#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a12 s LYS 22 N 0.00 1.82 0.14 -1.58 2.47 -1.26 -4.89 119.74 116.44 1a12 s LYS 22 Ca 0.00 -0.28 -0.31 0.00 -1.56 0.00 0.00 55.97 53.82 1a12 s LYS 22 Cb 0.00 -4.99 -0.09 0.00 -1.46 0.00 0.00 37.83 31.29 1a12 s LYS 22 CO 0.00 -4.50 1.49 0.08 0.16 0.00 0.00 175.35 172.58 1a12 s VAL 23 N 13.89 2.93 0.42 4.02 1.01 -1.26 -4.92 120.40 136.48 1a12 s VAL 23 Ca 0.80 0.67 -0.22 0.00 0.00 0.00 0.00 61.98 63.23 1a12 s VAL 23 Cb -0.07 -3.43 -0.11 0.00 0.00 0.00 0.00 36.38 32.78 1a12 s VAL 23 CO 0.11 0.05 0.95 -0.54 0.00 0.00 0.00 175.10 175.67 1a12 s LYS 24 N 1.14 4.27 0.18 2.72 1.02 -1.26 -4.49 119.74 123.32 1a12 s LYS 24 Ca 0.68 1.15 0.08 0.00 0.02 0.00 0.00 55.97 57.89 1a12 s LYS 24 Cb -0.41 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 34.60 1a12 s LYS 24 CO 0.31 0.00 -0.16 0.14 -0.92 0.00 0.00 175.35 174.72 1a12 s VAL 25 N -2.10 1.71 0.00 3.17 -7.23 0.13 -4.96 120.40 111.12 1a12 s VAL 25 Ca 0.61 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 1a12 s VAL 25 Cb -0.10 -1.89 0.00 0.00 0.56 0.00 0.00 36.38 34.95 1a12 s VAL 25 CO 0.14 -0.46 0.00 -0.24 -0.31 0.00 0.00 175.10 174.23 1a12 n SER 26 N 0.01 0.68 -3.55 4.85 2.88 -1.26 -4.71 113.62 112.51 1a12 n SER 26 Ca -0.11 -0.45 -0.08 0.00 -1.33 0.00 0.00 58.87 56.90 1a12 n SER 26 Cb 0.59 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.01 1a12 n SER 26 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1a12 s HIS 27 N -0.93 -0.30 0.17 0.66 2.46 -1.26 -4.87 115.29 111.22 1a12 s HIS 27 Ca 0.00 0.34 0.33 0.00 0.47 0.00 0.00 55.06 56.20 1a12 s HIS 27 Cb 0.00 0.50 1.39 0.00 -0.13 0.00 0.00 32.58 34.34 1a12 s HIS 27 CO 0.00 -0.39 2.00 0.07 -2.47 0.00 0.00 174.74 173.95 1a12 h ARG 28 N 2.21 0.00 0.00 2.88 0.11 -2.00 -2.18 114.38 115.41 1a12 h ARG 28 Ca -0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.90 1a12 h ARG 28 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1a12 h ARG 28 CO 0.29 0.04 0.00 -1.13 0.10 0.00 0.00 179.97 179.27 1a12 n SER 29 N -3.17 0.65 -4.74 0.08 3.41 -1.26 -4.89 113.62 103.71 1a12 n SER 29 Ca 0.00 0.58 -0.41 0.00 -0.26 0.00 0.00 58.87 58.78 1a12 n SER 29 Cb 0.30 -0.75 -0.04 0.00 -0.26 0.00 0.00 64.21 63.47 1a12 n SER 29 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1a12 s HIS 30 N -3.12 3.48 0.06 7.33 3.76 -0.82 -5.00 115.29 120.97 1a12 s HIS 30 Ca 0.10 1.48 -0.19 0.00 -0.15 0.00 0.00 55.06 56.30 1a12 s HIS 30 Cb 0.13 -3.38 -0.06 0.00 1.11 0.00 0.00 32.58 30.37 1a12 s HIS 30 CO 0.54 -1.00 0.56 -1.12 -0.85 0.00 0.00 174.74 172.87 1a12 s SER 31 N 0.05 7.04 0.00 1.40 0.01 -1.26 -4.98 113.70 115.96 1a12 s SER 31 Ca 0.52 1.23 0.00 0.00 1.31 0.00 0.00 55.95 59.01 1a12 s SER 31 Cb -0.31 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1a12 s SER 31 CO 0.36 0.27 0.00 0.35 0.41 0.00 0.00 173.24 174.63 1a12 n THR 32 N 1.81 0.00 -3.16 1.44 -2.24 -1.26 -4.85 114.28 106.02 1a12 n THR 32 Ca -0.10 -0.30 -0.40 0.00 -2.27 0.00 0.00 64.05 60.97 1a12 n THR 32 Cb 0.51 0.95 -0.07 0.00 -2.10 0.00 0.00 70.33 69.62 1a12 n THR 32 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1a12 s GLU 33 N -0.69 4.05 0.32 -0.78 0.41 -1.26 -4.96 118.70 115.78 1a12 s GLU 33 Ca 0.00 0.40 -0.29 0.00 -0.41 0.00 0.00 54.97 54.68 1a12 s GLU 33 Cb 0.00 -3.67 -0.10 0.00 -1.78 0.00 0.00 34.13 28.58 1a12 s GLU 33 CO 0.00 -0.42 1.32 -1.25 -0.49 0.00 0.00 175.26 174.42 1a12 s PRO 34 N 2.44 4.35 0.28 0.39 0.04 -1.26 -4.39 135.00 136.85 1a12 s PRO 34 Ca 0.24 2.22 -0.07 0.00 0.04 0.00 0.00 61.00 63.43 1a12 s PRO 34 Cb -0.15 -3.08 0.03 0.00 0.04 0.00 0.00 34.50 31.33 1a12 s PRO 34 CO 0.09 -0.22 0.49 0.41 0.04 0.00 0.00 177.00 177.81 1a12 n GLY 35 N 1.03 1.76 3.72 0.56 0.00 0.81 -4.81 105.19 108.26 1a12 n GLY 35 Ca 0.01 -1.36 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 1a12 n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a12 s LEU 36 N 0.00 3.61 -0.19 0.99 1.43 0.31 -1.88 118.68 122.95 1a12 s LEU 36 Ca 0.17 -0.09 -0.10 0.00 -1.03 0.00 0.00 54.13 53.08 1a12 s LEU 36 Cb -0.02 -2.29 -0.05 0.00 0.03 0.00 0.00 46.19 43.86 1a12 s LEU 36 CO 0.12 0.19 0.13 -0.69 0.23 0.00 0.00 176.35 176.33 1a12 s VAL 37 N -1.32 5.42 0.06 -1.59 1.01 -1.26 -0.92 120.40 121.81 1a12 s VAL 37 Ca 0.26 0.20 0.10 0.00 0.00 0.00 0.00 61.98 62.54 1a12 s VAL 37 Cb -0.12 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 1a12 s VAL 37 CO 0.19 0.47 -0.26 -0.76 0.00 0.00 0.00 175.10 174.73 1a12 s LEU 38 N 0.15 2.20 0.17 3.92 1.43 -0.01 -1.04 118.68 125.49 1a12 s LEU 38 Ca 0.09 -0.63 0.06 0.00 -1.03 0.00 0.00 54.13 52.63 1a12 s LEU 38 Cb -0.11 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 1a12 s LEU 38 CO -0.01 0.24 -0.12 0.42 0.23 0.00 0.00 176.35 177.10 1a12 s THR 39 N -0.86 1.43 0.19 5.49 -4.23 -0.16 -0.56 115.64 116.94 1a12 s THR 39 Ca 0.12 -2.08 -0.23 0.00 -1.18 0.00 0.00 61.69 58.32 1a12 s THR 39 Cb -0.10 -1.89 0.05 0.00 1.34 0.00 0.00 72.50 71.90 1a12 s THR 39 CO 0.03 -0.64 0.66 -1.48 -0.54 0.00 0.00 174.62 172.64 1a12 s LEU 40 N -3.14 -0.45 0.00 4.79 2.34 -0.79 -0.25 118.68 121.17 1a12 s LEU 40 Ca 0.18 -0.21 0.00 0.00 0.06 0.00 0.00 54.13 54.16 1a12 s LEU 40 Cb 0.00 2.61 0.00 0.00 -0.56 0.00 0.00 46.19 48.25 1a12 s LEU 40 CO 0.03 -1.08 0.00 0.61 -1.06 0.00 0.00 176.35 174.85 1a12 n GLY 41 N -0.40 -0.15 3.81 -3.48 0.00 0.15 -1.24 105.19 103.87 1a12 n GLY 41 Ca -0.12 -1.88 -0.37 0.00 0.00 0.00 0.00 46.02 43.65 1a12 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a12 s GLN 42 N 0.00 4.33 -0.06 1.61 -1.52 -0.10 -1.18 119.66 122.74 1a12 s GLN 42 Ca 0.00 0.95 0.23 0.00 -1.95 0.00 0.00 55.36 54.59 1a12 s GLN 42 Cb 0.00 -2.95 0.43 0.00 -0.22 0.00 0.00 33.01 30.27 1a12 s GLN 42 CO 0.00 0.43 1.18 0.41 -0.25 0.00 0.00 175.29 177.05 1a12 n GLY 43 N 0.90 1.91 0.36 3.09 0.00 0.75 -4.46 105.19 107.75 1a12 n GLY 43 Ca -0.03 -0.97 0.09 0.00 0.00 0.00 0.00 46.02 45.11 1a12 n GLY 43 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a12 h ASP 44 N 1.09 0.89 -0.29 1.61 3.32 -1.87 -2.49 116.42 118.69 1a12 h ASP 44 Ca -0.17 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1a12 h ASP 44 Cb 1.69 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 41.13 1a12 h ASP 44 CO 0.09 0.43 0.00 1.33 -1.72 0.00 0.00 179.24 179.37 1a12 n VAL 45 N -4.66 1.91 -0.00 -1.35 0.24 -1.26 -4.96 118.33 108.25 1a12 n VAL 45 Ca 0.20 -1.61 0.00 0.00 -2.04 0.00 0.00 64.34 60.89 1a12 n VAL 45 Cb 0.42 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 1a12 n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a12 n GLY 46 N -0.18 0.65 0.22 7.63 0.00 -0.94 -2.51 105.19 110.07 1a12 n GLY 46 Ca 0.19 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.36 1a12 n GLY 46 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1a12 h GLN 47 N 4.68 0.00 0.00 1.61 -0.00 -1.76 -1.00 115.11 118.64 1a12 h GLN 47 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.59 1a12 h GLN 47 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.47 1a12 h GLN 47 CO 0.00 0.00 -0.32 -0.07 -0.00 0.00 0.00 178.83 178.44 1a12 h LEU 48 N 0.00 0.00 1.30 0.06 3.38 -1.82 -3.41 115.31 114.81 1a12 h LEU 48 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1a12 h LEU 48 Cb 0.30 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1a12 h LEU 48 CO 0.00 0.30 -0.27 0.61 0.09 0.00 0.00 178.44 179.17 1a12 n GLY 49 N 1.18 0.34 0.96 0.83 0.00 -0.39 -4.77 105.19 103.34 1a12 n GLY 49 Ca 0.03 -0.43 0.06 0.00 0.00 0.00 0.00 46.02 45.68 1a12 n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a12 n LEU 50 N -1.55 3.99 0.00 0.99 4.77 -1.10 -4.31 117.00 119.80 1a12 n LEU 50 Ca -0.13 -3.13 0.00 0.00 -0.03 0.00 0.00 56.01 52.72 1a12 n LEU 50 Cb 0.53 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1a12 n LEU 50 CO 0.17 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 1a12 n GLY 51 N -0.60 -0.26 0.18 -0.72 0.00 0.23 -4.28 105.19 99.74 1a12 n GLY 51 Ca 0.24 -1.88 0.14 0.00 0.00 0.00 0.00 46.02 44.51 1a12 n GLY 51 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a12 h GLU 52 N 0.00 0.00 0.00 1.61 5.08 -1.88 -3.21 114.58 116.19 1a12 h GLU 52 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1a12 h GLU 52 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1a12 h GLU 52 CO 0.00 0.00 -1.50 0.09 -1.00 0.00 0.00 179.01 176.60 1a12 n ASN 53 N -2.55 0.41 -4.27 1.42 3.02 -1.26 -4.80 115.26 107.22 1a12 n ASN 53 Ca 0.02 -0.19 -0.44 0.00 -0.03 0.00 0.00 54.58 53.94 1a12 n ASN 53 Cb 0.31 1.39 -0.05 0.00 -0.61 0.00 0.00 39.78 40.81 1a12 n ASN 53 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1a12 s VAL 54 N -3.34 4.95 -0.73 2.41 1.01 -1.21 -4.88 120.40 118.61 1a12 s VAL 54 Ca -0.02 -1.97 0.23 0.00 0.00 0.00 0.00 61.98 60.23 1a12 s VAL 54 Cb 0.14 -4.16 -0.12 0.00 0.00 0.00 0.00 36.38 32.24 1a12 s VAL 54 CO 0.87 -0.89 1.05 0.23 0.00 0.00 0.00 175.10 176.35 1a12 n MET 55 N 4.66 0.20 -3.64 2.72 2.81 -1.26 -4.68 117.12 117.93 1a12 n MET 55 Ca -0.03 -0.01 -0.13 0.00 -1.81 0.00 0.00 57.70 55.72 1a12 n MET 55 Cb 0.42 -1.56 -0.07 0.00 -0.71 0.00 0.00 33.22 31.30 1a12 n MET 55 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1a12 s GLU 56 N -3.14 0.78 -0.12 0.03 2.12 -1.26 -0.18 118.70 116.94 1a12 s GLU 56 Ca 0.05 0.99 -0.01 0.00 0.36 0.00 0.00 54.97 56.37 1a12 s GLU 56 Cb 0.15 0.34 0.03 0.00 0.26 0.00 0.00 34.13 34.91 1a12 s GLU 56 CO 0.80 -0.10 -0.05 1.03 -0.54 0.00 0.00 175.26 176.39 1a12 s ARG 57 N 0.58 1.29 0.43 4.30 1.81 -0.33 -4.98 118.95 122.06 1a12 s ARG 57 Ca -0.02 -0.22 0.23 0.00 -1.72 0.00 0.00 55.73 54.00 1a12 s ARG 57 Cb -0.05 -1.54 0.32 0.00 -0.45 0.00 0.00 34.95 33.23 1a12 s ARG 57 CO -0.03 -0.31 1.60 0.87 -0.68 0.00 0.00 175.30 176.75 1a12 h LYS 58 N 8.20 0.00 -5.01 3.54 1.57 -1.87 0.46 116.57 123.47 1a12 h LYS 58 Ca -0.26 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.19 1a12 h LYS 58 Cb 1.13 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.27 1a12 h LYS 58 CO 0.37 0.03 -0.73 0.15 -0.57 0.00 0.00 179.45 178.70 1a12 s LYS 59 N -3.20 0.90 0.20 3.15 1.02 -1.26 -3.62 119.74 116.93 1a12 s LYS 59 Ca 0.07 -1.23 -0.32 0.00 0.02 0.00 0.00 55.97 54.50 1a12 s LYS 59 Cb 0.05 -0.56 -0.14 0.00 -0.52 0.00 0.00 37.83 36.66 1a12 s LYS 59 CO 0.68 0.08 1.39 -2.30 -0.92 0.00 0.00 175.35 174.28 1a12 n PRO 60 N 0.37 1.82 -4.89 -1.68 -0.02 -1.26 -4.75 135.00 124.59 1a12 n PRO 60 Ca -0.15 0.65 -0.27 0.00 -2.02 0.00 0.00 63.50 61.72 1a12 n PRO 60 Cb 0.58 -2.30 -0.15 0.00 -0.02 0.00 0.00 33.50 31.62 1a12 n PRO 60 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a12 s ALA 61 N 0.14 1.80 -0.01 3.55 0.00 0.65 -4.53 121.76 123.36 1a12 s ALA 61 Ca 0.72 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 51.39 1a12 s ALA 61 Cb -0.72 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 1a12 s ALA 61 CO 0.48 0.43 1.20 -1.17 0.00 0.00 0.00 175.76 176.69 1a12 s LEU 62 N -0.79 4.32 -0.25 0.00 2.96 -1.26 -0.99 118.68 122.66 1a12 s LEU 62 Ca 0.08 1.90 -0.09 0.00 -0.22 0.00 0.00 54.13 55.80 1a12 s LEU 62 Cb -0.09 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 1a12 s LEU 62 CO 0.00 -0.54 0.13 -0.69 -1.32 0.00 0.00 176.35 173.93 1a12 s VAL 63 N 1.76 4.86 -0.12 1.68 1.01 -0.21 -4.94 120.40 124.44 1a12 s VAL 63 Ca 0.57 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.27 1a12 s VAL 63 Cb -0.27 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 1a12 s VAL 63 CO 0.25 0.32 1.43 -0.44 0.00 0.00 0.00 175.10 176.65 1a12 s SER 64 N 1.50 6.83 -0.03 3.32 0.01 -1.26 -4.44 113.70 119.63 1a12 s SER 64 Ca 0.06 1.92 0.07 0.00 1.31 0.00 0.00 55.95 59.31 1a12 s SER 64 Cb -0.15 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.52 1a12 s SER 64 CO 0.06 -0.83 -0.23 -0.63 0.41 0.00 0.00 173.24 172.03 1a12 s ILE 65 N 3.71 2.31 0.62 1.44 -1.09 -1.26 -4.77 121.20 122.14 1a12 s ILE 65 Ca 0.62 -1.01 0.32 0.00 -2.23 0.00 0.00 60.65 58.36 1a12 s ILE 65 Cb -0.27 -1.83 0.37 0.00 -1.58 0.00 0.00 42.46 39.16 1a12 s ILE 65 CO 0.21 0.58 2.17 -0.65 -1.23 0.00 0.00 174.94 176.02 1a12 h PRO 66 N 5.52 0.00 -5.16 2.79 0.11 -1.99 -3.43 132.00 129.84 1a12 h PRO 66 Ca -0.43 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.25 1a12 h PRO 66 Cb 1.13 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.10 1a12 h PRO 66 CO 0.48 0.00 -0.63 -1.21 -0.21 0.00 0.00 178.00 176.43 1a12 s GLU 67 N -4.47 1.52 0.51 1.05 2.02 -1.26 -5.14 118.70 112.93 1a12 s GLU 67 Ca -0.05 -1.81 -0.21 0.00 0.02 0.00 0.00 54.97 52.91 1a12 s GLU 67 Cb 0.14 -0.73 -0.06 0.00 0.10 0.00 0.00 34.13 33.58 1a12 s GLU 67 CO 0.49 -0.16 1.19 -0.51 0.02 0.00 0.00 175.26 176.29 1a12 s ASP 68 N -3.41 5.82 -0.08 -0.19 1.01 -1.26 -4.94 116.67 113.63 1a12 s ASP 68 Ca 0.34 2.36 0.03 0.00 0.71 0.00 0.00 52.55 55.99 1a12 s ASP 68 Cb 0.07 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 1a12 s ASP 68 CO 0.13 -1.16 -0.18 -0.69 0.21 0.00 0.00 175.17 173.48 1a12 s VAL 69 N -1.56 2.71 -0.05 -1.27 1.01 -0.79 -1.25 120.40 119.20 1a12 s VAL 69 Ca 0.68 -0.82 0.20 0.00 0.00 0.00 0.00 61.98 62.05 1a12 s VAL 69 Cb -0.30 -2.06 -0.31 0.00 0.00 0.00 0.00 36.38 33.71 1a12 s VAL 69 CO 0.35 0.56 0.41 1.33 0.00 0.00 0.00 175.10 177.75 1a12 n VAL 70 N 2.93 0.14 -3.73 2.92 0.24 0.13 -0.13 118.33 120.82 1a12 n VAL 70 Ca -0.18 -0.51 -0.13 0.00 -2.04 0.00 0.00 64.34 61.49 1a12 n VAL 70 Cb 0.52 -0.03 -0.13 0.00 -1.47 0.00 0.00 33.84 32.74 1a12 n VAL 70 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1a12 s GLN 71 N -3.34 0.20 -0.14 7.34 0.74 -1.17 -4.57 119.66 118.72 1a12 s GLN 71 Ca -0.08 0.50 -0.00 0.00 0.05 0.00 0.00 55.36 55.83 1a12 s GLN 71 Cb 0.12 -0.12 0.03 0.00 1.10 0.00 0.00 33.01 34.15 1a12 s GLN 71 CO 0.85 -0.16 -0.08 0.00 -0.55 0.00 0.00 175.29 175.36 1a12 s ALA 72 N 1.20 1.48 -0.02 1.58 0.00 -1.26 -0.43 121.76 124.31 1a12 s ALA 72 Ca -0.09 -0.72 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1a12 s ALA 72 Cb -0.10 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 1a12 s ALA 72 CO -0.08 -0.54 -0.19 -1.21 0.00 0.00 0.00 175.76 173.74 1a12 s GLU 73 N 1.64 2.26 -0.26 0.00 0.41 0.27 -4.58 118.70 118.44 1a12 s GLU 73 Ca 0.03 -0.84 -0.12 0.00 -0.41 0.00 0.00 54.97 53.63 1a12 s GLU 73 Cb -0.14 -2.21 -0.05 0.00 -1.78 0.00 0.00 34.13 29.95 1a12 s GLU 73 CO -0.08 0.58 0.21 0.00 -0.49 0.00 0.00 175.26 175.48 1a12 s ALA 74 N -0.73 3.56 0.91 5.21 0.00 -1.26 -0.83 121.76 128.63 1a12 s ALA 74 Ca 0.12 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1a12 s ALA 74 Cb -0.10 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.55 1a12 s ALA 74 CO 0.01 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.76 1a12 n GLY 75 N 4.68 -0.67 0.05 0.00 0.00 0.10 -4.54 105.19 104.81 1a12 n GLY 75 Ca -0.13 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.08 1a12 n GLY 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1a12 h GLY 76 N 0.00 0.01 -2.64 -0.02 0.00 -1.19 -3.35 103.07 95.87 1a12 h GLY 76 Ca 0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.17 1a12 h GLY 76 CO 0.00 0.00 -0.87 1.03 0.00 0.00 0.00 176.54 176.70 1a12 n MET 77 N -4.99 0.00 -4.07 4.80 2.81 -1.26 -1.10 117.12 113.31 1a12 n MET 77 Ca -0.08 -1.74 -0.10 0.00 -1.81 0.00 0.00 57.70 53.97 1a12 n MET 77 Cb 0.12 0.02 -0.07 0.00 -0.71 0.00 0.00 33.22 32.58 1a12 n MET 77 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 1a12 s HIS 78 N 0.00 0.67 -0.01 2.03 0.00 -1.25 -1.72 115.29 115.01 1a12 s HIS 78 Ca 0.26 -0.98 0.00 0.00 -3.00 0.00 0.00 55.06 51.34 1a12 s HIS 78 Cb 0.29 -0.07 0.01 0.00 -4.00 0.00 0.00 32.58 28.82 1a12 s HIS 78 CO -0.13 -0.90 0.01 0.99 -1.00 0.00 0.00 174.74 173.71 1a12 s THR 79 N -3.97 0.02 -0.11 -5.38 2.01 0.40 0.02 115.64 108.63 1a12 s THR 79 Ca 0.28 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.35 1a12 s THR 79 Cb 0.02 -0.07 0.02 0.00 0.01 0.00 0.00 72.50 72.47 1a12 s THR 79 CO 0.11 0.04 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.28 1a12 s VAL 80 N 0.37 1.25 -0.13 3.82 1.01 -0.01 -1.66 120.40 125.06 1a12 s VAL 80 Ca -0.03 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1a12 s VAL 80 Cb -0.05 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.14 1a12 s VAL 80 CO -0.01 0.40 -0.21 0.00 0.00 0.00 0.00 175.10 175.27 1a12 s LEU 82 N 0.63 3.98 0.72 0.00 2.96 0.43 -0.78 118.68 126.61 1a12 s LEU 82 Ca -0.11 -0.00 -0.11 0.00 -0.22 0.00 0.00 54.13 53.69 1a12 s LEU 82 Cb -0.16 -2.10 0.02 0.00 0.50 0.00 0.00 46.19 44.45 1a12 s LEU 82 CO 0.02 -0.02 1.07 -0.94 -1.32 0.00 0.00 176.35 175.16 1a12 s SER 83 N 1.59 5.16 0.45 3.68 1.04 0.16 -0.70 113.70 125.08 1a12 s SER 83 Ca 0.07 1.62 0.14 0.00 0.48 0.00 0.00 55.95 58.26 1a12 s SER 83 Cb -0.15 -2.46 1.05 0.00 0.10 0.00 0.00 66.02 64.56 1a12 s SER 83 CO 0.09 -1.59 2.01 0.50 0.98 0.00 0.00 173.24 175.24 1a12 h LYS 84 N -0.82 0.35 -0.00 4.02 1.63 -1.49 -0.59 116.57 119.68 1a12 h LYS 84 Ca -0.44 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 1a12 h LYS 84 Cb 1.22 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 1a12 h LYS 84 CO 0.56 0.23 -0.03 -1.13 -3.45 0.00 0.00 179.45 175.63 1a12 n SER 85 N -4.47 0.25 0.00 4.20 3.41 -1.26 -4.91 113.62 110.84 1a12 n SER 85 Ca 0.07 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 58.02 1a12 n SER 85 Cb 0.30 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1a12 n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a12 n GLY 86 N 1.18 0.96 3.91 5.00 0.00 -0.23 -4.80 105.19 111.21 1a12 n GLY 86 Ca 0.18 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1a12 n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a12 s GLN 87 N -0.73 3.51 -0.17 1.61 -0.21 -1.26 -1.90 119.66 120.51 1a12 s GLN 87 Ca 0.00 -0.31 -0.05 0.00 0.02 0.00 0.00 55.36 55.02 1a12 s GLN 87 Cb 0.00 -2.96 -0.03 0.00 1.00 0.00 0.00 33.01 31.02 1a12 s GLN 87 CO 0.00 0.55 -0.00 0.08 -2.12 0.00 0.00 175.29 173.80 1a12 s VAL 88 N -1.58 4.15 -0.03 1.09 1.01 -1.26 0.40 120.40 124.18 1a12 s VAL 88 Ca 0.37 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.14 1a12 s VAL 88 Cb -0.13 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1a12 s VAL 88 CO 0.27 0.47 -0.17 -0.31 0.00 0.00 0.00 175.10 175.35 1a12 s TYR 89 N 0.54 2.60 0.05 5.22 1.51 0.04 -0.45 117.35 126.86 1a12 s TYR 89 Ca -0.01 -0.23 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1a12 s TYR 89 Cb -0.14 -1.58 -0.03 0.00 -0.11 0.00 0.00 41.96 40.10 1a12 s TYR 89 CO 0.02 0.14 -0.05 -1.54 -1.11 0.00 0.00 175.55 173.02 1a12 s SER 90 N -0.79 0.63 -0.19 2.29 1.04 -0.31 -0.40 113.70 115.99 1a12 s SER 90 Ca 0.12 -0.79 -0.27 0.00 0.48 0.00 0.00 55.95 55.48 1a12 s SER 90 Cb -0.10 0.12 0.07 0.00 0.10 0.00 0.00 66.02 66.21 1a12 s SER 90 CO 0.01 -0.42 0.72 0.72 0.98 0.00 0.00 173.24 175.25 1a12 s PHE 91 N -2.75 -0.72 -3.00 5.02 -0.71 -0.66 -2.03 117.98 113.12 1a12 s PHE 91 Ca -0.01 1.58 0.00 0.00 -1.04 0.00 0.00 56.93 57.46 1a12 s PHE 91 Cb -0.01 0.33 0.00 0.00 -1.21 0.00 0.00 43.02 42.13 1a12 s PHE 91 CO -0.05 -0.46 0.00 0.41 -1.34 0.00 0.00 175.22 173.79 1a12 n GLY 92 N 1.98 0.77 3.68 1.99 0.00 -0.06 -0.45 105.19 113.09 1a12 n GLY 92 Ca -0.16 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.39 1a12 n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a12 n ASN 94 N 6.25 2.39 0.12 0.00 5.15 -1.26 -4.42 115.26 123.49 1a12 n ASN 94 Ca 0.16 -3.47 0.03 0.00 -0.60 0.00 0.00 54.58 50.69 1a12 n ASN 94 Cb 0.42 -0.52 0.42 0.00 -0.53 0.00 0.00 39.78 39.57 1a12 n ASN 94 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 1a12 h ASP 95 N 0.77 0.22 -0.12 1.20 3.32 -1.99 -2.49 116.42 117.32 1a12 h ASP 95 Ca 0.04 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1a12 h ASP 95 Cb 1.19 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1a12 h ASP 95 CO 0.11 0.34 0.00 -0.62 -1.72 0.00 0.00 179.24 177.35 1a12 n GLU 96 N -4.31 1.58 -0.46 3.56 -0.58 -1.26 -4.98 120.64 114.19 1a12 n GLU 96 Ca -0.01 -1.64 0.00 0.00 -0.42 0.00 0.00 57.16 55.09 1a12 n GLU 96 Cb 0.24 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 1a12 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a12 n GLY 97 N 0.92 0.74 0.27 0.62 0.00 -0.94 -3.56 105.19 103.26 1a12 n GLY 97 Ca 0.11 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1a12 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a12 h ALA 98 N 0.00 1.63 0.00 4.61 0.00 -1.77 -0.76 119.26 122.96 1a12 h ALA 98 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1a12 h ALA 98 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1a12 h ALA 98 CO 0.00 0.05 -0.07 -0.07 0.00 0.00 0.00 179.25 179.15 1a12 h LEU 99 N 0.00 0.00 1.97 0.00 3.38 -1.89 -3.39 115.31 115.37 1a12 h LEU 99 Ca -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 1a12 h LEU 99 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1a12 h LEU 99 CO 0.01 0.07 -0.36 0.61 0.09 0.00 0.00 178.44 178.86 1a12 n GLY 100 N 0.68 -0.15 3.46 0.83 0.00 -0.29 -4.73 105.19 104.99 1a12 n GLY 100 Ca 0.02 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 1a12 n GLY 100 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1a12 s ARG 101 N -4.65 1.12 -0.34 1.61 1.70 -1.20 -4.35 118.95 112.84 1a12 s ARG 101 Ca 0.00 -0.24 -0.28 0.00 -0.47 0.00 0.00 55.73 54.73 1a12 s ARG 101 Cb 0.00 0.52 0.02 0.00 -0.57 0.00 0.00 34.95 34.92 1a12 s ARG 101 CO 0.00 -0.46 1.05 0.34 -1.08 0.00 0.00 175.30 175.15 1a12 s ASP 102 N -2.27 6.86 -0.35 -2.89 2.15 -1.26 -4.91 116.67 114.00 1a12 s ASP 102 Ca -0.01 0.92 0.06 0.00 0.43 0.00 0.00 52.55 53.95 1a12 s ASP 102 Cb -0.01 -2.53 0.46 0.00 -0.30 0.00 0.00 42.92 40.55 1a12 s ASP 102 CO -0.06 -0.90 1.39 0.35 -0.17 0.00 0.00 175.17 175.78 1a12 n THR 103 N 5.95 2.71 -0.33 1.71 -2.24 -1.26 -4.73 114.28 116.09 1a12 n THR 103 Ca 0.11 -3.69 -0.02 0.00 -2.27 0.00 0.00 64.05 58.18 1a12 n THR 103 Cb 0.47 -0.95 0.10 0.00 -2.10 0.00 0.00 70.33 67.86 1a12 n THR 103 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1a12 h SER 104 N 1.88 1.01 -2.58 3.42 0.02 -1.99 -3.41 113.55 111.89 1a12 h SER 104 Ca 0.36 -0.02 -0.53 0.00 -0.84 0.00 0.00 61.79 60.76 1a12 h SER 104 Cb 1.39 -0.24 0.02 0.00 0.14 0.00 0.00 62.40 63.71 1a12 h SER 104 CO 0.80 0.71 1.08 -0.69 -1.14 0.00 0.00 176.83 177.59 1a12 s VAL 105 N -6.11 2.95 0.05 2.27 1.01 -1.26 -4.92 120.40 114.39 1a12 s VAL 105 Ca -0.13 0.30 -0.36 0.00 0.00 0.00 0.00 61.98 61.79 1a12 s VAL 105 Cb 0.17 -3.19 -0.15 0.00 0.00 0.00 0.00 36.38 33.20 1a12 s VAL 105 CO 0.80 -0.01 1.49 -0.62 0.00 0.00 0.00 175.10 176.77 1a12 n GLU 106 N 6.15 1.49 -0.21 2.72 -0.58 -1.26 -1.56 120.64 127.39 1a12 n GLU 106 Ca 0.17 0.54 0.00 0.00 -0.42 0.00 0.00 57.16 57.45 1a12 n GLU 106 Cb 0.40 -2.24 0.00 0.00 -0.57 0.00 0.00 31.44 29.04 1a12 n GLU 106 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a12 n GLY 107 N 3.11 2.15 0.18 0.62 0.00 -1.26 -4.90 105.19 105.09 1a12 n GLY 107 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 1a12 n GLY 107 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1a12 h SER 108 N 0.00 0.00 0.43 1.61 4.64 -1.57 -1.21 113.55 117.44 1a12 h SER 108 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a12 h SER 108 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1a12 h SER 108 CO 0.00 0.00 -0.29 -1.84 -0.87 0.00 0.00 176.83 173.83 1a12 n GLU 109 N -2.45 0.43 0.00 4.77 0.00 -1.26 -3.83 120.64 118.30 1a12 n GLU 109 Ca 0.00 -0.21 0.13 0.00 0.00 0.00 0.00 57.16 57.08 1a12 n GLU 109 Cb 0.16 -1.50 0.45 0.00 0.00 0.00 0.00 31.44 30.56 1a12 n GLU 109 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1a12 n MET 110 N -1.10 0.79 -4.19 3.44 2.81 -0.46 -0.88 117.12 117.54 1a12 n MET 110 Ca 0.10 -0.41 -0.13 0.00 -1.81 0.00 0.00 57.70 55.44 1a12 n MET 110 Cb 0.33 -1.49 -0.10 0.00 -0.71 0.00 0.00 33.22 31.24 1a12 n MET 110 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1a12 s VAL 111 N -2.49 0.92 0.28 2.03 -7.23 -1.25 -0.60 120.40 112.06 1a12 s VAL 111 Ca 0.26 -1.79 -0.30 0.00 -1.81 0.00 0.00 61.98 58.34 1a12 s VAL 111 Cb 0.19 -1.53 -0.13 0.00 0.56 0.00 0.00 36.38 35.47 1a12 s VAL 111 CO 0.50 -0.67 1.28 -2.65 -0.31 0.00 0.00 175.10 173.25 1a12 n PRO 112 N 0.26 1.90 -4.07 4.82 -0.02 -1.26 -4.67 135.00 131.96 1a12 n PRO 112 Ca -0.14 0.67 -0.09 0.00 -2.02 0.00 0.00 63.50 61.92 1a12 n PRO 112 Cb 0.59 -2.24 -0.10 0.00 -0.02 0.00 0.00 33.50 31.72 1a12 n PRO 112 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1a12 s GLY 113 N -0.09 0.47 0.06 -1.23 0.00 -0.86 -4.92 107.32 100.74 1a12 s GLY 113 Ca 0.62 -1.00 -0.21 0.00 0.00 0.00 0.00 44.72 44.13 1a12 s GLY 113 CO 0.56 -1.09 0.62 1.25 0.00 0.00 0.00 173.10 174.45 1a12 s LYS 114 N -2.87 4.32 -0.04 2.90 2.20 -1.26 -1.16 119.74 123.82 1a12 s LYS 114 Ca -0.01 0.82 -0.27 0.00 -0.36 0.00 0.00 55.97 56.15 1a12 s LYS 114 Cb -0.00 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 1a12 s LYS 114 CO -0.05 0.51 0.88 0.08 -0.36 0.00 0.00 175.35 176.40 1a12 s VAL 115 N -0.70 4.92 -0.76 4.02 1.01 0.41 -4.87 120.40 124.43 1a12 s VAL 115 Ca 0.31 1.82 -0.26 0.00 0.00 0.00 0.00 61.98 63.85 1a12 s VAL 115 Cb -0.20 -4.21 0.04 0.00 0.00 0.00 0.00 36.38 32.01 1a12 s VAL 115 CO 0.20 0.17 1.26 -0.70 0.00 0.00 0.00 175.10 176.03 1a12 s GLU 116 N 1.09 3.22 -0.20 2.72 2.56 -1.26 -4.62 118.70 122.20 1a12 s GLU 116 Ca 0.46 -0.39 -0.04 0.00 0.00 0.00 0.00 54.97 54.99 1a12 s GLU 116 Cb -0.19 -4.29 0.10 0.00 2.00 0.00 0.00 34.13 31.75 1a12 s GLU 116 CO 0.23 -2.12 0.30 -1.17 -0.56 0.00 0.00 175.26 171.95 1a12 s LEU 117 N 5.46 -0.39 -1.34 2.70 2.96 -1.26 -4.89 118.68 121.93 1a12 s LEU 117 Ca 0.35 0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 54.37 1a12 s LEU 117 Cb -0.08 0.80 -0.07 0.00 0.50 0.00 0.00 46.19 47.34 1a12 s LEU 117 CO 0.12 -0.29 2.93 0.00 -1.32 0.00 0.00 176.35 177.79 1a12 n GLN 118 N 5.35 3.64 -4.03 1.98 6.02 -1.26 -4.82 117.38 124.25 1a12 n GLN 118 Ca -0.05 -2.31 -0.12 0.00 -0.01 0.00 0.00 57.00 54.51 1a12 n GLN 118 Cb 0.50 -2.65 -0.11 0.00 1.02 0.00 0.00 30.24 28.99 1a12 n GLN 118 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1a12 s GLU 119 N 1.26 0.45 -0.68 -1.09 0.41 -1.26 -5.10 118.70 112.69 1a12 s GLU 119 Ca 0.66 -0.71 -0.22 0.00 -0.41 0.00 0.00 54.97 54.30 1a12 s GLU 119 Cb 0.20 -0.15 0.08 0.00 -1.78 0.00 0.00 34.13 32.49 1a12 s GLU 119 CO -0.07 0.01 0.95 0.21 -0.49 0.00 0.00 175.26 175.88 1a12 s LYS 120 N -1.55 3.16 0.17 1.61 2.20 -1.26 -4.76 119.74 119.30 1a12 s LYS 120 Ca -0.12 -1.02 -0.30 0.00 -0.36 0.00 0.00 55.97 54.17 1a12 s LYS 120 Cb -0.10 -4.32 -0.07 0.00 -1.51 0.00 0.00 37.83 31.83 1a12 s LYS 120 CO -0.00 -1.77 0.95 0.08 -0.36 0.00 0.00 175.35 174.24 1a12 s VAL 121 N 3.70 4.31 -0.20 4.02 1.01 -0.80 -0.88 120.40 131.57 1a12 s VAL 121 Ca 0.22 2.08 0.05 0.00 0.00 0.00 0.00 61.98 64.32 1a12 s VAL 121 Cb -0.16 -4.33 -0.05 0.00 0.00 0.00 0.00 36.38 31.84 1a12 s VAL 121 CO 0.07 0.40 0.19 1.33 0.00 0.00 0.00 175.10 177.09 1a12 n VAL 122 N 2.21 0.00 -3.53 2.92 0.24 0.52 -4.38 118.33 116.31 1a12 n VAL 122 Ca 0.00 -0.37 -0.18 0.00 -2.04 0.00 0.00 64.34 61.76 1a12 n VAL 122 Cb 0.48 0.95 -0.06 0.00 -1.47 0.00 0.00 33.84 33.74 1a12 n VAL 122 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1a12 s GLN 123 N -1.52 1.03 0.24 7.34 0.74 -1.22 -4.39 119.66 121.88 1a12 s GLN 123 Ca 0.01 0.33 0.05 0.00 0.05 0.00 0.00 55.36 55.80 1a12 s GLN 123 Cb 0.04 0.49 -0.05 0.00 1.10 0.00 0.00 33.01 34.58 1a12 s GLN 123 CO 0.19 -0.30 -0.04 0.14 -0.55 0.00 0.00 175.29 174.73 1a12 s VAL 124 N -1.04 1.28 0.05 1.34 -7.23 -1.26 -0.62 120.40 112.92 1a12 s VAL 124 Ca -0.10 -2.08 -0.14 0.00 -1.81 0.00 0.00 61.98 57.86 1a12 s VAL 124 Cb -0.01 -2.31 0.02 0.00 0.56 0.00 0.00 36.38 34.65 1a12 s VAL 124 CO 0.09 -0.38 0.31 -0.94 -0.31 0.00 0.00 175.10 173.87 1a12 s SER 125 N -3.34 -0.13 -0.08 4.85 1.04 -0.52 -4.91 113.70 110.61 1a12 s SER 125 Ca 0.27 -0.20 -0.07 0.00 0.48 0.00 0.00 55.95 56.44 1a12 s SER 125 Cb 0.04 0.36 0.03 0.00 0.10 0.00 0.00 66.02 66.55 1a12 s SER 125 CO 0.09 -0.62 0.22 0.00 0.98 0.00 0.00 173.24 173.90 1a12 s ALA 126 N -2.60 -0.52 0.00 5.32 0.00 -1.26 -1.13 121.76 121.57 1a12 s ALA 126 Ca -0.05 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.60 1a12 s ALA 126 Cb -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.70 1a12 s ALA 126 CO -0.04 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1a12 n GLY 127 N 3.27 5.16 0.24 0.00 0.00 0.13 -4.49 105.19 109.50 1a12 n GLY 127 Ca -0.16 -1.88 -0.12 0.00 0.00 0.00 0.00 46.02 43.87 1a12 n GLY 127 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1a12 h ASP 128 N 0.00 0.84 0.00 1.61 3.58 -0.70 -0.04 116.42 121.72 1a12 h ASP 128 Ca 0.00 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1a12 h ASP 128 Cb 0.00 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.82 1a12 h ASP 128 CO 0.00 1.06 0.00 -1.20 -2.88 0.00 0.00 179.24 176.22 1a12 n SER 129 N -4.25 0.30 -4.21 2.28 7.64 -1.26 -4.37 113.62 109.75 1a12 n SER 129 Ca -0.02 -1.13 -0.13 0.00 1.01 0.00 0.00 58.87 58.60 1a12 n SER 129 Cb 0.42 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.52 1a12 n SER 129 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1a12 s HIS 130 N -0.13 1.09 0.01 1.43 -3.43 -1.22 -1.34 115.29 111.70 1a12 s HIS 130 Ca 0.00 -0.83 0.01 0.00 -0.80 0.00 0.00 55.06 53.45 1a12 s HIS 130 Cb 0.00 -0.58 -0.01 0.00 -1.43 0.00 0.00 32.58 30.56 1a12 s HIS 130 CO 0.00 -0.02 -0.04 0.99 -2.00 0.00 0.00 174.74 173.66 1a12 s THR 131 N -3.44 0.31 0.10 -5.38 2.01 -0.75 -0.69 115.64 107.80 1a12 s THR 131 Ca 0.14 -0.42 0.06 0.00 0.31 0.00 0.00 61.69 61.78 1a12 s THR 131 Cb 0.04 -0.32 -0.03 0.00 0.01 0.00 0.00 72.50 72.20 1a12 s THR 131 CO -0.02 -0.08 -0.17 0.00 -0.69 0.00 0.00 174.62 173.67 1a12 s ALA 132 N -0.50 1.50 0.01 7.40 0.00 -0.28 -1.32 121.76 128.56 1a12 s ALA 132 Ca -0.03 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.77 1a12 s ALA 132 Cb -0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 1a12 s ALA 132 CO -0.00 0.22 -0.04 0.00 0.00 0.00 0.00 175.76 175.94 1a12 s ALA 133 N -1.47 0.28 -0.17 0.00 0.00 0.35 -1.43 121.76 119.32 1a12 s ALA 133 Ca 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 51.96 51.72 1a12 s ALA 133 Cb -0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 1a12 s ALA 133 CO 0.03 0.03 -0.07 -1.17 0.00 0.00 0.00 175.76 174.58 1a12 s LEU 134 N -0.40 2.93 0.80 0.00 2.96 0.21 0.06 118.68 125.23 1a12 s LEU 134 Ca -0.02 -0.30 -0.12 0.00 -0.22 0.00 0.00 54.13 53.48 1a12 s LEU 134 Cb -0.03 -1.70 0.07 0.00 0.50 0.00 0.00 46.19 45.03 1a12 s LEU 134 CO -0.00 0.10 1.16 0.42 -1.32 0.00 0.00 176.35 176.71 1a12 s THR 135 N 0.76 2.27 0.16 3.68 -4.23 0.68 -0.35 115.64 118.61 1a12 s THR 135 Ca -0.03 0.09 0.34 0.00 -1.18 0.00 0.00 61.69 60.91 1a12 s THR 135 Cb -0.15 -3.07 0.37 0.00 1.34 0.00 0.00 72.50 70.99 1a12 s THR 135 CO 0.02 -0.12 2.03 -2.24 -0.54 0.00 0.00 174.62 173.77 1a12 h ASP 136 N -1.02 0.00 -0.68 3.99 2.03 -1.34 -1.52 116.42 117.88 1a12 h ASP 136 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 1a12 h ASP 136 Cb 1.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.82 1a12 h ASP 136 CO 0.65 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.96 1a12 n ASP 137 N -2.84 4.05 0.00 4.15 5.75 -1.26 -0.69 116.55 125.70 1a12 n ASP 137 Ca -0.01 -2.10 0.00 0.00 -0.01 0.00 0.00 54.79 52.67 1a12 n ASP 137 Cb 0.18 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 1a12 n ASP 137 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a12 n GLY 138 N 1.43 0.79 3.76 6.12 0.00 -0.57 -4.69 105.19 112.03 1a12 n GLY 138 Ca 0.24 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 1a12 n GLY 138 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a12 s ARG 139 N -1.80 3.09 -0.13 1.61 0.52 -1.26 -0.92 118.95 120.05 1a12 s ARG 139 Ca 0.00 -0.40 -0.07 0.00 -0.52 0.00 0.00 55.73 54.74 1a12 s ARG 139 Cb 0.00 -2.89 -0.04 0.00 0.52 0.00 0.00 34.95 32.54 1a12 s ARG 139 CO 0.00 0.69 0.11 0.08 0.02 0.00 0.00 175.30 176.20 1a12 s VAL 140 N -1.05 5.23 -0.08 3.52 1.01 -0.96 -0.23 120.40 127.83 1a12 s VAL 140 Ca 0.18 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.28 1a12 s VAL 140 Cb -0.12 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1a12 s VAL 140 CO 0.08 0.57 -0.10 -0.36 0.00 0.00 0.00 175.10 175.29 1a12 s PHE 141 N -0.62 2.86 0.04 5.22 0.40 0.11 -0.34 117.98 125.64 1a12 s PHE 141 Ca 0.12 -0.18 0.04 0.00 -0.60 0.00 0.00 56.93 56.32 1a12 s PHE 141 Cb -0.12 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.65 1a12 s PHE 141 CO 0.02 0.16 -0.12 -1.17 0.70 0.00 0.00 175.22 174.81 1a12 s LEU 142 N -0.46 2.18 0.18 -0.37 2.96 0.25 -0.50 118.68 122.93 1a12 s LEU 142 Ca 0.06 -0.46 -0.12 0.00 -0.22 0.00 0.00 54.13 53.39 1a12 s LEU 142 Cb -0.12 -0.48 0.00 0.00 0.50 0.00 0.00 46.19 46.09 1a12 s LEU 142 CO 0.02 -0.02 0.38 -1.66 -1.32 0.00 0.00 176.35 173.75 1a12 s TRP 143 N -0.92 0.22 0.00 5.38 -2.14 -0.43 -0.78 118.94 120.26 1a12 s TRP 143 Ca -0.01 -0.58 0.00 0.00 2.66 0.00 0.00 56.10 58.17 1a12 s TRP 143 Cb -0.08 0.11 0.00 0.00 -3.10 0.00 0.00 33.47 30.40 1a12 s TRP 143 CO 0.01 -0.80 0.00 0.41 -2.66 0.00 0.00 176.95 173.91 1a12 n GLY 144 N -0.27 1.02 3.69 3.67 0.00 0.69 -1.81 105.19 112.18 1a12 n GLY 144 Ca -0.08 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 1a12 n GLY 144 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a12 s SER 145 N -4.00 -0.36 0.09 1.61 1.04 -0.45 -1.32 113.70 110.32 1a12 s SER 145 Ca 0.00 -0.41 0.05 0.00 0.48 0.00 0.00 55.95 56.07 1a12 s SER 145 Cb 0.00 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.76 1a12 s SER 145 CO 0.00 -1.21 0.01 -0.36 0.98 0.00 0.00 173.24 172.66 1a12 s PHE 146 N -3.86 3.01 0.17 5.02 0.08 0.27 -3.44 117.98 119.22 1a12 s PHE 146 Ca 0.08 -0.02 0.06 0.00 0.12 0.00 0.00 56.93 57.17 1a12 s PHE 146 Cb -0.04 -1.54 -0.04 0.00 -0.57 0.00 0.00 43.02 40.83 1a12 s PHE 146 CO -0.00 0.49 -0.13 1.03 -0.10 0.00 0.00 175.22 176.51 1a12 s ARG 147 N -2.35 1.17 0.00 0.44 0.52 -1.26 -0.93 118.95 116.54 1a12 s ARG 147 Ca 0.26 -1.48 0.00 0.00 -0.52 0.00 0.00 55.73 53.99 1a12 s ARG 147 Cb -0.12 -0.88 0.00 0.00 0.52 0.00 0.00 34.95 34.47 1a12 s ARG 147 CO 0.19 0.14 0.00 -0.40 0.02 0.00 0.00 175.30 175.25 1a12 n ASP 148 N -0.18 1.62 0.28 0.23 5.75 -0.40 -4.68 116.55 119.18 1a12 n ASP 148 Ca -0.10 -0.80 0.15 0.00 -0.01 0.00 0.00 54.79 54.03 1a12 n ASP 148 Cb 0.60 0.00 0.83 0.00 -1.03 0.00 0.00 41.12 41.52 1a12 n ASP 148 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 1a12 h ASN 149 N 0.00 0.00 -0.03 -1.12 2.35 -2.01 -2.73 115.58 112.04 1a12 h ASN 149 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1a12 h ASN 149 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1a12 h ASN 149 CO 0.00 0.07 0.00 0.59 -1.65 0.00 0.00 177.43 176.44 1a12 n ASN 150 N -3.56 2.94 0.00 5.81 3.02 -1.26 -5.06 115.26 117.15 1a12 n ASN 150 Ca -0.02 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 1a12 n ASN 150 Cb 0.19 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 1a12 n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a12 n GLY 151 N 1.31 0.87 3.75 7.41 0.00 -1.03 -5.08 105.19 112.41 1a12 n GLY 151 Ca 0.14 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 1a12 n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a12 s VAL 152 N -1.28 2.21 -0.06 1.61 1.01 -1.26 -1.27 120.40 121.35 1a12 s VAL 152 Ca 0.00 0.18 0.11 0.00 0.00 0.00 0.00 61.98 62.27 1a12 s VAL 152 Cb 0.00 -3.11 -0.17 0.00 0.00 0.00 0.00 36.38 33.10 1a12 s VAL 152 CO 0.00 0.03 0.26 2.30 0.00 0.00 0.00 175.10 177.69 1a12 n ILE 153 N 2.21 0.00 0.00 2.22 -5.35 -0.10 -4.85 119.36 113.49 1a12 n ILE 153 Ca 0.08 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 1a12 n ILE 153 Cb 0.38 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 1a12 n ILE 153 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a12 n GLY 154 N 1.81 0.56 0.82 3.28 0.00 -1.19 -0.40 105.19 110.07 1a12 n GLY 154 Ca -0.02 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.87 1a12 n GLY 154 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1a12 n LEU 155 N 0.00 0.00 -0.01 0.99 7.94 -0.79 -0.57 117.00 124.56 1a12 n LEU 155 Ca 0.00 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 54.95 1a12 n LEU 155 Cb 0.00 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 1a12 n LEU 155 CO 0.00 -0.37 -0.01 0.18 -1.11 0.00 0.00 177.39 176.07 1a12 n LEU 156 N -2.11 0.55 -4.00 -1.96 4.77 -1.26 -4.79 117.00 108.20 1a12 n LEU 156 Ca 0.00 -0.51 -0.14 0.00 -0.03 0.00 0.00 56.01 55.33 1a12 n LEU 156 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1a12 n LEU 156 CO 0.00 0.13 -0.39 -1.61 -1.33 0.00 0.00 177.39 174.19 1a12 s GLU 157 N -2.01 0.42 0.08 3.23 2.02 -1.26 -4.53 118.70 116.65 1a12 s GLU 157 Ca 0.04 -0.46 -0.37 0.00 0.02 0.00 0.00 54.97 54.21 1a12 s GLU 157 Cb 0.08 -0.27 -0.17 0.00 0.10 0.00 0.00 34.13 33.87 1a12 s GLU 157 CO 0.44 0.06 1.33 -2.30 0.02 0.00 0.00 175.26 174.81 1a12 n PRO 158 N 2.19 1.10 -1.03 0.39 -0.02 -1.26 -2.40 135.00 133.96 1a12 n PRO 158 Ca -0.18 0.40 -0.01 0.00 -2.02 0.00 0.00 63.50 61.68 1a12 n PRO 158 Cb 0.56 -2.03 -0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1a12 n PRO 158 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1a12 n MET 159 N 2.48 -1.42 -4.04 -0.52 2.81 0.46 -4.88 117.12 112.00 1a12 n MET 159 Ca 0.18 0.41 -0.32 0.00 -1.81 0.00 0.00 57.70 56.17 1a12 n MET 159 Cb 0.19 -4.50 -0.15 0.00 -0.71 0.00 0.00 33.22 28.04 1a12 n MET 159 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1a12 s LYS 160 N -1.59 2.08 0.81 0.03 1.02 -1.01 -4.81 119.74 116.28 1a12 s LYS 160 Ca 0.00 -1.47 -0.12 0.00 0.02 0.00 0.00 55.97 54.40 1a12 s LYS 160 Cb 0.00 -3.00 0.08 0.00 -0.52 0.00 0.00 37.83 34.40 1a12 s LYS 160 CO 0.00 -0.67 1.16 -1.59 -0.92 0.00 0.00 175.35 173.34 1a12 s LYS 161 N 1.07 1.93 -0.06 1.68 -2.85 -1.26 -1.89 119.74 118.36 1a12 s LYS 161 Ca -0.04 0.18 0.01 0.00 -1.00 0.00 0.00 55.97 55.12 1a12 s LYS 161 Cb -0.20 -1.94 0.02 0.00 -2.06 0.00 0.00 37.83 33.65 1a12 s LYS 161 CO -0.05 -1.63 -0.08 0.45 0.10 0.00 0.00 175.35 174.13 1a12 s SER 162 N -4.47 1.42 0.01 0.03 0.15 -0.43 -4.94 113.70 105.47 1a12 s SER 162 Ca 0.62 -0.22 0.27 0.00 0.70 0.00 0.00 55.95 57.32 1a12 s SER 162 Cb -0.12 -0.65 0.82 0.00 -1.71 0.00 0.00 66.02 64.37 1a12 s SER 162 CO 0.50 -0.02 1.64 0.23 1.20 0.00 0.00 173.24 176.80 1a12 n MET 163 N 4.00 0.03 -4.34 5.44 0.00 -1.26 -0.23 117.12 120.76 1a12 n MET 163 Ca -0.23 0.01 -0.19 0.00 0.00 0.00 0.00 57.70 57.29 1a12 n MET 163 Cb 0.51 -1.52 -0.10 0.00 0.00 0.00 0.00 33.22 32.11 1a12 n MET 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1a12 s VAL 164 N -3.01 1.73 0.20 2.03 -7.23 -1.26 -3.26 120.40 109.60 1a12 s VAL 164 Ca 0.12 -2.11 -0.32 0.00 -1.81 0.00 0.00 61.98 57.86 1a12 s VAL 164 Cb 0.18 -1.96 -0.12 0.00 0.56 0.00 0.00 36.38 35.04 1a12 s VAL 164 CO 0.62 -0.51 1.69 -2.65 -0.31 0.00 0.00 175.10 173.94 1a12 n PRO 165 N -0.15 2.64 -5.01 4.82 -0.02 -1.26 -4.68 135.00 131.34 1a12 n PRO 165 Ca -0.10 0.95 -0.32 0.00 -2.02 0.00 0.00 63.50 62.01 1a12 n PRO 165 Cb 0.59 -2.78 -0.15 0.00 -0.02 0.00 0.00 33.50 31.14 1a12 n PRO 165 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1a12 s VAL 166 N 1.10 2.58 0.29 -1.45 1.01 0.04 -4.89 120.40 119.07 1a12 s VAL 166 Ca 0.76 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 61.60 1a12 s VAL 166 Cb -0.54 -2.02 -0.09 0.00 0.00 0.00 0.00 36.38 33.72 1a12 s VAL 166 CO 0.34 0.55 1.00 -1.58 0.00 0.00 0.00 175.10 175.41 1a12 s GLN 167 N 0.11 4.64 -0.35 2.72 0.74 -1.26 -0.58 119.66 125.68 1a12 s GLN 167 Ca -0.09 1.56 0.01 0.00 0.05 0.00 0.00 55.36 56.89 1a12 s GLN 167 Cb -0.15 -3.06 0.11 0.00 1.10 0.00 0.00 33.01 31.01 1a12 s GLN 167 CO 0.06 0.29 0.12 0.08 -0.55 0.00 0.00 175.29 175.28 1a12 s VAL 168 N -1.33 1.46 -0.18 1.34 1.01 0.54 -4.93 120.40 118.30 1a12 s VAL 168 Ca 0.46 -1.98 -0.04 0.00 0.00 0.00 0.00 61.98 60.42 1a12 s VAL 168 Cb -0.26 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1a12 s VAL 168 CO 0.33 -0.70 -0.02 -1.58 0.00 0.00 0.00 175.10 173.12 1a12 s GLN 169 N 1.09 3.61 0.66 2.72 0.74 -1.26 -2.28 119.66 124.94 1a12 s GLN 169 Ca 0.12 -0.54 0.02 0.00 0.05 0.00 0.00 55.36 55.01 1a12 s GLN 169 Cb -0.20 -3.00 0.13 0.00 1.10 0.00 0.00 33.01 31.05 1a12 s GLN 169 CO -0.14 0.08 0.91 1.28 -0.55 0.00 0.00 175.29 176.87 1a12 n LEU 170 N 4.01 0.00 0.01 3.68 4.77 -1.26 -4.98 117.00 123.23 1a12 n LEU 170 Ca -0.17 -2.07 0.11 0.00 -0.03 0.00 0.00 56.01 53.85 1a12 n LEU 170 Cb 0.52 -0.57 0.49 0.00 -2.33 0.00 0.00 43.42 41.53 1a12 n LEU 170 CO 0.32 -0.91 0.87 -0.90 -1.33 0.00 0.00 177.39 175.44 1a12 n ASP 171 N -2.80 0.10 -4.17 -1.43 5.68 -1.26 -4.69 116.55 107.98 1a12 n ASP 171 Ca 0.16 0.51 -0.20 0.00 -0.50 0.00 0.00 54.79 54.76 1a12 n ASP 171 Cb 0.56 -0.54 -0.13 0.00 -1.14 0.00 0.00 41.12 39.87 1a12 n ASP 171 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1a12 s VAL 172 N -3.02 1.18 0.46 2.12 1.01 -1.26 -5.12 120.40 115.76 1a12 s VAL 172 Ca 0.11 -1.14 -0.24 0.00 0.00 0.00 0.00 61.98 60.71 1a12 s VAL 172 Cb 0.15 -1.08 -0.08 0.00 0.00 0.00 0.00 36.38 35.36 1a12 s VAL 172 CO 0.44 -0.06 1.23 -2.65 0.00 0.00 0.00 175.10 174.06 1a12 n PRO 173 N 1.65 1.72 -3.54 2.72 -0.02 -1.26 -4.85 135.00 131.42 1a12 n PRO 173 Ca -0.19 0.62 -0.37 0.00 -2.02 0.00 0.00 63.50 61.54 1a12 n PRO 173 Cb 0.54 -2.36 -0.07 0.00 -0.02 0.00 0.00 33.50 31.59 1a12 n PRO 173 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1a12 s VAL 174 N -1.26 5.25 -0.15 -1.45 1.01 -0.10 -0.83 120.40 122.87 1a12 s VAL 174 Ca 0.65 0.62 0.17 0.00 0.00 0.00 0.00 61.98 63.42 1a12 s VAL 174 Cb -0.48 -3.64 -0.25 0.00 0.00 0.00 0.00 36.38 32.00 1a12 s VAL 174 CO 0.55 0.45 0.43 1.33 0.00 0.00 0.00 175.10 177.86 1a12 n VAL 175 N 2.98 0.00 -3.76 2.92 0.24 -0.19 -4.32 118.33 116.19 1a12 n VAL 175 Ca -0.13 -0.34 -0.13 0.00 -2.04 0.00 0.00 64.34 61.70 1a12 n VAL 175 Cb 0.52 0.26 -0.11 0.00 -1.47 0.00 0.00 33.84 33.04 1a12 n VAL 175 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1a12 s LYS 176 N -3.08 0.39 0.04 7.34 2.20 -1.11 -4.62 119.74 120.90 1a12 s LYS 176 Ca -0.04 0.45 0.06 0.00 -0.36 0.00 0.00 55.97 56.08 1a12 s LYS 176 Cb 0.11 0.19 -0.03 0.00 -1.51 0.00 0.00 37.83 36.59 1a12 s LYS 176 CO 0.70 -0.05 -0.15 0.14 -0.36 0.00 0.00 175.35 175.63 1a12 s VAL 177 N 0.15 3.02 -0.07 4.02 -7.23 -1.26 -1.02 120.40 118.01 1a12 s VAL 177 Ca -0.00 -1.10 -0.10 0.00 -1.81 0.00 0.00 61.98 58.97 1a12 s VAL 177 Cb -0.02 -2.29 0.02 0.00 0.56 0.00 0.00 36.38 34.64 1a12 s VAL 177 CO 0.01 0.34 0.26 0.00 -0.31 0.00 0.00 175.10 175.39 1a12 s ALA 178 N -0.96 -0.65 0.09 1.32 0.00 -0.63 -4.79 121.76 116.13 1a12 s ALA 178 Ca 0.16 0.54 0.09 0.00 0.00 0.00 0.00 51.96 52.75 1a12 s ALA 178 Cb -0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1a12 s ALA 178 CO 0.06 -0.17 -0.24 -1.12 0.00 0.00 0.00 175.76 174.29 1a12 s SER 179 N -0.41 2.91 0.00 0.00 0.01 -1.26 -0.96 113.70 113.98 1a12 s SER 179 Ca -0.05 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1a12 s SER 179 Cb -0.03 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.98 1a12 s SER 179 CO 0.01 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.44 1a12 n GLY 180 N 1.34 2.95 0.13 3.44 0.00 -0.07 -4.70 105.19 108.28 1a12 n GLY 180 Ca -0.18 -2.11 -0.08 0.00 0.00 0.00 0.00 46.02 43.66 1a12 n GLY 180 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1a12 h ASN 181 N 0.00 0.05 -0.35 1.61 4.21 -0.92 -3.36 115.58 116.82 1a12 h ASN 181 Ca 0.00 0.04 -0.23 0.00 1.21 0.00 0.00 56.30 57.32 1a12 h ASN 181 Cb 0.00 0.04 -0.39 0.00 -1.12 0.00 0.00 38.32 36.85 1a12 h ASN 181 CO 0.00 0.06 -1.09 0.47 -1.29 0.00 0.00 177.43 175.59 1a12 n ASP 182 N -5.06 1.41 -3.79 5.81 8.00 -1.26 -0.12 116.55 121.53 1a12 n ASP 182 Ca -0.01 -2.02 -0.13 0.00 0.71 0.00 0.00 54.79 53.34 1a12 n ASP 182 Cb 0.11 -0.42 -0.09 0.00 -0.02 0.00 0.00 41.12 40.69 1a12 n ASP 182 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1a12 s HIS 183 N -3.13 -0.12 -0.05 1.24 -3.43 -1.26 0.05 115.29 108.59 1a12 s HIS 183 Ca 0.28 0.17 0.06 0.00 -0.80 0.00 0.00 55.06 54.77 1a12 s HIS 183 Cb 0.33 0.06 -0.01 0.00 -1.43 0.00 0.00 32.58 31.53 1a12 s HIS 183 CO -0.06 -0.35 -0.23 -1.17 -2.00 0.00 0.00 174.74 170.93 1a12 s LEU 184 N -1.28 2.03 -0.04 5.38 2.96 -0.18 -0.90 118.68 126.65 1a12 s LEU 184 Ca -0.13 -0.47 0.06 0.00 -0.22 0.00 0.00 54.13 53.36 1a12 s LEU 184 Cb -0.06 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.35 1a12 s LEU 184 CO 0.03 0.22 -0.22 0.68 -1.32 0.00 0.00 176.35 175.75 1a12 s VAL 185 N -0.11 1.78 -0.12 1.68 -7.23 -0.14 -1.59 120.40 114.67 1a12 s VAL 185 Ca -0.04 -0.92 0.01 0.00 -1.81 0.00 0.00 61.98 59.22 1a12 s VAL 185 Cb -0.13 -1.51 0.02 0.00 0.56 0.00 0.00 36.38 35.32 1a12 s VAL 185 CO 0.03 0.50 -0.16 -0.04 -0.31 0.00 0.00 175.10 175.13 1a12 s MET 186 N -0.16 2.34 -0.31 4.82 1.00 0.66 -1.61 119.30 126.04 1a12 s MET 186 Ca -0.01 -0.60 -0.15 0.00 0.00 0.00 0.00 55.69 54.93 1a12 s MET 186 Cb -0.12 -2.01 -0.02 0.00 0.00 0.00 0.00 34.83 32.68 1a12 s MET 186 CO 0.02 -0.10 0.36 -1.17 0.00 0.00 0.00 175.02 174.14 1a12 s LEU 187 N 1.08 4.23 0.79 -0.03 2.96 -0.19 -0.47 118.68 127.05 1a12 s LEU 187 Ca -0.04 0.01 -0.12 0.00 -0.22 0.00 0.00 54.13 53.77 1a12 s LEU 187 Cb -0.14 -2.38 0.07 0.00 0.50 0.00 0.00 46.19 44.24 1a12 s LEU 187 CO -0.04 -0.26 1.12 0.42 -1.32 0.00 0.00 176.35 176.27 1a12 s THR 188 N 2.05 2.74 0.55 3.68 -4.23 0.43 -1.03 115.64 119.84 1a12 s THR 188 Ca 0.13 0.24 0.25 0.00 -1.18 0.00 0.00 61.69 61.14 1a12 s THR 188 Cb -0.16 -3.12 0.37 0.00 1.34 0.00 0.00 72.50 70.92 1a12 s THR 188 CO 0.11 -0.31 2.04 0.00 -0.54 0.00 0.00 174.62 175.91 1a12 h ALA 189 N -1.03 2.20 -0.04 3.99 0.00 -1.30 -0.83 119.26 122.25 1a12 h ALA 189 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1a12 h ALA 189 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1a12 h ALA 189 CO 0.63 -0.47 0.00 -0.25 0.00 0.00 0.00 179.25 179.16 1a12 n ASP 190 N -4.16 1.40 0.00 0.00 8.00 -1.26 -4.92 116.55 115.60 1a12 n ASP 190 Ca 0.06 -1.50 0.00 0.00 0.71 0.00 0.00 54.79 54.06 1a12 n ASP 190 Cb 0.46 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 1a12 n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a12 n GLY 191 N 1.15 0.86 3.84 0.44 0.00 -0.32 -4.82 105.19 106.34 1a12 n GLY 191 Ca 0.19 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1a12 n GLY 191 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a12 s ASP 192 N -2.04 6.86 -0.30 1.61 1.01 -1.26 -0.35 116.67 122.20 1a12 s ASP 192 Ca 0.00 1.12 -0.08 0.00 0.71 0.00 0.00 52.55 54.30 1a12 s ASP 192 Cb 0.00 -2.30 0.00 0.00 1.01 0.00 0.00 42.92 41.63 1a12 s ASP 192 CO 0.00 0.11 0.12 -0.22 0.21 0.00 0.00 175.17 175.38 1a12 s LEU 193 N -1.91 3.97 -0.15 1.23 2.96 -1.26 -0.43 118.68 123.08 1a12 s LEU 193 Ca 0.38 -0.60 -0.05 0.00 -0.22 0.00 0.00 54.13 53.63 1a12 s LEU 193 Cb -0.15 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 1a12 s LEU 193 CO 0.19 -0.19 0.01 -0.31 -1.32 0.00 0.00 176.35 174.74 1a12 s TYR 194 N 1.56 3.15 0.14 5.38 1.51 0.37 -0.67 117.35 128.79 1a12 s TYR 194 Ca 0.04 -0.05 0.08 0.00 -1.01 0.00 0.00 57.07 56.13 1a12 s TYR 194 Cb -0.17 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 1a12 s TYR 194 CO 0.04 0.14 -0.17 0.95 -1.11 0.00 0.00 175.55 175.40 1a12 s THR 195 N 0.13 1.65 0.08 -0.71 -4.23 -0.42 -0.25 115.64 111.89 1a12 s THR 195 Ca 0.02 -1.79 -0.26 0.00 -1.18 0.00 0.00 61.69 58.48 1a12 s THR 195 Cb -0.13 -1.69 0.08 0.00 1.34 0.00 0.00 72.50 72.10 1a12 s THR 195 CO 0.02 -0.30 0.67 -1.48 -0.54 0.00 0.00 174.62 172.99 1a12 s LEU 196 N -2.46 -0.55 0.00 4.79 0.05 -0.62 -2.81 118.68 117.08 1a12 s LEU 196 Ca 0.12 0.16 0.00 0.00 0.05 0.00 0.00 54.13 54.46 1a12 s LEU 196 Cb -0.06 2.47 0.00 0.00 -2.05 0.00 0.00 46.19 46.55 1a12 s LEU 196 CO 0.05 -0.82 0.00 0.61 -0.55 0.00 0.00 176.35 175.64 1a12 n GLY 197 N -0.05 0.16 3.73 -3.48 0.00 -0.32 -1.01 105.19 104.22 1a12 n GLY 197 Ca -0.16 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 1a12 n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a12 n GLY 199 N 2.32 2.15 0.31 0.00 0.00 -1.26 -4.46 105.19 104.25 1a12 n GLY 199 Ca 0.04 -0.22 0.14 0.00 0.00 0.00 0.00 46.02 45.98 1a12 n GLY 199 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1a12 h GLU 200 N 0.00 0.00 -0.33 1.61 4.81 -1.98 -1.03 114.58 117.65 1a12 h GLU 200 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1a12 h GLU 200 Cb 0.74 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1a12 h GLU 200 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.32 1a12 n GLN 201 N -4.07 2.24 -0.53 1.92 1.13 -1.26 -4.96 117.38 111.85 1a12 n GLN 201 Ca -0.00 -2.04 0.00 0.00 -1.94 0.00 0.00 57.00 53.02 1a12 n GLN 201 Cb 0.22 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.17 1a12 n GLN 201 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a12 n GLY 202 N 1.08 0.74 0.02 1.08 0.00 -0.39 -2.76 105.19 104.96 1a12 n GLY 202 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 1a12 n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a12 n GLN 203 N -2.42 0.03 0.14 1.61 0.00 -1.26 -1.20 117.38 114.27 1a12 n GLN 203 Ca 0.00 0.24 0.10 0.00 0.00 0.00 0.00 57.00 57.35 1a12 n GLN 203 Cb 0.00 -1.56 0.05 0.00 0.00 0.00 0.00 30.24 28.72 1a12 n GLN 203 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1a12 h LEU 204 N 0.00 0.00 2.79 2.61 3.38 -1.84 -3.42 115.31 118.83 1a12 h LEU 204 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 1a12 h LEU 204 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1a12 h LEU 204 CO 0.00 0.07 -0.54 0.61 0.09 0.00 0.00 178.44 178.67 1a12 n GLY 205 N 1.17 -0.50 0.00 0.83 0.00 -0.34 -4.78 105.19 101.56 1a12 n GLY 205 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1a12 n GLY 205 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1a12 n ARG 206 N -3.11 0.59 -3.08 1.61 1.85 -1.21 -4.39 116.66 108.91 1a12 n ARG 206 Ca -0.23 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.40 1a12 n ARG 206 Cb 0.68 -0.05 -0.04 0.00 -1.05 0.00 0.00 32.46 32.01 1a12 n ARG 206 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 1a12 n VAL 207 N 0.00 1.28 -0.12 8.89 0.24 -1.26 -4.92 118.33 122.43 1a12 n VAL 207 Ca 0.00 -5.03 -0.05 0.00 -2.04 0.00 0.00 64.34 57.23 1a12 n VAL 207 Cb 0.00 -0.80 0.02 0.00 -1.47 0.00 0.00 33.84 31.58 1a12 n VAL 207 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1a12 h PRO 208 N 3.02 0.02 -0.59 7.34 0.13 -1.93 0.25 132.00 140.25 1a12 h PRO 208 Ca 0.11 -0.00 0.23 0.00 -0.87 0.00 0.00 66.00 65.47 1a12 h PRO 208 Cb 0.76 -0.01 -0.11 0.00 0.13 0.00 0.00 31.00 31.78 1a12 h PRO 208 CO 0.64 0.02 0.24 -0.85 -0.23 0.00 0.00 178.00 177.82 1a12 n GLU 209 N -5.28 -0.04 0.11 0.86 0.28 -1.26 0.46 120.64 115.77 1a12 n GLU 209 Ca 0.02 0.82 0.13 0.00 -0.16 0.00 0.00 57.16 57.98 1a12 n GLU 209 Cb 0.22 -1.44 0.40 0.00 1.43 0.00 0.00 31.44 32.05 1a12 n GLU 209 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1a12 n LEU 210 N -4.42 0.83 -0.17 -1.84 7.94 0.87 -3.47 117.00 116.73 1a12 n LEU 210 Ca 0.20 0.57 0.04 0.00 -1.11 0.00 0.00 56.01 55.71 1a12 n LEU 210 Cb 0.68 -0.31 -0.01 0.00 0.53 0.00 0.00 43.42 44.31 1a12 n LEU 210 CO -0.01 -0.18 0.18 0.49 -1.11 0.00 0.00 177.39 176.76 1a12 n PHE 211 N -2.27 0.00 -1.87 1.96 3.72 0.17 -4.01 117.46 115.17 1a12 n PHE 211 Ca 0.06 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.07 1a12 n PHE 211 Cb 0.43 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.94 1a12 n PHE 211 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a12 s ALA 212 N -1.27 2.08 0.00 4.37 0.00 -0.46 -3.93 121.76 122.55 1a12 s ALA 212 Ca 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1a12 s ALA 212 Cb 0.07 -4.28 0.00 0.00 0.00 0.00 0.00 23.12 18.90 1a12 s ALA 212 CO 0.22 -3.93 0.00 -1.71 0.00 0.00 0.00 175.76 170.35 1a12 n ASN 213 N 13.50 0.00 0.00 0.00 5.15 -1.26 -4.90 115.26 127.75 1a12 n ASN 213 Ca 0.26 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.24 1a12 n ASN 213 Cb 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 1a12 n ASN 213 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1a12 n ARG 214 N 0.00 0.00 -3.42 1.20 1.74 -1.25 -4.92 116.66 110.00 1a12 n ARG 214 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1a12 n ARG 214 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 1a12 n ARG 214 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1a12 s GLY 215 N 0.00 2.48 0.50 -0.13 0.00 -1.26 -4.22 107.32 104.70 1a12 s GLY 215 Ca 0.00 -0.17 0.24 0.00 0.00 0.00 0.00 44.72 44.79 1a12 s GLY 215 CO 0.00 0.15 1.94 -1.33 0.00 0.00 0.00 173.10 173.86 1a12 h GLY 216 N 4.06 0.22 2.00 0.20 0.00 -1.92 -0.14 103.07 107.50 1a12 h GLY 216 Ca -0.50 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 1a12 h GLY 216 CO 0.64 0.01 -0.01 3.21 0.00 0.00 0.00 176.54 180.40 1a12 h ARG 217 N 0.12 0.00 0.00 4.80 3.08 -1.93 -0.69 114.38 119.77 1a12 h ARG 217 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1a12 h ARG 217 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1a12 h ARG 217 CO -0.04 0.01 0.00 1.96 -1.07 0.00 0.00 179.97 180.82 1a12 h GLN 218 N 0.00 0.00 -0.24 0.04 4.20 -1.38 -3.17 115.11 114.56 1a12 h GLN 218 Ca -0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 1a12 h GLN 218 Cb 0.17 0.00 -0.37 0.00 0.30 0.00 0.00 27.48 27.59 1a12 h GLN 218 CO 0.00 0.00 -1.01 0.41 -0.67 0.00 0.00 178.83 177.56 1a12 n GLY 219 N 0.14 2.13 0.37 3.46 0.00 -0.30 -4.94 105.19 106.05 1a12 n GLY 219 Ca 0.02 -1.13 0.11 0.00 0.00 0.00 0.00 46.02 45.03 1a12 n GLY 219 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a12 h LEU 220 N 1.78 0.69 -1.06 0.99 5.85 -1.44 -0.95 115.31 121.17 1a12 h LEU 220 Ca -0.12 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1a12 h LEU 220 Cb 1.53 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.44 1a12 h LEU 220 CO 0.18 0.35 0.12 1.05 -0.34 0.00 0.00 178.44 179.79 1a12 h GLU 221 N 0.73 0.79 0.00 1.25 9.09 -1.89 -0.86 114.58 123.69 1a12 h GLU 221 Ca 0.46 -0.16 -0.02 0.00 0.05 0.00 0.00 59.36 59.68 1a12 h GLU 221 Cb 0.70 -0.12 -0.00 0.00 -1.65 0.00 0.00 28.75 27.68 1a12 h GLU 221 CO -0.22 0.72 -0.12 -0.09 0.05 0.00 0.00 179.01 179.36 1a12 h ARG 222 N 0.76 0.00 0.00 1.06 2.43 -1.54 -2.39 114.38 114.70 1a12 h ARG 222 Ca 0.17 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.10 1a12 h ARG 222 Cb 0.29 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 1a12 h ARG 222 CO -0.00 0.12 -1.27 -0.07 -1.51 0.00 0.00 179.97 177.23 1a12 h LEU 223 N 0.00 0.00 0.00 3.80 3.38 -1.01 -3.34 115.31 118.13 1a12 h LEU 223 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1a12 h LEU 223 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1a12 h LEU 223 CO 0.02 0.97 -0.38 0.18 0.09 0.00 0.00 178.44 179.32 1a12 n LEU 224 N -3.21 0.38 -4.77 1.67 4.77 -0.80 -1.17 117.00 113.87 1a12 n LEU 224 Ca -0.07 0.13 -0.39 0.00 -0.03 0.00 0.00 56.01 55.65 1a12 n LEU 224 Cb 0.97 -0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 41.70 1a12 n LEU 224 CO 0.46 0.09 0.28 -0.69 -1.33 0.00 0.00 177.39 176.20 1a12 s VAL 225 N -3.00 4.91 -0.14 4.08 1.01 -0.96 -4.59 120.40 121.69 1a12 s VAL 225 Ca 0.12 1.22 -0.29 0.00 0.00 0.00 0.00 61.98 63.02 1a12 s VAL 225 Cb 0.18 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1a12 s VAL 225 CO 0.66 0.43 1.72 -2.84 0.00 0.00 0.00 175.10 175.07 1a12 s PRO 226 N -0.29 3.89 0.10 2.72 0.02 -1.26 -4.69 135.00 135.50 1a12 s PRO 226 Ca 0.30 1.96 0.04 0.00 0.02 0.00 0.00 61.00 63.32 1a12 s PRO 226 Cb -0.18 -4.06 -0.04 0.00 0.02 0.00 0.00 34.50 30.24 1a12 s PRO 226 CO 0.17 -1.19 -0.10 0.15 -0.33 0.00 0.00 177.00 175.69 1a12 s LYS 227 N 4.61 0.87 0.10 5.54 1.02 -1.12 -4.90 119.74 125.85 1a12 s LYS 227 Ca 0.76 -1.18 -0.28 0.00 0.02 0.00 0.00 55.97 55.29 1a12 s LYS 227 Cb -0.30 -0.55 -0.06 0.00 -0.52 0.00 0.00 37.83 36.39 1a12 s LYS 227 CO 0.31 0.08 0.88 0.00 -0.92 0.00 0.00 175.35 175.71 1a12 s VAL 229 N -0.19 4.20 -0.33 0.00 1.01 0.15 -4.97 120.40 120.27 1a12 s VAL 229 Ca 0.43 1.45 -0.05 0.00 0.00 0.00 0.00 61.98 63.81 1a12 s VAL 229 Cb -0.23 -3.95 0.04 0.00 0.00 0.00 0.00 36.38 32.25 1a12 s VAL 229 CO 0.28 -0.14 0.08 -0.04 0.00 0.00 0.00 175.10 175.27 1a12 s MET 230 N 3.59 2.55 -0.19 2.72 -1.94 -1.26 -4.70 119.30 120.08 1a12 s MET 230 Ca 0.57 -1.22 0.01 0.00 -1.71 0.00 0.00 55.69 53.33 1a12 s MET 230 Cb -0.23 -3.38 0.03 0.00 2.01 0.00 0.00 34.83 33.26 1a12 s MET 230 CO 0.16 -0.66 -0.15 -0.51 -0.01 0.00 0.00 175.02 173.85 1a12 s LEU 231 N 1.35 2.19 0.38 -0.03 1.43 -1.26 -5.04 118.68 117.70 1a12 s LEU 231 Ca -0.02 -0.75 -0.28 0.00 -1.03 0.00 0.00 54.13 52.04 1a12 s LEU 231 Cb -0.20 -1.34 -0.11 0.00 0.03 0.00 0.00 46.19 44.58 1a12 s LEU 231 CO 0.01 -0.08 1.49 -0.54 0.23 0.00 0.00 176.35 177.47 1a12 s LYS 232 N 1.35 4.11 -0.13 1.70 -0.14 -1.26 -0.40 119.74 124.97 1a12 s LYS 232 Ca 0.02 2.57 0.06 0.00 -1.36 0.00 0.00 55.97 57.26 1a12 s LYS 232 Cb -0.15 -2.97 0.38 0.00 -1.68 0.00 0.00 37.83 33.41 1a12 s LYS 232 CO -0.10 -0.53 1.14 0.45 -0.76 0.00 0.00 175.35 175.55 1a12 n SER 233 N 0.49 3.26 -1.70 2.83 2.88 -1.21 -4.71 113.62 115.46 1a12 n SER 233 Ca 0.01 -2.49 0.00 0.00 -1.33 0.00 0.00 58.87 55.06 1a12 n SER 233 Cb 0.39 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 1a12 n SER 233 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1a12 n ARG 234 N 0.21 -1.84 -3.94 -1.46 1.74 -1.26 -3.92 116.66 106.19 1a12 n ARG 234 Ca 0.15 1.30 -0.25 0.00 -0.77 0.00 0.00 57.85 58.28 1a12 n ARG 234 Cb 0.75 -1.74 -0.02 0.00 -1.02 0.00 0.00 32.46 30.43 1a12 n ARG 234 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a12 n GLY 235 N 1.56 -0.23 3.73 -0.13 0.00 -1.26 -4.75 105.19 104.12 1a12 n GLY 235 Ca 0.00 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1a12 n GLY 235 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a12 s SER 236 N -4.37 4.54 0.00 1.61 0.01 -1.25 -5.10 113.70 109.14 1a12 s SER 236 Ca 0.00 2.60 0.00 0.00 1.31 0.00 0.00 55.95 59.86 1a12 s SER 236 Cb -0.00 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1a12 s SER 236 CO 0.88 -2.04 0.00 0.54 0.41 0.00 0.00 173.24 173.03 1a12 n ARG 237 N -2.00 3.63 0.00 12.44 1.74 -1.26 -5.01 116.66 126.20 1a12 n ARG 237 Ca 0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 1a12 n ARG 237 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 1a12 n ARG 237 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a12 n GLY 238 N 5.00 -0.17 3.23 -0.13 0.00 -1.26 -4.49 105.19 107.36 1a12 n GLY 238 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1a12 n GLY 238 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1a12 s HIS 239 N 0.00 1.23 0.36 1.61 -3.43 -1.26 -3.35 115.29 110.45 1a12 s HIS 239 Ca 0.00 -0.70 -0.27 0.00 -0.80 0.00 0.00 55.06 53.29 1a12 s HIS 239 Cb 0.00 -0.64 -0.09 0.00 -1.43 0.00 0.00 32.58 30.42 1a12 s HIS 239 CO 0.00 0.07 1.26 0.08 -2.00 0.00 0.00 174.74 174.15 1a12 s VAL 240 N -2.88 2.84 0.24 -5.38 1.01 0.47 -4.83 120.40 111.87 1a12 s VAL 240 Ca 0.12 0.80 0.10 0.00 0.00 0.00 0.00 61.98 63.00 1a12 s VAL 240 Cb -0.00 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 1a12 s VAL 240 CO 0.01 0.15 -0.18 -0.13 0.00 0.00 0.00 175.10 174.94 1a12 s ARG 241 N -1.99 1.53 0.08 2.72 0.52 -1.26 -4.72 118.95 115.83 1a12 s ARG 241 Ca 0.52 -1.67 0.10 0.00 -0.52 0.00 0.00 55.73 54.16 1a12 s ARG 241 Cb -0.37 -1.53 -0.03 0.00 0.52 0.00 0.00 34.95 33.54 1a12 s ARG 241 CO 0.48 0.28 -0.26 -0.06 0.02 0.00 0.00 175.30 175.76 1a12 s PHE 242 N -2.59 2.32 -0.32 -0.53 0.08 0.53 -1.87 117.98 115.61 1a12 s PHE 242 Ca 0.26 -0.39 0.22 0.00 0.12 0.00 0.00 56.93 57.14 1a12 s PHE 242 Cb -0.04 -1.33 -0.19 0.00 -0.57 0.00 0.00 43.02 40.89 1a12 s PHE 242 CO 0.11 0.23 0.74 0.00 -0.10 0.00 0.00 175.22 176.20 1a12 n GLN 243 N 1.36 0.48 -3.46 0.44 10.64 0.46 -4.41 117.38 122.91 1a12 n GLN 243 Ca -0.17 -0.08 -0.11 0.00 -1.83 0.00 0.00 57.00 54.81 1a12 n GLN 243 Cb 0.52 -1.58 -0.02 0.00 -0.86 0.00 0.00 30.24 28.30 1a12 n GLN 243 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1a12 s ASP 244 N -4.32 -0.49 -0.16 2.61 -1.08 -1.16 -5.01 116.67 107.06 1a12 s ASP 244 Ca -0.02 -0.01 -0.18 0.00 -0.52 0.00 0.00 52.55 51.82 1a12 s ASP 244 Cb 0.14 0.52 0.05 0.00 -1.46 0.00 0.00 42.92 42.17 1a12 s ASP 244 CO 0.86 -0.85 0.49 0.00 0.52 0.00 0.00 175.17 176.19 1a12 s ALA 245 N -3.53 -1.21 0.08 3.66 0.00 -1.26 -1.22 121.76 118.28 1a12 s ALA 245 Ca 0.03 1.29 0.01 0.00 0.00 0.00 0.00 51.96 53.28 1a12 s ALA 245 Cb -0.01 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1a12 s ALA 245 CO -0.11 -0.24 -0.05 -0.06 0.00 0.00 0.00 175.76 175.29 1a12 s PHE 246 N 0.02 0.75 0.08 0.00 0.40 0.40 -4.92 117.98 114.71 1a12 s PHE 246 Ca -0.02 -0.96 0.09 0.00 -0.60 0.00 0.00 56.93 55.44 1a12 s PHE 246 Cb -0.03 -0.47 -0.03 0.00 0.51 0.00 0.00 43.02 43.00 1a12 s PHE 246 CO 0.02 -0.23 -0.24 0.00 0.70 0.00 0.00 175.22 175.47 1a12 n GLY 248 N 1.36 2.24 0.12 0.00 0.00 -0.52 -4.06 105.19 104.33 1a12 n GLY 248 Ca -0.18 -2.14 -0.08 0.00 0.00 0.00 0.00 46.02 43.62 1a12 n GLY 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a12 h ALA 249 N 0.57 0.23 0.00 4.61 0.00 -1.32 -3.25 119.26 120.10 1a12 h ALA 249 Ca -0.00 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1a12 h ALA 249 Cb 0.02 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 1a12 h ALA 249 CO 0.01 -0.41 -0.42 0.66 0.00 0.00 0.00 179.25 179.09 1a12 n TYR 250 N -5.14 0.00 -3.99 0.00 4.01 -1.26 -0.43 117.16 110.36 1a12 n TYR 250 Ca -0.01 -0.82 -0.09 0.00 -0.16 0.00 0.00 57.90 56.82 1a12 n TYR 250 Cb 0.13 -0.15 -0.06 0.00 -0.31 0.00 0.00 39.34 38.95 1a12 n TYR 250 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 1a12 s PHE 251 N -1.83 0.37 -0.00 -0.72 -0.71 -1.23 -1.14 117.98 112.72 1a12 s PHE 251 Ca 0.27 -0.72 0.00 0.00 -1.04 0.00 0.00 56.93 55.44 1a12 s PHE 251 Cb 0.26 0.15 0.00 0.00 -1.21 0.00 0.00 43.02 42.22 1a12 s PHE 251 CO -0.04 -0.95 -0.00 0.99 -1.34 0.00 0.00 175.22 173.88 1a12 s THR 252 N -4.01 0.04 -0.09 -4.49 2.01 0.51 -1.44 115.64 108.17 1a12 s THR 252 Ca 0.22 -0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.24 1a12 s THR 252 Cb 0.00 -0.05 -0.01 0.00 0.01 0.00 0.00 72.50 72.46 1a12 s THR 252 CO 0.07 0.01 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.44 1a12 s PHE 253 N 0.01 2.58 -0.03 4.92 0.08 -0.19 -1.60 117.98 123.74 1a12 s PHE 253 Ca 0.00 -0.80 0.02 0.00 0.12 0.00 0.00 56.93 56.27 1a12 s PHE 253 Cb -0.00 -1.70 0.01 0.00 -0.57 0.00 0.00 43.02 40.76 1a12 s PHE 253 CO -0.00 -0.27 -0.08 0.00 -0.10 0.00 0.00 175.22 174.76 1a12 s ALA 254 N 0.11 0.86 -0.26 5.36 0.00 0.97 -0.46 121.76 128.34 1a12 s ALA 254 Ca -0.10 -0.27 -0.08 0.00 0.00 0.00 0.00 51.96 51.50 1a12 s ALA 254 Cb -0.16 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 1a12 s ALA 254 CO 0.06 0.10 0.09 0.42 0.00 0.00 0.00 175.76 176.43 1a12 s ILE 255 N 0.40 4.42 1.06 0.00 1.01 -0.35 -0.17 121.20 127.57 1a12 s ILE 255 Ca -0.06 -0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.27 1a12 s ILE 255 Cb -0.11 -3.10 0.22 0.00 0.01 0.00 0.00 42.46 39.49 1a12 s ILE 255 CO 0.01 0.30 1.09 -0.94 0.00 0.00 0.00 174.94 175.39 1a12 s SER 256 N 1.63 2.09 0.51 3.58 1.04 -0.19 -0.40 113.70 121.97 1a12 s SER 256 Ca 0.06 1.12 0.17 0.00 0.48 0.00 0.00 55.95 57.78 1a12 s SER 256 Cb -0.15 -1.75 1.27 0.00 0.10 0.00 0.00 66.02 65.49 1a12 s SER 256 CO 0.05 -3.45 2.13 0.45 0.98 0.00 0.00 173.24 173.40 1a12 h HIS 257 N -2.11 0.00 0.00 5.02 3.86 -1.68 -0.18 115.15 120.06 1a12 h HIS 257 Ca -0.55 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.66 1a12 h HIS 257 Cb 1.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.80 1a12 h HIS 257 CO -0.05 0.03 -0.03 0.39 0.86 0.00 0.00 177.93 179.13 1a12 n GLU 258 N -4.46 0.10 -0.22 2.45 -0.58 -1.26 -4.91 120.64 111.77 1a12 n GLU 258 Ca -0.03 0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 1a12 n GLU 258 Cb 0.11 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 1a12 n GLU 258 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a12 n GLY 259 N 1.42 0.89 3.76 0.62 0.00 -0.08 -5.07 105.19 106.74 1a12 n GLY 259 Ca 0.06 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1a12 n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a12 s HIS 260 N -2.00 3.93 -0.27 1.61 3.76 -1.26 -4.78 115.29 116.29 1a12 s HIS 260 Ca 0.00 1.85 -0.16 0.00 -0.15 0.00 0.00 55.06 56.60 1a12 s HIS 260 Cb 0.00 -2.93 -0.03 0.00 1.11 0.00 0.00 32.58 30.72 1a12 s HIS 260 CO 0.00 0.44 0.40 0.08 -0.85 0.00 0.00 174.74 174.81 1a12 s VAL 261 N -1.24 5.15 -0.01 -0.90 1.01 -1.26 -1.02 120.40 122.13 1a12 s VAL 261 Ca 0.41 0.63 0.01 0.00 0.00 0.00 0.00 61.98 63.04 1a12 s VAL 261 Cb -0.24 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1a12 s VAL 261 CO 0.30 0.14 -0.01 -0.31 0.00 0.00 0.00 175.10 175.21 1a12 s TYR 262 N 2.12 3.05 0.04 5.22 1.51 0.76 -0.81 117.35 129.24 1a12 s TYR 262 Ca 0.16 0.07 0.01 0.00 -1.01 0.00 0.00 57.07 56.31 1a12 s TYR 262 Cb -0.16 -1.68 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 1a12 s TYR 262 CO 0.10 0.44 -0.06 0.20 -1.11 0.00 0.00 175.55 175.12 1a12 s GLY 263 N -1.41 0.45 -0.04 0.71 0.00 -0.45 -0.02 107.32 106.57 1a12 s GLY 263 Ca 0.18 -0.80 -0.18 0.00 0.00 0.00 0.00 44.72 43.92 1a12 s GLY 263 CO 0.08 -0.87 0.39 -0.11 0.00 0.00 0.00 173.10 172.59 1a12 s PHE 264 N -1.79 -0.30 0.00 1.90 -0.71 -0.63 -0.26 117.98 116.18 1a12 s PHE 264 Ca -0.08 0.54 0.00 0.00 -1.04 0.00 0.00 56.93 56.34 1a12 s PHE 264 Cb -0.07 0.16 0.00 0.00 -1.21 0.00 0.00 43.02 41.90 1a12 s PHE 264 CO -0.01 -0.41 0.00 0.41 -1.34 0.00 0.00 175.22 173.87 1a12 n GLY 265 N 1.43 0.39 3.76 1.99 0.00 0.36 -0.36 105.19 112.76 1a12 n GLY 265 Ca -0.20 -2.18 -0.40 0.00 0.00 0.00 0.00 46.02 43.23 1a12 n GLY 265 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1a12 s LEU 266 N 0.00 4.52 -0.24 0.99 2.96 -0.29 -1.25 118.68 125.37 1a12 s LEU 266 Ca 0.00 2.37 0.17 0.00 -0.22 0.00 0.00 54.13 56.45 1a12 s LEU 266 Cb 0.00 -3.63 0.42 0.00 0.50 0.00 0.00 46.19 43.48 1a12 s LEU 266 CO 0.00 -0.23 1.28 -0.24 -1.32 0.00 0.00 176.35 175.84 1a12 n SER 267 N 1.11 0.09 0.29 3.68 2.88 -1.26 -4.22 113.62 116.19 1a12 n SER 267 Ca -0.01 -2.10 0.19 0.00 -1.33 0.00 0.00 58.87 55.63 1a12 n SER 267 Cb 0.44 0.07 0.90 0.00 -0.75 0.00 0.00 64.21 64.87 1a12 n SER 267 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1a12 h ASN 268 N 1.59 0.00 -0.07 -3.46 -1.07 -1.85 -1.18 115.58 109.54 1a12 h ASN 268 Ca -0.31 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.04 1a12 h ASN 268 Cb 1.35 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.59 1a12 h ASN 268 CO -0.02 0.00 -0.17 -1.22 0.07 0.00 0.00 177.43 176.09 1a12 n TYR 269 N -3.00 0.22 -1.42 4.14 4.01 -1.26 -4.88 117.16 114.96 1a12 n TYR 269 Ca -0.01 -1.21 -0.12 0.00 -0.16 0.00 0.00 57.90 56.40 1a12 n TYR 269 Cb 0.19 -0.24 -0.05 0.00 -0.31 0.00 0.00 39.34 38.94 1a12 n TYR 269 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1a12 n HIS 270 N -1.20 -0.05 0.28 -0.72 8.25 -0.44 -3.52 115.22 117.82 1a12 n HIS 270 Ca 0.19 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.82 1a12 n HIS 270 Cb 0.73 -2.26 0.77 0.00 1.12 0.00 0.00 29.99 30.35 1a12 n HIS 270 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 1a12 h GLN 271 N 0.00 0.00 0.00 -0.41 -0.00 -1.81 -0.95 115.11 111.94 1a12 h GLN 271 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.40 1a12 h GLN 271 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.30 1a12 h GLN 271 CO 0.36 0.04 -0.08 1.28 -0.00 0.00 0.00 178.83 180.43 1a12 n LEU 272 N -3.19 0.67 0.00 0.06 4.77 -1.26 -4.49 117.00 113.56 1a12 n LEU 272 Ca -0.00 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1a12 n LEU 272 Cb 0.26 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1a12 n LEU 272 CO 0.27 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 1a12 n GLY 273 N 1.35 0.96 3.92 -0.72 0.00 -0.36 -4.90 105.19 105.44 1a12 n GLY 273 Ca 0.06 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 1a12 n GLY 273 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a12 s THR 274 N -2.00 5.26 0.25 2.61 -4.23 -1.26 -4.48 115.64 111.79 1a12 s THR 274 Ca 0.00 -0.36 -0.03 0.00 -1.18 0.00 0.00 61.69 60.11 1a12 s THR 274 Cb 0.00 -3.70 0.14 0.00 1.34 0.00 0.00 72.50 70.28 1a12 s THR 274 CO 0.00 -0.06 1.78 -0.65 -0.54 0.00 0.00 174.62 175.15 1a12 h PRO 275 N 2.39 0.91 -6.77 3.99 0.11 -1.95 -3.45 132.00 127.23 1a12 h PRO 275 Ca -0.47 -0.21 -0.49 0.00 0.11 0.00 0.00 66.00 64.94 1a12 h PRO 275 Cb 1.18 -0.13 0.04 0.00 0.11 0.00 0.00 31.00 32.21 1a12 h PRO 275 CO 0.71 0.83 -0.04 0.20 -0.21 0.00 0.00 178.00 179.49 1a12 s GLY 276 N -3.60 1.71 0.00 -0.55 0.00 -1.26 -5.05 107.32 98.57 1a12 s GLY 276 Ca -0.10 -2.13 0.06 0.00 0.00 0.00 0.00 44.72 42.55 1a12 s GLY 276 CO 0.82 -1.60 0.74 -1.30 0.00 0.00 0.00 173.10 171.76 1a12 n THR 277 N -2.42 0.09 -2.49 0.90 -2.24 -1.26 -4.61 114.28 102.25 1a12 n THR 277 Ca 0.17 -0.55 -0.35 0.00 -2.27 0.00 0.00 64.05 61.05 1a12 n THR 277 Cb 0.62 1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 69.89 1a12 n THR 277 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1a12 s GLU 278 N -0.58 3.80 0.38 -0.78 0.41 -1.26 -3.12 118.70 117.55 1a12 s GLU 278 Ca 0.08 1.44 -0.27 0.00 -0.41 0.00 0.00 54.97 55.81 1a12 s GLU 278 Cb 0.05 -2.17 -0.09 0.00 -1.78 0.00 0.00 34.13 30.14 1a12 s GLU 278 CO 0.08 -0.44 1.30 -1.12 -0.49 0.00 0.00 175.26 174.58 1a12 s SER 279 N -1.85 6.49 -0.36 -0.19 0.01 -1.26 -4.44 113.70 112.10 1a12 s SER 279 Ca 0.66 2.65 -0.08 0.00 1.31 0.00 0.00 55.95 60.50 1a12 s SER 279 Cb -0.19 -2.64 0.04 0.00 0.21 0.00 0.00 66.02 63.44 1a12 s SER 279 CO 0.23 -0.72 0.15 0.00 0.41 0.00 0.00 173.24 173.31 1a12 n PHE 281 N 4.87 0.27 -4.76 0.00 3.01 -1.26 -0.49 117.46 119.09 1a12 n PHE 281 Ca -0.12 0.08 -0.30 0.00 1.01 0.00 0.00 57.45 58.11 1a12 n PHE 281 Cb 0.45 -0.49 -0.14 0.00 -0.01 0.00 0.00 39.48 39.29 1a12 n PHE 281 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1a12 s ILE 282 N -3.07 2.50 0.17 4.37 -1.09 -1.26 -3.35 121.20 119.47 1a12 s ILE 282 Ca 0.10 -1.29 -0.33 0.00 -2.23 0.00 0.00 60.65 56.91 1a12 s ILE 282 Cb 0.16 -2.02 -0.12 0.00 -1.58 0.00 0.00 42.46 38.90 1a12 s ILE 282 CO 0.67 0.35 1.70 -2.65 -1.23 0.00 0.00 174.94 173.77 1a12 n PRO 283 N 1.64 2.54 -4.11 2.79 -0.02 -1.26 -4.73 135.00 131.84 1a12 n PRO 283 Ca -0.17 0.92 -0.35 0.00 -2.02 0.00 0.00 63.50 61.88 1a12 n PRO 283 Cb 0.52 -2.75 -0.09 0.00 -0.02 0.00 0.00 33.50 31.16 1a12 n PRO 283 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1a12 s GLN 284 N 1.41 3.64 -0.73 -0.52 -1.52 0.63 -4.89 119.66 117.70 1a12 s GLN 284 Ca 0.78 -0.35 -0.27 0.00 -1.95 0.00 0.00 55.36 53.58 1a12 s GLN 284 Cb -0.57 -3.08 0.02 0.00 -0.22 0.00 0.00 33.01 29.16 1a12 s GLN 284 CO 0.36 0.44 1.36 1.21 -0.25 0.00 0.00 175.29 178.41 1a12 s ASN 285 N -0.12 6.05 -0.56 5.90 3.84 -1.26 -1.34 114.94 127.44 1a12 s ASN 285 Ca 0.06 -0.36 -0.28 0.00 0.21 0.00 0.00 52.86 52.49 1a12 s ASN 285 Cb -0.12 -2.56 0.01 0.00 -0.55 0.00 0.00 41.25 38.03 1a12 s ASN 285 CO 0.01 -1.91 1.46 -0.76 -2.79 0.00 0.00 177.10 173.12 1a12 s LEU 286 N 6.17 3.39 0.17 3.21 1.43 0.01 -4.84 118.68 128.21 1a12 s LEU 286 Ca 0.39 0.30 0.22 0.00 -1.03 0.00 0.00 54.13 54.01 1a12 s LEU 286 Cb -0.08 -3.00 0.89 0.00 0.03 0.00 0.00 46.19 44.02 1a12 s LEU 286 CO 0.15 -1.77 1.68 0.35 0.23 0.00 0.00 176.35 176.99 1a12 n THR 287 N 6.89 0.76 0.36 5.49 -2.24 -1.26 -2.00 114.28 122.29 1a12 n THR 287 Ca 0.13 0.13 0.14 0.00 -2.27 0.00 0.00 64.05 62.18 1a12 n THR 287 Cb 0.49 -0.98 0.54 0.00 -2.10 0.00 0.00 70.33 68.29 1a12 n THR 287 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1a12 h SER 288 N 0.00 0.00 0.13 3.42 4.64 -1.89 -1.68 113.55 118.18 1a12 h SER 288 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a12 h SER 288 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1a12 h SER 288 CO 0.00 0.00 -0.75 0.49 -0.87 0.00 0.00 176.83 175.70 1a12 n PHE 289 N -2.59 0.00 -2.26 4.77 3.01 -0.85 -4.53 117.46 115.01 1a12 n PHE 289 Ca 0.02 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.05 1a12 n PHE 289 Cb 0.29 -0.07 -0.02 0.00 -0.01 0.00 0.00 39.48 39.67 1a12 n PHE 289 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1a12 s LYS 290 N -2.89 4.01 -0.29 -1.08 1.02 -0.63 -4.95 119.74 114.94 1a12 s LYS 290 Ca 0.11 1.65 -0.15 0.00 0.02 0.00 0.00 55.97 57.60 1a12 s LYS 290 Cb 0.17 -3.91 0.12 0.00 -0.52 0.00 0.00 37.83 33.69 1a12 s LYS 290 CO 0.76 -1.01 0.83 1.21 -0.92 0.00 0.00 175.35 176.21 1a12 s ASN 291 N 3.09 -0.78 0.66 2.83 3.84 -1.26 -5.05 114.94 118.28 1a12 s ASN 291 Ca 0.63 1.18 0.43 0.00 0.21 0.00 0.00 52.86 55.31 1a12 s ASN 291 Cb -0.23 1.54 2.38 0.00 -0.55 0.00 0.00 41.25 44.39 1a12 s ASN 291 CO 0.24 -0.18 2.36 0.28 -2.79 0.00 0.00 177.10 177.00 1a12 h SER 292 N 6.96 0.00 -0.15 -4.21 0.02 -2.03 -2.49 113.55 111.63 1a12 h SER 292 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1a12 h SER 292 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1a12 h SER 292 CO 0.15 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.19 1a12 n THR 293 N -3.14 0.27 -4.35 -2.27 -2.24 -1.26 -4.91 114.28 96.39 1a12 n THR 293 Ca -0.03 -0.64 -0.29 0.00 -2.27 0.00 0.00 64.05 60.83 1a12 n THR 293 Cb 0.08 1.11 -0.17 0.00 -2.10 0.00 0.00 70.33 69.26 1a12 n THR 293 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1a12 s LYS 294 N -1.27 2.21 -0.25 -0.78 1.02 -0.94 -5.04 119.74 114.68 1a12 s LYS 294 Ca 0.23 -0.55 -0.02 0.00 0.02 0.00 0.00 55.97 55.65 1a12 s LYS 294 Cb 0.15 -1.92 0.02 0.00 -0.52 0.00 0.00 37.83 35.56 1a12 s LYS 294 CO 0.21 -0.11 -0.04 0.45 -0.92 0.00 0.00 175.35 174.95 1a12 s SER 295 N 1.11 4.41 -0.09 2.83 0.15 -1.26 -4.65 113.70 116.20 1a12 s SER 295 Ca -0.04 -0.81 -0.27 0.00 0.70 0.00 0.00 55.95 55.53 1a12 s SER 295 Cb -0.14 -1.70 -0.02 0.00 -1.71 0.00 0.00 66.02 62.45 1a12 s SER 295 CO -0.04 -0.13 0.89 0.26 1.20 0.00 0.00 173.24 175.42 1a12 s TRP 296 N 1.36 3.54 0.00 3.44 0.52 -1.26 -0.82 118.94 125.71 1a12 s TRP 296 Ca 0.01 1.45 0.00 0.00 0.02 0.00 0.00 56.10 57.58 1a12 s TRP 296 Cb -0.16 -3.04 0.00 0.00 -1.15 0.00 0.00 33.47 29.12 1a12 s TRP 296 CO -0.04 -0.10 0.00 1.33 0.02 0.00 0.00 176.95 178.16 1a12 n VAL 297 N 4.26 0.00 -3.74 4.03 0.24 -0.58 -4.93 118.33 117.62 1a12 n VAL 297 Ca 0.05 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.34 61.97 1a12 n VAL 297 Cb 0.50 0.83 -0.11 0.00 -1.47 0.00 0.00 33.84 33.59 1a12 n VAL 297 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1a12 s GLY 298 N -0.88 -0.28 0.02 7.63 0.00 -1.05 -4.98 107.32 107.78 1a12 s GLY 298 Ca 0.00 1.14 0.01 0.00 0.00 0.00 0.00 44.72 45.87 1a12 s GLY 298 CO 0.00 1.06 -0.04 -1.36 0.00 0.00 0.00 173.10 172.76 1a12 s PHE 299 N 0.45 0.36 0.21 1.90 0.40 -1.26 -0.54 117.98 119.49 1a12 s PHE 299 Ca -0.02 -0.39 -0.16 0.00 -0.60 0.00 0.00 56.93 55.76 1a12 s PHE 299 Cb -0.04 -0.23 0.02 0.00 0.51 0.00 0.00 43.02 43.27 1a12 s PHE 299 CO -0.02 -0.11 0.50 -1.54 0.70 0.00 0.00 175.22 174.75 1a12 s SER 300 N -1.12 -0.19 -0.25 1.36 1.04 -0.13 -4.72 113.70 109.70 1a12 s SER 300 Ca -0.10 -0.63 -0.27 0.00 0.48 0.00 0.00 55.95 55.43 1a12 s SER 300 Cb -0.08 0.58 0.14 0.00 0.10 0.00 0.00 66.02 66.77 1a12 s SER 300 CO -0.00 -1.08 1.14 -0.83 0.98 0.00 0.00 173.24 173.44 1a12 s GLY 301 N -2.92 -0.06 0.00 7.32 0.00 -1.26 -1.61 107.32 108.80 1a12 s GLY 301 Ca 0.13 2.68 0.00 0.00 0.00 0.00 0.00 44.72 47.52 1a12 s GLY 301 CO 0.01 1.54 0.00 0.61 0.00 0.00 0.00 173.10 175.26 1a12 n GLY 302 N 1.47 1.47 0.12 0.20 0.00 -0.19 -2.62 105.19 105.65 1a12 n GLY 302 Ca -0.10 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 43.99 1a12 n GLY 302 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1a12 h GLN 303 N 0.00 -0.16 0.00 1.61 4.20 -1.67 -2.95 115.11 116.14 1a12 h GLN 303 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1a12 h GLN 303 Cb 0.00 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1a12 h GLN 303 CO 0.00 -0.11 -0.00 0.72 -0.67 0.00 0.00 178.83 178.77 1a12 n HIS 304 N -5.20 0.00 -3.85 2.96 8.25 -1.26 -4.74 115.22 111.39 1a12 n HIS 304 Ca -0.07 -0.40 -0.09 0.00 -0.26 0.00 0.00 57.72 56.91 1a12 n HIS 304 Cb 0.12 -0.04 -0.07 0.00 1.12 0.00 0.00 29.99 31.12 1a12 n HIS 304 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1a12 s HIS 305 N -0.81 0.11 -0.02 4.41 -3.43 -1.26 -0.95 115.29 113.35 1a12 s HIS 305 Ca 0.01 -0.47 0.04 0.00 -0.80 0.00 0.00 55.06 53.83 1a12 s HIS 305 Cb 0.00 -0.04 -0.01 0.00 -1.43 0.00 0.00 32.58 31.11 1a12 s HIS 305 CO 0.00 -0.51 -0.14 0.99 -2.00 0.00 0.00 174.74 173.07 1a12 s THR 306 N -3.47 1.14 -0.14 -5.38 2.01 -0.51 -1.02 115.64 108.28 1a12 s THR 306 Ca 0.02 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.42 1a12 s THR 306 Cb 0.03 -0.97 0.02 0.00 0.01 0.00 0.00 72.50 71.60 1a12 s THR 306 CO -0.09 0.33 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.35 1a12 s VAL 307 N -0.21 1.44 0.32 3.82 1.01 -0.63 -1.81 120.40 124.34 1a12 s VAL 307 Ca 0.03 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1a12 s VAL 307 Cb -0.07 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 1a12 s VAL 307 CO 0.00 0.44 0.10 0.00 0.00 0.00 0.00 175.10 175.64 1a12 s MET 309 N -3.88 0.64 0.39 0.00 0.23 0.30 -0.76 119.30 116.22 1a12 s MET 309 Ca 0.34 -0.24 0.06 0.00 -1.03 0.00 0.00 55.69 54.82 1a12 s MET 309 Cb 0.07 0.28 0.06 0.00 -1.53 0.00 0.00 34.83 33.70 1a12 s MET 309 CO 0.15 -0.17 0.48 -0.40 -2.03 0.00 0.00 175.02 173.04 1a12 n ASP 310 N 1.28 1.61 -0.25 -1.18 5.68 -0.48 -1.53 116.55 121.68 1a12 n ASP 310 Ca -0.22 -2.10 0.09 0.00 -0.50 0.00 0.00 54.79 52.07 1a12 n ASP 310 Cb 0.56 -0.22 0.45 0.00 -1.14 0.00 0.00 41.12 40.77 1a12 n ASP 310 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1a12 n SER 311 N -2.39 0.76 -0.51 -1.12 3.41 -0.00 -3.50 113.62 110.28 1a12 n SER 311 Ca 0.08 -1.57 0.07 0.00 -0.26 0.00 0.00 58.87 57.19 1a12 n SER 311 Cb 0.41 -0.05 0.19 0.00 -0.26 0.00 0.00 64.21 64.50 1a12 n SER 311 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1a12 n GLU 312 N -0.27 1.88 -0.88 4.33 1.02 -1.26 -4.97 120.64 120.49 1a12 n GLU 312 Ca 0.14 -2.81 0.00 0.00 -0.02 0.00 0.00 57.16 54.47 1a12 n GLU 312 Cb 0.18 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 1a12 n GLU 312 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a12 n GLY 313 N -1.09 0.47 3.61 0.62 0.00 -1.23 -4.90 105.19 102.67 1a12 n GLY 313 Ca 0.20 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 1a12 n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a12 s LYS 314 N -1.60 3.02 -0.01 1.61 1.02 -1.26 -0.98 119.74 121.53 1a12 s LYS 314 Ca 0.00 -0.49 0.04 0.00 0.02 0.00 0.00 55.97 55.54 1a12 s LYS 314 Cb 0.00 -2.73 -0.03 0.00 -0.52 0.00 0.00 37.83 34.55 1a12 s LYS 314 CO 0.00 0.60 -0.10 0.00 -0.92 0.00 0.00 175.35 174.93 1a12 s ALA 315 N -0.61 2.87 0.10 5.17 0.00 -1.26 -1.38 121.76 126.64 1a12 s ALA 315 Ca 0.10 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 51.06 1a12 s ALA 315 Cb -0.12 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 1a12 s ALA 315 CO 0.02 0.59 -0.10 0.71 0.00 0.00 0.00 175.76 176.98 1a12 s TYR 316 N -0.91 1.05 0.13 0.00 1.51 0.06 -1.12 117.35 118.07 1a12 s TYR 316 Ca 0.15 -0.67 0.01 0.00 -1.01 0.00 0.00 57.07 55.56 1a12 s TYR 316 Cb -0.11 -0.58 -0.04 0.00 -0.11 0.00 0.00 41.96 41.12 1a12 s TYR 316 CO 0.05 -0.01 -0.03 -1.54 -1.11 0.00 0.00 175.55 172.91 1a12 s SER 317 N -2.48 1.08 0.16 2.29 1.04 -0.22 -0.52 113.70 115.05 1a12 s SER 317 Ca 0.06 -1.08 -0.19 0.00 0.48 0.00 0.00 55.95 55.22 1a12 s SER 317 Cb -0.02 0.12 0.04 0.00 0.10 0.00 0.00 66.02 66.26 1a12 s SER 317 CO -0.00 -0.53 0.51 -1.48 0.98 0.00 0.00 173.24 172.72 1a12 s LEU 318 N -3.09 -0.01 0.00 2.42 2.34 -0.75 -0.91 118.68 118.68 1a12 s LEU 318 Ca 0.17 -0.30 0.00 0.00 0.06 0.00 0.00 54.13 54.07 1a12 s LEU 318 Cb 0.06 2.19 0.00 0.00 -0.56 0.00 0.00 46.19 47.88 1a12 s LEU 318 CO -0.01 -0.97 0.00 0.61 -1.06 0.00 0.00 176.35 174.92 1a12 n GLY 319 N -0.32 -0.58 3.76 -3.48 0.00 0.74 -1.43 105.19 103.88 1a12 n GLY 319 Ca -0.14 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 1a12 n GLY 319 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a12 s ARG 320 N 0.00 4.15 0.00 1.61 3.52 -0.13 -1.73 118.95 126.37 1a12 s ARG 320 Ca 0.00 2.52 0.22 0.00 -0.13 0.00 0.00 55.73 58.34 1a12 s ARG 320 Cb 0.00 -3.02 -0.15 0.00 -1.56 0.00 0.00 34.95 30.22 1a12 s ARG 320 CO 0.00 -0.55 0.86 0.00 -0.81 0.00 0.00 175.30 174.80 1a12 n ALA 321 N 1.55 3.93 -1.74 6.12 0.00 -1.26 -4.36 120.51 124.74 1a12 n ALA 321 Ca 0.05 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.55 1a12 n ALA 321 Cb 0.39 -0.83 -0.02 0.00 0.00 0.00 0.00 19.45 18.99 1a12 n ALA 321 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a12 n GLU 322 N -1.79 2.69 -1.05 0.00 1.02 -1.26 -2.05 120.64 118.20 1a12 n GLU 322 Ca 0.02 0.96 -0.02 0.00 -0.02 0.00 0.00 57.16 58.10 1a12 n GLU 322 Cb 0.41 -2.74 -0.01 0.00 -0.02 0.00 0.00 31.44 29.09 1a12 n GLU 322 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1a12 n TYR 323 N 2.11 0.00 -0.62 -0.32 4.01 -1.26 -3.53 117.16 117.55 1a12 n TYR 323 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1a12 n TYR 323 Cb 0.37 -1.08 0.00 0.00 -0.31 0.00 0.00 39.34 38.31 1a12 n TYR 323 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a12 n GLY 324 N -1.31 0.68 0.10 2.72 0.00 -0.87 -2.87 105.19 103.63 1a12 n GLY 324 Ca -0.02 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 45.95 1a12 n GLY 324 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1a12 n ARG 325 N -2.62 0.13 0.14 1.61 1.85 -1.23 -1.21 116.66 115.34 1a12 n ARG 325 Ca 0.00 0.43 0.12 0.00 -1.00 0.00 0.00 57.85 57.41 1a12 n ARG 325 Cb 0.00 -1.79 0.23 0.00 -1.05 0.00 0.00 32.46 29.86 1a12 n ARG 325 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 1a12 h LEU 326 N 0.00 0.00 1.42 2.89 3.38 -1.81 -3.41 115.31 117.78 1a12 h LEU 326 Ca 0.00 -0.03 -0.33 0.00 0.09 0.00 0.00 57.88 57.61 1a12 h LEU 326 Cb 0.25 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.92 1a12 h LEU 326 CO 0.00 0.02 -0.35 0.61 0.09 0.00 0.00 178.44 178.81 1a12 n GLY 327 N 1.22 0.79 0.88 0.83 0.00 -0.35 -4.68 105.19 103.89 1a12 n GLY 327 Ca 0.04 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 45.94 1a12 n GLY 327 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a12 n LEU 328 N -2.03 2.67 0.00 0.99 4.77 -1.13 -4.30 117.00 117.97 1a12 n LEU 328 Ca -0.17 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 54.74 1a12 n LEU 328 Cb 0.58 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1a12 n LEU 328 CO 0.23 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 1a12 n GLY 329 N 1.34 2.09 3.69 -0.72 0.00 0.82 -4.84 105.19 107.56 1a12 n GLY 329 Ca 0.17 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 1a12 n GLY 329 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a12 n GLU 330 N 1.02 1.60 -1.05 1.61 -0.58 -1.26 -2.79 120.64 119.18 1a12 n GLU 330 Ca 0.00 0.58 -0.02 0.00 -0.42 0.00 0.00 57.16 57.30 1a12 n GLU 330 Cb 0.00 -2.35 -0.01 0.00 -0.57 0.00 0.00 31.44 28.51 1a12 n GLU 330 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a12 n GLY 331 N 0.93 0.42 3.72 0.62 0.00 -1.26 -4.98 105.19 104.64 1a12 n GLY 331 Ca 0.09 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1a12 n GLY 331 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a12 n ALA 332 N 1.03 1.30 -2.54 4.61 0.00 -1.12 -5.02 120.51 118.77 1a12 n ALA 332 Ca -0.02 0.13 -0.25 0.00 0.00 0.00 0.00 53.44 53.30 1a12 n ALA 332 Cb 0.24 -2.30 -0.09 0.00 0.00 0.00 0.00 19.45 17.30 1a12 n ALA 332 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1a12 s GLU 333 N -2.77 1.96 0.23 0.00 2.02 -1.26 -4.84 118.70 114.04 1a12 s GLU 333 Ca 0.71 -1.84 -0.30 0.00 0.02 0.00 0.00 54.97 53.56 1a12 s GLU 333 Cb -0.43 -1.82 -0.15 0.00 0.10 0.00 0.00 34.13 31.82 1a12 s GLU 333 CO 0.50 0.13 0.94 -1.91 0.02 0.00 0.00 175.26 174.94 1a12 n GLU 334 N -0.88 0.95 -5.14 1.61 2.13 -1.26 -4.71 120.64 113.34 1a12 n GLU 334 Ca -0.05 0.33 -0.31 0.00 0.66 0.00 0.00 57.16 57.80 1a12 n GLU 334 Cb 0.63 -1.65 -0.15 0.00 0.27 0.00 0.00 31.44 30.53 1a12 n GLU 334 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1a12 s LYS 335 N -1.09 2.09 0.00 5.31 -0.14 -0.71 -4.95 119.74 120.25 1a12 s LYS 335 Ca 0.64 -0.94 0.02 0.00 -1.36 0.00 0.00 55.97 54.33 1a12 s LYS 335 Cb -0.81 -2.07 0.06 0.00 -1.68 0.00 0.00 37.83 33.32 1a12 s LYS 335 CO 0.57 0.56 0.95 -1.13 -0.76 0.00 0.00 175.35 175.54 1a12 n SER 336 N 2.23 1.99 -4.01 2.83 3.41 -1.26 -0.19 113.62 118.62 1a12 n SER 336 Ca -0.16 -1.81 -0.15 0.00 -0.26 0.00 0.00 58.87 56.49 1a12 n SER 336 Cb 0.51 -0.04 -0.13 0.00 -0.26 0.00 0.00 64.21 64.29 1a12 n SER 336 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1a12 s ILE 337 N -0.83 0.50 -0.13 -1.33 -4.36 -1.26 -4.18 121.20 109.61 1a12 s ILE 337 Ca 0.05 -0.62 -0.35 0.00 -0.26 0.00 0.00 60.65 59.47 1a12 s ILE 337 Cb 0.03 -0.49 -0.12 0.00 1.25 0.00 0.00 42.46 43.12 1a12 s ILE 337 CO 0.03 -0.10 1.87 -0.81 0.24 0.00 0.00 174.94 176.17 1a12 n PRO 338 N 2.28 1.99 -4.33 0.37 -0.04 -1.26 -4.62 135.00 129.40 1a12 n PRO 338 Ca -0.17 0.73 -0.34 0.00 -0.04 0.00 0.00 63.50 63.68 1a12 n PRO 338 Cb 0.57 -2.55 -0.15 0.00 -0.04 0.00 0.00 33.50 31.33 1a12 n PRO 338 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1a12 s THR 339 N 4.05 2.87 0.16 0.52 2.01 -0.09 -4.85 115.64 120.30 1a12 s THR 339 Ca 0.94 -0.69 -0.34 0.00 0.31 0.00 0.00 61.69 61.91 1a12 s THR 339 Cb -0.76 -2.24 -0.14 0.00 0.01 0.00 0.00 72.50 69.37 1a12 s THR 339 CO 0.54 0.49 1.59 -0.11 -0.69 0.00 0.00 174.62 176.44 1a12 n LEU 340 N 4.26 3.14 -4.42 4.42 7.94 -1.26 -1.06 117.00 130.02 1a12 n LEU 340 Ca -0.19 1.08 -0.44 0.00 -1.11 0.00 0.00 56.01 55.35 1a12 n LEU 340 Cb 0.51 -1.43 -0.03 0.00 0.53 0.00 0.00 43.42 43.00 1a12 n LEU 340 CO 0.29 -0.26 0.81 -0.63 -1.11 0.00 0.00 177.39 176.48 1a12 s ILE 341 N 0.95 4.81 0.36 1.96 1.01 -0.28 -4.90 121.20 125.12 1a12 s ILE 341 Ca 0.79 -1.47 0.09 0.00 0.00 0.00 0.00 60.65 60.06 1a12 s ILE 341 Cb -0.67 -4.69 0.12 0.00 0.01 0.00 0.00 42.46 37.23 1a12 s ILE 341 CO 0.38 -1.39 1.86 0.77 0.00 0.00 0.00 174.94 176.55 1a12 h SER 342 N 8.83 0.20 -0.25 3.58 4.64 -1.89 -3.34 113.55 125.32 1a12 h SER 342 Ca 0.04 -0.05 -0.27 0.00 -0.47 0.00 0.00 61.79 61.04 1a12 h SER 342 Cb 1.04 -0.05 -0.09 0.00 -0.31 0.00 0.00 62.40 62.98 1a12 h SER 342 CO 1.07 0.44 -0.19 0.54 -0.87 0.00 0.00 176.83 177.82 1a12 n ARG 343 N -4.20 2.10 -4.04 4.77 1.74 -1.26 -4.82 116.66 110.95 1a12 n ARG 343 Ca -0.01 -1.32 -0.12 0.00 -0.77 0.00 0.00 57.85 55.62 1a12 n ARG 343 Cb 0.33 -2.04 -0.12 0.00 -1.02 0.00 0.00 32.46 29.62 1a12 n ARG 343 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1a12 s LEU 344 N -0.52 2.20 1.46 0.55 1.43 -1.26 -4.67 118.68 117.87 1a12 s LEU 344 Ca 0.65 -0.43 -0.24 0.00 -1.03 0.00 0.00 54.13 53.08 1a12 s LEU 344 Cb 0.33 -0.10 0.38 0.00 0.03 0.00 0.00 46.19 46.83 1a12 s LEU 344 CO -0.05 -0.17 0.92 -2.84 0.23 0.00 0.00 176.35 174.43 1a12 s PRO 345 N -1.21 -3.21 0.27 1.29 0.02 -1.26 -4.89 135.00 126.00 1a12 s PRO 345 Ca -0.09 0.03 -0.30 0.00 0.02 0.00 0.00 61.00 60.66 1a12 s PRO 345 Cb -0.08 -1.35 -0.11 0.00 0.02 0.00 0.00 34.50 32.98 1a12 s PRO 345 CO -0.00 -5.03 1.55 0.00 -0.33 0.00 0.00 177.00 173.18 1a12 s ALA 346 N -2.27 3.72 -0.11 -1.55 0.00 -1.26 -4.93 121.76 115.36 1a12 s ALA 346 Ca 0.69 1.48 -0.11 0.00 0.00 0.00 0.00 51.96 54.02 1a12 s ALA 346 Cb -0.11 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 1a12 s ALA 346 CO 0.57 -0.89 0.24 0.08 0.00 0.00 0.00 175.76 175.76 1a12 s VAL 347 N 0.12 5.33 -0.15 0.00 1.01 -0.15 -1.03 120.40 125.53 1a12 s VAL 347 Ca 0.63 0.44 0.12 0.00 0.00 0.00 0.00 61.98 63.17 1a12 s VAL 347 Cb -0.46 -3.54 -0.17 0.00 0.00 0.00 0.00 36.38 32.21 1a12 s VAL 347 CO 0.45 0.54 0.02 -1.54 0.00 0.00 0.00 175.10 174.57 1a12 n SER 348 N 2.46 1.54 -3.63 3.32 3.41 0.33 -4.30 113.62 116.74 1a12 n SER 348 Ca -0.16 -0.01 -0.10 0.00 -0.26 0.00 0.00 58.87 58.33 1a12 n SER 348 Cb 0.53 0.71 -0.04 0.00 -0.26 0.00 0.00 64.21 65.15 1a12 n SER 348 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1a12 s SER 349 N -4.93 -0.25 0.12 4.04 1.04 -1.00 -5.01 113.70 107.72 1a12 s SER 349 Ca -0.09 -0.32 0.07 0.00 0.48 0.00 0.00 55.95 56.08 1a12 s SER 349 Cb 0.05 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 1a12 s SER 349 CO 0.58 -0.87 -0.16 0.68 0.98 0.00 0.00 173.24 174.45 1a12 s VAL 350 N -3.81 1.43 0.10 5.02 -7.23 -1.26 -0.77 120.40 113.87 1a12 s VAL 350 Ca 0.03 -1.65 -0.12 0.00 -1.81 0.00 0.00 61.98 58.44 1a12 s VAL 350 Cb 0.02 -1.50 0.01 0.00 0.56 0.00 0.00 36.38 35.46 1a12 s VAL 350 CO -0.11 -0.31 0.27 0.00 -0.31 0.00 0.00 175.10 174.64 1a12 s ALA 351 N -1.81 -0.50 0.12 1.32 0.00 -0.64 -4.80 121.76 115.44 1a12 s ALA 351 Ca 0.08 -0.38 0.07 0.00 0.00 0.00 0.00 51.96 51.73 1a12 s ALA 351 Cb -0.07 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 1a12 s ALA 351 CO 0.04 -0.54 -0.16 0.00 0.00 0.00 0.00 175.76 175.09 1a12 n GLY 353 N 0.65 4.19 0.27 0.00 0.00 -0.51 -4.08 105.19 105.70 1a12 n GLY 353 Ca -0.16 -2.13 -0.08 0.00 0.00 0.00 0.00 46.02 43.64 1a12 n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a12 h ALA 354 N 0.66 -0.12 0.00 4.61 0.00 -1.53 -3.24 119.26 119.65 1a12 h ALA 354 Ca 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1a12 h ALA 354 Cb 0.00 0.49 -0.19 0.00 0.00 0.00 0.00 17.79 18.09 1a12 h ALA 354 CO 0.00 -0.66 -0.72 0.43 0.00 0.00 0.00 179.25 178.30 1a12 n SER 355 N -5.37 1.26 -4.21 0.00 7.64 -1.26 -2.21 113.62 109.45 1a12 n SER 355 Ca -0.01 -2.76 -0.12 0.00 1.01 0.00 0.00 58.87 56.99 1a12 n SER 355 Cb 0.29 -0.38 -0.10 0.00 -1.01 0.00 0.00 64.21 63.00 1a12 n SER 355 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1a12 s VAL 356 N -1.36 0.64 0.03 0.44 -7.23 -1.22 -1.63 120.40 110.06 1a12 s VAL 356 Ca 0.32 -1.96 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 1a12 s VAL 356 Cb 0.34 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 35.27 1a12 s VAL 356 CO -0.10 -0.58 -0.04 -0.83 -0.31 0.00 0.00 175.10 173.23 1a12 s GLY 357 N -3.13 0.31 0.05 2.32 0.00 -0.10 -1.43 107.32 105.34 1a12 s GLY 357 Ca 0.21 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.30 1a12 s GLY 357 CO 0.01 -0.69 -0.04 -0.19 0.00 0.00 0.00 173.10 172.19 1a12 s TYR 358 N -1.41 0.53 -0.07 1.90 1.51 0.22 -1.19 117.35 118.84 1a12 s TYR 358 Ca -0.14 -0.78 -0.03 0.00 -1.01 0.00 0.00 57.07 55.11 1a12 s TYR 358 Cb -0.10 -0.35 0.04 0.00 -0.11 0.00 0.00 41.96 41.44 1a12 s TYR 358 CO -0.01 -0.23 0.13 0.00 -1.11 0.00 0.00 175.55 174.34 1a12 s ALA 359 N -2.68 -0.13 -0.14 3.71 0.00 -0.63 -1.63 121.76 120.26 1a12 s ALA 359 Ca -0.02 0.54 -0.16 0.00 0.00 0.00 0.00 51.96 52.32 1a12 s ALA 359 Cb -0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 1a12 s ALA 359 CO -0.05 -0.37 0.39 0.08 0.00 0.00 0.00 175.76 175.82 1a12 s VAL 360 N 1.77 5.24 0.60 0.00 1.01 0.05 -0.67 120.40 128.39 1a12 s VAL 360 Ca -0.02 0.76 -0.06 0.00 0.00 0.00 0.00 61.98 62.66 1a12 s VAL 360 Cb -0.12 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.54 1a12 s VAL 360 CO -0.05 0.35 0.91 0.42 0.00 0.00 0.00 175.10 176.72 1a12 s THR 361 N 0.62 3.50 0.43 3.92 -4.23 0.65 -0.51 115.64 120.01 1a12 s THR 361 Ca 0.21 -0.03 0.16 0.00 -1.18 0.00 0.00 61.69 60.86 1a12 s THR 361 Cb -0.14 -3.40 0.19 0.00 1.34 0.00 0.00 72.50 70.48 1a12 s THR 361 CO 0.07 -0.41 1.98 0.11 -0.54 0.00 0.00 174.62 175.82 1a12 h LYS 362 N -0.22 0.00 -0.56 3.99 1.57 -1.36 -1.20 116.57 118.79 1a12 h LYS 362 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1a12 h LYS 362 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1a12 h LYS 362 CO 0.60 0.21 0.00 -0.40 -0.57 0.00 0.00 179.45 179.29 1a12 n ASP 363 N -4.16 2.28 0.00 0.86 5.75 -1.26 -4.91 116.55 115.10 1a12 n ASP 363 Ca -0.02 -2.19 0.00 0.00 -0.01 0.00 0.00 54.79 52.57 1a12 n ASP 363 Cb 0.27 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 1a12 n ASP 363 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a12 n GLY 364 N 0.63 0.45 3.86 6.12 0.00 -0.45 -4.91 105.19 110.89 1a12 n GLY 364 Ca 0.11 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 1a12 n GLY 364 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a12 s ARG 365 N -2.30 3.07 -0.09 1.61 0.52 -1.26 -0.54 118.95 119.96 1a12 s ARG 365 Ca 0.00 -0.93 0.03 0.00 -0.52 0.00 0.00 55.73 54.30 1a12 s ARG 365 Cb 0.00 -2.67 0.01 0.00 0.52 0.00 0.00 34.95 32.81 1a12 s ARG 365 CO 0.00 0.43 -0.17 0.54 0.02 0.00 0.00 175.30 176.12 1a12 s VAL 366 N -2.02 1.53 0.06 3.52 0.11 -1.26 -0.26 120.40 122.09 1a12 s VAL 366 Ca 0.33 -0.69 0.05 0.00 -2.93 0.00 0.00 61.98 58.73 1a12 s VAL 366 Cb -0.09 -1.37 -0.04 0.00 -1.53 0.00 0.00 36.38 33.35 1a12 s VAL 366 CO 0.26 0.45 -0.05 -0.36 -3.33 0.00 0.00 175.10 172.06 1a12 s PHE 367 N 0.69 2.88 0.12 1.54 0.40 0.15 -0.88 117.98 122.89 1a12 s PHE 367 Ca -0.13 -0.07 0.04 0.00 -0.60 0.00 0.00 56.93 56.18 1a12 s PHE 367 Cb -0.16 -1.53 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 1a12 s PHE 367 CO 0.03 0.43 -0.11 0.00 0.70 0.00 0.00 175.22 176.27 1a12 s ALA 368 N -1.17 1.32 0.21 5.36 0.00 -0.07 -1.60 121.76 125.81 1a12 s ALA 368 Ca 0.21 -1.34 -0.22 0.00 0.00 0.00 0.00 51.96 50.61 1a12 s ALA 368 Cb -0.11 0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.08 1a12 s ALA 368 CO 0.13 -0.04 0.67 1.67 0.00 0.00 0.00 175.76 178.19 1a12 s TRP 369 N -2.80 -0.37 0.00 0.00 -2.14 -0.33 -0.42 118.94 112.88 1a12 s TRP 369 Ca 0.11 0.05 0.00 0.00 2.66 0.00 0.00 56.10 58.92 1a12 s TRP 369 Cb -0.01 0.63 0.00 0.00 -3.10 0.00 0.00 33.47 30.99 1a12 s TRP 369 CO 0.01 -1.01 0.00 0.41 -2.66 0.00 0.00 176.95 173.70 1a12 n GLY 370 N -0.41 -0.60 3.70 3.67 0.00 0.30 -0.93 105.19 110.92 1a12 n GLY 370 Ca -0.11 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 1a12 n GLY 370 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1a12 s MET 371 N 0.00 4.17 0.00 1.61 1.75 -0.65 -1.30 119.30 124.88 1a12 s MET 371 Ca 0.00 2.48 0.22 0.00 -1.25 0.00 0.00 55.69 57.14 1a12 s MET 371 Cb 0.00 -3.43 -0.13 0.00 2.84 0.00 0.00 34.83 34.11 1a12 s MET 371 CO 0.00 -0.75 0.90 0.41 -0.65 0.00 0.00 175.02 174.93 1a12 n GLY 372 N 4.04 -1.06 0.31 2.11 0.00 -1.26 -4.64 105.19 104.69 1a12 n GLY 372 Ca 0.16 -0.53 0.09 0.00 0.00 0.00 0.00 46.02 45.74 1a12 n GLY 372 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1a12 h THR 373 N 0.00 0.21 -0.02 2.61 2.02 -1.82 -1.21 112.91 114.70 1a12 h THR 373 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1a12 h THR 373 Cb 0.62 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1a12 h THR 373 CO 0.00 0.01 0.00 0.59 0.37 0.00 0.00 175.52 176.49 1a12 n ASN 374 N -5.40 0.51 -1.79 4.18 3.02 -1.26 -4.92 115.26 109.59 1a12 n ASN 374 Ca 0.18 -1.26 -0.13 0.00 -0.03 0.00 0.00 54.58 53.33 1a12 n ASN 374 Cb 0.59 -0.01 0.01 0.00 -0.61 0.00 0.00 39.78 39.76 1a12 n ASN 374 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1a12 n TYR 375 N -0.56 -1.03 0.66 3.10 4.01 -0.46 -3.22 117.16 119.65 1a12 n TYR 375 Ca 0.20 0.23 0.13 0.00 -0.16 0.00 0.00 57.90 58.30 1a12 n TYR 375 Cb 0.18 -3.05 0.35 0.00 -0.31 0.00 0.00 39.34 36.51 1a12 n TYR 375 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1a12 n GLN 376 N -2.60 0.24 0.22 -0.72 6.02 -1.26 -3.48 117.38 115.79 1a12 n GLN 376 Ca -0.09 0.15 0.12 0.00 -0.01 0.00 0.00 57.00 57.17 1a12 n GLN 376 Cb 0.59 -1.73 0.16 0.00 1.02 0.00 0.00 30.24 30.27 1a12 n GLN 376 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1a12 h LEU 377 N 0.00 0.00 0.25 1.08 3.38 -1.86 -3.46 115.31 114.70 1a12 h LEU 377 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1a12 h LEU 377 Cb 0.71 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 1a12 h LEU 377 CO 0.00 0.02 -0.10 0.61 0.09 0.00 0.00 178.44 179.06 1a12 n GLY 378 N 1.11 0.79 0.13 0.83 0.00 -1.25 -4.74 105.19 102.05 1a12 n GLY 378 Ca 0.04 -0.66 0.02 0.00 0.00 0.00 0.00 46.02 45.42 1a12 n GLY 378 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1a12 h THR 379 N 0.00 0.87 0.00 2.61 1.35 -1.89 -3.38 112.91 112.47 1a12 h THR 379 Ca -0.11 -2.26 0.00 0.00 -0.55 0.00 0.00 66.41 63.49 1a12 h THR 379 Cb 0.39 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1a12 h THR 379 CO 0.16 0.50 0.00 0.61 -0.25 0.00 0.00 175.52 176.54 1a12 n GLY 380 N 1.25 0.24 3.48 5.82 0.00 -1.24 -5.06 105.19 109.69 1a12 n GLY 380 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1a12 n GLY 380 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a12 s GLN 381 N -0.91 1.69 -0.13 1.61 -1.52 -1.26 -5.01 119.66 114.14 1a12 s GLN 381 Ca 0.00 -1.92 0.15 0.00 -1.95 0.00 0.00 55.36 51.63 1a12 s GLN 381 Cb 0.00 -1.11 0.48 0.00 -0.22 0.00 0.00 33.01 32.15 1a12 s GLN 381 CO 0.00 -0.10 1.39 -0.40 -0.25 0.00 0.00 175.29 175.93 1a12 n ASP 382 N -0.72 3.68 -4.81 5.90 5.75 -1.26 -4.65 116.55 120.44 1a12 n ASP 382 Ca -0.04 -2.71 -0.35 0.00 -0.01 0.00 0.00 54.79 51.69 1a12 n ASP 382 Cb 0.66 -0.46 -0.07 0.00 -1.03 0.00 0.00 41.12 40.22 1a12 n ASP 382 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1a12 s GLU 383 N -2.27 4.34 0.59 0.11 0.41 -1.26 -2.77 118.70 117.85 1a12 s GLU 383 Ca 0.37 1.13 -0.19 0.00 -0.41 0.00 0.00 54.97 55.87 1a12 s GLU 383 Cb 0.28 -2.49 -0.03 0.00 -1.78 0.00 0.00 34.13 30.10 1a12 s GLU 383 CO 0.11 0.14 1.25 -0.51 -0.49 0.00 0.00 175.26 175.76 1a12 s ASP 384 N -1.94 5.14 -0.27 -0.19 1.01 -1.26 -4.01 116.67 115.15 1a12 s ASP 384 Ca 0.55 2.49 0.02 0.00 0.71 0.00 0.00 52.55 56.32 1a12 s ASP 384 Cb -0.13 -2.61 0.06 0.00 1.01 0.00 0.00 42.92 41.25 1a12 s ASP 384 CO 0.18 -1.63 -0.08 0.00 0.21 0.00 0.00 175.17 173.84 1a12 s ALA 385 N -1.50 2.63 -1.01 5.23 0.00 -0.42 -4.90 121.76 121.78 1a12 s ALA 385 Ca 0.77 -1.78 0.29 0.00 0.00 0.00 0.00 51.96 51.23 1a12 s ALA 385 Cb -0.33 -1.67 1.15 0.00 0.00 0.00 0.00 23.12 22.27 1a12 s ALA 385 CO 0.37 -1.22 1.87 0.91 0.00 0.00 0.00 175.76 177.68 1a12 n TRP 386 N 4.47 0.00 -4.34 0.00 7.02 -1.26 -0.54 117.44 122.79 1a12 n TRP 386 Ca -0.14 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.17 1a12 n TRP 386 Cb 0.42 -0.46 -0.10 0.00 -2.42 0.00 0.00 31.31 28.75 1a12 n TRP 386 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1a12 s SER 387 N -2.99 2.26 0.19 -0.99 0.01 -1.26 -0.13 113.70 110.79 1a12 s SER 387 Ca 0.14 -1.10 -0.31 0.00 1.31 0.00 0.00 55.95 55.99 1a12 s SER 387 Cb 0.19 -0.08 -0.10 0.00 0.21 0.00 0.00 66.02 66.24 1a12 s SER 387 CO 0.55 -0.33 1.53 -2.84 0.41 0.00 0.00 173.24 172.57 1a12 s PRO 388 N -3.74 4.23 -0.12 12.44 0.02 -1.26 -4.73 135.00 141.84 1a12 s PRO 388 Ca 0.24 2.35 0.02 0.00 0.02 0.00 0.00 61.00 63.63 1a12 s PRO 388 Cb 0.02 -3.14 -0.01 0.00 0.02 0.00 0.00 34.50 31.40 1a12 s PRO 388 CO 0.07 -0.56 -0.18 0.08 -0.33 0.00 0.00 177.00 176.07 1a12 s VAL 389 N 0.82 2.55 0.08 3.83 1.01 0.44 -4.89 120.40 124.23 1a12 s VAL 389 Ca 0.67 -0.84 -0.31 0.00 0.00 0.00 0.00 61.98 61.50 1a12 s VAL 389 Cb -0.43 -2.03 -0.07 0.00 0.00 0.00 0.00 36.38 33.84 1a12 s VAL 389 CO 0.35 0.54 1.42 -0.70 0.00 0.00 0.00 175.10 176.71 1a12 s GLU 390 N 0.35 4.30 -0.11 2.72 2.12 -1.26 -0.89 118.70 125.93 1a12 s GLU 390 Ca -0.15 2.07 -0.30 0.00 0.36 0.00 0.00 54.97 56.96 1a12 s GLU 390 Cb -0.17 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 30.82 1a12 s GLU 390 CO 0.07 -0.51 1.15 -1.64 -0.54 0.00 0.00 175.26 173.79 1a12 s MET 391 N 1.65 4.33 0.00 4.30 -1.94 -0.06 -4.94 119.30 122.64 1a12 s MET 391 Ca 0.65 1.57 0.00 0.00 -1.71 0.00 0.00 55.69 56.20 1a12 s MET 391 Cb -0.36 -3.60 0.00 0.00 2.01 0.00 0.00 34.83 32.88 1a12 s MET 391 CO 0.29 -0.49 0.00 -1.33 -0.01 0.00 0.00 175.02 173.48 1a12 n MET 392 N 5.56 3.84 0.00 2.03 0.00 -1.26 -4.73 117.12 122.55 1a12 n MET 392 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.81 1a12 n MET 392 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.68 1a12 n MET 392 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1a12 n GLY 393 N 4.80 1.89 0.31 3.03 0.00 -1.26 -4.73 105.19 109.23 1a12 n GLY 393 Ca 0.00 -2.22 -0.09 0.00 0.00 0.00 0.00 46.02 43.72 1a12 n GLY 393 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1a12 h LYS 394 N 0.00 1.08 0.00 1.61 3.64 -1.97 -2.78 116.57 118.15 1a12 h LYS 394 Ca 0.00 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1a12 h LYS 394 Cb 0.00 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1a12 h LYS 394 CO 0.00 1.02 0.00 1.04 -2.27 0.00 0.00 179.45 179.24 1a12 n GLN 395 N -4.22 0.06 -0.00 1.90 1.13 -1.26 -2.80 117.38 112.18 1a12 n GLN 395 Ca 0.04 0.12 0.09 0.00 -1.94 0.00 0.00 57.00 55.31 1a12 n GLN 395 Cb 0.31 -1.58 -0.12 0.00 0.11 0.00 0.00 30.24 28.97 1a12 n GLN 395 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1a12 n LEU 396 N -1.67 0.69 -4.69 1.08 4.77 -1.12 -4.81 117.00 111.25 1a12 n LEU 396 Ca 0.06 -0.38 -0.43 0.00 -0.03 0.00 0.00 56.01 55.22 1a12 n LEU 396 Cb 0.31 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1a12 n LEU 396 CO 0.24 0.17 1.38 -0.62 -1.33 0.00 0.00 177.39 177.24 1a12 n GLU 397 N -1.62 2.61 -2.03 3.23 1.02 -1.07 -2.17 120.64 120.61 1a12 n GLU 397 Ca 0.02 0.94 -0.18 0.00 -0.02 0.00 0.00 57.16 57.93 1a12 n GLU 397 Cb 0.35 -2.79 -0.03 0.00 -0.02 0.00 0.00 31.44 28.94 1a12 n GLU 397 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1a12 n ASN 398 N 4.70 -5.17 -4.15 1.62 5.03 -1.26 -4.97 115.26 111.06 1a12 n ASN 398 Ca 0.17 0.16 -0.16 0.00 0.87 0.00 0.00 54.58 55.62 1a12 n ASN 398 Cb 0.34 -4.24 -0.12 0.00 -1.02 0.00 0.00 39.78 34.74 1a12 n ASN 398 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1a12 s ARG 399 N -4.36 0.77 -0.15 3.52 0.52 -0.92 -0.88 118.95 117.45 1a12 s ARG 399 Ca 0.00 -0.96 -0.04 0.00 -0.52 0.00 0.00 55.73 54.20 1a12 s ARG 399 Cb 0.00 -0.65 -0.03 0.00 0.52 0.00 0.00 34.95 34.79 1a12 s ARG 399 CO 0.00 0.13 0.00 0.14 0.02 0.00 0.00 175.30 175.59 1a12 s VAL 400 N -1.57 4.25 -0.05 3.52 -7.23 0.38 -4.82 120.40 114.88 1a12 s VAL 400 Ca -0.02 -0.24 -0.30 0.00 -1.81 0.00 0.00 61.98 59.62 1a12 s VAL 400 Cb -0.08 -2.86 -0.02 0.00 0.56 0.00 0.00 36.38 33.97 1a12 s VAL 400 CO 0.01 0.51 0.98 -0.69 -0.31 0.00 0.00 175.10 175.60 1a12 s VAL 401 N 0.10 4.84 -0.12 1.32 1.01 0.29 -0.96 120.40 126.87 1a12 s VAL 401 Ca 0.02 2.03 0.11 0.00 0.00 0.00 0.00 61.98 64.14 1a12 s VAL 401 Cb -0.13 -4.31 -0.24 0.00 0.00 0.00 0.00 36.38 31.71 1a12 s VAL 401 CO 0.02 0.09 0.35 0.18 0.00 0.00 0.00 175.10 175.74 1a12 n LEU 402 N 4.39 0.94 -3.46 3.92 4.77 0.13 -4.62 117.00 123.08 1a12 n LEU 402 Ca 0.07 0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 56.14 1a12 n LEU 402 Cb 0.50 0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 1a12 n LEU 402 CO 0.52 0.53 0.52 -0.94 -1.33 0.00 0.00 177.39 176.68 1a12 s SER 403 N -6.02 -0.49 0.01 -1.43 1.04 -1.05 -4.99 113.70 100.77 1a12 s SER 403 Ca -0.11 0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.34 1a12 s SER 403 Cb 0.07 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.70 1a12 s SER 403 CO 0.80 -0.82 -0.03 0.54 0.98 0.00 0.00 173.24 174.71 1a12 s VAL 404 N -3.44 0.23 -0.03 5.02 0.11 -1.26 -1.60 120.40 119.43 1a12 s VAL 404 Ca 0.02 -0.34 -0.09 0.00 -2.93 0.00 0.00 61.98 58.64 1a12 s VAL 404 Cb -0.01 -0.24 0.01 0.00 -1.53 0.00 0.00 36.38 34.61 1a12 s VAL 404 CO -0.11 -0.07 0.20 -0.55 -3.33 0.00 0.00 175.10 171.24 1a12 s SER 405 N -0.45 -0.11 -0.01 3.54 0.15 -0.07 -4.72 113.70 112.03 1a12 s SER 405 Ca -0.03 0.10 -0.05 0.00 0.70 0.00 0.00 55.95 56.68 1a12 s SER 405 Cb -0.03 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1a12 s SER 405 CO -0.00 -0.27 0.10 -0.55 1.20 0.00 0.00 173.24 173.72 1a12 s SER 406 N -0.79 0.01 0.00 5.45 0.15 -1.26 -0.39 113.70 116.87 1a12 s SER 406 Ca -0.09 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.48 1a12 s SER 406 Cb -0.05 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1a12 s SER 406 CO 0.02 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1a12 n GLY 407 N 2.09 4.76 0.12 9.45 0.00 -0.34 -4.25 105.19 117.02 1a12 n GLY 407 Ca -0.19 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 1a12 n GLY 407 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1a12 h GLY 408 N 0.00 -0.19 0.00 -0.02 0.00 -1.28 -1.66 103.07 99.92 1a12 h GLY 408 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1a12 h GLY 408 CO 0.00 -0.07 0.00 -1.06 0.00 0.00 0.00 176.54 175.41 1a12 n GLN 409 N -4.99 0.51 -4.30 4.80 6.02 -1.26 -4.51 117.38 113.64 1a12 n GLN 409 Ca -0.09 -0.59 -0.16 0.00 -0.01 0.00 0.00 57.00 56.16 1a12 n GLN 409 Cb 0.24 -0.65 -0.10 0.00 1.02 0.00 0.00 30.24 30.74 1a12 n GLN 409 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1a12 s HIS 410 N -0.20 1.49 -0.02 1.08 -3.43 -1.26 -0.93 115.29 112.02 1a12 s HIS 410 Ca 0.00 -1.18 -0.03 0.00 -0.80 0.00 0.00 55.06 53.05 1a12 s HIS 410 Cb 0.00 -0.87 0.00 0.00 -1.43 0.00 0.00 32.58 30.29 1a12 s HIS 410 CO 0.00 -0.35 0.07 0.99 -2.00 0.00 0.00 174.74 173.45 1a12 s THR 411 N -3.77 0.03 -0.10 -5.38 2.01 -0.37 -1.20 115.64 106.86 1a12 s THR 411 Ca 0.37 -0.22 0.03 0.00 0.31 0.00 0.00 61.69 62.18 1a12 s THR 411 Cb 0.08 -0.18 0.01 0.00 0.01 0.00 0.00 72.50 72.42 1a12 s THR 411 CO 0.13 -0.12 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.06 1a12 s VAL 412 N -0.36 1.69 0.06 3.82 1.01 0.48 -1.89 120.40 125.21 1a12 s VAL 412 Ca -0.04 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1a12 s VAL 412 Cb -0.03 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1a12 s VAL 412 CO 0.00 0.48 -0.16 -0.76 0.00 0.00 0.00 175.10 174.66 1a12 s LEU 413 N 0.62 2.75 -0.19 3.92 1.43 0.28 -0.89 118.68 126.60 1a12 s LEU 413 Ca -0.14 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.54 1a12 s LEU 413 Cb -0.16 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.46 1a12 s LEU 413 CO 0.04 0.23 -0.14 -0.22 0.23 0.00 0.00 176.35 176.50 1a12 s LEU 414 N -1.67 2.46 0.25 1.79 2.96 -0.63 -0.83 118.68 123.01 1a12 s LEU 414 Ca 0.16 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.59 1a12 s LEU 414 Cb -0.11 -1.58 -0.05 0.00 0.50 0.00 0.00 46.19 44.94 1a12 s LEU 414 CO 0.08 0.01 -0.01 0.68 -1.32 0.00 0.00 176.35 175.79 1a12 s VAL 415 N 1.24 1.14 0.05 1.68 -7.23 -0.10 0.20 120.40 117.38 1a12 s VAL 415 Ca 0.03 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.16 1a12 s VAL 415 Cb -0.14 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 1a12 s VAL 415 CO -0.07 -0.29 -0.06 -0.75 -0.31 0.00 0.00 175.10 173.63 1a12 s LYS 416 N -3.85 0.55 0.30 4.82 2.20 -0.14 -0.53 119.74 123.09 1a12 s LYS 416 Ca 0.29 -0.92 -0.29 0.00 -0.36 0.00 0.00 55.97 54.70 1a12 s LYS 416 Cb 0.06 -0.09 -0.10 0.00 -1.51 0.00 0.00 37.83 36.19 1a12 s LYS 416 CO 0.10 -0.02 1.32 -0.51 -0.36 0.00 0.00 175.35 175.88 1a12 s ASP 417 N -2.07 6.79 0.14 1.43 1.01 -1.26 -0.47 116.67 122.23 1a12 s ASP 417 Ca -0.04 2.63 -0.35 0.00 0.71 0.00 0.00 52.55 55.50 1a12 s ASP 417 Cb -0.04 -2.64 -0.16 0.00 1.01 0.00 0.00 42.92 41.09 1a12 s ASP 417 CO -0.03 -0.54 1.30 1.17 0.21 0.00 0.00 175.17 177.28 1a12 n LYS 418 N 1.28 1.30 -0.75 8.23 4.81 -0.05 -4.69 118.16 128.29 1a12 n LYS 418 Ca 0.02 0.47 -0.09 0.00 -0.87 0.00 0.00 58.31 57.84 1a12 n LYS 418 Cb 0.42 -2.06 -0.12 0.00 0.02 0.00 0.00 35.03 33.28 1a12 n LYS 418 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1a12 n GLU 419 N 2.26 1.49 -4.37 1.64 4.71 -1.26 -4.75 120.64 120.36 1a12 n GLU 419 Ca 0.16 -0.71 -0.33 0.00 -0.01 0.00 0.00 57.16 56.27 1a12 n GLU 419 Cb 0.23 -1.83 -0.16 0.00 -1.01 0.00 0.00 31.44 28.67 1a12 n GLU 419 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1a12 s GLN 420 N 1.36 3.03 0.00 3.49 -0.21 -1.26 -5.27 119.66 120.80 1a12 s GLN 420 Ca 0.48 -0.83 0.00 0.00 0.02 0.00 0.00 55.36 55.03 1a12 s GLN 420 Cb 0.23 -2.53 0.00 0.00 1.00 0.00 0.00 33.01 31.71 1a12 s GLN 420 CO 0.00 -0.11 0.00 -1.13 -2.12 0.00 0.00 175.29 171.93