#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 2.07 0.23 3.41 -1.32 -1.26 -5.01 115.64 113.75 3m3i s THR 12 Ca 0.00 -1.31 -0.05 0.00 -1.21 0.00 0.00 61.69 59.12 3m3i s THR 12 Cb 0.00 -2.38 0.11 0.00 -1.51 0.00 0.00 72.50 68.72 3m3i s THR 12 CO 0.00 0.00 1.73 0.00 -2.21 0.00 0.00 174.62 174.14 3m3i h ALA 13 N 0.66 1.01 -0.48 11.08 0.00 -1.87 -2.82 119.26 126.85 3m3i h ALA 13 Ca -0.36 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.38 3m3i h ALA 13 Cb 1.29 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 3m3i h ALA 13 CO 0.53 0.62 -0.04 0.93 0.00 0.00 0.00 179.25 181.28 3m3i h GLU 14 N 0.90 0.07 -0.66 0.00 3.07 -1.98 -1.00 114.58 114.98 3m3i h GLU 14 Ca 0.18 -0.00 0.14 0.00 -0.50 0.00 0.00 59.36 59.17 3m3i h GLU 14 Cb 0.44 -0.02 -0.12 0.00 -0.84 0.00 0.00 28.75 28.21 3m3i h GLU 14 CO 0.02 0.05 -0.09 0.35 -1.40 0.00 0.00 179.01 177.93 3m3i h PHE 15 N 0.07 -0.22 -0.01 4.33 3.04 -1.90 -0.43 116.94 121.82 3m3i h PHE 15 Ca 0.24 0.05 -0.21 0.00 3.98 0.00 0.00 57.97 62.03 3m3i h PHE 15 Cb 0.36 0.20 0.02 0.00 2.56 0.00 0.00 35.95 39.09 3m3i h PHE 15 CO -0.34 -0.25 -0.81 -1.49 -2.02 0.00 0.00 178.31 173.40 3m3i h TRP 16 N 0.04 0.84 -0.45 0.41 4.06 -1.45 -2.28 115.95 117.12 3m3i h TRP 16 Ca 0.33 -0.45 0.06 0.00 2.06 0.00 0.00 58.89 60.89 3m3i h TRP 16 Cb 0.53 -0.10 -0.05 0.00 -1.00 0.00 0.00 29.16 28.54 3m3i h TRP 16 CO -0.47 1.27 0.16 0.82 -3.56 0.00 0.00 178.44 176.66 3m3i h ILE 17 N 0.16 0.85 -0.06 1.49 2.04 -0.78 0.63 117.51 121.85 3m3i h ILE 17 Ca -0.10 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 3m3i h ILE 17 Cb 1.49 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 3m3i h ILE 17 CO 0.16 0.06 0.03 0.11 0.00 0.00 0.00 178.15 178.51 3m3i h LYS 18 N 0.32 0.08 0.00 2.37 1.57 -1.09 -0.37 116.57 119.45 3m3i h LYS 18 Ca 0.21 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 3m3i h LYS 18 Cb 0.21 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3m3i h LYS 18 CO -0.22 0.15 -0.64 0.00 -0.57 0.00 0.00 179.45 178.17 3m3i h ARG 19 N -0.00 0.00 -0.07 3.15 3.08 -1.09 -3.07 114.38 116.38 3m3i h ARG 19 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3m3i h ARG 19 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3m3i h ARG 19 CO -0.00 0.35 0.00 1.28 -1.07 0.00 0.00 179.97 180.53 3m3i n LEU 20 N -3.10 2.91 -3.78 3.04 4.77 0.19 -4.99 117.00 116.04 3m3i n LEU 20 Ca -0.00 -1.01 -0.24 0.00 -0.03 0.00 0.00 56.01 54.73 3m3i n LEU 20 Cb 0.71 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.80 3m3i n LEU 20 CO 0.40 0.50 -0.02 0.00 -1.33 0.00 0.00 177.39 176.95 3m3i n GLN 21 N 1.26 -5.08 -2.64 3.23 6.02 -0.28 -4.83 117.38 115.05 3m3i n GLN 21 Ca 0.15 0.61 -0.40 0.00 -0.01 0.00 0.00 57.00 57.34 3m3i n GLN 21 Cb 0.58 -5.26 -0.05 0.00 1.02 0.00 0.00 30.24 26.53 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 -6.89 4.59 0.44 1.08 1.43 -0.42 -4.77 118.68 114.13 3m3i s LEU 22 Ca 0.22 2.04 0.06 0.00 -1.03 0.00 0.00 54.13 55.42 3m3i s LEU 22 Cb -0.11 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 3m3i s LEU 22 CO 0.82 0.00 0.19 0.68 0.23 0.00 0.00 176.35 178.28 3m3i s VAL 23 N -0.92 2.11 0.24 -1.59 -7.23 0.03 -4.80 120.40 108.24 3m3i s VAL 23 Ca 0.44 -1.70 -0.30 0.00 -1.81 0.00 0.00 61.98 58.61 3m3i s VAL 23 Cb -0.28 -2.81 -0.10 0.00 0.56 0.00 0.00 36.38 33.76 3m3i s VAL 23 CO 0.35 0.00 1.39 -2.84 -0.31 0.00 0.00 175.10 173.69 3m3i s PRO 24 N -3.95 4.31 -0.17 4.82 0.02 -1.26 -1.20 135.00 137.56 3m3i s PRO 24 Ca 0.37 2.22 -0.14 0.00 0.02 0.00 0.00 61.00 63.47 3m3i s PRO 24 Cb 0.03 -3.13 -0.05 0.00 0.02 0.00 0.00 34.50 31.37 3m3i s PRO 24 CO 0.21 -0.35 0.30 -1.58 -0.33 0.00 0.00 177.00 175.25 3m3i s HIS 25 N -0.06 3.43 0.23 6.54 2.46 -0.46 -4.82 115.29 122.60 3m3i s HIS 25 Ca 0.58 0.57 -0.10 0.00 0.47 0.00 0.00 55.06 56.58 3m3i s HIS 25 Cb -0.40 -2.37 0.34 0.00 -0.13 0.00 0.00 32.58 30.02 3m3i s HIS 25 CO 0.42 0.18 1.64 -1.35 -2.47 0.00 0.00 174.74 173.16 3m3i h PRO 26 N 6.88 0.08 0.00 2.88 0.11 -1.95 0.46 132.00 140.47 3m3i h PRO 26 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3m3i h PRO 26 Cb 1.16 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3m3i h PRO 26 CO 0.74 0.05 0.00 -0.85 -0.21 0.00 0.00 178.00 177.74 3m3i n GLU 27 N -5.34 0.03 0.00 1.05 0.28 -1.26 -4.98 120.64 110.42 3m3i n GLU 27 Ca 0.11 0.43 0.00 0.00 -0.16 0.00 0.00 57.16 57.54 3m3i n GLU 27 Cb 0.40 -1.58 0.00 0.00 1.43 0.00 0.00 31.44 31.69 3m3i n GLU 27 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3m3i n GLY 28 N -0.88 2.65 3.63 -1.84 0.00 0.16 -1.43 105.19 107.48 3m3i n GLY 28 Ca 0.01 -2.05 0.01 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 -0.45 -2.12 3.29 -0.02 0.00 -0.75 -4.32 105.19 100.82 3m3i n GLY 29 Ca 0.00 -1.45 -0.26 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 -0.54 1.95 0.21 1.61 1.51 0.12 -1.36 117.35 120.86 3m3i s TYR 30 Ca 0.00 -0.39 -0.14 0.00 -1.01 0.00 0.00 57.07 55.53 3m3i s TYR 30 Cb 0.00 -1.12 0.01 0.00 -0.11 0.00 0.00 41.96 40.73 3m3i s TYR 30 CO 0.00 0.16 0.46 1.52 -1.11 0.00 0.00 175.55 176.58 3m3i s TYR 31 N -0.93 0.20 -0.21 2.71 -0.85 -0.34 0.60 117.35 118.53 3m3i s TYR 31 Ca 0.09 -0.56 -0.10 0.00 -0.52 0.00 0.00 57.07 55.98 3m3i s TYR 31 Cb -0.09 0.22 0.08 0.00 0.38 0.00 0.00 41.96 42.54 3m3i s TYR 31 CO 0.03 -0.92 0.48 0.45 -1.52 0.00 0.00 175.55 174.07 3m3i s SER 32 N -2.96 -0.58 0.30 -0.18 0.15 -0.90 -0.79 113.70 108.74 3m3i s SER 32 Ca 0.17 1.09 -0.29 0.00 0.70 0.00 0.00 55.95 57.61 3m3i s SER 32 Cb -0.00 1.14 -0.10 0.00 -1.71 0.00 0.00 66.02 65.34 3m3i s SER 32 CO 0.03 -0.21 1.43 -1.61 1.20 0.00 0.00 173.24 174.08 3m3i s GLU 33 N 1.84 4.24 -0.01 5.44 2.02 -1.26 -1.56 118.70 129.41 3m3i s GLU 33 Ca -0.08 2.36 -0.02 0.00 0.02 0.00 0.00 54.97 57.26 3m3i s GLU 33 Cb -0.09 -3.06 -0.01 0.00 0.10 0.00 0.00 34.13 31.07 3m3i s GLU 33 CO -0.15 -0.41 -0.04 0.28 0.02 0.00 0.00 175.26 174.96 3m3i n VAL 34 N 1.59 0.37 -4.06 2.63 0.31 -0.81 -4.91 118.33 113.44 3m3i n VAL 34 Ca 0.04 0.24 -0.13 0.00 -0.01 0.00 0.00 64.34 64.48 3m3i n VAL 34 Cb 0.40 -1.41 -0.12 0.00 -0.91 0.00 0.00 33.84 31.81 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 -1.38 0.51 -0.08 2.52 -7.23 -1.24 -5.02 120.40 108.47 3m3i s VAL 35 Ca -0.03 -1.00 0.02 0.00 -1.81 0.00 0.00 61.98 59.15 3m3i s VAL 35 Cb 0.00 -0.57 0.02 0.00 0.56 0.00 0.00 36.38 36.39 3m3i s VAL 35 CO 0.05 -0.35 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.25 3m3i s ARG 36 N -1.46 1.65 0.43 4.82 0.52 -1.26 -0.93 118.95 122.72 3m3i s ARG 36 Ca -0.09 -0.37 -0.23 0.00 -0.52 0.00 0.00 55.73 54.52 3m3i s ARG 36 Cb -0.09 -1.44 -0.11 0.00 0.52 0.00 0.00 34.95 33.82 3m3i s ARG 36 CO 0.00 -0.04 0.71 0.45 0.02 0.00 0.00 175.30 176.44 3m3i n SER 37 N 4.07 -0.15 0.10 0.23 2.88 -0.06 -4.92 113.62 115.77 3m3i n SER 37 Ca -0.21 0.94 -0.20 0.00 -1.33 0.00 0.00 58.87 58.07 3m3i n SER 37 Cb 0.51 -1.20 -0.15 0.00 -0.75 0.00 0.00 64.21 62.62 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 0.99 0.08 -2.76 -1.46 0.00 -2.00 -3.44 119.26 110.67 3m3i h ALA 38 Ca -0.42 -1.00 -0.50 0.00 0.00 0.00 0.00 54.91 52.99 3m3i h ALA 38 Cb 1.38 0.23 0.02 0.00 0.00 0.00 0.00 17.79 19.43 3m3i h ALA 38 CO 0.53 0.95 0.48 -1.58 0.00 0.00 0.00 179.25 179.63 3m3i s HIS 39 N -2.61 3.44 0.12 0.00 5.65 -1.26 -4.96 115.29 115.66 3m3i s HIS 39 Ca -0.09 1.65 0.08 0.00 0.25 0.00 0.00 55.06 56.95 3m3i s HIS 39 Cb 0.06 -3.31 -0.04 0.00 -1.18 0.00 0.00 32.58 28.11 3m3i s HIS 39 CO 0.89 -0.75 -0.14 0.15 -0.65 0.00 0.00 174.74 174.24 3m3i s LYS 40 N -1.72 1.94 0.30 2.88 1.02 -1.26 -1.46 119.74 121.45 3m3i s LYS 40 Ca 0.48 -1.12 0.03 0.00 0.02 0.00 0.00 55.97 55.38 3m3i s LYS 40 Cb -0.31 -2.20 -0.04 0.00 -0.52 0.00 0.00 37.83 34.76 3m3i s LYS 40 CO 0.40 0.49 0.15 0.14 -0.92 0.00 0.00 175.35 175.61 3m3i s VAL 41 N -1.21 0.36 -0.14 3.17 -7.23 0.11 -4.81 120.40 110.64 3m3i s VAL 41 Ca 0.20 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.14 3m3i s VAL 41 Cb -0.11 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 3m3i s VAL 41 CO 0.12 0.00 0.70 -1.81 -0.31 0.00 0.00 175.10 173.80 3m3i s ASP 42 N -3.38 6.86 1.03 4.85 1.01 -1.26 -0.51 116.67 125.27 3m3i s ASP 42 Ca 0.35 1.04 -0.04 0.00 0.71 0.00 0.00 52.55 54.62 3m3i s ASP 42 Cb 0.05 -2.40 0.06 0.00 1.01 0.00 0.00 42.92 41.65 3m3i s ASP 42 CO 0.17 -0.24 0.28 -0.46 0.21 0.00 0.00 175.17 175.13 3m3i n ASN 43 N 4.60 -0.66 0.19 0.27 6.94 0.30 -4.89 115.26 122.02 3m3i n ASN 43 Ca -0.00 -0.87 0.06 0.00 -0.02 0.00 0.00 54.58 53.75 3m3i n ASN 43 Cb 0.50 -0.23 0.53 0.00 -2.36 0.00 0.00 39.78 38.22 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 0.11 -0.59 -3.83 3.07 -1.88 -2.90 114.58 108.55 3m3i h GLU 44 Ca -0.10 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.72 3m3i h GLU 44 Cb 0.28 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 3m3i h GLU 44 CO 0.07 0.16 0.04 0.39 -1.40 0.00 0.00 179.01 178.27 3m3i n GLU 45 N -4.43 4.67 -0.45 2.33 1.02 -1.26 -4.94 120.64 117.59 3m3i n GLU 45 Ca -0.02 -3.15 0.00 0.00 -0.02 0.00 0.00 57.16 53.97 3m3i n GLU 45 Cb 0.16 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.32 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 0.45 1.38 3.87 0.62 0.00 -1.10 -5.03 105.19 105.39 3m3i n GLY 46 Ca 0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.18 6.62 -0.03 1.61 0.01 -1.26 -4.74 114.94 113.97 3m3i s ASN 47 Ca 0.00 0.76 -0.30 0.00 -0.71 0.00 0.00 52.86 52.60 3m3i s ASN 47 Cb 0.00 -2.16 -0.05 0.00 0.41 0.00 0.00 41.25 39.45 3m3i s ASN 47 CO 0.00 0.18 1.42 -0.13 -1.51 0.00 0.00 177.10 177.06 3m3i s ARG 48 N -1.91 4.26 0.06 -0.60 1.81 -1.26 -0.53 118.95 120.78 3m3i s ARG 48 Ca 0.32 1.96 0.02 0.00 -1.72 0.00 0.00 55.73 56.32 3m3i s ARG 48 Cb -0.14 -3.66 -0.03 0.00 -0.45 0.00 0.00 34.95 30.67 3m3i s ARG 48 CO 0.18 -0.64 -0.07 1.03 -0.68 0.00 0.00 175.30 175.12 3m3i s ARG 49 N 2.81 0.64 0.27 3.54 1.81 0.33 -4.92 118.95 123.43 3m3i s ARG 49 Ca 0.64 -0.98 -0.30 0.00 -1.72 0.00 0.00 55.73 53.38 3m3i s ARG 49 Cb -0.30 -0.24 -0.14 0.00 -0.45 0.00 0.00 34.95 33.82 3m3i s ARG 49 CO 0.25 0.02 1.22 0.72 -0.68 0.00 0.00 175.30 176.83 3m3i n HIS 50 N 0.88 1.80 -0.31 -0.53 8.25 -1.26 0.03 115.22 124.08 3m3i n HIS 50 Ca -0.19 0.58 0.13 0.00 -0.26 0.00 0.00 57.72 57.99 3m3i n HIS 50 Cb 0.57 -2.36 0.31 0.00 1.12 0.00 0.00 29.99 29.63 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 2.96 1.49 -2.23 -1.41 0.00 -1.53 1.19 119.26 119.72 3m3i h ALA 51 Ca -0.43 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 3m3i h ALA 51 Cb 1.31 0.09 -0.20 0.00 0.00 0.00 0.00 17.79 18.99 3m3i h ALA 51 CO 0.67 -0.28 0.00 1.52 0.00 0.00 0.00 179.25 181.16 3m3i s TYR 52 N -5.88 -0.54 0.12 0.00 -0.85 -1.26 -3.50 117.35 105.44 3m3i s TYR 52 Ca -0.11 1.08 0.10 0.00 -0.52 0.00 0.00 57.07 57.61 3m3i s TYR 52 Cb 0.25 0.27 -0.04 0.00 0.38 0.00 0.00 41.96 42.82 3m3i s TYR 52 CO 0.78 -0.45 -0.21 0.95 -1.52 0.00 0.00 175.55 175.10 3m3i s THR 53 N -0.69 2.65 0.07 -3.49 -4.23 -0.40 -0.88 115.64 108.68 3m3i s THR 53 Ca -0.08 -1.57 0.05 0.00 -1.18 0.00 0.00 61.69 58.92 3m3i s THR 53 Cb -0.03 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.59 3m3i s THR 53 CO 0.05 0.11 -0.15 0.42 -0.54 0.00 0.00 174.62 174.52 3m3i s THR 54 N -1.10 1.18 0.15 3.99 -4.23 -0.11 -1.54 115.64 113.98 3m3i s THR 54 Ca 0.16 -1.33 0.03 0.00 -1.18 0.00 0.00 61.69 59.37 3m3i s THR 54 Cb -0.10 -1.13 -0.04 0.00 1.34 0.00 0.00 72.50 72.56 3m3i s THR 54 CO 0.08 -0.20 -0.05 0.27 -0.54 0.00 0.00 174.62 174.18 3m3i s ILE 55 N -1.26 0.86 0.19 2.99 -4.36 -0.20 -1.93 121.20 117.49 3m3i s ILE 55 Ca -0.01 -1.99 -0.09 0.00 -0.26 0.00 0.00 60.65 58.30 3m3i s ILE 55 Cb -0.10 -1.91 -0.07 0.00 1.25 0.00 0.00 42.46 41.63 3m3i s ILE 55 CO 0.02 -0.68 0.50 -0.31 0.24 0.00 0.00 174.94 174.72 3m3i s TYR 56 N -3.53 3.46 -0.06 1.37 2.02 -0.60 -1.50 117.35 118.52 3m3i s TYR 56 Ca 0.18 0.81 -0.02 0.00 -0.37 0.00 0.00 57.07 57.67 3m3i s TYR 56 Cb 0.05 -2.21 0.04 0.00 -0.40 0.00 0.00 41.96 39.44 3m3i s TYR 56 CO 0.00 0.34 0.12 0.12 -1.57 0.00 0.00 175.55 174.56 3m3i s PHE 57 N -1.72 -0.12 -0.11 2.71 5.36 0.13 -2.11 117.98 122.11 3m3i s PHE 57 Ca 0.44 0.42 0.03 0.00 -0.96 0.00 0.00 56.93 56.86 3m3i s PHE 57 Cb -0.12 -0.14 0.01 0.00 -0.34 0.00 0.00 43.02 42.43 3m3i s PHE 57 CO 0.21 -0.16 -0.20 -1.17 -1.46 0.00 0.00 175.22 172.44 3m3i s LEU 58 N 1.27 1.98 0.01 6.12 0.20 0.20 -1.02 118.68 127.43 3m3i s LEU 58 Ca -0.08 -0.52 0.08 0.00 0.69 0.00 0.00 54.13 54.30 3m3i s LEU 58 Cb -0.12 -1.29 -0.02 0.00 -0.43 0.00 0.00 46.19 44.33 3m3i s LEU 58 CO -0.05 0.10 -0.24 0.00 -0.29 0.00 0.00 176.35 175.86 3m3i s THR 60 N -0.66 1.41 0.30 0.00 -4.23 -1.26 -0.63 115.64 110.57 3m3i s THR 60 Ca 0.10 -2.12 0.02 0.00 -1.18 0.00 0.00 61.69 58.50 3m3i s THR 60 Cb -0.09 -1.98 0.29 0.00 1.34 0.00 0.00 72.50 72.06 3m3i s THR 60 CO 0.00 -0.65 1.86 -0.65 -0.54 0.00 0.00 174.62 174.65 3m3i h PRO 61 N 2.66 0.95 -0.00 3.99 0.11 -1.77 -1.05 132.00 136.89 3m3i h PRO 61 Ca -0.37 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3m3i h PRO 61 Cb 1.21 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3m3i h PRO 61 CO 0.63 0.63 -0.02 0.39 -0.21 0.00 0.00 178.00 179.42 3m3i n GLU 62 N -4.57 0.67 -3.18 1.05 1.02 -1.26 -4.37 120.64 110.01 3m3i n GLU 62 Ca 0.17 -0.05 -0.18 0.00 -0.02 0.00 0.00 57.16 57.07 3m3i n GLU 62 Cb 0.32 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.21 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 -1.12 0.71 -4.05 1.62 2.88 -0.40 -5.03 113.62 108.23 3m3i n SER 63 Ca 0.17 -2.99 -0.29 0.00 -1.33 0.00 0.00 58.87 54.43 3m3i n SER 63 Cb 0.21 -0.57 0.25 0.00 -0.75 0.00 0.00 64.21 63.34 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 -2.27 -1.42 -0.17 -1.46 0.04 -1.22 -1.81 135.00 126.69 3m3i s PRO 64 Ca 0.39 0.33 -0.02 0.00 0.04 0.00 0.00 61.00 61.74 3m3i s PRO 64 Cb 0.33 -1.54 -0.01 0.00 0.04 0.00 0.00 34.50 33.32 3m3i s PRO 64 CO -0.08 -3.92 -0.10 0.45 0.04 0.00 0.00 177.00 173.39 3m3i s SER 65 N -3.21 4.09 0.69 6.66 0.15 0.29 -3.06 113.70 119.30 3m3i s SER 65 Ca 0.69 -0.37 -0.11 0.00 0.70 0.00 0.00 55.95 56.86 3m3i s SER 65 Cb -0.17 -1.66 0.01 0.00 -1.71 0.00 0.00 66.02 62.50 3m3i s SER 65 CO 0.59 0.08 1.06 -1.00 1.20 0.00 0.00 173.24 175.17 3m3i s HIS 66 N 0.89 3.31 0.38 3.44 3.76 -0.51 -1.03 115.29 125.52 3m3i s HIS 66 Ca -0.02 0.98 -0.28 0.00 -0.15 0.00 0.00 55.06 55.59 3m3i s HIS 66 Cb -0.15 -3.02 -0.11 0.00 1.11 0.00 0.00 32.58 30.42 3m3i s HIS 66 CO 0.00 -1.12 1.41 1.28 -0.85 0.00 0.00 174.74 175.46 3m3i n LEU 67 N -2.94 4.40 -3.68 0.89 4.77 -0.92 -4.58 117.00 114.95 3m3i n LEU 67 Ca 0.06 1.20 -0.06 0.00 -0.03 0.00 0.00 56.01 57.19 3m3i n LEU 67 Cb 0.57 -1.57 -0.02 0.00 -2.33 0.00 0.00 43.42 40.07 3m3i n LEU 67 CO 0.57 -0.12 0.64 -1.38 -1.33 0.00 0.00 177.39 175.77 3m3i s HIS 68 N -1.12 -0.23 0.01 -1.77 -3.43 0.01 -3.40 115.29 105.35 3m3i s HIS 68 Ca 0.55 -0.06 0.02 0.00 -0.80 0.00 0.00 55.06 54.77 3m3i s HIS 68 Cb -0.50 0.62 -0.01 0.00 -1.43 0.00 0.00 32.58 31.26 3m3i s HIS 68 CO 0.62 -0.83 -0.06 0.50 -2.00 0.00 0.00 174.74 172.97 3m3i s ARG 69 N -3.40 0.43 0.47 -0.38 3.52 -0.25 -1.64 118.95 117.71 3m3i s ARG 69 Ca 0.09 -0.34 0.04 0.00 -0.13 0.00 0.00 55.73 55.39 3m3i s ARG 69 Cb -0.02 -0.35 0.04 0.00 -1.56 0.00 0.00 34.95 33.06 3m3i s ARG 69 CO -0.01 0.09 0.30 1.28 -0.81 0.00 0.00 175.30 176.15 3m3i n LEU 70 N 2.52 0.00 -0.41 -0.88 4.77 -1.26 -1.95 117.00 119.78 3m3i n LEU 70 Ca -0.16 -2.51 0.05 0.00 -0.03 0.00 0.00 56.01 53.37 3m3i n LEU 70 Cb 0.57 0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.72 3m3i n LEU 70 CO 0.24 -0.52 0.42 0.00 -1.33 0.00 0.00 177.39 176.20 3m3i s SER 72 N -0.86 1.18 0.29 0.00 0.01 -1.26 -4.59 113.70 108.47 3m3i s SER 72 Ca 0.12 -0.80 -0.30 0.00 1.31 0.00 0.00 55.95 56.28 3m3i s SER 72 Cb 0.09 0.05 -0.11 0.00 0.21 0.00 0.00 66.02 66.25 3m3i s SER 72 CO 0.13 -0.31 1.56 -1.81 0.41 0.00 0.00 173.24 173.21 3m3i s ASP 73 N -2.40 6.42 -0.17 2.44 -0.00 -1.25 -4.00 116.67 117.71 3m3i s ASP 73 Ca 0.03 2.91 -0.03 0.00 -0.00 0.00 0.00 52.55 55.46 3m3i s ASP 73 Cb -0.02 -2.64 -0.02 0.00 -0.00 0.00 0.00 42.92 40.25 3m3i s ASP 73 CO -0.02 -0.87 -0.06 -0.70 -0.00 0.00 0.00 175.17 173.52 3m3i s GLU 74 N -0.62 3.50 -0.18 8.23 2.12 -0.32 -2.45 118.70 128.98 3m3i s GLU 74 Ca 0.62 -0.60 -0.07 0.00 0.36 0.00 0.00 54.97 55.28 3m3i s GLU 74 Cb -0.47 -2.87 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 3m3i s GLU 74 CO 0.48 0.09 0.05 0.99 -0.54 0.00 0.00 175.26 176.34 3m3i s THR 75 N 0.73 4.71 -0.12 -1.70 2.01 -0.39 0.11 115.64 120.99 3m3i s THR 75 Ca -0.03 -0.06 -0.03 0.00 0.31 0.00 0.00 61.69 61.88 3m3i s THR 75 Cb -0.15 -3.12 -0.03 0.00 0.01 0.00 0.00 72.50 69.21 3m3i s THR 75 CO 0.02 0.46 -0.03 0.26 -0.69 0.00 0.00 174.62 174.64 3m3i s TRP 76 N 0.39 3.05 -0.10 4.92 0.52 0.13 -1.73 118.94 126.11 3m3i s TRP 76 Ca 0.02 -0.10 0.03 0.00 0.02 0.00 0.00 56.10 56.07 3m3i s TRP 76 Cb -0.13 -1.87 0.01 0.00 -1.15 0.00 0.00 33.47 30.33 3m3i s TRP 76 CO 0.00 0.17 -0.19 -1.64 0.02 0.00 0.00 176.95 175.31 3m3i s MET 77 N -0.17 2.59 0.13 4.98 -1.94 0.10 -1.18 119.30 123.79 3m3i s MET 77 Ca 0.04 -0.71 -0.31 0.00 -1.71 0.00 0.00 55.69 53.00 3m3i s MET 77 Cb -0.13 -2.06 -0.08 0.00 2.01 0.00 0.00 34.83 34.57 3m3i s MET 77 CO 0.02 0.05 1.35 -0.47 -0.01 0.00 0.00 175.02 175.96 3m3i s TYR 78 N 0.67 3.27 -0.07 -0.03 6.14 0.23 -1.96 117.35 125.60 3m3i s TYR 78 Ca -0.12 1.05 -0.00 0.00 0.64 0.00 0.00 57.07 58.63 3m3i s TYR 78 Cb -0.16 -3.63 -0.04 0.00 0.42 0.00 0.00 41.96 38.54 3m3i s TYR 78 CO 0.03 -2.14 -0.07 0.72 0.64 0.00 0.00 175.55 174.73 3m3i n HIS 79 N 3.67 0.00 -3.58 4.97 8.25 -0.57 -4.93 115.22 123.03 3m3i n HIS 79 Ca 0.10 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.49 3m3i n HIS 79 Cb 0.43 -0.27 -0.04 0.00 1.12 0.00 0.00 29.99 31.23 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 -2.14 -1.98 0.00 -1.41 0.00 -1.13 -5.03 121.76 110.07 3m3i s ALA 80 Ca -0.10 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.42 3m3i s ALA 80 Cb 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.57 3m3i s ALA 80 CO 0.16 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.92 3m3i n GLY 81 N 0.39 -1.45 3.66 0.00 0.00 -1.26 -1.83 105.19 104.70 3m3i n GLY 81 Ca -0.06 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 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 2.89 0.33 1.61 1.01 -0.33 -4.93 116.67 113.25 3m3i s ASP 82 Ca 0.00 1.83 -0.29 0.00 0.71 0.00 0.00 52.55 54.80 3m3i s ASP 82 Cb 0.00 -2.41 -0.10 0.00 1.01 0.00 0.00 42.92 41.41 3m3i s ASP 82 CO 0.00 -3.06 1.38 -2.16 0.21 0.00 0.00 175.17 171.54 3m3i s PRO 83 N -4.72 4.28 -0.13 8.23 0.04 -1.26 -4.46 135.00 136.98 3m3i s PRO 83 Ca 0.65 2.33 -0.28 0.00 0.04 0.00 0.00 61.00 63.74 3m3i s PRO 83 Cb -0.21 -3.05 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 3m3i s PRO 83 CO 0.59 -0.32 0.93 -1.17 0.04 0.00 0.00 177.00 177.07 3m3i s LEU 84 N -1.64 4.22 -0.44 -3.56 2.96 -0.36 -4.72 118.68 115.13 3m3i s LEU 84 Ca 0.52 1.37 -0.23 0.00 -0.22 0.00 0.00 54.13 55.57 3m3i s LEU 84 Cb -0.42 -3.41 0.02 0.00 0.50 0.00 0.00 46.19 42.89 3m3i s LEU 84 CO 0.54 -0.42 0.77 -1.10 -1.32 0.00 0.00 176.35 174.82 3m3i s GLN 85 N 2.05 3.42 -0.28 1.98 -0.21 0.85 -0.51 119.66 126.97 3m3i s GLN 85 Ca 0.44 -0.09 -0.15 0.00 0.02 0.00 0.00 55.36 55.57 3m3i s GLN 85 Cb -0.17 -3.93 -0.03 0.00 1.00 0.00 0.00 33.01 29.87 3m3i s GLN 85 CO 0.15 -1.08 0.39 -0.51 -2.12 0.00 0.00 175.29 172.12 3m3i s LEU 86 N 3.23 4.08 -0.44 2.90 1.43 0.17 -0.66 118.68 129.39 3m3i s LEU 86 Ca 0.29 0.26 -0.17 0.00 -1.03 0.00 0.00 54.13 53.48 3m3i s LEU 86 Cb -0.12 -2.45 0.03 0.00 0.03 0.00 0.00 46.19 43.69 3m3i s LEU 86 CO 0.22 -0.21 0.44 -1.00 0.23 0.00 0.00 176.35 176.02 3m3i s HIS 87 N 2.10 3.17 -0.21 0.29 3.76 0.33 -0.56 115.29 124.18 3m3i s HIS 87 Ca 0.15 -0.51 0.01 0.00 -0.15 0.00 0.00 55.06 54.56 3m3i s HIS 87 Cb -0.16 -2.98 0.03 0.00 1.11 0.00 0.00 32.58 30.58 3m3i s HIS 87 CO 0.10 -0.75 -0.15 0.08 -0.85 0.00 0.00 174.74 173.18 3m3i s VAL 88 N 2.06 2.26 -0.47 -0.90 1.01 0.37 -1.63 120.40 123.10 3m3i s VAL 88 Ca 0.10 -1.14 -0.12 0.00 0.00 0.00 0.00 61.98 60.83 3m3i s VAL 88 Cb -0.19 -2.10 0.10 0.00 0.00 0.00 0.00 36.38 34.20 3m3i s VAL 88 CO 0.12 0.32 0.37 -0.63 0.00 0.00 0.00 175.10 175.28 3m3i s ILE 89 N 1.25 4.61 0.10 2.22 1.01 0.18 -0.22 121.20 130.35 3m3i s ILE 89 Ca 0.00 -1.50 -0.30 0.00 0.00 0.00 0.00 60.65 58.85 3m3i s ILE 89 Cb -0.16 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 38.34 3m3i s ILE 89 CO -0.09 -0.69 0.96 -0.76 0.00 0.00 0.00 174.94 174.35 3m3i s LEU 90 N 1.48 4.49 0.07 2.97 1.43 -0.84 -0.57 118.68 127.70 3m3i s LEU 90 Ca 0.04 1.78 -0.34 0.00 -1.03 0.00 0.00 54.13 54.58 3m3i s LEU 90 Cb -0.26 -3.58 -0.19 0.00 0.03 0.00 0.00 46.19 42.18 3m3i s LEU 90 CO 0.02 -0.08 1.61 0.50 0.23 0.00 0.00 176.35 178.63 3m3i h LYS 91 N 5.65 -0.98 -5.57 1.70 3.64 -1.90 -3.16 116.57 115.95 3m3i h LYS 91 Ca -0.43 0.07 -0.50 0.00 -1.27 0.00 0.00 60.65 58.52 3m3i h LYS 91 Cb 1.21 0.22 -0.14 0.00 -0.41 0.00 0.00 32.23 33.11 3m3i h LYS 91 CO 0.72 -0.65 -0.69 -0.51 -2.27 0.00 0.00 179.45 176.04 3m3i s ASP 92 N -4.30 2.80 -0.92 4.20 1.01 -1.26 -0.47 116.67 117.73 3m3i s ASP 92 Ca -0.18 -1.15 -0.24 0.00 0.71 0.00 0.00 52.55 51.69 3m3i s ASP 92 Cb 0.03 -0.17 -0.20 0.00 1.01 0.00 0.00 42.92 43.59 3m3i s ASP 92 CO 0.61 -0.28 2.09 -2.65 0.21 0.00 0.00 175.17 175.15 3m3i n PRO 93 N -0.55 0.19 -0.25 8.23 -0.02 -1.26 -4.61 135.00 136.72 3m3i n PRO 93 Ca -0.06 -1.31 0.06 0.00 -2.02 0.00 0.00 63.50 60.18 3m3i n PRO 93 Cb 0.63 -3.54 0.18 0.00 -0.02 0.00 0.00 33.50 30.75 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 7.89 2.91 0.19 -0.52 6.02 -1.26 -4.33 117.38 128.27 3m3i n GLN 94 Ca 0.40 -2.25 0.05 0.00 -0.01 0.00 0.00 57.00 55.19 3m3i n GLN 94 Cb 0.45 -1.41 0.34 0.00 1.02 0.00 0.00 30.24 30.65 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 2.11 0.00 0.58 1.08 3.32 -1.96 -3.31 116.42 118.23 3m3i h ASP 95 Ca 0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 3m3i h ASP 95 Cb 0.90 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 3m3i h ASP 95 CO 0.05 0.39 -0.98 -0.33 -1.72 0.00 0.00 179.24 176.65 3m3i h GLU 96 N 0.00 0.24 0.00 3.56 4.39 -1.98 -3.26 114.58 117.53 3m3i h GLU 96 Ca -0.00 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.40 3m3i h GLU 96 Cb 0.86 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 3m3i h GLU 96 CO 0.05 1.04 0.00 -0.25 -1.16 0.00 0.00 179.01 178.69 3m3i n ASP 97 N -3.63 0.45 -0.00 1.42 9.92 -1.25 -5.27 116.55 118.19 3m3i n ASP 97 Ca -0.05 0.55 0.00 0.00 -0.53 0.00 0.00 54.79 54.76 3m3i n ASP 97 Cb 0.87 -0.67 -0.01 0.00 -0.64 0.00 0.00 41.12 40.67 3m3i n ASP 97 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 3m3i n ARG 98 N -1.93 1.56 0.00 -1.24 -4.01 -1.24 -5.19 116.66 104.62 3m3i n ARG 98 Ca 0.06 -0.01 0.00 0.00 -1.04 0.00 0.00 57.85 56.86 3m3i n ARG 98 Cb 0.38 -1.04 0.00 0.00 -3.04 0.00 0.00 32.46 28.76 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 -1.76 0.00 -2.14 2.89 0.00 -1.26 -5.12 116.66 109.27 3m3i n ARG 117 Ca -0.01 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.47 3m3i n ARG 117 Cb 0.25 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.71 3m3i n ARG 117 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 3m3i s PRO 118 N 0.00 3.51 0.31 -0.14 0.02 -1.26 -5.04 135.00 132.39 3m3i s PRO 118 Ca 0.00 1.84 0.07 0.00 0.02 0.00 0.00 61.00 62.94 3m3i s PRO 118 Cb 0.00 -2.27 -0.03 0.00 0.02 0.00 0.00 34.50 32.22 3m3i s PRO 118 CO 0.00 -0.78 0.26 0.15 -0.33 0.00 0.00 177.00 176.30 3m3i s LYS 119 N -2.88 2.80 -1.40 5.54 -0.14 -1.26 -4.68 119.74 117.72 3m3i s LYS 119 Ca 0.68 -1.21 -0.09 0.00 -1.36 0.00 0.00 55.97 53.99 3m3i s LYS 119 Cb -0.30 -2.51 0.06 0.00 -1.68 0.00 0.00 37.83 33.40 3m3i s LYS 119 CO 0.36 0.20 0.61 0.66 -0.76 0.00 0.00 175.35 176.42 3m3i n TYR 120 N -1.30 -1.92 0.74 3.18 4.01 0.38 -4.87 117.16 117.37 3m3i n TYR 120 Ca -0.04 0.57 0.13 0.00 -0.16 0.00 0.00 57.90 58.39 3m3i n TYR 120 Cb 0.59 -3.48 0.35 0.00 -0.31 0.00 0.00 39.34 36.49 3m3i n TYR 120 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3m3i n GLN 121 N -3.98 0.18 -4.55 -0.72 6.02 -1.26 -4.86 117.38 108.21 3m3i n GLN 121 Ca -0.02 0.10 -0.32 0.00 -0.01 0.00 0.00 57.00 56.75 3m3i n GLN 121 Cb 0.55 -1.66 -0.16 0.00 1.02 0.00 0.00 30.24 29.99 3m3i n GLN 121 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3m3i s VAL 122 N -3.09 1.96 -0.04 5.09 1.01 -1.26 -5.08 120.40 118.99 3m3i s VAL 122 Ca 0.10 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 3m3i s VAL 122 Cb 0.15 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3m3i s VAL 122 CO 0.64 0.53 0.02 -0.47 0.00 0.00 0.00 175.10 175.82 3m3i s TYR 123 N 0.92 3.16 -0.02 5.22 5.04 -1.26 -1.99 117.35 128.42 3m3i s TYR 123 Ca -0.05 0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.74 3m3i s TYR 123 Cb -0.15 -1.74 0.02 0.00 0.35 0.00 0.00 41.96 40.44 3m3i s TYR 123 CO -0.04 0.49 -0.00 1.03 -1.34 0.00 0.00 175.55 175.69 3m3i s ARG 124 N -1.31 0.24 -0.32 4.97 0.52 0.69 -5.01 118.95 118.73 3m3i s ARG 124 Ca 0.18 0.04 -0.12 0.00 -0.52 0.00 0.00 55.73 55.31 3m3i s ARG 124 Cb -0.12 -0.38 -0.02 0.00 0.52 0.00 0.00 34.95 34.95 3m3i s ARG 124 CO 0.08 -0.09 0.21 0.50 0.02 0.00 0.00 175.30 176.01 3m3i s ARG 125 N 0.75 3.53 -0.18 3.54 3.52 -1.26 -0.48 118.95 128.37 3m3i s ARG 125 Ca -0.07 -0.61 -0.06 0.00 -0.13 0.00 0.00 55.73 54.87 3m3i s ARG 125 Cb -0.10 -3.71 -0.03 0.00 -1.56 0.00 0.00 34.95 29.54 3m3i s ARG 125 CO -0.01 -0.39 0.01 0.08 -0.81 0.00 0.00 175.30 174.18 3m3i s VAL 126 N 1.70 4.28 -0.35 7.11 1.01 0.28 -4.93 120.40 129.50 3m3i s VAL 126 Ca 0.06 -0.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 3m3i s VAL 126 Cb -0.17 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.30 3m3i s VAL 126 CO 0.09 0.46 0.64 -0.76 0.00 0.00 0.00 175.10 175.53 3m3i s LEU 127 N 0.52 4.24 -0.52 3.92 1.43 -1.26 0.44 118.68 127.45 3m3i s LEU 127 Ca -0.00 0.19 -0.23 0.00 -1.03 0.00 0.00 54.13 53.06 3m3i s LEU 127 Cb -0.14 -2.79 0.04 0.00 0.03 0.00 0.00 46.19 43.33 3m3i s LEU 127 CO 0.02 -0.58 0.87 -0.69 0.23 0.00 0.00 176.35 176.20 3m3i s VAL 128 N 2.70 4.50 0.19 -1.59 1.01 0.34 -1.21 120.40 126.34 3m3i s VAL 128 Ca 0.25 0.25 -0.22 0.00 0.00 0.00 0.00 61.98 62.26 3m3i s VAL 128 Cb -0.14 -4.46 0.08 0.00 0.00 0.00 0.00 36.38 31.85 3m3i s VAL 128 CO 0.14 -0.98 1.04 -0.83 0.00 0.00 0.00 175.10 174.48 3m3i s GLY 129 N 2.64 0.13 0.10 4.51 0.00 -0.26 -1.22 107.32 113.21 3m3i s GLY 129 Ca 0.29 -0.36 0.19 0.00 0.00 0.00 0.00 44.72 44.84 3m3i s GLY 129 CO 0.20 2.62 0.86 0.00 0.00 0.00 0.00 173.10 176.78 3m3i n ALA 130 N -0.72 2.16 -2.10 3.20 0.00 -1.26 -2.68 120.51 119.11 3m3i n ALA 130 Ca -0.03 -0.45 -0.42 0.00 0.00 0.00 0.00 53.44 52.54 3m3i n ALA 130 Cb 0.59 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.78 3.02 0.25 0.00 1.74 -1.26 -4.77 116.66 112.86 3m3i n ARG 131 Ca -0.07 -2.92 0.17 0.00 -0.77 0.00 0.00 57.85 54.26 3m3i n ARG 131 Cb 0.74 -3.35 0.80 0.00 -1.02 0.00 0.00 32.46 29.63 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 4.59 0.00 0.00 1.55 -1.51 -1.82 -1.70 116.25 117.36 3m3i h VAL 132 Ca 0.51 -0.22 -0.02 0.00 -1.23 0.00 0.00 66.70 65.74 3m3i h VAL 132 Cb 0.73 1.09 -0.00 0.00 -2.13 0.00 0.00 31.29 30.98 3m3i h VAL 132 CO 1.70 0.00 -0.12 1.05 -1.23 0.00 0.00 177.57 178.98 3m3i h GLU 133 N 0.00 0.00 -0.65 5.19 9.09 -1.86 -2.89 114.58 123.46 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 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.35 3m3i h GLU 133 CO 0.00 0.12 0.00 0.54 0.05 0.00 0.00 179.01 179.72 3m3i n ARG 134 N -3.33 2.64 -0.44 1.06 1.74 -0.65 -4.94 116.66 112.74 3m3i n ARG 134 Ca -0.00 -2.53 0.00 0.00 -0.77 0.00 0.00 57.85 54.54 3m3i n ARG 134 Cb 0.33 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 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 1.62 0.78 3.84 -0.13 0.00 -1.09 -5.07 105.19 105.14 3m3i n GLY 135 Ca 0.23 0.00 -0.32 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 -0.56 3.67 -0.13 1.61 2.02 -1.18 -4.72 118.70 119.42 3m3i s GLU 136 Ca 0.00 0.92 0.01 0.00 0.02 0.00 0.00 54.97 55.92 3m3i s GLU 136 Cb 0.00 -2.09 0.02 0.00 0.10 0.00 0.00 34.13 32.16 3m3i s GLU 136 CO 0.00 -0.51 -0.15 -0.51 0.02 0.00 0.00 175.26 174.11 3m3i s LEU 137 N -4.62 1.74 0.38 1.80 1.43 -0.35 -4.20 118.68 114.87 3m3i s LEU 137 Ca 0.58 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 53.28 3m3i s LEU 137 Cb -0.11 -1.16 0.80 0.00 0.03 0.00 0.00 46.19 45.75 3m3i s LEU 137 CO 0.42 -0.01 1.99 -0.07 0.23 0.00 0.00 176.35 178.90 3m3i h LEU 138 N 7.68 0.58 -7.66 1.79 3.38 -1.83 -0.69 115.31 118.56 3m3i h LEU 138 Ca -0.34 -0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.37 3m3i h LEU 138 Cb 1.16 -0.13 -0.30 0.00 0.09 0.00 0.00 40.66 41.48 3m3i h LEU 138 CO 0.51 0.39 -0.72 -1.58 0.09 0.00 0.00 178.44 177.12 3m3i s GLN 139 N -5.59 0.00 -0.21 1.13 0.74 -1.26 -0.60 119.66 113.87 3m3i s GLN 139 Ca -0.09 0.06 -0.16 0.00 0.05 0.00 0.00 55.36 55.21 3m3i s GLN 139 Cb 0.19 -0.10 0.06 0.00 1.10 0.00 0.00 33.01 34.25 3m3i s GLN 139 CO 0.76 -0.06 0.54 -0.47 -0.55 0.00 0.00 175.29 175.51 3m3i s TYR 140 N 0.38 -0.68 -0.23 1.67 5.04 -0.33 -4.97 117.35 118.24 3m3i s TYR 140 Ca -0.03 1.54 -0.09 0.00 -2.44 0.00 0.00 57.07 56.05 3m3i s TYR 140 Cb -0.05 0.29 -0.04 0.00 0.35 0.00 0.00 41.96 42.51 3m3i s TYR 140 CO -0.01 -0.34 0.11 0.99 -1.34 0.00 0.00 175.55 174.96 3m3i s THR 141 N 0.74 4.90 -0.39 4.34 2.01 -1.26 0.18 115.64 126.16 3m3i s THR 141 Ca -0.04 0.02 -0.24 0.00 0.31 0.00 0.00 61.69 61.75 3m3i s THR 141 Cb -0.05 -3.26 0.02 0.00 0.01 0.00 0.00 72.50 69.21 3m3i s THR 141 CO -0.05 0.38 0.81 -0.69 -0.69 0.00 0.00 174.62 174.37 3m3i s VAL 142 N 1.01 4.67 0.40 3.82 1.01 0.31 -4.95 120.40 126.68 3m3i s VAL 142 Ca 0.05 0.80 -0.25 0.00 0.00 0.00 0.00 61.98 62.58 3m3i s VAL 142 Cb -0.14 -4.27 -0.08 0.00 0.00 0.00 0.00 36.38 31.89 3m3i s VAL 142 CO 0.04 -0.55 1.21 -2.84 0.00 0.00 0.00 175.10 172.96 3m3i s PRO 143 N 3.25 4.01 0.11 2.72 0.02 -1.26 -1.17 135.00 142.67 3m3i s PRO 143 Ca 0.32 1.94 -0.36 0.00 0.02 0.00 0.00 61.00 62.93 3m3i s PRO 143 Cb -0.12 -2.69 -0.16 0.00 0.02 0.00 0.00 34.50 31.55 3m3i s PRO 143 CO 0.19 -0.39 1.45 0.41 -0.33 0.00 0.00 177.00 178.33 3m3i n GLY 144 N 0.65 0.75 0.00 0.52 0.00 -1.26 -2.02 105.19 103.84 3m3i n GLY 144 Ca 0.04 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 2.93 2.05 3.75 -0.02 0.00 -1.13 -4.84 105.19 107.92 3m3i n GLY 145 Ca 0.18 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3m3i n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3i n ALA 146 N 0.00 2.35 -2.69 4.61 0.00 -0.86 -4.60 120.51 119.33 3m3i n ALA 146 Ca 0.00 0.36 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 3m3i n ALA 146 Cb 0.00 -2.43 -0.04 0.00 0.00 0.00 0.00 19.45 16.98 3m3i n ALA 146 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3m3i s ILE 147 N -0.43 4.96 0.19 0.00 1.01 0.26 -4.44 121.20 122.74 3m3i s ILE 147 Ca 0.60 1.54 -0.12 0.00 0.00 0.00 0.00 60.65 62.67 3m3i s ILE 147 Cb -0.50 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 37.88 3m3i s ILE 147 CO 0.54 0.12 0.38 0.72 0.00 0.00 0.00 174.94 176.71 3m3i s PHE 148 N 1.58 0.25 0.25 3.97 -0.71 -0.65 0.52 117.98 123.17 3m3i s PHE 148 Ca 0.38 -0.60 -0.22 0.00 -1.04 0.00 0.00 56.93 55.45 3m3i s PHE 148 Cb -0.17 0.11 0.04 0.00 -1.21 0.00 0.00 43.02 41.79 3m3i s PHE 148 CO 0.15 -0.82 0.82 0.20 -1.34 0.00 0.00 175.22 174.23 3m3i s GLY 149 N -2.95 -0.08 0.08 1.99 0.00 -0.65 -0.81 107.32 104.90 3m3i s GLY 149 Ca 0.16 -0.22 0.03 0.00 0.00 0.00 0.00 44.72 44.69 3m3i s GLY 149 CO 0.01 0.03 -0.10 -1.35 0.00 0.00 0.00 173.10 171.69 3m3i s SER 150 N -2.97 1.27 0.28 1.64 1.04 -0.20 -0.51 113.70 114.26 3m3i s SER 150 Ca 0.12 -0.72 -0.14 0.00 0.48 0.00 0.00 55.95 55.69 3m3i s SER 150 Cb -0.04 0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.10 3m3i s SER 150 CO 0.06 -0.24 0.57 -0.94 0.98 0.00 0.00 173.24 173.67 3m3i s SER 151 N -2.14 -0.02 -0.02 7.02 1.04 0.16 -0.55 113.70 119.20 3m3i s SER 151 Ca 0.00 -0.93 0.01 0.00 0.48 0.00 0.00 55.95 55.51 3m3i s SER 151 Cb -0.05 0.66 0.02 0.00 0.10 0.00 0.00 66.02 66.74 3m3i s SER 151 CO -0.00 -1.26 -0.01 -0.69 0.98 0.00 0.00 173.24 172.26 3m3i s VAL 152 N -3.72 0.17 0.50 5.02 1.01 -1.26 -0.11 120.40 122.01 3m3i s VAL 152 Ca 0.20 0.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.99 3m3i s VAL 152 Cb -0.02 -0.24 -0.07 0.00 0.00 0.00 0.00 36.38 36.04 3m3i s VAL 152 CO 0.10 0.12 1.19 0.00 0.00 0.00 0.00 175.10 176.51 3m3i n ALA 153 N 3.86 0.98 0.04 5.51 0.00 -1.26 -4.04 120.51 125.60 3m3i n ALA 153 Ca -0.24 0.16 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 3m3i n ALA 153 Cb 0.52 -2.23 -0.08 0.00 0.00 0.00 0.00 19.45 17.66 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 1.45 0.65 -4.03 0.00 0.00 -1.89 -3.41 119.26 112.04 3m3i h ALA 154 Ca -0.48 -0.90 -0.28 0.00 0.00 0.00 0.00 54.91 53.24 3m3i h ALA 154 Cb 1.32 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 19.25 3m3i h ALA 154 CO 0.57 1.02 -0.21 -0.25 0.00 0.00 0.00 179.25 180.38 3m3i n ASP 155 N -3.02 -0.95 0.00 0.00 9.92 -1.26 -4.83 116.55 116.41 3m3i n ASP 155 Ca -0.08 -2.64 0.00 0.00 -0.53 0.00 0.00 54.79 51.54 3m3i n ASP 155 Cb 0.87 1.86 0.00 0.00 -0.64 0.00 0.00 41.12 43.22 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 -0.49 -2.10 0.22 0.44 0.00 -1.24 -3.36 105.19 98.66 3m3i n GLY 156 Ca 0.02 -1.46 0.05 0.00 0.00 0.00 0.00 46.02 44.63 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 1.64 -0.42 4.61 0.00 -2.01 -1.32 119.26 121.77 3m3i h ALA 157 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3m3i h ALA 157 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3m3i h ALA 157 CO 0.00 0.27 0.00 -0.25 0.00 0.00 0.00 179.25 179.27 3m3i n ASP 158 N -4.30 2.50 -3.16 0.00 8.00 -1.26 -4.71 116.55 113.62 3m3i n ASP 158 Ca -0.02 -2.07 -0.16 0.00 0.71 0.00 0.00 54.79 53.25 3m3i n ASP 158 Cb 0.26 -0.33 -0.05 0.00 -0.02 0.00 0.00 41.12 40.98 3m3i n ASP 158 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3m3i s GLY 159 N -0.93 -0.01 0.00 0.44 0.00 -0.50 -4.17 107.32 102.16 3m3i s GLY 159 Ca 0.29 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.68 3m3i s GLY 159 CO 0.18 2.84 0.00 -1.06 0.00 0.00 0.00 173.10 175.07 3m3i n GLN 160 N 3.24 0.60 0.11 2.90 6.02 -1.26 -3.70 117.38 125.29 3m3i n GLN 160 Ca 0.21 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.16 3m3i n GLN 160 Cb 0.50 -0.69 0.09 0.00 1.02 0.00 0.00 30.24 31.17 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 0.00 0.79 0.00 -1.58 0.00 -1.94 -3.48 119.26 113.05 3m3i h ALA 161 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3m3i h ALA 161 Cb 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3m3i h ALA 161 CO 0.00 0.84 0.00 0.41 0.00 0.00 0.00 179.25 180.50 3m3i n GLY 162 N 0.49 0.78 3.75 0.00 0.00 -1.26 -4.63 105.19 104.31 3m3i n GLY 162 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.22 -0.14 0.00 1.61 -0.85 -1.26 -4.40 117.35 110.09 3m3i s TYR 163 Ca 0.00 -0.17 0.02 0.00 -0.52 0.00 0.00 57.07 56.40 3m3i s TYR 163 Cb 0.00 0.64 -0.01 0.00 0.38 0.00 0.00 41.96 42.97 3m3i s TYR 163 CO 0.00 -0.84 -0.06 0.45 -1.52 0.00 0.00 175.55 173.58 3m3i s SER 164 N -2.93 0.73 -0.08 -0.18 0.15 0.20 -1.19 113.70 110.40 3m3i s SER 164 Ca 0.12 -0.16 0.02 0.00 0.70 0.00 0.00 55.95 56.63 3m3i s SER 164 Cb -0.02 -0.07 0.01 0.00 -1.71 0.00 0.00 66.02 64.24 3m3i s SER 164 CO 0.02 0.04 -0.13 -0.22 1.20 0.00 0.00 173.24 174.16 3m3i s LEU 165 N -0.31 1.63 0.10 3.45 2.96 -0.76 -1.22 118.68 124.53 3m3i s LEU 165 Ca 0.01 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.57 3m3i s LEU 165 Cb -0.03 -0.91 -0.04 0.00 0.50 0.00 0.00 46.19 45.71 3m3i s LEU 165 CO -0.00 0.02 0.03 0.68 -1.32 0.00 0.00 176.35 175.75 3m3i s VAL 166 N 0.84 0.16 -0.02 1.68 -7.23 -0.19 -1.51 120.40 114.12 3m3i s VAL 166 Ca -0.11 -1.88 -0.01 0.00 -1.81 0.00 0.00 61.98 58.17 3m3i s VAL 166 Cb -0.15 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 3m3i s VAL 166 CO 0.02 -0.65 0.08 -0.44 -0.31 0.00 0.00 175.10 173.80 3m3i s SER 167 N -3.01 5.68 0.10 4.85 0.01 -0.83 -0.69 113.70 119.81 3m3i s SER 167 Ca 0.18 0.17 0.09 0.00 1.31 0.00 0.00 55.95 57.70 3m3i s SER 167 Cb 0.08 -1.65 -0.03 0.00 0.21 0.00 0.00 66.02 64.63 3m3i s SER 167 CO -0.02 0.29 -0.22 0.00 0.41 0.00 0.00 173.24 173.70 3m3i s ILE 169 N -1.06 0.42 -0.21 0.00 1.09 -0.70 -1.04 121.20 119.69 3m3i s ILE 169 Ca 0.08 0.02 -0.07 0.00 -1.10 0.00 0.00 60.65 59.58 3m3i s ILE 169 Cb -0.10 -0.52 -0.04 0.00 -1.06 0.00 0.00 42.46 40.74 3m3i s ILE 169 CO 0.04 0.23 0.07 -0.69 -0.10 0.00 0.00 174.94 174.50 3m3i s VAL 170 N 1.46 4.60 -0.17 2.92 1.01 -0.59 -1.26 120.40 128.38 3m3i s VAL 170 Ca -0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 3m3i s VAL 170 Cb -0.13 -3.11 0.08 0.00 0.00 0.00 0.00 36.38 33.22 3m3i s VAL 170 CO -0.03 0.40 0.30 -0.55 0.00 0.00 0.00 175.10 175.22 3m3i s SER 171 N 0.96 0.35 0.84 3.32 0.15 -1.02 -1.27 113.70 117.03 3m3i s SER 171 Ca 0.04 0.52 -0.13 0.00 0.70 0.00 0.00 55.95 57.09 3m3i s SER 171 Cb -0.14 0.83 0.09 0.00 -1.71 0.00 0.00 66.02 65.10 3m3i s SER 171 CO 0.03 -0.26 1.13 -2.65 1.20 0.00 0.00 173.24 172.70 3m3i n PRO 172 N 5.36 0.03 -1.41 5.44 -0.02 -1.25 -3.97 135.00 139.18 3m3i n PRO 172 Ca -0.06 0.09 -0.36 0.00 -2.02 0.00 0.00 63.50 61.15 3m3i n PRO 172 Cb 0.50 -2.38 0.09 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.57 -0.13 3.77 -1.23 0.00 0.41 -4.80 105.19 103.77 3m3i n GLY 173 Ca 0.13 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.76 2.54 -0.17 1.61 5.36 -1.26 -4.73 117.98 119.56 3m3i s PHE 174 Ca 0.76 1.28 -0.12 0.00 -0.96 0.00 0.00 56.93 57.88 3m3i s PHE 174 Cb -0.35 -3.89 0.05 0.00 -0.34 0.00 0.00 43.02 38.50 3m3i s PHE 174 CO 0.48 -2.79 0.43 0.34 -1.46 0.00 0.00 175.22 172.22 3m3i s ASP 175 N -0.50 -0.51 0.65 6.13 2.15 -1.26 -4.88 116.67 118.45 3m3i s ASP 175 Ca 0.59 0.91 0.37 0.00 0.43 0.00 0.00 52.55 54.86 3m3i s ASP 175 Cb -0.43 0.85 2.05 0.00 -0.30 0.00 0.00 42.92 45.09 3m3i s ASP 175 CO 0.56 -0.18 2.20 1.88 -0.17 0.00 0.00 175.17 179.46 3m3i h TYR 176 N 6.42 0.00 0.00 -5.34 0.05 -1.96 -1.12 116.97 115.02 3m3i h TYR 176 Ca -0.32 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.43 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 0.30 0.00 -0.14 0.00 -1.05 0.00 0.00 178.16 177.27 3m3i h ARG 177 N 0.00 0.00 0.00 4.88 3.08 -2.02 -2.88 114.38 117.45 3m3i h ARG 177 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3m3i h ARG 177 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3m3i h ARG 177 CO -0.00 0.14 -0.73 -0.44 -1.07 0.00 0.00 179.97 177.87 3m3i h ASP 178 N 0.00 0.00 -2.85 7.04 3.32 -1.59 -3.46 116.42 118.88 3m3i h ASP 178 Ca -0.00 -0.01 -0.56 0.00 0.02 0.00 0.00 57.03 56.48 3m3i h ASP 178 Cb 0.65 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 3m3i h ASP 178 CO 0.02 0.01 0.92 0.12 -1.72 0.00 0.00 179.24 178.59 3m3i s PHE 179 N -3.31 2.65 -0.13 4.55 5.36 -1.09 -4.35 117.98 121.66 3m3i s PHE 179 Ca 0.02 0.79 0.01 0.00 -0.96 0.00 0.00 56.93 56.79 3m3i s PHE 179 Cb 0.09 -3.63 0.02 0.00 -0.34 0.00 0.00 43.02 39.16 3m3i s PHE 179 CO 0.76 -2.33 -0.17 -2.00 -1.46 0.00 0.00 175.22 170.01 3m3i s GLU 180 N 3.37 2.45 0.23 10.12 2.12 -0.82 -5.00 118.70 131.17 3m3i s GLU 180 Ca 0.61 -0.63 0.05 0.00 0.36 0.00 0.00 54.97 55.35 3m3i s GLU 180 Cb -0.26 -2.10 -0.03 0.00 0.26 0.00 0.00 34.13 32.00 3m3i s GLU 180 CO 0.21 -0.11 0.33 -1.50 -0.54 0.00 0.00 175.26 173.65 3m3i s ILE 181 N 1.11 5.17 0.21 -3.70 1.10 -1.26 -1.09 121.20 122.74 3m3i s ILE 181 Ca -0.03 -1.01 0.06 0.00 -0.51 0.00 0.00 60.65 59.17 3m3i s ILE 181 Cb -0.14 -3.80 -0.05 0.00 0.15 0.00 0.00 42.46 38.62 3m3i s ILE 181 CO -0.05 -0.31 -0.10 -0.36 -2.11 0.00 0.00 174.94 172.01 3m3i s PHE 182 N -1.98 1.64 0.21 3.50 0.40 -1.22 -4.99 117.98 115.54 3m3i s PHE 182 Ca 0.34 -0.68 0.10 0.00 -0.60 0.00 0.00 56.93 56.09 3m3i s PHE 182 Cb -0.09 -0.83 -0.04 0.00 0.51 0.00 0.00 43.02 42.57 3m3i s PHE 182 CO 0.28 0.24 -0.10 0.95 0.70 0.00 0.00 175.22 177.29 3m3i s THR 183 N -3.11 3.10 0.12 0.64 -4.23 -1.26 -3.71 115.64 107.19 3m3i s THR 183 Ca 0.23 -1.81 -0.23 0.00 -1.18 0.00 0.00 61.69 58.70 3m3i s THR 183 Cb 0.02 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 3m3i s THR 183 CO 0.07 -0.19 1.67 1.56 -0.54 0.00 0.00 174.62 177.19 3m3i h GLN 184 N 2.67 -0.19 -0.91 3.99 4.20 -0.25 -1.37 115.11 123.25 3m3i h GLN 184 Ca -0.46 0.01 0.16 0.00 0.06 0.00 0.00 58.65 58.43 3m3i h GLN 184 Cb 1.22 0.04 -0.10 0.00 0.30 0.00 0.00 27.48 28.94 3m3i h GLN 184 CO 0.55 -0.12 0.51 0.00 -0.67 0.00 0.00 178.83 179.09 3m3i h ALA 185 N 0.83 1.43 0.07 3.87 0.00 -1.84 0.67 119.26 124.29 3m3i h ALA 185 Ca 0.08 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3m3i h ALA 185 Cb 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3m3i h ALA 185 CO -0.20 -0.07 -0.03 0.37 0.00 0.00 0.00 179.25 179.32 3m3i h GLN 186 N 0.68 -0.09 -0.10 0.00 4.15 -1.83 -3.08 115.11 114.85 3m3i h GLN 186 Ca 0.51 0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.76 3m3i h GLN 186 Cb 0.75 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 3m3i h GLN 186 CO -0.37 0.07 -0.68 -0.07 -1.93 0.00 0.00 178.83 175.85 3m3i h LEU 187 N -0.23 0.48 -1.25 -2.39 3.38 -0.34 -3.29 115.31 111.66 3m3i h LEU 187 Ca -0.01 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 3m3i h LEU 187 Cb 0.20 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3m3i h LEU 187 CO 0.01 1.02 0.43 0.24 0.09 0.00 0.00 178.44 180.24 3m3i h MET 188 N 0.29 0.94 0.19 1.13 2.86 0.30 0.11 114.93 120.74 3m3i h MET 188 Ca -0.02 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3m3i h MET 188 Cb 1.24 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.70 3m3i h MET 188 CO 0.12 0.65 -0.09 0.93 1.06 0.00 0.00 176.91 179.57 3m3i h GLU 189 N 0.96 -0.24 -0.02 1.72 4.39 -1.60 -3.01 114.58 116.77 3m3i h GLU 189 Ca 0.25 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.90 3m3i h GLU 189 Cb -0.06 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3m3i h GLU 189 CO -0.05 -0.16 -0.27 -0.07 -1.16 0.00 0.00 179.01 177.30 3m3i h LEU 190 N -0.26 0.28 -5.84 1.33 3.38 -1.49 -3.40 115.31 109.31 3m3i h LEU 190 Ca -0.03 -0.72 -0.54 0.00 0.09 0.00 0.00 57.88 56.69 3m3i h LEU 190 Cb 0.20 -0.08 -0.41 0.00 0.09 0.00 0.00 40.66 40.46 3m3i h LEU 190 CO 0.04 0.96 -0.95 -1.22 0.09 0.00 0.00 178.44 177.36 3m3i n TYR 191 N -4.49 1.56 -0.12 1.13 4.01 0.32 -4.96 117.16 114.62 3m3i n TYR 191 Ca -0.09 -3.86 0.05 0.00 -0.16 0.00 0.00 57.90 53.83 3m3i n TYR 191 Cb 0.50 -0.44 0.37 0.00 -0.31 0.00 0.00 39.34 39.45 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 3.36 0.70 -0.51 -0.72 0.13 -1.69 -2.83 132.00 130.44 3m3i h PRO 192 Ca 0.12 -0.04 0.15 0.00 -0.87 0.00 0.00 66.00 65.35 3m3i h PRO 192 Cb 0.79 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.74 3m3i h PRO 192 CO 0.62 0.46 0.62 -0.56 -0.23 0.00 0.00 178.00 178.92 3m3i h GLN 193 N 0.72 0.00 -1.06 0.86 -0.00 -1.92 0.41 115.11 114.11 3m3i h GLN 193 Ca 0.24 0.00 -0.48 0.00 -0.00 0.00 0.00 58.65 58.41 3m3i h GLN 193 Cb 0.08 0.00 -0.25 0.00 -0.00 0.00 0.00 27.48 27.30 3m3i h GLN 193 CO -0.06 0.00 0.62 0.72 -0.00 0.00 0.00 178.83 180.10 3m3i n HIS 194 N -3.50 2.63 -0.33 0.06 8.25 -1.07 -4.72 115.22 116.54 3m3i n HIS 194 Ca 0.10 -2.02 0.12 0.00 -0.26 0.00 0.00 57.72 55.66 3m3i n HIS 194 Cb 0.82 -1.01 0.30 0.00 1.12 0.00 0.00 29.99 31.22 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 1.20 0.61 0.32 -0.41 4.81 -0.39 -2.09 114.58 118.63 3m3i h GLU 195 Ca 0.53 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.71 3m3i h GLU 195 Cb 1.95 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 31.19 3m3i h GLU 195 CO 1.08 0.40 -0.16 0.00 -0.73 0.00 0.00 179.01 179.60 3m3i h ALA 196 N 1.64 -0.44 -0.40 2.92 0.00 -1.85 -0.43 119.26 120.71 3m3i h ALA 196 Ca 0.55 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.25 3m3i h ALA 196 Cb 0.90 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3m3i h ALA 196 CO -0.42 -0.75 -0.21 -0.24 0.00 0.00 0.00 179.25 177.63 3m3i h VAL 197 N -0.44 1.27 -0.13 0.00 3.04 -1.85 -2.33 116.25 115.80 3m3i h VAL 197 Ca -0.04 -1.32 -0.00 0.00 -1.01 0.00 0.00 66.70 64.32 3m3i h VAL 197 Cb 0.34 1.19 -0.01 0.00 -2.01 0.00 0.00 31.29 30.81 3m3i h VAL 197 CO 0.06 0.44 0.08 0.40 -1.01 0.00 0.00 177.57 177.54 3m3i h ILE 198 N 0.69 1.08 0.00 3.17 2.04 -1.27 0.35 117.51 123.57 3m3i h ILE 198 Ca 0.10 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3m3i h ILE 198 Cb 0.72 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3m3i h ILE 198 CO 0.06 0.08 0.00 0.11 0.00 0.00 0.00 178.15 178.39 3m3i h LYS 199 N 0.13 0.00 0.04 2.37 1.57 -1.01 -0.64 116.57 119.02 3m3i h LYS 199 Ca 0.05 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.46 3m3i h LYS 199 Cb 0.06 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 3m3i h LYS 199 CO -0.01 0.00 -2.20 0.94 -0.57 0.00 0.00 179.45 177.61 3m3i n GLN 200 N -2.61 0.69 -0.02 3.15 7.27 -0.88 -4.79 117.38 120.18 3m3i n GLN 200 Ca 0.01 0.17 -0.00 0.00 0.07 0.00 0.00 57.00 57.25 3m3i n GLN 200 Cb 0.22 -1.62 -0.04 0.00 2.41 0.00 0.00 30.24 31.21 3m3i n GLN 200 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 3m3i n MET 201 N -3.18 1.85 -3.19 3.69 2.81 0.12 -5.01 117.12 114.20 3m3i n MET 201 Ca -0.35 -0.02 -0.38 0.00 -1.81 0.00 0.00 57.70 55.14 3m3i n MET 201 Cb 1.05 -1.13 -0.06 0.00 -0.71 0.00 0.00 33.22 32.37 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 -2.24 3.54 0.62 3.04 0.00 -0.25 -2.16 121.76 124.30 3m3i s ALA 202 Ca -0.02 0.11 -0.18 0.00 0.00 0.00 0.00 51.96 51.87 3m3i s ALA 202 Cb 0.02 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.37 3m3i s ALA 202 CO 0.22 0.37 0.77 0.66 0.00 0.00 0.00 175.76 177.78 3m3i n TYR 203 N 1.50 0.12 1.66 0.00 4.01 -1.24 -4.48 117.16 118.73 3m3i n TYR 203 Ca -0.08 0.42 0.15 0.00 -0.16 0.00 0.00 57.90 58.23 3m3i n TYR 203 Cb 0.50 -2.05 0.66 0.00 -0.31 0.00 0.00 39.34 38.15 3m3i n TYR 203 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55