#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m3i s PRO 9 N 0.00 2.38 0.81 0.52 0.02 -1.26 -4.74 135.00 132.72 3m3i s PRO 9 Ca 0.00 1.34 -0.14 0.00 0.02 0.00 0.00 61.00 62.22 3m3i s PRO 9 Cb 0.00 -1.90 0.02 0.00 0.02 0.00 0.00 34.50 32.64 3m3i s PRO 9 CO 0.00 -1.57 0.76 1.04 -0.33 0.00 0.00 177.00 176.89 3m3i n GLN 10 N -3.05 0.12 -1.45 5.54 6.02 -1.26 -3.63 117.38 119.67 3m3i n GLN 10 Ca 0.10 0.10 -0.10 0.00 -0.01 0.00 0.00 57.00 57.09 3m3i n GLN 10 Cb 0.52 -2.07 -0.04 0.00 1.02 0.00 0.00 30.24 29.68 3m3i n GLN 10 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3m3i n ASN 11 N -1.66 -4.08 -4.41 1.08 5.15 -1.26 -5.00 115.26 105.08 3m3i n ASN 11 Ca 0.11 0.21 -0.30 0.00 -0.60 0.00 0.00 54.58 53.99 3m3i n ASN 11 Cb 0.51 -2.62 -0.13 0.00 -0.53 0.00 0.00 39.78 37.01 3m3i n ASN 11 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3m3i s THR 12 N -2.40 2.51 0.13 -0.44 -4.23 -1.24 -4.92 115.64 105.04 3m3i s THR 12 Ca 0.00 -1.36 -0.16 0.00 -1.18 0.00 0.00 61.69 58.98 3m3i s THR 12 Cb 0.00 -2.05 0.05 0.00 1.34 0.00 0.00 72.50 71.85 3m3i s THR 12 CO 0.00 0.29 1.03 0.00 -0.54 0.00 0.00 174.62 175.40 3m3i n ALA 13 N 1.47 -0.26 0.19 3.99 0.00 -1.26 -1.17 120.51 123.46 3m3i n ALA 13 Ca -0.17 0.61 0.06 0.00 0.00 0.00 0.00 53.44 53.95 3m3i n ALA 13 Cb 0.52 -0.19 0.35 0.00 0.00 0.00 0.00 19.45 20.13 3m3i n ALA 13 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3m3i h GLU 14 N 0.00 0.00 0.31 0.00 4.57 -1.96 0.13 114.58 117.63 3m3i h GLU 14 Ca 0.17 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.33 3m3i h GLU 14 Cb 0.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 3m3i h GLU 14 CO -0.64 0.36 -0.15 0.35 -1.18 0.00 0.00 179.01 177.75 3m3i h PHE 15 N 0.00 -0.38 -0.47 0.92 3.04 -1.35 -2.04 116.94 116.65 3m3i h PHE 15 Ca -0.00 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.83 3m3i h PHE 15 Cb 0.88 0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.50 3m3i h PHE 15 CO 0.00 -0.18 -0.13 -1.49 -2.02 0.00 0.00 178.31 174.49 3m3i h TRP 16 N -0.50 1.03 -0.75 0.41 -0.00 -0.62 0.11 115.95 115.64 3m3i h TRP 16 Ca -0.04 -0.23 0.02 0.00 -0.00 0.00 0.00 58.89 58.64 3m3i h TRP 16 Cb 0.37 -0.25 -0.04 0.00 -0.00 0.00 0.00 29.16 29.24 3m3i h TRP 16 CO -0.03 1.01 0.49 0.82 -0.00 0.00 0.00 178.44 180.72 3m3i h ILE 17 N 0.76 1.16 0.11 1.49 2.04 -0.83 -1.42 117.51 120.82 3m3i h ILE 17 Ca 0.12 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3m3i h ILE 17 Cb 0.68 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3m3i h ILE 17 CO 0.05 0.18 -0.05 0.50 0.00 0.00 0.00 178.15 178.82 3m3i h LYS 18 N 0.97 -0.15 0.00 2.37 3.64 -1.17 -0.62 116.57 121.61 3m3i h LYS 18 Ca 0.29 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.59 3m3i h LYS 18 Cb -0.06 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3m3i h LYS 18 CO -0.08 0.32 -0.38 0.00 -2.27 0.00 0.00 179.45 177.04 3m3i h ARG 19 N -0.73 0.00 -0.23 1.90 3.08 -0.74 -2.59 114.38 115.08 3m3i h ARG 19 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3m3i h ARG 19 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3m3i h ARG 19 CO 0.03 0.38 0.00 1.28 -1.07 0.00 0.00 179.97 180.59 3m3i n LEU 20 N -3.36 3.22 -3.78 3.04 4.77 -0.54 -4.99 117.00 115.36 3m3i n LEU 20 Ca 0.01 -1.28 -0.23 0.00 -0.03 0.00 0.00 56.01 54.47 3m3i n LEU 20 Cb 0.58 -0.14 0.02 0.00 -2.33 0.00 0.00 43.42 41.56 3m3i n LEU 20 CO 0.37 0.63 -0.07 0.00 -1.33 0.00 0.00 177.39 176.99 3m3i n GLN 21 N 1.40 -4.69 -2.56 3.23 6.02 -0.96 -4.80 117.38 115.01 3m3i n GLN 21 Ca 0.17 0.58 -0.40 0.00 -0.01 0.00 0.00 57.00 57.33 3m3i n GLN 21 Cb 0.59 -5.11 -0.05 0.00 1.02 0.00 0.00 30.24 26.70 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 -6.82 4.56 0.27 1.08 1.43 -0.28 -4.73 118.68 114.19 3m3i s LEU 22 Ca 0.11 2.13 0.06 0.00 -1.03 0.00 0.00 54.13 55.40 3m3i s LEU 22 Cb -0.05 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.49 3m3i s LEU 22 CO 0.83 -0.09 -0.04 0.68 0.23 0.00 0.00 176.35 177.96 3m3i s VAL 23 N -0.89 1.53 0.21 -1.59 -7.23 -0.05 -4.83 120.40 107.55 3m3i s VAL 23 Ca 0.45 -2.10 -0.31 0.00 -1.81 0.00 0.00 61.98 58.21 3m3i s VAL 23 Cb -0.30 -2.45 -0.11 0.00 0.56 0.00 0.00 36.38 34.09 3m3i s VAL 23 CO 0.37 -0.29 1.58 -2.84 -0.31 0.00 0.00 175.10 173.61 3m3i s PRO 24 N -3.76 4.19 0.10 4.82 0.02 -1.26 -0.81 135.00 138.30 3m3i s PRO 24 Ca 0.30 2.44 -0.14 0.00 0.02 0.00 0.00 61.00 63.62 3m3i s PRO 24 Cb 0.04 -3.11 -0.06 0.00 0.02 0.00 0.00 34.50 31.39 3m3i s PRO 24 CO 0.12 -0.61 0.50 -1.58 -0.33 0.00 0.00 177.00 175.10 3m3i s HIS 25 N 0.73 3.64 0.43 6.54 2.46 -0.25 -4.83 115.29 124.01 3m3i s HIS 25 Ca 0.68 1.02 0.19 0.00 0.47 0.00 0.00 55.06 57.41 3m3i s HIS 25 Cb -0.45 -2.33 1.11 0.00 -0.13 0.00 0.00 32.58 30.78 3m3i s HIS 25 CO 0.37 0.49 1.85 -1.35 -2.47 0.00 0.00 174.74 173.64 3m3i h PRO 26 N 3.85 0.36 0.00 2.88 0.11 -1.95 0.50 132.00 137.75 3m3i h PRO 26 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3m3i h PRO 26 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3m3i h PRO 26 CO 0.65 0.24 0.00 1.05 -0.21 0.00 0.00 178.00 179.73 3m3i h GLU 27 N 0.38 0.00 0.00 1.05 4.11 -1.94 -3.50 114.58 114.68 3m3i h GLU 27 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.90 3m3i h GLU 27 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3m3i h GLU 27 CO -0.17 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.32 3m3i n GLY 28 N 1.04 2.08 2.46 1.06 0.00 0.17 -0.27 105.19 111.73 3m3i n GLY 28 Ca 0.05 -2.15 0.05 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.15 -1.99 3.54 -0.02 0.00 -1.17 -4.08 105.19 100.32 3m3i n GLY 29 Ca 0.00 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.04 2.67 0.23 1.61 1.51 0.10 -1.09 117.35 121.34 3m3i s TYR 30 Ca 0.00 -0.19 -0.11 0.00 -1.01 0.00 0.00 57.07 55.76 3m3i s TYR 30 Cb 0.00 -1.43 -0.01 0.00 -0.11 0.00 0.00 41.96 40.42 3m3i s TYR 30 CO 0.00 0.39 0.41 1.52 -1.11 0.00 0.00 175.55 176.76 3m3i s TYR 31 N -1.14 0.44 -0.08 2.71 -0.85 0.01 -0.93 117.35 117.51 3m3i s TYR 31 Ca 0.19 -0.78 -0.19 0.00 -0.52 0.00 0.00 57.07 55.77 3m3i s TYR 31 Cb -0.11 0.08 0.04 0.00 0.38 0.00 0.00 41.96 42.35 3m3i s TYR 31 CO 0.11 -0.91 0.45 -1.54 -1.52 0.00 0.00 175.55 172.14 3m3i s SER 32 N -3.02 -0.41 -0.09 -0.18 1.04 -0.75 -0.87 113.70 109.41 3m3i s SER 32 Ca 0.23 0.55 -0.25 0.00 0.48 0.00 0.00 55.95 56.97 3m3i s SER 32 Cb 0.01 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 66.71 3m3i s SER 32 CO 0.08 -0.37 0.77 -1.61 0.98 0.00 0.00 173.24 173.08 3m3i s GLU 33 N -0.70 4.40 -0.06 4.02 2.02 -1.26 -0.74 118.70 126.39 3m3i s GLU 33 Ca -0.08 0.98 -0.05 0.00 0.02 0.00 0.00 54.97 55.84 3m3i s GLU 33 Cb -0.03 -3.49 -0.02 0.00 0.10 0.00 0.00 34.13 30.69 3m3i s GLU 33 CO 0.04 -0.08 -0.10 0.28 0.02 0.00 0.00 175.26 175.42 3m3i n VAL 34 N 4.12 0.54 -4.00 2.63 0.31 -0.70 -4.95 118.33 116.28 3m3i n VAL 34 Ca 0.01 0.38 -0.09 0.00 -0.01 0.00 0.00 64.34 64.64 3m3i n VAL 34 Cb 0.50 -1.82 -0.11 0.00 -0.91 0.00 0.00 33.84 31.51 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 -1.58 0.14 -0.13 2.52 -7.23 -1.22 -5.00 120.40 107.89 3m3i s VAL 35 Ca -0.08 -1.13 0.01 0.00 -1.81 0.00 0.00 61.98 58.97 3m3i s VAL 35 Cb 0.01 -0.58 0.02 0.00 0.56 0.00 0.00 36.38 36.39 3m3i s VAL 35 CO 0.12 -0.62 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.02 3m3i s ARG 36 N -2.08 2.17 0.09 4.82 0.52 -1.26 -0.82 118.95 122.38 3m3i s ARG 36 Ca -0.10 -0.52 -0.35 0.00 -0.52 0.00 0.00 55.73 54.24 3m3i s ARG 36 Cb -0.05 -1.97 -0.18 0.00 0.52 0.00 0.00 34.95 33.26 3m3i s ARG 36 CO -0.03 -0.19 0.98 0.45 0.02 0.00 0.00 175.30 176.53 3m3i n SER 37 N 4.63 0.13 0.15 0.23 2.88 0.08 -4.86 113.62 116.86 3m3i n SER 37 Ca -0.17 1.15 0.01 0.00 -1.33 0.00 0.00 58.87 58.52 3m3i n SER 37 Cb 0.50 -1.01 0.22 0.00 -0.75 0.00 0.00 64.21 63.17 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 2.74 1.00 -2.71 -1.46 0.00 -1.99 -3.41 119.26 113.43 3m3i h ALA 38 Ca -0.44 -0.49 -0.53 0.00 0.00 0.00 0.00 54.91 53.45 3m3i h ALA 38 Cb 1.41 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 3m3i h ALA 38 CO 0.65 0.68 0.16 -1.58 0.00 0.00 0.00 179.25 179.16 3m3i s HIS 39 N -3.64 3.87 0.08 0.00 5.65 -1.26 -4.99 115.29 115.00 3m3i s HIS 39 Ca -0.01 1.58 0.05 0.00 0.25 0.00 0.00 55.06 56.93 3m3i s HIS 39 Cb 0.12 -2.76 -0.04 0.00 -1.18 0.00 0.00 32.58 28.72 3m3i s HIS 39 CO 0.74 0.47 -0.04 0.15 -0.65 0.00 0.00 174.74 175.42 3m3i s LYS 40 N -0.93 2.42 0.18 2.88 1.02 -1.26 -0.82 119.74 123.23 3m3i s LYS 40 Ca 0.36 -0.88 -0.02 0.00 0.02 0.00 0.00 55.97 55.45 3m3i s LYS 40 Cb -0.22 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 3m3i s LYS 40 CO 0.25 0.54 0.13 0.14 -0.92 0.00 0.00 175.35 175.49 3m3i s VAL 41 N -1.24 0.03 -0.17 3.17 -7.23 0.12 -4.83 120.40 110.26 3m3i s VAL 41 Ca 0.23 -1.93 -0.21 0.00 -1.81 0.00 0.00 61.98 58.27 3m3i s VAL 41 Cb -0.11 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.46 3m3i s VAL 41 CO 0.15 -0.14 0.62 -1.81 -0.31 0.00 0.00 175.10 173.61 3m3i s ASP 42 N -3.12 6.72 0.49 4.85 1.01 -1.26 -0.50 116.67 124.86 3m3i s ASP 42 Ca 0.33 0.87 0.00 0.00 0.71 0.00 0.00 52.55 54.47 3m3i s ASP 42 Cb 0.07 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.65 3m3i s ASP 42 CO 0.09 -0.22 0.00 -0.46 0.21 0.00 0.00 175.17 174.79 3m3i n ASN 43 N 4.72 0.00 0.27 0.27 6.94 -0.10 -4.87 115.26 122.48 3m3i n ASN 43 Ca -0.02 -0.58 0.16 0.00 -0.02 0.00 0.00 54.58 54.12 3m3i n ASN 43 Cb 0.50 0.00 0.63 0.00 -2.36 0.00 0.00 39.78 38.55 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 -0.56 -3.83 3.07 -1.88 -2.47 114.58 108.91 3m3i h GLU 44 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3m3i h GLU 44 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3m3i h GLU 44 CO 0.00 0.02 0.00 0.39 -1.40 0.00 0.00 179.01 178.02 3m3i n GLU 45 N -3.12 2.80 -0.66 2.33 1.02 -1.26 -4.98 120.64 116.77 3m3i n GLU 45 Ca 0.01 -2.39 0.00 0.00 -0.02 0.00 0.00 57.16 54.75 3m3i n GLU 45 Cb 0.33 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 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 1.14 0.73 3.88 0.62 0.00 -0.93 -5.05 105.19 105.58 3m3i n GLY 46 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.38 6.58 -0.13 1.61 0.01 -1.26 -4.72 114.94 114.65 3m3i s ASN 47 Ca 0.00 0.82 -0.29 0.00 -0.71 0.00 0.00 52.86 52.67 3m3i s ASN 47 Cb 0.00 -2.18 -0.01 0.00 0.41 0.00 0.00 41.25 39.47 3m3i s ASN 47 CO 0.00 -0.04 1.02 -0.13 -1.51 0.00 0.00 177.10 176.44 3m3i s ARG 48 N -2.79 4.38 0.04 -0.60 1.81 -1.26 -0.92 118.95 119.61 3m3i s ARG 48 Ca 0.45 1.39 0.00 0.00 -1.72 0.00 0.00 55.73 55.86 3m3i s ARG 48 Cb -0.11 -3.57 -0.03 0.00 -0.45 0.00 0.00 34.95 30.79 3m3i s ARG 48 CO 0.22 -0.39 -0.04 1.03 -0.68 0.00 0.00 175.30 175.44 3m3i s ARG 49 N 2.30 0.49 0.49 3.54 1.81 0.34 -4.95 118.95 122.97 3m3i s ARG 49 Ca 0.48 -0.91 -0.22 0.00 -1.72 0.00 0.00 55.73 53.35 3m3i s ARG 49 Cb -0.18 0.06 -0.08 0.00 -0.45 0.00 0.00 34.95 34.30 3m3i s ARG 49 CO 0.15 -0.05 1.01 0.72 -0.68 0.00 0.00 175.30 176.45 3m3i n HIS 50 N 0.91 1.12 0.14 -0.53 8.25 -1.26 0.16 115.22 124.00 3m3i n HIS 50 Ca -0.19 0.50 0.15 0.00 -0.26 0.00 0.00 57.72 57.92 3m3i n HIS 50 Cb 0.58 -2.21 0.71 0.00 1.12 0.00 0.00 29.99 30.18 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 1.22 2.16 -1.77 -1.41 0.00 -1.21 0.34 119.26 118.59 3m3i h ALA 51 Ca -0.46 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.53 3m3i h ALA 51 Cb 1.34 0.02 -0.21 0.00 0.00 0.00 0.00 17.79 18.95 3m3i h ALA 51 CO 0.55 -0.33 0.52 1.52 0.00 0.00 0.00 179.25 181.51 3m3i s TYR 52 N -4.95 -0.37 -0.00 0.00 -0.85 -1.26 -3.97 117.35 105.95 3m3i s TYR 52 Ca -0.05 0.52 0.04 0.00 -0.52 0.00 0.00 57.07 57.06 3m3i s TYR 52 Cb 0.18 0.47 -0.01 0.00 0.38 0.00 0.00 41.96 42.98 3m3i s TYR 52 CO 0.67 -0.41 -0.12 0.95 -1.52 0.00 0.00 175.55 175.13 3m3i s THR 53 N -1.70 0.92 0.08 -3.49 -4.23 -0.82 -0.74 115.64 105.66 3m3i s THR 53 Ca -0.00 -0.55 0.10 0.00 -1.18 0.00 0.00 61.69 60.06 3m3i s THR 53 Cb -0.01 -0.77 -0.03 0.00 1.34 0.00 0.00 72.50 73.03 3m3i s THR 53 CO -0.01 0.22 -0.26 0.42 -0.54 0.00 0.00 174.62 174.45 3m3i s THR 54 N -0.34 2.27 0.33 3.99 -4.23 -0.00 -1.39 115.64 116.26 3m3i s THR 54 Ca 0.04 -1.53 0.03 0.00 -1.18 0.00 0.00 61.69 59.06 3m3i s THR 54 Cb -0.05 -1.94 -0.06 0.00 1.34 0.00 0.00 72.50 71.79 3m3i s THR 54 CO -0.00 0.24 0.07 0.27 -0.54 0.00 0.00 174.62 174.67 3m3i s ILE 55 N -0.93 1.00 -0.13 2.99 -4.36 0.10 -1.72 121.20 118.15 3m3i s ILE 55 Ca 0.13 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.47 3m3i s ILE 55 Cb -0.10 -2.70 -0.04 0.00 1.25 0.00 0.00 42.46 40.87 3m3i s ILE 55 CO 0.04 0.00 0.07 -0.31 0.24 0.00 0.00 174.94 174.98 3m3i s TYR 56 N -3.36 3.33 -0.04 1.37 2.02 0.08 -2.45 117.35 118.30 3m3i s TYR 56 Ca 0.35 0.25 0.02 0.00 -0.37 0.00 0.00 57.07 57.32 3m3i s TYR 56 Cb 0.08 -1.94 0.01 0.00 -0.40 0.00 0.00 41.96 39.71 3m3i s TYR 56 CO 0.15 0.44 -0.09 0.12 -1.57 0.00 0.00 175.55 174.60 3m3i s PHE 57 N -0.48 1.06 -0.10 2.71 5.36 -0.64 -1.82 117.98 124.07 3m3i s PHE 57 Ca 0.10 -0.32 0.02 0.00 -0.96 0.00 0.00 56.93 55.77 3m3i s PHE 57 Cb -0.12 -0.80 0.01 0.00 -0.34 0.00 0.00 43.02 41.77 3m3i s PHE 57 CO 0.02 -0.18 -0.16 -1.17 -1.46 0.00 0.00 175.22 172.27 3m3i s LEU 58 N 0.55 1.75 0.02 6.12 0.20 -0.11 -0.93 118.68 126.28 3m3i s LEU 58 Ca -0.09 -0.43 0.04 0.00 0.69 0.00 0.00 54.13 54.34 3m3i s LEU 58 Cb -0.13 -1.09 -0.03 0.00 -0.43 0.00 0.00 46.19 44.51 3m3i s LEU 58 CO 0.01 0.03 -0.09 0.00 -0.29 0.00 0.00 176.35 176.01 3m3i s THR 60 N -1.00 0.92 0.33 0.00 -4.23 -1.19 -1.37 115.64 109.10 3m3i s THR 60 Ca 0.17 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 58.72 3m3i s THR 60 Cb -0.11 -2.61 0.14 0.00 1.34 0.00 0.00 72.50 71.26 3m3i s THR 60 CO 0.08 -0.10 1.85 -0.65 -0.54 0.00 0.00 174.62 175.26 3m3i h PRO 61 N 2.31 0.45 -0.00 3.99 0.11 -1.78 -2.82 132.00 134.27 3m3i h PRO 61 Ca -0.39 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3m3i h PRO 61 Cb 1.24 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3m3i h PRO 61 CO 0.65 0.55 -0.04 0.39 -0.21 0.00 0.00 178.00 179.34 3m3i n GLU 62 N -4.24 0.14 -3.20 1.05 1.02 -1.26 -4.49 120.64 109.66 3m3i n GLU 62 Ca 0.01 -0.01 -0.21 0.00 -0.02 0.00 0.00 57.16 56.92 3m3i n GLU 62 Cb 0.29 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.14 3m3i n GLU 62 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3m3i n SER 63 N -1.42 -1.03 -4.82 1.62 2.88 -1.07 -5.03 113.62 104.75 3m3i n SER 63 Ca 0.09 -2.59 -0.31 0.00 -1.33 0.00 0.00 58.87 54.73 3m3i n SER 63 Cb 0.31 -0.01 0.05 0.00 -0.75 0.00 0.00 64.21 63.81 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 -0.02 2.92 -0.22 -1.46 0.04 -1.22 -3.03 135.00 132.02 3m3i s PRO 64 Ca 0.33 0.95 -0.23 0.00 0.04 0.00 0.00 61.00 62.09 3m3i s PRO 64 Cb 0.07 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 3m3i s PRO 64 CO -0.16 -1.11 0.74 0.45 0.04 0.00 0.00 177.00 176.97 3m3i s SER 65 N -3.79 6.78 0.67 6.66 0.15 -0.39 -3.39 113.70 120.39 3m3i s SER 65 Ca 0.58 0.96 -0.10 0.00 0.70 0.00 0.00 55.95 58.09 3m3i s SER 65 Cb -0.14 -2.40 0.02 0.00 -1.71 0.00 0.00 66.02 61.79 3m3i s SER 65 CO 0.55 -0.40 1.03 -1.00 1.20 0.00 0.00 173.24 174.62 3m3i s HIS 66 N 2.39 3.27 0.20 3.44 3.76 0.63 -1.41 115.29 127.57 3m3i s HIS 66 Ca 0.33 0.89 -0.32 0.00 -0.15 0.00 0.00 55.06 55.80 3m3i s HIS 66 Cb -0.16 -2.98 -0.13 0.00 1.11 0.00 0.00 32.58 30.42 3m3i s HIS 66 CO 0.09 -1.09 1.61 1.28 -0.85 0.00 0.00 174.74 175.78 3m3i n LEU 67 N -2.88 3.56 0.00 0.89 4.77 -0.22 -4.52 117.00 118.60 3m3i n LEU 67 Ca 0.06 1.09 -0.06 0.00 -0.03 0.00 0.00 56.01 57.07 3m3i n LEU 67 Cb 0.58 -1.50 0.01 0.00 -2.33 0.00 0.00 43.42 40.18 3m3i n LEU 67 CO 0.56 -0.09 0.30 0.00 -1.33 0.00 0.00 177.39 176.82 3m3i n HIS 68 N 3.27 -1.75 -3.65 -1.77 1.44 -0.59 -2.89 115.22 109.28 3m3i n HIS 68 Ca 0.15 -1.19 -0.15 0.00 -2.01 0.00 0.00 57.72 54.52 3m3i n HIS 68 Cb 0.32 0.55 -0.08 0.00 0.12 0.00 0.00 29.99 30.90 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 -2.11 0.80 0.17 -1.40 3.52 -0.25 -0.92 118.95 118.75 3m3i s ARG 69 Ca 0.11 0.36 0.01 0.00 -0.13 0.00 0.00 55.73 56.08 3m3i s ARG 69 Cb -0.03 0.38 -0.00 0.00 -1.56 0.00 0.00 34.95 33.74 3m3i s ARG 69 CO 0.08 -0.19 0.02 1.28 -0.81 0.00 0.00 175.30 175.68 3m3i n LEU 70 N 1.77 0.00 -0.10 -0.88 4.77 -1.26 -2.39 117.00 118.90 3m3i n LEU 70 Ca -0.17 -1.16 0.02 0.00 -0.03 0.00 0.00 56.01 54.66 3m3i n LEU 70 Cb 0.56 0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.91 3m3i n LEU 70 CO 0.17 -0.17 0.25 0.00 -1.33 0.00 0.00 177.39 176.30 3m3i s SER 72 N -0.44 3.35 0.24 0.00 0.01 -1.26 -4.62 113.70 110.98 3m3i s SER 72 Ca 0.03 -0.97 -0.30 0.00 1.31 0.00 0.00 55.95 56.03 3m3i s SER 72 Cb 0.03 -0.26 -0.10 0.00 0.21 0.00 0.00 66.02 65.90 3m3i s SER 72 CO 0.05 0.03 1.38 -1.81 0.41 0.00 0.00 173.24 173.31 3m3i s ASP 73 N -3.16 6.75 -0.14 2.44 -0.00 -1.25 -3.69 116.67 117.62 3m3i s ASP 73 Ca 0.25 2.59 -0.01 0.00 -0.00 0.00 0.00 52.55 55.38 3m3i s ASP 73 Cb -0.05 -2.62 -0.02 0.00 -0.00 0.00 0.00 42.92 40.23 3m3i s ASP 73 CO 0.12 -0.62 -0.12 -0.70 -0.00 0.00 0.00 175.17 173.85 3m3i s GLU 74 N -0.49 3.43 -0.19 8.23 2.12 -0.89 -1.67 118.70 129.24 3m3i s GLU 74 Ca 0.57 -0.66 -0.05 0.00 0.36 0.00 0.00 54.97 55.19 3m3i s GLU 74 Cb -0.40 -2.68 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 3m3i s GLU 74 CO 0.43 0.21 0.01 0.99 -0.54 0.00 0.00 175.26 176.36 3m3i s THR 75 N 0.38 4.13 -0.11 -1.70 2.01 -0.17 -0.30 115.64 119.88 3m3i s THR 75 Ca -0.10 -0.26 -0.13 0.00 0.31 0.00 0.00 61.69 61.51 3m3i s THR 75 Cb -0.16 -2.86 -0.05 0.00 0.01 0.00 0.00 72.50 69.45 3m3i s THR 75 CO 0.05 0.44 0.31 0.26 -0.69 0.00 0.00 174.62 175.00 3m3i s TRP 76 N 0.77 3.56 -0.12 4.92 0.52 0.27 -2.06 118.94 126.80 3m3i s TRP 76 Ca 0.01 0.71 -0.01 0.00 0.02 0.00 0.00 56.10 56.84 3m3i s TRP 76 Cb -0.14 -2.28 0.03 0.00 -1.15 0.00 0.00 33.47 29.93 3m3i s TRP 76 CO 0.02 0.42 -0.07 -1.64 0.02 0.00 0.00 176.95 175.71 3m3i s MET 77 N -0.19 1.45 0.34 4.98 -1.94 -0.19 -1.54 119.30 122.20 3m3i s MET 77 Ca 0.19 -0.28 -0.29 0.00 -1.71 0.00 0.00 55.69 53.60 3m3i s MET 77 Cb -0.14 -1.62 -0.11 0.00 2.01 0.00 0.00 34.83 34.97 3m3i s MET 77 CO 0.07 -0.30 1.46 -0.47 -0.01 0.00 0.00 175.02 175.77 3m3i s TYR 78 N 1.71 2.77 0.10 -0.03 6.14 -0.43 -1.87 117.35 125.75 3m3i s TYR 78 Ca 0.04 1.14 0.00 0.00 0.64 0.00 0.00 57.07 58.89 3m3i s TYR 78 Cb -0.13 -3.93 0.00 0.00 0.42 0.00 0.00 41.96 38.32 3m3i s TYR 78 CO -0.08 -2.80 0.00 0.72 0.64 0.00 0.00 175.55 174.03 3m3i n HIS 79 N 1.06 -0.57 -3.82 4.97 8.25 -0.87 -4.90 115.22 119.35 3m3i n HIS 79 Ca 0.03 0.10 -0.10 0.00 -0.26 0.00 0.00 57.72 57.49 3m3i n HIS 79 Cb 0.40 0.21 -0.05 0.00 1.12 0.00 0.00 29.99 31.66 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 -2.00 -0.60 0.00 -1.41 0.00 -1.05 -5.02 121.76 111.69 3m3i s ALA 80 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.50 3m3i s ALA 80 Cb 0.00 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.97 3m3i s ALA 80 CO 0.00 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.43 3m3i n GLY 81 N -0.29 -0.71 3.74 0.00 0.00 -1.26 -1.38 105.19 105.29 3m3i n GLY 81 Ca -0.09 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 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 3.94 0.43 1.61 1.01 0.29 -4.92 116.67 115.02 3m3i s ASP 82 Ca 0.00 1.68 -0.25 0.00 0.71 0.00 0.00 52.55 54.69 3m3i s ASP 82 Cb 0.00 -2.36 -0.08 0.00 1.01 0.00 0.00 42.92 41.49 3m3i s ASP 82 CO 0.00 -2.37 1.27 -2.16 0.21 0.00 0.00 175.17 172.12 3m3i s PRO 83 N -4.90 3.86 -0.26 8.23 0.04 -1.26 -4.30 135.00 136.42 3m3i s PRO 83 Ca 0.62 2.06 -0.22 0.00 0.04 0.00 0.00 61.00 63.51 3m3i s PRO 83 Cb -0.18 -2.64 -0.01 0.00 0.04 0.00 0.00 34.50 31.70 3m3i s PRO 83 CO 0.57 -0.55 0.71 -1.17 0.04 0.00 0.00 177.00 176.59 3m3i s LEU 84 N -2.63 4.07 -0.28 -3.56 2.96 -0.83 -4.75 118.68 113.66 3m3i s LEU 84 Ca 0.59 0.80 -0.28 0.00 -0.22 0.00 0.00 54.13 55.03 3m3i s LEU 84 Cb -0.36 -2.98 0.01 0.00 0.50 0.00 0.00 46.19 43.36 3m3i s LEU 84 CO 0.45 -0.44 0.99 -1.58 -1.32 0.00 0.00 176.35 174.45 3m3i s GLN 85 N 2.66 4.13 -0.23 1.98 0.74 -0.35 -1.17 119.66 127.41 3m3i s GLN 85 Ca 0.29 1.08 -0.15 0.00 0.05 0.00 0.00 55.36 56.63 3m3i s GLN 85 Cb -0.15 -3.69 -0.04 0.00 1.10 0.00 0.00 33.01 30.23 3m3i s GLN 85 CO 0.09 -0.73 0.38 -0.51 -0.55 0.00 0.00 175.29 173.96 3m3i s LEU 86 N 3.29 4.11 -0.35 3.68 1.43 0.46 -1.45 118.68 129.85 3m3i s LEU 86 Ca 0.42 0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 53.81 3m3i s LEU 86 Cb -0.14 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.62 3m3i s LEU 86 CO 0.11 -0.10 0.22 -1.00 0.23 0.00 0.00 176.35 175.81 3m3i s HIS 87 N 1.54 3.22 -0.18 0.29 3.76 -0.70 -0.87 115.29 122.36 3m3i s HIS 87 Ca 0.17 -0.52 -0.01 0.00 -0.15 0.00 0.00 55.06 54.55 3m3i s HIS 87 Cb -0.15 -2.46 0.05 0.00 1.11 0.00 0.00 32.58 31.13 3m3i s HIS 87 CO 0.08 -0.48 -0.01 0.08 -0.85 0.00 0.00 174.74 173.56 3m3i s VAL 88 N 1.66 0.87 -0.45 -0.90 1.01 0.45 -1.31 120.40 121.74 3m3i s VAL 88 Ca 0.05 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 3m3i s VAL 88 Cb -0.18 -1.20 0.04 0.00 0.00 0.00 0.00 36.38 35.04 3m3i s VAL 88 CO 0.09 -0.04 0.41 -0.63 0.00 0.00 0.00 175.10 174.93 3m3i s ILE 89 N 1.71 5.15 0.48 2.22 1.01 0.23 0.19 121.20 132.19 3m3i s ILE 89 Ca -0.01 -0.67 -0.20 0.00 0.00 0.00 0.00 60.65 59.77 3m3i s ILE 89 Cb -0.16 -4.07 -0.09 0.00 0.01 0.00 0.00 42.46 38.15 3m3i s ILE 89 CO -0.07 -0.49 1.02 -0.76 0.00 0.00 0.00 174.94 174.64 3m3i s LEU 90 N 1.93 3.85 -0.01 2.97 1.43 -0.33 -1.42 118.68 127.10 3m3i s LEU 90 Ca 0.08 1.88 -0.24 0.00 -1.03 0.00 0.00 54.13 54.82 3m3i s LEU 90 Cb -0.20 -4.56 -0.17 0.00 0.03 0.00 0.00 46.19 41.30 3m3i s LEU 90 CO 0.10 -0.72 1.15 0.50 0.23 0.00 0.00 176.35 177.61 3m3i h LYS 91 N 1.58 -0.32 0.00 1.70 3.64 -1.90 -3.04 116.57 118.24 3m3i h LYS 91 Ca -0.49 0.02 -0.58 0.00 -1.27 0.00 0.00 60.65 58.33 3m3i h LYS 91 Cb 1.21 0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 32.98 3m3i h LYS 91 CO 0.59 0.04 -0.47 -0.25 -2.27 0.00 0.00 179.45 177.09 3m3i n ASP 92 N -5.06 1.65 -4.53 4.20 8.00 -1.26 -1.71 116.55 117.85 3m3i n ASP 92 Ca -0.09 -3.20 -0.13 0.00 0.71 0.00 0.00 54.79 52.08 3m3i n ASP 92 Cb 0.26 0.91 -0.10 0.00 -0.02 0.00 0.00 41.12 42.17 3m3i n ASP 92 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3m3i n PRO 93 N -0.99 0.25 -0.27 -0.24 -0.02 -1.26 -4.70 135.00 127.76 3m3i n PRO 93 Ca -0.09 -1.19 0.07 0.00 -2.02 0.00 0.00 63.50 60.27 3m3i n PRO 93 Cb 0.62 -3.50 0.19 0.00 -0.02 0.00 0.00 33.50 30.79 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 7.98 2.60 0.20 -0.52 6.02 -1.26 -4.37 117.38 128.03 3m3i n GLN 94 Ca 0.41 -2.50 0.08 0.00 -0.01 0.00 0.00 57.00 54.99 3m3i n GLN 94 Cb 0.44 -1.58 0.37 0.00 1.02 0.00 0.00 30.24 30.50 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 1.33 0.00 -0.44 1.08 3.32 -1.96 -3.32 116.42 116.42 3m3i h ASP 95 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3m3i h ASP 95 Cb 1.12 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 3m3i h ASP 95 CO 0.11 0.29 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.42 3m3i h GLU 96 N 0.00 0.94 0.00 3.56 4.39 -1.98 -3.17 114.58 118.31 3m3i h GLU 96 Ca -0.00 -0.37 -0.04 0.00 0.34 0.00 0.00 59.36 59.28 3m3i h GLU 96 Cb 0.86 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 3m3i h GLU 96 CO 0.04 1.03 -0.19 -0.44 -1.16 0.00 0.00 179.01 178.29 3m3i h ASP 97 N 0.82 0.00 0.59 1.42 3.32 -1.87 -3.56 116.42 117.15 3m3i h ASP 97 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3m3i h ASP 97 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3m3i h ASP 97 CO 0.06 0.19 -0.09 -2.11 -1.72 0.00 0.00 179.24 175.57 3m3i n ARG 98 N -3.42 0.37 0.00 3.56 -4.01 -1.20 -5.21 116.66 106.75 3m3i n ARG 98 Ca -0.00 -0.08 0.00 0.00 -1.04 0.00 0.00 57.85 56.73 3m3i n ARG 98 Cb 0.38 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.30 3m3i n ARG 98 CO 0.00 0.00 0.00 -2.13 -3.04 0.00 0.00 177.63 172.46 3m3i n ARG 117 N -1.24 0.00 -1.66 2.89 3.00 -1.26 -5.06 116.66 113.33 3m3i n ARG 117 Ca 0.12 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.62 3m3i n ARG 117 Cb 0.29 0.00 0.07 0.00 0.00 0.00 0.00 32.46 32.81 3m3i n ARG 117 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3m3i s PRO 118 N -0.48 2.50 0.30 -0.14 0.04 -1.26 -5.02 135.00 130.95 3m3i s PRO 118 Ca 0.00 1.69 0.11 0.00 0.04 0.00 0.00 61.00 62.84 3m3i s PRO 118 Cb 0.00 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 3m3i s PRO 118 CO 0.00 -1.54 -0.15 0.15 0.04 0.00 0.00 177.00 175.49 3m3i s LYS 119 N -3.80 1.75 -2.03 4.56 -0.14 -1.26 -4.75 119.74 114.07 3m3i s LYS 119 Ca 0.73 -1.82 0.00 0.00 -1.36 0.00 0.00 55.97 53.52 3m3i s LYS 119 Cb -0.27 -1.76 0.00 0.00 -1.68 0.00 0.00 37.83 34.12 3m3i s LYS 119 CO 0.41 0.26 0.00 0.66 -0.76 0.00 0.00 175.35 175.92 3m3i n TYR 120 N -0.69 -0.40 0.02 3.18 4.01 -0.70 -4.88 117.16 117.70 3m3i n TYR 120 Ca -0.05 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.54 3m3i n TYR 120 Cb 0.61 -3.66 -0.05 0.00 -0.31 0.00 0.00 39.34 35.94 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 0.63 -5.19 -0.72 4.20 -1.81 -3.45 115.11 108.76 3m3i h GLN 121 Ca -0.45 -0.56 -0.61 0.00 0.06 0.00 0.00 58.65 57.09 3m3i h GLN 121 Cb 1.36 0.13 -0.13 0.00 0.30 0.00 0.00 27.48 29.13 3m3i h GLN 121 CO 0.61 1.17 -0.50 0.08 -0.67 0.00 0.00 178.83 179.52 3m3i s VAL 122 N -3.58 5.32 -0.24 -0.54 1.01 -1.26 -5.01 120.40 116.09 3m3i s VAL 122 Ca -0.08 0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 3m3i s VAL 122 Cb 0.09 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 3m3i s VAL 122 CO 0.89 0.40 0.01 -0.47 0.00 0.00 0.00 175.10 175.93 3m3i s TYR 123 N 0.65 3.04 -0.10 5.22 5.04 -1.26 -1.19 117.35 128.76 3m3i s TYR 123 Ca 0.07 -0.88 -0.00 0.00 -2.44 0.00 0.00 57.07 53.82 3m3i s TYR 123 Cb -0.12 -2.16 -0.03 0.00 0.35 0.00 0.00 41.96 40.00 3m3i s TYR 123 CO 0.01 -0.52 -0.07 1.03 -1.34 0.00 0.00 175.55 174.65 3m3i s ARG 124 N 1.50 3.03 -0.21 4.97 0.52 0.13 -4.96 118.95 123.93 3m3i s ARG 124 Ca 0.05 -0.56 -0.07 0.00 -0.52 0.00 0.00 55.73 54.63 3m3i s ARG 124 Cb -0.15 -2.67 -0.03 0.00 0.52 0.00 0.00 34.95 32.61 3m3i s ARG 124 CO -0.01 0.52 0.06 0.50 0.02 0.00 0.00 175.30 176.39 3m3i s ARG 125 N -0.41 3.79 -0.05 3.54 3.52 -1.26 -0.41 118.95 127.68 3m3i s ARG 125 Ca 0.06 -0.43 0.03 0.00 -0.13 0.00 0.00 55.73 55.27 3m3i s ARG 125 Cb -0.12 -3.24 0.00 0.00 -1.56 0.00 0.00 34.95 30.03 3m3i s ARG 125 CO 0.02 0.05 -0.14 0.08 -0.81 0.00 0.00 175.30 174.50 3m3i s VAL 126 N 0.98 1.24 -0.19 7.11 1.01 -0.05 -4.96 120.40 125.54 3m3i s VAL 126 Ca 0.04 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.31 3m3i s VAL 126 Cb -0.14 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 3m3i s VAL 126 CO 0.03 0.37 0.28 -0.76 0.00 0.00 0.00 175.10 175.01 3m3i s LEU 127 N 0.33 4.19 -0.38 3.92 1.43 -1.26 0.17 118.68 127.09 3m3i s LEU 127 Ca -0.09 0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 53.28 3m3i s LEU 127 Cb -0.13 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.77 3m3i s LEU 127 CO 0.03 0.05 0.26 -0.69 0.23 0.00 0.00 176.35 176.23 3m3i s VAL 128 N 0.80 5.13 0.10 -1.59 1.01 -0.32 -1.37 120.40 124.17 3m3i s VAL 128 Ca 0.14 -0.55 -0.23 0.00 0.00 0.00 0.00 61.98 61.34 3m3i s VAL 128 Cb -0.13 -3.79 0.08 0.00 0.00 0.00 0.00 36.38 32.54 3m3i s VAL 128 CO 0.04 -0.20 1.08 0.61 0.00 0.00 0.00 175.10 176.63 3m3i n GLY 129 N 5.11 0.48 0.27 4.51 0.00 -0.05 -1.97 105.19 113.54 3m3i n GLY 129 Ca -0.12 -1.10 0.11 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.93 4.07 -1.69 4.61 0.00 -1.26 -2.61 120.51 122.71 3m3i n ALA 130 Ca -0.12 -0.61 -0.40 0.00 0.00 0.00 0.00 53.44 52.30 3m3i n ALA 130 Cb 0.56 -0.80 -0.01 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.71 3.83 0.04 0.00 1.74 -1.26 -4.75 116.66 115.56 3m3i n ARG 131 Ca 0.07 -2.78 0.22 0.00 -0.77 0.00 0.00 57.85 54.58 3m3i n ARG 131 Cb 0.40 -2.84 0.72 0.00 -1.02 0.00 0.00 32.46 29.73 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 3.12 0.38 0.00 1.55 -1.51 -1.81 0.34 116.25 118.32 3m3i h VAL 132 Ca 0.73 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 66.16 3m3i h VAL 132 Cb 0.38 0.60 -0.00 0.00 -2.13 0.00 0.00 31.29 30.13 3m3i h VAL 132 CO 1.70 0.00 -0.15 1.05 -1.23 0.00 0.00 177.57 178.93 3m3i h GLU 133 N 0.00 0.00 -0.70 5.19 9.09 -1.87 -2.77 114.58 123.52 3m3i h GLU 133 Ca 0.24 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.65 3m3i h GLU 133 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.37 3m3i h GLU 133 CO -0.00 0.15 0.00 0.54 0.05 0.00 0.00 179.01 179.75 3m3i n ARG 134 N -3.48 3.17 -0.08 1.06 1.74 0.12 -4.93 116.66 114.25 3m3i n ARG 134 Ca -0.01 -2.73 0.00 0.00 -0.77 0.00 0.00 57.85 54.34 3m3i n ARG 134 Cb 0.32 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 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 1.43 0.50 3.79 -0.13 0.00 -1.04 -5.07 105.19 104.67 3m3i n GLY 135 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.87 3.42 -0.13 1.61 2.02 -1.20 -4.80 118.70 118.76 3m3i s GLU 136 Ca 0.00 1.36 0.03 0.00 0.02 0.00 0.00 54.97 56.38 3m3i s GLU 136 Cb 0.00 -2.04 0.01 0.00 0.10 0.00 0.00 34.13 32.20 3m3i s GLU 136 CO 0.00 -0.74 -0.23 -0.51 0.02 0.00 0.00 175.26 173.80 3m3i s LEU 137 N -4.06 2.10 0.35 1.80 1.43 -0.47 -4.07 118.68 115.75 3m3i s LEU 137 Ca 0.67 -0.59 0.05 0.00 -1.03 0.00 0.00 54.13 53.23 3m3i s LEU 137 Cb -0.18 -1.43 0.63 0.00 0.03 0.00 0.00 46.19 45.24 3m3i s LEU 137 CO 0.30 0.10 1.89 -0.07 0.23 0.00 0.00 176.35 178.81 3m3i h LEU 138 N 7.14 0.48 -7.92 1.79 3.38 -1.82 -0.10 115.31 118.26 3m3i h LEU 138 Ca -0.28 -0.08 -0.42 0.00 0.09 0.00 0.00 57.88 57.19 3m3i h LEU 138 Cb 1.21 -0.13 -0.31 0.00 0.09 0.00 0.00 40.66 41.52 3m3i h LEU 138 CO 0.53 0.53 -0.78 -1.58 0.09 0.00 0.00 178.44 177.23 3m3i s GLN 139 N -5.01 0.90 -0.05 1.13 0.74 -1.26 -1.31 119.66 114.80 3m3i s GLN 139 Ca -0.08 -0.25 -0.13 0.00 0.05 0.00 0.00 55.36 54.95 3m3i s GLN 139 Cb 0.16 -0.85 0.02 0.00 1.10 0.00 0.00 33.01 33.44 3m3i s GLN 139 CO 0.76 0.07 0.30 -0.47 -0.55 0.00 0.00 175.29 175.40 3m3i s TYR 140 N 0.33 -0.22 -0.19 1.67 5.04 -0.59 -4.98 117.35 118.40 3m3i s TYR 140 Ca -0.05 0.44 0.00 0.00 -2.44 0.00 0.00 57.07 55.03 3m3i s TYR 140 Cb -0.09 0.10 0.01 0.00 0.35 0.00 0.00 41.96 42.33 3m3i s TYR 140 CO 0.00 -0.31 -0.17 0.99 -1.34 0.00 0.00 175.55 174.72 3m3i s THR 141 N -0.82 2.29 -0.43 4.34 2.01 -1.26 0.97 115.64 122.73 3m3i s THR 141 Ca -0.09 -0.86 -0.24 0.00 0.31 0.00 0.00 61.69 60.81 3m3i s THR 141 Cb -0.04 -1.98 0.02 0.00 0.01 0.00 0.00 72.50 70.51 3m3i s THR 141 CO 0.03 0.52 0.81 -0.69 -0.69 0.00 0.00 174.62 174.60 3m3i s VAL 142 N 1.31 4.63 0.36 3.82 1.01 0.59 -4.95 120.40 127.17 3m3i s VAL 142 Ca 0.05 0.59 -0.28 0.00 0.00 0.00 0.00 61.98 62.34 3m3i s VAL 142 Cb -0.13 -4.32 -0.10 0.00 0.00 0.00 0.00 36.38 31.83 3m3i s VAL 142 CO -0.11 -0.68 1.32 -2.84 0.00 0.00 0.00 175.10 172.79 3m3i s PRO 143 N 3.34 4.20 0.22 2.72 0.02 -1.26 -2.09 135.00 142.15 3m3i s PRO 143 Ca 0.32 2.22 -0.32 0.00 0.02 0.00 0.00 61.00 63.24 3m3i s PRO 143 Cb -0.12 -2.95 -0.14 0.00 0.02 0.00 0.00 34.50 31.31 3m3i s PRO 143 CO 0.22 -0.32 1.34 0.41 -0.33 0.00 0.00 177.00 178.32 3m3i n GLY 144 N 0.72 0.56 0.00 0.52 0.00 -1.24 -2.27 105.19 103.48 3m3i n GLY 144 Ca 0.01 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 2.15 2.36 3.77 -0.02 0.00 -1.03 -4.87 105.19 107.56 3m3i n GLY 145 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.54 3.24 -0.28 4.61 0.00 -0.96 -4.46 121.76 121.37 3m3i s ALA 146 Ca 0.00 1.03 -0.17 0.00 0.00 0.00 0.00 51.96 52.82 3m3i s ALA 146 Cb 0.00 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 3m3i s ALA 146 CO 0.00 -0.54 0.47 0.42 0.00 0.00 0.00 175.76 176.11 3m3i s ILE 147 N -1.33 5.09 0.14 0.00 1.01 -0.51 -4.27 121.20 121.33 3m3i s ILE 147 Ca 0.55 0.70 -0.08 0.00 0.00 0.00 0.00 60.65 61.81 3m3i s ILE 147 Cb -0.33 -3.81 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 3m3i s ILE 147 CO 0.42 0.06 0.24 0.72 0.00 0.00 0.00 174.94 176.39 3m3i s PHE 148 N 2.25 0.36 0.35 3.97 -0.71 -0.10 -0.60 117.98 123.50 3m3i s PHE 148 Ca 0.19 -0.75 -0.11 0.00 -1.04 0.00 0.00 56.93 55.23 3m3i s PHE 148 Cb -0.16 -0.08 0.03 0.00 -1.21 0.00 0.00 43.02 41.60 3m3i s PHE 148 CO 0.10 -0.66 0.63 0.20 -1.34 0.00 0.00 175.22 174.15 3m3i s GLY 149 N -2.94 0.79 -0.10 1.99 0.00 -0.43 -1.54 107.32 105.09 3m3i s GLY 149 Ca 0.14 -1.03 -0.08 0.00 0.00 0.00 0.00 44.72 43.76 3m3i s GLY 149 CO -0.03 -0.59 0.25 -1.35 0.00 0.00 0.00 173.10 171.38 3m3i s SER 150 N -3.12 -0.27 0.21 1.64 1.04 -0.50 -1.71 113.70 110.98 3m3i s SER 150 Ca 0.22 0.52 0.02 0.00 0.48 0.00 0.00 55.95 57.19 3m3i s SER 150 Cb -0.03 0.48 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 3m3i s SER 150 CO 0.14 -0.12 0.02 -0.94 0.98 0.00 0.00 173.24 173.32 3m3i s SER 151 N 0.54 1.41 0.01 7.02 1.04 -0.53 -1.26 113.70 121.93 3m3i s SER 151 Ca -0.03 -1.23 0.04 0.00 0.48 0.00 0.00 55.95 55.21 3m3i s SER 151 Cb -0.05 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.15 3m3i s SER 151 CO -0.03 -0.58 -0.14 -0.69 0.98 0.00 0.00 173.24 172.78 3m3i s VAL 152 N -3.60 1.08 0.37 5.02 1.01 -1.26 -1.22 120.40 121.80 3m3i s VAL 152 Ca 0.28 -0.75 -0.27 0.00 0.00 0.00 0.00 61.98 61.24 3m3i s VAL 152 Cb 0.06 -0.93 -0.09 0.00 0.00 0.00 0.00 36.38 35.42 3m3i s VAL 152 CO 0.07 0.17 1.19 0.00 0.00 0.00 0.00 175.10 176.54 3m3i s ALA 153 N -0.54 3.27 0.16 5.51 0.00 -1.26 -4.23 121.76 124.68 3m3i s ALA 153 Ca 0.04 1.03 -0.05 0.00 0.00 0.00 0.00 51.96 52.97 3m3i s ALA 153 Cb -0.06 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.69 3m3i s ALA 153 CO 0.00 -0.51 1.44 0.00 0.00 0.00 0.00 175.76 176.70 3m3i h ALA 154 N 2.98 0.57 -4.12 0.00 0.00 -1.92 -3.39 119.26 113.39 3m3i h ALA 154 Ca -0.48 -0.56 -0.30 0.00 0.00 0.00 0.00 54.91 53.57 3m3i h ALA 154 Cb 1.23 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 3m3i h ALA 154 CO 0.64 0.71 -0.26 -0.25 0.00 0.00 0.00 179.25 180.09 3m3i n ASP 155 N -3.92 -0.72 0.00 0.00 9.92 -1.25 -4.81 116.55 115.76 3m3i n ASP 155 Ca -0.04 -2.56 0.00 0.00 -0.53 0.00 0.00 54.79 51.66 3m3i n ASP 155 Cb 0.66 1.51 0.00 0.00 -0.64 0.00 0.00 41.12 42.65 3m3i n ASP 155 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3m3i n GLY 156 N -0.46 -2.07 0.00 0.44 0.00 -1.26 -3.37 105.19 98.47 3m3i n GLY 156 Ca 0.04 -1.60 0.12 0.00 0.00 0.00 0.00 46.02 44.58 3m3i n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3i n ALA 157 N -0.05 2.27 0.36 4.61 0.00 -1.26 -1.87 120.51 124.58 3m3i n ALA 157 Ca 0.00 -0.12 0.07 0.00 0.00 0.00 0.00 53.44 53.39 3m3i n ALA 157 Cb 0.00 -1.41 0.10 0.00 0.00 0.00 0.00 19.45 18.14 3m3i n ALA 157 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3m3i n ASP 158 N -1.29 2.46 -3.05 0.00 8.00 -1.26 -4.78 116.55 116.63 3m3i n ASP 158 Ca 0.12 -1.70 -0.16 0.00 0.71 0.00 0.00 54.79 53.76 3m3i n ASP 158 Cb 0.20 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.21 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 0.79 3.06 0.03 0.44 0.00 -0.78 -4.17 105.19 104.56 3m3i n GLY 159 Ca 0.10 -1.57 0.04 0.00 0.00 0.00 0.00 46.02 44.59 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 0.19 0.78 -0.02 1.61 6.02 -1.23 -3.81 117.38 120.92 3m3i n GLN 160 Ca 0.21 -0.11 -0.06 0.00 -0.01 0.00 0.00 57.00 57.03 3m3i n GLN 160 Cb 0.70 -1.38 -0.13 0.00 1.02 0.00 0.00 30.24 30.45 3m3i n GLN 160 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3m3i n ALA 161 N -2.20 1.66 -0.74 -1.58 0.00 -1.26 -4.98 120.51 111.42 3m3i n ALA 161 Ca -0.09 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.57 3m3i n ALA 161 Cb 0.58 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.25 3m3i n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m3i n GLY 162 N 1.53 0.63 3.68 0.00 0.00 -1.26 -4.76 105.19 105.01 3m3i n GLY 162 Ca -0.17 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.17 -0.02 1.61 -0.85 -1.26 -4.47 117.35 110.19 3m3i s TYR 163 Ca 0.00 -0.07 0.00 0.00 -0.52 0.00 0.00 57.07 56.48 3m3i s TYR 163 Cb 0.00 0.60 0.02 0.00 0.38 0.00 0.00 41.96 42.97 3m3i s TYR 163 CO 0.00 -0.69 0.00 0.45 -1.52 0.00 0.00 175.55 173.79 3m3i s SER 164 N -2.83 0.33 -0.06 -0.18 0.15 -0.47 0.10 113.70 110.74 3m3i s SER 164 Ca 0.11 -0.02 0.06 0.00 0.70 0.00 0.00 55.95 56.80 3m3i s SER 164 Cb -0.01 -0.16 -0.01 0.00 -1.71 0.00 0.00 66.02 64.13 3m3i s SER 164 CO -0.01 -0.08 -0.25 -0.22 1.20 0.00 0.00 173.24 173.88 3m3i s LEU 165 N 0.82 2.08 0.25 3.45 2.96 -0.48 -1.29 118.68 126.47 3m3i s LEU 165 Ca -0.08 -0.52 -0.00 0.00 -0.22 0.00 0.00 54.13 53.31 3m3i s LEU 165 Cb -0.11 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 3m3i s LEU 165 CO -0.02 0.23 0.24 0.68 -1.32 0.00 0.00 176.35 176.17 3m3i s VAL 166 N -0.09 0.00 -0.07 1.68 -7.23 -0.11 -2.05 120.40 112.53 3m3i s VAL 166 Ca -0.06 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 58.23 3m3i s VAL 166 Cb -0.14 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 3m3i s VAL 166 CO 0.04 0.00 -0.08 -0.44 -0.31 0.00 0.00 175.10 174.32 3m3i s SER 167 N -3.21 4.58 -0.03 4.85 0.01 -0.78 -1.62 113.70 117.50 3m3i s SER 167 Ca 0.37 -0.04 0.06 0.00 1.31 0.00 0.00 55.95 57.65 3m3i s SER 167 Cb 0.04 -1.15 -0.02 0.00 0.21 0.00 0.00 66.02 65.11 3m3i s SER 167 CO 0.17 0.36 -0.22 0.00 0.41 0.00 0.00 173.24 173.95 3m3i s ILE 169 N -0.60 1.49 -0.19 0.00 1.01 -0.87 0.01 121.20 122.06 3m3i s ILE 169 Ca 0.09 -0.88 -0.16 0.00 0.00 0.00 0.00 60.65 59.71 3m3i s ILE 169 Cb -0.11 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 3m3i s ILE 169 CO -0.00 0.18 0.38 -0.69 0.00 0.00 0.00 174.94 174.80 3m3i s VAL 170 N 1.47 5.22 -0.12 2.92 1.01 -0.49 -1.00 120.40 129.42 3m3i s VAL 170 Ca -0.00 0.68 -0.04 0.00 0.00 0.00 0.00 61.98 62.62 3m3i s VAL 170 Cb -0.16 -3.71 0.06 0.00 0.00 0.00 0.00 36.38 32.57 3m3i s VAL 170 CO -0.08 0.29 0.22 -0.55 0.00 0.00 0.00 175.10 174.98 3m3i s SER 171 N 0.89 0.59 0.94 3.32 0.15 -0.67 -1.94 113.70 116.98 3m3i s SER 171 Ca 0.19 0.42 -0.12 0.00 0.70 0.00 0.00 55.95 57.14 3m3i s SER 171 Cb -0.14 0.52 0.06 0.00 -1.71 0.00 0.00 66.02 64.75 3m3i s SER 171 CO 0.07 -0.25 0.60 -2.65 1.20 0.00 0.00 173.24 172.21 3m3i n PRO 172 N 5.34 -0.32 -0.60 5.44 -0.02 -1.26 -3.89 135.00 139.69 3m3i n PRO 172 Ca -0.05 -0.05 -0.30 0.00 -2.02 0.00 0.00 63.50 61.08 3m3i n PRO 172 Cb 0.50 -1.99 0.21 0.00 -0.02 0.00 0.00 33.50 32.19 3m3i n PRO 172 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3m3i s GLY 173 N -2.17 1.63 0.14 -1.23 0.00 0.12 -4.75 107.32 101.06 3m3i s GLY 173 Ca 0.60 0.32 -0.29 0.00 0.00 0.00 0.00 44.72 45.34 3m3i s GLY 173 CO 0.65 0.87 0.93 -0.12 0.00 0.00 0.00 173.10 175.43 3m3i s PHE 174 N -2.55 3.86 -0.05 1.90 5.36 -1.26 -4.81 117.98 120.43 3m3i s PHE 174 Ca 0.68 1.80 -0.03 0.00 -0.96 0.00 0.00 56.93 58.42 3m3i s PHE 174 Cb -0.24 -3.01 0.02 0.00 -0.34 0.00 0.00 43.02 39.45 3m3i s PHE 174 CO 0.61 0.29 0.11 0.34 -1.46 0.00 0.00 175.22 175.11 3m3i s ASP 175 N -0.36 -0.10 0.55 6.13 2.15 -1.26 -4.91 116.67 118.87 3m3i s ASP 175 Ca 0.44 0.23 0.32 0.00 0.43 0.00 0.00 52.55 53.98 3m3i s ASP 175 Cb -0.24 0.19 1.60 0.00 -0.30 0.00 0.00 42.92 44.17 3m3i s ASP 175 CO 0.30 -0.08 2.10 1.88 -0.17 0.00 0.00 175.17 179.20 3m3i h TYR 176 N 6.43 0.00 0.00 -5.34 0.05 -1.97 0.28 116.97 116.42 3m3i h TYR 176 Ca -0.31 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.46 3m3i h TYR 176 Cb 1.18 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.92 3m3i h TYR 176 CO 0.42 0.07 -0.02 0.00 -1.05 0.00 0.00 178.16 177.58 3m3i h ARG 177 N 0.00 0.00 -0.60 4.88 3.08 -2.02 -2.03 114.38 117.69 3m3i h ARG 177 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3m3i h ARG 177 Cb 0.33 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 3m3i h ARG 177 CO 0.01 0.02 0.07 -0.25 -1.07 0.00 0.00 179.97 178.75 3m3i n ASP 178 N -4.21 5.36 -4.26 7.04 8.00 0.08 -4.89 116.55 123.68 3m3i n ASP 178 Ca -0.03 -3.03 -0.37 0.00 0.71 0.00 0.00 54.79 52.07 3m3i n ASP 178 Cb 0.10 -0.69 -0.13 0.00 -0.02 0.00 0.00 41.12 40.38 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 -2.85 3.21 -0.19 1.24 5.36 -0.77 -4.24 117.98 119.74 3m3i s PHE 179 Ca 0.54 -1.41 -0.05 0.00 -0.96 0.00 0.00 56.93 55.05 3m3i s PHE 179 Cb 0.42 -2.22 -0.03 0.00 -0.34 0.00 0.00 43.02 40.85 3m3i s PHE 179 CO 0.15 -0.71 0.01 -2.00 -1.46 0.00 0.00 175.22 171.21 3m3i s GLU 180 N 1.39 3.68 0.00 10.12 2.12 -1.01 -4.99 118.70 130.02 3m3i s GLU 180 Ca -0.01 -0.49 0.04 0.00 0.36 0.00 0.00 54.97 54.87 3m3i s GLU 180 Cb -0.19 -3.09 -0.03 0.00 0.26 0.00 0.00 34.13 31.08 3m3i s GLU 180 CO 0.01 0.08 -0.08 -1.50 -0.54 0.00 0.00 175.26 173.22 3m3i s ILE 181 N 0.84 3.52 0.30 -3.70 1.10 -1.26 -1.10 121.20 120.90 3m3i s ILE 181 Ca 0.01 -0.81 0.10 0.00 -0.51 0.00 0.00 60.65 59.44 3m3i s ILE 181 Cb -0.14 -2.52 -0.05 0.00 0.15 0.00 0.00 42.46 39.91 3m3i s ILE 181 CO 0.02 0.40 -0.05 -0.36 -2.11 0.00 0.00 174.94 172.85 3m3i s PHE 182 N -0.97 2.54 0.25 3.50 0.40 -1.14 -5.02 117.98 117.54 3m3i s PHE 182 Ca 0.16 -0.32 0.09 0.00 -0.60 0.00 0.00 56.93 56.26 3m3i s PHE 182 Cb -0.11 -1.25 -0.04 0.00 0.51 0.00 0.00 43.02 42.13 3m3i s PHE 182 CO 0.07 0.59 0.01 0.95 0.70 0.00 0.00 175.22 177.54 3m3i s THR 183 N -2.44 3.57 0.10 0.64 -4.23 -1.26 -3.89 115.64 108.12 3m3i s THR 183 Ca 0.32 -1.78 -0.26 0.00 -1.18 0.00 0.00 61.69 58.80 3m3i s THR 183 Cb -0.04 -2.88 -0.12 0.00 1.34 0.00 0.00 72.50 70.80 3m3i s THR 183 CO 0.18 -0.32 1.68 1.56 -0.54 0.00 0.00 174.62 177.19 3m3i h GLN 184 N 2.03 -0.31 -0.49 3.99 4.20 -1.30 -2.27 115.11 120.97 3m3i h GLN 184 Ca -0.45 0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.37 3m3i h GLN 184 Cb 1.24 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 29.01 3m3i h GLN 184 CO 0.60 -0.21 0.03 0.00 -0.67 0.00 0.00 178.83 178.58 3m3i h ALA 185 N 0.51 0.48 0.05 3.87 0.00 -1.97 -1.09 119.26 121.11 3m3i h ALA 185 Ca 0.01 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3m3i h ALA 185 Cb 0.31 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3m3i h ALA 185 CO -0.05 -0.37 -0.38 0.37 0.00 0.00 0.00 179.25 178.83 3m3i h GLN 186 N 0.14 -0.54 -0.41 0.00 4.15 -1.95 -3.25 115.11 113.25 3m3i h GLN 186 Ca 0.25 0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.62 3m3i h GLN 186 Cb 0.36 0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 3m3i h GLN 186 CO -0.38 -0.36 -0.08 -0.07 -1.93 0.00 0.00 178.83 176.00 3m3i h LEU 187 N -0.56 0.68 -2.60 -2.39 3.38 -0.76 -2.19 115.31 110.87 3m3i h LEU 187 Ca 0.04 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3m3i h LEU 187 Cb 0.62 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3m3i h LEU 187 CO -0.26 0.80 0.02 0.24 0.09 0.00 0.00 178.44 179.33 3m3i h MET 188 N 0.64 0.00 0.00 1.13 2.86 -1.27 0.59 114.93 118.88 3m3i h MET 188 Ca 0.12 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.66 3m3i h MET 188 Cb 0.52 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 3m3i h MET 188 CO 0.03 0.00 -0.46 0.93 1.06 0.00 0.00 176.91 178.47 3m3i h GLU 189 N 0.00 0.00 0.00 1.72 4.39 -1.43 -3.30 114.58 115.96 3m3i h GLU 189 Ca 0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 3m3i h GLU 189 Cb 0.04 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 3m3i h GLU 189 CO 0.00 0.46 -1.90 1.28 -1.16 0.00 0.00 179.01 177.69 3m3i n LEU 190 N -3.34 1.92 -3.16 1.33 4.77 -0.32 -4.86 117.00 113.34 3m3i n LEU 190 Ca 0.01 0.08 -0.25 0.00 -0.03 0.00 0.00 56.01 55.82 3m3i n LEU 190 Cb 0.65 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 3m3i n LEU 190 CO 0.39 0.51 0.00 -1.22 -1.33 0.00 0.00 177.39 175.75 3m3i n TYR 191 N -3.41 2.70 0.28 -1.77 4.01 0.19 -4.89 117.16 114.27 3m3i n TYR 191 Ca -0.30 -3.96 0.17 0.00 -0.16 0.00 0.00 57.90 53.65 3m3i n TYR 191 Cb 0.75 -0.48 0.67 0.00 -0.31 0.00 0.00 39.34 39.98 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 3.46 0.00 0.00 -0.72 0.13 -1.71 -2.49 132.00 130.67 3m3i h PRO 192 Ca 0.14 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 3m3i h PRO 192 Cb 0.68 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 3m3i h PRO 192 CO 0.72 0.01 -0.09 -0.56 -0.23 0.00 0.00 178.00 177.84 3m3i h GLN 193 N 0.00 0.00 -0.83 0.86 -0.00 -1.91 -2.66 115.11 110.56 3m3i h GLN 193 Ca -0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.36 3m3i h GLN 193 Cb 0.52 0.00 -0.17 0.00 -0.00 0.00 0.00 27.48 27.83 3m3i h GLN 193 CO 0.00 0.09 0.37 0.72 -0.00 0.00 0.00 178.83 180.01 3m3i n HIS 194 N -3.65 2.56 -0.35 0.06 8.25 -0.94 -4.76 115.22 116.40 3m3i n HIS 194 Ca -0.02 -1.33 0.16 0.00 -0.26 0.00 0.00 57.72 56.26 3m3i n HIS 194 Cb 0.21 -0.74 0.36 0.00 1.12 0.00 0.00 29.99 30.94 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 2.18 0.63 0.54 -0.41 4.81 -1.61 -1.46 114.58 119.26 3m3i h GLU 195 Ca 0.36 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.52 3m3i h GLU 195 Cb 2.44 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 31.68 3m3i h GLU 195 CO 0.82 0.42 -0.26 0.00 -0.73 0.00 0.00 179.01 179.26 3m3i h ALA 196 N 1.69 -0.72 -0.83 2.92 0.00 -1.88 0.16 119.26 120.59 3m3i h ALA 196 Ca 0.61 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.43 3m3i h ALA 196 Cb 1.09 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 19.09 3m3i h ALA 196 CO -0.42 -0.86 0.48 -0.24 0.00 0.00 0.00 179.25 178.22 3m3i h VAL 197 N -0.82 0.95 -0.12 0.00 3.04 -1.87 -2.20 116.25 115.23 3m3i h VAL 197 Ca -0.07 -0.29 -0.00 0.00 -1.01 0.00 0.00 66.70 65.33 3m3i h VAL 197 Cb 0.59 0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 29.91 3m3i h VAL 197 CO 0.12 0.15 0.06 0.40 -1.01 0.00 0.00 177.57 177.29 3m3i h ILE 198 N 0.84 1.11 0.00 3.17 2.04 -1.05 -0.86 117.51 122.76 3m3i h ILE 198 Ca 0.39 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.90 3m3i h ILE 198 Cb 0.30 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3m3i h ILE 198 CO -0.22 0.10 -0.14 0.11 0.00 0.00 0.00 178.15 178.00 3m3i h LYS 199 N 0.08 0.00 0.20 2.37 1.57 -0.49 0.39 116.57 120.69 3m3i h LYS 199 Ca 0.04 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.55 3m3i h LYS 199 Cb 0.11 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.45 3m3i h LYS 199 CO -0.01 0.14 -1.18 0.37 -0.57 0.00 0.00 179.45 178.20 3m3i h GLN 200 N 0.00 0.44 0.00 3.15 4.15 -1.26 -3.43 115.11 118.16 3m3i h GLN 200 Ca -0.00 -0.74 0.00 0.00 0.77 0.00 0.00 58.65 58.67 3m3i h GLN 200 Cb 0.60 0.28 0.00 0.00 0.21 0.00 0.00 27.48 28.57 3m3i h GLN 200 CO 0.02 1.35 -0.95 -1.33 -1.93 0.00 0.00 178.83 175.99 3m3i n MET 201 N -3.90 1.93 -3.45 1.69 2.81 -0.34 -4.98 117.12 110.88 3m3i n MET 201 Ca -0.15 -0.04 -0.38 0.00 -1.81 0.00 0.00 57.70 55.31 3m3i n MET 201 Cb 0.98 -1.05 -0.06 0.00 -0.71 0.00 0.00 33.22 32.38 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 -2.20 3.67 0.24 3.04 0.00 0.11 -1.06 121.76 125.56 3m3i s ALA 202 Ca -0.01 -0.16 -0.31 0.00 0.00 0.00 0.00 51.96 51.48 3m3i s ALA 202 Cb 0.05 -2.44 -0.14 0.00 0.00 0.00 0.00 23.12 20.59 3m3i s ALA 202 CO 0.31 0.46 1.26 0.66 0.00 0.00 0.00 175.76 178.45 3m3i n TYR 203 N 1.78 1.76 0.26 0.00 4.01 -1.25 -4.49 117.16 119.22 3m3i n TYR 203 Ca -0.13 0.56 0.03 0.00 -0.16 0.00 0.00 57.90 58.21 3m3i n TYR 203 Cb 0.52 -2.37 0.03 0.00 -0.31 0.00 0.00 39.34 37.21 3m3i n TYR 203 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55