#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m3i s THR 12 N 0.00 2.32 0.12 3.41 2.01 -1.26 -5.00 115.64 117.24 3m3i s THR 12 Ca 0.00 -1.80 -0.19 0.00 0.31 0.00 0.00 61.69 60.01 3m3i s THR 12 Cb 0.00 -2.97 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 3m3i s THR 12 CO 0.00 -0.04 1.73 0.00 -0.69 0.00 0.00 174.62 175.62 3m3i h ALA 13 N 1.56 0.32 -0.23 7.40 0.00 -1.87 -3.07 119.26 123.37 3m3i h ALA 13 Ca -0.43 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.46 3m3i h ALA 13 Cb 1.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3m3i h ALA 13 CO 0.72 -0.16 0.16 0.93 0.00 0.00 0.00 179.25 180.90 3m3i h GLU 14 N 0.30 0.13 -0.29 0.00 5.08 -1.98 0.01 114.58 117.84 3m3i h GLU 14 Ca 0.09 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3m3i h GLU 14 Cb 0.04 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3m3i h GLU 14 CO -0.02 0.09 0.08 0.35 -1.00 0.00 0.00 179.01 178.52 3m3i h PHE 15 N 0.14 0.48 -0.05 4.33 3.04 -1.94 -1.40 116.94 121.55 3m3i h PHE 15 Ca 0.10 -0.05 -0.18 0.00 3.98 0.00 0.00 57.97 61.82 3m3i h PHE 15 Cb 0.23 -0.14 0.01 0.00 2.56 0.00 0.00 35.95 38.62 3m3i h PHE 15 CO -0.00 0.51 -0.66 -1.49 -2.02 0.00 0.00 178.31 174.65 3m3i h TRP 16 N 0.31 0.76 -0.62 0.41 4.06 -1.44 -1.55 115.95 117.88 3m3i h TRP 16 Ca 0.09 -0.38 0.06 0.00 2.06 0.00 0.00 58.89 60.73 3m3i h TRP 16 Cb 0.26 -0.10 -0.06 0.00 -1.00 0.00 0.00 29.16 28.26 3m3i h TRP 16 CO 0.01 1.19 0.32 0.82 -3.56 0.00 0.00 178.44 177.21 3m3i h ILE 17 N 0.12 0.92 -0.22 1.49 2.04 -0.99 -0.24 117.51 120.63 3m3i h ILE 17 Ca -0.07 -0.20 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 3m3i h ILE 17 Cb 1.33 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3m3i h ILE 17 CO 0.13 0.11 -0.21 0.50 0.00 0.00 0.00 178.15 178.68 3m3i h LYS 18 N 0.58 0.53 0.00 2.37 3.64 -1.26 -1.13 116.57 121.29 3m3i h LYS 18 Ca 0.28 -0.28 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 3m3i h LYS 18 Cb 0.22 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 3m3i h LYS 18 CO -0.20 0.86 -0.94 0.00 -2.27 0.00 0.00 179.45 176.89 3m3i h ARG 19 N 0.21 0.00 -0.14 1.90 3.08 -0.94 -2.89 114.38 115.61 3m3i h ARG 19 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3m3i h ARG 19 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 3m3i h ARG 19 CO 0.05 0.77 0.00 1.28 -1.07 0.00 0.00 179.97 181.00 3m3i n LEU 20 N -3.26 2.50 -3.80 3.04 4.77 -0.13 -4.99 117.00 115.13 3m3i n LEU 20 Ca -0.01 -0.94 -0.28 0.00 -0.03 0.00 0.00 56.01 54.75 3m3i n LEU 20 Cb 0.89 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.94 3m3i n LEU 20 CO 0.45 0.47 0.16 0.00 -1.33 0.00 0.00 177.39 177.14 3m3i n GLN 21 N 0.91 -6.44 -1.86 3.23 6.02 -0.66 -4.91 117.38 113.67 3m3i n GLN 21 Ca 0.17 0.68 -0.33 0.00 -0.01 0.00 0.00 57.00 57.51 3m3i n GLN 21 Cb 0.49 -5.64 0.04 0.00 1.02 0.00 0.00 30.24 26.15 3m3i n GLN 21 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3m3i s LEU 22 N -7.30 3.45 0.28 1.08 1.43 -0.52 -4.87 118.68 112.23 3m3i s LEU 22 Ca 0.64 2.01 0.04 0.00 -1.03 0.00 0.00 54.13 55.79 3m3i s LEU 22 Cb -0.31 -4.55 -0.06 0.00 0.03 0.00 0.00 46.19 41.30 3m3i s LEU 22 CO 0.79 -1.52 0.01 0.68 0.23 0.00 0.00 176.35 176.54 3m3i s VAL 23 N -2.27 1.22 0.10 -1.59 -7.23 0.77 -4.83 120.40 106.57 3m3i s VAL 23 Ca 0.67 -2.04 -0.31 0.00 -1.81 0.00 0.00 61.98 58.49 3m3i s VAL 23 Cb -0.21 -2.55 -0.08 0.00 0.56 0.00 0.00 36.38 34.10 3m3i s VAL 23 CO 0.39 -0.19 1.55 -2.84 -0.31 0.00 0.00 175.10 173.70 3m3i s PRO 24 N -3.85 4.23 0.13 4.82 0.02 -1.26 -0.22 135.00 138.88 3m3i s PRO 24 Ca 0.32 2.25 -0.24 0.00 0.02 0.00 0.00 61.00 63.36 3m3i s PRO 24 Cb 0.06 -3.39 -0.07 0.00 0.02 0.00 0.00 34.50 31.12 3m3i s PRO 24 CO 0.12 -0.62 0.72 -1.58 -0.33 0.00 0.00 177.00 175.31 3m3i s HIS 25 N 1.84 3.87 0.18 6.54 2.46 -0.75 -4.85 115.29 124.58 3m3i s HIS 25 Ca 0.70 1.52 -0.18 0.00 0.47 0.00 0.00 55.06 57.57 3m3i s HIS 25 Cb -0.40 -2.69 0.14 0.00 -0.13 0.00 0.00 32.58 29.50 3m3i s HIS 25 CO 0.31 0.52 1.62 -1.35 -2.47 0.00 0.00 174.74 173.37 3m3i h PRO 26 N 4.46 -0.11 0.00 2.88 0.11 -1.95 -1.08 132.00 136.32 3m3i h PRO 26 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3m3i h PRO 26 Cb 1.21 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3m3i h PRO 26 CO 0.66 -0.07 0.00 1.05 -0.21 0.00 0.00 178.00 179.42 3m3i h GLU 27 N -0.12 0.00 0.00 1.05 4.11 -1.95 -3.48 114.58 114.19 3m3i h GLU 27 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.66 3m3i h GLU 27 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3m3i h GLU 27 CO -0.57 0.00 0.00 0.41 0.07 0.00 0.00 179.01 178.92 3m3i n GLY 28 N -0.66 2.97 3.98 1.06 0.00 -0.41 -2.44 105.19 109.69 3m3i n GLY 28 Ca -0.01 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 3m3i n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m3i n GLY 29 N -1.09 -2.21 3.34 -0.02 0.00 -1.18 -4.43 105.19 99.61 3m3i n GLY 29 Ca 0.00 -1.51 -0.21 0.00 0.00 0.00 0.00 46.02 44.31 3m3i n GLY 29 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m3i s TYR 30 N -0.40 1.80 0.29 1.61 1.51 0.11 -1.81 117.35 120.45 3m3i s TYR 30 Ca 0.00 -0.50 -0.20 0.00 -1.01 0.00 0.00 57.07 55.36 3m3i s TYR 30 Cb 0.00 -0.86 0.04 0.00 -0.11 0.00 0.00 41.96 41.03 3m3i s TYR 30 CO 0.00 0.36 0.81 1.52 -1.11 0.00 0.00 175.55 177.13 3m3i s TYR 31 N -2.44 -0.06 -0.18 2.71 -0.85 0.69 -0.73 117.35 116.48 3m3i s TYR 31 Ca 0.19 -0.44 -0.21 0.00 -0.52 0.00 0.00 57.07 56.09 3m3i s TYR 31 Cb -0.04 0.74 0.06 0.00 0.38 0.00 0.00 41.96 43.10 3m3i s TYR 31 CO 0.07 -1.25 0.57 0.45 -1.52 0.00 0.00 175.55 173.87 3m3i s SER 32 N -3.01 -0.58 0.20 -0.18 0.15 -0.90 -0.17 113.70 109.22 3m3i s SER 32 Ca 0.14 1.04 -0.30 0.00 0.70 0.00 0.00 55.95 57.53 3m3i s SER 32 Cb -0.05 1.05 -0.08 0.00 -1.71 0.00 0.00 66.02 65.23 3m3i s SER 32 CO 0.08 -0.26 0.97 -1.61 1.20 0.00 0.00 173.24 173.62 3m3i s GLU 33 N 0.04 4.77 0.00 5.44 2.02 -1.26 -1.72 118.70 127.98 3m3i s GLU 33 Ca -0.02 1.53 0.00 0.00 0.02 0.00 0.00 54.97 56.50 3m3i s GLU 33 Cb -0.04 -3.30 0.00 0.00 0.10 0.00 0.00 34.13 30.89 3m3i s GLU 33 CO 0.02 0.36 0.00 0.28 0.02 0.00 0.00 175.26 175.94 3m3i n VAL 34 N 1.92 0.00 -4.05 2.63 0.31 -0.25 -4.90 118.33 113.99 3m3i n VAL 34 Ca -0.00 0.26 -0.10 0.00 -0.01 0.00 0.00 64.34 64.48 3m3i n VAL 34 Cb 0.47 -1.25 -0.11 0.00 -0.91 0.00 0.00 33.84 32.05 3m3i n VAL 34 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3m3i s VAL 35 N -0.96 0.36 -0.07 2.52 -7.23 -1.23 -5.01 120.40 108.78 3m3i s VAL 35 Ca 0.00 -1.26 0.02 0.00 -1.81 0.00 0.00 61.98 58.93 3m3i s VAL 35 Cb 0.00 -0.79 0.01 0.00 0.56 0.00 0.00 36.38 36.16 3m3i s VAL 35 CO 0.00 -0.60 -0.12 -0.13 -0.31 0.00 0.00 175.10 173.95 3m3i s ARG 36 N -2.25 1.68 0.24 4.82 0.52 -1.26 -1.30 118.95 121.41 3m3i s ARG 36 Ca -0.06 -0.40 -0.31 0.00 -0.52 0.00 0.00 55.73 54.44 3m3i s ARG 36 Cb -0.05 -1.43 -0.14 0.00 0.52 0.00 0.00 34.95 33.85 3m3i s ARG 36 CO -0.03 -0.01 1.30 0.45 0.02 0.00 0.00 175.30 177.04 3m3i n SER 37 N 3.95 2.27 -0.18 0.23 2.88 -0.87 -4.91 113.62 116.99 3m3i n SER 37 Ca -0.22 1.15 -0.10 0.00 -1.33 0.00 0.00 58.87 58.38 3m3i n SER 37 Cb 0.51 -1.37 0.03 0.00 -0.75 0.00 0.00 64.21 62.63 3m3i n SER 37 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3m3i h ALA 38 N 3.66 0.78 -2.78 -1.46 0.00 -2.00 -3.41 119.26 114.06 3m3i h ALA 38 Ca -0.44 -0.35 -0.51 0.00 0.00 0.00 0.00 54.91 53.61 3m3i h ALA 38 Cb 1.30 -0.19 0.03 0.00 0.00 0.00 0.00 17.79 18.93 3m3i h ALA 38 CO 0.72 0.67 0.51 -1.58 0.00 0.00 0.00 179.25 179.56 3m3i s HIS 39 N -4.84 3.35 0.16 0.00 5.65 -1.26 -4.93 115.29 113.42 3m3i s HIS 39 Ca -0.11 1.61 0.09 0.00 0.25 0.00 0.00 55.06 56.90 3m3i s HIS 39 Cb 0.13 -3.37 -0.04 0.00 -1.18 0.00 0.00 32.58 28.12 3m3i s HIS 39 CO 0.86 -0.95 -0.15 0.15 -0.65 0.00 0.00 174.74 174.01 3m3i s LYS 40 N -1.77 1.89 0.18 2.88 1.02 -1.26 -0.94 119.74 121.74 3m3i s LYS 40 Ca 0.49 -1.26 -0.02 0.00 0.02 0.00 0.00 55.97 55.19 3m3i s LYS 40 Cb -0.32 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.85 3m3i s LYS 40 CO 0.42 0.45 0.14 0.14 -0.92 0.00 0.00 175.35 175.58 3m3i s VAL 41 N -1.48 0.03 -0.03 3.17 -7.23 0.09 -4.84 120.40 110.11 3m3i s VAL 41 Ca 0.22 -1.91 -0.20 0.00 -1.81 0.00 0.00 61.98 58.28 3m3i s VAL 41 Cb -0.09 -2.33 -0.05 0.00 0.56 0.00 0.00 36.38 34.47 3m3i s VAL 41 CO 0.13 -0.14 0.57 -1.81 -0.31 0.00 0.00 175.10 173.53 3m3i s ASP 42 N -3.11 6.91 0.55 4.85 1.01 -1.26 -1.30 116.67 124.31 3m3i s ASP 42 Ca 0.33 1.08 -0.00 0.00 0.71 0.00 0.00 52.55 54.67 3m3i s ASP 42 Cb 0.06 -2.35 0.06 0.00 1.01 0.00 0.00 42.92 41.71 3m3i s ASP 42 CO 0.08 0.08 0.41 -0.46 0.21 0.00 0.00 175.17 175.49 3m3i n ASN 43 N 2.94 0.52 0.30 0.27 6.94 0.03 -4.90 115.26 121.36 3m3i n ASN 43 Ca -0.07 -1.44 0.19 0.00 -0.02 0.00 0.00 54.58 53.24 3m3i n ASN 43 Cb 0.51 -0.27 0.92 0.00 -2.36 0.00 0.00 39.78 38.59 3m3i n ASN 43 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 3m3i h GLU 44 N 0.00 0.00 -0.59 -3.83 3.07 -1.88 -1.07 114.58 110.27 3m3i h GLU 44 Ca -0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 3m3i h GLU 44 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3m3i h GLU 44 CO 0.14 0.02 0.00 0.39 -1.40 0.00 0.00 179.01 178.16 3m3i n GLU 45 N -3.16 3.10 -0.90 2.33 1.02 -1.26 -4.97 120.64 116.80 3m3i n GLU 45 Ca -0.01 -2.61 0.00 0.00 -0.02 0.00 0.00 57.16 54.51 3m3i n GLU 45 Cb 0.20 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 3m3i n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m3i n GLY 46 N 1.10 0.67 3.88 0.62 0.00 -0.41 -5.05 105.19 106.00 3m3i n GLY 46 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 3m3i n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3m3i s ASN 47 N -2.29 6.56 -0.09 1.61 0.01 -1.26 -4.73 114.94 114.74 3m3i s ASN 47 Ca 0.00 1.04 -0.26 0.00 -0.71 0.00 0.00 52.86 52.93 3m3i s ASN 47 Cb 0.00 -2.28 -0.03 0.00 0.41 0.00 0.00 41.25 39.36 3m3i s ASN 47 CO 0.00 -0.29 0.83 -0.13 -1.51 0.00 0.00 177.10 176.00 3m3i s ARG 48 N -3.52 4.41 0.05 -0.60 1.81 -1.26 -0.79 118.95 119.05 3m3i s ARG 48 Ca 0.50 1.08 0.00 0.00 -1.72 0.00 0.00 55.73 55.59 3m3i s ARG 48 Cb -0.10 -3.50 -0.03 0.00 -0.45 0.00 0.00 34.95 30.86 3m3i s ARG 48 CO 0.28 -0.13 -0.05 1.03 -0.68 0.00 0.00 175.30 175.74 3m3i s ARG 49 N 1.44 0.59 0.63 3.54 1.81 -0.42 -4.97 118.95 121.57 3m3i s ARG 49 Ca 0.41 -1.05 -0.18 0.00 -1.72 0.00 0.00 55.73 53.19 3m3i s ARG 49 Cb -0.18 0.01 -0.03 0.00 -0.45 0.00 0.00 34.95 34.30 3m3i s ARG 49 CO 0.18 -0.05 1.11 0.72 -0.68 0.00 0.00 175.30 176.58 3m3i n HIS 50 N 0.59 1.32 -0.25 -0.53 8.25 -1.26 -0.73 115.22 122.61 3m3i n HIS 50 Ca -0.17 0.43 0.05 0.00 -0.26 0.00 0.00 57.72 57.76 3m3i n HIS 50 Cb 0.59 -2.19 0.18 0.00 1.12 0.00 0.00 29.99 29.68 3m3i n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m3i h ALA 51 N 0.46 1.02 -2.49 -1.41 0.00 -1.27 0.16 119.26 115.74 3m3i h ALA 51 Ca -0.50 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 3m3i h ALA 51 Cb 1.35 0.10 -0.17 0.00 0.00 0.00 0.00 17.79 19.07 3m3i h ALA 51 CO 0.52 -0.22 -0.11 1.52 0.00 0.00 0.00 179.25 180.96 3m3i s TYR 52 N -6.03 -0.28 0.07 0.00 -0.85 -1.26 -3.63 117.35 105.37 3m3i s TYR 52 Ca -0.12 0.29 0.07 0.00 -0.52 0.00 0.00 57.07 56.78 3m3i s TYR 52 Cb 0.20 0.22 -0.03 0.00 0.38 0.00 0.00 41.96 42.73 3m3i s TYR 52 CO 0.76 -0.55 -0.18 0.95 -1.52 0.00 0.00 175.55 175.01 3m3i s THR 53 N -2.24 1.43 0.07 -3.49 -4.23 -0.42 -2.05 115.64 104.70 3m3i s THR 53 Ca -0.07 -1.32 0.05 0.00 -1.18 0.00 0.00 61.69 59.17 3m3i s THR 53 Cb -0.01 -1.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.50 3m3i s THR 53 CO -0.01 -0.05 -0.14 0.42 -0.54 0.00 0.00 174.62 174.30 3m3i s THR 54 N -1.07 1.09 0.05 3.99 -4.23 -0.42 -1.64 115.64 113.40 3m3i s THR 54 Ca 0.03 -1.28 -0.00 0.00 -1.18 0.00 0.00 61.69 59.26 3m3i s THR 54 Cb -0.09 -1.05 -0.03 0.00 1.34 0.00 0.00 72.50 72.66 3m3i s THR 54 CO 0.03 -0.22 -0.04 0.27 -0.54 0.00 0.00 174.62 174.12 3m3i s ILE 55 N -1.26 0.25 0.13 2.99 -4.36 -0.48 -1.09 121.20 117.39 3m3i s ILE 55 Ca -0.02 -1.58 -0.22 0.00 -0.26 0.00 0.00 60.65 58.56 3m3i s ILE 55 Cb -0.10 -1.21 -0.07 0.00 1.25 0.00 0.00 42.46 42.33 3m3i s ILE 55 CO 0.02 -0.85 0.68 -0.31 0.24 0.00 0.00 174.94 174.72 3m3i s TYR 56 N -3.22 3.83 -0.07 1.37 2.02 -0.70 -1.51 117.35 119.07 3m3i s TYR 56 Ca 0.01 1.44 0.02 0.00 -0.37 0.00 0.00 57.07 58.18 3m3i s TYR 56 Cb 0.03 -2.63 0.02 0.00 -0.40 0.00 0.00 41.96 38.98 3m3i s TYR 56 CO -0.07 0.53 -0.10 0.12 -1.57 0.00 0.00 175.55 174.46 3m3i s PHE 57 N -1.18 1.29 -0.15 2.71 5.36 -0.67 -2.11 117.98 123.23 3m3i s PHE 57 Ca 0.34 -0.48 0.01 0.00 -0.96 0.00 0.00 56.93 55.84 3m3i s PHE 57 Cb -0.21 -0.99 0.02 0.00 -0.34 0.00 0.00 43.02 41.50 3m3i s PHE 57 CO 0.22 -0.29 -0.19 -1.17 -1.46 0.00 0.00 175.22 172.34 3m3i s LEU 58 N 0.87 1.99 -0.03 6.12 0.20 0.09 -1.47 118.68 126.45 3m3i s LEU 58 Ca -0.11 -0.58 0.03 0.00 0.69 0.00 0.00 54.13 54.16 3m3i s LEU 58 Cb -0.15 -1.37 -0.03 0.00 -0.43 0.00 0.00 46.19 44.21 3m3i s LEU 58 CO 0.01 0.02 -0.11 0.00 -0.29 0.00 0.00 176.35 175.98 3m3i s THR 60 N -0.84 0.97 0.32 0.00 -4.23 -1.17 -0.84 115.64 109.84 3m3i s THR 60 Ca 0.13 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.75 3m3i s THR 60 Cb -0.11 -2.61 0.03 0.00 1.34 0.00 0.00 72.50 71.15 3m3i s THR 60 CO 0.03 0.00 1.71 -0.65 -0.54 0.00 0.00 174.62 175.17 3m3i h PRO 61 N 1.97 0.02 0.00 3.99 0.11 -1.78 -2.72 132.00 133.59 3m3i h PRO 61 Ca -0.39 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.61 3m3i h PRO 61 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3m3i h PRO 61 CO 0.65 0.52 -0.46 0.93 -0.21 0.00 0.00 178.00 179.42 3m3i h GLU 62 N 0.02 0.00 -2.49 1.05 5.08 -1.95 -3.40 114.58 112.89 3m3i h GLU 62 Ca -0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.75 3m3i h GLU 62 Cb 0.89 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.72 3m3i h GLU 62 CO 0.07 0.46 -0.65 0.45 -1.00 0.00 0.00 179.01 178.34 3m3i n SER 63 N -3.24 2.97 -4.87 1.42 2.88 -1.03 -5.03 113.62 106.72 3m3i n SER 63 Ca 0.02 -3.24 -0.30 0.00 -1.33 0.00 0.00 58.87 54.02 3m3i n SER 63 Cb 0.70 -0.69 0.07 0.00 -0.75 0.00 0.00 64.21 63.55 3m3i n SER 63 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3m3i s PRO 64 N -1.89 2.35 -0.15 -1.46 0.04 -1.21 -3.05 135.00 129.64 3m3i s PRO 64 Ca 0.34 0.38 -0.16 0.00 0.04 0.00 0.00 61.00 61.59 3m3i s PRO 64 Cb 0.08 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 3m3i s PRO 64 CO -0.08 -1.38 0.40 0.45 0.04 0.00 0.00 177.00 176.43 3m3i s SER 65 N -4.32 6.55 0.82 6.66 0.15 -0.12 -3.59 113.70 119.84 3m3i s SER 65 Ca 0.60 0.66 -0.12 0.00 0.70 0.00 0.00 55.95 57.79 3m3i s SER 65 Cb -0.12 -2.24 0.08 0.00 -1.71 0.00 0.00 66.02 62.03 3m3i s SER 65 CO 0.51 0.02 1.18 -1.00 1.20 0.00 0.00 173.24 175.15 3m3i s HIS 66 N 0.72 2.90 0.10 3.44 3.76 -1.02 -2.41 115.29 122.76 3m3i s HIS 66 Ca 0.22 0.74 -0.31 0.00 -0.15 0.00 0.00 55.06 55.55 3m3i s HIS 66 Cb -0.14 -3.52 -0.07 0.00 1.11 0.00 0.00 32.58 29.96 3m3i s HIS 66 CO 0.08 -1.82 1.32 -0.51 -0.85 0.00 0.00 174.74 172.96 3m3i s LEU 67 N -5.60 4.37 0.00 0.89 1.43 -0.89 -4.40 118.68 114.49 3m3i s LEU 67 Ca 0.62 2.21 -0.01 0.00 -1.03 0.00 0.00 54.13 55.92 3m3i s LEU 67 Cb -0.11 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.53 3m3i s LEU 67 CO 0.49 -0.58 0.19 0.00 0.23 0.00 0.00 176.35 176.68 3m3i n HIS 68 N 3.93 -0.90 -3.66 0.29 1.44 -0.03 -3.47 115.22 112.83 3m3i n HIS 68 Ca 0.10 -0.79 -0.09 0.00 -2.01 0.00 0.00 57.72 54.94 3m3i n HIS 68 Cb 0.44 0.21 -0.08 0.00 0.12 0.00 0.00 29.99 30.68 3m3i n HIS 68 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 3m3i s ARG 69 N -2.24 0.61 0.44 -1.40 3.52 -0.44 -0.58 118.95 118.85 3m3i s ARG 69 Ca 0.09 1.06 0.05 0.00 -0.13 0.00 0.00 55.73 56.80 3m3i s ARG 69 Cb -0.01 0.10 0.05 0.00 -1.56 0.00 0.00 34.95 33.54 3m3i s ARG 69 CO 0.07 -0.15 0.43 1.28 -0.81 0.00 0.00 175.30 176.12 3m3i n LEU 70 N 4.18 0.00 -0.10 -0.88 4.77 -1.26 -1.60 117.00 122.11 3m3i n LEU 70 Ca -0.21 -2.13 0.03 0.00 -0.03 0.00 0.00 56.01 53.67 3m3i n LEU 70 Cb 0.58 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 3m3i n LEU 70 CO 0.02 -0.57 0.14 0.00 -1.33 0.00 0.00 177.39 175.65 3m3i s SER 72 N -1.06 4.07 0.43 0.00 0.01 -1.26 -4.56 113.70 111.33 3m3i s SER 72 Ca 0.04 -0.81 -0.26 0.00 1.31 0.00 0.00 55.95 56.23 3m3i s SER 72 Cb 0.04 -0.58 -0.08 0.00 0.21 0.00 0.00 66.02 65.61 3m3i s SER 72 CO 0.15 0.03 1.37 -1.81 0.41 0.00 0.00 173.24 173.40 3m3i s ASP 73 N -3.49 6.07 -0.16 2.44 -0.00 -1.24 -3.64 116.67 116.64 3m3i s ASP 73 Ca 0.30 2.80 0.01 0.00 -0.00 0.00 0.00 52.55 55.66 3m3i s ASP 73 Cb -0.06 -2.65 0.02 0.00 -0.00 0.00 0.00 42.92 40.23 3m3i s ASP 73 CO 0.17 -1.03 -0.20 -0.70 -0.00 0.00 0.00 175.17 173.41 3m3i s GLU 74 N -2.36 2.93 -0.04 8.23 2.12 -0.63 -1.89 118.70 127.06 3m3i s GLU 74 Ca 0.59 -0.81 -0.09 0.00 0.36 0.00 0.00 54.97 55.03 3m3i s GLU 74 Cb -0.41 -2.48 -0.05 0.00 0.26 0.00 0.00 34.13 31.45 3m3i s GLU 74 CO 0.53 -0.15 0.26 0.99 -0.54 0.00 0.00 175.26 176.34 3m3i s THR 75 N 1.17 5.31 -0.03 -1.70 2.01 0.40 -0.41 115.64 122.38 3m3i s THR 75 Ca 0.01 0.33 0.05 0.00 0.31 0.00 0.00 61.69 62.40 3m3i s THR 75 Cb -0.14 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 3m3i s THR 75 CO -0.10 0.50 -0.19 0.26 -0.69 0.00 0.00 174.62 174.40 3m3i s TRP 76 N -1.16 2.56 -0.09 4.92 0.52 0.15 -1.33 118.94 124.50 3m3i s TRP 76 Ca 0.23 -0.27 -0.01 0.00 0.02 0.00 0.00 56.10 56.07 3m3i s TRP 76 Cb -0.14 -1.57 0.03 0.00 -1.15 0.00 0.00 33.47 30.64 3m3i s TRP 76 CO 0.11 0.11 -0.01 -1.64 0.02 0.00 0.00 176.95 175.54 3m3i s MET 77 N -0.72 0.79 0.18 4.98 -1.94 -0.41 -1.73 119.30 120.45 3m3i s MET 77 Ca 0.11 0.01 -0.31 0.00 -1.71 0.00 0.00 55.69 53.79 3m3i s MET 77 Cb -0.10 -1.15 -0.09 0.00 2.01 0.00 0.00 34.83 35.49 3m3i s MET 77 CO 0.00 -0.31 1.42 -0.47 -0.01 0.00 0.00 175.02 175.64 3m3i s TYR 78 N 1.91 3.15 -0.01 -0.03 6.14 -0.23 -1.37 117.35 126.92 3m3i s TYR 78 Ca 0.05 0.98 -0.02 0.00 0.64 0.00 0.00 57.07 58.71 3m3i s TYR 78 Cb -0.13 -3.75 -0.01 0.00 0.42 0.00 0.00 41.96 38.49 3m3i s TYR 78 CO -0.06 -2.53 -0.05 0.72 0.64 0.00 0.00 175.55 174.27 3m3i n HIS 79 N 3.16 0.00 -3.46 4.97 8.25 -0.74 -4.91 115.22 122.48 3m3i n HIS 79 Ca 0.09 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.41 3m3i n HIS 79 Cb 0.41 -0.12 -0.04 0.00 1.12 0.00 0.00 29.99 31.36 3m3i n HIS 79 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m3i s ALA 80 N -2.09 -1.67 0.00 -1.41 0.00 -0.97 -5.03 121.76 110.59 3m3i s ALA 80 Ca -0.05 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.72 3m3i s ALA 80 Cb 0.02 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.68 3m3i s ALA 80 CO 0.07 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.62 3m3i n GLY 81 N 0.12 -1.80 3.76 0.00 0.00 -1.26 -0.59 105.19 105.42 3m3i n GLY 81 Ca -0.18 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 43.57 3m3i n GLY 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m3i s ASP 82 N -4.00 4.23 0.66 1.61 1.01 0.83 -4.93 116.67 116.08 3m3i s ASP 82 Ca 0.00 1.59 -0.17 0.00 0.71 0.00 0.00 52.55 54.68 3m3i s ASP 82 Cb 0.00 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.62 3m3i s ASP 82 CO 0.00 -2.17 1.21 -2.16 0.21 0.00 0.00 175.17 172.25 3m3i s PRO 83 N -4.97 2.56 -0.26 8.23 0.04 -1.26 -4.37 135.00 134.96 3m3i s PRO 83 Ca 0.62 1.78 -0.12 0.00 0.04 0.00 0.00 61.00 63.31 3m3i s PRO 83 Cb -0.17 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 3m3i s PRO 83 CO 0.56 -1.52 0.25 -1.17 0.04 0.00 0.00 177.00 175.16 3m3i s LEU 84 N -4.64 4.06 -0.41 -3.56 2.96 -0.31 -4.74 118.68 112.05 3m3i s LEU 84 Ca 0.76 0.15 -0.26 0.00 -0.22 0.00 0.00 54.13 54.57 3m3i s LEU 84 Cb -0.30 -2.24 0.02 0.00 0.50 0.00 0.00 46.19 44.17 3m3i s LEU 84 CO 0.40 -0.06 0.92 -1.10 -1.32 0.00 0.00 176.35 175.19 3m3i s GLN 85 N 1.63 3.72 -0.23 1.98 -0.21 0.28 -1.77 119.66 125.05 3m3i s GLN 85 Ca 0.11 0.40 -0.13 0.00 0.02 0.00 0.00 55.36 55.75 3m3i s GLN 85 Cb -0.15 -3.85 -0.04 0.00 1.00 0.00 0.00 33.01 29.96 3m3i s GLN 85 CO 0.09 -1.05 0.29 -0.51 -2.12 0.00 0.00 175.29 171.98 3m3i s LEU 86 N 3.58 4.11 -0.46 2.90 1.43 0.30 -0.81 118.68 129.72 3m3i s LEU 86 Ca 0.37 0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 53.65 3m3i s LEU 86 Cb -0.11 -2.31 0.10 0.00 0.03 0.00 0.00 46.19 43.90 3m3i s LEU 86 CO 0.22 -0.04 0.33 -1.00 0.23 0.00 0.00 176.35 176.09 3m3i s HIS 87 N 1.38 3.36 -0.27 0.29 3.76 0.82 -1.43 115.29 123.20 3m3i s HIS 87 Ca 0.13 -1.61 -0.03 0.00 -0.15 0.00 0.00 55.06 53.40 3m3i s HIS 87 Cb -0.15 -3.28 0.03 0.00 1.11 0.00 0.00 32.58 30.30 3m3i s HIS 87 CO 0.07 -0.92 -0.02 0.08 -0.85 0.00 0.00 174.74 173.10 3m3i s VAL 88 N 1.43 3.11 -0.47 -0.90 1.01 -0.32 -2.22 120.40 122.04 3m3i s VAL 88 Ca 0.04 -1.04 -0.15 0.00 0.00 0.00 0.00 61.98 60.83 3m3i s VAL 88 Cb -0.25 -2.63 0.07 0.00 0.00 0.00 0.00 36.38 33.57 3m3i s VAL 88 CO 0.01 0.11 0.38 -0.63 0.00 0.00 0.00 175.10 174.98 3m3i s ILE 89 N 1.34 5.20 0.34 2.22 1.01 -0.18 -0.06 121.20 131.07 3m3i s ILE 89 Ca -0.01 -1.04 -0.26 0.00 0.00 0.00 0.00 60.65 59.34 3m3i s ILE 89 Cb -0.17 -4.09 -0.09 0.00 0.01 0.00 0.00 42.46 38.11 3m3i s ILE 89 CO -0.02 -0.55 1.01 -0.76 0.00 0.00 0.00 174.94 174.62 3m3i s LEU 90 N 1.64 4.31 0.00 2.97 1.43 -0.17 -1.54 118.68 127.31 3m3i s LEU 90 Ca 0.04 2.00 -0.02 0.00 -1.03 0.00 0.00 54.13 55.12 3m3i s LEU 90 Cb -0.24 -4.00 -0.01 0.00 0.03 0.00 0.00 46.19 41.97 3m3i s LEU 90 CO 0.07 -0.24 0.74 0.50 0.23 0.00 0.00 176.35 177.64 3m3i h LYS 91 N 3.05 -0.07 -6.04 1.70 3.64 -1.89 -3.02 116.57 113.94 3m3i h LYS 91 Ca -0.47 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.35 3m3i h LYS 91 Cb 1.20 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.95 3m3i h LYS 91 CO 0.64 -0.04 -0.55 -0.51 -2.27 0.00 0.00 179.45 176.71 3m3i s ASP 92 N -2.45 4.50 -0.79 4.20 1.01 -1.26 -0.30 116.67 121.58 3m3i s ASP 92 Ca -0.01 -0.88 -0.27 0.00 0.71 0.00 0.00 52.55 52.10 3m3i s ASP 92 Cb 0.00 -0.63 -0.27 0.00 1.01 0.00 0.00 42.92 43.03 3m3i s ASP 92 CO 0.03 -0.32 1.96 -2.65 0.21 0.00 0.00 175.17 174.40 3m3i n PRO 93 N -1.11 0.07 -0.56 8.23 -0.02 -1.26 -4.64 135.00 135.71 3m3i n PRO 93 Ca -0.03 -1.49 0.10 0.00 -2.02 0.00 0.00 63.50 60.06 3m3i n PRO 93 Cb 0.62 -3.52 0.35 0.00 -0.02 0.00 0.00 33.50 30.94 3m3i n PRO 93 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3m3i n GLN 94 N 8.00 3.48 0.22 -0.52 6.02 -1.26 -4.03 117.38 129.29 3m3i n GLN 94 Ca 0.41 -2.82 0.08 0.00 -0.01 0.00 0.00 57.00 54.66 3m3i n GLN 94 Cb 0.46 -1.82 0.49 0.00 1.02 0.00 0.00 30.24 30.39 3m3i n GLN 94 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 3m3i h ASP 95 N 4.19 0.00 1.18 1.08 3.32 -1.96 -3.24 116.42 120.99 3m3i h ASP 95 Ca 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 3m3i h ASP 95 Cb 1.34 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.86 3m3i h ASP 95 CO 0.17 0.27 -0.84 -0.33 -1.72 0.00 0.00 179.24 176.79 3m3i h GLU 96 N 0.00 0.00 0.00 3.56 4.39 -1.98 -3.18 114.58 117.37 3m3i h GLU 96 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 3m3i h GLU 96 Cb 0.62 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3m3i h GLU 96 CO 0.03 0.71 -0.16 -0.44 -1.16 0.00 0.00 179.01 177.99 3m3i h ASP 97 N 0.00 0.00 0.00 1.42 5.19 -1.82 -3.55 116.42 117.66 3m3i h ASP 97 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 3m3i h ASP 97 Cb 1.60 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.11 3m3i h ASP 97 CO 0.09 0.16 -1.19 -2.11 -3.12 0.00 0.00 179.24 173.08 3m3i n ARG 98 N -4.27 0.79 0.00 3.56 1.85 -1.21 -5.18 116.66 112.20 3m3i n ARG 98 Ca -0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 3m3i n ARG 98 Cb 0.23 -1.40 0.00 0.00 -1.05 0.00 0.00 32.46 30.24 3m3i n ARG 98 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3m3i n ARG 117 N -1.67 0.00 -1.66 2.89 0.00 -1.26 -5.13 116.66 109.83 3m3i n ARG 117 Ca 0.01 0.00 -0.45 0.00 -0.00 0.00 0.00 57.85 57.42 3m3i n ARG 117 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.79 3m3i n ARG 117 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3m3i n PRO 118 N 0.00 1.91 -3.88 -0.14 -0.02 -1.26 -5.00 135.00 126.61 3m3i n PRO 118 Ca 0.00 0.68 -0.21 0.00 -2.02 0.00 0.00 63.50 61.95 3m3i n PRO 118 Cb 0.00 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.18 3m3i n PRO 118 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3m3i s LYS 119 N -0.81 3.04 -1.81 -0.52 -0.14 -1.26 -4.60 119.74 113.63 3m3i s LYS 119 Ca 0.65 -1.04 0.00 0.00 -1.36 0.00 0.00 55.97 54.22 3m3i s LYS 119 Cb -0.66 -2.67 0.00 0.00 -1.68 0.00 0.00 37.83 32.82 3m3i s LYS 119 CO 0.53 0.27 0.00 0.66 -0.76 0.00 0.00 175.35 176.05 3m3i n TYR 120 N -1.37 -0.42 0.22 3.18 4.01 0.59 -4.90 117.16 118.47 3m3i n TYR 120 Ca -0.05 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.80 3m3i n TYR 120 Cb 0.58 -3.41 0.35 0.00 -0.31 0.00 0.00 39.34 36.56 3m3i n TYR 120 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3m3i h GLN 121 N 0.00 0.00 -5.19 -0.72 4.20 -1.78 -3.46 115.11 108.16 3m3i h GLN 121 Ca -0.41 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 57.63 3m3i h GLN 121 Cb 1.27 0.00 -0.31 0.00 0.30 0.00 0.00 27.48 28.74 3m3i h GLN 121 CO 0.55 0.15 -0.81 0.08 -0.67 0.00 0.00 178.83 178.12 3m3i s VAL 122 N -3.41 2.58 -0.11 -0.54 1.01 -1.26 -5.04 120.40 113.63 3m3i s VAL 122 Ca 0.03 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.22 3m3i s VAL 122 Cb 0.08 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 3m3i s VAL 122 CO 0.64 0.52 -0.14 -0.47 0.00 0.00 0.00 175.10 175.65 3m3i s TYR 123 N 0.84 2.76 -0.04 5.22 5.04 -1.26 -1.00 117.35 128.90 3m3i s TYR 123 Ca -0.05 -0.56 0.05 0.00 -2.44 0.00 0.00 57.07 54.07 3m3i s TYR 123 Cb -0.15 -1.78 -0.01 0.00 0.35 0.00 0.00 41.96 40.37 3m3i s TYR 123 CO -0.01 -0.13 -0.21 1.03 -1.34 0.00 0.00 175.55 174.89 3m3i s ARG 124 N 0.09 2.06 -0.26 4.97 0.52 0.91 -5.00 118.95 122.25 3m3i s ARG 124 Ca -0.06 -0.74 -0.13 0.00 -0.52 0.00 0.00 55.73 54.27 3m3i s ARG 124 Cb -0.15 -1.80 -0.04 0.00 0.52 0.00 0.00 34.95 33.48 3m3i s ARG 124 CO 0.05 0.33 0.30 0.50 0.02 0.00 0.00 175.30 176.50 3m3i s ARG 125 N -0.12 4.03 -0.05 3.54 3.52 -1.26 -1.18 118.95 127.43 3m3i s ARG 125 Ca -0.02 -0.07 0.06 0.00 -0.13 0.00 0.00 55.73 55.57 3m3i s ARG 125 Cb -0.12 -3.62 -0.01 0.00 -1.56 0.00 0.00 34.95 29.64 3m3i s ARG 125 CO 0.02 -0.16 -0.23 0.08 -0.81 0.00 0.00 175.30 174.20 3m3i s VAL 126 N 1.72 1.86 -0.37 7.11 1.01 -0.51 -4.97 120.40 126.24 3m3i s VAL 126 Ca 0.13 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 61.01 3m3i s VAL 126 Cb -0.15 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.65 3m3i s VAL 126 CO 0.09 0.52 0.25 -0.76 0.00 0.00 0.00 175.10 175.20 3m3i s LEU 127 N -0.13 4.74 -0.34 3.92 1.43 -1.26 -0.54 118.68 126.50 3m3i s LEU 127 Ca -0.03 -0.69 -0.22 0.00 -1.03 0.00 0.00 54.13 52.15 3m3i s LEU 127 Cb -0.13 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.98 3m3i s LEU 127 CO 0.03 -0.34 0.73 -0.69 0.23 0.00 0.00 176.35 176.31 3m3i s VAL 128 N 1.67 4.81 0.09 -1.59 1.01 -0.73 -0.07 120.40 125.60 3m3i s VAL 128 Ca 0.05 0.90 -0.22 0.00 0.00 0.00 0.00 61.98 62.71 3m3i s VAL 128 Cb -0.18 -4.13 0.07 0.00 0.00 0.00 0.00 36.38 32.14 3m3i s VAL 128 CO 0.09 -0.31 1.01 0.61 0.00 0.00 0.00 175.10 176.51 3m3i n GLY 129 N 4.45 0.50 0.01 4.51 0.00 -0.62 -1.16 105.19 112.89 3m3i n GLY 129 Ca 0.02 -1.08 0.11 0.00 0.00 0.00 0.00 46.02 45.06 3m3i n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3i n ALA 130 N -1.07 3.83 -2.79 4.61 0.00 -1.26 -2.58 120.51 121.24 3m3i n ALA 130 Ca -0.11 -0.48 -0.44 0.00 0.00 0.00 0.00 53.44 52.42 3m3i n ALA 130 Cb 0.52 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3m3i n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3m3i n ARG 131 N -1.77 3.31 0.19 0.00 1.74 -1.26 -4.77 116.66 114.10 3m3i n ARG 131 Ca 0.03 -3.63 0.14 0.00 -0.77 0.00 0.00 57.85 53.62 3m3i n ARG 131 Cb 0.40 -3.20 0.65 0.00 -1.02 0.00 0.00 32.46 29.29 3m3i n ARG 131 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 3m3i h VAL 132 N 4.94 0.00 0.00 1.55 -1.51 -1.85 -1.77 116.25 117.62 3m3i h VAL 132 Ca 0.37 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.67 3m3i h VAL 132 Cb 0.86 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 3m3i h VAL 132 CO 1.34 0.00 0.00 1.05 -1.23 0.00 0.00 177.57 178.73 3m3i h GLU 133 N 0.00 0.00 -0.50 5.19 9.09 -1.86 -3.12 114.58 123.39 3m3i h GLU 133 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3m3i h GLU 133 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 3m3i h GLU 133 CO 0.00 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.60 3m3i n ARG 134 N -3.04 2.58 -0.19 1.06 1.74 -0.70 -4.94 116.66 113.17 3m3i n ARG 134 Ca 0.03 -2.41 0.00 0.00 -0.77 0.00 0.00 57.85 54.71 3m3i n ARG 134 Cb 0.48 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 3m3i n ARG 134 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3m3i n GLY 135 N 1.53 0.60 3.80 -0.13 0.00 -1.18 -5.07 105.19 104.74 3m3i n GLY 135 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 3m3i n GLY 135 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m3i s GLU 136 N -0.81 4.03 -0.15 1.61 2.02 -0.97 -4.76 118.70 119.67 3m3i s GLU 136 Ca 0.00 1.37 0.00 0.00 0.02 0.00 0.00 54.97 56.36 3m3i s GLU 136 Cb 0.00 -2.28 -0.00 0.00 0.10 0.00 0.00 34.13 31.94 3m3i s GLU 136 CO 0.00 -0.24 -0.15 -0.51 0.02 0.00 0.00 175.26 174.39 3m3i s LEU 137 N -3.10 2.51 0.38 1.80 1.43 0.90 -3.87 118.68 118.74 3m3i s LEU 137 Ca 0.63 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 53.32 3m3i s LEU 137 Cb -0.17 -1.57 0.73 0.00 0.03 0.00 0.00 46.19 45.21 3m3i s LEU 137 CO 0.21 0.09 2.01 -0.07 0.23 0.00 0.00 176.35 178.83 3m3i h LEU 138 N 7.24 0.58 -8.04 1.79 3.38 -1.80 -1.65 115.31 116.80 3m3i h LEU 138 Ca -0.32 -0.03 -0.36 0.00 0.09 0.00 0.00 57.88 57.26 3m3i h LEU 138 Cb 1.19 -0.15 -0.27 0.00 0.09 0.00 0.00 40.66 41.52 3m3i h LEU 138 CO 0.57 0.45 -0.77 -1.58 0.09 0.00 0.00 178.44 177.20 3m3i s GLN 139 N -5.52 0.63 -0.14 1.13 0.74 -1.26 -1.06 119.66 114.18 3m3i s GLN 139 Ca -0.09 -0.38 -0.21 0.00 0.05 0.00 0.00 55.36 54.73 3m3i s GLN 139 Cb 0.17 -0.59 0.05 0.00 1.10 0.00 0.00 33.01 33.74 3m3i s GLN 139 CO 0.75 0.16 0.53 -0.47 -0.55 0.00 0.00 175.29 175.71 3m3i s TYR 140 N -0.40 -0.54 -0.17 1.67 5.04 -0.71 -4.99 117.35 117.25 3m3i s TYR 140 Ca 0.01 1.20 0.00 0.00 -2.44 0.00 0.00 57.07 55.84 3m3i s TYR 140 Cb -0.04 0.23 0.01 0.00 0.35 0.00 0.00 41.96 42.50 3m3i s TYR 140 CO -0.00 -0.37 -0.16 0.99 -1.34 0.00 0.00 175.55 174.67 3m3i s THR 141 N -0.27 2.49 -0.39 4.34 2.01 -1.26 0.29 115.64 122.85 3m3i s THR 141 Ca -0.04 -0.81 -0.24 0.00 0.31 0.00 0.00 61.69 60.91 3m3i s THR 141 Cb -0.03 -2.06 0.01 0.00 0.01 0.00 0.00 72.50 70.43 3m3i s THR 141 CO 0.03 0.51 0.82 -0.69 -0.69 0.00 0.00 174.62 174.60 3m3i s VAL 142 N 1.08 4.67 0.30 3.82 1.01 0.45 -4.95 120.40 126.78 3m3i s VAL 142 Ca -0.00 0.83 -0.29 0.00 0.00 0.00 0.00 61.98 62.52 3m3i s VAL 142 Cb -0.14 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 31.86 3m3i s VAL 142 CO -0.05 -0.54 1.38 -2.84 0.00 0.00 0.00 175.10 173.05 3m3i s PRO 143 N 3.25 4.29 0.15 2.72 0.02 -1.26 -1.61 135.00 142.56 3m3i s PRO 143 Ca 0.33 2.29 -0.34 0.00 0.02 0.00 0.00 61.00 63.30 3m3i s PRO 143 Cb -0.12 -3.08 -0.16 0.00 0.02 0.00 0.00 34.50 31.16 3m3i s PRO 143 CO 0.19 -0.32 1.20 0.41 -0.33 0.00 0.00 177.00 178.15 3m3i n GLY 144 N 1.35 0.14 0.00 0.52 0.00 -1.24 -2.07 105.19 103.88 3m3i n GLY 144 Ca 0.03 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.63 3m3i n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m3i n GLY 145 N 2.13 0.11 3.79 -0.02 0.00 -1.01 -4.87 105.19 105.32 3m3i n GLY 145 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 3m3i n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3i s ALA 146 N -2.00 3.04 -0.20 4.61 0.00 -0.88 -4.29 121.76 122.04 3m3i s ALA 146 Ca 0.00 0.64 -0.17 0.00 0.00 0.00 0.00 51.96 52.43 3m3i s ALA 146 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 3m3i s ALA 146 CO 0.00 -0.18 0.45 0.42 0.00 0.00 0.00 175.76 176.45 3m3i s ILE 147 N -1.77 5.16 0.13 0.00 1.01 -0.59 -4.30 121.20 120.83 3m3i s ILE 147 Ca 0.60 0.82 -0.11 0.00 0.00 0.00 0.00 60.65 61.96 3m3i s ILE 147 Cb -0.19 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.50 3m3i s ILE 147 CO 0.24 0.22 0.29 0.72 0.00 0.00 0.00 174.94 176.41 3m3i s PHE 148 N 1.44 0.15 0.26 3.97 -0.71 0.25 -1.01 117.98 122.33 3m3i s PHE 148 Ca 0.21 -0.53 -0.22 0.00 -1.04 0.00 0.00 56.93 55.35 3m3i s PHE 148 Cb -0.15 0.04 0.03 0.00 -1.21 0.00 0.00 43.02 41.73 3m3i s PHE 148 CO 0.09 -0.67 0.77 0.20 -1.34 0.00 0.00 175.22 174.27 3m3i s GLY 149 N -2.89 -0.10 0.10 1.99 0.00 -0.94 -0.85 107.32 104.62 3m3i s GLY 149 Ca 0.09 -0.24 0.03 0.00 0.00 0.00 0.00 44.72 44.61 3m3i s GLY 149 CO -0.07 -0.06 -0.10 -1.35 0.00 0.00 0.00 173.10 171.53 3m3i s SER 150 N -2.93 1.39 0.20 1.64 1.04 -1.01 -0.13 113.70 113.90 3m3i s SER 150 Ca 0.11 -0.83 -0.16 0.00 0.48 0.00 0.00 55.95 55.55 3m3i s SER 150 Cb -0.05 0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.11 3m3i s SER 150 CO 0.06 -0.29 0.50 -0.94 0.98 0.00 0.00 173.24 173.56 3m3i s SER 151 N -2.50 -0.20 -0.03 7.02 1.04 0.01 -0.95 113.70 118.09 3m3i s SER 151 Ca 0.06 -0.59 0.04 0.00 0.48 0.00 0.00 55.95 55.94 3m3i s SER 151 Cb -0.02 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 3m3i s SER 151 CO -0.01 -1.06 -0.16 -0.69 0.98 0.00 0.00 173.24 172.30 3m3i s VAL 152 N -3.90 1.31 0.51 5.02 1.01 -1.26 -0.56 120.40 122.52 3m3i s VAL 152 Ca 0.12 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.19 3m3i s VAL 152 Cb -0.01 -1.11 -0.06 0.00 0.00 0.00 0.00 36.38 35.20 3m3i s VAL 152 CO -0.00 0.38 1.39 0.00 0.00 0.00 0.00 175.10 176.86 3m3i n ALA 153 N 2.94 1.77 0.08 5.51 0.00 -1.26 -4.29 120.51 125.26 3m3i n ALA 153 Ca -0.16 0.18 -0.08 0.00 0.00 0.00 0.00 53.44 53.37 3m3i n ALA 153 Cb 0.54 -2.37 0.03 0.00 0.00 0.00 0.00 19.45 17.65 3m3i n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m3i h ALA 154 N 1.79 0.62 -2.56 0.00 0.00 -1.90 -3.42 119.26 113.79 3m3i h ALA 154 Ca -0.51 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 53.75 3m3i h ALA 154 Cb 1.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3m3i h ALA 154 CO 0.59 0.84 0.21 -0.40 0.00 0.00 0.00 179.25 180.48 3m3i n ASP 155 N -3.75 -1.42 0.00 0.00 5.68 -1.25 -4.90 116.55 110.91 3m3i n ASP 155 Ca -0.03 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.31 3m3i n ASP 155 Cb 0.74 2.35 0.00 0.00 -1.14 0.00 0.00 41.12 43.07 3m3i n ASP 155 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3m3i n GLY 156 N -0.36 -1.81 0.33 6.12 0.00 -1.25 -3.96 105.19 104.25 3m3i n GLY 156 Ca -0.05 -1.57 0.03 0.00 0.00 0.00 0.00 46.02 44.42 3m3i n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3i h ALA 157 N 0.00 1.58 -0.77 4.61 0.00 -2.01 -2.37 119.26 120.29 3m3i h ALA 157 Ca 0.00 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 3m3i h ALA 157 Cb 0.00 -0.24 -0.15 0.00 0.00 0.00 0.00 17.79 17.40 3m3i h ALA 157 CO 0.00 0.38 0.31 -0.25 0.00 0.00 0.00 179.25 179.68 3m3i n ASP 158 N -4.45 4.81 -2.81 0.00 8.00 -1.26 -4.65 116.55 116.19 3m3i n ASP 158 Ca 0.07 -3.26 -0.10 0.00 0.71 0.00 0.00 54.79 52.20 3m3i n ASP 158 Cb 0.06 -0.76 0.05 0.00 -0.02 0.00 0.00 41.12 40.45 3m3i n ASP 158 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3m3i n GLY 159 N -0.22 0.68 0.07 0.44 0.00 -0.89 -4.04 105.19 101.23 3m3i n GLY 159 Ca 0.43 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 3m3i n GLY 159 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3m3i n GLN 160 N 1.14 0.57 0.18 1.61 6.02 -1.25 -3.79 117.38 121.86 3m3i n GLN 160 Ca 0.10 0.08 0.10 0.00 -0.01 0.00 0.00 57.00 57.26 3m3i n GLN 160 Cb 0.64 -1.30 0.11 0.00 1.02 0.00 0.00 30.24 30.71 3m3i n GLN 160 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3m3i h ALA 161 N 0.07 0.85 0.00 -1.58 0.00 -1.93 -3.48 119.26 113.18 3m3i h ALA 161 Ca -0.33 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3m3i h ALA 161 Cb 1.54 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3m3i h ALA 161 CO -0.04 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.77 3m3i n GLY 162 N 1.15 0.66 3.77 0.00 0.00 -1.26 -4.66 105.19 104.85 3m3i n GLY 162 Ca 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 3m3i n GLY 162 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3m3i s TYR 163 N -2.00 -0.05 -0.02 1.61 -0.85 -1.26 -4.48 117.35 110.30 3m3i s TYR 163 Ca 0.00 -0.24 -0.01 0.00 -0.52 0.00 0.00 57.07 56.30 3m3i s TYR 163 Cb 0.00 0.64 0.01 0.00 0.38 0.00 0.00 41.96 42.99 3m3i s TYR 163 CO 0.00 -0.73 0.06 0.45 -1.52 0.00 0.00 175.55 173.81 3m3i s SER 164 N -3.12 -0.03 -0.12 -0.18 0.15 -0.02 -0.12 113.70 110.25 3m3i s SER 164 Ca 0.16 0.11 0.02 0.00 0.70 0.00 0.00 55.95 56.94 3m3i s SER 164 Cb -0.00 0.07 0.01 0.00 -1.71 0.00 0.00 66.02 64.39 3m3i s SER 164 CO 0.02 -0.06 -0.18 -0.22 1.20 0.00 0.00 173.24 174.00 3m3i s LEU 165 N 0.40 1.90 0.35 3.45 2.96 0.25 -1.45 118.68 126.54 3m3i s LEU 165 Ca -0.03 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 53.41 3m3i s LEU 165 Cb -0.04 -1.25 -0.03 0.00 0.50 0.00 0.00 46.19 45.36 3m3i s LEU 165 CO -0.01 0.05 0.15 0.68 -1.32 0.00 0.00 176.35 175.90 3m3i s VAL 166 N 0.91 0.46 -0.03 1.68 -7.23 -0.54 -1.80 120.40 113.85 3m3i s VAL 166 Ca -0.07 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.13 3m3i s VAL 166 Cb -0.15 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 3m3i s VAL 166 CO -0.02 0.00 -0.11 -0.44 -0.31 0.00 0.00 175.10 174.22 3m3i s SER 167 N -3.48 4.28 0.02 4.85 0.01 -0.47 -1.66 113.70 117.24 3m3i s SER 167 Ca 0.31 -0.17 0.05 0.00 1.31 0.00 0.00 55.95 57.45 3m3i s SER 167 Cb 0.04 -0.94 -0.03 0.00 0.21 0.00 0.00 66.02 65.29 3m3i s SER 167 CO 0.17 0.32 -0.13 0.00 0.41 0.00 0.00 173.24 174.02 3m3i s ILE 169 N -0.94 0.61 -0.16 0.00 1.01 -0.44 -1.38 121.20 119.89 3m3i s ILE 169 Ca 0.15 -0.44 -0.18 0.00 0.00 0.00 0.00 60.65 60.18 3m3i s ILE 169 Cb -0.11 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 3m3i s ILE 169 CO 0.06 -0.06 0.48 -0.69 0.00 0.00 0.00 174.94 174.74 3m3i s VAL 170 N 1.84 5.16 -0.18 2.92 1.01 -0.65 -0.46 120.40 130.03 3m3i s VAL 170 Ca 0.00 0.92 -0.06 0.00 0.00 0.00 0.00 61.98 62.84 3m3i s VAL 170 Cb -0.16 -3.81 0.09 0.00 0.00 0.00 0.00 36.38 32.50 3m3i s VAL 170 CO -0.07 0.25 0.36 -0.55 0.00 0.00 0.00 175.10 175.09 3m3i s SER 171 N 0.90 0.06 0.81 3.32 0.15 -0.79 -1.31 113.70 116.84 3m3i s SER 171 Ca 0.24 0.73 -0.14 0.00 0.70 0.00 0.00 55.95 57.49 3m3i s SER 171 Cb -0.15 1.08 0.05 0.00 -1.71 0.00 0.00 66.02 65.29 3m3i s SER 171 CO 0.10 -0.25 0.97 -2.65 1.20 0.00 0.00 173.24 172.61 3m3i n PRO 172 N 5.37 0.14 -1.15 5.44 -0.02 -1.26 -3.67 135.00 139.85 3m3i n PRO 172 Ca -0.07 0.12 -0.34 0.00 -2.02 0.00 0.00 63.50 61.18 3m3i n PRO 172 Cb 0.50 -2.25 0.11 0.00 -0.02 0.00 0.00 33.50 31.84 3m3i n PRO 172 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m3i n GLY 173 N 0.88 -0.38 3.71 -1.23 0.00 0.55 -4.73 105.19 104.00 3m3i n GLY 173 Ca 0.12 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 3m3i n GLY 173 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3m3i s PHE 174 N -2.06 3.35 -0.04 1.61 5.36 -1.26 -4.78 117.98 120.17 3m3i s PHE 174 Ca 0.71 1.16 0.02 0.00 -0.96 0.00 0.00 56.93 57.87 3m3i s PHE 174 Cb -0.30 -3.52 0.01 0.00 -0.34 0.00 0.00 43.02 38.87 3m3i s PHE 174 CO 0.52 -1.70 -0.08 0.34 -1.46 0.00 0.00 175.22 172.85 3m3i s ASP 175 N 1.10 1.17 0.62 6.13 2.15 -1.26 -4.95 116.67 121.63 3m3i s ASP 175 Ca 0.61 -0.18 0.31 0.00 0.43 0.00 0.00 52.55 53.72 3m3i s ASP 175 Cb -0.32 -0.46 1.76 0.00 -0.30 0.00 0.00 42.92 43.60 3m3i s ASP 175 CO 0.29 0.01 2.09 0.10 -0.17 0.00 0.00 175.17 177.50 3m3i h TYR 176 N 6.81 0.00 0.00 -5.34 -0.00 -1.96 0.10 116.97 116.59 3m3i h TYR 176 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.38 3m3i h TYR 176 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.90 3m3i h TYR 176 CO 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.63 3m3i h ARG 177 N 0.00 0.00 -0.05 0.10 3.08 -2.02 -2.70 114.38 112.79 3m3i h ARG 177 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3m3i h ARG 177 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3m3i h ARG 177 CO -0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.65 3m3i n ASP 178 N -3.07 1.73 -4.47 7.04 8.00 0.35 -4.84 116.55 121.29 3m3i n ASP 178 Ca 0.01 -1.60 -0.43 0.00 0.71 0.00 0.00 54.79 53.48 3m3i n ASP 178 Cb 0.36 -0.03 -0.08 0.00 -0.02 0.00 0.00 41.12 41.35 3m3i n ASP 178 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3m3i s PHE 179 N -1.95 3.15 -0.21 1.24 5.36 -1.02 -4.08 117.98 120.47 3m3i s PHE 179 Ca 0.36 -0.44 -0.08 0.00 -0.96 0.00 0.00 56.93 55.81 3m3i s PHE 179 Cb 0.20 -3.08 -0.04 0.00 -0.34 0.00 0.00 43.02 39.77 3m3i s PHE 179 CO 0.32 -0.79 0.08 -2.00 -1.46 0.00 0.00 175.22 171.37 3m3i s GLU 180 N 2.23 3.90 -0.03 10.12 2.12 -0.62 -4.97 118.70 131.44 3m3i s GLU 180 Ca 0.13 -0.37 0.01 0.00 0.36 0.00 0.00 54.97 55.10 3m3i s GLU 180 Cb -0.18 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 3m3i s GLU 180 CO 0.13 0.09 -0.03 -1.50 -0.54 0.00 0.00 175.26 173.42 3m3i s ILE 181 N 0.89 4.00 0.24 -3.70 1.10 -1.26 -1.33 121.20 121.14 3m3i s ILE 181 Ca 0.04 -0.55 0.11 0.00 -0.51 0.00 0.00 60.65 59.74 3m3i s ILE 181 Cb -0.14 -2.73 -0.05 0.00 0.15 0.00 0.00 42.46 39.70 3m3i s ILE 181 CO 0.03 0.46 -0.14 -0.36 -2.11 0.00 0.00 174.94 172.82 3m3i s PHE 182 N -0.98 2.45 0.29 3.50 0.40 -1.23 -5.05 117.98 117.37 3m3i s PHE 182 Ca 0.17 -0.29 0.04 0.00 -0.60 0.00 0.00 56.93 56.25 3m3i s PHE 182 Cb -0.11 -1.12 -0.02 0.00 0.51 0.00 0.00 43.02 42.27 3m3i s PHE 182 CO 0.07 0.62 0.44 0.95 0.70 0.00 0.00 175.22 177.99 3m3i s THR 183 N -2.16 4.89 0.21 0.64 -4.23 -1.26 -3.81 115.64 109.91 3m3i s THR 183 Ca 0.28 -0.86 -0.10 0.00 -1.18 0.00 0.00 61.69 59.83 3m3i s THR 183 Cb -0.07 -3.74 0.15 0.00 1.34 0.00 0.00 72.50 70.19 3m3i s THR 183 CO 0.15 -0.34 1.72 1.56 -0.54 0.00 0.00 174.62 177.17 3m3i h GLN 184 N 0.98 0.29 -0.41 3.99 4.20 -0.79 -1.99 115.11 121.38 3m3i h GLN 184 Ca -0.50 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.24 3m3i h GLN 184 Cb 1.24 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.91 3m3i h GLN 184 CO 0.59 0.19 0.18 0.00 -0.67 0.00 0.00 178.83 179.12 3m3i h ALA 185 N 1.45 0.51 -0.68 3.87 0.00 -1.89 0.66 119.26 123.17 3m3i h ALA 185 Ca 0.30 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3m3i h ALA 185 Cb 0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3m3i h ALA 185 CO -0.36 -0.19 0.34 0.37 0.00 0.00 0.00 179.25 179.40 3m3i h GLN 186 N 0.37 0.97 0.00 0.00 4.15 -1.85 -0.28 115.11 118.48 3m3i h GLN 186 Ca 0.18 -0.14 -0.18 0.00 0.77 0.00 0.00 58.65 59.29 3m3i h GLN 186 Cb 0.13 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 3m3i h GLN 186 CO -0.16 0.76 -0.84 -0.07 -1.93 0.00 0.00 178.83 176.60 3m3i h LEU 187 N 0.94 0.00 -1.19 -2.39 3.38 -1.10 -3.20 115.31 111.76 3m3i h LEU 187 Ca 0.24 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 3m3i h LEU 187 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3m3i h LEU 187 CO -0.03 0.84 -0.38 0.24 0.09 0.00 0.00 178.44 179.20 3m3i h MET 188 N 0.00 0.00 0.00 1.13 2.86 0.90 -0.23 114.93 119.59 3m3i h MET 188 Ca -0.01 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 3m3i h MET 188 Cb 1.61 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.25 3m3i h MET 188 CO 0.11 0.38 -0.60 0.93 1.06 0.00 0.00 176.91 178.79 3m3i h GLU 189 N 0.00 0.00 0.00 1.72 5.08 -1.09 -3.30 114.58 116.98 3m3i h GLU 189 Ca -0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.98 3m3i h GLU 189 Cb 0.74 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.93 3m3i h GLU 189 CO 0.05 0.60 -2.36 1.28 -1.00 0.00 0.00 179.01 177.58 3m3i n LEU 190 N -3.34 2.61 -3.16 1.33 4.77 -1.18 -4.84 117.00 113.20 3m3i n LEU 190 Ca 0.01 0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.78 3m3i n LEU 190 Cb 0.73 -0.80 -0.05 0.00 -2.33 0.00 0.00 43.42 40.98 3m3i n LEU 190 CO 0.41 0.78 -0.15 -1.22 -1.33 0.00 0.00 177.39 175.89 3m3i n TYR 191 N -3.47 1.09 0.27 -1.77 4.01 -0.11 -4.98 117.16 112.21 3m3i n TYR 191 Ca -0.44 -3.82 0.16 0.00 -0.16 0.00 0.00 57.90 53.63 3m3i n TYR 191 Cb 0.91 -0.43 0.67 0.00 -0.31 0.00 0.00 39.34 40.19 3m3i n TYR 191 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3m3i h PRO 192 N 3.32 0.00 0.00 -0.72 0.13 -1.67 -2.97 132.00 130.09 3m3i h PRO 192 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3m3i h PRO 192 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3m3i h PRO 192 CO 0.58 0.05 0.00 -0.56 -0.23 0.00 0.00 178.00 177.84 3m3i h GLN 193 N 0.00 0.00 -1.08 0.86 -0.00 -1.93 -1.46 115.11 111.50 3m3i h GLN 193 Ca -0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 58.65 58.11 3m3i h GLN 193 Cb 0.52 0.00 -0.26 0.00 -0.00 0.00 0.00 27.48 27.74 3m3i h GLN 193 CO 0.01 0.00 0.69 0.72 -0.00 0.00 0.00 178.83 180.25 3m3i n HIS 194 N -2.99 2.76 -0.14 0.06 8.25 -1.12 -4.71 115.22 117.33 3m3i n HIS 194 Ca -0.02 -2.36 -0.04 0.00 -0.26 0.00 0.00 57.72 55.04 3m3i n HIS 194 Cb 0.13 -1.16 0.04 0.00 1.12 0.00 0.00 29.99 30.13 3m3i n HIS 194 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3m3i h GLU 195 N 1.49 0.28 -0.64 -0.41 4.81 -1.48 -1.30 114.58 117.34 3m3i h GLU 195 Ca 0.54 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.82 3m3i h GLU 195 Cb 1.50 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.76 3m3i h GLU 195 CO 1.23 0.19 0.34 0.00 -0.73 0.00 0.00 179.01 180.03 3m3i h ALA 196 N 1.30 0.86 0.00 2.92 0.00 -1.86 -0.46 119.26 122.01 3m3i h ALA 196 Ca 0.21 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 3m3i h ALA 196 Cb 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3m3i h ALA 196 CO -0.23 -0.01 -0.73 -0.24 0.00 0.00 0.00 179.25 178.04 3m3i h VAL 197 N 0.62 1.34 -0.04 0.00 3.04 -1.81 -2.86 116.25 116.52 3m3i h VAL 197 Ca 0.30 -2.68 -0.01 0.00 -1.01 0.00 0.00 66.70 63.29 3m3i h VAL 197 Cb 0.22 2.53 -0.00 0.00 -2.01 0.00 0.00 31.29 32.03 3m3i h VAL 197 CO -0.20 0.72 -0.03 0.40 -1.01 0.00 0.00 177.57 177.44 3m3i h ILE 198 N 0.00 1.35 -0.20 3.17 2.04 -0.74 0.33 117.51 123.46 3m3i h ILE 198 Ca -0.01 -1.10 -0.03 0.00 1.00 0.00 0.00 64.86 64.72 3m3i h ILE 198 Cb 1.47 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.54 3m3i h ILE 198 CO 0.10 0.30 -0.02 0.11 0.00 0.00 0.00 178.15 178.63 3m3i h LYS 199 N -0.33 0.30 0.02 2.37 1.57 -1.19 -0.44 116.57 118.87 3m3i h LYS 199 Ca 0.01 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3m3i h LYS 199 Cb 0.50 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3m3i h LYS 199 CO 0.01 0.34 -0.01 0.37 -0.57 0.00 0.00 179.45 179.59 3m3i h GLN 200 N 0.29 -0.03 0.00 3.15 4.15 -1.43 -3.41 115.11 117.83 3m3i h GLN 200 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3m3i h GLN 200 Cb 0.24 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.94 3m3i h GLN 200 CO 0.01 0.54 -1.00 -1.33 -1.93 0.00 0.00 178.83 175.12 3m3i n MET 201 N -4.83 1.88 -3.73 1.69 2.81 0.10 -5.01 117.12 110.03 3m3i n MET 201 Ca -0.09 -0.05 -0.31 0.00 -1.81 0.00 0.00 57.70 55.44 3m3i n MET 201 Cb 0.29 -1.17 -0.04 0.00 -0.71 0.00 0.00 33.22 31.59 3m3i n MET 201 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3m3i s ALA 202 N -2.45 3.85 0.31 3.04 0.00 -0.18 -2.09 121.76 124.23 3m3i s ALA 202 Ca 0.01 -0.64 -0.29 0.00 0.00 0.00 0.00 51.96 51.03 3m3i s ALA 202 Cb 0.09 -2.05 -0.10 0.00 0.00 0.00 0.00 23.12 21.05 3m3i s ALA 202 CO 0.51 0.69 1.39 0.71 0.00 0.00 0.00 175.76 179.06 3m3i s TYR 203 N -1.64 2.94 0.24 0.00 2.02 -1.25 -4.62 117.35 115.04 3m3i s TYR 203 Ca 0.39 1.22 -0.01 0.00 -0.37 0.00 0.00 57.07 58.30 3m3i s TYR 203 Cb -0.12 -3.80 0.28 0.00 -0.40 0.00 0.00 41.96 37.92 3m3i s TYR 203 CO 0.26 -2.40 1.65 1.49 -1.57 0.00 0.00 175.55 174.98 3m3i h GLU 204 N 3.92 0.59 0.00 -0.62 4.81 -1.95 0.23 114.58 121.57 3m3i h GLU 204 Ca -0.48 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 58.50 3m3i h GLU 204 Cb 1.23 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3m3i h GLU 204 CO 0.70 0.82 0.00 0.25 -0.73 0.00 0.00 179.01 180.05