#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3im7 s PHE 13 N 0.00 3.17 0.11 3.69 0.08 -1.26 -0.85 117.98 122.91 3im7 s PHE 13 Ca 0.00 -0.02 -0.30 0.00 0.12 0.00 0.00 56.93 56.73 3im7 s PHE 13 Cb 0.00 -1.51 -0.06 0.00 -0.57 0.00 0.00 43.02 40.89 3im7 s PHE 13 CO 0.00 0.52 0.95 -0.51 -0.10 0.00 0.00 175.22 176.08 3im7 s LEU 14 N -3.23 4.50 0.10 -0.37 1.43 -0.49 -4.76 118.68 115.86 3im7 s LEU 14 Ca 0.31 1.79 0.05 0.00 -1.03 0.00 0.00 54.13 55.25 3im7 s LEU 14 Cb -0.10 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 3im7 s LEU 14 CO 0.24 -0.06 -0.14 -0.13 0.23 0.00 0.00 176.35 176.49 3im7 s ARG 15 N -0.03 0.91 0.58 1.70 1.81 -1.26 -0.26 118.95 122.41 3im7 s ARG 15 Ca 0.47 -1.10 -0.20 0.00 -1.72 0.00 0.00 55.73 53.18 3im7 s ARG 15 Cb -0.23 -0.85 -0.04 0.00 -0.45 0.00 0.00 34.95 33.38 3im7 s ARG 15 CO 0.30 0.18 1.25 0.95 -0.68 0.00 0.00 175.30 177.29 3im7 s THR 16 N -1.72 2.45 0.00 0.02 -4.23 0.76 -1.95 115.64 110.96 3im7 s THR 16 Ca 0.03 0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 3im7 s THR 16 Cb -0.07 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.64 3im7 s THR 16 CO 0.02 -0.05 0.00 0.47 -0.54 0.00 0.00 174.62 174.53 3im7 n ASP 17 N -1.45 0.00 -4.78 3.99 8.00 0.20 -4.52 116.55 117.98 3im7 n ASP 17 Ca 0.13 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.22 3im7 n ASP 17 Cb 0.48 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 3im7 n ASP 17 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3im7 s ASP 18 N -2.78 6.28 -0.33 -2.24 1.11 -0.82 -4.78 116.67 113.10 3im7 s ASP 18 Ca 0.00 3.04 -0.11 0.00 0.18 0.00 0.00 52.55 55.66 3im7 s ASP 18 Cb 0.00 -2.67 -0.01 0.00 1.07 0.00 0.00 42.92 41.31 3im7 s ASP 18 CO 0.00 -0.92 0.20 -0.70 1.18 0.00 0.00 175.17 174.93 3im7 s GLU 19 N -2.15 3.38 0.20 8.23 2.12 -1.26 -1.16 118.70 128.07 3im7 s GLU 19 Ca 0.54 -0.71 0.07 0.00 0.36 0.00 0.00 54.97 55.23 3im7 s GLU 19 Cb -0.46 -3.69 -0.05 0.00 0.26 0.00 0.00 34.13 30.19 3im7 s GLU 19 CO 0.63 -0.45 -0.11 0.14 -0.54 0.00 0.00 175.26 174.93 3im7 s VAL 20 N 1.66 1.55 -0.05 3.70 -7.23 0.66 -1.39 120.40 119.30 3im7 s VAL 20 Ca 0.05 -2.16 0.03 0.00 -1.81 0.00 0.00 61.98 58.10 3im7 s VAL 20 Cb -0.17 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.66 3im7 s VAL 20 CO 0.08 -0.57 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.48 3im7 s VAL 21 N -3.09 3.17 -0.27 1.32 1.01 -0.57 -1.57 120.40 120.39 3im7 s VAL 21 Ca 0.23 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 3im7 s VAL 21 Cb 0.01 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3im7 s VAL 21 CO 0.06 0.59 0.16 -0.76 0.00 0.00 0.00 175.10 175.15 3im7 s LEU 22 N -0.74 3.86 0.09 3.92 1.02 -1.26 -1.59 118.68 123.98 3im7 s LEU 22 Ca 0.12 -0.07 0.08 0.00 0.02 0.00 0.00 54.13 54.28 3im7 s LEU 22 Cb -0.11 -2.07 -0.03 0.00 0.02 0.00 0.00 46.19 44.00 3im7 s LEU 22 CO 0.01 -0.05 -0.21 -1.10 0.02 0.00 0.00 176.35 175.01 3im7 s GLN 23 N 1.72 1.21 0.06 1.70 -0.21 0.10 -0.77 119.66 123.47 3im7 s GLN 23 Ca 0.07 -1.13 -0.00 0.00 0.02 0.00 0.00 55.36 54.32 3im7 s GLN 23 Cb -0.16 -1.46 -0.04 0.00 1.00 0.00 0.00 33.01 32.35 3im7 s GLN 23 CO 0.09 0.35 -0.04 0.00 -2.12 0.00 0.00 175.29 173.57 3im7 s THR 25 N -3.81 5.33 -0.20 0.00 2.01 -1.26 -0.77 115.64 116.94 3im7 s THR 25 Ca 0.08 0.47 0.01 0.00 0.31 0.00 0.00 61.69 62.57 3im7 s THR 25 Cb 0.07 -3.60 0.04 0.00 0.01 0.00 0.00 72.50 69.02 3im7 s THR 25 CO -0.08 0.40 -0.14 0.00 -0.69 0.00 0.00 174.62 174.10 3im7 s ALA 26 N 0.45 2.21 -0.21 7.40 0.00 0.99 -4.97 121.76 127.64 3im7 s ALA 26 Ca 0.15 -1.28 -0.00 0.00 0.00 0.00 0.00 51.96 50.83 3im7 s ALA 26 Cb -0.13 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.74 3im7 s ALA 26 CO 0.03 -0.67 -0.14 0.99 0.00 0.00 0.00 175.76 175.97 3im7 s THR 27 N 1.31 2.44 -0.00 0.00 2.01 -1.26 -0.32 115.64 119.82 3im7 s THR 27 Ca 0.00 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.08 3im7 s THR 27 Cb -0.15 -2.12 -0.00 0.00 0.01 0.00 0.00 72.50 70.23 3im7 s THR 27 CO -0.10 0.41 -0.05 -0.51 -0.69 0.00 0.00 174.62 173.68 3im7 s ILE 28 N 1.31 0.43 -1.65 1.82 2.07 -1.08 -4.87 121.20 119.23 3im7 s ILE 28 Ca 0.03 -0.26 -0.16 0.00 -1.41 0.00 0.00 60.65 58.85 3im7 s ILE 28 Cb -0.14 -0.37 0.13 0.00 0.13 0.00 0.00 42.46 42.21 3im7 s ILE 28 CO -0.09 0.10 0.80 1.41 -1.91 0.00 0.00 174.94 175.25 3im7 n HIS 29 N 2.90 -1.85 -0.85 3.50 8.25 -1.26 -1.07 115.22 124.84 3im7 n HIS 29 Ca -0.13 0.82 0.00 0.00 -0.26 0.00 0.00 57.72 58.15 3im7 n HIS 29 Cb 0.58 -3.21 0.00 0.00 1.12 0.00 0.00 29.99 28.48 3im7 n HIS 29 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3im7 n LYS 30 N -4.45 -0.44 -3.07 -0.41 0.00 -1.26 -4.96 118.16 103.58 3im7 n LYS 30 Ca 0.04 0.11 -0.44 0.00 -0.00 0.00 0.00 58.31 58.02 3im7 n LYS 30 Cb 0.51 -3.74 -0.05 0.00 -0.00 0.00 0.00 35.03 31.75 3im7 n LYS 30 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 3im7 s GLU 31 N -0.73 3.10 0.10 -1.58 2.02 -0.23 -5.06 118.70 116.32 3im7 s GLU 31 Ca 0.00 -1.01 -0.23 0.00 0.02 0.00 0.00 54.97 53.75 3im7 s GLU 31 Cb 0.00 -4.18 -0.07 0.00 0.10 0.00 0.00 34.13 29.98 3im7 s GLU 31 CO 0.00 -1.47 0.68 -1.14 0.02 0.00 0.00 175.26 173.36 3im7 s GLN 32 N 2.98 4.40 0.10 1.61 0.74 -1.26 -2.62 119.66 125.62 3im7 s GLN 32 Ca 0.16 0.95 -0.06 0.00 0.05 0.00 0.00 55.36 56.46 3im7 s GLN 32 Cb -0.20 -3.28 -0.02 0.00 1.10 0.00 0.00 33.01 30.61 3im7 s GLN 32 CO 0.10 0.53 0.14 1.14 -0.55 0.00 0.00 175.29 176.65 3im7 s GLN 33 N -0.85 0.87 -0.18 1.67 -2.07 0.56 -4.98 119.66 114.68 3im7 s GLN 33 Ca 0.33 -1.14 -0.08 0.00 -1.82 0.00 0.00 55.36 52.65 3im7 s GLN 33 Cb -0.21 0.31 -0.04 0.00 -1.09 0.00 0.00 33.01 31.97 3im7 s GLN 33 CO 0.22 -0.27 0.09 0.15 -1.32 0.00 0.00 175.29 174.17 3im7 s LYS 34 N -3.93 3.98 0.10 9.60 -0.14 -1.26 -0.00 119.74 128.09 3im7 s LYS 34 Ca 0.11 -0.28 0.10 0.00 -1.36 0.00 0.00 55.97 54.54 3im7 s LYS 34 Cb 0.06 -3.27 -0.04 0.00 -1.68 0.00 0.00 37.83 32.90 3im7 s LYS 34 CO -0.06 0.34 -0.27 -0.51 -0.76 0.00 0.00 175.35 174.09 3im7 s LEU 35 N 0.20 2.27 -0.04 3.17 1.43 0.05 -1.62 118.68 124.14 3im7 s LEU 35 Ca 0.06 -0.69 0.04 0.00 -1.03 0.00 0.00 54.13 52.51 3im7 s LEU 35 Cb -0.12 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 3im7 s LEU 35 CO -0.00 0.21 -0.14 0.00 0.23 0.00 0.00 176.35 176.64 3im7 s LEU 37 N -0.80 4.38 0.14 0.00 2.96 0.05 -1.60 118.68 123.80 3im7 s LEU 37 Ca 0.12 2.27 0.02 0.00 -0.22 0.00 0.00 54.13 56.32 3im7 s LEU 37 Cb -0.11 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 3im7 s LEU 37 CO 0.01 -0.59 -0.02 0.00 -1.32 0.00 0.00 176.35 174.43 3im7 s ALA 38 N 0.93 1.17 0.03 5.97 0.00 -0.18 -4.32 121.76 125.37 3im7 s ALA 38 Ca 0.62 -1.49 -0.26 0.00 0.00 0.00 0.00 51.96 50.83 3im7 s ALA 38 Cb -0.35 0.43 0.06 0.00 0.00 0.00 0.00 23.12 23.26 3im7 s ALA 38 CO 0.31 -0.30 0.60 0.00 0.00 0.00 0.00 175.76 176.37 3im7 s ALA 39 N -3.68 -1.56 0.48 0.00 0.00 -0.95 -1.64 121.76 114.42 3im7 s ALA 39 Ca 0.19 0.87 -0.06 0.00 0.00 0.00 0.00 51.96 52.96 3im7 s ALA 39 Cb 0.06 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 3im7 s ALA 39 CO 0.01 -0.50 0.80 -1.21 0.00 0.00 0.00 175.76 174.85 3im7 s GLU 40 N -2.17 3.57 0.08 0.00 0.41 -1.26 -4.76 118.70 114.56 3im7 s GLU 40 Ca -0.07 0.25 -0.36 0.00 -0.41 0.00 0.00 54.97 54.39 3im7 s GLU 40 Cb -0.01 -2.36 -0.18 0.00 -1.78 0.00 0.00 34.13 29.80 3im7 s GLU 40 CO 0.01 -0.21 1.57 0.78 -0.49 0.00 0.00 175.26 176.92 3im7 h GLY 41 N 0.29 -1.28 -1.86 -1.39 0.00 -1.93 -3.46 103.07 93.44 3im7 h GLY 41 Ca -0.47 0.56 -0.60 0.00 0.00 0.00 0.00 47.33 46.82 3im7 h GLY 41 CO 0.62 -0.41 -0.57 -0.11 0.00 0.00 0.00 176.54 176.06 3im7 s PHE 42 N -5.92 2.55 0.00 5.60 -0.00 -1.26 -4.89 117.98 114.06 3im7 s PHE 42 Ca -0.18 -0.58 0.00 0.00 -0.00 0.00 0.00 56.93 56.17 3im7 s PHE 42 Cb 0.04 -1.75 0.00 0.00 -0.00 0.00 0.00 43.02 41.31 3im7 s PHE 42 CO 0.61 0.38 0.00 0.41 -0.00 0.00 0.00 175.22 176.61 3im7 n GLY 43 N -1.04 0.69 3.71 1.99 0.00 -1.26 -4.82 105.19 104.45 3im7 n GLY 43 Ca -0.03 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 3im7 n GLY 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3im7 s ASN 44 N -4.00 6.46 0.00 1.61 3.84 -1.26 -4.89 114.94 116.69 3im7 s ASN 44 Ca 0.00 2.76 0.29 0.00 0.21 0.00 0.00 52.86 56.12 3im7 s ASN 44 Cb 0.00 -2.59 1.17 0.00 -0.55 0.00 0.00 41.25 39.28 3im7 s ASN 44 CO 0.00 -0.93 1.81 0.54 -2.79 0.00 0.00 177.10 175.73 3im7 n ARG 45 N 4.34 1.37 -2.72 0.43 5.12 -1.26 -4.70 116.66 119.25 3im7 n ARG 45 Ca 0.16 -0.69 -0.40 0.00 -1.93 0.00 0.00 57.85 54.98 3im7 n ARG 45 Cb 0.37 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 30.13 3im7 n ARG 45 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3im7 s LEU 46 N -2.10 4.62 0.54 0.55 1.43 -1.26 -1.74 118.68 120.72 3im7 s LEU 46 Ca 0.37 1.95 -0.20 0.00 -1.03 0.00 0.00 54.13 55.23 3im7 s LEU 46 Cb 0.21 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.76 3im7 s LEU 46 CO 0.38 0.09 1.14 0.00 0.23 0.00 0.00 176.35 178.19 3im7 n PHE 48 N -1.28 -0.44 -4.70 0.00 1.16 -0.65 -4.70 117.46 106.86 3im7 n PHE 48 Ca 0.12 -1.94 -0.23 0.00 -1.87 0.00 0.00 57.45 53.53 3im7 n PHE 48 Cb 0.51 0.17 -0.15 0.00 -1.61 0.00 0.00 39.48 38.39 3im7 n PHE 48 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3im7 s LEU 49 N 0.00 2.03 -0.09 5.98 1.43 -1.26 -1.01 118.68 125.76 3im7 s LEU 49 Ca 0.25 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 3im7 s LEU 49 Cb 0.01 -0.77 -0.01 0.00 0.03 0.00 0.00 46.19 45.45 3im7 s LEU 49 CO 0.18 0.18 -0.19 -1.61 0.23 0.00 0.00 176.35 175.14 3im7 s GLU 50 N -0.35 2.92 0.37 1.70 2.02 -0.63 -4.91 118.70 119.82 3im7 s GLU 50 Ca 0.06 -0.80 -0.27 0.00 0.02 0.00 0.00 54.97 53.98 3im7 s GLU 50 Cb -0.06 -2.37 -0.09 0.00 0.10 0.00 0.00 34.13 31.71 3im7 s GLU 50 CO -0.01 0.32 1.20 -1.12 0.02 0.00 0.00 175.26 175.68 3im7 s SER 51 N 0.02 6.65 0.10 -0.19 0.01 -1.26 -1.20 113.70 117.83 3im7 s SER 51 Ca -0.07 2.44 0.01 0.00 1.31 0.00 0.00 55.95 59.64 3im7 s SER 51 Cb -0.15 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.42 3im7 s SER 51 CO 0.05 -0.59 0.24 0.42 0.41 0.00 0.00 173.24 173.76 3im7 s THR 52 N -1.31 5.36 0.00 1.44 -4.23 -0.64 -4.12 115.64 112.15 3im7 s THR 52 Ca 0.54 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 3im7 s THR 52 Cb -0.33 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 69.83 3im7 s THR 52 CO 0.43 0.05 0.00 -1.20 -0.54 0.00 0.00 174.62 173.36 3im7 n SER 53 N -0.04 0.00 -2.24 3.99 7.64 -1.26 -4.80 113.62 116.91 3im7 n SER 53 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 3im7 n SER 53 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 3im7 n SER 53 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3im7 n VAL 58 N 0.00-12.59 -1.63 0.44 0.31 -1.26 -4.92 118.33 98.68 3im7 n VAL 58 Ca 0.00 2.93 -0.31 0.00 -0.01 0.00 0.00 64.34 66.95 3im7 n VAL 58 Cb 0.00 -5.87 0.05 0.00 -0.91 0.00 0.00 33.84 27.11 3im7 n VAL 58 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3im7 s PRO 59 N -0.74 2.90 0.08 5.55 0.04 -1.26 -4.99 135.00 136.58 3im7 s PRO 59 Ca 0.00 1.07 -0.21 0.00 0.04 0.00 0.00 61.00 61.90 3im7 s PRO 59 Cb 0.00 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 3im7 s PRO 59 CO 0.00 -1.13 1.35 -1.35 0.04 0.00 0.00 177.00 175.91 3im7 h PRO 60 N -0.49 -0.28 -3.93 0.56 0.11 -1.92 -3.35 132.00 122.70 3im7 h PRO 60 Ca -0.45 0.02 -0.72 0.00 0.11 0.00 0.00 66.00 64.96 3im7 h PRO 60 Cb 1.22 0.06 -0.32 0.00 0.11 0.00 0.00 31.00 32.07 3im7 h PRO 60 CO 0.56 -0.19 -0.30 0.34 -0.21 0.00 0.00 178.00 178.20 3im7 s ASP 61 N -4.15 5.67 0.29 -2.05 -1.08 -1.26 -4.98 116.67 109.10 3im7 s ASP 61 Ca -0.09 -2.47 0.06 0.00 -0.52 0.00 0.00 52.55 49.53 3im7 s ASP 61 Cb 0.05 -1.97 0.43 0.00 -1.46 0.00 0.00 42.92 39.98 3im7 s ASP 61 CO 0.39 -0.52 1.68 0.25 0.52 0.00 0.00 175.17 177.49 3im7 h LEU 62 N 7.69 0.25 0.00 -1.34 5.85 -1.98 -3.29 115.31 122.49 3im7 h LEU 62 Ca -0.06 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3im7 h LEU 62 Cb 1.01 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3im7 h LEU 62 CO 0.76 0.66 0.00 -1.54 -0.34 0.00 0.00 178.44 177.98 3im7 n SER 63 N -4.01 0.00 -0.43 1.25 3.41 -1.26 -2.18 113.62 110.40 3im7 n SER 63 Ca -0.02 -0.16 0.08 0.00 -0.26 0.00 0.00 58.87 58.52 3im7 n SER 63 Cb 0.49 -0.23 0.01 0.00 -0.26 0.00 0.00 64.21 64.22 3im7 n SER 63 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3im7 n ILE 64 N -1.23 0.00 0.52 -1.33 -5.35 -1.24 -4.21 119.36 106.51 3im7 n ILE 64 Ca 0.12 -0.35 0.10 0.00 -0.27 0.00 0.00 62.75 62.35 3im7 n ILE 64 Cb 0.16 1.22 0.27 0.00 -1.74 0.00 0.00 39.64 39.55 3im7 n ILE 64 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3im7 s THR 66 N -1.46 5.23 0.13 0.00 2.01 -1.24 -4.46 115.64 115.84 3im7 s THR 66 Ca 0.36 0.68 0.08 0.00 0.31 0.00 0.00 61.69 63.12 3im7 s THR 66 Cb 0.20 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 3im7 s THR 66 CO 0.27 0.29 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.94 3im7 s PHE 67 N 1.04 1.74 -0.13 4.92 0.08 -0.61 -1.07 117.98 123.95 3im7 s PHE 67 Ca 0.19 -0.45 0.00 0.00 0.12 0.00 0.00 56.93 56.79 3im7 s PHE 67 Cb -0.14 -0.91 -0.01 0.00 -0.57 0.00 0.00 43.02 41.38 3im7 s PHE 67 CO 0.07 0.24 -0.14 0.08 -0.10 0.00 0.00 175.22 175.38 3im7 s VAL 68 N -1.62 3.01 -0.82 -0.44 1.01 0.16 -0.25 120.40 121.45 3im7 s VAL 68 Ca 0.10 -0.68 -0.25 0.00 0.00 0.00 0.00 61.98 61.15 3im7 s VAL 68 Cb -0.08 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 3im7 s VAL 68 CO 0.05 0.53 1.83 -0.76 0.00 0.00 0.00 175.10 176.75 3im7 s LEU 69 N 0.31 3.24 0.00 3.92 1.43 -0.31 -0.76 118.68 126.52 3im7 s LEU 69 Ca -0.11 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.45 3im7 s LEU 69 Cb -0.16 -2.55 -0.31 0.00 0.03 0.00 0.00 46.19 43.20 3im7 s LEU 69 CO 0.06 -2.46 0.86 -0.08 0.23 0.00 0.00 176.35 174.96 3im7 h GLU 70 N 12.14 0.40 -3.97 1.70 4.81 -0.92 0.57 114.58 129.31 3im7 h GLU 70 Ca -0.02 -0.68 -0.13 0.00 -0.13 0.00 0.00 59.36 58.41 3im7 h GLU 70 Cb 1.05 0.25 -0.17 0.00 0.63 0.00 0.00 28.75 30.52 3im7 h GLU 70 CO 1.24 1.30 -0.59 -0.65 -0.73 0.00 0.00 179.01 179.58 3im7 s GLN 71 N -2.60 0.57 -0.22 1.92 -1.52 -1.23 -4.62 119.66 111.96 3im7 s GLN 71 Ca -0.11 -0.90 -0.03 0.00 -1.95 0.00 0.00 55.36 52.37 3im7 s GLN 71 Cb 0.05 0.21 0.10 0.00 -0.22 0.00 0.00 33.01 33.16 3im7 s GLN 71 CO 0.89 -0.13 0.22 0.45 -0.25 0.00 0.00 175.29 176.47 3im7 s SER 72 N -2.33 1.63 0.12 5.90 0.15 -1.26 -1.72 113.70 116.19 3im7 s SER 72 Ca -0.02 -0.40 0.07 0.00 0.70 0.00 0.00 55.95 56.29 3im7 s SER 72 Cb 0.01 0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.60 3im7 s SER 72 CO -0.06 -0.35 -0.17 -0.76 1.20 0.00 0.00 173.24 173.10 3im7 s LEU 73 N 2.30 2.36 0.54 3.45 1.43 -0.27 -4.93 118.68 123.56 3im7 s LEU 73 Ca 0.07 -0.75 -0.21 0.00 -1.03 0.00 0.00 54.13 52.22 3im7 s LEU 73 Cb -0.15 -0.70 -0.05 0.00 0.03 0.00 0.00 46.19 45.32 3im7 s LEU 73 CO -0.17 -0.05 1.23 -0.94 0.23 0.00 0.00 176.35 176.65 3im7 s SER 74 N -2.20 5.49 0.26 2.29 1.04 -1.26 0.11 113.70 119.43 3im7 s SER 74 Ca 0.07 2.46 -0.02 0.00 0.48 0.00 0.00 55.95 58.94 3im7 s SER 74 Cb -0.08 -2.61 0.48 0.00 0.10 0.00 0.00 66.02 63.91 3im7 s SER 74 CO 0.04 -1.40 1.80 0.58 0.98 0.00 0.00 173.24 175.25 3im7 h VAL 75 N 1.30 0.86 -0.16 5.02 2.07 -1.92 -0.84 116.25 122.58 3im7 h VAL 75 Ca -0.50 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 66.79 3im7 h VAL 75 Cb 1.28 -0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 3im7 h VAL 75 CO 0.57 0.15 -0.14 -0.09 0.02 0.00 0.00 177.57 178.08 3im7 h ARG 76 N 0.80 -0.15 -0.07 1.57 2.43 -1.96 -0.09 114.38 116.92 3im7 h ARG 76 Ca 0.44 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.62 3im7 h ARG 76 Cb 0.48 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3im7 h ARG 76 CO -0.28 -0.10 0.03 0.28 -1.51 0.00 0.00 179.97 178.38 3im7 h VAL 77 N -0.16 1.13 -0.15 0.20 2.07 -1.84 0.72 116.25 118.22 3im7 h VAL 77 Ca 0.10 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.30 3im7 h VAL 77 Cb 0.31 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 3im7 h VAL 77 CO -0.26 0.11 -0.16 0.25 0.02 0.00 0.00 177.57 177.53 3im7 h LEU 78 N -0.04 -0.51 -0.65 2.57 5.85 -0.99 0.16 115.31 121.70 3im7 h LEU 78 Ca 0.02 0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.70 3im7 h LEU 78 Cb 0.15 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3im7 h LEU 78 CO -0.00 -0.21 -0.38 1.56 -0.34 0.00 0.00 178.44 179.07 3im7 h GLN 79 N -0.19 0.62 -0.45 1.25 4.20 -0.90 -1.26 115.11 118.38 3im7 h GLN 79 Ca 0.10 -0.31 0.04 0.00 0.06 0.00 0.00 58.65 58.54 3im7 h GLN 79 Cb 0.34 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.08 3im7 h GLN 79 CO -0.26 0.90 0.21 1.49 -0.67 0.00 0.00 178.83 180.50 3im7 h GLU 80 N 0.52 0.42 -0.67 1.46 4.81 -0.69 -0.37 114.58 120.05 3im7 h GLU 80 Ca 0.05 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3im7 h GLU 80 Cb 0.89 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 3im7 h GLU 80 CO 0.08 0.28 0.29 0.52 -0.73 0.00 0.00 179.01 179.44 3im7 h MET 81 N 0.43 0.98 -0.28 1.92 2.86 -0.09 -2.15 114.93 118.61 3im7 h MET 81 Ca 0.20 -0.17 -0.09 0.00 -2.06 0.00 0.00 59.70 57.58 3im7 h MET 81 Cb 0.11 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3im7 h MET 81 CO -0.15 0.81 -0.17 -0.07 1.06 0.00 0.00 176.91 178.39 3im7 h LEU 82 N 0.94 0.64 -1.05 1.22 3.38 -1.23 -3.23 115.31 115.98 3im7 h LEU 82 Ca 0.23 -0.43 0.11 0.00 0.09 0.00 0.00 57.88 57.88 3im7 h LEU 82 Cb 0.17 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.66 3im7 h LEU 82 CO -0.02 0.93 0.63 0.00 0.09 0.00 0.00 178.44 180.06 3im7 h ALA 83 N 0.73 1.55 0.00 1.53 0.00 -0.95 -2.60 119.26 119.51 3im7 h ALA 83 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3im7 h ALA 83 Cb 0.71 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3im7 h ALA 83 CO 0.05 0.22 0.00 0.09 0.00 0.00 0.00 179.25 179.61 3im7 n ASN 84 N -4.59 0.21 0.00 0.00 3.02 -0.82 -1.97 115.26 111.11 3im7 n ASN 84 Ca 0.18 0.55 0.11 0.00 -0.03 0.00 0.00 54.58 55.39 3im7 n ASN 84 Cb 0.34 -0.60 0.03 0.00 -0.61 0.00 0.00 39.78 38.95 3im7 n ASN 84 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3im7 n THR 85 N -1.73 0.03 -2.99 3.41 -2.24 -0.98 -4.92 114.28 104.85 3im7 n THR 85 Ca 0.03 -0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 3im7 n THR 85 Cb 0.19 0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 68.95 3im7 n THR 85 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3im7 s VAL 86 N -3.04 4.88 0.00 2.28 1.01 -0.83 -5.14 120.40 119.55 3im7 s VAL 86 Ca 0.08 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.31 3im7 s VAL 86 Cb 0.16 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.48 3im7 s VAL 86 CO 0.80 -0.11 0.00 -0.62 0.00 0.00 0.00 175.10 175.17 3im7 n GLU 87 N 5.97 0.00 -1.83 2.72 1.02 -1.26 -5.06 120.64 122.20 3im7 n GLU 87 Ca 0.03 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.76 3im7 n GLU 87 Cb 0.48 -0.29 -0.01 0.00 -0.02 0.00 0.00 31.44 31.60 3im7 n GLU 87 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3im7 n HIS 110 N -1.16 2.67 -1.80 -0.32 8.25 -1.26 -5.28 115.22 116.33 3im7 n HIS 110 Ca 0.00 -2.91 -0.41 0.00 -0.26 0.00 0.00 57.72 54.14 3im7 n HIS 110 Cb 0.00 -2.10 -0.00 0.00 1.12 0.00 0.00 29.99 29.01 3im7 n HIS 110 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3im7 s ARG 111 N 0.38 4.09 0.19 -0.41 1.70 -1.26 -4.31 118.95 119.34 3im7 s ARG 111 Ca 0.56 2.58 -0.30 0.00 -0.47 0.00 0.00 55.73 58.10 3im7 s ARG 111 Cb 0.17 -2.96 -0.09 0.00 -0.57 0.00 0.00 34.95 31.50 3im7 s ARG 111 CO -0.07 -0.55 1.30 0.99 -1.08 0.00 0.00 175.30 175.89 3im7 s THR 112 N -1.12 3.26 0.29 4.99 2.01 -1.26 -0.17 115.64 123.64 3im7 s THR 112 Ca 0.53 1.03 -0.29 0.00 0.31 0.00 0.00 61.69 63.27 3im7 s THR 112 Cb -0.47 -3.66 -0.10 0.00 0.01 0.00 0.00 72.50 68.29 3im7 s THR 112 CO 0.63 0.15 1.20 -0.76 -0.69 0.00 0.00 174.62 175.15 3im7 s LEU 113 N -0.05 4.49 0.00 4.42 1.02 0.64 -4.92 118.68 124.28 3im7 s LEU 113 Ca 0.57 2.44 0.06 0.00 0.02 0.00 0.00 54.13 57.21 3im7 s LEU 113 Cb -0.36 -3.63 -0.02 0.00 0.02 0.00 0.00 46.19 42.20 3im7 s LEU 113 CO 0.38 -0.33 -0.18 -0.76 0.02 0.00 0.00 176.35 175.48 3im7 s LEU 114 N -1.43 2.08 0.25 1.79 1.43 -1.26 -0.64 118.68 120.89 3im7 s LEU 114 Ca 0.47 -0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 52.90 3im7 s LEU 114 Cb -0.35 -0.87 -0.11 0.00 0.03 0.00 0.00 46.19 44.89 3im7 s LEU 114 CO 0.45 0.18 1.56 -0.31 0.23 0.00 0.00 176.35 178.46 3im7 s TYR 115 N -0.54 2.90 0.00 0.29 2.02 -0.26 -1.64 117.35 120.11 3im7 s TYR 115 Ca 0.06 0.77 0.00 0.00 -0.37 0.00 0.00 57.07 57.54 3im7 s TYR 115 Cb -0.07 -3.98 0.00 0.00 -0.40 0.00 0.00 41.96 37.50 3im7 s TYR 115 CO 0.00 -3.39 0.00 0.41 -1.57 0.00 0.00 175.55 171.00 3im7 n GLY 116 N 2.64 3.14 3.74 0.71 0.00 0.20 -1.41 105.19 114.22 3im7 n GLY 116 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3im7 n GLY 116 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3im7 s HIS 117 N -2.36 2.43 -0.16 1.61 3.76 -0.65 -4.41 115.29 115.50 3im7 s HIS 117 Ca 0.00 1.49 -0.05 0.00 -0.15 0.00 0.00 55.06 56.35 3im7 s HIS 117 Cb 0.00 -3.10 -0.03 0.00 1.11 0.00 0.00 32.58 30.56 3im7 s HIS 117 CO 0.00 -2.05 0.01 0.00 -0.85 0.00 0.00 174.74 171.85 3im7 s ALA 118 N -2.89 3.22 0.22 -1.40 0.00 0.31 -1.54 121.76 119.68 3im7 s ALA 118 Ca 0.62 -0.78 0.11 0.00 0.00 0.00 0.00 51.96 51.91 3im7 s ALA 118 Cb -0.18 -1.71 -0.05 0.00 0.00 0.00 0.00 23.12 21.18 3im7 s ALA 118 CO 0.57 0.25 -0.19 0.96 0.00 0.00 0.00 175.76 177.34 3im7 s ILE 119 N 0.21 2.58 -0.17 0.00 -4.36 0.45 -1.12 121.20 118.80 3im7 s ILE 119 Ca 0.01 -2.06 -0.00 0.00 -0.26 0.00 0.00 60.65 58.34 3im7 s ILE 119 Cb -0.13 -2.28 0.00 0.00 1.25 0.00 0.00 42.46 41.30 3im7 s ILE 119 CO 0.02 -0.20 -0.14 -0.22 0.24 0.00 0.00 174.94 174.63 3im7 s LEU 120 N -2.96 2.49 -0.31 0.37 2.96 -0.70 -2.23 118.68 118.29 3im7 s LEU 120 Ca 0.24 -0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 53.63 3im7 s LEU 120 Cb -0.07 -1.58 0.04 0.00 0.50 0.00 0.00 46.19 45.08 3im7 s LEU 120 CO 0.13 0.06 0.05 -0.76 -1.32 0.00 0.00 176.35 174.50 3im7 s LEU 121 N 0.97 4.00 -0.22 -0.68 1.43 -1.26 -0.22 118.68 122.70 3im7 s LEU 121 Ca -0.02 -1.11 -0.16 0.00 -1.03 0.00 0.00 54.13 51.81 3im7 s LEU 121 Cb -0.15 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 3im7 s LEU 121 CO -0.02 -0.27 0.41 -0.60 0.23 0.00 0.00 176.35 176.09 3im7 s ARG 122 N 1.35 4.13 -0.10 1.70 3.52 0.06 -1.78 118.95 127.83 3im7 s ARG 122 Ca -0.02 0.18 -0.29 0.00 -0.13 0.00 0.00 55.73 55.46 3im7 s ARG 122 Cb -0.19 -3.58 -0.05 0.00 -1.56 0.00 0.00 34.95 29.57 3im7 s ARG 122 CO 0.01 -0.13 1.71 -1.58 -0.81 0.00 0.00 175.30 174.50 3im7 s HIS 123 N 1.59 1.89 0.11 5.12 5.65 0.06 0.40 115.29 130.11 3im7 s HIS 123 Ca 0.18 0.24 -0.20 0.00 0.25 0.00 0.00 55.06 55.53 3im7 s HIS 123 Cb -0.15 -3.96 -0.08 0.00 -1.18 0.00 0.00 32.58 27.20 3im7 s HIS 123 CO 0.08 -3.80 1.75 0.77 -0.65 0.00 0.00 174.74 172.89 3im7 h SER 124 N 10.28 0.20 0.32 9.88 0.02 -1.42 -0.13 113.55 132.70 3im7 h SER 124 Ca -0.39 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.52 3im7 h SER 124 Cb 1.18 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.67 3im7 h SER 124 CO 0.97 0.17 -0.15 0.22 -1.14 0.00 0.00 176.83 176.89 3im7 h TYR 125 N 0.21 -0.39 0.00 3.45 3.20 -1.78 -3.28 116.97 118.37 3im7 h TYR 125 Ca 0.06 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 3im7 h TYR 125 Cb 0.00 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3im7 h TYR 125 CO -0.06 -0.16 -0.72 0.66 -1.64 0.00 0.00 178.16 176.24 3im7 h SER 126 N -0.56 0.00 0.00 -2.11 4.64 -1.89 -3.48 113.55 110.15 3im7 h SER 126 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3im7 h SER 126 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3im7 h SER 126 CO 0.07 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 3im7 n GLY 127 N 1.21 1.14 4.00 -0.77 0.00 -0.06 -5.03 105.19 105.67 3im7 n GLY 127 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 3im7 n GLY 127 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3im7 s MET 128 N -0.10 1.66 -0.05 1.61 -1.94 -1.25 -4.78 119.30 114.45 3im7 s MET 128 Ca 0.00 -1.25 0.05 0.00 -1.71 0.00 0.00 55.69 52.78 3im7 s MET 128 Cb 0.00 -2.36 -0.02 0.00 2.01 0.00 0.00 34.83 34.45 3im7 s MET 128 CO 0.00 -1.45 -0.18 0.71 -0.01 0.00 0.00 175.02 174.09 3im7 s TYR 129 N -3.11 2.59 -0.06 -0.03 2.02 0.69 -0.76 117.35 118.68 3im7 s TYR 129 Ca 0.67 -0.31 -0.34 0.00 -0.37 0.00 0.00 57.07 56.72 3im7 s TYR 129 Cb -0.05 -1.60 -0.12 0.00 -0.40 0.00 0.00 41.96 39.79 3im7 s TYR 129 CO 0.44 0.07 1.87 -0.11 -1.57 0.00 0.00 175.55 176.26 3im7 n LEU 130 N 2.47 3.50 -3.88 -1.29 7.94 -0.74 -1.61 117.00 123.39 3im7 n LEU 130 Ca -0.17 0.97 -0.12 0.00 -1.11 0.00 0.00 56.01 55.59 3im7 n LEU 130 Cb 0.52 -1.39 -0.13 0.00 0.53 0.00 0.00 43.42 42.95 3im7 n LEU 130 CO 0.25 -0.04 -0.34 0.00 -1.11 0.00 0.00 177.39 176.15 3im7 s LEU 133 N 2.92 3.47 0.49 0.00 1.43 0.38 -4.82 118.68 122.55 3im7 s LEU 133 Ca 0.32 0.93 0.28 0.00 -1.03 0.00 0.00 54.13 54.63 3im7 s LEU 133 Cb -0.14 -3.86 1.19 0.00 0.03 0.00 0.00 46.19 43.41 3im7 s LEU 133 CO 0.12 -0.75 1.93 0.77 0.23 0.00 0.00 176.35 178.66 3im7 h SER 134 N 0.04 0.00 -2.06 2.29 4.64 -1.97 -3.40 113.55 113.09 3im7 h SER 134 Ca -0.46 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.32 3im7 h SER 134 Cb 1.22 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.23 3im7 h SER 134 CO 0.61 0.14 -0.57 0.42 -0.87 0.00 0.00 176.83 176.56 3im7 s THR 135 N -3.77 3.48 0.25 2.95 -4.23 -1.26 -4.97 115.64 108.09 3im7 s THR 135 Ca -0.00 -1.71 -0.01 0.00 -1.18 0.00 0.00 61.69 58.79 3im7 s THR 135 Cb 0.10 -3.02 0.05 0.00 1.34 0.00 0.00 72.50 70.98 3im7 s THR 135 CO 0.59 -0.29 0.34 -1.20 -0.54 0.00 0.00 174.62 173.53 3im7 n SER 136 N -1.07 0.33 0.00 3.99 7.64 -1.26 0.28 113.62 123.53 3im7 n SER 136 Ca -0.05 -1.31 0.00 0.00 1.01 0.00 0.00 58.87 58.52 3im7 n SER 136 Cb 0.60 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 3im7 n SER 136 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3im7 n LEU 143 N 0.00 0.00 -4.78 -3.43 -0.00 -1.26 -4.71 117.00 102.81 3im7 n LEU 143 Ca 0.05 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.68 3im7 n LEU 143 Cb 0.19 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.54 3im7 n LEU 143 CO 0.13 0.00 0.50 0.00 -0.00 0.00 0.00 177.39 178.02 3im7 s ALA 144 N -2.84 3.41 0.43 1.47 0.00 -1.26 -4.90 121.76 118.08 3im7 s ALA 144 Ca 0.00 0.36 -0.13 0.00 0.00 0.00 0.00 51.96 52.20 3im7 s ALA 144 Cb 0.00 -2.97 -0.07 0.00 0.00 0.00 0.00 23.12 20.08 3im7 s ALA 144 CO 0.00 0.28 0.84 -0.06 0.00 0.00 0.00 175.76 176.82 3im7 s PHE 145 N -1.26 3.46 0.52 0.00 0.08 -0.60 -4.88 117.98 115.30 3im7 s PHE 145 Ca 0.39 1.19 -0.22 0.00 0.12 0.00 0.00 56.93 58.41 3im7 s PHE 145 Cb -0.22 -2.56 -0.06 0.00 -0.57 0.00 0.00 43.02 39.61 3im7 s PHE 145 CO 0.26 -0.18 1.29 -0.51 -0.10 0.00 0.00 175.22 175.98 3im7 s ASP 146 N -3.07 5.57 -0.11 1.36 1.01 0.14 -0.75 116.67 120.82 3im7 s ASP 146 Ca 0.54 2.61 0.01 0.00 0.71 0.00 0.00 52.55 56.42 3im7 s ASP 146 Cb -0.10 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.19 3im7 s ASP 146 CO 0.30 -1.35 -0.15 -0.69 0.21 0.00 0.00 175.17 173.50 3im7 s VAL 147 N -1.39 2.93 0.00 -1.27 1.01 -1.26 -0.47 120.40 119.96 3im7 s VAL 147 Ca 0.69 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3im7 s VAL 147 Cb -0.36 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 33.82 3im7 s VAL 147 CO 0.43 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.69 3im7 n GLY 148 N 3.27 3.22 3.24 4.51 0.00 -0.29 -2.01 105.19 117.12 3im7 n GLY 148 Ca -0.18 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 3im7 n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3im7 s LEU 149 N 0.00 2.03 0.06 0.99 1.43 -0.71 0.12 118.68 122.59 3im7 s LEU 149 Ca 0.00 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 3im7 s LEU 149 Cb 0.00 -1.18 0.01 0.00 0.03 0.00 0.00 46.19 45.05 3im7 s LEU 149 CO 0.00 0.26 0.23 0.00 0.23 0.00 0.00 176.35 177.06 3im7 s GLN 150 N -0.39 0.77 0.09 1.70 -2.07 -0.63 -4.86 119.66 114.28 3im7 s GLN 150 Ca 0.05 -0.69 -0.15 0.00 -1.82 0.00 0.00 55.36 52.75 3im7 s GLN 150 Cb -0.10 0.32 -0.11 0.00 -1.09 0.00 0.00 33.01 32.03 3im7 s GLN 150 CO 0.00 -0.24 1.37 0.93 -1.32 0.00 0.00 175.29 176.04 3im7 h GLU 151 N 3.18 0.69 -5.95 9.60 5.08 -1.93 0.20 114.58 125.44 3im7 h GLU 151 Ca -0.33 -0.42 -0.59 0.00 -1.00 0.00 0.00 59.36 57.02 3im7 h GLU 151 Cb 1.20 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.41 3im7 h GLU 151 CO 0.50 1.04 0.61 0.34 -1.00 0.00 0.00 179.01 180.50 3im7 s ASP 152 N -6.65 6.89 0.00 1.42 -1.08 -1.26 -4.79 116.67 111.20 3im7 s ASP 152 Ca -0.12 1.07 0.20 0.00 -0.52 0.00 0.00 52.55 53.18 3im7 s ASP 152 Cb 0.08 -2.48 0.44 0.00 -1.46 0.00 0.00 42.92 39.50 3im7 s ASP 152 CO 0.84 -0.63 1.37 0.35 0.52 0.00 0.00 175.17 177.62 3im7 n THR 153 N 5.42 0.69 -2.95 1.71 -2.24 -1.26 -4.80 114.28 110.84 3im7 n THR 153 Ca 0.08 -0.84 -0.44 0.00 -2.27 0.00 0.00 64.05 60.58 3im7 n THR 153 Cb 0.47 0.79 -0.00 0.00 -2.10 0.00 0.00 70.33 69.48 3im7 n THR 153 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3im7 s THR 154 N -1.22 5.00 0.00 4.28 -4.23 -1.26 -4.78 115.64 113.43 3im7 s THR 154 Ca 0.37 -2.46 0.00 0.00 -1.18 0.00 0.00 61.69 58.41 3im7 s THR 154 Cb 0.20 -4.88 0.00 0.00 1.34 0.00 0.00 72.50 69.16 3im7 s THR 154 CO 0.28 -1.59 0.00 0.61 -0.54 0.00 0.00 174.62 173.38 3im7 n GLY 155 N 4.33 0.61 0.11 3.99 0.00 -1.26 -5.01 105.19 107.95 3im7 n GLY 155 Ca 0.34 -1.15 0.12 0.00 0.00 0.00 0.00 46.02 45.33 3im7 n GLY 155 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3im7 h GLU 156 N 0.00 0.00 -0.18 1.61 5.08 -1.95 -3.40 114.58 115.73 3im7 h GLU 156 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3im7 h GLU 156 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3im7 h GLU 156 CO 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 179.01 177.93 3im7 h ALA 157 N 2.16 1.53 -0.08 3.43 0.00 -1.92 -0.87 119.26 123.51 3im7 h ALA 157 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3im7 h ALA 157 Cb 0.92 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3im7 h ALA 157 CO 0.00 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.59 3im7 s TRP 159 N -1.90 2.92 -0.06 0.00 0.52 -0.33 -4.49 118.94 115.60 3im7 s TRP 159 Ca 0.32 0.00 -0.00 0.00 0.02 0.00 0.00 56.10 56.45 3im7 s TRP 159 Cb 0.17 -1.67 0.02 0.00 -1.15 0.00 0.00 33.47 30.84 3im7 s TRP 159 CO 0.26 0.35 -0.03 -1.58 0.02 0.00 0.00 176.95 175.98 3im7 s TRP 160 N -0.89 0.76 0.29 -1.98 0.52 -0.95 -1.21 118.94 115.50 3im7 s TRP 160 Ca 0.14 -0.23 -0.28 0.00 0.02 0.00 0.00 56.10 55.76 3im7 s TRP 160 Cb -0.11 -0.76 -0.09 0.00 -1.15 0.00 0.00 33.47 31.35 3im7 s TRP 160 CO 0.04 -0.28 0.95 0.95 0.02 0.00 0.00 176.95 178.64 3im7 s THR 161 N 1.44 4.10 -0.15 2.01 -4.23 0.44 -0.41 115.64 118.84 3im7 s THR 161 Ca -0.03 1.89 -0.06 0.00 -1.18 0.00 0.00 61.69 62.31 3im7 s THR 161 Cb -0.13 -4.12 -0.04 0.00 1.34 0.00 0.00 72.50 69.55 3im7 s THR 161 CO -0.03 0.28 0.08 -0.51 -0.54 0.00 0.00 174.62 173.91 3im7 s ILE 162 N -1.43 4.99 -0.00 2.99 2.07 -0.59 -1.56 121.20 127.67 3im7 s ILE 162 Ca 0.47 0.03 -0.01 0.00 -1.41 0.00 0.00 60.65 59.72 3im7 s ILE 162 Cb -0.22 -3.20 -0.00 0.00 0.13 0.00 0.00 42.46 39.16 3im7 s ILE 162 CO 0.28 0.54 0.02 -1.00 -1.91 0.00 0.00 174.94 172.87 3im7 s HIS 163 N -0.31 0.07 0.62 3.50 3.76 -0.35 0.61 115.29 123.18 3im7 s HIS 163 Ca 0.09 -0.13 -0.18 0.00 -0.15 0.00 0.00 55.06 54.70 3im7 s HIS 163 Cb -0.12 -0.06 -0.02 0.00 1.11 0.00 0.00 32.58 33.49 3im7 s HIS 163 CO 0.01 -0.09 1.19 -2.14 -0.85 0.00 0.00 174.74 172.86 3im7 s PRO 164 N -0.57 2.87 0.29 8.40 0.02 -1.26 0.05 135.00 144.80 3im7 s PRO 164 Ca -0.06 1.75 -0.01 0.00 0.02 0.00 0.00 61.00 62.70 3im7 s PRO 164 Cb -0.04 -1.92 0.44 0.00 0.02 0.00 0.00 34.50 33.00 3im7 s PRO 164 CO -0.00 -1.27 1.88 0.00 -0.33 0.00 0.00 177.00 177.28 3im7 h ALA 165 N 0.65 1.29 -2.17 -1.55 0.00 -1.86 -3.42 119.26 112.20 3im7 h ALA 165 Ca -0.50 -0.16 -0.43 0.00 0.00 0.00 0.00 54.91 53.83 3im7 h ALA 165 Cb 1.29 -0.24 0.18 0.00 0.00 0.00 0.00 17.79 19.01 3im7 h ALA 165 CO 0.54 0.52 0.16 -1.54 0.00 0.00 0.00 179.25 178.94 3im7 s SER 166 N -6.52 1.67 0.31 0.00 1.04 -1.26 -4.96 113.70 103.98 3im7 s SER 166 Ca -0.10 0.86 0.16 0.00 0.48 0.00 0.00 55.95 57.35 3im7 s SER 166 Cb 0.16 -1.30 0.38 0.00 0.10 0.00 0.00 66.02 65.36 3im7 s SER 166 CO 0.79 -3.68 1.59 0.07 0.98 0.00 0.00 173.24 172.99 3im7 h LYS 167 N -2.28 0.00 -7.03 4.02 5.09 -2.05 -3.44 116.57 110.89 3im7 h LYS 167 Ca -0.50 0.00 -0.54 0.00 0.09 0.00 0.00 60.65 59.70 3im7 h LYS 167 Cb 1.31 0.00 0.12 0.00 0.10 0.00 0.00 32.23 33.76 3im7 h LYS 167 CO 0.45 0.50 0.61 1.14 -2.09 0.00 0.00 179.45 180.06 3im7 s GLN 168 N -3.32 3.35 -0.06 0.07 1.03 -1.26 -4.97 119.66 114.50 3im7 s GLN 168 Ca 0.01 2.20 0.16 0.00 0.04 0.00 0.00 55.36 57.76 3im7 s GLN 168 Cb 0.10 -2.37 -0.22 0.00 0.03 0.00 0.00 33.01 30.55 3im7 s GLN 168 CO 0.72 -1.01 0.52 0.54 -2.54 0.00 0.00 175.29 173.52 3im7 n ARG 169 N -0.76 0.65 -2.89 9.60 5.12 -1.26 -4.77 116.66 122.34 3im7 n ARG 169 Ca 0.09 0.16 -0.18 0.00 -1.93 0.00 0.00 57.85 55.99 3im7 n ARG 169 Cb 0.45 -1.70 -0.00 0.00 -1.16 0.00 0.00 32.46 30.05 3im7 n ARG 169 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3im7 n SER 170 N -2.87 -4.00 -4.68 0.55 7.64 -1.26 -4.56 113.62 104.44 3im7 n SER 170 Ca -0.19 -0.10 -0.42 0.00 1.01 0.00 0.00 58.87 59.17 3im7 n SER 170 Cb 1.01 -3.34 -0.03 0.00 -1.01 0.00 0.00 64.21 60.83 3im7 n SER 170 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3im7 s GLU 171 N -5.52 4.15 0.00 1.43 2.56 -1.26 -1.74 118.70 118.32 3im7 s GLU 171 Ca 0.20 2.54 0.00 0.00 0.00 0.00 0.00 54.97 57.71 3im7 s GLU 171 Cb -0.10 -3.75 0.00 0.00 2.00 0.00 0.00 34.13 32.27 3im7 s GLU 171 CO 0.25 -0.85 0.00 0.41 -0.56 0.00 0.00 175.26 174.50 3im7 n GLY 172 N 4.27 1.72 3.82 -1.50 0.00 -0.50 -4.96 105.19 108.03 3im7 n GLY 172 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3im7 n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3im7 s GLU 173 N -0.45 4.16 0.25 1.61 2.02 -0.71 -4.68 118.70 120.90 3im7 s GLU 173 Ca 0.00 1.13 -0.30 0.00 0.02 0.00 0.00 54.97 55.82 3im7 s GLU 173 Cb 0.00 -2.17 -0.09 0.00 0.10 0.00 0.00 34.13 31.97 3im7 s GLU 173 CO 0.00 -0.10 1.24 0.15 0.02 0.00 0.00 175.26 176.57 3im7 s LYS 174 N -3.28 4.46 -0.21 1.61 1.02 -1.26 -1.10 119.74 120.98 3im7 s LYS 174 Ca 0.62 2.00 -0.29 0.00 0.02 0.00 0.00 55.97 58.32 3im7 s LYS 174 Cb -0.10 -3.17 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 3im7 s LYS 174 CO 0.16 -0.09 1.08 0.08 -0.92 0.00 0.00 175.35 175.66 3im7 s VAL 175 N -0.56 4.61 0.03 3.17 1.01 0.18 -4.88 120.40 123.96 3im7 s VAL 175 Ca 0.51 1.94 -0.08 0.00 0.00 0.00 0.00 61.98 64.34 3im7 s VAL 175 Cb -0.36 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.72 3im7 s VAL 175 CO 0.43 -0.15 0.32 -0.13 0.00 0.00 0.00 175.10 175.56 3im7 s ARG 176 N 3.14 3.66 0.18 2.72 0.52 -1.26 -1.40 118.95 126.51 3im7 s ARG 176 Ca 0.46 0.04 -0.32 0.00 -0.52 0.00 0.00 55.73 55.40 3im7 s ARG 176 Cb -0.17 -3.06 -0.11 0.00 0.52 0.00 0.00 34.95 32.13 3im7 s ARG 176 CO 0.09 0.62 1.74 0.08 0.02 0.00 0.00 175.30 177.85 3im7 s VAL 177 N -1.32 2.22 0.00 3.52 1.01 -0.03 -1.50 120.40 124.31 3im7 s VAL 177 Ca 0.29 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.34 3im7 s VAL 177 Cb -0.14 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.20 3im7 s VAL 177 CO 0.16 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.88 3im7 n GLY 178 N 4.03 2.54 3.75 4.51 0.00 -1.26 -4.89 105.19 113.87 3im7 n GLY 178 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3im7 n GLY 178 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3im7 s ASP 179 N -1.56 7.19 0.01 1.61 1.11 -0.56 -5.04 116.67 119.43 3im7 s ASP 179 Ca 0.00 2.25 -0.25 0.00 0.18 0.00 0.00 52.55 54.73 3im7 s ASP 179 Cb 0.00 -2.62 -0.05 0.00 1.07 0.00 0.00 42.92 41.33 3im7 s ASP 179 CO 0.00 -0.24 0.78 -1.81 1.18 0.00 0.00 175.17 175.09 3im7 s ASP 180 N -0.45 7.18 0.04 0.27 1.01 -1.26 -4.50 116.67 118.96 3im7 s ASP 180 Ca 0.48 1.42 0.04 0.00 0.71 0.00 0.00 52.55 55.20 3im7 s ASP 180 Cb -0.32 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.10 3im7 s ASP 180 CO 0.39 -0.06 -0.06 -0.76 0.21 0.00 0.00 175.17 174.89 3im7 s LEU 181 N 0.33 3.20 -0.09 1.23 1.43 0.16 -2.84 118.68 122.10 3im7 s LEU 181 Ca 0.40 -0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 53.29 3im7 s LEU 181 Cb -0.20 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 3im7 s LEU 181 CO 0.23 0.25 0.02 -0.63 0.23 0.00 0.00 176.35 176.44 3im7 s ILE 182 N -1.09 4.45 -0.12 -0.59 1.01 0.11 -0.78 121.20 124.19 3im7 s ILE 182 Ca 0.19 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.66 3im7 s ILE 182 Cb -0.11 -2.89 0.02 0.00 0.01 0.00 0.00 42.46 39.49 3im7 s ILE 182 CO 0.10 0.60 -0.13 -0.76 0.00 0.00 0.00 174.94 174.75 3im7 s LEU 183 N -0.83 1.62 -0.17 2.97 1.43 -1.26 -1.21 118.68 121.24 3im7 s LEU 183 Ca 0.13 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 3im7 s LEU 183 Cb -0.11 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 45.02 3im7 s LEU 183 CO 0.02 -0.03 -0.11 -0.69 0.23 0.00 0.00 176.35 175.77 3im7 s VAL 184 N 1.28 3.02 0.08 -1.59 1.01 -0.60 -0.98 120.40 122.63 3im7 s VAL 184 Ca -0.01 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.02 3im7 s VAL 184 Cb -0.14 -2.30 -0.09 0.00 0.00 0.00 0.00 36.38 33.85 3im7 s VAL 184 CO -0.06 0.49 1.79 -0.55 0.00 0.00 0.00 175.10 176.77 3im7 s SER 185 N 0.85 6.49 0.26 3.32 0.15 0.61 -0.42 113.70 124.96 3im7 s SER 185 Ca -0.03 2.64 -0.04 0.00 0.70 0.00 0.00 55.95 59.21 3im7 s SER 185 Cb -0.15 -2.56 0.32 0.00 -1.71 0.00 0.00 66.02 61.92 3im7 s SER 185 CO 0.00 -0.97 1.87 0.58 1.20 0.00 0.00 173.24 175.92 3im7 h VAL 186 N 4.91 1.24 -0.08 4.45 2.07 -1.35 0.55 116.25 128.03 3im7 h VAL 186 Ca -0.45 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 3im7 h VAL 186 Cb 1.21 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3im7 h VAL 186 CO 0.94 0.28 -0.11 0.77 0.02 0.00 0.00 177.57 179.47 3im7 h SER 187 N 1.09 0.24 0.00 0.57 4.64 -1.78 -3.37 113.55 114.94 3im7 h SER 187 Ca 0.27 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3im7 h SER 187 Cb 0.08 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3im7 h SER 187 CO -0.04 0.71 -1.43 -1.54 -0.87 0.00 0.00 176.83 173.66 3im7 n SER 188 N -4.65 0.84 0.00 4.97 3.41 -1.23 -4.99 113.62 111.97 3im7 n SER 188 Ca -0.07 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 3im7 n SER 188 Cb 0.34 1.50 0.00 0.00 -0.26 0.00 0.00 64.21 65.79 3im7 n SER 188 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3im7 n GLU 189 N -1.84 -0.10 -1.92 4.33 -0.58 0.18 -5.02 120.64 115.69 3im7 n GLU 189 Ca -0.01 0.02 -0.32 0.00 -0.42 0.00 0.00 57.16 56.44 3im7 n GLU 189 Cb 0.39 -3.50 0.02 0.00 -0.57 0.00 0.00 31.44 27.78 3im7 n GLU 189 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3im7 s ARG 190 N -0.52 3.28 0.13 3.49 1.81 -1.26 -4.67 118.95 121.21 3im7 s ARG 190 Ca 0.00 1.07 -0.17 0.00 -1.72 0.00 0.00 55.73 54.91 3im7 s ARG 190 Cb 0.00 -2.03 -0.07 0.00 -0.45 0.00 0.00 34.95 32.40 3im7 s ARG 190 CO 0.00 -0.83 0.57 0.71 -0.68 0.00 0.00 175.30 175.08 3im7 s TYR 191 N -2.70 3.68 -0.02 -0.53 2.02 -0.17 -0.29 117.35 119.34 3im7 s TYR 191 Ca 0.61 1.17 -0.30 0.00 -0.37 0.00 0.00 57.07 58.18 3im7 s TYR 191 Cb -0.14 -2.44 -0.07 0.00 -0.40 0.00 0.00 41.96 38.91 3im7 s TYR 191 CO 0.43 0.48 1.76 -1.17 -1.57 0.00 0.00 175.55 175.47 3im7 s LEU 192 N -1.66 4.36 -0.01 -1.29 2.96 -0.15 -0.97 118.68 121.91 3im7 s LEU 192 Ca 0.35 2.38 0.02 0.00 -0.22 0.00 0.00 54.13 56.67 3im7 s LEU 192 Cb -0.17 -3.53 -0.00 0.00 0.50 0.00 0.00 46.19 42.99 3im7 s LEU 192 CO 0.19 -0.97 -0.07 -2.28 -1.32 0.00 0.00 176.35 171.90 3im7 s HIS 193 N 4.17 0.70 -0.22 5.38 5.65 0.47 -3.85 115.29 127.59 3im7 s HIS 193 Ca 0.78 -0.14 -0.23 0.00 0.25 0.00 0.00 55.06 55.72 3im7 s HIS 193 Cb -0.36 -0.48 -0.01 0.00 -1.18 0.00 0.00 32.58 30.54 3im7 s HIS 193 CO 0.34 -0.04 0.74 -1.17 -0.65 0.00 0.00 174.74 173.96 3im7 s LEU 194 N -0.02 4.11 0.09 8.88 2.96 -1.26 -1.20 118.68 132.24 3im7 s LEU 194 Ca 0.01 0.95 0.09 0.00 -0.22 0.00 0.00 54.13 54.96 3im7 s LEU 194 Cb -0.05 -3.06 -0.03 0.00 0.50 0.00 0.00 46.19 43.55 3im7 s LEU 194 CO -0.00 -0.41 -0.24 -0.55 -1.32 0.00 0.00 176.35 173.83 3im7 s SER 195 N 1.30 2.95 -0.11 3.68 0.15 0.94 -4.98 113.70 117.63 3im7 s SER 195 Ca 0.32 -0.65 -0.01 0.00 0.70 0.00 0.00 55.95 56.31 3im7 s SER 195 Cb -0.16 -0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 63.91 3im7 s SER 195 CO 0.09 0.17 -0.06 -0.47 1.20 0.00 0.00 173.24 174.18 3im7 s TYR 196 N -0.96 2.98 0.00 3.44 5.04 -1.26 0.11 117.35 126.69 3im7 s TYR 196 Ca 0.11 -0.17 0.00 0.00 -2.44 0.00 0.00 57.07 54.56 3im7 s TYR 196 Cb -0.10 -1.84 0.00 0.00 0.35 0.00 0.00 41.96 40.38 3im7 s TYR 196 CO 0.04 0.13 0.00 0.41 -1.34 0.00 0.00 175.55 174.78 3im7 n GLY 197 N 2.92 0.57 0.10 8.97 0.00 0.54 -4.97 105.19 113.31 3im7 n GLY 197 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 3im7 n GLY 197 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3im7 h ASN 198 N 0.00 0.20 0.00 1.61 -0.26 -2.02 -3.44 115.58 111.67 3im7 h ASN 198 Ca 0.00 -0.31 0.00 0.00 -0.56 0.00 0.00 56.30 55.43 3im7 h ASN 198 Cb 0.00 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.20 3im7 h ASN 198 CO 0.00 1.27 0.00 -1.54 -1.06 0.00 0.00 177.43 176.10 3im7 n SER 199 N -3.30 0.00 -4.21 5.81 3.41 -1.26 -5.14 113.62 108.93 3im7 n SER 199 Ca -0.15 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.34 3im7 n SER 199 Cb 1.03 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.88 3im7 n SER 199 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3im7 s SER 200 N 0.00 0.59 -0.10 4.04 0.01 -1.26 -5.15 113.70 111.83 3im7 s SER 200 Ca 0.00 -1.28 -0.11 0.00 1.31 0.00 0.00 55.95 55.87 3im7 s SER 200 Cb 0.00 0.26 -0.05 0.00 0.21 0.00 0.00 66.02 66.45 3im7 s SER 200 CO 0.00 -0.73 0.24 0.26 0.41 0.00 0.00 173.24 173.42 3im7 s TRP 201 N -3.95 3.60 0.20 2.43 0.52 -1.26 -0.34 118.94 120.13 3im7 s TRP 201 Ca 0.30 0.66 0.03 0.00 0.02 0.00 0.00 56.10 57.12 3im7 s TRP 201 Cb 0.07 -2.12 -0.05 0.00 -1.15 0.00 0.00 33.47 30.22 3im7 s TRP 201 CO 0.07 0.60 -0.01 -1.01 0.02 0.00 0.00 176.95 176.62 3im7 s HIS 202 N -0.72 1.37 -0.06 -1.98 3.76 0.30 -4.53 115.29 113.43 3im7 s HIS 202 Ca 0.17 -0.94 0.05 0.00 -0.15 0.00 0.00 55.06 54.19 3im7 s HIS 202 Cb -0.13 -0.78 -0.01 0.00 1.11 0.00 0.00 32.58 32.76 3im7 s HIS 202 CO 0.06 -0.10 -0.22 0.54 -0.85 0.00 0.00 174.74 174.17 3im7 s VAL 203 N -3.51 2.29 0.07 -0.90 0.11 -1.26 -0.04 120.40 117.17 3im7 s VAL 203 Ca 0.25 -0.98 0.00 0.00 -2.93 0.00 0.00 61.98 58.32 3im7 s VAL 203 Cb 0.05 -1.85 0.00 0.00 -1.53 0.00 0.00 36.38 33.05 3im7 s VAL 203 CO 0.06 0.57 0.09 -0.90 -3.33 0.00 0.00 175.10 171.59 3im7 n ASP 204 N 2.89 -0.25 -4.13 3.54 5.68 -0.34 -4.43 116.55 119.52 3im7 n ASP 204 Ca -0.17 -1.41 -0.34 0.00 -0.50 0.00 0.00 54.79 52.37 3im7 n ASP 204 Cb 0.52 0.49 -0.14 0.00 -1.14 0.00 0.00 41.12 40.85 3im7 n ASP 204 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3im7 s ALA 205 N -1.92 2.73 0.32 2.12 0.00 0.07 -0.39 121.76 124.68 3im7 s ALA 205 Ca 0.06 -1.82 0.03 0.00 0.00 0.00 0.00 51.96 50.23 3im7 s ALA 205 Cb -0.00 -1.82 -0.05 0.00 0.00 0.00 0.00 23.12 21.25 3im7 s ALA 205 CO 0.05 -1.28 0.08 0.00 0.00 0.00 0.00 175.76 174.61 3im7 s ALA 206 N 1.18 2.24 -0.86 0.00 0.00 -0.15 -1.55 121.76 122.61 3im7 s ALA 206 Ca -0.06 -1.87 0.22 0.00 0.00 0.00 0.00 51.96 50.25 3im7 s ALA 206 Cb -0.20 0.81 0.91 0.00 0.00 0.00 0.00 23.12 24.64 3im7 s ALA 206 CO -0.03 -0.37 1.70 1.19 0.00 0.00 0.00 175.76 178.26 3im7 n PHE 207 N -0.65 0.29 -4.18 0.00 3.72 -1.26 -0.99 117.46 114.39 3im7 n PHE 207 Ca -0.02 0.10 -0.26 0.00 -0.05 0.00 0.00 57.45 57.22 3im7 n PHE 207 Cb 0.66 -0.66 -0.07 0.00 -0.94 0.00 0.00 39.48 38.47 3im7 n PHE 207 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3im7 s GLN 208 N -3.07 2.53 0.42 -1.08 -0.21 -1.26 -4.90 119.66 112.09 3im7 s GLN 208 Ca 0.09 -1.07 -0.09 0.00 0.02 0.00 0.00 55.36 54.30 3im7 s GLN 208 Cb 0.13 -2.42 -0.06 0.00 1.00 0.00 0.00 33.01 31.66 3im7 s GLN 208 CO 0.42 0.45 0.77 1.14 -2.12 0.00 0.00 175.29 175.95 3im7 s GLN 209 N -3.08 3.73 0.01 2.91 -2.07 -1.26 -4.56 119.66 115.35 3im7 s GLN 209 Ca 0.29 0.42 0.02 0.00 -1.82 0.00 0.00 55.36 54.27 3im7 s GLN 209 Cb -0.09 -2.39 -0.01 0.00 -1.09 0.00 0.00 33.01 29.42 3im7 s GLN 209 CO 0.20 -0.06 -0.07 0.99 -1.32 0.00 0.00 175.29 175.03 3im7 s THR 210 N -2.43 0.54 -0.03 3.63 2.01 -1.25 -4.86 115.64 113.25 3im7 s THR 210 Ca 0.50 -0.58 -0.21 0.00 0.31 0.00 0.00 61.69 61.71 3im7 s THR 210 Cb -0.10 -0.51 -0.05 0.00 0.01 0.00 0.00 72.50 71.85 3im7 s THR 210 CO 0.34 -0.04 0.62 -0.76 -0.69 0.00 0.00 174.62 174.08 3im7 s LEU 211 N -0.68 4.38 -0.03 4.42 1.43 -1.26 -4.53 118.68 122.39 3im7 s LEU 211 Ca -0.02 1.15 0.08 0.00 -1.03 0.00 0.00 54.13 54.30 3im7 s LEU 211 Cb -0.05 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.19 3im7 s LEU 211 CO 0.00 0.03 -0.26 0.26 0.23 0.00 0.00 176.35 176.61 3im7 s TRP 212 N 0.18 2.36 -0.32 0.29 0.52 0.04 -4.54 118.94 117.47 3im7 s TRP 212 Ca 0.33 -0.51 -0.12 0.00 0.02 0.00 0.00 56.10 55.82 3im7 s TRP 212 Cb -0.18 -1.52 -0.03 0.00 -1.15 0.00 0.00 33.47 30.59 3im7 s TRP 212 CO 0.17 -0.09 0.21 -1.12 0.02 0.00 0.00 176.95 176.15 3im7 s SER 213 N -0.49 5.98 -0.44 2.95 0.01 0.75 0.36 113.70 122.81 3im7 s SER 213 Ca 0.06 -0.30 -0.12 0.00 1.31 0.00 0.00 55.95 56.90 3im7 s SER 213 Cb -0.11 -2.11 0.07 0.00 0.21 0.00 0.00 66.02 64.08 3im7 s SER 213 CO 0.00 -0.17 0.31 -0.69 0.41 0.00 0.00 173.24 173.10 3im7 s VAL 214 N 1.72 4.70 -0.07 3.43 1.01 -1.26 -0.72 120.40 129.21 3im7 s VAL 214 Ca 0.06 -1.20 0.05 0.00 0.00 0.00 0.00 61.98 60.90 3im7 s VAL 214 Cb -0.17 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 3im7 s VAL 214 CO 0.10 -0.51 -0.24 0.00 0.00 0.00 0.00 175.10 174.45 3im7 s ALA 215 N 1.53 2.11 0.71 5.51 0.00 -0.62 -4.70 121.76 126.29 3im7 s ALA 215 Ca 0.03 -0.99 -0.15 0.00 0.00 0.00 0.00 51.96 50.85 3im7 s ALA 215 Cb -0.23 -0.70 0.03 0.00 0.00 0.00 0.00 23.12 22.22 3im7 s ALA 215 CO 0.05 0.37 1.18 -2.14 0.00 0.00 0.00 175.76 175.22 3im7 s PRO 216 N -0.00 2.34 0.00 0.00 0.02 -1.26 -1.52 135.00 134.58 3im7 s PRO 216 Ca -0.08 1.67 0.00 0.00 0.02 0.00 0.00 61.00 62.61 3im7 s PRO 216 Cb -0.15 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.51 3im7 s PRO 216 CO 0.05 -1.66 0.00 -0.89 -0.33 0.00 0.00 177.00 174.17