#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a12 n LYS 22 N 0.00 -0.26 -3.53 1.97 5.02 -1.26 -4.91 118.16 115.18 1a12 n LYS 22 Ca 0.00 0.26 -0.42 0.00 -2.02 0.00 0.00 58.31 56.13 1a12 n LYS 22 Cb 0.00 -0.35 -0.09 0.00 -0.02 0.00 0.00 35.03 34.57 1a12 n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1a12 s VAL 23 N -0.29 4.61 0.63 -0.18 1.01 -1.26 -5.08 120.40 119.84 1a12 s VAL 23 Ca 0.05 -1.21 -0.09 0.00 0.00 0.00 0.00 61.98 60.72 1a12 s VAL 23 Cb -0.00 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 1a12 s VAL 23 CO 0.11 -0.49 1.00 -0.54 0.00 0.00 0.00 175.10 175.17 1a12 s LYS 24 N 1.51 3.17 0.17 2.72 1.02 -1.26 -4.54 119.74 122.53 1a12 s LYS 24 Ca 0.03 0.42 0.09 0.00 0.02 0.00 0.00 55.97 56.53 1a12 s LYS 24 Cb -0.23 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.91 1a12 s LYS 24 CO 0.04 -0.73 -0.20 0.14 -0.92 0.00 0.00 175.35 173.69 1a12 s VAL 25 N -3.16 1.98 0.29 3.17 -7.23 0.99 -4.95 120.40 111.49 1a12 s VAL 25 Ca 0.55 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 1a12 s VAL 25 Cb -0.11 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 1a12 s VAL 25 CO 0.50 -0.26 0.18 -0.55 -0.31 0.00 0.00 175.10 174.67 1a12 s SER 26 N -2.67 1.34 -0.07 4.85 0.15 -1.26 -4.85 113.70 111.19 1a12 s SER 26 Ca 0.17 -1.58 -0.29 0.00 0.70 0.00 0.00 55.95 54.95 1a12 s SER 26 Cb -0.06 0.43 0.10 0.00 -1.71 0.00 0.00 66.02 64.78 1a12 s SER 26 CO 0.08 -0.92 0.88 -2.28 1.20 0.00 0.00 173.24 172.19 1a12 s HIS 27 N -3.66 -0.43 -0.19 3.44 2.46 -1.26 -4.88 115.29 110.77 1a12 s HIS 27 Ca 0.37 0.58 0.28 0.00 0.47 0.00 0.00 55.06 56.76 1a12 s HIS 27 Cb 0.05 0.48 1.20 0.00 -0.13 0.00 0.00 32.58 34.17 1a12 s HIS 27 CO 0.19 -0.49 1.85 0.07 -2.47 0.00 0.00 174.74 173.88 1a12 h ARG 28 N 2.43 0.00 0.00 2.88 0.11 -1.99 -2.26 114.38 115.56 1a12 h ARG 28 Ca -0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.86 1a12 h ARG 28 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1a12 h ARG 28 CO 0.33 0.00 0.00 0.66 0.10 0.00 0.00 179.97 181.06 1a12 h SER 29 N 0.00 0.00 -3.93 0.08 4.64 -1.96 -3.46 113.55 108.93 1a12 h SER 29 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1a12 h SER 29 Cb 0.40 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.54 1a12 h SER 29 CO 0.00 0.00 0.52 -1.00 -0.87 0.00 0.00 176.83 175.48 1a12 s HIS 30 N -3.11 3.09 -0.12 4.77 3.76 -0.85 -5.03 115.29 117.80 1a12 s HIS 30 Ca 0.10 1.54 -0.05 0.00 -0.15 0.00 0.00 55.06 56.50 1a12 s HIS 30 Cb 0.11 -3.43 -0.04 0.00 1.11 0.00 0.00 32.58 30.34 1a12 s HIS 30 CO 0.60 -1.35 0.08 -1.12 -0.85 0.00 0.00 174.74 172.11 1a12 s SER 31 N -1.03 5.88 0.00 1.40 0.01 -1.26 -4.98 113.70 113.71 1a12 s SER 31 Ca 0.55 0.29 0.00 0.00 1.31 0.00 0.00 55.95 58.10 1a12 s SER 31 Cb -0.32 -1.85 0.00 0.00 0.21 0.00 0.00 66.02 64.06 1a12 s SER 31 CO 0.41 0.35 0.05 0.35 0.41 0.00 0.00 173.24 174.81 1a12 n THR 32 N 2.33 0.00 -2.83 1.44 -2.24 -1.26 -4.82 114.28 106.90 1a12 n THR 32 Ca -0.19 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.02 1a12 n THR 32 Cb 0.54 1.24 -0.04 0.00 -2.10 0.00 0.00 70.33 69.97 1a12 n THR 32 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1a12 s GLU 33 N -0.20 4.24 0.32 -0.78 2.12 -1.26 -4.95 118.70 118.18 1a12 s GLU 33 Ca 0.00 1.07 -0.29 0.00 0.36 0.00 0.00 54.97 56.11 1a12 s GLU 33 Cb 0.00 -3.62 -0.10 0.00 0.26 0.00 0.00 34.13 30.66 1a12 s GLU 33 CO 0.00 -0.49 1.40 -1.25 -0.54 0.00 0.00 175.26 174.38 1a12 s PRO 34 N 2.73 4.26 0.19 4.30 0.04 -1.26 -4.45 135.00 140.81 1a12 s PRO 34 Ca 0.38 2.35 -0.05 0.00 0.04 0.00 0.00 61.00 63.72 1a12 s PRO 34 Cb -0.16 -3.05 0.02 0.00 0.04 0.00 0.00 34.50 31.35 1a12 s PRO 34 CO 0.09 -0.36 0.33 0.41 0.04 0.00 0.00 177.00 177.51 1a12 n GLY 35 N 1.14 1.99 3.56 0.56 0.00 0.25 -4.81 105.19 107.89 1a12 n GLY 35 Ca 0.02 -1.30 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 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 2.98 -0.18 0.99 1.43 0.12 -1.47 118.68 122.54 1a12 s LEU 36 Ca 0.11 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.66 1a12 s LEU 36 Cb -0.02 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.41 1a12 s LEU 36 CO 0.08 0.15 0.11 -0.69 0.23 0.00 0.00 176.35 176.24 1a12 s VAL 37 N -1.36 5.28 0.02 -1.59 1.01 -1.26 -0.70 120.40 121.80 1a12 s VAL 37 Ca 0.22 0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.42 1a12 s VAL 37 Cb -0.10 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 1a12 s VAL 37 CO 0.14 0.48 -0.24 -0.76 0.00 0.00 0.00 175.10 174.71 1a12 s LEU 38 N 0.11 2.12 0.14 3.92 1.43 -0.36 -0.48 118.68 125.55 1a12 s LEU 38 Ca 0.08 -0.51 0.07 0.00 -1.03 0.00 0.00 54.13 52.74 1a12 s LEU 38 Cb -0.11 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 1a12 s LEU 38 CO -0.01 0.25 -0.16 0.42 0.23 0.00 0.00 176.35 177.09 1a12 s THR 39 N -0.70 1.52 0.19 5.49 -4.23 -0.33 0.15 115.64 117.74 1a12 s THR 39 Ca 0.10 -1.82 -0.15 0.00 -1.18 0.00 0.00 61.69 58.64 1a12 s THR 39 Cb -0.09 -1.68 0.02 0.00 1.34 0.00 0.00 72.50 72.08 1a12 s THR 39 CO 0.01 -0.39 0.46 -1.48 -0.54 0.00 0.00 174.62 172.67 1a12 s LEU 40 N -2.58 0.33 0.00 4.79 2.34 -0.72 -1.02 118.68 121.81 1a12 s LEU 40 Ca 0.12 -0.63 0.00 0.00 0.06 0.00 0.00 54.13 53.68 1a12 s LEU 40 Cb -0.05 1.87 0.00 0.00 -0.56 0.00 0.00 46.19 47.46 1a12 s LEU 40 CO 0.04 -1.03 0.00 0.61 -1.06 0.00 0.00 176.35 174.92 1a12 n GLY 41 N -0.31 -0.09 3.80 -3.48 0.00 0.29 -0.88 105.19 104.52 1a12 n GLY 41 Ca -0.08 -1.86 -0.36 0.00 0.00 0.00 0.00 46.02 43.72 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 4.43 -0.01 1.61 -1.52 0.20 -1.18 119.66 123.19 1a12 s GLN 42 Ca 0.00 1.15 0.17 0.00 -1.95 0.00 0.00 55.36 54.73 1a12 s GLN 42 Cb 0.00 -2.74 0.29 0.00 -0.22 0.00 0.00 33.01 30.34 1a12 s GLN 42 CO 0.00 0.27 1.12 0.41 -0.25 0.00 0.00 175.29 176.84 1a12 n GLY 43 N 0.43 1.00 0.27 3.09 0.00 0.67 -4.43 105.19 106.22 1a12 n GLY 43 Ca 0.01 -0.59 0.04 0.00 0.00 0.00 0.00 46.02 45.48 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 0.67 0.29 -0.33 1.61 5.19 -1.87 -2.32 116.42 119.65 1a12 h ASP 44 Ca -0.15 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 1a12 h ASP 44 Cb 1.70 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 41.14 1a12 h ASP 44 CO 0.06 0.30 0.00 1.33 -3.12 0.00 0.00 179.24 177.81 1a12 n VAL 45 N -4.41 2.12 -0.36 -1.35 0.24 -1.26 -4.96 118.33 108.36 1a12 n VAL 45 Ca 0.00 -1.65 0.00 0.00 -2.04 0.00 0.00 64.34 60.65 1a12 n VAL 45 Cb 0.15 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 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 -0.13 0.80 0.23 7.63 0.00 -0.87 -2.92 105.19 109.93 1a12 n GLY 46 Ca 0.21 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.38 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 3.12 0.00 0.00 1.61 -0.00 -1.77 -1.66 115.11 116.41 1a12 h GLN 47 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.56 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 -0.42 -0.07 -0.00 0.00 0.00 178.83 178.34 1a12 h LEU 48 N 0.00 0.00 1.62 0.06 3.38 -1.83 -3.41 115.31 115.13 1a12 h LEU 48 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 1a12 h LEU 48 Cb 0.51 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.26 1a12 h LEU 48 CO 0.00 0.42 -0.41 0.61 0.09 0.00 0.00 178.44 179.16 1a12 n GLY 49 N 1.19 -0.23 0.92 0.83 0.00 -0.64 -4.75 105.19 102.50 1a12 n GLY 49 Ca 0.02 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.46 3.83 0.00 0.99 4.77 -1.10 -4.37 117.00 118.66 1a12 n LEU 50 Ca -0.15 -2.80 0.00 0.00 -0.03 0.00 0.00 56.01 53.04 1a12 n LEU 50 Cb 0.62 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1a12 n LEU 50 CO 0.26 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1a12 n GLY 51 N -0.19 -0.46 0.28 -0.72 0.00 0.04 -4.28 105.19 99.87 1a12 n GLY 51 Ca 0.20 -1.82 0.18 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.89 -3.17 114.58 116.21 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 0.02 -0.66 -0.91 -1.00 0.00 0.00 179.01 176.46 1a12 h ASN 53 N 0.00 0.00 -3.49 1.42 2.35 -1.98 -3.44 115.58 110.44 1a12 h ASN 53 Ca -0.00 -0.11 -0.70 0.00 -0.55 0.00 0.00 56.30 54.94 1a12 h ASN 53 Cb 0.43 0.00 -0.33 0.00 0.05 0.00 0.00 38.32 38.47 1a12 h ASN 53 CO 0.00 0.06 -0.54 -0.69 -1.65 0.00 0.00 177.43 174.61 1a12 s VAL 54 N -3.23 3.45 -0.90 2.81 1.01 -1.20 -4.92 120.40 117.42 1a12 s VAL 54 Ca 0.04 -1.89 0.22 0.00 0.00 0.00 0.00 61.98 60.36 1a12 s VAL 54 Cb 0.11 -3.29 -0.15 0.00 0.00 0.00 0.00 36.38 33.05 1a12 s VAL 54 CO 0.73 -0.62 1.04 0.23 0.00 0.00 0.00 175.10 176.49 1a12 n MET 55 N 4.66 0.07 -3.66 2.72 2.81 -1.26 -4.74 117.12 117.73 1a12 n MET 55 Ca -0.05 -0.01 -0.14 0.00 -1.81 0.00 0.00 57.70 55.69 1a12 n MET 55 Cb 0.42 -1.51 -0.08 0.00 -0.71 0.00 0.00 33.22 31.33 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 -3.05 0.75 -0.07 0.03 2.12 -1.26 -0.24 118.70 116.98 1a12 s GLU 56 Ca 0.07 0.68 -0.03 0.00 0.36 0.00 0.00 54.97 56.06 1a12 s GLU 56 Cb 0.16 0.36 0.04 0.00 0.26 0.00 0.00 34.13 34.95 1a12 s GLU 56 CO 0.81 -0.13 0.13 1.03 -0.54 0.00 0.00 175.26 176.57 1a12 s ARG 57 N -0.01 0.04 -0.06 4.30 1.81 -0.32 -4.97 118.95 119.72 1a12 s ARG 57 Ca -0.03 0.44 -0.00 0.00 -1.72 0.00 0.00 55.73 54.42 1a12 s ARG 57 Cb -0.04 -0.26 -0.26 0.00 -0.45 0.00 0.00 34.95 33.94 1a12 s ARG 57 CO 0.02 -0.24 0.59 0.87 -0.68 0.00 0.00 175.30 175.86 1a12 h LYS 58 N 7.85 0.19 -5.74 3.54 1.57 -1.84 0.84 116.57 122.97 1a12 h LYS 58 Ca -0.28 -0.33 -0.49 0.00 -1.87 0.00 0.00 60.65 57.69 1a12 h LYS 58 Cb 1.13 0.12 -0.15 0.00 0.08 0.00 0.00 32.23 33.40 1a12 h LYS 58 CO 0.28 0.99 -0.75 0.15 -0.57 0.00 0.00 179.45 179.55 1a12 s LYS 59 N -2.59 1.35 0.30 3.15 -0.14 -1.26 -3.61 119.74 116.95 1a12 s LYS 59 Ca -0.14 -1.56 -0.30 0.00 -1.36 0.00 0.00 55.97 52.62 1a12 s LYS 59 Cb 0.07 -1.26 -0.12 0.00 -1.68 0.00 0.00 37.83 34.84 1a12 s LYS 59 CO 0.81 0.23 1.46 -2.30 -0.76 0.00 0.00 175.35 174.78 1a12 n PRO 60 N -0.22 2.37 -4.52 -1.68 -0.02 -1.26 -4.72 135.00 124.96 1a12 n PRO 60 Ca -0.09 0.84 -0.23 0.00 -2.02 0.00 0.00 63.50 61.99 1a12 n PRO 60 Cb 0.59 -2.53 -0.14 0.00 -0.02 0.00 0.00 33.50 31.40 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 -0.39 1.53 0.13 3.55 0.00 -0.19 -4.59 121.76 121.80 1a12 s ALA 61 Ca 0.62 -0.98 -0.31 0.00 0.00 0.00 0.00 51.96 51.30 1a12 s ALA 61 Cb -0.56 -0.28 -0.08 0.00 0.00 0.00 0.00 23.12 22.21 1a12 s ALA 61 CO 0.54 0.33 1.33 -1.17 0.00 0.00 0.00 175.76 176.78 1a12 s LEU 62 N -1.19 4.38 -0.44 0.00 2.96 -1.26 -1.18 118.68 121.96 1a12 s LEU 62 Ca 0.05 2.28 -0.14 0.00 -0.22 0.00 0.00 54.13 56.11 1a12 s LEU 62 Cb -0.08 -3.59 0.06 0.00 0.50 0.00 0.00 46.19 43.07 1a12 s LEU 62 CO 0.02 -0.58 0.32 -0.69 -1.32 0.00 0.00 176.35 174.10 1a12 s VAL 63 N 0.83 4.95 -0.15 1.68 1.01 0.36 -4.93 120.40 124.16 1a12 s VAL 63 Ca 0.61 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1a12 s VAL 63 Cb -0.35 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 1a12 s VAL 63 CO 0.32 -0.46 1.20 -0.94 0.00 0.00 0.00 175.10 175.22 1a12 s SER 64 N 2.18 7.01 0.01 3.32 1.04 -1.26 -4.39 113.70 121.61 1a12 s SER 64 Ca 0.04 1.66 0.06 0.00 0.48 0.00 0.00 55.95 58.18 1a12 s SER 64 Cb -0.22 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.34 1a12 s SER 64 CO 0.06 -0.69 -0.17 -0.63 0.98 0.00 0.00 173.24 172.79 1a12 s ILE 65 N 3.10 1.38 -1.05 -1.02 1.01 -1.26 -4.86 121.20 118.50 1a12 s ILE 65 Ca 0.53 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1a12 s ILE 65 Cb -0.21 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.08 1a12 s ILE 65 CO 0.15 0.26 0.44 -0.81 0.00 0.00 0.00 174.94 174.98 1a12 n PRO 66 N 2.29 0.84 -3.81 2.79 -0.04 -1.26 -4.73 135.00 131.08 1a12 n PRO 66 Ca -0.16 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.20 1a12 n PRO 66 Cb 0.54 -1.40 -0.06 0.00 -0.04 0.00 0.00 33.50 32.54 1a12 n PRO 66 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1a12 s GLU 67 N -1.05 1.13 0.48 0.54 2.02 -1.26 -5.16 118.70 115.40 1a12 s GLU 67 Ca 0.00 -0.95 -0.20 0.00 0.02 0.00 0.00 54.97 53.84 1a12 s GLU 67 Cb 0.00 0.43 -0.09 0.00 0.10 0.00 0.00 34.13 34.57 1a12 s GLU 67 CO 0.00 -0.43 1.02 -0.51 0.02 0.00 0.00 175.26 175.36 1a12 s ASP 68 N -2.89 6.46 -0.07 -0.19 1.01 -1.26 -4.95 116.67 114.79 1a12 s ASP 68 Ca 0.09 1.88 0.03 0.00 0.71 0.00 0.00 52.55 55.27 1a12 s ASP 68 Cb 0.02 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 1a12 s ASP 68 CO -0.06 -0.70 -0.16 -0.69 0.21 0.00 0.00 175.17 173.77 1a12 s VAL 69 N -2.03 2.84 -0.19 -1.27 1.01 -0.54 -1.53 120.40 118.70 1a12 s VAL 69 Ca 0.66 -0.79 0.18 0.00 0.00 0.00 0.00 61.98 62.04 1a12 s VAL 69 Cb -0.15 -2.11 -0.27 0.00 0.00 0.00 0.00 36.38 33.85 1a12 s VAL 69 CO 0.19 0.57 0.47 1.33 0.00 0.00 0.00 175.10 177.66 1a12 n VAL 70 N 2.67 0.00 -3.79 2.92 0.24 0.11 -0.58 118.33 119.90 1a12 n VAL 70 Ca -0.17 -0.35 -0.13 0.00 -2.04 0.00 0.00 64.34 61.65 1a12 n VAL 70 Cb 0.52 0.27 -0.11 0.00 -1.47 0.00 0.00 33.84 33.05 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 -3.15 0.36 -0.15 7.34 0.74 -1.13 -4.48 119.66 119.19 1a12 s GLN 71 Ca -0.04 0.25 -0.04 0.00 0.05 0.00 0.00 55.36 55.58 1a12 s GLN 71 Cb 0.12 0.17 0.07 0.00 1.10 0.00 0.00 33.01 34.47 1a12 s GLN 71 CO 0.76 -0.06 0.17 0.00 -0.55 0.00 0.00 175.29 175.61 1a12 s ALA 72 N -0.13 -0.08 -0.04 1.58 0.00 -1.26 -0.04 121.76 121.79 1a12 s ALA 72 Ca -0.03 0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.22 1a12 s ALA 72 Cb -0.03 -1.08 -0.02 0.00 0.00 0.00 0.00 23.12 21.99 1a12 s ALA 72 CO 0.01 -0.97 -0.17 -1.21 0.00 0.00 0.00 175.76 173.42 1a12 s GLU 73 N 2.27 2.39 -0.27 0.00 0.41 0.16 -4.52 118.70 119.14 1a12 s GLU 73 Ca 0.04 -0.76 -0.11 0.00 -0.41 0.00 0.00 54.97 53.74 1a12 s GLU 73 Cb -0.14 -2.29 -0.05 0.00 -1.78 0.00 0.00 34.13 29.87 1a12 s GLU 73 CO -0.09 0.61 0.18 0.00 -0.49 0.00 0.00 175.26 175.46 1a12 s ALA 74 N -0.71 3.50 0.74 5.21 0.00 -1.26 -0.75 121.76 128.49 1a12 s ALA 74 Ca 0.11 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.99 1a12 s ALA 74 Cb -0.10 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.59 1a12 s ALA 74 CO 0.00 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.65 1a12 n GLY 75 N 4.99 -0.23 0.08 0.00 0.00 0.93 -4.32 105.19 106.64 1a12 n GLY 75 Ca -0.14 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.09 -1.99 -0.02 0.00 -0.87 -3.34 103.07 96.76 1a12 h GLY 76 Ca 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.27 1a12 h GLY 76 CO 0.00 -0.03 -0.75 1.03 0.00 0.00 0.00 176.54 176.78 1a12 n MET 77 N -5.07 0.33 -4.03 4.80 2.81 -1.25 -2.21 117.12 112.50 1a12 n MET 77 Ca -0.08 -1.99 -0.10 0.00 -1.81 0.00 0.00 57.70 53.72 1a12 n MET 77 Cb 0.12 -0.48 -0.06 0.00 -0.71 0.00 0.00 33.22 32.09 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 -0.70 0.52 -0.02 2.03 0.00 -1.26 -1.42 115.29 114.45 1a12 s HIS 78 Ca 0.26 -0.86 0.00 0.00 -3.00 0.00 0.00 55.06 51.47 1a12 s HIS 78 Cb 0.28 0.06 0.02 0.00 -4.00 0.00 0.00 32.58 28.94 1a12 s HIS 78 CO -0.10 -0.95 -0.00 0.99 -1.00 0.00 0.00 174.74 173.68 1a12 s THR 79 N -3.99 0.13 -0.10 -5.38 2.01 0.40 -0.05 115.64 108.66 1a12 s THR 79 Ca 0.25 0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.33 1a12 s THR 79 Cb 0.01 -0.19 0.00 0.00 0.01 0.00 0.00 72.50 72.33 1a12 s THR 79 CO 0.10 0.10 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.23 1a12 s VAL 80 N 0.63 1.86 -0.00 3.82 1.01 0.07 -1.90 120.40 125.88 1a12 s VAL 80 Ca -0.06 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.10 1a12 s VAL 80 Cb -0.09 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1a12 s VAL 80 CO -0.01 0.51 -0.23 0.00 0.00 0.00 0.00 175.10 175.37 1a12 s LEU 82 N -0.71 2.38 0.84 0.00 2.96 0.94 -0.42 118.68 124.67 1a12 s LEU 82 Ca 0.09 -0.53 -0.12 0.00 -0.22 0.00 0.00 54.13 53.35 1a12 s LEU 82 Cb -0.09 -1.54 0.10 0.00 0.50 0.00 0.00 46.19 45.15 1a12 s LEU 82 CO -0.00 0.05 1.14 -0.94 -1.32 0.00 0.00 176.35 175.28 1a12 s SER 83 N 1.02 4.17 0.41 3.68 1.04 0.35 0.09 113.70 124.45 1a12 s SER 83 Ca -0.02 0.97 0.15 0.00 0.48 0.00 0.00 55.95 57.53 1a12 s SER 83 Cb -0.15 -1.57 0.88 0.00 0.10 0.00 0.00 66.02 65.29 1a12 s SER 83 CO -0.04 -2.14 1.90 0.50 0.98 0.00 0.00 173.24 174.45 1a12 h LYS 84 N -1.21 0.00 -0.01 4.02 1.63 -1.60 -1.76 116.57 117.65 1a12 h LYS 84 Ca -0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 1a12 h LYS 84 Cb 1.31 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.94 1a12 h LYS 84 CO 0.63 0.28 -0.06 -1.13 -3.45 0.00 0.00 179.45 175.73 1a12 n SER 85 N -4.13 0.87 0.00 4.20 3.41 -1.26 -4.90 113.62 111.81 1a12 n SER 85 Ca -0.02 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 1a12 n SER 85 Cb 0.34 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 1.02 3.69 5.00 0.00 -0.66 -4.77 105.19 110.66 1a12 n GLY 86 Ca 0.18 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1a12 n GLY 86 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a12 s GLN 87 N -0.06 4.13 -0.00 1.61 2.00 -1.26 -1.46 119.66 124.62 1a12 s GLN 87 Ca 0.00 -0.20 -0.20 0.00 -2.00 0.00 0.00 55.36 52.97 1a12 s GLN 87 Cb 0.00 -3.49 -0.05 0.00 0.80 0.00 0.00 33.01 30.26 1a12 s GLN 87 CO 0.00 0.14 0.57 0.08 -0.50 0.00 0.00 175.29 175.59 1a12 s VAL 88 N 0.81 4.92 0.10 1.34 1.01 -1.26 -0.50 120.40 126.81 1a12 s VAL 88 Ca 0.09 1.20 0.10 0.00 0.00 0.00 0.00 61.98 63.37 1a12 s VAL 88 Cb -0.13 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1a12 s VAL 88 CO 0.03 0.43 -0.24 -0.31 0.00 0.00 0.00 175.10 175.01 1a12 s TYR 89 N -0.28 2.10 0.03 5.22 1.51 0.44 -0.79 117.35 125.59 1a12 s TYR 89 Ca 0.30 -0.40 -0.08 0.00 -1.01 0.00 0.00 57.07 55.88 1a12 s TYR 89 Cb -0.18 -1.16 0.00 0.00 -0.11 0.00 0.00 41.96 40.50 1a12 s TYR 89 CO 0.17 0.25 0.17 -1.54 -1.11 0.00 0.00 175.55 173.48 1a12 s SER 90 N -1.84 0.06 -0.11 2.29 1.04 -0.19 -0.37 113.70 114.60 1a12 s SER 90 Ca 0.11 -0.38 -0.29 0.00 0.48 0.00 0.00 55.95 55.87 1a12 s SER 90 Cb -0.10 0.26 0.07 0.00 0.10 0.00 0.00 66.02 66.35 1a12 s SER 90 CO 0.05 -0.52 0.68 0.72 0.98 0.00 0.00 173.24 175.14 1a12 s PHE 91 N -2.42 -0.68 -1.95 5.02 -0.71 -0.80 -1.96 117.98 114.47 1a12 s PHE 91 Ca -0.06 1.33 0.00 0.00 -1.04 0.00 0.00 56.93 57.16 1a12 s PHE 91 Cb -0.02 0.36 0.00 0.00 -1.21 0.00 0.00 43.02 42.15 1a12 s PHE 91 CO -0.03 -0.54 0.00 0.41 -1.34 0.00 0.00 175.22 173.72 1a12 n GLY 92 N 1.43 0.66 3.69 1.99 0.00 -0.19 -0.45 105.19 112.31 1a12 n GLY 92 Ca -0.18 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.35 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 4.99 3.02 0.10 0.00 5.15 -1.26 -4.34 115.26 122.93 1a12 n ASN 94 Ca 0.12 -2.81 0.03 0.00 -0.60 0.00 0.00 54.58 51.32 1a12 n ASN 94 Cb 0.44 -0.41 0.40 0.00 -0.53 0.00 0.00 39.78 39.69 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 1.00 0.27 -0.03 1.20 3.32 -2.00 -2.11 116.42 118.07 1a12 h ASP 95 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1a12 h ASP 95 Cb 1.10 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1a12 h ASP 95 CO 0.09 0.37 -0.03 -0.62 -1.72 0.00 0.00 179.24 177.33 1a12 n GLU 96 N -4.32 2.18 -0.23 3.56 -0.58 -1.26 -4.96 120.64 115.03 1a12 n GLU 96 Ca -0.00 -1.83 0.00 0.00 -0.42 0.00 0.00 57.16 54.91 1a12 n GLU 96 Cb 0.22 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 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 1.32 0.86 0.30 0.62 0.00 -0.79 -3.63 105.19 103.87 1a12 n GLY 97 Ca 0.13 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.30 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 1.54 0.00 4.61 0.00 -1.76 -2.07 119.26 121.58 1a12 h ALA 98 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1a12 h ALA 98 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1a12 h ALA 98 CO 0.00 0.00 -0.47 -0.07 0.00 0.00 0.00 179.25 178.71 1a12 h LEU 99 N 0.00 0.00 1.50 0.00 3.38 -1.89 -3.40 115.31 114.90 1a12 h LEU 99 Ca -0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 1a12 h LEU 99 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1a12 h LEU 99 CO 0.00 0.47 -0.40 0.61 0.09 0.00 0.00 178.44 179.21 1a12 n GLY 100 N 0.86 -0.21 3.37 0.83 0.00 -0.78 -4.73 105.19 104.52 1a12 n GLY 100 Ca 0.01 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 -4.98 1.01 0.01 1.61 1.70 -1.25 -4.50 118.95 112.55 1a12 s ARG 101 Ca 0.08 -0.32 -0.30 0.00 -0.47 0.00 0.00 55.73 54.72 1a12 s ARG 101 Cb -0.04 0.46 -0.05 0.00 -0.57 0.00 0.00 34.95 34.75 1a12 s ARG 101 CO 0.10 -0.37 1.38 0.34 -1.08 0.00 0.00 175.30 175.68 1a12 s ASP 102 N -2.09 6.87 -0.37 -2.89 2.15 -1.26 -4.92 116.67 114.16 1a12 s ASP 102 Ca -0.04 2.10 0.07 0.00 0.43 0.00 0.00 52.55 55.11 1a12 s ASP 102 Cb -0.00 -2.56 0.44 0.00 -0.30 0.00 0.00 42.92 40.49 1a12 s ASP 102 CO -0.03 -0.70 1.13 0.35 -0.17 0.00 0.00 175.17 175.75 1a12 n THR 103 N 4.59 2.33 0.00 1.71 -2.24 -1.26 -4.82 114.28 114.58 1a12 n THR 103 Ca 0.13 -4.53 -0.08 0.00 -2.27 0.00 0.00 64.05 57.30 1a12 n THR 103 Cb 0.44 -1.05 0.08 0.00 -2.10 0.00 0.00 70.33 67.70 1a12 n THR 103 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1a12 h SER 104 N 2.46 0.60 -2.59 3.42 4.64 -1.98 -3.42 113.55 116.67 1a12 h SER 104 Ca 0.29 -0.29 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1a12 h SER 104 Cb 1.17 -0.17 0.02 0.00 -0.31 0.00 0.00 62.40 63.11 1a12 h SER 104 CO 0.78 0.98 1.08 -0.69 -0.87 0.00 0.00 176.83 178.11 1a12 s VAL 105 N -4.12 3.08 0.18 0.95 1.01 -1.26 -4.92 120.40 115.32 1a12 s VAL 105 Ca -0.07 0.38 -0.33 0.00 0.00 0.00 0.00 61.98 61.95 1a12 s VAL 105 Cb 0.12 -3.24 -0.14 0.00 0.00 0.00 0.00 36.38 33.11 1a12 s VAL 105 CO 0.83 -0.01 1.40 1.21 0.00 0.00 0.00 175.10 178.53 1a12 n GLU 106 N 6.31 1.76 -0.06 2.72 2.13 -1.26 -1.71 120.64 130.54 1a12 n GLU 106 Ca 0.17 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1a12 n GLU 106 Cb 0.41 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.83 1a12 n GLU 106 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a12 n GLY 107 N 2.57 2.08 0.29 8.31 0.00 -1.26 -4.88 105.19 112.29 1a12 n GLY 107 Ca 0.15 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.36 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 0.65 1.61 4.64 -1.62 -1.14 113.55 117.69 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 -0.14 -1.84 -0.87 0.00 0.00 176.83 173.98 1a12 n GLU 109 N -2.98 0.25 0.00 4.77 0.00 -1.26 -4.11 120.64 117.31 1a12 n GLU 109 Ca -0.01 -0.07 0.13 0.00 0.00 0.00 0.00 57.16 57.21 1a12 n GLU 109 Cb 0.18 -1.50 0.36 0.00 0.00 0.00 0.00 31.44 30.49 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 -1.31 0.43 -4.29 3.44 2.81 -0.43 -1.02 117.12 116.74 1a12 n MET 110 Ca 0.10 -0.23 -0.17 0.00 -1.81 0.00 0.00 57.70 55.59 1a12 n MET 110 Cb 0.31 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.22 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 -2.73 1.45 0.35 2.03 -7.23 -1.26 -0.78 120.40 112.23 1a12 s VAL 111 Ca 0.19 -2.05 -0.27 0.00 -1.81 0.00 0.00 61.98 58.04 1a12 s VAL 111 Cb 0.19 -1.86 -0.12 0.00 0.56 0.00 0.00 36.38 35.15 1a12 s VAL 111 CO 0.59 -0.61 1.23 -2.65 -0.31 0.00 0.00 175.10 173.36 1a12 n PRO 112 N -0.10 1.96 -3.91 4.82 -0.02 -1.26 -4.62 135.00 131.86 1a12 n PRO 112 Ca -0.10 0.69 -0.10 0.00 -2.02 0.00 0.00 63.50 61.96 1a12 n PRO 112 Cb 0.60 -2.25 -0.09 0.00 -0.02 0.00 0.00 33.50 31.73 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 -0.40 0.13 0.31 -1.23 0.00 -0.83 -4.92 107.32 100.39 1a12 s GLY 113 Ca 0.57 -0.43 -0.28 0.00 0.00 0.00 0.00 44.72 44.58 1a12 s GLY 113 CO 0.61 -0.56 1.06 0.54 0.00 0.00 0.00 173.10 174.75 1a12 s LYS 114 N -2.21 4.55 -0.30 2.90 1.02 -1.26 -1.02 119.74 123.41 1a12 s LYS 114 Ca -0.08 1.66 -0.15 0.00 0.02 0.00 0.00 55.97 57.42 1a12 s LYS 114 Cb -0.03 -3.02 -0.03 0.00 -0.52 0.00 0.00 37.83 34.23 1a12 s LYS 114 CO -0.03 0.17 0.36 0.08 -0.92 0.00 0.00 175.35 175.02 1a12 s VAL 115 N -1.31 5.17 -0.24 3.17 1.01 0.03 -4.77 120.40 123.46 1a12 s VAL 115 Ca 0.48 0.32 -0.26 0.00 0.00 0.00 0.00 61.98 62.51 1a12 s VAL 115 Cb -0.28 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1a12 s VAL 115 CO 0.36 0.05 0.91 -1.61 0.00 0.00 0.00 175.10 174.80 1a12 s GLU 116 N 2.05 4.21 0.01 2.72 0.41 -1.26 -4.39 118.70 122.45 1a12 s GLU 116 Ca 0.13 1.11 -0.00 0.00 -0.41 0.00 0.00 54.97 55.80 1a12 s GLU 116 Cb -0.16 -3.64 -0.01 0.00 -1.78 0.00 0.00 34.13 28.53 1a12 s GLU 116 CO 0.11 -0.56 -0.02 -1.17 -0.49 0.00 0.00 175.26 173.13 1a12 s LEU 117 N 2.98 2.15 0.02 1.80 2.96 -1.26 -4.97 118.68 122.37 1a12 s LEU 117 Ca 0.38 -0.36 -0.24 0.00 -0.22 0.00 0.00 54.13 53.69 1a12 s LEU 117 Cb -0.15 0.09 -0.17 0.00 0.50 0.00 0.00 46.19 46.46 1a12 s LEU 117 CO 0.07 -0.23 1.40 -0.61 -1.32 0.00 0.00 176.35 175.66 1a12 h GLN 118 N 5.02 0.08 -6.90 1.98 5.75 -2.00 -3.45 115.11 115.58 1a12 h GLN 118 Ca -0.30 -0.03 -0.49 0.00 -0.15 0.00 0.00 58.65 57.68 1a12 h GLN 118 Cb 1.21 -0.00 0.03 0.00 1.07 0.00 0.00 27.48 29.78 1a12 h GLN 118 CO 0.43 0.42 0.10 -1.21 -2.65 0.00 0.00 178.83 175.93 1a12 s GLU 119 N -4.73 3.58 0.13 1.69 0.41 -1.26 -5.04 118.70 113.49 1a12 s GLU 119 Ca -0.15 0.23 -0.30 0.00 -0.41 0.00 0.00 54.97 54.34 1a12 s GLU 119 Cb 0.03 -2.39 -0.07 0.00 -1.78 0.00 0.00 34.13 29.92 1a12 s GLU 119 CO 0.69 -0.16 1.24 0.21 -0.49 0.00 0.00 175.26 176.75 1a12 s LYS 120 N -4.56 4.43 -0.04 1.61 2.20 -1.26 -4.94 119.74 117.18 1a12 s LYS 120 Ca 0.48 1.89 -0.14 0.00 -0.36 0.00 0.00 55.97 57.84 1a12 s LYS 120 Cb -0.10 -3.27 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 1a12 s LYS 120 CO 0.42 -0.23 0.36 0.08 -0.36 0.00 0.00 175.35 175.63 1a12 s VAL 121 N 0.56 5.14 -0.19 4.02 1.01 -0.54 -0.96 120.40 129.45 1a12 s VAL 121 Ca 0.57 0.72 0.05 0.00 0.00 0.00 0.00 61.98 63.33 1a12 s VAL 121 Cb -0.33 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 1a12 s VAL 121 CO 0.33 0.55 0.19 1.33 0.00 0.00 0.00 175.10 177.50 1a12 n VAL 122 N 2.12 0.00 -3.60 2.92 0.24 0.14 -4.31 118.33 115.85 1a12 n VAL 122 Ca -0.14 -0.34 -0.15 0.00 -2.04 0.00 0.00 64.34 61.67 1a12 n VAL 122 Cb 0.53 0.89 -0.07 0.00 -1.47 0.00 0.00 33.84 33.72 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 -1.62 0.91 0.28 7.34 0.74 -1.18 -4.49 119.66 121.64 1a12 s GLN 123 Ca 0.01 0.78 0.08 0.00 0.05 0.00 0.00 55.36 56.28 1a12 s GLN 123 Cb 0.04 0.44 -0.06 0.00 1.10 0.00 0.00 33.01 34.53 1a12 s GLN 123 CO 0.20 -0.17 -0.09 0.14 -0.55 0.00 0.00 175.29 174.82 1a12 s VAL 124 N -0.09 1.86 0.06 1.34 -7.23 -1.26 -0.29 120.40 114.78 1a12 s VAL 124 Ca -0.03 -2.18 -0.06 0.00 -1.81 0.00 0.00 61.98 57.90 1a12 s VAL 124 Cb -0.04 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.47 1a12 s VAL 124 CO 0.04 -0.33 0.10 -0.94 -0.31 0.00 0.00 175.10 173.66 1a12 s SER 125 N -3.47 0.22 -0.03 4.85 1.04 -0.14 -4.94 113.70 111.23 1a12 s SER 125 Ca 0.29 -0.66 -0.02 0.00 0.48 0.00 0.00 55.95 56.04 1a12 s SER 125 Cb 0.02 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.41 1a12 s SER 125 CO 0.13 -0.60 0.07 0.00 0.98 0.00 0.00 173.24 173.82 1a12 s ALA 126 N -3.28 -0.15 0.00 5.32 0.00 -1.26 -1.08 121.76 121.31 1a12 s ALA 126 Ca 0.01 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1a12 s ALA 126 Cb 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1a12 s ALA 126 CO -0.08 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1a12 n GLY 127 N 3.26 5.28 0.21 0.00 0.00 -0.33 -4.59 105.19 109.04 1a12 n GLY 127 Ca -0.15 -1.97 -0.08 0.00 0.00 0.00 0.00 46.02 43.82 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 0.62 0.00 1.61 3.58 -0.96 0.67 116.42 121.94 1a12 h ASP 128 Ca 0.00 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.33 1a12 h ASP 128 Cb 0.00 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.89 1a12 h ASP 128 CO 0.00 0.57 -0.44 -1.20 -2.88 0.00 0.00 179.24 175.28 1a12 n SER 129 N -4.63 0.05 -4.27 2.28 7.64 -1.26 -3.39 113.62 110.03 1a12 n SER 129 Ca 0.02 -1.93 -0.15 0.00 1.01 0.00 0.00 58.87 57.82 1a12 n SER 129 Cb 0.11 -0.19 -0.10 0.00 -1.01 0.00 0.00 64.21 63.02 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 -0.05 1.35 -0.04 1.43 -3.43 -1.24 -1.08 115.29 112.23 1a12 s HIS 130 Ca 0.01 -1.06 -0.06 0.00 -0.80 0.00 0.00 55.06 53.15 1a12 s HIS 130 Cb 0.01 -0.78 0.01 0.00 -1.43 0.00 0.00 32.58 30.39 1a12 s HIS 130 CO 0.00 -0.23 0.15 0.99 -2.00 0.00 0.00 174.74 173.65 1a12 s THR 131 N -3.66 0.02 0.11 -5.38 2.01 -0.33 -1.18 115.64 107.22 1a12 s THR 131 Ca 0.29 -0.17 0.07 0.00 0.31 0.00 0.00 61.69 62.18 1a12 s THR 131 Cb 0.07 -0.28 -0.03 0.00 0.01 0.00 0.00 72.50 72.26 1a12 s THR 131 CO 0.08 -0.09 -0.16 0.00 -0.69 0.00 0.00 174.62 173.75 1a12 s ALA 132 N -0.28 1.54 -0.01 7.40 0.00 -0.24 -1.37 121.76 128.80 1a12 s ALA 132 Ca -0.04 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 50.71 1a12 s ALA 132 Cb -0.03 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1a12 s ALA 132 CO 0.01 0.20 -0.02 0.00 0.00 0.00 0.00 175.76 175.95 1a12 s ALA 133 N -1.63 0.26 -0.23 0.00 0.00 0.17 -0.97 121.76 119.36 1a12 s ALA 133 Ca 0.06 -0.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.92 1a12 s ALA 133 Cb -0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 1a12 s ALA 133 CO 0.04 0.02 0.05 -1.17 0.00 0.00 0.00 175.76 174.70 1a12 s LEU 134 N 0.26 3.45 0.83 0.00 2.96 0.60 -0.43 118.68 126.34 1a12 s LEU 134 Ca -0.02 -0.17 -0.12 0.00 -0.22 0.00 0.00 54.13 53.59 1a12 s LEU 134 Cb -0.05 -1.91 0.09 0.00 0.50 0.00 0.00 46.19 44.83 1a12 s LEU 134 CO -0.01 0.01 1.19 0.42 -1.32 0.00 0.00 176.35 176.65 1a12 s THR 135 N 1.31 2.00 -1.01 3.68 -4.23 0.18 -0.68 115.64 116.89 1a12 s THR 135 Ca 0.05 0.00 0.18 0.00 -1.18 0.00 0.00 61.69 60.74 1a12 s THR 135 Cb -0.15 -3.00 0.16 0.00 1.34 0.00 0.00 72.50 70.85 1a12 s THR 135 CO 0.03 0.00 1.58 -0.90 -0.54 0.00 0.00 174.62 174.79 1a12 n ASP 136 N -3.37 0.00 -1.27 3.99 5.75 -0.13 -0.87 116.55 120.66 1a12 n ASP 136 Ca 0.09 0.49 0.06 0.00 -0.01 0.00 0.00 54.79 55.42 1a12 n ASP 136 Cb 0.61 -0.49 0.30 0.00 -1.03 0.00 0.00 41.12 40.51 1a12 n ASP 136 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1a12 n ASP 137 N -1.49 4.40 0.00 -1.12 5.68 -1.26 -0.01 116.55 122.75 1a12 n ASP 137 Ca 0.05 -3.05 0.00 0.00 -0.50 0.00 0.00 54.79 51.28 1a12 n ASP 137 Cb 0.21 -0.61 0.00 0.00 -1.14 0.00 0.00 41.12 39.59 1a12 n ASP 137 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a12 n GLY 138 N -0.21 0.38 3.86 6.12 0.00 -0.05 -4.77 105.19 110.51 1a12 n GLY 138 Ca 0.25 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.16 3.83 -0.17 1.61 0.52 -1.26 -1.19 118.95 120.13 1a12 s ARG 139 Ca 0.00 0.28 -0.04 0.00 -0.52 0.00 0.00 55.73 55.45 1a12 s ARG 139 Cb 0.00 -3.05 -0.02 0.00 0.52 0.00 0.00 34.95 32.40 1a12 s ARG 139 CO 0.00 0.59 -0.04 0.08 0.02 0.00 0.00 175.30 175.95 1a12 s VAL 140 N -1.32 3.82 0.00 3.52 1.01 -1.26 -0.65 120.40 125.52 1a12 s VAL 140 Ca 0.31 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.95 1a12 s VAL 140 Cb -0.15 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 1a12 s VAL 140 CO 0.17 0.48 -0.09 -0.36 0.00 0.00 0.00 175.10 175.30 1a12 s PHE 141 N 0.57 2.83 0.00 5.22 0.40 0.43 -0.60 117.98 126.83 1a12 s PHE 141 Ca -0.03 -0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.24 1a12 s PHE 141 Cb -0.14 -1.59 -0.00 0.00 0.51 0.00 0.00 43.02 41.79 1a12 s PHE 141 CO 0.03 0.34 -0.02 -1.17 0.70 0.00 0.00 175.22 175.10 1a12 s LEU 142 N -1.36 2.03 0.11 -0.37 2.96 0.28 -0.66 118.68 121.67 1a12 s LEU 142 Ca 0.16 -0.08 -0.09 0.00 -0.22 0.00 0.00 54.13 53.89 1a12 s LEU 142 Cb -0.11 -0.10 0.00 0.00 0.50 0.00 0.00 46.19 46.48 1a12 s LEU 142 CO 0.07 0.00 0.24 -1.66 -1.32 0.00 0.00 176.35 173.67 1a12 s TRP 143 N -0.18 0.18 0.00 5.38 -2.14 -0.47 -1.04 118.94 120.67 1a12 s TRP 143 Ca -0.00 -0.59 0.00 0.00 2.66 0.00 0.00 56.10 58.17 1a12 s TRP 143 Cb -0.02 -0.03 0.00 0.00 -3.10 0.00 0.00 33.47 30.33 1a12 s TRP 143 CO -0.00 -0.61 0.00 0.41 -2.66 0.00 0.00 176.95 174.09 1a12 n GLY 144 N -0.12 0.79 3.56 3.67 0.00 0.33 -1.19 105.19 112.23 1a12 n GLY 144 Ca -0.13 -1.70 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.23 0.16 1.61 1.04 -0.24 -1.23 113.70 110.81 1a12 s SER 145 Ca 0.00 -0.56 0.08 0.00 0.48 0.00 0.00 55.95 55.95 1a12 s SER 145 Cb 0.00 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 1a12 s SER 145 CO 0.00 -1.09 -0.09 -0.36 0.98 0.00 0.00 173.24 172.68 1a12 s PHE 146 N -3.90 2.68 0.12 5.02 0.08 -0.20 -3.68 117.98 118.11 1a12 s PHE 146 Ca 0.11 -0.20 -0.05 0.00 0.12 0.00 0.00 56.93 56.92 1a12 s PHE 146 Cb -0.01 -1.34 -0.02 0.00 -0.57 0.00 0.00 43.02 41.08 1a12 s PHE 146 CO -0.00 0.48 0.14 -0.98 -0.10 0.00 0.00 175.22 174.76 1a12 s ARG 147 N -2.64 0.95 0.45 0.44 1.70 -1.26 -1.06 118.95 117.52 1a12 s ARG 147 Ca 0.24 -1.26 0.03 0.00 -0.47 0.00 0.00 55.73 54.27 1a12 s ARG 147 Cb -0.10 0.30 -0.01 0.00 -0.57 0.00 0.00 34.95 34.57 1a12 s ARG 147 CO 0.15 -0.29 0.10 -0.40 -1.08 0.00 0.00 175.30 173.78 1a12 n ASP 148 N -0.10 1.92 -0.15 -2.89 5.75 -0.80 -4.80 116.55 115.48 1a12 n ASP 148 Ca -0.09 -3.23 0.04 0.00 -0.01 0.00 0.00 54.79 51.51 1a12 n ASP 148 Cb 0.63 0.84 0.35 0.00 -1.03 0.00 0.00 41.12 41.90 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 1.53 0.66 0.56 -1.12 2.35 -2.01 -3.06 115.58 114.49 1a12 h ASN 149 Ca -0.36 -0.01 -0.29 0.00 -0.55 0.00 0.00 56.30 55.10 1a12 h ASN 149 Cb 1.26 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 39.48 1a12 h ASN 149 CO 0.58 0.45 -1.36 0.78 -1.65 0.00 0.00 177.43 176.23 1a12 h ASN 150 N 0.77 0.39 0.00 5.81 2.35 -2.04 -3.50 115.58 119.36 1a12 h ASN 150 Ca 0.26 -0.47 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1a12 h ASN 150 Cb 0.09 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1a12 h ASN 150 CO -0.07 1.38 0.00 0.61 -1.65 0.00 0.00 177.43 177.69 1a12 n GLY 151 N 1.58 -1.44 3.78 2.83 0.00 -1.16 -5.13 105.19 105.65 1a12 n GLY 151 Ca -0.12 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.86 2.29 -0.27 1.61 1.01 -1.26 -1.91 120.40 119.02 1a12 s VAL 152 Ca 0.00 0.30 0.07 0.00 0.00 0.00 0.00 61.98 62.34 1a12 s VAL 152 Cb 0.00 -3.19 -0.08 0.00 0.00 0.00 0.00 36.38 33.11 1a12 s VAL 152 CO 0.00 0.07 0.27 2.30 0.00 0.00 0.00 175.10 177.74 1a12 n ILE 153 N 0.55 0.00 0.00 2.22 -5.35 -0.22 -4.85 119.36 111.70 1a12 n ILE 153 Ca 0.01 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 1a12 n ILE 153 Cb 0.40 0.90 0.00 0.00 -1.74 0.00 0.00 39.64 39.20 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 1.30 -0.09 0.65 3.28 0.00 -1.21 -0.36 105.19 108.76 1a12 n GLY 154 Ca 0.01 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.00 0.99 7.94 -0.77 -1.03 117.00 124.13 1a12 n LEU 155 Ca 0.00 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.97 1a12 n LEU 155 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 1a12 n LEU 155 CO 0.00 -0.21 -0.41 0.18 -1.11 0.00 0.00 177.39 175.84 1a12 n LEU 156 N -1.64 0.27 -4.22 -1.96 4.77 -1.26 -4.79 117.00 108.17 1a12 n LEU 156 Ca 0.00 -0.21 -0.18 0.00 -0.03 0.00 0.00 56.01 55.59 1a12 n LEU 156 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1a12 n LEU 156 CO 0.00 0.07 -0.45 -1.61 -1.33 0.00 0.00 177.39 174.06 1a12 s GLU 157 N -2.71 0.96 0.15 3.23 2.02 -1.26 -4.58 118.70 116.51 1a12 s GLU 157 Ca -0.01 -1.15 -0.32 0.00 0.02 0.00 0.00 54.97 53.50 1a12 s GLU 157 Cb 0.10 -0.89 -0.12 0.00 0.10 0.00 0.00 34.13 33.32 1a12 s GLU 157 CO 0.58 0.18 1.73 -2.30 0.02 0.00 0.00 175.26 175.47 1a12 n PRO 158 N 0.77 2.57 -0.75 0.39 -0.02 -1.26 -2.67 135.00 134.03 1a12 n PRO 158 Ca -0.17 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1a12 n PRO 158 Cb 0.56 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 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 4.48 0.00 -3.97 -0.52 2.81 0.51 -4.87 117.12 115.57 1a12 n MET 159 Ca 0.17 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.71 1a12 n MET 159 Cb 0.34 -3.00 -0.12 0.00 -0.71 0.00 0.00 33.22 29.73 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 -0.26 3.69 0.92 0.03 1.02 -1.09 -4.57 119.74 119.47 1a12 s LYS 160 Ca 0.00 -0.48 -0.13 0.00 0.02 0.00 0.00 55.97 55.38 1a12 s LYS 160 Cb 0.00 -3.18 0.15 0.00 -0.52 0.00 0.00 37.83 34.28 1a12 s LYS 160 CO 0.00 -0.01 1.16 -1.59 -0.92 0.00 0.00 175.35 173.99 1a12 s LYS 161 N 1.09 1.04 -0.08 1.68 -2.85 -1.26 -1.84 119.74 117.51 1a12 s LYS 161 Ca 0.03 0.19 0.01 0.00 -1.00 0.00 0.00 55.97 55.21 1a12 s LYS 161 Cb -0.14 -1.84 0.02 0.00 -2.06 0.00 0.00 37.83 33.81 1a12 s LYS 161 CO 0.02 -2.24 -0.11 0.45 0.10 0.00 0.00 175.35 173.57 1a12 s SER 162 N -4.15 1.93 0.40 0.03 0.15 -0.36 -4.90 113.70 106.81 1a12 s SER 162 Ca 0.65 -0.31 0.21 0.00 0.70 0.00 0.00 55.95 57.20 1a12 s SER 162 Cb -0.13 -0.84 0.33 0.00 -1.71 0.00 0.00 66.02 63.66 1a12 s SER 162 CO 0.53 -0.02 1.59 0.24 1.20 0.00 0.00 173.24 176.78 1a12 h MET 163 N 7.40 0.00 -6.30 5.44 0.00 -1.84 0.96 114.93 120.59 1a12 h MET 163 Ca -0.31 0.00 -0.65 0.00 0.00 0.00 0.00 59.70 58.74 1a12 h MET 163 Cb 1.17 0.00 -0.12 0.00 0.00 0.00 0.00 31.60 32.64 1a12 h MET 163 CO 0.46 0.15 -0.66 0.14 0.00 0.00 0.00 176.91 177.00 1a12 s VAL 164 N -3.17 4.05 0.18 -2.22 -7.23 -1.26 -3.93 120.40 106.82 1a12 s VAL 164 Ca 0.06 -0.89 -0.32 0.00 -1.81 0.00 0.00 61.98 59.01 1a12 s VAL 164 Cb 0.06 -2.90 -0.12 0.00 0.56 0.00 0.00 36.38 33.98 1a12 s VAL 164 CO 0.68 0.18 1.75 -2.65 -0.31 0.00 0.00 175.10 174.76 1a12 n PRO 165 N 0.76 2.77 -5.06 4.82 -0.02 -1.26 -4.64 135.00 132.36 1a12 n PRO 165 Ca -0.12 1.00 -0.28 0.00 -2.02 0.00 0.00 63.50 62.08 1a12 n PRO 165 Cb 0.52 -2.86 -0.16 0.00 -0.02 0.00 0.00 33.50 30.98 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 1.59 1.73 0.04 -1.45 1.01 -0.21 -4.89 120.40 118.22 1a12 s VAL 166 Ca 0.77 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 1a12 s VAL 166 Cb -0.50 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 1a12 s VAL 166 CO 0.34 0.49 1.17 -1.58 0.00 0.00 0.00 175.10 175.52 1a12 s GLN 167 N -0.32 4.44 0.12 2.72 0.74 -1.26 -0.56 119.66 125.54 1a12 s GLN 167 Ca 0.03 1.71 -0.30 0.00 0.05 0.00 0.00 55.36 56.86 1a12 s GLN 167 Cb -0.10 -3.38 -0.07 0.00 1.10 0.00 0.00 33.01 30.56 1a12 s GLN 167 CO 0.01 -0.25 1.14 0.08 -0.55 0.00 0.00 175.29 175.72 1a12 s VAL 168 N 1.16 3.97 -0.67 1.34 1.01 0.23 -4.95 120.40 122.50 1a12 s VAL 168 Ca 0.58 1.55 -0.27 0.00 0.00 0.00 0.00 61.98 63.84 1a12 s VAL 168 Cb -0.28 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.13 1a12 s VAL 168 CO 0.28 0.20 1.35 -1.10 0.00 0.00 0.00 175.10 175.84 1a12 s GLN 169 N 0.31 3.20 0.03 2.72 -1.52 -1.26 -4.69 119.66 118.45 1a12 s GLN 169 Ca 0.54 0.07 -0.01 0.00 -1.95 0.00 0.00 55.36 54.00 1a12 s GLN 169 Cb -0.29 -4.16 -0.03 0.00 -0.22 0.00 0.00 33.01 28.31 1a12 s GLN 169 CO 0.32 -2.09 -0.01 -0.51 -0.25 0.00 0.00 175.29 172.75 1a12 s LEU 170 N 6.03 2.28 0.00 2.90 1.43 -1.26 -4.75 118.68 125.31 1a12 s LEU 170 Ca 0.43 -0.70 0.18 0.00 -1.03 0.00 0.00 54.13 53.01 1a12 s LEU 170 Cb -0.09 0.21 0.42 0.00 0.03 0.00 0.00 46.19 46.75 1a12 s LEU 170 CO 0.19 -0.45 1.34 -0.90 0.23 0.00 0.00 176.35 176.76 1a12 n ASP 171 N 0.90 3.29 -3.87 2.29 5.75 -1.26 -4.95 116.55 118.69 1a12 n ASP 171 Ca -0.19 -1.94 -0.12 0.00 -0.01 0.00 0.00 54.79 52.53 1a12 n ASP 171 Cb 0.58 -0.29 -0.14 0.00 -1.03 0.00 0.00 41.12 40.24 1a12 n ASP 171 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1a12 s VAL 172 N -1.14 0.00 0.32 2.12 0.11 -1.26 -5.13 120.40 115.43 1a12 s VAL 172 Ca 0.34 -0.03 -0.29 0.00 -2.93 0.00 0.00 61.98 59.07 1a12 s VAL 172 Cb 0.19 -0.03 -0.11 0.00 -1.53 0.00 0.00 36.38 34.90 1a12 s VAL 172 CO 0.25 -0.02 1.57 -2.84 -3.33 0.00 0.00 175.10 170.74 1a12 s PRO 173 N -0.05 4.11 -0.08 1.54 0.02 -1.26 -4.92 135.00 134.35 1a12 s PRO 173 Ca -0.01 2.60 -0.08 0.00 0.02 0.00 0.00 61.00 63.53 1a12 s PRO 173 Cb -0.00 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.47 1a12 s PRO 173 CO -0.00 -0.62 0.21 0.08 -0.33 0.00 0.00 177.00 176.35 1a12 s VAL 174 N -0.39 5.38 -0.27 3.83 1.01 -0.34 -1.14 120.40 128.48 1a12 s VAL 174 Ca 0.60 0.32 0.13 0.00 0.00 0.00 0.00 61.98 63.03 1a12 s VAL 174 Cb -0.48 -3.49 -0.18 0.00 0.00 0.00 0.00 36.38 32.24 1a12 s VAL 174 CO 0.54 0.57 0.40 1.33 0.00 0.00 0.00 175.10 177.93 1a12 n VAL 175 N 1.80 0.00 -3.73 2.92 0.24 0.29 -4.35 118.33 115.51 1a12 n VAL 175 Ca -0.17 -0.26 -0.12 0.00 -2.04 0.00 0.00 64.34 61.75 1a12 n VAL 175 Cb 0.54 0.55 -0.10 0.00 -1.47 0.00 0.00 33.84 33.36 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 -2.60 0.44 0.04 7.34 2.20 -1.14 -4.62 119.74 121.40 1a12 s LYS 176 Ca -0.01 0.61 0.06 0.00 -0.36 0.00 0.00 55.97 56.27 1a12 s LYS 176 Cb 0.09 0.15 -0.03 0.00 -1.51 0.00 0.00 37.83 36.53 1a12 s LYS 176 CO 0.54 -0.08 -0.14 0.14 -0.36 0.00 0.00 175.35 175.45 1a12 s VAL 177 N 0.54 3.11 -0.04 4.02 -7.23 -1.26 -0.90 120.40 118.64 1a12 s VAL 177 Ca -0.03 -1.07 -0.08 0.00 -1.81 0.00 0.00 61.98 58.99 1a12 s VAL 177 Cb -0.04 -2.34 0.01 0.00 0.56 0.00 0.00 36.38 34.57 1a12 s VAL 177 CO -0.03 0.33 0.19 0.00 -0.31 0.00 0.00 175.10 175.28 1a12 s ALA 178 N -0.98 -0.46 0.01 1.32 0.00 -0.67 -4.81 121.76 116.16 1a12 s ALA 178 Ca 0.16 0.28 0.07 0.00 0.00 0.00 0.00 51.96 52.48 1a12 s ALA 178 Cb -0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 1a12 s ALA 178 CO 0.07 -0.15 -0.23 -1.12 0.00 0.00 0.00 175.76 174.33 1a12 s SER 179 N -0.59 2.69 0.10 0.00 0.01 -1.26 -0.74 113.70 113.90 1a12 s SER 179 Ca -0.07 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.72 1a12 s SER 179 Cb -0.04 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.92 1a12 s SER 179 CO 0.01 0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.51 1a12 n GLY 180 N 2.19 1.54 0.36 3.44 0.00 -0.33 -4.68 105.19 107.70 1a12 n GLY 180 Ca -0.16 -2.05 -0.02 0.00 0.00 0.00 0.00 46.02 43.79 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 1.07 -0.18 1.61 4.21 -1.00 -3.34 115.58 117.95 1a12 h ASN 181 Ca 0.00 -0.02 -0.20 0.00 1.21 0.00 0.00 56.30 57.29 1a12 h ASN 181 Cb 0.00 -0.26 -0.37 0.00 -1.12 0.00 0.00 38.32 36.57 1a12 h ASN 181 CO 0.00 0.76 -0.99 0.47 -1.29 0.00 0.00 177.43 176.39 1a12 n ASP 182 N -4.44 0.98 -3.77 5.81 8.00 -1.26 -0.48 116.55 121.38 1a12 n ASP 182 Ca 0.11 -2.02 -0.11 0.00 0.71 0.00 0.00 54.79 53.48 1a12 n ASP 182 Cb 0.03 -0.28 -0.07 0.00 -0.02 0.00 0.00 41.12 40.77 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 -1.56 -0.06 -0.07 1.24 -3.43 -1.25 -0.25 115.29 109.91 1a12 s HIS 183 Ca 0.28 -0.12 0.04 0.00 -0.80 0.00 0.00 55.06 54.46 1a12 s HIS 183 Cb 0.34 0.07 0.00 0.00 -1.43 0.00 0.00 32.58 31.56 1a12 s HIS 183 CO -0.10 -0.51 -0.19 -1.17 -2.00 0.00 0.00 174.74 170.77 1a12 s LEU 184 N -2.17 1.92 0.03 5.38 2.96 -0.13 -1.19 118.68 125.49 1a12 s LEU 184 Ca -0.04 -0.42 0.09 0.00 -0.22 0.00 0.00 54.13 53.54 1a12 s LEU 184 Cb -0.00 -1.12 -0.03 0.00 0.50 0.00 0.00 46.19 45.54 1a12 s LEU 184 CO -0.04 0.14 -0.25 0.68 -1.32 0.00 0.00 176.35 175.55 1a12 s VAL 185 N 0.24 2.21 -0.12 1.68 -7.23 0.08 -1.73 120.40 115.53 1a12 s VAL 185 Ca -0.10 -1.30 -0.02 0.00 -1.81 0.00 0.00 61.98 58.75 1a12 s VAL 185 Cb -0.15 -1.85 0.04 0.00 0.56 0.00 0.00 36.38 34.98 1a12 s VAL 185 CO 0.05 0.41 -0.00 -0.04 -0.31 0.00 0.00 175.10 175.21 1a12 s MET 186 N -1.13 0.78 -0.27 4.82 -1.94 0.34 -1.68 119.30 120.22 1a12 s MET 186 Ca 0.12 -0.13 -0.14 0.00 -1.71 0.00 0.00 55.69 53.83 1a12 s MET 186 Cb -0.10 -1.45 -0.04 0.00 2.01 0.00 0.00 34.83 35.25 1a12 s MET 186 CO 0.02 -0.41 0.32 -1.17 -0.01 0.00 0.00 175.02 173.77 1a12 s LEU 187 N 1.89 4.04 0.69 -0.03 2.96 -0.08 -0.90 118.68 127.25 1a12 s LEU 187 Ca 0.03 0.20 -0.11 0.00 -0.22 0.00 0.00 54.13 54.03 1a12 s LEU 187 Cb -0.14 -2.34 0.01 0.00 0.50 0.00 0.00 46.19 44.22 1a12 s LEU 187 CO -0.07 -0.15 1.07 0.42 -1.32 0.00 0.00 176.35 176.30 1a12 s THR 188 N 1.98 3.53 0.57 3.68 -4.23 0.21 -0.55 115.64 120.84 1a12 s THR 188 Ca 0.13 0.42 0.26 0.00 -1.18 0.00 0.00 61.69 61.32 1a12 s THR 188 Cb -0.16 -3.48 0.34 0.00 1.34 0.00 0.00 72.50 70.54 1a12 s THR 188 CO 0.10 -0.62 2.20 0.00 -0.54 0.00 0.00 174.62 175.76 1a12 h ALA 189 N -0.58 1.72 -0.06 3.99 0.00 -1.45 -0.90 119.26 121.97 1a12 h ALA 189 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1a12 h ALA 189 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1a12 h ALA 189 CO 0.63 -0.07 0.00 -0.25 0.00 0.00 0.00 179.25 179.57 1a12 n ASP 190 N -4.03 1.07 0.00 0.00 8.00 -1.26 -4.92 116.55 115.41 1a12 n ASP 190 Ca -0.02 -1.48 0.00 0.00 0.71 0.00 0.00 54.79 54.00 1a12 n ASP 190 Cb 0.14 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 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 1.07 0.69 3.79 0.44 0.00 -0.34 -4.84 105.19 106.01 1a12 n GLY 191 Ca 0.18 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.12 7.23 -0.32 1.61 1.01 -1.26 -0.19 116.67 122.63 1a12 s ASP 192 Ca 0.00 1.58 -0.08 0.00 0.71 0.00 0.00 52.55 54.77 1a12 s ASP 192 Cb 0.00 -2.48 0.02 0.00 1.01 0.00 0.00 42.92 41.47 1a12 s ASP 192 CO 0.00 0.07 0.11 -0.22 0.21 0.00 0.00 175.17 175.34 1a12 s LEU 193 N -1.71 4.09 -0.13 1.23 2.96 -1.26 -0.62 118.68 123.24 1a12 s LEU 193 Ca 0.42 -0.82 -0.06 0.00 -0.22 0.00 0.00 54.13 53.45 1a12 s LEU 193 Cb -0.19 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 1a12 s LEU 193 CO 0.23 -0.25 0.08 -0.31 -1.32 0.00 0.00 176.35 174.79 1a12 s TYR 194 N 1.50 3.38 0.06 5.38 1.51 -0.08 -1.07 117.35 128.02 1a12 s TYR 194 Ca 0.02 0.31 0.04 0.00 -1.01 0.00 0.00 57.07 56.43 1a12 s TYR 194 Cb -0.18 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.69 1a12 s TYR 194 CO 0.03 0.49 -0.13 0.95 -1.11 0.00 0.00 175.55 175.78 1a12 s THR 195 N -0.54 1.00 0.09 -0.71 -4.23 -0.31 -0.51 115.64 110.44 1a12 s THR 195 Ca 0.11 -1.20 -0.19 0.00 -1.18 0.00 0.00 61.69 59.22 1a12 s THR 195 Cb -0.12 -0.97 0.05 0.00 1.34 0.00 0.00 72.50 72.80 1a12 s THR 195 CO 0.02 -0.22 0.47 -1.48 -0.54 0.00 0.00 174.62 172.87 1a12 s LEU 196 N -1.60 0.11 0.00 4.79 0.05 -0.71 -3.01 118.68 118.32 1a12 s LEU 196 Ca -0.03 -0.07 0.00 0.00 0.05 0.00 0.00 54.13 54.08 1a12 s LEU 196 Cb -0.10 2.03 0.00 0.00 -2.05 0.00 0.00 46.19 46.07 1a12 s LEU 196 CO 0.02 -0.80 0.00 0.61 -0.55 0.00 0.00 176.35 175.63 1a12 n GLY 197 N 0.06 0.31 3.73 -3.48 0.00 -0.22 -0.95 105.19 104.64 1a12 n GLY 197 Ca -0.17 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.40 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 2.55 4.42 0.24 0.00 0.00 -1.26 -4.45 105.19 106.69 1a12 n GLY 199 Ca 0.07 -1.06 0.04 0.00 0.00 0.00 0.00 46.02 45.07 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 0.24 0.15 -0.28 1.61 4.81 -1.91 -0.69 114.58 118.51 1a12 h GLU 200 Ca -0.01 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1a12 h GLU 200 Cb 1.06 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1a12 h GLU 200 CO 0.00 0.26 0.00 1.04 -0.73 0.00 0.00 179.01 179.59 1a12 n GLN 201 N -4.34 2.09 -0.36 1.92 1.13 -1.26 -4.88 117.38 111.69 1a12 n GLN 201 Ca -0.01 -1.94 0.00 0.00 -1.94 0.00 0.00 57.00 53.11 1a12 n GLN 201 Cb 0.22 -1.38 0.00 0.00 0.11 0.00 0.00 30.24 29.20 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 1.04 0.80 0.08 1.08 0.00 -0.27 -3.15 105.19 104.77 1a12 n GLY 202 Ca 0.14 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.36 0.15 0.11 1.61 0.00 -1.26 -1.49 117.38 114.15 1a12 n GLN 203 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 57.00 57.25 1a12 n GLN 203 Cb 0.00 -1.72 -0.01 0.00 0.00 0.00 0.00 30.24 28.51 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 0.65 2.61 3.38 -1.84 -3.42 115.31 116.69 1a12 h LEU 204 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1a12 h LEU 204 Cb 0.50 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 1a12 h LEU 204 CO 0.00 0.61 -0.19 0.61 0.09 0.00 0.00 178.44 179.55 1a12 n GLY 205 N 1.27 0.88 0.19 0.83 0.00 -0.55 -4.75 105.19 103.04 1a12 n GLY 205 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.55 0.00 -4.44 1.61 1.85 -1.25 -4.47 116.66 107.40 1a12 n ARG 206 Ca -0.10 -0.21 -0.24 0.00 -1.00 0.00 0.00 57.85 56.29 1a12 n ARG 206 Cb 0.37 -0.16 -0.17 0.00 -1.05 0.00 0.00 32.46 31.46 1a12 n ARG 206 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1a12 s VAL 207 N 0.00 1.03 0.85 8.89 1.01 -1.26 -5.05 120.40 125.86 1a12 s VAL 207 Ca 0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 1a12 s VAL 207 Cb 0.00 -0.97 0.10 0.00 0.00 0.00 0.00 36.38 35.52 1a12 s VAL 207 CO 0.00 0.34 1.14 -2.84 0.00 0.00 0.00 175.10 173.74 1a12 s PRO 208 N 0.83 1.53 0.47 2.72 0.02 -1.26 -4.72 135.00 134.60 1a12 s PRO 208 Ca -0.12 1.49 0.14 0.00 0.02 0.00 0.00 61.00 62.54 1a12 s PRO 208 Cb -0.15 -1.79 1.12 0.00 0.02 0.00 0.00 34.50 33.69 1a12 s PRO 208 CO 0.02 -2.24 2.07 1.49 -0.33 0.00 0.00 177.00 178.00 1a12 h GLU 209 N -1.40 0.24 -0.93 5.54 4.81 -1.96 0.19 114.58 121.06 1a12 h GLU 209 Ca -0.44 -0.01 0.25 0.00 -0.13 0.00 0.00 59.36 59.02 1a12 h GLU 209 Cb 1.26 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.54 1a12 h GLU 209 CO 0.45 0.16 0.65 -0.07 -0.73 0.00 0.00 179.01 179.47 1a12 h LEU 210 N 0.25 0.18 -3.47 1.64 4.07 -2.01 0.19 115.31 116.17 1a12 h LEU 210 Ca 0.13 0.02 -0.09 0.00 0.08 0.00 0.00 57.88 58.03 1a12 h LEU 210 Cb 0.22 -0.01 -0.06 0.00 1.08 0.00 0.00 40.66 41.90 1a12 h LEU 210 CO -0.03 0.06 0.08 0.49 -1.08 0.00 0.00 178.44 177.96 1a12 n PHE 211 N -4.38 1.60 -0.13 1.13 3.72 0.05 -4.49 117.46 114.95 1a12 n PHE 211 Ca 0.20 -1.06 -0.11 0.00 -0.05 0.00 0.00 57.45 56.43 1a12 n PHE 211 Cb 0.89 -0.49 0.02 0.00 -0.94 0.00 0.00 39.48 38.96 1a12 n PHE 211 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a12 h ALA 212 N 2.27 0.71 -1.83 4.37 0.00 -0.98 -3.04 119.26 120.75 1a12 h ALA 212 Ca 0.11 -0.40 -0.74 0.00 0.00 0.00 0.00 54.91 53.88 1a12 h ALA 212 Cb 1.83 -0.15 -0.19 0.00 0.00 0.00 0.00 17.79 19.28 1a12 h ALA 212 CO 0.45 0.67 1.16 1.21 0.00 0.00 0.00 179.25 182.74 1a12 s ASN 213 N -6.76 7.01 0.00 0.00 2.47 -1.26 -3.90 114.94 112.50 1a12 s ASN 213 Ca -0.11 -2.88 0.00 0.00 0.42 0.00 0.00 52.86 50.29 1a12 s ASN 213 Cb 0.12 -2.38 0.00 0.00 -1.45 0.00 0.00 41.25 37.54 1a12 s ASN 213 CO 0.87 -0.76 0.00 0.54 -3.72 0.00 0.00 177.10 174.03 1a12 n ARG 214 N 5.52 0.00 -0.99 0.43 1.74 -1.26 -3.12 116.66 118.98 1a12 n ARG 214 Ca 0.33 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 1a12 n ARG 214 Cb 0.44 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 29.92 1a12 n ARG 214 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a12 n GLY 215 N -2.35 0.66 7.00 -0.13 0.00 -1.15 -3.10 105.19 106.13 1a12 n GLY 215 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1a12 n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a12 n GLY 216 N -2.46 3.09 1.15 -0.02 0.00 -1.18 -1.56 105.19 104.21 1a12 n GLY 216 Ca 0.00 0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.17 1a12 n GLY 216 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a12 n ARG 217 N 14.00 2.86 -1.58 1.61 1.74 -1.26 -3.76 116.66 130.27 1a12 n ARG 217 Ca 0.00 -1.58 0.01 0.00 -0.77 0.00 0.00 57.85 55.50 1a12 n ARG 217 Cb 0.00 -1.82 0.01 0.00 -1.02 0.00 0.00 32.46 29.63 1a12 n ARG 217 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1a12 n GLN 218 N 0.36 0.25 -1.26 5.56 7.27 -0.60 -5.12 117.38 123.84 1a12 n GLN 218 Ca 0.14 -1.90 0.16 0.00 0.07 0.00 0.00 57.00 55.47 1a12 n GLN 218 Cb 0.68 -0.04 -0.06 0.00 2.41 0.00 0.00 30.24 33.23 1a12 n GLN 218 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1a12 n GLY 219 N 0.17 -2.66 0.15 1.69 0.00 -1.23 -4.41 105.19 98.90 1a12 n GLY 219 Ca -0.03 -1.14 -0.04 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.21 0.17 -2.17 0.99 5.85 -1.84 -3.32 115.31 113.79 1a12 h LEU 220 Ca -0.09 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.54 1a12 h LEU 220 Cb 1.18 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 1a12 h LEU 220 CO 0.05 0.76 0.03 1.05 -0.34 0.00 0.00 178.44 179.99 1a12 h GLU 221 N 0.11 0.00 -0.44 1.25 9.09 -1.90 0.11 114.58 122.81 1a12 h GLU 221 Ca -0.01 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.30 1a12 h GLU 221 Cb 1.14 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.23 1a12 h GLU 221 CO 0.09 0.00 -0.12 -0.09 0.05 0.00 0.00 179.01 178.95 1a12 h ARG 222 N 0.00 0.79 -0.06 1.06 2.43 -1.77 -1.67 114.38 115.17 1a12 h ARG 222 Ca 0.02 -0.27 -0.17 0.00 -0.81 0.00 0.00 59.98 58.75 1a12 h ARG 222 Cb 0.09 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1a12 h ARG 222 CO -0.00 0.87 -0.71 -0.07 -1.51 0.00 0.00 179.97 178.55 1a12 h LEU 223 N 0.71 0.34 0.00 3.80 3.38 -1.01 -3.34 115.31 119.20 1a12 h LEU 223 Ca 0.12 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1a12 h LEU 223 Cb 0.60 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1a12 h LEU 223 CO 0.04 0.94 -0.69 0.18 0.09 0.00 0.00 178.44 179.01 1a12 n LEU 224 N -3.81 0.63 -4.86 1.67 4.77 -0.79 -1.06 117.00 113.55 1a12 n LEU 224 Ca -0.03 -0.10 -0.35 0.00 -0.03 0.00 0.00 56.01 55.50 1a12 n LEU 224 Cb 0.69 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 1a12 n LEU 224 CO 0.46 0.13 0.13 -0.69 -1.33 0.00 0.00 177.39 176.09 1a12 s VAL 225 N -3.03 5.02 -0.00 4.08 1.01 -0.64 -4.59 120.40 122.25 1a12 s VAL 225 Ca 0.09 0.57 -0.30 0.00 0.00 0.00 0.00 61.98 62.34 1a12 s VAL 225 Cb 0.17 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 1a12 s VAL 225 CO 0.75 0.28 1.53 -2.84 0.00 0.00 0.00 175.10 174.81 1a12 s PRO 226 N -1.92 4.23 0.03 2.72 0.02 -1.26 -4.73 135.00 134.10 1a12 s PRO 226 Ca 0.34 2.11 0.02 0.00 0.02 0.00 0.00 61.00 63.49 1a12 s PRO 226 Cb -0.14 -3.69 -0.02 0.00 0.02 0.00 0.00 34.50 30.67 1a12 s PRO 226 CO 0.18 -0.69 -0.07 0.15 -0.33 0.00 0.00 177.00 176.25 1a12 s LYS 227 N 2.92 0.47 0.22 5.54 1.02 -1.16 -4.93 119.74 123.81 1a12 s LYS 227 Ca 0.68 -0.64 -0.26 0.00 0.02 0.00 0.00 55.97 55.77 1a12 s LYS 227 Cb -0.34 -0.24 -0.09 0.00 -0.52 0.00 0.00 37.83 36.65 1a12 s LYS 227 CO 0.28 0.04 0.85 0.00 -0.92 0.00 0.00 175.35 175.60 1a12 s VAL 229 N -1.26 4.18 -0.30 0.00 1.01 -0.24 -4.95 120.40 118.84 1a12 s VAL 229 Ca 0.40 1.54 0.02 0.00 0.00 0.00 0.00 61.98 63.94 1a12 s VAL 229 Cb -0.23 -3.99 0.08 0.00 0.00 0.00 0.00 36.38 32.25 1a12 s VAL 229 CO 0.27 0.05 0.01 -0.04 0.00 0.00 0.00 175.10 175.39 1a12 s MET 230 N 1.69 1.53 0.11 2.72 -1.94 -1.26 -4.75 119.30 117.39 1a12 s MET 230 Ca 0.57 -1.46 0.09 0.00 -1.71 0.00 0.00 55.69 53.17 1a12 s MET 230 Cb -0.27 -2.83 -0.04 0.00 2.01 0.00 0.00 34.83 33.71 1a12 s MET 230 CO 0.25 -0.81 -0.22 -0.51 -0.01 0.00 0.00 175.02 173.73 1a12 s LEU 231 N 1.16 2.30 0.00 -0.03 1.43 -1.26 -5.02 118.68 117.26 1a12 s LEU 231 Ca 0.04 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 1a12 s LEU 231 Cb -0.19 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 45.10 1a12 s LEU 231 CO -0.10 0.08 0.00 0.29 0.23 0.00 0.00 176.35 176.85 1a12 n LYS 232 N 1.06 0.00 0.00 1.70 5.02 -1.26 0.00 118.16 124.68 1a12 n LYS 232 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 1a12 n LYS 232 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 1a12 n LYS 232 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1a12 n SER 233 N -0.33 0.00 -2.96 4.39 3.41 -1.25 -3.30 113.62 113.57 1a12 n SER 233 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1a12 n SER 233 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1a12 n SER 233 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1a12 n ARG 234 N 0.00 0.00 0.00 4.33 3.00 -1.26 -3.01 116.66 119.72 1a12 n ARG 234 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 57.85 57.51 1a12 n ARG 234 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 32.46 30.71 1a12 n ARG 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a12 n GLY 235 N 3.58 1.96 2.19 5.14 0.00 -1.26 -5.12 105.19 111.68 1a12 n GLY 235 Ca 0.00 0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 1a12 n GLY 235 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a12 n SER 236 N 0.00 0.76 0.00 1.61 7.64 -1.16 -5.06 113.62 117.40 1a12 n SER 236 Ca 0.00 -2.98 0.00 0.00 1.01 0.00 0.00 58.87 56.90 1a12 n SER 236 Cb 0.00 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 1a12 n SER 236 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1a12 n ARG 237 N 0.40 0.00 0.00 1.43 1.74 -1.26 -5.12 116.66 113.85 1a12 n ARG 237 Ca 0.25 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 1a12 n ARG 237 Cb 0.65 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.09 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 0.00 1.40 3.31 -0.13 0.00 -1.26 -4.95 105.19 103.56 1a12 n GLY 238 Ca 0.00 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.18 2.40 0.22 1.61 -3.43 -1.21 -3.94 115.29 109.75 1a12 s HIS 239 Ca 0.00 -0.51 -0.32 0.00 -0.80 0.00 0.00 55.06 53.43 1a12 s HIS 239 Cb 0.00 -1.55 -0.14 0.00 -1.43 0.00 0.00 32.58 29.46 1a12 s HIS 239 CO 0.00 -0.08 1.28 0.28 -2.00 0.00 0.00 174.74 174.21 1a12 n VAL 240 N 2.61 1.02 -4.38 -5.38 0.31 0.10 -4.89 118.33 107.71 1a12 n VAL 240 Ca -0.17 -0.26 -0.25 0.00 -0.01 0.00 0.00 64.34 63.66 1a12 n VAL 240 Cb 0.51 -1.18 -0.09 0.00 -0.91 0.00 0.00 33.84 32.17 1a12 n VAL 240 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1a12 s ARG 241 N -0.51 1.89 0.05 5.55 0.52 -1.26 -4.73 118.95 120.47 1a12 s ARG 241 Ca 0.69 -1.56 0.09 0.00 -0.52 0.00 0.00 55.73 54.43 1a12 s ARG 241 Cb -0.73 -1.95 -0.03 0.00 0.52 0.00 0.00 34.95 32.75 1a12 s ARG 241 CO 0.52 0.37 -0.24 -0.06 0.02 0.00 0.00 175.30 175.90 1a12 s PHE 242 N -2.21 2.11 -0.55 -0.53 0.08 0.74 -1.40 117.98 116.21 1a12 s PHE 242 Ca 0.28 -0.40 0.22 0.00 0.12 0.00 0.00 56.93 57.16 1a12 s PHE 242 Cb -0.06 -1.24 -0.18 0.00 -0.57 0.00 0.00 43.02 40.97 1a12 s PHE 242 CO 0.16 0.14 0.80 0.00 -0.10 0.00 0.00 175.22 176.22 1a12 n GLN 243 N 1.69 0.31 -3.64 0.44 10.64 0.84 -4.41 117.38 123.27 1a12 n GLN 243 Ca -0.17 -0.07 -0.06 0.00 -1.83 0.00 0.00 57.00 54.87 1a12 n GLN 243 Cb 0.53 -1.54 -0.02 0.00 -0.86 0.00 0.00 30.24 28.35 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 -3.82 -0.28 -0.01 2.61 -1.08 -1.18 -5.01 116.67 107.89 1a12 s ASP 244 Ca 0.01 -0.22 -0.26 0.00 -0.52 0.00 0.00 52.55 51.56 1a12 s ASP 244 Cb 0.15 0.46 0.06 0.00 -1.46 0.00 0.00 42.92 42.13 1a12 s ASP 244 CO 0.86 -0.81 0.58 0.00 0.52 0.00 0.00 175.17 176.32 1a12 s ALA 245 N -3.27 -1.49 0.09 3.66 0.00 -1.26 -1.13 121.76 118.36 1a12 s ALA 245 Ca 0.09 0.95 -0.06 0.00 0.00 0.00 0.00 51.96 52.93 1a12 s ALA 245 Cb -0.01 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1a12 s ALA 245 CO -0.03 -0.40 0.12 -0.06 0.00 0.00 0.00 175.76 175.39 1a12 s PHE 246 N -1.61 0.33 0.07 0.00 0.40 0.04 -4.90 117.98 112.32 1a12 s PHE 246 Ca -0.10 -0.79 0.07 0.00 -0.60 0.00 0.00 56.93 55.51 1a12 s PHE 246 Cb -0.01 -0.18 -0.03 0.00 0.51 0.00 0.00 43.02 43.31 1a12 s PHE 246 CO 0.05 -0.51 -0.18 0.00 0.70 0.00 0.00 175.22 175.28 1a12 n GLY 248 N 1.40 2.66 0.28 0.00 0.00 0.29 -4.03 105.19 105.79 1a12 n GLY 248 Ca -0.19 -2.19 -0.04 0.00 0.00 0.00 0.00 46.02 43.60 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 0.63 0.92 0.00 4.61 0.00 -1.36 -3.26 119.26 120.79 1a12 h ALA 249 Ca -0.08 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1a12 h ALA 249 Cb 0.31 -0.24 -0.22 0.00 0.00 0.00 0.00 17.79 17.63 1a12 h ALA 249 CO 0.12 0.25 -0.79 0.66 0.00 0.00 0.00 179.25 179.49 1a12 n TYR 250 N -4.64 0.00 -3.62 0.00 4.01 -1.26 -0.59 117.16 111.06 1a12 n TYR 250 Ca 0.07 -0.76 -0.10 0.00 -0.16 0.00 0.00 57.90 56.95 1a12 n TYR 250 Cb 0.07 -0.17 -0.03 0.00 -0.31 0.00 0.00 39.34 38.90 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 -1.06 -0.31 0.00 -0.72 -0.71 -1.23 -0.89 117.98 113.06 1a12 s PHE 251 Ca 0.32 0.00 0.01 0.00 -1.04 0.00 0.00 56.93 56.22 1a12 s PHE 251 Cb 0.34 0.49 -0.01 0.00 -1.21 0.00 0.00 43.02 42.64 1a12 s PHE 251 CO -0.12 -0.91 -0.03 0.99 -1.34 0.00 0.00 175.22 173.80 1a12 s THR 252 N -3.82 0.26 -0.11 -4.49 2.01 0.54 -0.55 115.64 109.47 1a12 s THR 252 Ca 0.05 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 61.82 1a12 s THR 252 Cb -0.01 -0.24 -0.01 0.00 0.01 0.00 0.00 72.50 72.24 1a12 s THR 252 CO -0.06 -0.00 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.33 1a12 s PHE 253 N -0.26 2.71 -0.08 4.92 0.08 -0.10 -1.62 117.98 123.61 1a12 s PHE 253 Ca -0.01 -0.74 0.01 0.00 0.12 0.00 0.00 56.93 56.31 1a12 s PHE 253 Cb -0.02 -1.77 0.02 0.00 -0.57 0.00 0.00 43.02 40.67 1a12 s PHE 253 CO -0.00 -0.25 -0.08 0.00 -0.10 0.00 0.00 175.22 174.79 1a12 s ALA 254 N 0.25 1.18 -0.26 5.36 0.00 0.57 -0.78 121.76 128.07 1a12 s ALA 254 Ca -0.12 -0.41 -0.15 0.00 0.00 0.00 0.00 51.96 51.29 1a12 s ALA 254 Cb -0.16 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1a12 s ALA 254 CO 0.06 -0.18 0.35 0.42 0.00 0.00 0.00 175.76 176.42 1a12 s ILE 255 N 1.25 5.19 0.94 0.00 1.01 -0.28 -0.01 121.20 129.29 1a12 s ILE 255 Ca -0.04 0.54 -0.12 0.00 0.00 0.00 0.00 60.65 61.03 1a12 s ILE 255 Cb -0.14 -3.68 0.15 0.00 0.01 0.00 0.00 42.46 38.80 1a12 s ILE 255 CO -0.03 0.18 1.10 -0.94 0.00 0.00 0.00 174.94 175.25 1a12 s SER 256 N 1.58 3.21 0.52 3.58 1.04 -0.18 -0.11 113.70 123.34 1a12 s SER 256 Ca 0.14 1.21 0.20 0.00 0.48 0.00 0.00 55.95 57.98 1a12 s SER 256 Cb -0.16 -1.87 1.32 0.00 0.10 0.00 0.00 66.02 65.42 1a12 s SER 256 CO 0.10 -2.77 2.09 0.45 0.98 0.00 0.00 173.24 174.08 1a12 h HIS 257 N -1.64 0.00 0.00 5.02 3.86 -1.53 -1.55 115.15 119.31 1a12 h HIS 257 Ca -0.52 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 58.66 1a12 h HIS 257 Cb 1.31 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.78 1a12 h HIS 257 CO 0.34 0.00 -0.16 1.49 0.86 0.00 0.00 177.93 180.46 1a12 h GLU 258 N 0.00 0.00 0.00 2.45 4.81 -1.91 -3.47 114.58 116.46 1a12 h GLU 258 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1a12 h GLU 258 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1a12 h GLU 258 CO -0.00 0.16 0.00 0.41 -0.73 0.00 0.00 179.01 178.85 1a12 n GLY 259 N 0.79 0.97 3.78 1.92 0.00 -0.58 -5.10 105.19 106.97 1a12 n GLY 259 Ca 0.02 0.00 -0.38 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 3.81 -0.31 1.61 3.76 -1.26 -4.79 115.29 116.10 1a12 s HIS 260 Ca 0.00 1.67 -0.15 0.00 -0.15 0.00 0.00 55.06 56.43 1a12 s HIS 260 Cb 0.00 -2.81 -0.02 0.00 1.11 0.00 0.00 32.58 30.86 1a12 s HIS 260 CO 0.00 0.38 0.37 0.08 -0.85 0.00 0.00 174.74 174.73 1a12 s VAL 261 N -1.36 5.16 -0.13 -0.90 1.01 -1.26 -1.02 120.40 121.90 1a12 s VAL 261 Ca 0.42 0.28 -0.06 0.00 0.00 0.00 0.00 61.98 62.62 1a12 s VAL 261 Cb -0.21 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1a12 s VAL 261 CO 0.25 0.01 0.09 -0.31 0.00 0.00 0.00 175.10 175.14 1a12 s TYR 262 N 2.06 3.40 0.01 5.22 1.51 0.99 -0.91 117.35 129.63 1a12 s TYR 262 Ca 0.13 0.33 0.08 0.00 -1.01 0.00 0.00 57.07 56.61 1a12 s TYR 262 Cb -0.16 -1.94 -0.02 0.00 -0.11 0.00 0.00 41.96 39.72 1a12 s TYR 262 CO 0.11 0.51 -0.24 0.20 -1.11 0.00 0.00 175.55 175.02 1a12 s GLY 263 N -0.60 1.23 -0.03 0.71 0.00 -0.11 -0.32 107.32 108.20 1a12 s GLY 263 Ca 0.12 -1.11 -0.10 0.00 0.00 0.00 0.00 44.72 43.62 1a12 s GLY 263 CO 0.02 -0.97 0.23 -0.11 0.00 0.00 0.00 173.10 172.27 1a12 s PHE 264 N -0.68 -0.12 -1.43 1.90 -0.71 -0.64 -1.45 117.98 114.85 1a12 s PHE 264 Ca 0.10 0.22 0.00 0.00 -1.04 0.00 0.00 56.93 56.20 1a12 s PHE 264 Cb -0.09 0.04 0.00 0.00 -1.21 0.00 0.00 43.02 41.76 1a12 s PHE 264 CO 0.00 -0.28 0.00 0.41 -1.34 0.00 0.00 175.22 174.01 1a12 n GLY 265 N 1.79 0.64 3.77 1.99 0.00 0.47 -0.34 105.19 113.51 1a12 n GLY 265 Ca -0.20 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.24 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 4.42 -0.29 0.99 2.96 -0.07 -0.95 118.68 125.74 1a12 s LEU 266 Ca 0.00 2.68 0.19 0.00 -0.22 0.00 0.00 54.13 56.78 1a12 s LEU 266 Cb 0.00 -3.65 0.47 0.00 0.50 0.00 0.00 46.19 43.51 1a12 s LEU 266 CO 0.00 -0.54 1.30 -0.24 -1.32 0.00 0.00 176.35 175.55 1a12 n SER 267 N 0.92 0.26 0.16 3.68 2.88 -1.26 -4.25 113.62 116.01 1a12 n SER 267 Ca 0.00 -2.11 0.13 0.00 -1.33 0.00 0.00 58.87 55.57 1a12 n SER 267 Cb 0.42 0.02 0.53 0.00 -0.75 0.00 0.00 64.21 64.43 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 1.91 0.00 0.00 -3.46 -1.07 -1.88 -0.55 115.58 110.54 1a12 h ASN 268 Ca -0.27 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.08 1a12 h ASN 268 Cb 1.28 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.49 1a12 h ASN 268 CO 0.02 0.00 -0.39 -1.22 0.07 0.00 0.00 177.43 175.91 1a12 n TYR 269 N -2.40 0.00 -1.63 4.14 4.01 -1.26 -4.89 117.16 115.13 1a12 n TYR 269 Ca 0.02 -1.08 -0.12 0.00 -0.16 0.00 0.00 57.90 56.57 1a12 n TYR 269 Cb 0.24 -0.19 -0.04 0.00 -0.31 0.00 0.00 39.34 39.05 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 -0.94 -0.18 0.29 -0.72 8.25 -0.21 -3.74 115.22 117.97 1a12 n HIS 270 Ca 0.15 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.78 1a12 n HIS 270 Cb 0.73 -2.34 0.67 0.00 1.12 0.00 0.00 29.99 30.17 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 -1.83 -1.07 115.11 111.81 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 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.39 1a12 h GLN 271 CO 0.34 0.00 -0.03 1.28 -0.00 0.00 0.00 178.83 180.43 1a12 n LEU 272 N -3.02 0.16 -0.41 0.06 4.77 -1.26 -4.50 117.00 112.80 1a12 n LEU 272 Ca 0.01 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1a12 n LEU 272 Cb 0.30 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1a12 n LEU 272 CO 0.27 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1a12 n GLY 273 N 1.47 0.95 3.56 -0.72 0.00 -0.40 -4.90 105.19 105.14 1a12 n GLY 273 Ca 0.07 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.82 3.22 0.25 2.61 -4.23 -1.25 -4.44 115.64 108.98 1a12 s THR 274 Ca 0.00 -1.45 -0.02 0.00 -1.18 0.00 0.00 61.69 59.04 1a12 s THR 274 Cb 0.00 -2.53 0.10 0.00 1.34 0.00 0.00 72.50 71.41 1a12 s THR 274 CO 0.00 0.03 1.74 -0.65 -0.54 0.00 0.00 174.62 175.19 1a12 h PRO 275 N 3.37 0.76 -6.53 3.99 0.11 -1.95 -3.45 132.00 128.32 1a12 h PRO 275 Ca -0.48 -0.23 -0.49 0.00 0.11 0.00 0.00 66.00 64.91 1a12 h PRO 275 Cb 1.18 -0.08 0.02 0.00 0.11 0.00 0.00 31.00 32.23 1a12 h PRO 275 CO 0.52 0.81 -0.15 0.20 -0.21 0.00 0.00 178.00 179.17 1a12 s GLY 276 N -3.76 1.84 0.00 -0.55 0.00 -1.26 -5.04 107.32 98.54 1a12 s GLY 276 Ca -0.09 -1.99 0.07 0.00 0.00 0.00 0.00 44.72 42.72 1a12 s GLY 276 CO 0.81 -1.70 0.88 -1.30 0.00 0.00 0.00 173.10 171.80 1a12 n THR 277 N -2.13 0.34 -2.10 0.90 -2.24 -1.26 -4.63 114.28 103.17 1a12 n THR 277 Ca 0.13 -0.67 -0.33 0.00 -2.27 0.00 0.00 64.05 60.90 1a12 n THR 277 Cb 0.62 0.93 0.01 0.00 -2.10 0.00 0.00 70.33 69.79 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 -0.75 3.30 0.44 -0.78 0.41 -1.26 -3.49 118.70 116.57 1a12 s GLU 278 Ca 0.11 1.32 -0.23 0.00 -0.41 0.00 0.00 54.97 55.76 1a12 s GLU 278 Cb 0.07 -2.02 -0.08 0.00 -1.78 0.00 0.00 34.13 30.32 1a12 s GLU 278 CO 0.10 -0.84 1.10 -1.12 -0.49 0.00 0.00 175.26 174.01 1a12 s SER 279 N -2.49 6.39 -0.40 -0.19 0.01 -1.26 -4.47 113.70 111.29 1a12 s SER 279 Ca 0.66 2.15 -0.11 0.00 1.31 0.00 0.00 55.95 59.96 1a12 s SER 279 Cb -0.18 -2.59 0.05 0.00 0.21 0.00 0.00 66.02 63.51 1a12 s SER 279 CO 0.34 -0.75 0.25 0.00 0.41 0.00 0.00 173.24 173.48 1a12 h PHE 281 N 8.47 0.11 -3.51 0.00 -1.00 -1.82 0.14 116.94 119.32 1a12 h PHE 281 Ca -0.25 -0.08 -0.62 0.00 2.81 0.00 0.00 57.97 59.83 1a12 h PHE 281 Cb 1.10 -0.00 -0.16 0.00 3.61 0.00 0.00 35.95 40.49 1a12 h PHE 281 CO 0.59 1.17 -0.54 0.42 -1.61 0.00 0.00 178.31 178.34 1a12 s ILE 282 N -2.60 5.01 0.21 -0.55 1.01 -1.26 -3.91 121.20 119.12 1a12 s ILE 282 Ca -0.08 0.06 -0.31 0.00 0.00 0.00 0.00 60.65 60.32 1a12 s ILE 282 Cb 0.08 -3.32 -0.15 0.00 0.01 0.00 0.00 42.46 39.08 1a12 s ILE 282 CO 0.82 0.38 1.12 -2.65 0.00 0.00 0.00 174.94 174.61 1a12 n PRO 283 N 4.17 1.27 -4.82 2.79 -0.02 -1.26 -4.89 135.00 132.24 1a12 n PRO 283 Ca -0.16 0.45 -0.33 0.00 -2.02 0.00 0.00 63.50 61.45 1a12 n PRO 283 Cb 0.52 -1.91 -0.14 0.00 -0.02 0.00 0.00 33.50 31.95 1a12 n PRO 283 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1a12 s GLN 284 N -0.74 3.07 -0.41 -0.52 0.74 -0.53 -4.93 119.66 116.34 1a12 s GLN 284 Ca 0.68 -0.69 -0.28 0.00 0.05 0.00 0.00 55.36 55.12 1a12 s GLN 284 Cb -0.79 -2.54 -0.02 0.00 1.10 0.00 0.00 33.01 30.77 1a12 s GLN 284 CO 0.54 0.36 1.76 1.21 -0.55 0.00 0.00 175.29 178.61 1a12 s ASN 285 N -0.03 5.79 -0.48 6.67 3.84 -1.26 -0.94 114.94 128.54 1a12 s ASN 285 Ca -0.03 0.99 -0.28 0.00 0.21 0.00 0.00 52.86 53.74 1a12 s ASN 285 Cb -0.14 -2.53 0.01 0.00 -0.55 0.00 0.00 41.25 38.04 1a12 s ASN 285 CO 0.04 -1.84 1.38 -0.76 -2.79 0.00 0.00 177.10 173.12 1a12 s LEU 286 N 7.26 3.52 0.25 3.21 1.43 -0.09 -4.88 118.68 129.38 1a12 s LEU 286 Ca 0.74 0.58 0.25 0.00 -1.03 0.00 0.00 54.13 54.67 1a12 s LEU 286 Cb -0.19 -3.37 0.87 0.00 0.03 0.00 0.00 46.19 43.54 1a12 s LEU 286 CO 0.30 -1.51 1.75 0.71 0.23 0.00 0.00 176.35 177.83 1a12 h THR 287 N 6.41 0.00 0.00 5.49 1.35 -1.87 -1.58 112.91 122.71 1a12 h THR 287 Ca -0.27 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1a12 h THR 287 Cb 1.09 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1a12 h THR 287 CO 1.13 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.86 1a12 n SER 288 N -2.31 0.49 -0.58 5.36 3.41 -1.26 -2.66 113.62 116.07 1a12 n SER 288 Ca 0.04 0.65 0.06 0.00 -0.26 0.00 0.00 58.87 59.36 1a12 n SER 288 Cb 0.36 -0.74 0.16 0.00 -0.26 0.00 0.00 64.21 63.72 1a12 n SER 288 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1a12 n PHE 289 N -2.07 0.49 -2.46 7.33 3.01 -0.59 -4.59 117.46 118.58 1a12 n PHE 289 Ca 0.01 -0.62 -0.40 0.00 1.01 0.00 0.00 57.45 57.46 1a12 n PHE 289 Cb 0.16 -0.11 -0.04 0.00 -0.01 0.00 0.00 39.48 39.49 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 -1.53 4.62 -0.09 -1.08 1.02 -1.09 -4.71 119.74 116.87 1a12 s LYS 290 Ca 0.25 1.82 -0.05 0.00 0.02 0.00 0.00 55.97 58.01 1a12 s LYS 290 Cb 0.16 -3.19 -0.06 0.00 -0.52 0.00 0.00 37.83 34.23 1a12 s LYS 290 CO 0.11 0.17 0.94 -1.71 -0.92 0.00 0.00 175.35 173.94 1a12 n ASN 291 N 1.35 -1.02 0.03 2.83 5.15 -1.26 -4.74 115.26 117.59 1a12 n ASN 291 Ca -0.00 -1.21 -0.04 0.00 -0.60 0.00 0.00 54.58 52.72 1a12 n ASN 291 Cb 0.45 -0.43 -0.02 0.00 -0.53 0.00 0.00 39.78 39.24 1a12 n ASN 291 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1a12 h SER 292 N 8.47 -0.35 0.00 1.20 0.02 -1.98 -3.43 113.55 117.48 1a12 h SER 292 Ca 0.02 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1a12 h SER 292 Cb 0.76 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1a12 h SER 292 CO 0.88 -0.13 0.00 0.35 -1.14 0.00 0.00 176.83 176.80 1a12 n THR 293 N -3.10 0.00 -3.13 -2.27 -2.24 -1.26 -5.09 114.28 97.19 1a12 n THR 293 Ca -0.02 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.33 1a12 n THR 293 Cb 0.09 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.25 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 0.00 3.33 -0.32 -0.78 1.02 -1.26 -4.93 119.74 116.80 1a12 s LYS 294 Ca 0.00 -0.34 -0.25 0.00 0.02 0.00 0.00 55.97 55.40 1a12 s LYS 294 Cb 0.00 -3.93 0.01 0.00 -0.52 0.00 0.00 37.83 33.39 1a12 s LYS 294 CO 0.00 -0.94 0.87 0.45 -0.92 0.00 0.00 175.35 174.81 1a12 s SER 295 N 1.95 6.73 -0.40 2.83 0.15 -1.26 -4.70 113.70 118.99 1a12 s SER 295 Ca 0.22 0.73 -0.29 0.00 0.70 0.00 0.00 55.95 57.31 1a12 s SER 295 Cb -0.14 -2.45 0.02 0.00 -1.71 0.00 0.00 66.02 61.74 1a12 s SER 295 CO 0.18 -0.71 1.11 0.26 1.20 0.00 0.00 173.24 175.28 1a12 s TRP 296 N 3.18 2.97 -0.53 3.44 0.52 -1.26 0.06 118.94 127.33 1a12 s TRP 296 Ca 0.36 0.94 0.08 0.00 0.02 0.00 0.00 56.10 57.50 1a12 s TRP 296 Cb -0.13 -4.10 -0.05 0.00 -1.15 0.00 0.00 33.47 28.04 1a12 s TRP 296 CO 0.14 -1.04 0.43 1.33 0.02 0.00 0.00 176.95 177.83 1a12 n VAL 297 N 6.40 0.00 -3.65 4.03 0.24 -0.61 -4.96 118.33 119.77 1a12 n VAL 297 Ca 0.12 -0.36 -0.10 0.00 -2.04 0.00 0.00 64.34 61.95 1a12 n VAL 297 Cb 0.48 1.04 -0.08 0.00 -1.47 0.00 0.00 33.84 33.81 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 -1.49 -0.53 0.04 7.63 0.00 -1.07 -4.97 107.32 106.93 1a12 s GLY 298 Ca 0.05 2.06 0.03 0.00 0.00 0.00 0.00 44.72 46.85 1a12 s GLY 298 CO 0.26 1.96 -0.10 -1.36 0.00 0.00 0.00 173.10 173.87 1a12 s PHE 299 N 1.06 0.82 0.19 1.90 0.40 -1.26 -0.75 117.98 120.33 1a12 s PHE 299 Ca -0.06 -0.41 -0.17 0.00 -0.60 0.00 0.00 56.93 55.69 1a12 s PHE 299 Cb -0.05 -0.49 0.03 0.00 0.51 0.00 0.00 43.02 43.02 1a12 s PHE 299 CO -0.10 -0.03 0.51 -1.54 0.70 0.00 0.00 175.22 174.76 1a12 s SER 300 N -1.31 -0.27 -0.26 1.36 1.04 -0.15 -4.67 113.70 109.45 1a12 s SER 300 Ca -0.05 -0.46 -0.26 0.00 0.48 0.00 0.00 55.95 55.66 1a12 s SER 300 Cb -0.08 0.57 0.14 0.00 0.10 0.00 0.00 66.02 66.75 1a12 s SER 300 CO 0.01 -1.03 1.12 -0.83 0.98 0.00 0.00 173.24 173.48 1a12 s GLY 301 N -2.87 -0.07 0.00 7.32 0.00 -1.26 -1.53 107.32 108.92 1a12 s GLY 301 Ca 0.09 2.69 0.00 0.00 0.00 0.00 0.00 44.72 47.49 1a12 s GLY 301 CO -0.04 1.62 0.00 0.61 0.00 0.00 0.00 173.10 175.30 1a12 n GLY 302 N 1.66 1.19 0.07 0.20 0.00 -0.20 -2.24 105.19 105.86 1a12 n GLY 302 Ca -0.11 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.02 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 0.11 0.00 1.61 4.20 -1.69 -3.10 115.11 116.24 1a12 h GLN 303 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1a12 h GLN 303 Cb 0.00 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1a12 h GLN 303 CO 0.00 0.11 -0.06 0.72 -0.67 0.00 0.00 178.83 178.92 1a12 n HIS 304 N -5.01 0.00 -3.94 2.96 8.25 -1.26 -4.74 115.22 111.48 1a12 n HIS 304 Ca -0.06 -0.52 -0.08 0.00 -0.26 0.00 0.00 57.72 56.81 1a12 n HIS 304 Cb 0.05 -0.07 -0.08 0.00 1.12 0.00 0.00 29.99 31.00 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 -1.31 0.28 0.01 4.41 -3.43 -1.26 -1.05 115.29 112.95 1a12 s HIS 305 Ca 0.10 -0.75 0.05 0.00 -0.80 0.00 0.00 55.06 53.66 1a12 s HIS 305 Cb 0.09 -0.18 -0.02 0.00 -1.43 0.00 0.00 32.58 31.04 1a12 s HIS 305 CO 0.01 -0.48 -0.15 0.99 -2.00 0.00 0.00 174.74 173.11 1a12 s THR 306 N -3.83 1.19 -0.10 -5.38 2.01 0.02 -1.04 115.64 108.51 1a12 s THR 306 Ca 0.05 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.24 1a12 s THR 306 Cb 0.06 -1.03 0.02 0.00 0.01 0.00 0.00 72.50 71.56 1a12 s THR 306 CO -0.10 0.19 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.22 1a12 s VAL 307 N -0.58 1.20 0.33 3.82 1.01 -0.58 -1.30 120.40 124.31 1a12 s VAL 307 Ca 0.04 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.61 1a12 s VAL 307 Cb -0.07 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1a12 s VAL 307 CO 0.00 0.39 0.11 0.00 0.00 0.00 0.00 175.10 175.60 1a12 s MET 309 N -3.86 0.65 0.15 0.00 0.23 0.07 -0.43 119.30 116.11 1a12 s MET 309 Ca 0.33 -0.30 0.02 0.00 -1.03 0.00 0.00 55.69 54.71 1a12 s MET 309 Cb 0.06 0.28 0.02 0.00 -1.53 0.00 0.00 34.83 33.67 1a12 s MET 309 CO 0.15 -0.18 0.19 -0.40 -2.03 0.00 0.00 175.02 172.76 1a12 n ASP 310 N 1.19 0.67 -0.40 -1.18 5.68 -0.37 -1.57 116.55 120.57 1a12 n ASP 310 Ca -0.21 -1.41 0.10 0.00 -0.50 0.00 0.00 54.79 52.77 1a12 n ASP 310 Cb 0.56 -0.10 0.43 0.00 -1.14 0.00 0.00 41.12 40.88 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 -2.71 1.19 -1.16 -1.12 3.41 0.11 -3.72 113.62 109.62 1a12 n SER 311 Ca 0.04 -1.62 -0.04 0.00 -0.26 0.00 0.00 58.87 56.99 1a12 n SER 311 Cb 0.16 -0.07 0.20 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.00 1.83 -1.69 4.33 1.02 -1.26 -4.95 120.64 119.91 1a12 n GLU 312 Ca 0.16 -3.20 -0.08 0.00 -0.02 0.00 0.00 57.16 54.02 1a12 n GLU 312 Cb 0.26 -1.81 -0.02 0.00 -0.02 0.00 0.00 31.44 29.84 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 -1.13 0.51 3.37 0.62 0.00 -1.24 -4.90 105.19 102.42 1a12 n GLY 313 Ca 0.33 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.53 2.25 0.04 1.61 1.02 -1.26 -0.70 119.74 119.16 1a12 s LYS 314 Ca 0.00 -0.84 0.05 0.00 0.02 0.00 0.00 55.97 55.20 1a12 s LYS 314 Cb 0.00 -2.16 -0.03 0.00 -0.52 0.00 0.00 37.83 35.11 1a12 s LYS 314 CO 0.00 0.58 -0.11 0.00 -0.92 0.00 0.00 175.35 174.90 1a12 s ALA 315 N -0.65 2.85 0.12 5.17 0.00 -1.26 -1.24 121.76 126.75 1a12 s ALA 315 Ca 0.11 -1.13 0.04 0.00 0.00 0.00 0.00 51.96 50.98 1a12 s ALA 315 Cb -0.10 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1a12 s ALA 315 CO -0.00 0.61 -0.11 0.71 0.00 0.00 0.00 175.76 176.96 1a12 s TYR 316 N -1.02 1.20 0.14 0.00 1.51 0.43 -1.08 117.35 118.53 1a12 s TYR 316 Ca 0.17 -0.68 0.05 0.00 -1.01 0.00 0.00 57.07 55.60 1a12 s TYR 316 Cb -0.11 -0.63 -0.04 0.00 -0.11 0.00 0.00 41.96 41.07 1a12 s TYR 316 CO 0.08 0.06 -0.11 -1.54 -1.11 0.00 0.00 175.55 172.93 1a12 s SER 317 N -2.73 1.79 0.10 2.29 1.04 -0.32 -0.11 113.70 115.77 1a12 s SER 317 Ca 0.10 -0.96 -0.19 0.00 0.48 0.00 0.00 55.95 55.38 1a12 s SER 317 Cb -0.01 -0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.14 1a12 s SER 317 CO 0.01 -0.29 0.47 -1.48 0.98 0.00 0.00 173.24 172.93 1a12 s LEU 318 N -2.97 0.08 0.00 2.42 2.34 -0.42 -0.98 118.68 119.15 1a12 s LEU 318 Ca 0.14 -0.10 0.00 0.00 0.06 0.00 0.00 54.13 54.23 1a12 s LEU 318 Cb 0.01 2.06 0.00 0.00 -0.56 0.00 0.00 46.19 47.70 1a12 s LEU 318 CO 0.01 -0.83 0.00 0.61 -1.06 0.00 0.00 176.35 175.08 1a12 n GLY 319 N -0.03 0.10 3.73 -3.48 0.00 0.04 -0.80 105.19 104.76 1a12 n GLY 319 Ca -0.17 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.37 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 4.40 0.17 1.61 3.52 -0.22 -2.00 118.95 126.43 1a12 s ARG 320 Ca 0.00 2.01 0.20 0.00 -0.13 0.00 0.00 55.73 57.81 1a12 s ARG 320 Cb 0.00 -3.22 -0.03 0.00 -1.56 0.00 0.00 34.95 30.14 1a12 s ARG 320 CO 0.00 -0.25 1.01 0.00 -0.81 0.00 0.00 175.30 175.26 1a12 h ALA 321 N 5.57 0.59 -2.18 6.12 0.00 -1.88 -3.40 119.26 124.08 1a12 h ALA 321 Ca -0.44 -0.35 -0.60 0.00 0.00 0.00 0.00 54.91 53.52 1a12 h ALA 321 Cb 1.21 0.10 0.09 0.00 0.00 0.00 0.00 17.79 19.20 1a12 h ALA 321 CO 0.78 0.38 0.42 0.39 0.00 0.00 0.00 179.25 181.22 1a12 n GLU 322 N -2.81 1.74 -1.30 0.00 1.02 -1.26 -1.91 120.64 116.12 1a12 n GLU 322 Ca -0.03 0.61 -0.10 0.00 -0.02 0.00 0.00 57.16 57.62 1a12 n GLU 322 Cb 0.67 -2.16 -0.04 0.00 -0.02 0.00 0.00 31.44 29.88 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 1.13 0.00 -0.71 -0.32 4.01 -1.26 -3.55 117.16 116.45 1a12 n TYR 323 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 1a12 n TYR 323 Cb 0.31 -2.20 0.00 0.00 -0.31 0.00 0.00 39.34 37.15 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 -0.97 0.66 0.11 2.72 0.00 -0.80 -2.96 105.19 103.94 1a12 n GLY 324 Ca -0.10 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.65 0.14 0.16 1.61 1.85 -1.23 -1.38 116.66 115.16 1a12 n ARG 325 Ca 0.00 0.45 0.09 0.00 -1.00 0.00 0.00 57.85 57.39 1a12 n ARG 325 Cb 0.00 -1.80 0.08 0.00 -1.05 0.00 0.00 32.46 29.68 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 1.16 2.89 3.38 -1.80 -3.40 115.31 117.53 1a12 h LEU 326 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1a12 h LEU 326 Cb 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1a12 h LEU 326 CO 0.00 0.15 -0.24 0.61 0.09 0.00 0.00 178.44 179.05 1a12 n GLY 327 N 1.17 0.29 1.31 0.83 0.00 -0.48 -4.68 105.19 103.63 1a12 n GLY 327 Ca 0.01 -0.50 0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.35 4.04 0.00 0.99 4.77 -1.13 -4.35 117.00 119.97 1a12 n LEU 328 Ca -0.11 -2.15 0.00 0.00 -0.03 0.00 0.00 56.01 53.72 1a12 n LEU 328 Cb 0.52 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1a12 n LEU 328 CO 0.14 0.90 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 1a12 n GLY 329 N 1.29 1.38 3.75 -0.72 0.00 0.07 -4.80 105.19 106.16 1a12 n GLY 329 Ca 0.23 -1.93 -0.38 0.00 0.00 0.00 0.00 46.02 43.93 1a12 n GLY 329 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a12 s GLU 330 N -2.33 3.12 -0.13 1.61 0.41 -1.26 -2.78 118.70 117.34 1a12 s GLU 330 Ca 0.00 2.21 0.00 0.00 -0.41 0.00 0.00 54.97 56.77 1a12 s GLU 330 Cb 0.00 -2.24 0.00 0.00 -1.78 0.00 0.00 34.13 30.11 1a12 s GLU 330 CO 0.00 -1.20 0.00 0.41 -0.49 0.00 0.00 175.26 173.98 1a12 n GLY 331 N 0.72 0.41 3.76 -1.39 0.00 -1.26 -4.97 105.19 102.46 1a12 n GLY 331 Ca 0.11 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1a12 n GLY 331 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a12 s ALA 332 N -1.72 2.93 0.29 4.61 0.00 -1.12 -5.03 121.76 121.72 1a12 s ALA 332 Ca 0.00 1.29 0.11 0.00 0.00 0.00 0.00 51.96 53.36 1a12 s ALA 332 Cb 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1a12 s ALA 332 CO 0.00 -1.21 -0.16 -1.21 0.00 0.00 0.00 175.76 173.19 1a12 s GLU 333 N -2.77 1.79 0.14 0.00 2.02 -1.26 -4.84 118.70 113.77 1a12 s GLU 333 Ca 0.68 -1.74 -0.34 0.00 0.02 0.00 0.00 54.97 53.59 1a12 s GLU 333 Cb -0.39 -1.82 -0.16 0.00 0.10 0.00 0.00 34.13 31.86 1a12 s GLU 333 CO 0.47 0.31 1.24 -1.91 0.02 0.00 0.00 175.26 175.39 1a12 n GLU 334 N -0.68 1.17 -4.86 1.61 2.13 -1.26 -4.75 120.64 114.01 1a12 n GLU 334 Ca -0.05 0.42 -0.32 0.00 0.66 0.00 0.00 57.16 57.87 1a12 n GLU 334 Cb 0.60 -1.98 -0.13 0.00 0.27 0.00 0.00 31.44 30.20 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 -0.01 2.42 0.00 5.31 -0.14 -0.85 -4.96 119.74 121.51 1a12 s LYS 335 Ca 0.78 -0.75 0.06 0.00 -1.36 0.00 0.00 55.97 54.70 1a12 s LYS 335 Cb -0.89 -2.34 0.12 0.00 -1.68 0.00 0.00 37.83 33.04 1a12 s LYS 335 CO 0.50 0.61 0.97 -1.13 -0.76 0.00 0.00 175.35 175.53 1a12 n SER 336 N 2.16 2.12 -4.08 2.83 3.41 -1.26 -0.78 113.62 118.02 1a12 n SER 336 Ca -0.17 -1.71 -0.13 0.00 -0.26 0.00 0.00 58.87 56.60 1a12 n SER 336 Cb 0.52 -0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 64.28 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 -0.81 0.58 -0.02 -1.33 -4.36 -1.26 -3.77 121.20 110.23 1a12 s ILE 337 Ca 0.11 -1.20 -0.32 0.00 -0.26 0.00 0.00 60.65 58.98 1a12 s ILE 337 Cb 0.06 -0.76 -0.10 0.00 1.25 0.00 0.00 42.46 42.90 1a12 s ILE 337 CO 0.08 -0.44 1.92 -0.81 0.24 0.00 0.00 174.94 175.94 1a12 n PRO 338 N 1.26 2.53 -4.25 0.37 -0.04 -1.26 -4.62 135.00 128.98 1a12 n PRO 338 Ca -0.21 0.93 -0.34 0.00 -0.04 0.00 0.00 63.50 63.84 1a12 n PRO 338 Cb 0.55 -2.82 -0.15 0.00 -0.04 0.00 0.00 33.50 31.04 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 4.16 2.71 0.24 0.52 2.01 -0.15 -4.87 115.64 120.26 1a12 s THR 339 Ca 0.90 -0.73 -0.31 0.00 0.31 0.00 0.00 61.69 61.86 1a12 s THR 339 Cb -0.57 -2.17 -0.12 0.00 0.01 0.00 0.00 72.50 69.65 1a12 s THR 339 CO 0.47 0.50 1.64 -0.11 -0.69 0.00 0.00 174.62 176.43 1a12 n LEU 340 N 4.40 3.98 -4.39 4.42 7.94 -1.26 -1.17 117.00 130.91 1a12 n LEU 340 Ca -0.19 1.10 -0.45 0.00 -1.11 0.00 0.00 56.01 55.35 1a12 n LEU 340 Cb 0.51 -1.56 -0.02 0.00 0.53 0.00 0.00 43.42 42.89 1a12 n LEU 340 CO 0.28 0.08 0.80 -0.63 -1.11 0.00 0.00 177.39 176.81 1a12 s ILE 341 N 0.65 5.31 0.22 1.96 1.01 -0.24 -4.89 121.20 125.21 1a12 s ILE 341 Ca 0.71 -2.35 0.23 0.00 0.00 0.00 0.00 60.65 59.23 1a12 s ILE 341 Cb -0.53 -4.65 0.21 0.00 0.01 0.00 0.00 42.46 37.50 1a12 s ILE 341 CO 0.40 -1.29 1.85 0.77 0.00 0.00 0.00 174.94 176.67 1a12 h SER 342 N 7.86 0.00 0.00 3.58 4.64 -1.89 -3.30 113.55 124.45 1a12 h SER 342 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1a12 h SER 342 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1a12 h SER 342 CO 0.98 0.25 0.00 0.54 -0.87 0.00 0.00 176.83 177.73 1a12 n ARG 343 N -3.52 0.63 -3.76 4.77 1.74 -1.26 -4.81 116.66 110.45 1a12 n ARG 343 Ca -0.01 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.76 1a12 n ARG 343 Cb 0.41 -1.42 -0.04 0.00 -1.02 0.00 0.00 32.46 30.39 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 -1.83 4.30 1.42 0.55 1.43 -1.24 -4.99 118.68 118.32 1a12 s LEU 344 Ca 0.25 0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 53.60 1a12 s LEU 344 Cb 0.12 -3.18 0.37 0.00 0.03 0.00 0.00 46.19 43.52 1a12 s LEU 344 CO 0.20 0.09 0.93 -2.84 0.23 0.00 0.00 176.35 174.95 1a12 s PRO 345 N -2.63 -2.93 0.30 1.29 0.02 -1.26 -4.89 135.00 124.89 1a12 s PRO 345 Ca 0.39 0.18 -0.30 0.00 0.02 0.00 0.00 61.00 61.29 1a12 s PRO 345 Cb -0.12 -1.37 -0.12 0.00 0.02 0.00 0.00 34.50 32.90 1a12 s PRO 345 CO 0.26 -4.89 1.51 0.00 -0.33 0.00 0.00 177.00 173.55 1a12 n ALA 346 N -5.65 2.11 -2.77 -1.55 0.00 -1.26 -4.90 120.51 106.49 1a12 n ALA 346 Ca 0.12 0.37 -0.35 0.00 0.00 0.00 0.00 53.44 53.58 1a12 n ALA 346 Cb 0.60 -2.40 -0.08 0.00 0.00 0.00 0.00 19.45 17.57 1a12 n ALA 346 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1a12 s VAL 347 N -0.32 4.80 -0.11 0.00 1.01 0.12 -1.00 120.40 124.89 1a12 s VAL 347 Ca 0.62 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.53 1a12 s VAL 347 Cb -0.53 -3.08 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 1a12 s VAL 347 CO 0.53 0.56 -0.02 -1.54 0.00 0.00 0.00 175.10 174.63 1a12 n SER 348 N 1.90 2.80 -3.68 3.32 3.41 0.08 -4.33 113.62 117.13 1a12 n SER 348 Ca -0.18 -0.03 -0.10 0.00 -0.26 0.00 0.00 58.87 58.30 1a12 n SER 348 Cb 0.54 0.37 -0.05 0.00 -0.26 0.00 0.00 64.21 64.81 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 -4.57 -0.17 0.13 4.04 1.04 -1.05 -5.01 113.70 108.11 1a12 s SER 349 Ca -0.09 -0.37 0.04 0.00 0.48 0.00 0.00 55.95 56.00 1a12 s SER 349 Cb 0.03 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1a12 s SER 349 CO 0.35 -0.82 -0.10 0.68 0.98 0.00 0.00 173.24 174.33 1a12 s VAL 350 N -3.78 1.07 0.14 5.02 -7.23 -1.26 -1.01 120.40 113.35 1a12 s VAL 350 Ca 0.03 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.01 1a12 s VAL 350 Cb 0.02 -1.77 0.05 0.00 0.56 0.00 0.00 36.38 35.24 1a12 s VAL 350 CO -0.12 -0.75 0.49 0.00 -0.31 0.00 0.00 175.10 174.41 1a12 s ALA 351 N -3.28 -1.20 0.08 1.32 0.00 -0.72 -4.85 121.76 113.10 1a12 s ALA 351 Ca 0.15 0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.33 1a12 s ALA 351 Cb 0.02 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 1a12 s ALA 351 CO -0.00 -0.70 -0.18 0.00 0.00 0.00 0.00 175.76 174.88 1a12 n GLY 353 N 1.25 2.56 0.23 0.00 0.00 -0.31 -4.08 105.19 104.85 1a12 n GLY 353 Ca -0.20 -2.17 -0.01 0.00 0.00 0.00 0.00 46.02 43.65 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 0.62 0.79 0.00 4.61 0.00 -1.58 -3.21 119.26 120.48 1a12 h ALA 354 Ca -0.03 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1a12 h ALA 354 Cb 0.14 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.82 1a12 h ALA 354 CO 0.05 -0.13 -0.56 0.43 0.00 0.00 0.00 179.25 179.05 1a12 n SER 355 N -4.94 0.82 -4.24 0.00 7.64 -1.26 -2.29 113.62 109.36 1a12 n SER 355 Ca 0.08 -2.37 -0.16 0.00 1.01 0.00 0.00 58.87 57.44 1a12 n SER 355 Cb 0.23 -0.30 -0.11 0.00 -1.01 0.00 0.00 64.21 63.03 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 -0.80 1.21 0.09 0.44 -7.23 -1.21 -1.73 120.40 111.17 1a12 s VAL 356 Ca 0.18 -1.86 0.04 0.00 -1.81 0.00 0.00 61.98 58.52 1a12 s VAL 356 Cb 0.18 -1.64 -0.03 0.00 0.56 0.00 0.00 36.38 35.45 1a12 s VAL 356 CO -0.05 -0.59 -0.10 -0.83 -0.31 0.00 0.00 175.10 173.23 1a12 s GLY 357 N -2.78 0.80 0.03 2.32 0.00 -0.23 -1.16 107.32 106.30 1a12 s GLY 357 Ca 0.12 -1.12 -0.04 0.00 0.00 0.00 0.00 44.72 43.67 1a12 s GLY 357 CO 0.02 -1.19 0.06 -0.19 0.00 0.00 0.00 173.10 171.80 1a12 s TYR 358 N -2.24 0.21 -0.03 1.90 2.02 0.10 -1.64 117.35 117.67 1a12 s TYR 358 Ca 0.03 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.24 1a12 s TYR 358 Cb -0.04 -0.16 0.02 0.00 -0.40 0.00 0.00 41.96 41.39 1a12 s TYR 358 CO 0.00 -0.31 0.00 0.00 -1.57 0.00 0.00 175.55 173.67 1a12 s ALA 359 N -2.25 0.27 -0.15 3.71 0.00 -0.71 -1.76 121.76 120.86 1a12 s ALA 359 Ca -0.08 0.17 -0.16 0.00 0.00 0.00 0.00 51.96 51.89 1a12 s ALA 359 Cb -0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1a12 s ALA 359 CO -0.03 -0.06 0.38 0.08 0.00 0.00 0.00 175.76 176.13 1a12 s VAL 360 N 0.92 5.25 0.50 0.00 1.01 -0.18 -0.76 120.40 127.14 1a12 s VAL 360 Ca -0.09 0.74 -0.02 0.00 0.00 0.00 0.00 61.98 62.60 1a12 s VAL 360 Cb -0.12 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 32.53 1a12 s VAL 360 CO -0.02 0.34 0.76 0.42 0.00 0.00 0.00 175.10 176.61 1a12 s THR 361 N 0.64 3.92 0.43 3.92 -4.23 0.58 -0.74 115.64 120.16 1a12 s THR 361 Ca 0.21 -0.27 0.19 0.00 -1.18 0.00 0.00 61.69 60.63 1a12 s THR 361 Cb -0.14 -3.49 0.21 0.00 1.34 0.00 0.00 72.50 70.42 1a12 s THR 361 CO 0.07 -0.41 2.00 0.11 -0.54 0.00 0.00 174.62 175.85 1a12 h LYS 362 N 0.18 0.00 -0.22 3.99 1.57 -1.34 -0.50 116.57 120.25 1a12 h LYS 362 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1a12 h LYS 362 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1a12 h LYS 362 CO 0.59 0.19 0.00 -0.40 -0.57 0.00 0.00 179.45 179.25 1a12 n ASP 363 N -4.06 1.34 0.00 0.86 5.68 -1.26 -4.92 116.55 114.18 1a12 n ASP 363 Ca -0.02 -1.90 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 1a12 n ASP 363 Cb 0.26 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 1a12 n ASP 363 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a12 n GLY 364 N 0.95 0.96 3.90 6.12 0.00 -0.19 -4.92 105.19 112.01 1a12 n GLY 364 Ca 0.11 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.53 2.62 -0.02 1.61 0.52 -1.26 -0.45 118.95 120.45 1a12 s ARG 365 Ca 0.00 -1.44 0.01 0.00 -0.52 0.00 0.00 55.73 53.78 1a12 s ARG 365 Cb 0.00 -2.47 0.01 0.00 0.52 0.00 0.00 34.95 33.01 1a12 s ARG 365 CO 0.00 -0.18 -0.04 0.54 0.02 0.00 0.00 175.30 175.64 1a12 s VAL 366 N -2.43 0.41 0.03 3.52 0.11 -1.26 -0.31 120.40 120.47 1a12 s VAL 366 Ca 0.49 -0.11 0.07 0.00 -2.93 0.00 0.00 61.98 59.49 1a12 s VAL 366 Cb -0.05 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.35 1a12 s VAL 366 CO 0.29 0.17 -0.17 -0.36 -3.33 0.00 0.00 175.10 171.69 1a12 s PHE 367 N 0.53 2.58 0.10 1.54 0.40 0.06 -0.72 117.98 122.48 1a12 s PHE 367 Ca -0.06 -0.24 0.04 0.00 -0.60 0.00 0.00 56.93 56.07 1a12 s PHE 367 Cb -0.10 -1.49 -0.04 0.00 0.51 0.00 0.00 43.02 41.91 1a12 s PHE 367 CO -0.00 0.24 -0.11 0.00 0.70 0.00 0.00 175.22 176.05 1a12 s ALA 368 N -0.90 1.19 0.17 5.36 0.00 -0.26 -1.74 121.76 125.58 1a12 s ALA 368 Ca 0.14 -1.23 -0.23 0.00 0.00 0.00 0.00 51.96 50.64 1a12 s ALA 368 Cb -0.11 0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.10 1a12 s ALA 368 CO 0.05 -0.03 0.67 1.67 0.00 0.00 0.00 175.76 178.12 1a12 s TRP 369 N -2.50 -0.42 0.00 0.00 -2.14 -0.65 -0.66 118.94 112.56 1a12 s TRP 369 Ca 0.07 0.16 0.00 0.00 2.66 0.00 0.00 56.10 58.99 1a12 s TRP 369 Cb -0.02 0.59 0.00 0.00 -3.10 0.00 0.00 33.47 30.94 1a12 s TRP 369 CO 0.00 -0.90 0.00 0.41 -2.66 0.00 0.00 176.95 173.80 1a12 n GLY 370 N -0.39 -0.04 3.69 3.67 0.00 0.36 -1.07 105.19 111.41 1a12 n GLY 370 Ca -0.13 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.37 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 4.23 0.04 1.61 1.75 -0.70 -1.23 119.30 124.98 1a12 s MET 371 Ca 0.00 2.19 0.25 0.00 -1.25 0.00 0.00 55.69 56.88 1a12 s MET 371 Cb 0.00 -3.62 0.51 0.00 2.84 0.00 0.00 34.83 34.56 1a12 s MET 371 CO 0.00 -0.69 1.43 0.41 -0.65 0.00 0.00 175.02 175.52 1a12 n GLY 372 N 3.88 -1.32 0.34 2.11 0.00 -1.25 -4.63 105.19 104.32 1a12 n GLY 372 Ca 0.15 -0.30 0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 0.74 -0.13 2.61 2.02 -1.84 -0.99 112.91 115.31 1a12 h THR 373 Ca 0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1a12 h THR 373 Cb 0.58 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1a12 h THR 373 CO 0.00 0.13 0.00 0.59 0.37 0.00 0.00 175.52 176.61 1a12 n ASN 374 N -4.79 1.05 -2.39 4.18 3.02 -1.26 -4.91 115.26 110.17 1a12 n ASN 374 Ca 0.20 -1.71 -0.19 0.00 -0.03 0.00 0.00 54.58 52.86 1a12 n ASN 374 Cb 0.49 -0.09 0.02 0.00 -0.61 0.00 0.00 39.78 39.59 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 -0.04 -1.37 0.51 3.10 4.01 -0.38 -3.25 117.16 119.73 1a12 n TYR 375 Ca 0.13 0.28 0.13 0.00 -0.16 0.00 0.00 57.90 58.28 1a12 n TYR 375 Cb 0.21 -3.83 0.29 0.00 -0.31 0.00 0.00 39.34 35.71 1a12 n TYR 375 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1a12 h GLN 376 N -0.75 0.00 0.00 -0.72 4.20 -1.84 -3.28 115.11 112.71 1a12 h GLN 376 Ca -0.44 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.18 1a12 h GLN 376 Cb 1.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 1a12 h GLN 376 CO 0.49 0.00 -0.42 -0.07 -0.67 0.00 0.00 178.83 178.17 1a12 h LEU 377 N 0.00 0.00 0.18 1.46 3.38 -1.85 -3.46 115.31 115.01 1a12 h LEU 377 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1a12 h LEU 377 Cb 0.81 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 1a12 h LEU 377 CO 0.00 0.42 -0.07 0.61 0.09 0.00 0.00 178.44 179.49 1a12 n GLY 378 N 0.82 0.63 0.18 0.83 0.00 -1.25 -4.74 105.19 101.68 1a12 n GLY 378 Ca 0.01 -0.91 0.10 0.00 0.00 0.00 0.00 46.02 45.22 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 0.13 0.00 2.61 1.35 -1.89 -3.38 112.91 111.73 1a12 h THR 379 Ca -0.07 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 1a12 h THR 379 Cb 0.25 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1a12 h THR 379 CO 0.10 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 1a12 n GLY 380 N 1.14 0.45 3.58 5.82 0.00 -1.24 -5.04 105.19 109.90 1a12 n GLY 380 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.86 1.88 -0.17 1.61 -1.52 -1.26 -5.00 119.66 114.34 1a12 s GLN 381 Ca 0.00 -2.02 0.16 0.00 -1.95 0.00 0.00 55.36 51.55 1a12 s GLN 381 Cb 0.00 -1.67 0.57 0.00 -0.22 0.00 0.00 33.01 31.69 1a12 s GLN 381 CO 0.00 0.05 1.47 -0.40 -0.25 0.00 0.00 175.29 176.16 1a12 n ASP 382 N -0.87 4.14 -4.83 5.90 5.75 -1.26 -4.67 116.55 120.71 1a12 n ASP 382 Ca -0.05 -2.90 -0.33 0.00 -0.01 0.00 0.00 54.79 51.49 1a12 n ASP 382 Cb 0.65 -0.54 -0.07 0.00 -1.03 0.00 0.00 41.12 40.13 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 -2.64 4.14 0.76 0.11 0.41 -1.26 -3.12 118.70 117.09 1a12 s GLU 383 Ca 0.43 0.90 -0.11 0.00 -0.41 0.00 0.00 54.97 55.78 1a12 s GLU 383 Cb 0.34 -2.37 0.05 0.00 -1.78 0.00 0.00 34.13 30.37 1a12 s GLU 383 CO 0.11 0.10 1.09 -0.51 -0.49 0.00 0.00 175.26 175.55 1a12 s ASP 384 N -2.17 4.64 -0.19 -0.19 1.01 -1.26 -3.92 116.67 114.59 1a12 s ASP 384 Ca 0.57 1.81 -0.01 0.00 0.71 0.00 0.00 52.55 55.63 1a12 s ASP 384 Cb -0.10 -2.52 0.05 0.00 1.01 0.00 0.00 42.92 41.36 1a12 s ASP 384 CO 0.16 -1.94 -0.03 0.00 0.21 0.00 0.00 175.17 173.57 1a12 s ALA 385 N -2.89 1.48 -0.88 5.23 0.00 -0.37 -4.88 121.76 119.45 1a12 s ALA 385 Ca 0.61 -0.94 0.27 0.00 0.00 0.00 0.00 51.96 51.89 1a12 s ALA 385 Cb -0.17 -1.23 0.81 0.00 0.00 0.00 0.00 23.12 22.53 1a12 s ALA 385 CO 0.55 -1.01 1.66 0.91 0.00 0.00 0.00 175.76 177.87 1a12 n TRP 386 N 4.86 0.29 -4.33 0.00 7.02 -1.26 -0.48 117.44 123.54 1a12 n TRP 386 Ca -0.11 0.08 -0.25 0.00 -1.02 0.00 0.00 57.50 56.20 1a12 n TRP 386 Cb 0.46 -0.56 -0.13 0.00 -2.42 0.00 0.00 31.31 28.67 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 -3.53 2.71 0.24 -0.99 0.01 -1.26 -0.75 113.70 110.12 1a12 s SER 387 Ca 0.11 -0.69 -0.31 0.00 1.31 0.00 0.00 55.95 56.37 1a12 s SER 387 Cb 0.16 -0.16 -0.13 0.00 0.21 0.00 0.00 66.02 66.10 1a12 s SER 387 CO 0.62 0.09 1.42 -2.65 0.41 0.00 0.00 173.24 173.13 1a12 n PRO 388 N 1.10 2.05 -4.54 12.44 -0.02 -1.26 -4.73 135.00 140.03 1a12 n PRO 388 Ca -0.19 0.73 -0.28 0.00 -2.02 0.00 0.00 63.50 61.74 1a12 n PRO 388 Cb 0.53 -2.39 -0.17 0.00 -0.02 0.00 0.00 33.50 31.45 1a12 n PRO 388 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1a12 s VAL 389 N -0.03 1.51 0.08 -1.45 1.01 0.17 -4.89 120.40 116.81 1a12 s VAL 389 Ca 0.68 -0.66 -0.31 0.00 0.00 0.00 0.00 61.98 61.69 1a12 s VAL 389 Cb -0.65 -1.37 -0.07 0.00 0.00 0.00 0.00 36.38 34.29 1a12 s VAL 389 CO 0.49 0.44 1.41 -0.70 0.00 0.00 0.00 175.10 176.75 1a12 s GLU 390 N 0.89 4.30 0.08 2.72 2.12 -1.26 -1.10 118.70 126.45 1a12 s GLU 390 Ca -0.09 2.07 -0.30 0.00 0.36 0.00 0.00 54.97 57.01 1a12 s GLU 390 Cb -0.15 -3.36 -0.06 0.00 0.26 0.00 0.00 34.13 30.82 1a12 s GLU 390 CO -0.00 -0.50 1.10 -1.64 -0.54 0.00 0.00 175.26 173.68 1a12 s MET 391 N 1.55 4.53 0.00 4.30 -1.94 0.10 -4.95 119.30 122.89 1a12 s MET 391 Ca 0.65 1.65 0.00 0.00 -1.71 0.00 0.00 55.69 56.28 1a12 s MET 391 Cb -0.36 -3.36 0.00 0.00 2.01 0.00 0.00 34.83 33.12 1a12 s MET 391 CO 0.29 -0.08 0.00 -1.33 -0.01 0.00 0.00 175.02 173.89 1a12 n MET 392 N 3.42 1.63 0.00 2.03 0.00 -1.26 -4.70 117.12 118.23 1a12 n MET 392 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.76 1a12 n MET 392 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.70 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 2.34 2.30 0.14 3.03 0.00 -1.26 -4.75 105.19 106.99 1a12 n GLY 393 Ca 0.00 -2.16 -0.06 0.00 0.00 0.00 0.00 46.02 43.79 1a12 n GLY 393 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a12 h LYS 394 N 0.00 0.18 0.00 1.61 1.79 -1.97 -2.08 116.57 116.10 1a12 h LYS 394 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1a12 h LYS 394 Cb 0.00 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1a12 h LYS 394 CO 0.00 0.12 0.00 1.04 -1.08 0.00 0.00 179.45 179.53 1a12 n GLN 395 N -5.08 0.15 0.00 3.15 1.13 -1.26 -2.09 117.38 113.37 1a12 n GLN 395 Ca 0.01 0.08 0.10 0.00 -1.94 0.00 0.00 57.00 55.25 1a12 n GLN 395 Cb 0.14 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 28.90 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 -1.41 1.21 -4.74 1.08 4.77 -0.81 -4.86 117.00 112.25 1a12 n LEU 396 Ca 0.08 -0.56 -0.42 0.00 -0.03 0.00 0.00 56.01 55.09 1a12 n LEU 396 Cb 0.24 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1a12 n LEU 396 CO 0.20 0.27 1.19 -1.61 -1.33 0.00 0.00 177.39 176.12 1a12 s GLU 397 N -2.86 4.21 -1.42 3.23 2.02 -0.89 -2.75 118.70 120.25 1a12 s GLU 397 Ca 0.10 2.40 -0.10 0.00 0.02 0.00 0.00 54.97 57.39 1a12 s GLU 397 Cb 0.16 -3.10 0.04 0.00 0.10 0.00 0.00 34.13 31.33 1a12 s GLU 397 CO 0.79 -0.54 1.07 0.09 0.02 0.00 0.00 175.26 176.69 1a12 n ASN 398 N 2.92 -5.24 -3.84 -0.19 3.02 -1.26 -4.90 115.26 105.76 1a12 n ASN 398 Ca 0.10 -0.65 -0.11 0.00 -0.03 0.00 0.00 54.58 53.89 1a12 n ASN 398 Cb 0.39 -4.55 -0.09 0.00 -0.61 0.00 0.00 39.78 34.92 1a12 n ASN 398 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1a12 s ARG 399 N -6.36 0.62 -0.10 3.52 0.52 -1.11 0.15 118.95 116.18 1a12 s ARG 399 Ca 0.55 -0.50 -0.01 0.00 -0.52 0.00 0.00 55.73 55.26 1a12 s ARG 399 Cb -0.26 0.26 -0.03 0.00 0.52 0.00 0.00 34.95 35.44 1a12 s ARG 399 CO 0.77 -0.17 -0.06 0.14 0.02 0.00 0.00 175.30 176.00 1a12 s VAL 400 N -2.00 3.74 0.06 3.52 -7.23 -0.18 -4.70 120.40 113.59 1a12 s VAL 400 Ca -0.09 -0.45 -0.29 0.00 -1.81 0.00 0.00 61.98 59.34 1a12 s VAL 400 Cb -0.04 -2.57 -0.05 0.00 0.56 0.00 0.00 36.38 34.29 1a12 s VAL 400 CO -0.01 0.56 0.91 -0.69 -0.31 0.00 0.00 175.10 175.56 1a12 s VAL 401 N -0.35 4.68 -0.20 1.32 1.01 0.41 -0.95 120.40 126.33 1a12 s VAL 401 Ca 0.05 1.94 0.08 0.00 0.00 0.00 0.00 61.98 64.05 1a12 s VAL 401 Cb -0.12 -4.26 -0.22 0.00 0.00 0.00 0.00 36.38 31.78 1a12 s VAL 401 CO 0.02 0.28 0.05 0.18 0.00 0.00 0.00 175.10 175.63 1a12 n LEU 402 N 3.14 1.61 -3.71 3.92 4.77 0.78 -4.66 117.00 122.85 1a12 n LEU 402 Ca 0.02 0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.92 1a12 n LEU 402 Cb 0.50 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1a12 n LEU 402 CO 0.50 0.71 0.38 -0.94 -1.33 0.00 0.00 177.39 176.71 1a12 s SER 403 N -6.15 -0.34 -0.03 -1.43 1.04 -1.05 -4.97 113.70 100.77 1a12 s SER 403 Ca -0.21 -0.42 -0.02 0.00 0.48 0.00 0.00 55.95 55.78 1a12 s SER 403 Cb 0.07 0.64 0.01 0.00 0.10 0.00 0.00 66.02 66.85 1a12 s SER 403 CO 0.73 -1.15 0.07 0.54 0.98 0.00 0.00 173.24 174.41 1a12 s VAL 404 N -3.86 -0.01 0.04 5.02 0.11 -1.26 -1.35 120.40 119.09 1a12 s VAL 404 Ca 0.08 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 1a12 s VAL 404 Cb -0.03 -0.11 -0.03 0.00 -1.53 0.00 0.00 36.38 34.68 1a12 s VAL 404 CO -0.01 0.02 -0.05 -0.55 -3.33 0.00 0.00 175.10 171.18 1a12 s SER 405 N 0.32 0.57 -0.06 3.54 0.15 -0.30 -4.72 113.70 113.20 1a12 s SER 405 Ca -0.02 -0.72 -0.14 0.00 0.70 0.00 0.00 55.95 55.77 1a12 s SER 405 Cb -0.04 0.11 0.03 0.00 -1.71 0.00 0.00 66.02 64.41 1a12 s SER 405 CO -0.01 -0.39 0.32 -0.55 1.20 0.00 0.00 173.24 173.82 1a12 s SER 406 N -2.12 -0.26 0.00 5.45 0.15 -1.26 -0.62 113.70 115.04 1a12 s SER 406 Ca -0.04 0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1a12 s SER 406 Cb -0.03 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1a12 s SER 406 CO -0.04 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1a12 n GLY 407 N 1.94 4.60 0.08 9.45 0.00 -0.26 -4.24 105.19 116.77 1a12 n GLY 407 Ca -0.18 -1.61 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.07 0.00 -0.02 0.00 -1.56 -1.89 103.07 99.53 1a12 h GLY 408 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1a12 h GLY 408 CO 0.00 -0.02 0.00 -1.06 0.00 0.00 0.00 176.54 175.46 1a12 n GLN 409 N -4.87 0.46 -4.27 4.80 6.02 -1.26 -4.57 117.38 113.68 1a12 n GLN 409 Ca -0.09 -0.56 -0.15 0.00 -0.01 0.00 0.00 57.00 56.20 1a12 n GLN 409 Cb 0.27 -0.65 -0.10 0.00 1.02 0.00 0.00 30.24 30.78 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 -0.19 1.39 -0.00 1.08 -3.43 -1.26 -0.63 115.29 112.25 1a12 s HIS 410 Ca 0.00 -1.23 -0.00 0.00 -0.80 0.00 0.00 55.06 53.03 1a12 s HIS 410 Cb 0.00 -0.78 0.00 0.00 -1.43 0.00 0.00 32.58 30.37 1a12 s HIS 410 CO 0.00 -0.42 0.00 0.99 -2.00 0.00 0.00 174.74 173.31 1a12 s THR 411 N -3.87 -0.00 -0.15 -5.38 2.01 -0.05 -1.10 115.64 107.09 1a12 s THR 411 Ca 0.37 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.39 1a12 s THR 411 Cb 0.07 -0.01 0.01 0.00 0.01 0.00 0.00 72.50 72.59 1a12 s THR 411 CO 0.12 0.00 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.16 1a12 s VAL 412 N 0.01 1.95 0.11 3.82 1.01 0.21 -1.75 120.40 125.76 1a12 s VAL 412 Ca -0.00 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.13 1a12 s VAL 412 Cb -0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1a12 s VAL 412 CO -0.00 0.53 0.04 -0.76 0.00 0.00 0.00 175.10 174.90 1a12 s LEU 413 N 1.05 3.55 -0.15 3.92 1.43 0.12 -1.15 118.68 127.45 1a12 s LEU 413 Ca -0.02 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1a12 s LEU 413 Cb -0.14 -2.24 -0.00 0.00 0.03 0.00 0.00 46.19 43.83 1a12 s LEU 413 CO -0.06 0.14 -0.16 -0.22 0.23 0.00 0.00 176.35 176.28 1a12 s LEU 414 N -2.56 2.46 0.21 1.79 2.96 -0.46 -1.22 118.68 121.86 1a12 s LEU 414 Ca 0.27 -0.48 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 1a12 s LEU 414 Cb -0.11 -1.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 1a12 s LEU 414 CO 0.20 0.09 -0.03 0.68 -1.32 0.00 0.00 176.35 175.96 1a12 s VAL 415 N 0.80 1.13 0.01 1.68 -7.23 0.13 -0.16 120.40 116.76 1a12 s VAL 415 Ca -0.06 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.08 1a12 s VAL 415 Cb -0.15 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.55 1a12 s VAL 415 CO -0.00 -0.43 -0.06 -0.75 -0.31 0.00 0.00 175.10 173.54 1a12 s LYS 416 N -3.82 0.49 0.17 4.82 2.20 -0.12 0.12 119.74 123.60 1a12 s LYS 416 Ca 0.26 -0.38 -0.33 0.00 -0.36 0.00 0.00 55.97 55.15 1a12 s LYS 416 Cb 0.05 -0.41 -0.13 0.00 -1.51 0.00 0.00 37.83 35.83 1a12 s LYS 416 CO 0.07 0.10 1.65 -0.25 -0.36 0.00 0.00 175.35 176.56 1a12 n ASP 417 N 2.47 3.49 -2.72 1.43 8.00 -1.26 -1.01 116.55 126.96 1a12 n ASP 417 Ca -0.16 1.07 -0.14 0.00 0.71 0.00 0.00 54.79 56.27 1a12 n ASP 417 Cb 0.57 -1.49 -0.05 0.00 -0.02 0.00 0.00 41.12 40.13 1a12 n ASP 417 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1a12 n LYS 418 N 3.80 1.56 0.00 -1.24 4.81 0.12 -4.70 118.16 122.51 1a12 n LYS 418 Ca 0.17 -1.00 0.00 0.00 -0.87 0.00 0.00 58.31 56.61 1a12 n LYS 418 Cb 0.31 -2.11 0.00 0.00 0.02 0.00 0.00 35.03 33.25 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 3.51 0.00 -3.54 1.64 -0.58 -1.26 -4.86 120.64 115.55 1a12 n GLU 419 Ca 0.33 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.78 1a12 n GLU 419 Cb 0.30 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.04 1a12 n GLU 419 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1a12 s GLN 420 N 0.00 0.57 0.00 3.49 -1.52 -1.26 -5.15 119.66 115.78 1a12 s GLN 420 Ca 0.00 -1.18 0.00 0.00 -1.95 0.00 0.00 55.36 52.23 1a12 s GLN 420 Cb 0.00 -1.47 0.00 0.00 -0.22 0.00 0.00 33.01 31.32 1a12 s GLN 420 CO 0.00 -1.13 0.00 0.43 -0.25 0.00 0.00 175.29 174.34