0.09 0.04 0.00 0.00 177.00 178.10 1s18 h ARG 230 N 3.58 1.10 -4.57 4.56 9.65 -0.92 -3.39 114.38 124.40 1s18 h ARG 230 Ca -0.50 -0.19 -0.33 0.00 -1.10 0.00 0.00 59.98 57.86 1s18 h ARG 230 Cb 1.23 -0.18 -0.25 0.00 -1.39 0.00 0.00 29.97 29.38 1s18 h ARG 230 CO 0.69 0.89 -0.75 1.03 2.80 0.00 0.00 179.97 184.63 1s18 s ARG 231 N -5.50 0.55 -0.05 0.20 1.81 -1.09 -3.50 118.95 111.37 1s18 s ARG 231 Ca -0.12 -0.47 -0.02 0.00 -1.72 0.00 0.00 55.73 53.40 1s18 s ARG 231 Cb 0.16 -0.46 0.04 0.00 -0.45 0.00 0.00 34.95 34.23 1s18 s ARG 231 CO 0.83 0.11 0.11 0.00 -0.68 0.00 0.00 175.30 175.67 1s18 s ALA 232 N -0.66 -0.11 -0.05 2.13 0.00 -0.43 -1.50 121.76 121.13 1s18 s ALA 232 Ca -0.02 0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.42 1s18 s ALA 232 Cb -0.06 -0.46 0.03 0.00 0.00 0.00 0.00 23.12 22.63 1s18 s ALA 232 CO 0.00 -0.23 0.12 0.45 0.00 0.00 0.00 175.76 176.11 1s18 s SER 233 N 1.39 -0.10 0.27 0.00 0.15 -0.53 -4.78 113.70 110.11 1s18 s SER 233 Ca -0.06 0.25 0.25 0.00 0.70 0.00 0.00 55.95 57.09 1s18 s SER 233 Cb -0.12 0.18 0.60 0.00 -1.71 0.00 0.00 66.02 64.97 1s18 s SER 233 CO -0.05 -0.11 1.66 1.56 1.20 0.00 0.00 173.24 177.50 1s18 h GLN 234 N 6.78 0.00 -6.21 5.44 1.08 -1.94 -0.49 115.11 119.77 1s18 h GLN 234 Ca -0.37 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.34 1s18 h GLN 234 Cb 1.16 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.56 1s18 h GLN 234 CO 0.43 0.00 -0.47 -1.83 -0.95 0.00 0.00 178.83 176.02 1s18 s GLU 235 N -3.15 2.92 0.42 1.46 -1.05 -1.26 -3.71 118.70 114.33 1s18 s GLU 235 Ca 0.09 -1.12 -0.24 0.00 -0.15 0.00 0.00 54.97 53.55 1s18 s GLU 235 Cb 0.10 -2.59 -0.11 0.00 -0.44 0.00 0.00 34.13 31.09 1s18 s GLU 235 CO 0.64 0.25 0.90 -2.13 0.95 0.00 0.00 175.26 175.87 1s18 n ARG 236 N -1.33 1.14 -1.88 -4.83 0.63 -1.25 -4.25 116.66 104.89 1s18 n ARG 236 Ca -0.05 0.41 -0.42 0.00 -0.92 0.00 0.00 57.85 56.88 1s18 n ARG 236 Cb 0.59 -1.92 -0.02 0.00 0.45 0.00 0.00 32.46 31.56 1s18 n ARG 236 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 1s18 s TYR 237 N -1.32 2.91 -0.03 -0.14 5.04 -1.26 -4.96 117.35 117.60 1s18 s TYR 237 Ca 0.64 0.79 -0.06 0.00 -2.44 0.00 0.00 57.07 55.99 1s18 s TYR 237 Cb -0.57 -3.97 0.01 0.00 0.35 0.00 0.00 41.96 37.78 1s18 s TYR 237 CO 0.57 -3.34 0.15 -1.54 -1.34 0.00 0.00 175.55 170.04 1s18 s SER 238 N 0.64 -0.07 0.20 4.32 1.04 -1.26 -2.80 113.70 115.77 1s18 s SER 238 Ca 0.64 0.07 -0.11 0.00 0.48 0.00 0.00 55.95 57.04 1s18 s SER 238 Cb -0.45 0.27 0.24 0.00 0.10 0.00 0.00 66.02 66.18 1s18 s SER 238 CO 0.42 -0.20 1.74 -0.08 0.98 0.00 0.00 173.24 176.10 1s18 h GLU 239 N 5.15 0.37 -0.10 4.02 4.81 -1.65 0.30 114.58 127.48 1s18 h GLU 239 Ca -0.28 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.90 1s18 h GLU 239 Cb 1.20 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 1s18 h GLU 239 CO 0.41 0.24 -0.07 1.57 -0.73 0.00 0.00 179.01 180.44 1s18 h LYS 240 N 0.38 0.22 -0.46 1.92 -0.00 -1.98 -3.24 116.57 113.40 1s18 h LYS 240 Ca 0.28 -0.10 -0.07 0.00 -0.00 0.00 0.00 60.65 60.76 1s18 h LYS 240 Cb 0.34 -0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.54 1s18 h LYS 240 CO -0.29 0.60 -0.02 -0.44 -0.00 0.00 0.00 179.45 179.30 1s18 h ASP 241 N -0.17 0.74 -0.06 7.07 3.32 -1.92 -2.38 116.42 123.03 1s18 h ASP 241 Ca 0.02 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 56.90 1s18 h ASP 241 Cb 0.55 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1s18 h ASP 241 CO 0.02 0.82 0.08 -0.78 -1.72 0.00 0.00 179.24 177.66 1s18 h ASP 242 N 0.72 0.00 0.06 6.45 3.58 -0.97 -1.90 116.42 124.36 1s18 h ASP 242 Ca 0.14 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1s18 h ASP 242 Cb 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1s18 h ASP 242 CO 0.02 0.00 0.00 -0.33 -2.88 0.00 0.00 179.24 176.05 1s18 h GLU 243 N 0.00 0.00 -0.23 0.28 5.08 -1.48 -1.63 114.58 116.61 1s18 h GLU 243 Ca 0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1s18 h GLU 243 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1s18 h GLU 243 CO -0.00 0.00 -0.01 0.54 -1.00 0.00 0.00 179.01 178.54 1s18 n ARG 244 N -3.06 2.48 -1.06 2.33 1.74 -0.72 -4.18 116.66 114.19 1s18 n ARG 244 Ca -0.03 -2.85 -0.15 0.00 -0.77 0.00 0.00 57.85 54.05 1s18 n ARG 244 Cb 0.08 -1.78 0.20 0.00 -1.02 0.00 0.00 32.46 29.94 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 -0.76 2.29 -1.61 5.56 4.76 -0.61 -4.67 118.16 123.12 1s18 n LYS 245 Ca 0.22 -3.07 -0.39 0.00 -2.87 0.00 0.00 58.31 52.19 1s18 n LYS 245 Cb 0.87 -2.06 0.03 0.00 -1.84 0.00 0.00 35.03 32.03 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 -1.03 -0.33 3.49 0.72 0.00 0.48 -1.31 105.19 107.22 1s18 n GLY 246 Ca 0.49 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.42 2.69 -0.14 4.61 0.00 -1.23 -4.59 121.76 121.69 1s18 s ALA 247 Ca 0.69 -2.01 0.15 0.00 0.00 0.00 0.00 51.96 50.80 1s18 s ALA 247 Cb -0.48 0.04 0.40 0.00 0.00 0.00 0.00 23.12 23.09 1s18 s ALA 247 CO 0.52 0.03 1.20 0.27 0.00 0.00 0.00 175.76 177.77 1s18 n ASN 248 N -0.70 1.50 -4.80 0.00 6.94 -1.26 -4.72 115.26 112.22 1s18 n ASN 248 Ca -0.05 -3.27 -0.39 0.00 -0.02 0.00 0.00 54.58 50.85 1s18 n ASN 248 Cb 0.63 -0.45 -0.06 0.00 -2.36 0.00 0.00 39.78 37.54 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 -2.21 4.51 -0.17 -4.53 1.43 -1.26 -0.47 118.68 115.97 1s18 s LEU 249 Ca 0.36 1.24 -0.00 0.00 -1.03 0.00 0.00 54.13 54.69 1s18 s LEU 249 Cb 0.36 -2.89 0.00 0.00 0.03 0.00 0.00 46.19 43.69 1s18 s LEU 249 CO -0.09 0.24 -0.15 -0.22 0.23 0.00 0.00 176.35 176.37 1s18 s LEU 250 N -0.94 2.47 -0.09 1.79 2.96 -0.17 -3.97 118.68 120.72 1s18 s LEU 250 Ca 0.29 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 1s18 s LEU 250 Cb -0.19 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 1s18 s LEU 250 CO 0.19 0.05 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.38 1s18 s LEU 251 N 1.01 2.77 -0.10 -0.68 1.43 -0.40 -0.96 118.68 121.75 1s18 s LEU 251 Ca -0.02 -0.24 0.04 0.00 -1.03 0.00 0.00 54.13 52.88 1s18 s LEU 251 Cb -0.15 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.48 1s18 s LEU 251 CO -0.03 0.26 -0.24 -0.55 0.23 0.00 0.00 176.35 176.02 1s18 s SER 252 N -0.20 3.06 -0.02 2.29 0.15 -0.11 -0.93 113.70 117.95 1s18 s SER 252 Ca 0.00 -0.55 0.07 0.00 0.70 0.00 0.00 55.95 56.17 1s18 s SER 252 Cb -0.13 -1.40 -0.02 0.00 -1.71 0.00 0.00 66.02 62.76 1s18 s SER 252 CO 0.03 0.16 -0.21 0.00 1.20 0.00 0.00 173.24 174.41 1s18 s ALA 253 N 0.35 1.77 0.92 5.45 0.00 0.12 -0.53 121.76 129.83 1s18 s ALA 253 Ca -0.19 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 50.75 1s18 s ALA 253 Cb -0.18 -0.45 0.14 0.00 0.00 0.00 0.00 23.12 22.64 1s18 s ALA 253 CO 0.09 0.43 1.12 -1.54 0.00 0.00 0.00 175.76 175.86 1s18 s SER 254 N -0.51 3.00 0.53 0.00 1.04 0.46 -0.94 113.70 117.28 1s18 s SER 254 Ca 0.08 2.01 0.23 0.00 0.48 0.00 0.00 55.95 58.75 1s18 s SER 254 Cb -0.08 -2.51 1.36 0.00 0.10 0.00 0.00 66.02 64.89 1s18 s SER 254 CO -0.01 -3.02 2.04 -0.65 0.98 0.00 0.00 173.24 172.58 1s18 h PRO 255 N -1.81 0.00 -0.74 4.02 0.11 -1.91 0.99 132.00 132.67 1s18 h PRO 255 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1s18 h PRO 255 Cb 1.27 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1s18 h PRO 255 CO 0.45 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.84 1s18 n ASP 256 N -4.43 3.97 -0.65 -2.05 5.68 -1.26 -4.95 116.55 112.86 1s18 n ASP 256 Ca 0.06 -2.00 -0.08 0.00 -0.50 0.00 0.00 54.79 52.26 1s18 n ASP 256 Cb 0.46 -0.49 -0.04 0.00 -1.14 0.00 0.00 41.12 39.91 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 1.65 0.00 0.16 2.11 3.72 0.34 -4.85 117.46 120.59 1s18 n PHE 257 Ca 0.25 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.69 1s18 n PHE 257 Cb 0.62 -2.31 0.19 0.00 -0.94 0.00 0.00 39.48 37.03 1s18 n PHE 257 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1s18 h GLY 258 N 0.00 0.00 -6.97 1.37 0.00 -1.93 -3.43 103.07 92.11 1s18 h GLY 258 Ca -0.17 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.58 1s18 h GLY 258 CO 0.25 0.00 -0.80 -0.35 0.00 0.00 0.00 176.54 175.64 1s18 s ASP 259 N -6.43 3.02 -0.07 0.19 2.15 -1.26 -5.03 116.67 109.24 1s18 s ASP 259 Ca 0.02 -0.73 0.02 0.00 0.43 0.00 0.00 52.55 52.30 1s18 s ASP 259 Cb 0.09 -1.06 0.01 0.00 -0.30 0.00 0.00 42.92 41.66 1s18 s ASP 259 CO 0.71 -0.16 -0.14 -0.63 -0.17 0.00 0.00 175.17 174.79 1s18 s ILE 260 N 1.53 1.25 -0.01 4.11 1.01 -1.26 -0.40 121.20 127.42 1s18 s ILE 260 Ca 0.00 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.14 1s18 s ILE 260 Cb -0.15 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 1s18 s ILE 260 CO -0.08 0.38 -0.08 0.00 0.00 0.00 0.00 174.94 175.16 1s18 s ALA 261 N 0.65 2.97 -0.04 9.38 0.00 0.31 -4.97 121.76 130.06 1s18 s ALA 261 Ca -0.15 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 50.84 1s18 s ALA 261 Cb -0.16 -1.12 0.01 0.00 0.00 0.00 0.00 23.12 21.85 1s18 s ALA 261 CO 0.04 0.60 -0.12 0.08 0.00 0.00 0.00 175.76 176.36 1s18 s VAL 262 N -0.94 1.06 0.31 0.00 1.01 -1.26 -0.93 120.40 119.65 1s18 s VAL 262 Ca 0.16 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.69 1s18 s VAL 262 Cb -0.11 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 1s18 s VAL 262 CO 0.06 0.32 0.31 -0.94 0.00 0.00 0.00 175.10 174.85 1s18 s SER 263 N 0.32 1.26 0.02 3.32 1.04 -0.13 -5.00 113.70 114.53 1s18 s SER 263 Ca -0.07 -1.63 0.09 0.00 0.48 0.00 0.00 55.95 54.81 1s18 s SER 263 Cb -0.12 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 1s18 s SER 263 CO 0.02 -1.09 -0.25 -1.00 0.98 0.00 0.00 173.24 171.90 1s18 s HIS 264 N -3.46 2.36 -0.18 5.02 3.76 -1.26 -1.00 115.29 120.53 1s18 s HIS 264 Ca 0.38 -0.40 -0.00 0.00 -0.15 0.00 0.00 55.06 54.89 1s18 s HIS 264 Cb 0.02 -1.44 0.04 0.00 1.11 0.00 0.00 32.58 32.32 1s18 s HIS 264 CO 0.24 0.10 -0.07 0.14 -0.85 0.00 0.00 174.74 174.29 1s18 s VAL 265 N -0.76 1.29 0.00 -0.90 -7.23 0.38 -4.62 120.40 108.55 1s18 s VAL 265 Ca 0.12 -0.78 0.00 0.00 -1.81 0.00 0.00 61.98 59.51 1s18 s VAL 265 Cb -0.10 -1.44 0.00 0.00 0.56 0.00 0.00 36.38 35.40 1s18 s VAL 265 CO 0.01 0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 1s18 n GLY 266 N 4.81 -1.11 3.90 2.32 0.00 -1.26 -4.73 105.19 109.11 1s18 n GLY 266 Ca -0.13 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.59 3.44 -0.21 4.61 0.00 -1.26 -4.91 121.76 121.83 1s18 s ALA 267 Ca 0.00 -0.50 -0.29 0.00 0.00 0.00 0.00 51.96 51.17 1s18 s ALA 267 Cb 0.00 -2.54 -0.02 0.00 0.00 0.00 0.00 23.12 20.56 1s18 s ALA 267 CO 0.00 -0.21 1.55 0.08 0.00 0.00 0.00 175.76 177.18 1s18 s VAL 268 N -2.58 3.79 -0.45 0.00 1.01 -1.26 -4.66 120.40 116.25 1s18 s VAL 268 Ca 0.47 0.91 -0.04 0.00 0.00 0.00 0.00 61.98 63.32 1s18 s VAL 268 Cb -0.10 -3.77 0.12 0.00 0.00 0.00 0.00 36.38 32.62 1s18 s VAL 268 CO 0.40 -0.29 0.26 -0.69 0.00 0.00 0.00 175.10 174.78 1s18 s VAL 269 N 4.86 3.47 0.28 2.92 1.01 -1.26 -5.02 120.40 126.66 1s18 s VAL 269 Ca 0.68 -2.17 0.02 0.00 0.00 0.00 0.00 61.98 60.50 1s18 s VAL 269 Cb -0.24 -3.35 0.27 0.00 0.00 0.00 0.00 36.38 33.06 1s18 s VAL 269 CO 0.27 -0.73 1.72 -0.65 0.00 0.00 0.00 175.10 175.71 1s18 h PRO 270 N 7.93 0.46 -0.14 2.72 0.11 -1.84 -0.90 132.00 140.34 1s18 h PRO 270 Ca -0.12 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1s18 h PRO 270 Cb 1.03 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1s18 h PRO 270 CO 0.72 0.30 0.00 0.25 -0.21 0.00 0.00 178.00 179.06 1s18 n THR 271 N -4.99 0.17 -4.32 -1.15 -2.24 -1.26 -0.39 114.28 100.11 1s18 n THR 271 Ca 0.20 -0.36 -0.34 0.00 -2.27 0.00 0.00 64.05 61.28 1s18 n THR 271 Cb 0.57 0.49 -0.13 0.00 -2.10 0.00 0.00 70.33 69.15 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 -1.83 2.95 -0.01 4.78 3.76 -0.34 -4.02 115.29 120.58 1s18 s HIS 272 Ca 0.34 -0.60 0.03 0.00 -0.15 0.00 0.00 55.06 54.68 1s18 s HIS 272 Cb 0.19 -1.99 -0.01 0.00 1.11 0.00 0.00 32.58 31.89 1s18 s HIS 272 CO 0.29 -0.26 -0.11 0.20 -0.85 0.00 0.00 174.74 174.01 1s18 s GLY 273 N 0.77 0.54 0.30 -2.22 0.00 -0.31 -4.13 107.32 102.26 1s18 s GLY 273 Ca -0.02 -0.44 -0.30 0.00 0.00 0.00 0.00 44.72 43.95 1s18 s GLY 273 CO 0.02 -0.33 1.60 -1.36 0.00 0.00 0.00 173.10 173.03 1s18 s PHE 274 N -0.16 2.73 -0.02 1.90 0.08 -1.26 -0.79 117.98 120.45 1s18 s PHE 274 Ca 0.03 0.77 0.03 0.00 0.12 0.00 0.00 56.93 57.87 1s18 s PHE 274 Cb -0.05 -4.09 -0.04 0.00 -0.57 0.00 0.00 43.02 38.27 1s18 s PHE 274 CO -0.00 -3.65 0.06 -1.13 -0.10 0.00 0.00 175.22 170.40 1s18 n SER 275 N 2.11 3.77 -3.57 1.36 3.41 -0.07 -3.70 113.62 116.94 1s18 n SER 275 Ca 0.08 -0.08 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 1s18 n SER 275 Cb 0.37 1.10 -0.03 0.00 -0.26 0.00 0.00 64.21 65.39 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 -2.13 -0.28 0.13 4.04 0.15 -1.24 -4.48 113.70 109.89 1s18 s SER 276 Ca -0.01 0.17 -0.24 0.00 0.70 0.00 0.00 55.95 56.57 1s18 s SER 276 Cb 0.02 0.26 0.07 0.00 -1.71 0.00 0.00 66.02 64.66 1s18 s SER 276 CO 0.10 -0.36 0.63 0.72 1.20 0.00 0.00 173.24 175.53 1s18 s PHE 277 N -1.92 -0.54 0.01 3.44 -0.12 -1.26 -0.93 117.98 116.66 1s18 s PHE 277 Ca 0.04 0.40 -0.08 0.00 -0.05 0.00 0.00 56.93 57.24 1s18 s PHE 277 Cb -0.01 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 42.93 1s18 s PHE 277 CO -0.04 -0.80 0.16 0.15 -0.05 0.00 0.00 175.22 174.64 1s18 s LYS 278 N -3.45 0.54 0.35 1.99 -0.14 -0.60 -4.85 119.74 113.58 1s18 s LYS 278 Ca 0.00 -0.44 -0.27 0.00 -1.36 0.00 0.00 55.97 53.91 1s18 s LYS 278 Cb -0.01 0.22 -0.09 0.00 -1.68 0.00 0.00 37.83 36.27 1s18 s LYS 278 CO -0.10 -0.13 1.10 -0.06 -0.76 0.00 0.00 175.35 175.39 1s18 s PHE 279 N -1.62 3.34 0.04 3.18 0.08 -1.26 -1.30 117.98 120.43 1s18 s PHE 279 Ca -0.13 1.64 -0.30 0.00 0.12 0.00 0.00 56.93 58.26 1s18 s PHE 279 Cb -0.06 -3.27 -0.06 0.00 -0.57 0.00 0.00 43.02 39.07 1s18 s PHE 279 CO 0.01 -0.79 1.31 0.42 -0.10 0.00 0.00 175.22 176.07 1s18 s ILE 280 N -1.39 3.80 0.70 0.64 1.01 -0.18 -4.86 121.20 120.92 1s18 s ILE 280 Ca 0.52 1.24 -0.16 0.00 0.00 0.00 0.00 60.65 62.25 1s18 s ILE 280 Cb -0.28 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.39 1s18 s ILE 280 CO 0.36 0.05 1.00 -2.65 0.00 0.00 0.00 174.94 173.70 1s18 n PRO 281 N 4.61 0.60 -3.12 2.79 -0.02 -1.26 -3.34 135.00 135.26 1s18 n PRO 281 Ca 0.11 0.26 -0.23 0.00 -2.02 0.00 0.00 63.50 61.62 1s18 n PRO 281 Cb 0.45 -2.25 0.04 0.00 -0.02 0.00 0.00 33.50 31.71 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 -1.63 -5.95 -0.11 2.55 3.02 -1.26 -4.86 115.26 107.01 1s18 n ASN 282 Ca 0.13 -0.33 0.04 0.00 -0.03 0.00 0.00 54.58 54.39 1s18 n ASN 282 Cb 0.49 -4.80 0.05 0.00 -0.61 0.00 0.00 39.78 34.92 1s18 n ASN 282 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1s18 n THR 283 N -4.53 1.05 -2.86 3.41 -2.24 -1.21 -4.97 114.28 102.93 1s18 n THR 283 Ca -0.09 -1.20 -0.22 0.00 -2.27 0.00 0.00 64.05 60.28 1s18 n THR 283 Cb 0.61 0.28 0.02 0.00 -2.10 0.00 0.00 70.33 69.13 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 -0.72 -5.84 -3.89 3.42 8.00 -1.26 -1.60 116.55 114.66 1s18 n ASP 284 Ca 0.06 -0.20 -0.30 0.00 0.71 0.00 0.00 54.79 55.06 1s18 n ASP 284 Cb 0.51 -4.77 0.03 0.00 -0.02 0.00 0.00 41.12 36.87 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 -2.35 -4.85 -0.00 -2.24 8.00 -1.26 -4.88 116.55 108.96 1s18 n ASP 285 Ca -0.14 -0.76 0.09 0.00 0.71 0.00 0.00 54.79 54.68 1s18 n ASP 285 Cb 0.63 -3.87 -0.11 0.00 -0.02 0.00 0.00 41.12 37.75 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 -4.66 1.01 -4.90 -1.24 1.13 -0.63 -4.89 117.38 103.20 1s18 n GLN 286 Ca 0.04 -0.04 -0.26 0.00 -1.94 0.00 0.00 57.00 54.80 1s18 n GLN 286 Cb 0.52 -1.36 -0.16 0.00 0.11 0.00 0.00 30.24 29.36 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 -2.82 1.48 -0.02 5.09 1.01 -1.26 -1.70 121.20 122.97 1s18 s ILE 287 Ca 0.03 -0.79 0.08 0.00 0.00 0.00 0.00 60.65 59.97 1s18 s ILE 287 Cb 0.13 -1.23 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 1s18 s ILE 287 CO 0.73 0.42 -0.25 -0.63 0.00 0.00 0.00 174.94 175.21 1s18 s ILE 288 N -0.39 2.01 -0.14 2.92 1.01 0.44 -1.01 121.20 126.05 1s18 s ILE 288 Ca 0.06 -1.08 -0.04 0.00 0.00 0.00 0.00 60.65 59.59 1s18 s ILE 288 Cb -0.08 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 1s18 s ILE 288 CO -0.00 0.57 0.00 0.54 0.00 0.00 0.00 174.94 176.04 1s18 s VAL 289 N -0.57 4.27 0.03 2.92 0.11 -0.42 -0.72 120.40 126.01 1s18 s VAL 289 Ca 0.09 -0.24 0.01 0.00 -2.93 0.00 0.00 61.98 58.92 1s18 s VAL 289 Cb -0.10 -2.86 -0.02 0.00 -1.53 0.00 0.00 36.38 31.87 1s18 s VAL 289 CO -0.01 0.52 -0.06 0.00 -3.33 0.00 0.00 175.10 172.23 1s18 s ALA 290 N -0.06 0.37 -0.01 1.54 0.00 -0.24 -1.55 121.76 121.81 1s18 s ALA 290 Ca 0.04 -0.63 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 1s18 s ALA 290 Cb -0.13 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1s18 s ALA 290 CO 0.02 -0.06 0.07 -0.51 0.00 0.00 0.00 175.76 175.28 1s18 s LEU 291 N -1.36 3.87 0.04 0.00 1.43 -0.11 -1.42 118.68 121.13 1s18 s LEU 291 Ca -0.11 0.14 0.08 0.00 -1.03 0.00 0.00 54.13 53.21 1s18 s LEU 291 Cb -0.09 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.86 1s18 s LEU 291 CO -0.00 0.28 -0.21 -0.54 0.23 0.00 0.00 176.35 176.10 1s18 s LYS 292 N -1.69 1.99 0.19 1.70 1.02 -0.24 -0.89 119.74 121.82 1s18 s LYS 292 Ca 0.22 -1.02 0.09 0.00 0.02 0.00 0.00 55.97 55.28 1s18 s LYS 292 Cb -0.12 -2.11 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 1s18 s LYS 292 CO 0.13 0.53 -0.06 -1.54 -0.92 0.00 0.00 175.35 173.49 1s18 s SER 293 N -1.30 4.41 -0.05 2.83 1.04 0.03 -0.48 113.70 120.18 1s18 s SER 293 Ca 0.13 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 56.04 1s18 s SER 293 Cb -0.10 -0.81 0.02 0.00 0.10 0.00 0.00 66.02 65.22 1s18 s SER 293 CO 0.04 0.09 -0.08 -0.70 0.98 0.00 0.00 173.24 173.57 1s18 s GLU 294 N -2.95 1.15 -0.21 4.02 2.12 0.23 -1.16 118.70 121.90 1s18 s GLU 294 Ca 0.26 -0.25 -0.01 0.00 0.36 0.00 0.00 54.97 55.34 1s18 s GLU 294 Cb -0.09 -1.04 0.06 0.00 0.26 0.00 0.00 34.13 33.32 1s18 s GLU 294 CO 0.17 -0.01 -0.03 -1.21 -0.54 0.00 0.00 175.26 173.64 1s18 s GLU 295 N 0.69 1.30 -0.26 4.30 2.02 -1.25 -2.04 118.70 123.46 1s18 s GLU 295 Ca -0.11 -0.75 -0.03 0.00 0.02 0.00 0.00 54.97 54.09 1s18 s GLU 295 Cb -0.14 -2.36 0.09 0.00 0.10 0.00 0.00 34.13 31.82 1s18 s GLU 295 CO 0.02 -0.59 0.10 0.34 0.02 0.00 0.00 175.26 175.15 1s18 s ASP 296 N 1.57 3.39 -1.57 -0.19 2.15 -0.12 -4.83 116.67 117.07 1s18 s ASP 296 Ca -0.03 -1.21 -0.02 0.00 0.43 0.00 0.00 52.55 51.72 1s18 s ASP 296 Cb -0.18 -0.50 0.01 0.00 -0.30 0.00 0.00 42.92 41.95 1s18 s ASP 296 CO -0.07 -0.40 0.25 -1.20 -0.17 0.00 0.00 175.17 173.58 1s18 n SER 297 N 5.13 -5.57 0.00 -0.34 7.64 -1.26 -1.34 113.62 117.88 1s18 n SER 297 Ca -0.06 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1s18 n SER 297 Cb 0.44 -4.59 0.00 0.00 -1.01 0.00 0.00 64.21 59.05 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 -1.18 2.53 3.76 0.23 0.00 -1.26 -5.06 105.19 104.21 1s18 n GLY 298 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1s18 n GLY 298 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s18 s ARG 299 N -0.97 4.66 0.00 1.61 3.52 -0.45 -5.06 118.95 122.27 1s18 s ARG 299 Ca 0.00 1.56 0.04 0.00 -0.13 0.00 0.00 55.73 57.19 1s18 s ARG 299 Cb 0.00 -3.08 -0.01 0.00 -1.56 0.00 0.00 34.95 30.30 1s18 s ARG 299 CO 0.00 0.31 -0.11 0.08 -0.81 0.00 0.00 175.30 174.77 1s18 s VAL 300 N -1.31 0.88 0.18 7.11 1.01 -1.26 -0.94 120.40 126.06 1s18 s VAL 300 Ca 0.46 -0.58 -0.23 0.00 0.00 0.00 0.00 61.98 61.63 1s18 s VAL 300 Cb -0.26 -0.76 0.06 0.00 0.00 0.00 0.00 36.38 35.43 1s18 s VAL 300 CO 0.33 0.17 0.61 0.00 0.00 0.00 0.00 175.10 176.21 1s18 s ALA 301 N -0.41 -1.53 0.07 5.51 0.00 -0.86 -4.22 121.76 120.32 1s18 s ALA 301 Ca 0.03 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.38 1s18 s ALA 301 Cb -0.05 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 1s18 s ALA 301 CO -0.00 -0.80 -0.08 -1.12 0.00 0.00 0.00 175.76 173.75 1s18 s SER 302 N -2.78 1.11 0.05 0.00 0.01 -0.53 -0.60 113.70 110.97 1s18 s SER 302 Ca 0.02 -0.73 0.02 0.00 1.31 0.00 0.00 55.95 56.57 1s18 s SER 302 Cb -0.02 0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.23 1s18 s SER 302 CO -0.10 -0.28 -0.07 -0.31 0.41 0.00 0.00 173.24 172.89 1s18 s TYR 303 N -2.21 0.71 0.19 2.43 2.02 0.37 -0.45 117.35 120.40 1s18 s TYR 303 Ca -0.00 -0.61 0.11 0.00 -0.37 0.00 0.00 57.07 56.19 1s18 s TYR 303 Cb -0.04 -0.42 -0.04 0.00 -0.40 0.00 0.00 41.96 41.05 1s18 s TYR 303 CO -0.01 -0.11 -0.22 -1.50 -1.57 0.00 0.00 175.55 172.14 1s18 s ILE 304 N -1.97 2.49 0.29 2.71 2.07 -0.13 -1.08 121.20 125.57 1s18 s ILE 304 Ca -0.05 -1.96 -0.20 0.00 -1.41 0.00 0.00 60.65 57.03 1s18 s ILE 304 Cb -0.06 -2.20 0.02 0.00 0.13 0.00 0.00 42.46 40.36 1s18 s ILE 304 CO -0.01 -0.11 0.73 0.00 -1.91 0.00 0.00 174.94 173.64 1s18 s MET 305 N -2.68 1.84 -0.06 3.50 0.23 -0.51 -0.69 119.30 120.93 1s18 s MET 305 Ca 0.21 -1.04 -0.10 0.00 -1.03 0.00 0.00 55.69 53.73 1s18 s MET 305 Cb -0.08 0.61 0.02 0.00 -1.53 0.00 0.00 34.83 33.85 1s18 s MET 305 CO 0.11 -0.84 0.25 0.00 -2.03 0.00 0.00 175.02 172.50 1s18 s ALA 306 N -3.74 -0.62 0.09 3.16 0.00 -0.52 -1.08 121.76 119.04 1s18 s ALA 306 Ca 0.12 0.51 -0.23 0.00 0.00 0.00 0.00 51.96 52.36 1s18 s ALA 306 Cb -0.06 -0.24 0.06 0.00 0.00 0.00 0.00 23.12 22.88 1s18 s ALA 306 CO 0.07 -0.17 0.55 -0.59 0.00 0.00 0.00 175.76 175.63 1s18 s PHE 307 N -0.41 -0.46 0.79 0.00 -0.12 0.10 -0.33 117.98 117.55 1s18 s PHE 307 Ca -0.05 0.42 -0.11 0.00 -0.05 0.00 0.00 56.93 57.13 1s18 s PHE 307 Cb -0.03 0.42 0.07 0.00 -0.63 0.00 0.00 43.02 42.84 1s18 s PHE 307 CO 0.01 -0.72 1.10 0.95 -0.05 0.00 0.00 175.22 176.51 1s18 s THR 308 N -2.94 3.11 0.49 -4.49 -4.23 -0.08 -0.42 115.64 107.08 1s18 s THR 308 Ca -0.03 0.36 0.23 0.00 -1.18 0.00 0.00 61.69 61.07 1s18 s THR 308 Cb -0.00 -3.11 0.40 0.00 1.34 0.00 0.00 72.50 71.12 1s18 s THR 308 CO -0.06 -0.47 1.95 -0.07 -0.54 0.00 0.00 174.62 175.43 1s18 h LEU 309 N -1.07 0.14 -0.62 4.79 3.38 -1.67 0.14 115.31 120.40 1s18 h LEU 309 Ca -0.47 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1s18 h LEU 309 Cb 1.27 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1s18 h LEU 309 CO 0.59 0.07 0.00 -0.90 0.09 0.00 0.00 178.44 178.29 1s18 n ASP 310 N -4.40 0.93 0.00 -0.43 5.68 -1.26 -4.91 116.55 112.16 1s18 n ASP 310 Ca 0.13 -1.59 0.00 0.00 -0.50 0.00 0.00 54.79 52.83 1s18 n ASP 310 Cb 0.64 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 1s18 n ASP 310 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s18 n GLY 311 N 0.98 0.68 3.66 6.12 0.00 0.48 -4.99 105.19 112.13 1s18 n GLY 311 Ca 0.15 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.93 4.26 0.03 1.61 3.52 -1.25 -4.42 118.95 121.77 1s18 s ARG 312 Ca 0.00 0.91 -0.28 0.00 -0.13 0.00 0.00 55.73 56.23 1s18 s ARG 312 Cb 0.00 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.76 1s18 s ARG 312 CO 0.00 -0.33 0.87 -0.06 -0.81 0.00 0.00 175.30 174.97 1s18 s PHE 313 N 2.17 3.70 -0.21 5.12 0.08 -1.26 -0.91 117.98 126.68 1s18 s PHE 313 Ca 0.35 1.59 0.15 0.00 0.12 0.00 0.00 56.93 59.14 1s18 s PHE 313 Cb -0.16 -2.97 -0.21 0.00 -0.57 0.00 0.00 43.02 39.10 1s18 s PHE 313 CO 0.11 0.14 0.41 1.28 -0.10 0.00 0.00 175.22 177.06 1s18 n LEU 314 N 3.31 0.20 -3.59 -0.37 4.77 0.56 -4.85 117.00 117.02 1s18 n LEU 314 Ca 0.02 -0.14 -0.19 0.00 -0.03 0.00 0.00 56.01 55.67 1s18 n LEU 314 Cb 0.50 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.45 1s18 n LEU 314 CO 0.50 0.05 -0.24 -0.22 -1.33 0.00 0.00 177.39 176.15 1s18 s LEU 315 N -3.67 -0.02 0.84 2.23 2.96 -1.07 -1.76 118.68 118.19 1s18 s LEU 315 Ca -0.02 -0.04 -0.11 0.00 -0.22 0.00 0.00 54.13 53.74 1s18 s LEU 315 Cb 0.10 0.23 0.10 0.00 0.50 0.00 0.00 46.19 47.12 1s18 s LEU 315 CO 0.62 -0.29 1.09 -2.16 -1.32 0.00 0.00 176.35 174.29 1s18 s PRO 316 N 2.28 1.71 -0.12 0.98 0.04 -1.26 -1.44 135.00 137.19 1s18 s PRO 316 Ca 0.04 0.98 -0.38 0.00 0.04 0.00 0.00 61.00 61.68 1s18 s PRO 316 Cb -0.14 -1.85 -0.15 0.00 0.04 0.00 0.00 34.50 32.40 1s18 s PRO 316 CO -0.09 -1.97 1.65 -1.91 0.04 0.00 0.00 177.00 174.73 1s18 n GLU 317 N -3.72 1.41 -4.16 4.56 2.13 -1.26 -4.56 120.64 115.04 1s18 n GLU 317 Ca 0.08 0.51 -0.22 0.00 0.66 0.00 0.00 57.16 58.19 1s18 n GLU 317 Cb 0.54 -2.22 -0.17 0.00 0.27 0.00 0.00 31.44 29.87 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 2.65 0.68 0.31 6.31 2.01 0.14 -4.95 115.64 122.81 1s18 s THR 318 Ca 0.92 -0.17 -0.29 0.00 0.31 0.00 0.00 61.69 62.46 1s18 s THR 318 Cb -0.95 -0.70 -0.11 0.00 0.01 0.00 0.00 72.50 70.75 1s18 s THR 318 CO 0.56 0.27 1.55 -0.75 -0.69 0.00 0.00 174.62 175.56 1s18 s LYS 319 N 1.11 4.13 0.00 4.92 2.20 -1.26 -0.95 119.74 129.89 1s18 s LYS 319 Ca -0.08 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.08 1s18 s LYS 319 Cb -0.14 -3.01 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 1s18 s LYS 319 CO -0.01 -0.58 0.07 0.44 -0.36 0.00 0.00 175.35 174.91 1s18 n ILE 320 N 1.66 0.00 0.00 5.43 -5.35 0.40 -4.86 119.36 116.64 1s18 n ILE 320 Ca 0.06 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 1s18 n ILE 320 Cb 0.38 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.29 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 0.83 0.78 1.97 3.28 0.00 -1.21 -4.99 105.19 105.85 1s18 n GLY 321 Ca 0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 4.49 -4.23 1.61 7.64 -1.26 -1.45 113.62 120.42 1s18 n SER 322 Ca 0.00 -3.72 -0.14 0.00 1.01 0.00 0.00 58.87 56.03 1s18 n SER 322 Cb 0.00 -0.78 -0.10 0.00 -1.01 0.00 0.00 64.21 62.32 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 -3.78 0.18 -0.31 0.44 -7.23 -1.26 -4.56 120.40 103.88 1s18 s VAL 323 Ca 0.55 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.49 1s18 s VAL 323 Cb 0.46 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.86 1s18 s VAL 323 CO 0.04 0.00 0.80 -0.54 -0.31 0.00 0.00 175.10 175.10 1s18 s LYS 324 N -4.11 3.96 -0.23 4.82 1.02 -1.26 -3.19 119.74 120.74 1s18 s LYS 324 Ca 0.39 0.60 -0.11 0.00 0.02 0.00 0.00 55.97 56.86 1s18 s LYS 324 Cb 0.07 -3.73 -0.05 0.00 -0.52 0.00 0.00 37.83 33.60 1s18 s LYS 324 CO 0.13 -0.70 0.20 0.71 -0.92 0.00 0.00 175.35 174.77 1s18 s TYR 325 N 3.00 3.33 0.00 3.18 2.02 -1.26 -0.73 117.35 126.89 1s18 s TYR 325 Ca 0.33 0.30 0.00 0.00 -0.37 0.00 0.00 57.07 57.32 1s18 s TYR 325 Cb -0.14 -2.31 0.00 0.00 -0.40 0.00 0.00 41.96 39.11 1s18 s TYR 325 CO 0.13 0.06 0.62 0.39 -1.57 0.00 0.00 175.55 175.18 1s18 n GLU 326 N 4.30 0.01 -3.77 -0.62 1.02 -0.51 -4.70 120.64 116.38 1s18 n GLU 326 Ca -0.14 -0.75 -0.13 0.00 -0.02 0.00 0.00 57.16 56.13 1s18 n GLU 326 Cb 0.52 -0.99 -0.11 0.00 -0.02 0.00 0.00 31.44 30.83 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 -0.25 -0.23 0.04 0.62 0.00 -1.22 -3.87 107.32 102.40 1s18 s GLY 327 Ca 0.00 0.87 0.06 0.00 0.00 0.00 0.00 44.72 45.65 1s18 s GLY 327 CO 0.00 0.76 -0.18 -1.50 0.00 0.00 0.00 173.10 172.18 1s18 s ILE 328 N 0.19 1.44 0.03 0.90 2.07 -1.26 -1.50 121.20 123.07 1s18 s ILE 328 Ca -0.00 -1.09 -0.22 0.00 -1.41 0.00 0.00 60.65 57.92 1s18 s ILE 328 Cb -0.02 -1.26 0.05 0.00 0.13 0.00 0.00 42.46 41.35 1s18 s ILE 328 CO 0.00 0.14 0.50 -0.70 -1.91 0.00 0.00 174.94 172.98 1s18 s GLU 329 N -1.11 0.99 -0.54 3.50 2.56 -0.72 -4.69 118.70 118.69 1s18 s GLU 329 Ca 0.05 -0.19 -0.25 0.00 0.00 0.00 0.00 54.97 54.59 1s18 s GLU 329 Cb -0.08 0.45 0.04 0.00 2.00 0.00 0.00 34.13 36.54 1s18 s GLU 329 CO 0.01 -0.34 0.96 -0.06 -0.56 0.00 0.00 175.26 175.28 1s18 s PHE 330 N -2.18 2.79 -2.99 5.30 0.08 -1.26 -1.67 117.98 118.06 1s18 s PHE 330 Ca -0.07 0.09 0.24 0.00 0.12 0.00 0.00 56.93 57.31 1s18 s PHE 330 Cb -0.01 -4.10 0.21 0.00 -0.57 0.00 0.00 43.02 38.55 1s18 s PHE 330 CO 0.00 -1.34 1.27 0.44 -0.10 0.00 0.00 175.22 175.50