#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2psb s LEU 14 N 0.00 1.40 0.22 -5.58 0.05 -1.25 -4.65 118.68 108.87 2psb s LEU 14 Ca 0.00 1.57 0.06 0.00 0.05 0.00 0.00 54.13 55.81 2psb s LEU 14 Cb 0.00 -3.64 -0.03 0.00 -2.05 0.00 0.00 46.19 40.46 2psb s LEU 14 CO 0.00 -3.72 0.23 -0.54 -0.55 0.00 0.00 176.35 171.77 2psb s LYS 15 N -4.62 3.08 0.10 1.48 1.02 -1.26 0.31 119.74 119.85 2psb s LYS 15 Ca 0.67 -0.91 -0.25 0.00 0.02 0.00 0.00 55.97 55.50 2psb s LYS 15 Cb -0.23 -2.69 -0.06 0.00 -0.52 0.00 0.00 37.83 34.33 2psb s LYS 15 CO 0.62 0.44 0.78 0.00 -0.92 0.00 0.00 175.35 176.26 2psb s ALA 16 N -1.98 3.40 0.19 5.17 0.00 0.25 -4.76 121.76 124.03 2psb s ALA 16 Ca 0.33 0.33 -0.12 0.00 0.00 0.00 0.00 51.96 52.50 2psb s ALA 16 Cb -0.09 -2.99 0.21 0.00 0.00 0.00 0.00 23.12 20.25 2psb s ALA 16 CO 0.26 0.15 1.72 -1.35 0.00 0.00 0.00 175.76 176.54 2psb h PRO 17 N 5.12 0.27 -0.05 0.00 0.11 -1.89 0.23 132.00 135.79 2psb h PRO 17 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2psb h PRO 17 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2psb h PRO 17 CO 0.69 0.18 0.00 1.28 -0.21 0.00 0.00 178.00 179.94 2psb n LEU 18 N -5.08 2.19 0.00 2.35 4.77 -1.26 -1.19 117.00 118.78 2psb n LEU 18 Ca 0.06 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 2psb n LEU 18 Cb 0.25 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2psb n LEU 18 CO 0.21 0.38 -0.28 1.07 -1.33 0.00 0.00 177.39 177.43 2psb n THR 19 N 0.71 0.00 -0.90 -5.08 5.66 -1.15 -4.76 114.28 108.75 2psb n THR 19 Ca 0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.17 2psb n THR 19 Cb 0.46 -0.43 0.00 0.00 -1.55 0.00 0.00 70.33 68.81 2psb n THR 19 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2psb n GLY 20 N 1.84 1.06 3.87 1.09 0.00 0.80 0.24 105.19 114.09 2psb n GLY 20 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2psb n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2psb s LEU 21 N 0.00 4.14 0.51 0.99 1.02 -1.26 -4.64 118.68 119.44 2psb s LEU 21 Ca 0.00 1.02 -0.22 0.00 0.02 0.00 0.00 54.13 54.96 2psb s LEU 21 Cb 0.00 -3.80 -0.06 0.00 0.02 0.00 0.00 46.19 42.35 2psb s LEU 21 CO 0.00 -0.11 1.22 -0.54 0.02 0.00 0.00 176.35 176.94 2psb s LYS 22 N -2.87 3.43 0.32 1.70 1.02 -1.26 0.86 119.74 122.94 2psb s LYS 22 Ca 0.49 1.90 -0.05 0.00 0.02 0.00 0.00 55.97 58.34 2psb s LYS 22 Cb -0.11 -2.26 0.02 0.00 -0.52 0.00 0.00 37.83 34.96 2psb s LYS 22 CO 0.20 -0.86 0.51 0.25 -0.92 0.00 0.00 175.35 174.53 2psb n THR 23 N -0.87 0.00 -2.53 2.17 -2.24 0.15 -4.75 114.28 106.20 2psb n THR 23 Ca 0.09 -1.35 -0.31 0.00 -2.27 0.00 0.00 64.05 60.21 2psb n THR 23 Cb 0.48 0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 69.62 2psb n THR 23 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2psb s GLU 24 N -2.51 3.81 0.25 -0.78 2.02 -1.26 -3.84 118.70 116.39 2psb s GLU 24 Ca 0.22 0.68 -0.03 0.00 0.02 0.00 0.00 54.97 55.86 2psb s GLU 24 Cb -0.02 -2.25 0.50 0.00 0.10 0.00 0.00 34.13 32.46 2psb s GLU 24 CO 0.16 -0.21 1.72 0.37 0.02 0.00 0.00 175.26 177.32 2psb h GLN 25 N 0.86 0.42 -0.40 1.61 -0.00 -2.01 -2.50 115.11 113.09 2psb h GLN 25 Ca -0.47 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.16 2psb h GLN 25 Cb 1.19 -0.09 -0.02 0.00 0.00 0.00 0.00 27.48 28.55 2psb h GLN 25 CO 0.62 0.28 0.26 1.57 0.00 0.00 0.00 178.83 181.56 2psb h LYS 26 N 0.43 0.52 0.00 1.69 -0.00 -2.02 -1.79 116.57 115.40 2psb h LYS 26 Ca 0.44 -0.03 -0.07 0.00 -0.00 0.00 0.00 60.65 60.98 2psb h LYS 26 Cb 0.69 -0.12 -0.01 0.00 -0.00 0.00 0.00 32.23 32.79 2psb h LYS 26 CO -0.43 0.34 -0.34 -0.24 -0.00 0.00 0.00 179.45 178.79 2psb h VAL 27 N 0.53 1.18 -0.08 0.07 3.04 -1.83 -2.67 116.25 116.49 2psb h VAL 27 Ca 0.15 -1.18 0.02 0.00 -1.01 0.00 0.00 66.70 64.68 2psb h VAL 27 Cb -0.06 1.65 -0.00 0.00 -2.01 0.00 0.00 31.29 30.87 2psb h VAL 27 CO -0.03 0.33 0.35 0.74 -1.01 0.00 0.00 177.57 177.95 2psb h THR 28 N 0.00 0.09 -0.01 3.17 2.02 -1.37 0.09 112.91 116.90 2psb h THR 28 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2psb h THR 28 Cb 0.62 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2psb h THR 28 CO 0.04 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.31 2psb n GLU 29 N -3.07 0.04 -2.20 6.66 1.02 -1.01 -4.48 120.64 117.59 2psb n GLU 29 Ca -0.00 -0.94 -0.43 0.00 -0.02 0.00 0.00 57.16 55.77 2psb n GLU 29 Cb 0.42 -1.14 -0.02 0.00 -0.02 0.00 0.00 31.44 30.67 2psb n GLU 29 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2psb s ARG 30 N -0.62 3.88 0.33 3.49 3.52 0.02 0.98 118.95 130.54 2psb s ARG 30 Ca 0.09 1.59 -0.29 0.00 -0.13 0.00 0.00 55.73 56.99 2psb s ARG 30 Cb 0.06 -3.97 -0.11 0.00 -1.56 0.00 0.00 34.95 29.37 2psb s ARG 30 CO 0.09 -1.18 1.46 0.50 -0.81 0.00 0.00 175.30 175.36 2psb s ARG 31 N 4.43 4.20 0.48 5.12 3.52 -0.38 -4.74 118.95 131.59 2psb s ARG 31 Ca 0.67 2.44 -0.24 0.00 -0.13 0.00 0.00 55.73 58.47 2psb s ARG 31 Cb -0.23 -3.03 -0.07 0.00 -1.56 0.00 0.00 34.95 30.06 2psb s ARG 31 CO 0.27 -0.45 1.36 -2.14 -0.81 0.00 0.00 175.30 173.53 2psb s PRO 32 N -1.39 3.50 -0.19 5.12 0.02 -1.26 -4.86 135.00 135.96 2psb s PRO 32 Ca 0.55 2.25 0.01 0.00 0.02 0.00 0.00 61.00 63.83 2psb s PRO 32 Cb -0.44 -2.48 0.03 0.00 0.02 0.00 0.00 34.50 31.62 2psb s PRO 32 CO 0.54 -0.90 -0.16 0.08 -0.33 0.00 0.00 177.00 176.22 2psb s VAL 33 N -1.28 1.92 -0.32 3.83 1.01 -0.09 -1.55 120.40 123.92 2psb s VAL 33 Ca 0.65 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 2psb s VAL 33 Cb -0.40 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.18 2psb s VAL 33 CO 0.50 0.40 0.12 0.00 0.00 0.00 0.00 175.10 176.12 2psb s ALA 34 N 1.32 3.15 -0.15 5.51 0.00 -0.33 -0.67 121.76 130.60 2psb s ALA 34 Ca 0.02 -1.52 -0.04 0.00 0.00 0.00 0.00 51.96 50.43 2psb s ALA 34 Cb -0.14 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.66 2psb s ALA 34 CO -0.11 -1.04 -0.02 0.08 0.00 0.00 0.00 175.76 174.66 2psb s VAL 35 N 1.52 4.02 -0.35 0.00 1.01 -0.29 -0.91 120.40 125.40 2psb s VAL 35 Ca 0.02 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 2psb s VAL 35 Cb -0.18 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.47 2psb s VAL 35 CO 0.04 0.51 1.08 -0.69 0.00 0.00 0.00 175.10 176.03 2psb s VAL 36 N 0.17 4.46 -0.17 2.92 1.01 -0.45 -0.81 120.40 127.54 2psb s VAL 36 Ca -0.01 1.62 -0.03 0.00 0.00 0.00 0.00 61.98 63.57 2psb s VAL 36 Cb -0.14 -4.44 -0.02 0.00 0.00 0.00 0.00 36.38 31.78 2psb s VAL 36 CO 0.02 -0.57 -0.07 -0.69 0.00 0.00 0.00 175.10 173.80 2psb s VAL 37 N 3.78 3.50 0.04 2.92 1.01 0.10 -2.17 120.40 129.58 2psb s VAL 37 Ca 0.45 -0.48 -0.35 0.00 0.00 0.00 0.00 61.98 61.60 2psb s VAL 37 Cb -0.11 -2.53 -0.14 0.00 0.00 0.00 0.00 36.38 33.60 2psb s VAL 37 CO 0.18 0.48 1.66 -3.20 0.00 0.00 0.00 175.10 174.22 2psb n ASN 38 N 3.90 2.98 -0.34 3.32 4.05 0.08 -1.20 115.26 128.05 2psb n ASN 38 Ca -0.18 1.05 0.08 0.00 0.45 0.00 0.00 54.58 55.98 2psb n ASN 38 Cb 0.52 -1.36 0.15 0.00 1.23 0.00 0.00 39.78 40.33 2psb n ASN 38 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 2psb n ASN 39 N 4.52 1.94 -4.77 1.20 5.15 -1.25 -4.70 115.26 117.35 2psb n ASN 39 Ca 0.20 -3.28 -0.39 0.00 -0.60 0.00 0.00 54.58 50.50 2psb n ASN 39 Cb 0.27 -0.45 -0.03 0.00 -0.53 0.00 0.00 39.78 39.03 2psb n ASN 39 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 2psb s HIS 40 N -2.74 3.33 0.31 1.20 5.65 -1.26 -4.65 115.29 117.14 2psb s HIS 40 Ca 0.32 1.61 0.10 0.00 0.25 0.00 0.00 55.06 57.34 2psb s HIS 40 Cb 0.30 -3.35 0.95 0.00 -1.18 0.00 0.00 32.58 29.30 2psb s HIS 40 CO -0.01 -0.94 1.47 -2.30 -0.65 0.00 0.00 174.74 172.30 2psb n PRO 41 N 0.70 -0.07 0.00 2.88 -0.02 -1.26 0.55 135.00 137.78 2psb n PRO 41 Ca 0.01 1.35 0.07 0.00 -2.02 0.00 0.00 63.50 62.91 2psb n PRO 41 Cb 0.45 -2.26 0.30 0.00 -0.02 0.00 0.00 33.50 31.97 2psb n PRO 41 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2psb n LYS 42 N -5.26 0.03 0.00 -0.52 4.76 -1.26 -2.65 118.16 113.26 2psb n LYS 42 Ca 0.28 0.25 0.12 0.00 -2.87 0.00 0.00 58.31 56.09 2psb n LYS 42 Cb 0.93 -1.50 0.25 0.00 -1.84 0.00 0.00 35.03 32.87 2psb n LYS 42 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2psb n ALA 43 N -1.47 3.12 -2.55 7.82 0.00 0.19 -4.92 120.51 122.70 2psb n ALA 43 Ca 0.04 -0.51 -0.38 0.00 0.00 0.00 0.00 53.44 52.59 2psb n ALA 43 Cb 0.15 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 2psb n ALA 43 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2psb s ARG 44 N -2.39 3.85 0.37 0.00 0.52 -1.08 -3.34 118.95 116.88 2psb s ARG 44 Ca 0.24 0.34 -0.20 0.00 -0.52 0.00 0.00 55.73 55.59 2psb s ARG 44 Cb 0.19 -3.20 -0.10 0.00 0.52 0.00 0.00 34.95 32.36 2psb s ARG 44 CO 0.50 0.69 0.87 -1.25 0.02 0.00 0.00 175.30 176.13 2psb s PRO 45 N -1.13 4.22 0.83 3.54 0.04 -1.26 -5.08 135.00 136.15 2psb s PRO 45 Ca 0.23 1.00 -0.10 0.00 0.04 0.00 0.00 61.00 62.18 2psb s PRO 45 Cb -0.16 -2.40 0.14 0.00 0.04 0.00 0.00 34.50 32.12 2psb s PRO 45 CO 0.13 0.10 1.16 -0.65 0.04 0.00 0.00 177.00 177.77 2psb s GLN 46 N -2.87 1.37 -0.10 4.56 1.11 -1.21 -4.49 119.66 118.03 2psb s GLN 46 Ca 0.57 -0.51 0.00 0.00 0.01 0.00 0.00 55.36 55.42 2psb s GLN 46 Cb -0.11 -2.05 -0.02 0.00 -1.01 0.00 0.00 33.01 29.81 2psb s GLN 46 CO 0.16 -1.83 -0.10 -1.12 0.01 0.00 0.00 175.29 172.41 2psb s SER 47 N -4.74 4.30 0.00 5.90 0.01 0.69 -0.97 113.70 118.89 2psb s SER 47 Ca 0.68 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.75 2psb s SER 47 Cb -0.06 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 64.79 2psb s SER 47 CO 0.49 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.99 2psb n GLY 48 N 2.97 1.03 0.16 3.44 0.00 -1.24 -2.35 105.19 109.20 2psb n GLY 48 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.97 2psb n GLY 48 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2psb h LEU 49 N 0.00 0.00 0.00 0.99 3.38 -1.92 -2.29 115.31 115.47 2psb h LEU 49 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2psb h LEU 49 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2psb h LEU 49 CO 0.00 0.00 -0.08 -1.54 0.09 0.00 0.00 178.44 176.91 2psb n SER 50 N -2.35 0.53 -0.13 -0.43 3.41 -1.26 -3.24 113.62 110.15 2psb n SER 50 Ca 0.01 0.47 0.11 0.00 -0.26 0.00 0.00 58.87 59.20 2psb n SER 50 Cb 0.18 -0.56 -0.01 0.00 -0.26 0.00 0.00 64.21 63.56 2psb n SER 50 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2psb n LYS 51 N -1.97 0.34 -2.61 4.33 4.76 -0.86 -4.95 118.16 117.18 2psb n LYS 51 Ca 0.06 -0.27 -0.41 0.00 -2.87 0.00 0.00 58.31 54.82 2psb n LYS 51 Cb 0.40 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 32.05 2psb n LYS 51 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2psb s ALA 52 N -2.85 3.34 0.07 7.82 0.00 -1.20 -4.18 121.76 124.76 2psb s ALA 52 Ca 0.12 0.73 -0.12 0.00 0.00 0.00 0.00 51.96 52.68 2psb s ALA 52 Cb 0.17 -3.30 -0.25 0.00 0.00 0.00 0.00 23.12 19.74 2psb s ALA 52 CO 0.75 -0.07 1.15 -0.44 0.00 0.00 0.00 175.76 177.15 2psb h ASP 53 N 4.86 0.79 -3.71 0.00 3.32 -1.40 -3.46 116.42 116.83 2psb h ASP 53 Ca -0.44 -0.71 -0.36 0.00 0.02 0.00 0.00 57.03 55.54 2psb h ASP 53 Cb 1.21 -0.25 -0.31 0.00 0.22 0.00 0.00 39.33 40.20 2psb h ASP 53 CO 0.71 1.52 -0.76 -0.63 -1.72 0.00 0.00 179.24 178.36 2psb s ILE 54 N -3.05 0.43 -0.06 0.35 1.01 -1.06 -1.53 121.20 117.29 2psb s ILE 54 Ca -0.08 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.44 2psb s ILE 54 Cb 0.06 -0.42 0.01 0.00 0.01 0.00 0.00 42.46 42.13 2psb s ILE 54 CO 0.92 0.16 -0.12 -0.69 0.00 0.00 0.00 174.94 175.21 2psb s VAL 55 N 0.38 1.09 -0.15 2.92 1.01 -0.79 0.25 120.40 125.12 2psb s VAL 55 Ca -0.04 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.50 2psb s VAL 55 Cb -0.08 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.30 2psb s VAL 55 CO -0.00 0.35 -0.19 -0.63 0.00 0.00 0.00 175.10 174.62 2psb s ILE 56 N 0.69 2.35 -0.10 2.22 1.09 0.31 -0.72 121.20 127.02 2psb s ILE 56 Ca -0.14 -0.88 -0.02 0.00 -1.10 0.00 0.00 60.65 58.51 2psb s ILE 56 Cb -0.16 -1.96 -0.03 0.00 -1.06 0.00 0.00 42.46 39.25 2psb s ILE 56 CO 0.03 0.53 -0.03 -0.70 -0.10 0.00 0.00 174.94 174.68 2psb s GLU 57 N 0.80 3.12 0.12 2.79 2.12 0.13 -0.88 118.70 126.90 2psb s GLU 57 Ca -0.07 -0.47 -0.21 0.00 0.36 0.00 0.00 54.97 54.58 2psb s GLU 57 Cb -0.15 -2.78 0.06 0.00 0.26 0.00 0.00 34.13 31.51 2psb s GLU 57 CO -0.01 0.57 0.53 0.00 -0.54 0.00 0.00 175.26 175.81 2psb s ALA 58 N -0.52 -1.37 0.31 6.30 0.00 -0.73 -1.22 121.76 124.52 2psb s ALA 58 Ca 0.08 0.38 -0.29 0.00 0.00 0.00 0.00 51.96 52.13 2psb s ALA 58 Cb -0.12 0.72 -0.10 0.00 0.00 0.00 0.00 23.12 23.62 2psb s ALA 58 CO 0.02 -0.68 1.36 -0.51 0.00 0.00 0.00 175.76 175.95 2psb s LEU 59 N -2.59 4.41 0.00 0.00 1.43 -1.26 -0.33 118.68 120.34 2psb s LEU 59 Ca 0.00 2.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 2psb s LEU 59 Cb -0.00 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.58 2psb s LEU 59 CO -0.10 -0.61 0.00 0.00 0.23 0.00 0.00 176.35 175.87 2psb n ALA 60 N 1.29 1.37 -2.55 4.21 0.00 -0.31 -4.82 120.51 119.72 2psb n ALA 60 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.03 2psb n ALA 60 Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 2psb n ALA 60 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2psb s GLU 61 N 0.00 3.41 6.28 0.00 2.56 -1.15 -4.90 118.70 124.90 2psb s GLU 61 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.97 54.88 2psb s GLU 61 Cb 0.00 -3.94 0.00 0.00 2.00 0.00 0.00 34.13 32.19 2psb s GLU 61 CO 0.00 -1.14 0.00 0.41 -0.56 0.00 0.00 175.26 173.97 2psb n GLY 62 N 4.99 3.88 1.71 -1.50 0.00 -1.26 -0.26 105.19 112.74 2psb n GLY 62 Ca 0.03 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.31 2psb n GLY 62 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2psb n GLN 63 N 14.00 4.25 -3.86 1.61 -0.06 -1.26 -4.92 117.38 127.15 2psb n GLN 63 Ca 0.00 -3.02 -0.37 0.00 -2.00 0.00 0.00 57.00 51.61 2psb n GLN 63 Cb 0.00 -2.06 -0.06 0.00 -4.06 0.00 0.00 30.24 24.05 2psb n GLN 63 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2psb s ILE 64 N -2.29 5.49 0.37 1.69 -1.09 0.64 -4.70 121.20 121.32 2psb s ILE 64 Ca 0.53 0.21 0.04 0.00 -2.23 0.00 0.00 60.65 59.19 2psb s ILE 64 Cb 0.37 -3.41 -0.01 0.00 -1.58 0.00 0.00 42.46 37.83 2psb s ILE 64 CO 0.20 0.59 0.54 0.42 -1.23 0.00 0.00 174.94 175.46 2psb s THR 65 N -0.81 4.10 0.03 2.92 -4.23 -1.26 -1.16 115.64 115.23 2psb s THR 65 Ca 0.14 -0.81 -0.03 0.00 -1.18 0.00 0.00 61.69 59.81 2psb s THR 65 Cb -0.12 -3.46 -0.02 0.00 1.34 0.00 0.00 72.50 70.25 2psb s THR 65 CO 0.03 -0.23 0.04 -0.60 -0.54 0.00 0.00 174.62 173.32 2psb s ARG 66 N -4.31 0.46 0.18 3.99 3.52 0.55 -3.76 118.95 119.58 2psb s ARG 66 Ca 0.46 -0.69 0.05 0.00 -0.13 0.00 0.00 55.73 55.42 2psb s ARG 66 Cb -0.10 0.17 -0.04 0.00 -1.56 0.00 0.00 34.95 33.43 2psb s ARG 66 CO 0.34 -0.10 0.15 -0.06 -0.81 0.00 0.00 175.30 174.82 2psb s PHE 67 N -2.08 3.14 -0.24 5.12 2.99 -0.34 -1.78 117.98 124.79 2psb s PHE 67 Ca -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 56.93 56.80 2psb s PHE 67 Cb -0.05 -1.49 0.06 0.00 0.00 0.00 0.00 43.02 41.54 2psb s PHE 67 CO -0.03 0.52 -0.03 -1.17 -0.00 0.00 0.00 175.22 174.52 2psb s LEU 68 N -3.24 2.40 -0.33 -0.37 2.96 -0.05 0.03 118.68 120.07 2psb s LEU 68 Ca 0.31 -1.18 -0.11 0.00 -0.22 0.00 0.00 54.13 52.93 2psb s LEU 68 Cb -0.10 -1.08 -0.01 0.00 0.50 0.00 0.00 46.19 45.50 2psb s LEU 68 CO 0.24 -0.26 0.20 0.00 -1.32 0.00 0.00 176.35 175.20 2psb s ALA 69 N 1.47 3.40 -0.33 5.97 0.00 0.01 -0.53 121.76 131.74 2psb s ALA 69 Ca -0.04 -1.38 -0.12 0.00 0.00 0.00 0.00 51.96 50.42 2psb s ALA 69 Cb -0.18 -2.53 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 2psb s ALA 69 CO -0.08 -0.93 0.22 0.42 0.00 0.00 0.00 175.76 175.39 2psb s ILE 70 N 1.67 5.18 -0.05 0.00 1.01 0.14 -1.13 121.20 128.01 2psb s ILE 70 Ca 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.48 2psb s ILE 70 Cb -0.17 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 2psb s ILE 70 CO 0.08 0.03 0.05 -0.36 0.00 0.00 0.00 174.94 174.74 2psb s PHE 71 N 1.71 3.26 0.36 3.97 0.40 0.16 -1.00 117.98 126.83 2psb s PHE 71 Ca 0.06 0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.62 2psb s PHE 71 Cb -0.17 -1.78 0.00 0.00 0.51 0.00 0.00 43.02 41.58 2psb s PHE 71 CO 0.10 0.54 0.00 0.94 0.70 0.00 0.00 175.22 177.49 2psb n GLN 72 N 1.71 0.00 0.19 0.44 0.00 -1.26 -0.91 117.38 117.55 2psb n GLN 72 Ca -0.16 0.00 0.13 0.00 -0.00 0.00 0.00 57.00 56.97 2psb n GLN 72 Cb 0.53 0.00 0.36 0.00 0.00 0.00 0.00 30.24 31.13 2psb n GLN 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2psb h SER 73 N 0.00 0.00 -2.51 1.69 4.64 -1.91 -3.47 113.55 111.98 2psb h SER 73 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 2psb h SER 73 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2psb h SER 73 CO 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 175.88 2psb n GLN 74 N -2.78 0.17 -4.11 4.77 6.02 -1.26 -5.07 117.38 115.12 2psb n GLN 74 Ca 0.04 -0.89 -0.08 0.00 -0.01 0.00 0.00 57.00 56.06 2psb n GLN 74 Cb 0.43 0.80 -0.10 0.00 1.02 0.00 0.00 30.24 32.39 2psb n GLN 74 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2psb s PRO 76 N -2.30 0.67 0.00 -1.09 0.04 -1.26 -4.60 135.00 126.45 2psb s PRO 76 Ca 0.10 -1.23 0.00 0.00 0.04 0.00 0.00 61.00 59.91 2psb s PRO 76 Cb 0.00 0.07 0.00 0.00 0.04 0.00 0.00 34.50 34.61 2psb s PRO 76 CO 0.07 -0.08 0.00 0.39 0.04 0.00 0.00 177.00 177.42 2psb n GLU 77 N 0.13 0.00 -3.70 4.56 -0.58 -1.26 -3.14 120.64 116.64 2psb n GLU 77 Ca -0.14 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.30 2psb n GLU 77 Cb 0.61 -0.17 -0.04 0.00 -0.57 0.00 0.00 31.44 31.27 2psb n GLU 77 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2psb s THR 78 N -0.00 5.20 -0.06 2.62 -4.23 -1.26 -1.65 115.64 116.26 2psb s THR 78 Ca 0.00 -0.14 -0.04 0.00 -1.18 0.00 0.00 61.69 60.32 2psb s THR 78 Cb 0.00 -3.66 0.02 0.00 1.34 0.00 0.00 72.50 70.20 2psb s THR 78 CO 0.00 -0.03 0.14 0.54 -0.54 0.00 0.00 174.62 174.74 2psb s VAL 79 N -1.72 -0.01 -5.00 2.29 0.11 -0.34 -3.68 120.40 112.05 2psb s VAL 79 Ca 0.40 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.49 2psb s VAL 79 Cb -0.12 -0.21 0.00 0.00 -1.53 0.00 0.00 36.38 34.52 2psb s VAL 79 CO 0.27 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.66 2psb n GLY 80 N 3.29 -0.45 3.76 6.54 0.00 -0.99 -2.74 105.19 114.59 2psb n GLY 80 Ca -0.16 -1.41 -0.37 0.00 0.00 0.00 0.00 46.02 44.09 2psb n GLY 80 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2psb s PRO 81 N -2.00 3.22 0.26 1.61 0.02 -1.26 -0.22 135.00 136.63 2psb s PRO 81 Ca 0.00 1.89 -0.16 0.00 0.02 0.00 0.00 61.00 62.74 2psb s PRO 81 Cb 0.00 -2.12 -0.08 0.00 0.02 0.00 0.00 34.50 32.32 2psb s PRO 81 CO 0.00 -1.02 0.70 0.08 -0.33 0.00 0.00 177.00 176.43 2psb s VAL 82 N -1.53 4.67 0.37 3.83 1.01 0.33 -0.74 120.40 128.34 2psb s VAL 82 Ca 0.73 1.03 0.06 0.00 0.00 0.00 0.00 61.98 63.80 2psb s VAL 82 Cb -0.32 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 2psb s VAL 82 CO 0.36 0.01 0.22 -0.13 0.00 0.00 0.00 175.10 175.56 2psb s ARG 83 N -2.50 1.84 0.58 2.72 1.81 -0.92 -4.66 118.95 117.82 2psb s ARG 83 Ca 0.48 -2.10 -0.20 0.00 -1.72 0.00 0.00 55.73 52.19 2psb s ARG 83 Cb -0.13 -0.04 -0.04 0.00 -0.45 0.00 0.00 34.95 34.29 2psb s ARG 83 CO 0.19 -0.60 1.34 -1.12 -0.68 0.00 0.00 175.30 174.43 2psb s SER 84 N -3.47 5.04 0.20 0.23 0.01 -0.81 -1.21 113.70 113.68 2psb s SER 84 Ca 0.33 2.73 -0.10 0.00 1.31 0.00 0.00 55.95 60.22 2psb s SER 84 Cb 0.02 -2.63 -0.07 0.00 0.21 0.00 0.00 66.02 63.55 2psb s SER 84 CO 0.22 -1.72 0.53 0.00 0.41 0.00 0.00 173.24 172.68 2psb s ALA 85 N -1.33 3.59 0.12 1.44 0.00 -0.74 -4.84 121.76 120.00 2psb s ALA 85 Ca 0.75 -0.27 0.06 0.00 0.00 0.00 0.00 51.96 52.51 2psb s ALA 85 Cb -0.40 -2.42 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 2psb s ALA 85 CO 0.45 0.51 -0.15 1.03 0.00 0.00 0.00 175.76 177.60 2psb s ARG 86 N -2.59 1.04 0.15 0.00 1.81 -1.26 -2.42 118.95 115.68 2psb s ARG 86 Ca 0.44 -1.22 -0.26 0.00 -1.72 0.00 0.00 55.73 52.97 2psb s ARG 86 Cb -0.12 -1.00 -0.00 0.00 -0.45 0.00 0.00 34.95 33.38 2psb s ARG 86 CO 0.21 0.20 1.60 0.93 -0.68 0.00 0.00 175.30 177.55 2psb h GLU 87 N 3.62 -0.35 -0.59 3.54 3.07 -1.93 -0.66 114.58 121.29 2psb h GLU 87 Ca -0.41 0.02 0.17 0.00 -0.50 0.00 0.00 59.36 58.65 2psb h GLU 87 Cb 1.20 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.16 2psb h GLU 87 CO 0.48 -0.23 0.44 0.10 -1.40 0.00 0.00 179.01 178.40 2psb h TYR 88 N -0.37 0.00 -0.05 4.33 -0.00 -1.96 0.29 116.97 119.22 2psb h TYR 88 Ca 0.12 0.00 -0.22 0.00 -0.00 0.00 0.00 58.73 58.63 2psb h TYR 88 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.30 2psb h TYR 88 CO -0.49 0.00 -0.86 0.74 -0.00 0.00 0.00 178.16 177.55 2psb h PHE 89 N 0.00 0.72 -0.44 0.10 0.04 -1.55 -1.59 116.94 114.23 2psb h PHE 89 Ca 0.28 -0.36 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 2psb h PHE 89 Cb 1.16 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 39.20 2psb h PHE 89 CO 0.00 1.16 0.21 0.28 -0.60 0.00 0.00 178.31 179.36 2psb h VAL 90 N 0.32 1.18 -0.81 -0.55 2.07 -0.40 0.70 116.25 118.75 2psb h VAL 90 Ca -0.07 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 2psb h VAL 90 Cb 1.48 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 2psb h VAL 90 CO 0.16 0.20 0.49 0.74 0.02 0.00 0.00 177.57 179.17 2psb h THR 91 N 0.56 1.23 -0.30 2.57 2.02 -1.25 -1.38 112.91 116.35 2psb h THR 91 Ca 0.15 -0.50 -0.10 0.00 0.77 0.00 0.00 66.41 66.74 2psb h THR 91 Cb 0.12 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 2psb h THR 91 CO -0.02 0.24 -0.20 -0.07 0.37 0.00 0.00 175.52 175.84 2psb h LEU 92 N 1.11 0.70 -0.70 2.58 3.38 -0.93 -3.02 115.31 118.43 2psb h LEU 92 Ca 0.29 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.87 2psb h LEU 92 Cb -0.04 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 2psb h LEU 92 CO -0.05 0.98 0.43 -1.28 0.09 0.00 0.00 178.44 178.60 2psb h SER 93 N 0.42 0.68 0.14 -0.43 0.87 -0.60 -2.06 113.55 112.58 2psb h SER 93 Ca 0.06 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2psb h SER 93 Cb 0.74 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2psb h SER 93 CO 0.05 0.46 -0.01 0.78 -0.53 0.00 0.00 176.83 177.59 2psb h ASN 94 N 0.82 0.00 0.00 6.23 -0.26 -1.13 -1.98 115.58 119.26 2psb h ASN 94 Ca 0.29 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.03 2psb h ASN 94 Cb 0.07 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.33 2psb h ASN 94 CO -0.13 0.01 0.15 1.23 -1.06 0.00 0.00 177.43 177.63 2psb h GLY 95 N 0.29 0.00 -0.02 2.83 0.00 -1.28 -0.21 103.07 104.68 2psb h GLY 95 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2psb h GLY 95 CO 0.00 0.00 -0.01 0.69 0.00 0.00 0.00 176.54 177.22 2psb n PHE 96 N -2.61 0.00 -3.80 5.60 3.01 -0.75 -4.76 117.46 114.15 2psb n PHE 96 Ca -0.02 -0.32 -0.30 0.00 1.01 0.00 0.00 57.45 57.82 2psb n PHE 96 Cb 0.19 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.63 2psb n PHE 96 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2psb n ASP 97 N -0.33 -4.10 -4.82 4.37 2.03 -0.09 -4.67 116.55 108.93 2psb n ASP 97 Ca 0.00 -0.70 -0.32 0.00 0.52 0.00 0.00 54.79 54.29 2psb n ASP 97 Cb 0.36 -3.33 -0.01 0.00 -0.72 0.00 0.00 41.12 37.43 2psb n ASP 97 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2psb s SER 98 N -3.08 6.10 -0.08 1.67 0.01 -1.16 -4.82 113.70 112.34 2psb s SER 98 Ca 0.59 1.72 -0.30 0.00 1.31 0.00 0.00 55.95 59.28 2psb s SER 98 Cb -0.31 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.36 2psb s SER 98 CO 0.73 -0.95 1.47 -0.63 0.41 0.00 0.00 173.24 174.27 2psb s ILE 99 N -2.53 3.85 -0.43 1.44 1.01 -0.59 -4.62 121.20 119.32 2psb s ILE 99 Ca 0.62 1.07 -0.22 0.00 0.00 0.00 0.00 60.65 62.12 2psb s ILE 99 Cb -0.14 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.66 2psb s ILE 99 CO 0.35 -0.08 0.73 0.12 0.00 0.00 0.00 174.94 176.06 2psb s PHE 100 N 3.51 3.03 -0.14 3.97 5.36 0.08 -1.18 117.98 132.62 2psb s PHE 100 Ca 0.65 0.13 -0.05 0.00 -0.96 0.00 0.00 56.93 56.70 2psb s PHE 100 Cb -0.29 -3.51 -0.04 0.00 -0.34 0.00 0.00 43.02 38.84 2psb s PHE 100 CO 0.24 -0.91 0.02 0.08 -1.46 0.00 0.00 175.22 173.19 2psb s VAL 101 N 3.09 4.48 0.00 3.12 1.01 -0.09 -4.25 120.40 127.76 2psb s VAL 101 Ca 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2psb s VAL 101 Cb -0.13 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.30 2psb s VAL 101 CO 0.21 0.53 0.00 0.00 0.00 0.00 0.00 175.10 175.84 2psb n HIS 102 N 2.92 -0.55 -3.17 5.22 1.44 -1.26 -1.34 115.22 118.48 2psb n HIS 102 Ca -0.18 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.56 2psb n HIS 102 Cb 0.53 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.64 2psb n HIS 102 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2psb s HIS 103 N -6.27 -1.75 0.00 -1.40 2.46 -0.35 -0.95 115.29 107.03 2psb s HIS 103 Ca 0.00 0.74 0.00 0.00 0.47 0.00 0.00 55.06 56.27 2psb s HIS 103 Cb 0.00 0.31 0.00 0.00 -0.13 0.00 0.00 32.58 32.76 2psb s HIS 103 CO 0.00 -1.08 0.00 0.41 -2.47 0.00 0.00 174.74 171.60 2psb n GLY 104 N 5.01 0.10 3.63 1.59 0.00 -1.26 -1.93 105.19 112.32 2psb n GLY 104 Ca 0.07 -1.95 -0.01 0.00 0.00 0.00 0.00 46.02 44.13 2psb n GLY 104 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2psb s TRP 105 N -1.21 -0.09 0.47 1.61 -2.14 -1.26 -1.79 118.94 114.53 2psb s TRP 105 Ca 0.00 -0.04 -0.02 0.00 2.66 0.00 0.00 56.10 58.70 2psb s TRP 105 Cb 0.00 0.56 -0.01 0.00 -3.10 0.00 0.00 33.47 30.92 2psb s TRP 105 CO 0.00 -0.37 0.73 -1.54 -2.66 0.00 0.00 176.95 173.10 2psb s SER 106 N -2.81 5.90 0.17 -2.66 1.04 -1.01 -4.87 113.70 109.46 2psb s SER 106 Ca 0.13 0.50 -0.20 0.00 0.48 0.00 0.00 55.95 56.86 2psb s SER 106 Cb 0.02 -1.74 0.08 0.00 0.10 0.00 0.00 66.02 64.48 2psb s SER 106 CO -0.03 -0.72 1.63 -0.65 0.98 0.00 0.00 173.24 174.46 2psb h PRO 107 N 0.28 -0.14 -0.22 4.02 0.11 -2.00 -0.64 132.00 133.42 2psb h PRO 107 Ca -0.46 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.70 2psb h PRO 107 Cb 1.24 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.34 2psb h PRO 107 CO 0.59 -0.09 -0.09 0.78 -0.21 0.00 0.00 178.00 178.98 2psb h GLY 108 N -0.14 0.11 0.93 -0.55 0.00 -1.97 -1.91 103.07 99.53 2psb h GLY 108 Ca 0.18 0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.70 2psb h GLY 108 CO -0.46 -0.11 0.53 0.00 0.00 0.00 0.00 176.54 176.50 2psb h ALA 109 N 1.14 1.61 0.77 3.60 0.00 -1.71 -1.38 119.26 123.30 2psb h ALA 109 Ca 0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2psb h ALA 109 Cb 0.23 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.80 2psb h ALA 109 CO -0.26 0.26 -0.37 -0.22 0.00 0.00 0.00 179.25 178.66 2psb h LYS 110 N 0.89 -1.00 -0.81 0.00 3.64 -0.35 -1.41 116.57 117.52 2psb h LYS 110 Ca 0.35 0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.85 2psb h LYS 110 Cb 0.24 0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 2psb h LYS 110 CO -0.13 -0.65 0.51 0.87 -2.27 0.00 0.00 179.45 177.78 2psb h LYS 111 N -1.08 0.93 0.18 1.90 1.79 -1.26 0.15 116.57 119.18 2psb h LYS 111 Ca -0.11 -0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.32 2psb h LYS 111 Cb 0.80 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 31.21 2psb h LYS 111 CO 0.17 0.61 -0.29 0.37 -1.08 0.00 0.00 179.45 179.23 2psb h GLN 112 N 0.95 -0.52 0.00 3.15 4.15 -1.14 0.87 115.11 122.57 2psb h GLN 112 Ca 0.34 0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.69 2psb h GLN 112 Cb 0.10 0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 2psb h GLN 112 CO -0.15 -0.35 -0.53 -0.07 -1.93 0.00 0.00 178.83 175.81 2psb h LEU 113 N -0.54 0.00 -0.07 -2.39 3.38 -0.92 -2.34 115.31 112.43 2psb h LEU 113 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2psb h LEU 113 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2psb h LEU 113 CO -0.13 0.53 0.00 -0.62 0.09 0.00 0.00 178.44 178.30 2psb n GLU 114 N -3.86 0.15 -0.15 1.13 1.02 0.50 -2.32 120.64 117.11 2psb n GLU 114 Ca -0.01 0.16 0.09 0.00 -0.02 0.00 0.00 57.16 57.38 2psb n GLU 114 Cb 0.55 -1.69 0.28 0.00 -0.02 0.00 0.00 31.44 30.56 2psb n GLU 114 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2psb n SER 115 N -1.95 2.11 0.00 1.62 7.64 0.27 -4.91 113.62 118.41 2psb n SER 115 Ca 0.06 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 58.08 2psb n SER 115 Cb 0.36 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 2psb n SER 115 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2psb n GLY 116 N 1.19 0.69 0.26 0.23 0.00 -0.98 -4.98 105.19 101.60 2psb n GLY 116 Ca 0.16 -0.64 0.07 0.00 0.00 0.00 0.00 46.02 45.60 2psb n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2psb h ALA 117 N 0.00 1.93 -1.59 4.61 0.00 -1.55 -3.46 119.26 119.21 2psb h ALA 117 Ca 0.00 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.06 2psb h ALA 117 Cb 0.10 -0.02 -0.21 0.00 0.00 0.00 0.00 17.79 17.66 2psb h ALA 117 CO 0.00 0.06 0.70 0.00 0.00 0.00 0.00 179.25 180.01 2psb s ALA 118 N -5.08 -1.99 -0.29 0.00 0.00 -1.26 -5.00 121.76 108.13 2psb s ALA 118 Ca -0.05 1.53 -0.29 0.00 0.00 0.00 0.00 51.96 53.15 2psb s ALA 118 Cb 0.17 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 2psb s ALA 118 CO 0.68 -0.48 1.62 -0.51 0.00 0.00 0.00 175.76 177.07 2psb s ASP 119 N -1.75 6.23 0.00 0.00 1.01 -1.26 -4.93 116.67 115.97 2psb s ASP 119 Ca 0.05 1.35 0.00 0.00 0.71 0.00 0.00 52.55 54.66 2psb s ASP 119 Cb -0.01 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2psb s ASP 119 CO -0.04 -1.42 0.00 0.00 0.21 0.00 0.00 175.17 173.91 2psb n TYR 120 N 9.05 0.00 -3.49 4.23 4.11 -1.26 -0.74 117.16 129.06 2psb n TYR 120 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.10 2psb n TYR 120 Cb 0.46 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.75 2psb n TYR 120 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 2psb s ASN 122 N 1.00 -0.61 0.59 9.48 3.84 -1.26 -4.91 114.94 123.06 2psb s ASN 122 Ca 0.00 0.88 0.29 0.00 0.21 0.00 0.00 52.86 54.23 2psb s ASN 122 Cb 0.00 1.58 1.52 0.00 -0.55 0.00 0.00 41.25 43.80 2psb s ASN 122 CO 0.00 -0.13 1.96 1.23 -2.79 0.00 0.00 177.10 177.37 2psb h GLY 123 N 7.14 0.00 0.85 1.21 0.00 -1.39 0.11 103.07 110.99 2psb h GLY 123 Ca -0.19 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.17 2psb h GLY 123 CO 0.12 0.00 0.44 1.41 0.00 0.00 0.00 176.54 178.50 2psb h LEU 124 N 0.00 0.71 -0.15 3.11 3.38 -1.92 0.21 115.31 120.66 2psb h LEU 124 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2psb h LEU 124 Cb 0.99 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2psb h LEU 124 CO -0.00 0.49 0.00 0.44 0.09 0.00 0.00 178.44 179.46 2psb h ASP 125 N 0.85 0.00 0.00 -0.43 3.32 -1.21 -3.32 116.42 115.63 2psb h ASP 125 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 2psb h ASP 125 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2psb h ASP 125 CO -0.11 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 177.90 2psb n PHE 126 N -2.90 0.00 -1.61 4.55 3.01 -1.07 -4.99 117.46 114.45 2psb n PHE 126 Ca 0.04 -0.39 -0.41 0.00 1.01 0.00 0.00 57.45 57.71 2psb n PHE 126 Cb 0.48 -0.04 -0.03 0.00 -0.01 0.00 0.00 39.48 39.88 2psb n PHE 126 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2psb s ASP 127 N -0.77 5.14 0.00 4.37 2.15 0.72 -0.55 116.67 127.72 2psb s ASP 127 Ca 0.00 1.59 0.00 0.00 0.43 0.00 0.00 52.55 54.57 2psb s ASP 127 Cb 0.00 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 2psb s ASP 127 CO 0.00 -2.26 0.00 0.61 -0.17 0.00 0.00 175.17 173.35 2psb n GLY 128 N 5.83 1.63 0.00 2.66 0.00 -0.70 -4.98 105.19 109.64 2psb n GLY 128 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2psb n GLY 128 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2psb n SER 129 N 0.00 0.00 0.08 1.61 3.41 0.28 -4.89 113.62 114.12 2psb n SER 129 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 2psb n SER 129 Cb 0.00 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.41 2psb n SER 129 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2psb n LEU 130 N -0.57 0.53 -4.30 1.04 4.77 -1.14 -4.57 117.00 112.76 2psb n LEU 130 Ca 0.00 0.59 -0.32 0.00 -0.03 0.00 0.00 56.01 56.25 2psb n LEU 130 Cb 0.00 -0.46 -0.16 0.00 -2.33 0.00 0.00 43.42 40.47 2psb n LEU 130 CO 0.00 -0.30 -0.55 -0.36 -1.33 0.00 0.00 177.39 174.85 2psb s PHE 131 N -3.15 2.48 0.32 -1.77 0.40 -1.01 -4.44 117.98 110.81 2psb s PHE 131 Ca 0.08 -0.63 0.06 0.00 -0.60 0.00 0.00 56.93 55.85 2psb s PHE 131 Cb 0.12 -1.61 -0.06 0.00 0.51 0.00 0.00 43.02 41.98 2psb s PHE 131 CO 0.47 -0.16 -0.02 1.67 0.70 0.00 0.00 175.22 177.88 2psb s TRP 132 N -0.24 2.10 -0.22 0.36 -2.14 0.11 -1.72 118.94 117.18 2psb s TRP 132 Ca -0.01 -0.74 -0.05 0.00 2.66 0.00 0.00 56.10 57.96 2psb s TRP 132 Cb -0.13 -1.30 -0.01 0.00 -3.10 0.00 0.00 33.47 28.92 2psb s TRP 132 CO 0.03 0.27 -0.01 1.03 -2.66 0.00 0.00 176.95 175.60 2psb s ARG 133 N -3.76 3.47 0.29 3.25 3.00 -1.26 -1.14 118.95 122.80 2psb s ARG 133 Ca 0.33 -0.58 -0.29 0.00 0.00 0.00 0.00 55.73 55.18 2psb s ARG 133 Cb 0.06 -3.09 -0.10 0.00 0.00 0.00 0.00 34.95 31.83 2psb s ARG 133 CO 0.14 -0.17 1.14 0.00 0.00 0.00 0.00 175.30 176.42 2psb s ALA 134 N 1.44 3.43 -1.35 2.13 0.00 0.13 -4.95 121.76 122.58 2psb s ALA 134 Ca 0.05 0.98 0.26 0.00 0.00 0.00 0.00 51.96 53.24 2psb s ALA 134 Cb -0.14 -3.36 0.62 0.00 0.00 0.00 0.00 23.12 20.23 2psb s ALA 134 CO -0.01 -0.26 1.48 -0.40 0.00 0.00 0.00 175.76 176.57 2psb n ASP 135 N 1.13 0.74 -0.66 0.00 5.75 -1.26 -3.68 116.55 118.57 2psb n ASP 135 Ca -0.01 -0.55 0.13 0.00 -0.01 0.00 0.00 54.79 54.35 2psb n ASP 135 Cb 0.44 0.20 0.37 0.00 -1.03 0.00 0.00 41.12 41.10 2psb n ASP 135 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 2psb n PHE 136 N -1.11 0.05 -4.10 2.11 1.16 -1.26 -4.91 117.46 109.41 2psb n PHE 136 Ca 0.09 -0.03 -0.08 0.00 -1.87 0.00 0.00 57.45 55.56 2psb n PHE 136 Cb 0.34 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.11 2psb n PHE 136 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2psb s SER 137 N -1.92 0.48 0.21 5.98 0.01 -1.24 -5.15 113.70 112.07 2psb s SER 137 Ca 0.35 -1.04 0.07 0.00 1.31 0.00 0.00 55.95 56.64 2psb s SER 137 Cb 0.20 0.21 -0.04 0.00 0.21 0.00 0.00 66.02 66.61 2psb s SER 137 CO 0.32 -0.62 0.08 -0.54 0.41 0.00 0.00 173.24 172.88 2psb s LYS 138 N -3.94 2.61 0.63 12.44 1.02 -1.26 -4.76 119.74 126.49 2psb s LYS 138 Ca 0.10 -1.12 -0.18 0.00 0.02 0.00 0.00 55.97 54.79 2psb s LYS 138 Cb 0.08 -2.42 -0.02 0.00 -0.52 0.00 0.00 37.83 34.95 2psb s LYS 138 CO -0.08 0.43 1.27 -2.14 -0.92 0.00 0.00 175.35 173.91 2psb s PRO 139 N -3.38 2.65 -0.57 -1.68 0.02 -1.26 -1.83 135.00 128.96 2psb s PRO 139 Ca 0.30 2.00 0.01 0.00 0.02 0.00 0.00 61.00 63.33 2psb s PRO 139 Cb -0.08 -1.87 0.46 0.00 0.02 0.00 0.00 34.50 33.03 2psb s PRO 139 CO 0.21 -1.50 1.83 -0.35 -0.33 0.00 0.00 177.00 176.86 2psb n PRO 140 N -1.84 2.86 -0.26 5.54 -0.04 -1.26 -4.89 135.00 135.11 2psb n PRO 140 Ca 0.15 -3.47 0.08 0.00 -0.04 0.00 0.00 63.50 60.22 2psb n PRO 140 Cb 0.49 -2.27 0.19 0.00 -0.04 0.00 0.00 33.50 31.86 2psb n PRO 140 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2psb n HIS 141 N -0.89 0.51 -0.97 0.54 8.25 -0.76 -4.58 115.22 117.32 2psb n HIS 141 Ca 0.58 -0.85 0.09 0.00 -0.26 0.00 0.00 57.72 57.28 2psb n HIS 141 Cb 0.78 -0.21 0.15 0.00 1.12 0.00 0.00 29.99 31.83 2psb n HIS 141 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2psb n ASN 142 N -0.69 2.53 -4.53 0.41 6.94 -1.20 -4.74 115.26 113.97 2psb n ASN 142 Ca 0.17 -2.99 -0.42 0.00 -0.02 0.00 0.00 54.58 51.32 2psb n ASN 142 Cb 0.71 -0.41 -0.09 0.00 -2.36 0.00 0.00 39.78 37.63 2psb n ASN 142 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2psb s SER 143 N -2.60 6.22 0.29 0.53 0.15 -1.26 0.20 113.70 117.23 2psb s SER 143 Ca 0.31 -0.32 0.05 0.00 0.70 0.00 0.00 55.95 56.69 2psb s SER 143 Cb 0.27 -2.22 -0.06 0.00 -1.71 0.00 0.00 66.02 62.29 2psb s SER 143 CO 0.04 -0.45 -0.00 -0.31 1.20 0.00 0.00 173.24 173.72 2psb s TYR 144 N 2.15 1.91 0.04 3.44 1.51 -0.30 0.12 117.35 126.23 2psb s TYR 144 Ca 0.14 -0.84 -0.00 0.00 -1.01 0.00 0.00 57.07 55.36 2psb s TYR 144 Cb -0.16 -1.17 0.00 0.00 -0.11 0.00 0.00 41.96 40.52 2psb s TYR 144 CO 0.13 0.12 0.05 -2.37 -1.11 0.00 0.00 175.55 172.38 2psb n THR 145 N -0.61 0.00 -3.85 -0.71 5.66 -1.11 0.05 114.28 113.72 2psb n THR 145 Ca -0.04 -0.22 -0.09 0.00 -3.05 0.00 0.00 64.05 60.65 2psb n THR 145 Cb 0.65 0.13 -0.07 0.00 -1.55 0.00 0.00 70.33 69.49 2psb n THR 145 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2psb s SER 146 N -1.26 0.09 0.32 1.09 1.04 -1.26 -1.20 113.70 112.53 2psb s SER 146 Ca 0.04 -0.65 0.01 0.00 0.48 0.00 0.00 55.95 55.82 2psb s SER 146 Cb -0.00 0.36 0.55 0.00 0.10 0.00 0.00 66.02 67.03 2psb s SER 146 CO 0.03 -0.75 1.98 0.22 0.98 0.00 0.00 173.24 175.69 2psb h TYR 147 N 2.71 0.92 -0.53 5.02 3.20 -1.26 0.31 116.97 127.34 2psb h TYR 147 Ca -0.34 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.54 2psb h TYR 147 Cb 1.21 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 2psb h TYR 147 CO 0.42 0.56 0.28 0.22 -1.64 0.00 0.00 178.16 178.00 2psb h ASP 148 N 0.98 0.67 0.34 -2.11 3.58 -1.83 0.11 116.42 118.16 2psb h ASP 148 Ca 0.29 -0.10 -0.15 0.00 0.42 0.00 0.00 57.03 57.49 2psb h ASP 148 Cb -0.05 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.82 2psb h ASP 148 CO -0.07 0.59 -0.60 1.88 -2.88 0.00 0.00 179.24 178.16 2psb h TYR 149 N 0.71 0.33 -0.58 0.28 0.05 -1.65 -2.27 116.97 113.84 2psb h TYR 149 Ca 0.19 -0.12 -0.07 0.00 0.05 0.00 0.00 58.73 58.77 2psb h TYR 149 Cb 0.07 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 2psb h TYR 149 CO -0.01 0.79 0.09 0.82 -1.05 0.00 0.00 178.16 178.80 2psb h ILE 150 N 0.19 1.25 -0.34 -2.88 2.04 0.01 -0.95 117.51 116.83 2psb h ILE 150 Ca -0.01 -0.95 -0.04 0.00 1.00 0.00 0.00 64.86 64.87 2psb h ILE 150 Cb 1.10 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 2psb h ILE 150 CO 0.09 0.35 0.07 0.11 0.00 0.00 0.00 178.15 178.78 2psb h LYS 151 N 0.88 0.55 -0.73 2.37 1.57 -0.78 -1.71 116.57 118.72 2psb h LYS 151 Ca 0.18 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2psb h LYS 151 Cb 0.39 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 2psb h LYS 151 CO 0.01 0.61 0.48 0.87 -0.57 0.00 0.00 179.45 180.85 2psb h LYS 152 N 0.39 0.86 0.00 3.15 1.79 -0.98 0.11 116.57 121.89 2psb h LYS 152 Ca 0.10 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.43 2psb h LYS 152 Cb 0.32 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 2psb h LYS 152 CO 0.00 0.57 -0.43 0.00 -1.08 0.00 0.00 179.45 178.51 2psb h ALA 153 N 1.57 1.02 -0.07 3.86 0.00 -0.88 -2.62 119.26 122.14 2psb h ALA 153 Ca 0.29 -0.39 -0.22 0.00 0.00 0.00 0.00 54.91 54.59 2psb h ALA 153 Cb 0.06 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.79 2psb h ALA 153 CO -0.08 0.54 -0.84 0.00 0.00 0.00 0.00 179.25 178.87 2psb h ALA 154 N 1.57 0.39 0.00 0.00 0.00 -0.05 -2.73 119.26 118.44 2psb h ALA 154 Ca -0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 2psb h ALA 154 Cb 0.92 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2psb h ALA 154 CO 0.06 0.74 -0.08 0.93 0.00 0.00 0.00 179.25 180.89 2psb h GLU 155 N 0.37 0.00 0.10 0.00 5.08 -0.52 -0.56 114.58 119.05 2psb h GLU 155 Ca -0.06 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.97 2psb h GLU 155 Cb 1.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.68 2psb h GLU 155 CO 0.16 0.08 -1.79 1.96 -1.00 0.00 0.00 179.01 178.42 2psb h GLN 156 N 0.00 0.21 -0.01 2.33 4.20 -1.41 -3.35 115.11 117.08 2psb h GLN 156 Ca -0.00 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.36 2psb h GLN 156 Cb 0.25 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2psb h GLN 156 CO 0.01 1.02 -0.01 1.63 -0.67 0.00 0.00 178.83 180.81 2psb n LYS 157 N -3.38 1.50 -2.82 1.46 4.01 -1.04 -4.93 118.16 112.96 2psb n LYS 157 Ca -0.24 -0.77 -0.16 0.00 -0.51 0.00 0.00 58.31 56.63 2psb n LYS 157 Cb 1.05 -1.48 0.03 0.00 -0.51 0.00 0.00 35.03 34.11 2psb n LYS 157 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2psb n GLY 158 N 1.16 -0.19 3.75 0.72 0.00 -0.39 -4.98 105.19 105.26 2psb n GLY 158 Ca 0.19 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 2psb n GLY 158 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2psb s TYR 159 N -3.01 3.75 0.20 1.61 2.02 -0.36 -5.02 117.35 116.55 2psb s TYR 159 Ca 0.23 1.49 -0.30 0.00 -0.37 0.00 0.00 57.07 58.12 2psb s TYR 159 Cb -0.10 -2.82 -0.09 0.00 -0.40 0.00 0.00 41.96 38.56 2psb s TYR 159 CO 0.28 0.30 1.27 -1.59 -1.57 0.00 0.00 175.55 174.24 2psb s LYS 160 N -0.17 4.42 -0.01 -0.62 0.00 -1.26 -4.67 119.74 117.44 2psb s LYS 160 Ca 0.38 1.99 0.19 0.00 0.00 0.00 0.00 55.97 58.54 2psb s LYS 160 Cb -0.21 -3.21 -0.24 0.00 0.00 0.00 0.00 37.83 34.18 2psb s LYS 160 CO 0.23 -0.19 0.73 1.28 0.00 0.00 0.00 175.35 177.40 2psb n LEU 161 N 2.52 0.69 -4.17 2.77 4.77 -1.26 -4.92 117.00 117.40 2psb n LEU 161 Ca 0.05 -0.38 -0.29 0.00 -0.03 0.00 0.00 56.01 55.37 2psb n LEU 161 Cb 0.43 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.36 2psb n LEU 161 CO 0.57 0.17 -0.53 -0.54 -1.33 0.00 0.00 177.39 175.73 2psb s LYS 162 N -2.97 2.33 -0.14 3.23 1.02 -1.26 -1.24 119.74 120.70 2psb s LYS 162 Ca 0.04 -0.73 -0.31 0.00 0.02 0.00 0.00 55.97 54.99 2psb s LYS 162 Cb 0.14 -1.90 0.13 0.00 -0.52 0.00 0.00 37.83 35.69 2psb s LYS 162 CO 0.81 0.22 1.07 1.14 -0.92 0.00 0.00 175.35 177.67 2psb s GLN 163 N 0.18 0.51 -0.09 1.68 -2.07 0.27 -4.82 119.66 115.32 2psb s GLN 163 Ca -0.10 -0.06 -0.10 0.00 -1.82 0.00 0.00 55.36 53.28 2psb s GLN 163 Cb -0.15 0.24 -0.05 0.00 -1.09 0.00 0.00 33.01 31.96 2psb s GLN 163 CO 0.05 -0.20 0.23 -1.21 -1.32 0.00 0.00 175.29 172.84 2psb s GLU 164 N -2.02 3.67 -0.02 9.60 2.02 -1.26 -4.04 118.70 126.65 2psb s GLU 164 Ca 0.04 0.04 0.06 0.00 0.02 0.00 0.00 54.97 55.13 2psb s GLU 164 Cb -0.01 -3.23 -0.03 0.00 0.10 0.00 0.00 34.13 30.97 2psb s GLU 164 CO -0.04 0.69 -0.19 0.95 0.02 0.00 0.00 175.26 176.69 2psb s THR 165 N -0.87 2.64 0.06 3.63 -4.23 -1.26 -5.08 115.64 110.52 2psb s THR 165 Ca 0.17 -0.98 -0.30 0.00 -1.18 0.00 0.00 61.69 59.40 2psb s THR 165 Cb -0.13 -2.02 -0.08 0.00 1.34 0.00 0.00 72.50 71.61 2psb s THR 165 CO 0.06 0.52 1.71 0.21 -0.54 0.00 0.00 174.62 176.59 2psb s ASN 166 N -0.87 6.57 0.84 3.99 2.47 -1.26 -4.86 114.94 121.82 2psb s ASN 166 Ca 0.12 2.51 -0.11 0.00 0.42 0.00 0.00 52.86 55.80 2psb s ASN 166 Cb -0.10 -2.56 0.10 0.00 -1.45 0.00 0.00 41.25 37.24 2psb s ASN 166 CO 0.01 -0.93 1.12 -2.16 -3.72 0.00 0.00 177.10 171.43 2psb s PRO 167 N 3.07 1.67 0.95 0.43 0.04 -1.26 -4.93 135.00 134.97 2psb s PRO 167 Ca 0.76 1.39 -0.15 0.00 0.04 0.00 0.00 61.00 63.04 2psb s PRO 167 Cb -0.40 -1.81 0.20 0.00 0.04 0.00 0.00 34.50 32.52 2psb s PRO 167 CO 0.33 -2.12 1.31 -0.51 0.04 0.00 0.00 177.00 176.05 2psb s LEU 168 N -6.18 2.73 -0.26 -3.56 1.02 -0.33 -5.02 118.68 107.08 2psb s LEU 168 Ca 0.65 0.23 -0.11 0.00 0.02 0.00 0.00 54.13 54.92 2psb s LEU 168 Cb -0.21 -2.28 -0.05 0.00 0.02 0.00 0.00 46.19 43.67 2psb s LEU 168 CO 0.56 -2.70 0.17 -0.22 0.02 0.00 0.00 176.35 174.19 2psb s LEU 169 N -5.85 4.07 0.28 1.79 2.96 -1.26 -5.01 118.68 115.65 2psb s LEU 169 Ca 0.74 0.05 0.12 0.00 -0.22 0.00 0.00 54.13 54.82 2psb s LEU 169 Cb -0.04 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.49 2psb s LEU 169 CO 0.53 0.01 -0.19 -0.36 -1.32 0.00 0.00 176.35 175.01 2psb s PHE 170 N 1.39 2.26 0.53 5.38 0.08 -1.26 -0.49 117.98 125.86 2psb s PHE 170 Ca 0.07 -0.35 0.08 0.00 0.12 0.00 0.00 56.93 56.85 2psb s PHE 170 Cb -0.15 -0.98 0.08 0.00 -0.57 0.00 0.00 43.02 41.40 2psb s PHE 170 CO 0.08 0.69 0.64 0.00 -0.10 0.00 0.00 175.22 176.53 2psb n GLN 171 N -0.61 0.67 -2.73 0.44 10.64 -0.05 -4.76 117.38 120.98 2psb n GLN 171 Ca -0.05 -2.95 -0.05 0.00 -1.83 0.00 0.00 57.00 52.12 2psb n GLN 171 Cb 0.60 -0.07 0.04 0.00 -0.86 0.00 0.00 30.24 29.95 2psb n GLN 171 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 2psb n THR 172 N -2.03 1.27 0.00 -0.39 5.66 -1.26 -4.65 114.28 112.88 2psb n THR 172 Ca 0.10 -3.08 0.00 0.00 -3.05 0.00 0.00 64.05 58.02 2psb n THR 172 Cb 0.56 0.90 0.00 0.00 -1.55 0.00 0.00 70.33 70.24 2psb n THR 172 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2psb n ASN 179 N -0.42 0.00 -1.12 1.09 4.05 -1.26 -5.10 115.26 112.50 2psb n ASN 179 Ca 0.10 0.00 0.12 0.00 0.45 0.00 0.00 54.58 55.26 2psb n ASN 179 Cb 0.81 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.78 2psb n ASN 179 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2psb n GLU 180 N 0.00 -2.04 -3.15 1.20 4.71 -1.26 -4.61 120.64 115.48 2psb n GLU 180 Ca 0.00 1.52 0.05 0.00 -0.01 0.00 0.00 57.16 58.72 2psb n GLU 180 Cb 0.00 -2.62 -0.01 0.00 -1.01 0.00 0.00 31.44 27.80 2psb n GLU 180 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2psb s SER 181 N -5.72 -0.97 -0.07 1.62 0.15 -1.24 -4.60 113.70 102.87 2psb s SER 181 Ca 0.00 0.48 0.04 0.00 0.70 0.00 0.00 55.95 57.16 2psb s SER 181 Cb 0.00 1.76 -0.02 0.00 -1.71 0.00 0.00 66.02 66.05 2psb s SER 181 CO 0.00 -0.18 -0.19 -0.31 1.20 0.00 0.00 173.24 173.76 2psb s TYR 182 N 2.90 2.62 0.28 3.44 2.02 0.39 -4.59 117.35 124.41 2psb s TYR 182 Ca 0.12 -0.51 0.07 0.00 -0.37 0.00 0.00 57.07 56.38 2psb s TYR 182 Cb -0.11 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.75 2psb s TYR 182 CO -0.18 -0.08 0.22 -0.80 -1.57 0.00 0.00 175.55 173.14 2psb s ASN 183 N -0.23 5.39 0.02 2.29 0.01 0.17 -4.65 114.94 117.94 2psb s ASN 183 Ca -0.00 -0.36 0.00 0.00 -0.71 0.00 0.00 52.86 51.79 2psb s ASN 183 Cb -0.13 -1.22 -0.02 0.00 0.41 0.00 0.00 41.25 40.29 2psb s ASN 183 CO 0.03 -0.15 -0.03 0.54 -1.51 0.00 0.00 177.10 175.98 2psb s VAL 184 N -2.21 0.16 0.07 1.60 0.11 -0.88 -0.19 120.40 119.06 2psb s VAL 184 Ca 0.36 -0.95 0.07 0.00 -2.93 0.00 0.00 61.98 58.52 2psb s VAL 184 Cb -0.07 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 2psb s VAL 184 CO 0.25 -0.50 -0.18 -0.13 -3.33 0.00 0.00 175.10 171.21 2psb s ARG 185 N -1.54 1.07 -0.09 1.54 3.00 -0.78 0.08 118.95 122.23 2psb s ARG 185 Ca -0.15 -1.00 -0.00 0.00 0.00 0.00 0.00 55.73 54.58 2psb s ARG 185 Cb -0.10 -1.21 0.02 0.00 0.00 0.00 0.00 34.95 33.67 2psb s ARG 185 CO -0.01 0.29 -0.06 0.08 0.00 0.00 0.00 175.30 175.60 2psb s VAL 186 N -1.06 0.82 -0.28 3.52 1.01 0.28 -1.88 120.40 122.81 2psb s VAL 186 Ca 0.04 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 2psb s VAL 186 Cb -0.09 -0.86 -0.00 0.00 0.00 0.00 0.00 36.38 35.42 2psb s VAL 186 CO 0.03 0.32 0.08 -0.62 0.00 0.00 0.00 175.10 174.91 2psb s ASP 187 N 1.60 5.14 -0.11 3.32 2.15 -0.79 -0.34 116.67 127.63 2psb s ASP 187 Ca 0.02 -0.54 0.20 0.00 0.43 0.00 0.00 52.55 52.65 2psb s ASP 187 Cb -0.13 -1.90 -0.29 0.00 -0.30 0.00 0.00 42.92 40.30 2psb s ASP 187 CO -0.05 -0.14 0.28 -1.22 -0.17 0.00 0.00 175.17 173.86 2psb n TYR 188 N 4.89 0.00 -0.51 -5.34 4.02 0.91 -4.80 117.16 116.34 2psb n TYR 188 Ca -0.15 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.45 2psb n TYR 188 Cb 0.49 -0.74 0.25 0.00 -0.02 0.00 0.00 39.34 39.32 2psb n TYR 188 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2psb n GLY 189 N 1.51 -2.04 0.00 2.72 0.00 -1.16 -4.81 105.19 101.40 2psb n GLY 189 Ca -0.18 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.73 2psb n GLY 189 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2psb n THR 190 N -4.90 0.00 -0.33 2.61 5.66 0.20 -4.83 114.28 112.69 2psb n THR 190 Ca 0.03 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.13 2psb n THR 190 Cb 0.55 0.00 0.21 0.00 -1.55 0.00 0.00 70.33 69.54 2psb n THR 190 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 2psb h ASN 191 N 0.00 -0.60 0.00 1.09 4.21 -2.04 -3.22 115.58 115.01 2psb h ASN 191 Ca 0.00 0.27 -0.22 0.00 1.21 0.00 0.00 56.30 57.56 2psb h ASN 191 Cb 0.00 0.50 -0.04 0.00 -1.12 0.00 0.00 38.32 37.66 2psb h ASN 191 CO 0.00 -0.31 -1.83 -0.46 -1.29 0.00 0.00 177.43 173.54 2psb n ASN 192 N -5.50 2.65 -4.86 5.81 6.94 -1.26 -5.00 115.26 114.04 2psb n ASN 192 Ca 0.19 -0.06 -0.34 0.00 -0.02 0.00 0.00 54.58 54.35 2psb n ASN 192 Cb 0.61 0.06 -0.06 0.00 -2.36 0.00 0.00 39.78 38.04 2psb n ASN 192 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 2psb s VAL 193 N -2.29 4.93 0.04 3.53 -7.23 -1.22 -5.09 120.40 113.07 2psb s VAL 193 Ca -0.16 0.65 0.08 0.00 -1.81 0.00 0.00 61.98 60.75 2psb s VAL 193 Cb 0.05 -3.69 -0.03 0.00 0.56 0.00 0.00 36.38 33.27 2psb s VAL 193 CO 0.38 0.18 -0.23 0.28 -0.31 0.00 0.00 175.10 175.40 2psb s THR 194 N -1.53 1.82 -0.37 5.32 -1.32 -1.26 0.63 115.64 118.92 2psb s THR 194 Ca 0.39 -1.23 0.05 0.00 -1.21 0.00 0.00 61.69 59.69 2psb s THR 194 Cb -0.14 -1.56 0.17 0.00 -1.51 0.00 0.00 72.50 69.46 2psb s THR 194 CO 0.19 0.28 0.51 0.21 -2.21 0.00 0.00 174.62 173.61 2psb s ASN 195 N -1.13 -0.35 -0.18 8.08 3.04 -1.26 -4.73 114.94 118.41 2psb s ASN 195 Ca 0.09 -0.97 -0.04 0.00 0.04 0.00 0.00 52.86 51.98 2psb s ASN 195 Cb -0.09 1.36 -0.02 0.00 -1.54 0.00 0.00 41.25 40.96 2psb s ASN 195 CO 0.02 -0.23 -0.02 -0.22 -3.04 0.00 0.00 177.10 173.61 2psb s LEU 196 N 1.83 3.23 -0.06 3.21 2.96 -1.26 -0.06 118.68 128.54 2psb s LEU 196 Ca 0.15 -0.18 0.05 0.00 -0.22 0.00 0.00 54.13 53.92 2psb s LEU 196 Cb -0.09 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 2psb s LEU 196 CO -0.09 0.10 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.16 2psb s VAL 197 N 0.77 2.61 0.01 1.68 1.01 0.53 0.32 120.40 127.33 2psb s VAL 197 Ca -0.01 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2psb s VAL 197 Cb -0.14 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 2psb s VAL 197 CO 0.02 0.57 -0.08 -1.61 0.00 0.00 0.00 175.10 174.01 2psb s GLU 198 N -0.39 0.57 -0.13 2.72 2.02 -0.60 0.10 118.70 122.99 2psb s GLU 198 Ca 0.04 -0.42 0.01 0.00 0.02 0.00 0.00 54.97 54.62 2psb s GLU 198 Cb -0.12 -0.51 0.02 0.00 0.10 0.00 0.00 34.13 33.62 2psb s GLU 198 CO 0.02 0.13 -0.15 0.71 0.02 0.00 0.00 175.26 175.98 2psb s TYR 199 N -0.53 2.14 -0.18 1.61 1.51 0.11 -2.14 117.35 119.88 2psb s TYR 199 Ca -0.01 -1.12 -0.00 0.00 -1.01 0.00 0.00 57.07 54.93 2psb s TYR 199 Cb -0.05 -1.55 0.01 0.00 -0.11 0.00 0.00 41.96 40.26 2psb s TYR 199 CO 0.00 -0.59 -0.16 -0.80 -1.11 0.00 0.00 175.55 172.89 2psb s ASN 200 N 1.24 3.52 0.28 2.29 0.02 0.01 -2.08 114.94 120.22 2psb s ASN 200 Ca -0.00 -0.54 -0.29 0.00 -1.02 0.00 0.00 52.86 51.00 2psb s ASN 200 Cb -0.14 -1.55 -0.09 0.00 0.02 0.00 0.00 41.25 39.48 2psb s ASN 200 CO -0.07 0.03 1.05 -0.47 0.02 0.00 0.00 177.10 177.66 2psb s TYR 201 N 1.15 3.67 -0.54 2.20 5.04 -1.26 -0.29 117.35 127.32 2psb s TYR 201 Ca 0.01 1.76 -0.03 0.00 -2.44 0.00 0.00 57.07 56.37 2psb s TYR 201 Cb -0.14 -3.19 0.14 0.00 0.35 0.00 0.00 41.96 39.12 2psb s TYR 201 CO -0.06 -0.28 0.35 0.34 -1.34 0.00 0.00 175.55 174.56 2psb s ASP 202 N -1.00 5.20 0.24 4.32 2.15 0.24 -4.94 116.67 122.89 2psb s ASP 202 Ca 0.44 -2.57 -0.10 0.00 0.43 0.00 0.00 52.55 50.75 2psb s ASP 202 Cb -0.30 -1.84 0.36 0.00 -0.30 0.00 0.00 42.92 40.85 2psb s ASP 202 CO 0.38 -0.43 1.60 0.11 -0.17 0.00 0.00 175.17 176.66 2psb h LYS 203 N 7.37 0.01 0.41 4.34 1.57 -1.95 1.91 116.57 130.23 2psb h LYS 203 Ca -0.06 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2psb h LYS 203 Cb 0.98 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 2psb h LYS 203 CO 0.71 0.01 -0.23 0.87 -0.57 0.00 0.00 179.45 180.23 2psb h LYS 204 N 0.01 -0.57 -0.03 3.15 6.56 -1.95 -3.04 116.57 120.70 2psb h LYS 204 Ca 0.39 0.04 0.01 0.00 -1.06 0.00 0.00 60.65 60.03 2psb h LYS 204 Cb 0.62 0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 32.40 2psb h LYS 204 CO -0.81 -0.38 0.02 0.00 -2.06 0.00 0.00 179.45 176.22 2psb h ALA 205 N -1.62 1.98 -0.93 3.86 0.00 -1.82 -3.46 119.26 117.27 2psb h ALA 205 Ca -0.06 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2psb h ALA 205 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2psb h ALA 205 CO 0.07 -0.04 -0.14 0.39 0.00 0.00 0.00 179.25 179.53 2psb n GLU 206 N -4.45 -0.61 -4.04 0.00 1.02 0.64 -5.03 120.64 108.18 2psb n GLU 206 Ca -0.02 0.25 -0.12 0.00 -0.02 0.00 0.00 57.16 57.25 2psb n GLU 206 Cb 0.12 -3.97 -0.05 0.00 -0.02 0.00 0.00 31.44 27.53 2psb n GLU 206 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2psb s PHE 207 N -2.36 0.72 0.07 -0.32 -0.12 -1.17 -4.93 117.98 109.86 2psb s PHE 207 Ca 0.02 -1.04 0.01 0.00 -0.05 0.00 0.00 56.93 55.88 2psb s PHE 207 Cb -0.01 0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.40 2psb s PHE 207 CO 0.02 -1.07 0.13 0.71 -0.05 0.00 0.00 175.22 174.96 2psb s TYR 208 N -3.47 3.34 0.10 3.49 1.51 -1.26 0.83 117.35 121.89 2psb s TYR 208 Ca 0.27 0.16 0.06 0.00 -1.01 0.00 0.00 57.07 56.55 2psb s TYR 208 Cb -0.00 -1.69 -0.04 0.00 -0.11 0.00 0.00 41.96 40.12 2psb s TYR 208 CO 0.15 0.55 -0.06 0.99 -1.11 0.00 0.00 175.55 176.07 2psb s THR 209 N -1.43 3.61 0.16 -0.71 2.01 0.60 -4.41 115.64 115.47 2psb s THR 209 Ca 0.31 -1.17 0.10 0.00 0.31 0.00 0.00 61.69 61.24 2psb s THR 209 Cb -0.13 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 2psb s THR 209 CO 0.24 0.11 -0.21 -0.60 -0.69 0.00 0.00 174.62 173.47 2psb s ARG 210 N -2.25 1.33 -0.00 4.92 3.52 -1.26 -0.81 118.95 124.40 2psb s ARG 210 Ca 0.23 -1.39 -0.19 0.00 -0.13 0.00 0.00 55.73 54.25 2psb s ARG 210 Cb -0.11 -1.55 0.04 0.00 -1.56 0.00 0.00 34.95 31.77 2psb s ARG 210 CO 0.15 0.33 0.41 -1.54 -0.81 0.00 0.00 175.30 173.85 2psb s SER 211 N -2.46 -0.31 -0.02 -2.12 1.04 -0.91 0.94 113.70 109.87 2psb s SER 211 Ca 0.15 0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.78 2psb s SER 211 Cb -0.08 0.39 -0.00 0.00 0.10 0.00 0.00 66.02 66.43 2psb s SER 211 CO 0.07 -0.55 -0.09 -0.94 0.98 0.00 0.00 173.24 172.71 2psb s SER 212 N -1.52 1.17 -0.58 7.02 1.04 0.27 -1.55 113.70 119.56 2psb s SER 212 Ca -0.10 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.15 2psb s SER 212 Cb -0.03 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.87 2psb s SER 212 CO 0.03 0.09 0.00 0.47 0.98 0.00 0.00 173.24 174.81 2psb n ASP 213 N 3.07 -2.46 0.00 7.02 8.00 0.15 -1.04 116.55 131.28 2psb n ASP 213 Ca -0.16 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.66 2psb n ASP 213 Cb 0.55 -2.20 0.00 0.00 -0.02 0.00 0.00 41.12 39.46 2psb n ASP 213 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2psb n GLY 214 N -0.61 0.47 3.39 0.44 0.00 -1.26 -5.02 105.19 102.60 2psb n GLY 214 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 2psb n GLY 214 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2psb s VAL 215 N -2.17 2.61 0.20 1.61 1.01 -0.20 -5.10 120.40 118.36 2psb s VAL 215 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 2psb s VAL 215 Cb 0.00 -1.99 -0.09 0.00 0.00 0.00 0.00 36.38 34.30 2psb s VAL 215 CO 0.00 0.58 1.30 -0.51 0.00 0.00 0.00 175.10 176.47 2psb s ILE 216 N -0.52 3.21 -0.27 2.22 2.07 -1.26 -0.56 121.20 126.08 2psb s ILE 216 Ca 0.07 1.00 -0.29 0.00 -1.41 0.00 0.00 60.65 60.02 2psb s ILE 216 Cb -0.11 -3.64 -0.02 0.00 0.13 0.00 0.00 42.46 38.82 2psb s ILE 216 CO 0.01 0.15 1.60 -0.89 -1.91 0.00 0.00 174.94 173.90 2psb s THR 217 N 0.05 3.72 0.40 4.00 2.01 0.27 -4.87 115.64 121.22 2psb s THR 217 Ca 0.56 0.79 0.07 0.00 0.31 0.00 0.00 61.69 63.42 2psb s THR 217 Cb -0.36 -3.79 -0.08 0.00 0.01 0.00 0.00 72.50 68.27 2psb s THR 217 CO 0.39 -0.39 0.00 0.28 -0.69 0.00 0.00 174.62 174.21 2psb s THR 218 N 5.46 2.01 -0.35 -0.82 -1.32 -1.26 -1.64 115.64 117.72 2psb s THR 218 Ca 0.70 -2.01 -0.07 0.00 -1.21 0.00 0.00 61.69 59.10 2psb s THR 218 Cb -0.22 -2.97 0.04 0.00 -1.51 0.00 0.00 72.50 67.83 2psb s THR 218 CO 0.30 -0.01 0.12 -0.62 -2.21 0.00 0.00 174.62 172.19 2psb s ASP 219 N -3.70 5.37 0.46 8.08 -1.08 -0.87 -4.22 116.67 120.71 2psb s ASP 219 Ca 0.35 -1.14 0.31 0.00 -0.52 0.00 0.00 52.55 51.55 2psb s ASP 219 Cb 0.09 -1.89 1.41 0.00 -1.46 0.00 0.00 42.92 41.07 2psb s ASP 219 CO 0.18 -0.34 1.68 -0.09 0.52 0.00 0.00 175.17 177.12 2psb h ARG 220 N 8.25 0.13 0.00 4.34 2.43 -1.28 0.57 114.38 128.83 2psb h ARG 220 Ca -0.23 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.88 2psb h ARG 220 Cb 1.08 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 2psb h ARG 220 CO 0.61 0.09 -0.26 0.93 -1.51 0.00 0.00 179.97 179.83 2psb h GLU 221 N 0.14 0.00 0.00 0.20 4.39 -1.94 -3.25 114.58 114.12 2psb h GLU 221 Ca 0.74 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.44 2psb h GLU 221 Cb 2.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.06 2psb h GLU 221 CO -0.27 0.26 -1.25 0.25 -1.16 0.00 0.00 179.01 176.84 2psb n THR 222 N -3.77 0.00 -0.94 1.13 -2.24 0.78 -4.97 114.28 104.27 2psb n THR 222 Ca -0.01 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2psb n THR 222 Cb 0.36 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 2psb n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2psb n GLY 223 N 2.10 0.29 3.68 3.38 0.00 0.17 -4.97 105.19 109.82 2psb n GLY 223 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 2psb n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2psb s LYS 224 N -0.94 2.64 0.55 1.61 1.02 -1.25 -4.86 119.74 118.50 2psb s LYS 224 Ca 0.00 -0.75 -0.21 0.00 0.02 0.00 0.00 55.97 55.04 2psb s LYS 224 Cb 0.00 -2.58 -0.05 0.00 -0.52 0.00 0.00 37.83 34.68 2psb s LYS 224 CO 0.00 0.58 1.27 -2.14 -0.92 0.00 0.00 175.35 174.14 2psb s PRO 225 N -1.96 3.16 0.46 -1.68 0.02 -1.26 -2.05 135.00 131.69 2psb s PRO 225 Ca 0.23 2.02 -0.15 0.00 0.02 0.00 0.00 61.00 63.12 2psb s PRO 225 Cb -0.12 -2.16 -0.08 0.00 0.02 0.00 0.00 34.50 32.16 2psb s PRO 225 CO 0.14 -1.11 0.90 0.08 -0.33 0.00 0.00 177.00 176.69 2psb s VAL 226 N -1.43 4.60 0.20 3.83 1.01 -0.65 -4.86 120.40 123.10 2psb s VAL 226 Ca 0.73 1.06 -0.00 0.00 0.00 0.00 0.00 61.98 63.76 2psb s VAL 226 Cb -0.35 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2psb s VAL 226 CO 0.40 -0.56 0.09 0.00 0.00 0.00 0.00 175.10 175.04 2psb s ALA 227 N -2.46 1.27 0.00 5.51 0.00 -1.26 -4.36 121.76 120.45 2psb s ALA 227 Ca 0.57 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.84 2psb s ALA 227 Cb -0.10 1.12 0.00 0.00 0.00 0.00 0.00 23.12 24.14 2psb s ALA 227 CO 0.28 -0.51 0.00 1.04 0.00 0.00 0.00 175.76 176.58 2psb n GLN 229 N -0.28 0.00 -3.76 0.00 3.00 0.30 -4.68 117.38 111.96 2psb n GLN 229 Ca -0.01 -0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.85 2psb n GLN 229 Cb 0.65 -0.47 -0.13 0.00 0.00 0.00 0.00 30.24 30.29 2psb n GLN 229 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 2psb s ASN 230 N 0.00 -0.22 -0.20 1.08 -0.87 -0.97 -4.49 114.94 109.27 2psb s ASN 230 Ca 0.00 0.46 0.01 0.00 -1.57 0.00 0.00 52.86 51.76 2psb s ASN 230 Cb 0.00 0.38 0.03 0.00 -0.02 0.00 0.00 41.25 41.64 2psb s ASN 230 CO 0.00 -0.13 -0.17 -0.63 -2.57 0.00 0.00 177.10 173.60 2psb s ILE 231 N 0.84 2.18 -0.33 0.60 -1.09 -0.06 -0.98 121.20 122.36 2psb s ILE 231 Ca -0.06 -1.09 0.02 0.00 -2.23 0.00 0.00 60.65 57.29 2psb s ILE 231 Cb -0.07 -2.01 0.09 0.00 -1.58 0.00 0.00 42.46 38.88 2psb s ILE 231 CO -0.05 0.39 0.04 0.12 -1.23 0.00 0.00 174.94 174.20 2psb s PHE 232 N 1.26 3.57 -0.29 3.97 5.36 -0.28 -0.23 117.98 131.34 2psb s PHE 232 Ca 0.02 -2.63 -0.18 0.00 -0.96 0.00 0.00 56.93 53.17 2psb s PHE 232 Cb -0.15 -2.68 -0.02 0.00 -0.34 0.00 0.00 43.02 39.84 2psb s PHE 232 CO -0.10 -0.92 0.52 0.42 -1.46 0.00 0.00 175.22 173.67 2psb s ILE 233 N 1.02 5.05 -0.13 3.12 1.01 0.15 -0.60 121.20 130.82 2psb s ILE 233 Ca 0.04 0.73 -0.01 0.00 0.00 0.00 0.00 60.65 61.42 2psb s ILE 233 Cb -0.20 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 2psb s ILE 233 CO -0.06 -0.00 -0.10 -0.69 0.00 0.00 0.00 174.94 174.08 2psb s VAL 234 N 2.35 3.29 -0.38 2.92 1.01 0.58 -1.05 120.40 129.13 2psb s VAL 234 Ca 0.21 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 61.45 2psb s VAL 234 Cb -0.15 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.83 2psb s VAL 234 CO 0.10 0.52 0.34 -0.70 0.00 0.00 0.00 175.10 175.37 2psb s GLU 235 N 0.24 3.31 0.02 2.72 2.12 -0.56 0.06 118.70 126.61 2psb s GLU 235 Ca -0.07 -0.68 0.05 0.00 0.36 0.00 0.00 54.97 54.63 2psb s GLU 235 Cb -0.15 -3.88 -0.02 0.00 0.26 0.00 0.00 34.13 30.34 2psb s GLU 235 CO 0.05 -0.63 -0.14 0.00 -0.54 0.00 0.00 175.26 173.99 2psb s ALA 236 N 1.91 1.20 -0.01 6.30 0.00 -0.70 -4.27 121.76 126.19 2psb s ALA 236 Ca 0.09 -0.76 -0.30 0.00 0.00 0.00 0.00 51.96 50.99 2psb s ALA 236 Cb -0.17 -0.23 -0.06 0.00 0.00 0.00 0.00 23.12 22.65 2psb s ALA 236 CO 0.11 0.25 1.61 -1.12 0.00 0.00 0.00 175.76 176.62 2psb s SER 237 N -0.87 6.68 -0.20 0.00 0.01 -1.26 -4.23 113.70 113.85 2psb s SER 237 Ca 0.03 2.27 -0.10 0.00 1.31 0.00 0.00 55.95 59.46 2psb s SER 237 Cb -0.07 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 2psb s SER 237 CO 0.01 -0.88 0.15 -1.00 0.41 0.00 0.00 173.24 171.92 2psb s HIS 238 N 3.41 3.42 0.02 2.43 3.76 -1.26 -0.61 115.29 126.46 2psb s HIS 238 Ca 0.72 0.36 0.01 0.00 -0.15 0.00 0.00 55.06 56.00 2psb s HIS 238 Cb -0.35 -2.18 -0.02 0.00 1.11 0.00 0.00 32.58 31.15 2psb s HIS 238 CO 0.30 0.29 -0.05 -1.01 -0.85 0.00 0.00 174.74 173.41 2psb s HIS 239 N 0.37 0.47 -0.05 1.40 3.76 -0.26 -4.95 115.29 116.02 2psb s HIS 239 Ca 0.09 -0.37 -0.22 0.00 -0.15 0.00 0.00 55.06 54.42 2psb s HIS 239 Cb -0.11 -0.29 -0.04 0.00 1.11 0.00 0.00 32.58 33.24 2psb s HIS 239 CO -0.01 -0.08 0.63 0.96 -0.85 0.00 0.00 174.74 175.38 2psb s ILE 240 N -0.99 5.02 -0.02 0.60 -4.36 -1.26 0.99 121.20 121.18 2psb s ILE 240 Ca -0.08 1.29 0.03 0.00 -0.26 0.00 0.00 60.65 61.63 2psb s ILE 240 Cb -0.07 -3.96 0.04 0.00 1.25 0.00 0.00 42.46 39.71 2psb s ILE 240 CO -0.00 0.32 0.84 2.30 0.24 0.00 0.00 174.94 178.64 2psb n ILE 241 N 3.40 0.59 -4.49 8.37 -6.64 -0.76 -4.92 119.36 114.92 2psb n ILE 241 Ca -0.04 -0.65 -0.24 0.00 -1.77 0.00 0.00 62.75 60.05 2psb n ILE 241 Cb 0.51 0.58 -0.10 0.00 -1.44 0.00 0.00 39.64 39.19 2psb n ILE 241 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 2psb s ASP 242 N -0.89 3.22 0.21 7.28 2.15 -1.17 -5.00 116.67 122.47 2psb s ASP 242 Ca 0.05 -1.21 0.23 0.00 0.43 0.00 0.00 52.55 52.05 2psb s ASP 242 Cb 0.04 -0.25 0.17 0.00 -0.30 0.00 0.00 42.92 42.58 2psb s ASP 242 CO 0.00 -0.29 1.23 1.56 -0.17 0.00 0.00 175.17 177.50 2psb h GLN 243 N 2.14 0.00 -0.00 4.34 1.08 -1.98 -3.21 115.11 117.48 2psb h GLN 243 Ca -0.41 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.79 2psb h GLN 243 Cb 1.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 2psb h GLN 243 CO 0.69 0.00 -0.46 -0.25 -0.95 0.00 0.00 178.83 177.86 2psb n ASP 244 N -2.56 0.78 0.00 1.46 10.43 -1.26 -4.95 116.55 120.45 2psb n ASP 244 Ca 0.02 -0.58 0.00 0.00 2.57 0.00 0.00 54.79 56.80 2psb n ASP 244 Cb 0.51 0.29 0.00 0.00 1.84 0.00 0.00 41.12 43.76 2psb n ASP 244 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2psb n GLY 245 N 1.44 0.86 3.52 0.44 0.00 -1.21 -5.06 105.19 105.17 2psb n GLY 245 Ca 0.08 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.63 2psb n GLY 245 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2psb n ARG 246 N -1.31 0.83 -4.32 1.61 1.74 -1.26 -4.72 116.66 109.22 2psb n ARG 246 Ca 0.00 0.29 -0.29 0.00 -0.77 0.00 0.00 57.85 57.08 2psb n ARG 246 Cb 0.00 -1.53 -0.11 0.00 -1.02 0.00 0.00 32.46 29.80 2psb n ARG 246 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2psb s ARG 247 N -1.27 1.76 0.42 5.56 3.03 -1.26 -1.82 118.95 125.38 2psb s ARG 247 Ca 0.62 -1.26 0.07 0.00 2.03 0.00 0.00 55.73 57.20 2psb s ARG 247 Cb -0.80 -2.07 -0.03 0.00 -1.03 0.00 0.00 34.95 31.02 2psb s ARG 247 CO 0.58 0.46 0.32 0.34 -1.13 0.00 0.00 175.30 175.87 2psb s ASP 248 N -2.33 4.86 -0.15 -2.89 2.15 0.28 -4.89 116.67 113.70 2psb s ASP 248 Ca 0.19 -0.86 -0.01 0.00 0.43 0.00 0.00 52.55 52.30 2psb s ASP 248 Cb -0.10 -0.51 0.04 0.00 -0.30 0.00 0.00 42.92 42.05 2psb s ASP 248 CO 0.11 -0.64 -0.01 -0.63 -0.17 0.00 0.00 175.17 173.82 2psb s ILE 249 N -2.52 0.77 -0.49 4.11 1.01 -1.26 -1.10 121.20 121.72 2psb s ILE 249 Ca 0.46 -0.44 -0.27 0.00 0.00 0.00 0.00 60.65 60.39 2psb s ILE 249 Cb -0.01 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.40 2psb s ILE 249 CO 0.26 0.05 1.82 -0.62 0.00 0.00 0.00 174.94 176.46 2psb s ASP 250 N 1.78 5.55 -0.26 3.58 3.68 0.22 -4.81 116.67 126.41 2psb s ASP 250 Ca 0.01 0.75 0.13 0.00 2.13 0.00 0.00 52.55 55.56 2psb s ASP 250 Cb -0.15 -2.53 0.66 0.00 -1.45 0.00 0.00 42.92 39.45 2psb s ASP 250 CO -0.07 -2.08 1.63 0.18 0.13 0.00 0.00 175.17 174.96 2psb n LEU 251 N 11.66 5.06 0.00 -1.34 4.77 -1.26 -4.01 117.00 131.88 2psb n LEU 251 Ca 0.21 -3.19 0.00 0.00 -0.03 0.00 0.00 56.01 53.01 2psb n LEU 251 Cb 0.50 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2psb n LEU 251 CO 0.70 0.80 -0.44 1.21 -1.33 0.00 0.00 177.39 178.33 2psb n GLU 252 N -0.29 3.32 0.10 3.23 2.13 -1.26 -4.68 120.64 123.19 2psb n GLU 252 Ca 0.32 0.00 0.09 0.00 0.66 0.00 0.00 57.16 58.23 2psb n GLU 252 Cb 1.15 -0.94 0.42 0.00 0.27 0.00 0.00 31.44 32.34 2psb n GLU 252 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2psb n SER 253 N -1.85 0.43 -0.38 4.31 2.88 -1.26 -4.55 113.62 113.19 2psb n SER 253 Ca 0.00 0.64 0.05 0.00 -1.33 0.00 0.00 58.87 58.23 2psb n SER 253 Cb 0.44 -0.72 -0.01 0.00 -0.75 0.00 0.00 64.21 63.17 2psb n SER 253 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2psb n GLY 254 N -0.59 -1.66 0.00 0.46 0.00 -1.26 -5.02 105.19 97.12 2psb n GLY 254 Ca 0.01 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.61 2psb n GLY 254 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2psb n GLY 255 N -2.22 -0.55 3.85 -0.02 0.00 -0.11 -4.96 105.19 101.18 2psb n GLY 255 Ca -0.00 -0.79 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 2psb n GLY 255 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2psb s LYS 256 N -1.43 2.65 0.09 1.61 -2.85 -1.26 0.30 119.74 118.86 2psb s LYS 256 Ca 0.00 -1.37 -0.25 0.00 -1.00 0.00 0.00 55.97 53.34 2psb s LYS 256 Cb 0.00 -2.43 0.09 0.00 -2.06 0.00 0.00 37.83 33.42 2psb s LYS 256 CO 0.00 0.02 1.15 0.20 0.10 0.00 0.00 175.35 176.82 2psb s GLY 257 N -4.02 -0.06 0.00 0.59 0.00 0.28 -1.50 107.32 102.61 2psb s GLY 257 Ca 0.43 -0.06 0.06 0.00 0.00 0.00 0.00 44.72 45.15 2psb s GLY 257 CO 0.27 3.14 -0.19 1.08 0.00 0.00 0.00 173.10 177.39 2psb s LEU 258 N -3.47 2.07 -0.14 0.66 1.02 -0.21 0.28 118.68 118.89 2psb s LEU 258 Ca 0.23 -0.38 0.00 0.00 0.02 0.00 0.00 54.13 54.00 2psb s LEU 258 Cb -0.01 -0.95 0.02 0.00 0.02 0.00 0.00 46.19 45.27 2psb s LEU 258 CO 0.02 0.21 -0.13 -0.22 0.02 0.00 0.00 176.35 176.25 2psb s LEU 259 N -0.63 1.58 -0.22 1.79 2.96 -0.22 -0.67 118.68 123.28 2psb s LEU 259 Ca 0.07 -0.44 -0.03 0.00 -0.22 0.00 0.00 54.13 53.51 2psb s LEU 259 Cb -0.08 -1.10 0.00 0.00 0.50 0.00 0.00 46.19 45.51 2psb s LEU 259 CO -0.00 -0.06 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.53 2psb s PHE 260 N 1.49 2.94 -0.13 5.38 0.40 0.68 -0.59 117.98 128.15 2psb s PHE 260 Ca 0.04 -1.18 -0.14 0.00 -0.60 0.00 0.00 56.93 55.06 2psb s PHE 260 Cb -0.13 -2.06 0.04 0.00 0.51 0.00 0.00 43.02 41.38 2psb s PHE 260 CO -0.10 -0.63 0.39 1.14 0.70 0.00 0.00 175.22 176.72 2psb s GLN 261 N 1.42 0.49 -1.45 0.44 -2.07 -0.89 -0.88 119.66 116.72 2psb s GLN 261 Ca 0.05 0.46 -0.11 0.00 -1.82 0.00 0.00 55.36 53.94 2psb s GLN 261 Cb -0.14 0.24 0.05 0.00 -1.09 0.00 0.00 33.01 32.06 2psb s GLN 261 CO -0.06 -0.07 1.06 0.72 -1.32 0.00 0.00 175.29 175.62 2psb n HIS 262 N 2.67 -2.53 0.00 9.60 8.25 -1.26 -0.33 115.22 131.62 2psb n HIS 262 Ca -0.14 0.95 0.00 0.00 -0.26 0.00 0.00 57.72 58.27 2psb n HIS 262 Cb 0.57 -4.45 0.00 0.00 1.12 0.00 0.00 29.99 27.23 2psb n HIS 262 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2psb n GLY 263 N -1.81 1.56 3.89 -1.41 0.00 -1.26 -4.74 105.19 101.42 2psb n GLY 263 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2psb n GLY 263 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2psb s ASN 264 N -2.99 5.97 0.03 1.61 -0.87 0.55 0.15 114.94 119.39 2psb s ASN 264 Ca 0.00 1.15 0.04 0.00 -1.57 0.00 0.00 52.86 52.48 2psb s ASN 264 Cb 0.00 -2.19 -0.02 0.00 -0.02 0.00 0.00 41.25 39.02 2psb s ASN 264 CO 0.00 -0.94 -0.12 0.54 -2.57 0.00 0.00 177.10 174.01 2psb s VAL 265 N -3.10 0.95 -0.05 1.60 0.11 -1.26 -2.09 120.40 116.56 2psb s VAL 265 Ca 0.54 -0.86 -0.02 0.00 -2.93 0.00 0.00 61.98 58.72 2psb s VAL 265 Cb -0.11 -0.86 0.03 0.00 -1.53 0.00 0.00 36.38 33.91 2psb s VAL 265 CO 0.50 0.01 0.08 -0.63 -3.33 0.00 0.00 175.10 171.74 2psb s ILE 266 N -0.75 -0.11 0.13 7.04 1.01 0.24 -4.97 121.20 123.79 2psb s ILE 266 Ca 0.01 0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.66 2psb s ILE 266 Cb -0.07 -0.17 -0.06 0.00 0.01 0.00 0.00 42.46 42.17 2psb s ILE 266 CO 0.01 0.13 0.99 -1.61 0.00 0.00 0.00 174.94 174.45 2psb s GLU 267 N 1.65 4.68 0.37 2.79 2.02 -1.26 -1.05 118.70 127.90 2psb s GLU 267 Ca -0.03 1.50 -0.06 0.00 0.02 0.00 0.00 54.97 56.41 2psb s GLU 267 Cb -0.12 -3.36 0.02 0.00 0.10 0.00 0.00 34.13 30.77 2psb s GLU 267 CO -0.04 0.19 0.59 -0.08 0.02 0.00 0.00 175.26 175.95 2psb s THR 268 N -0.06 0.00 0.17 3.63 -1.32 0.14 -4.94 115.64 113.26 2psb s THR 268 Ca 0.47 -1.40 0.00 0.00 -1.21 0.00 0.00 61.69 59.55 2psb s THR 268 Cb -0.24 -2.79 0.00 0.00 -1.51 0.00 0.00 72.50 67.96 2psb s THR 268 CO 0.31 0.00 0.02 0.47 -2.21 0.00 0.00 174.62 173.21 2psb n ASP 269 N -1.57 2.33 -3.63 8.08 8.00 -1.05 0.10 116.55 128.82 2psb n ASP 269 Ca -0.02 -1.72 -0.14 0.00 0.71 0.00 0.00 54.79 53.63 2psb n ASP 269 Cb 0.61 0.10 -0.07 0.00 -0.02 0.00 0.00 41.12 41.74 2psb n ASP 269 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 2psb s TRP 270 N -1.50 -0.75 0.21 1.24 1.48 0.15 -2.07 118.94 117.70 2psb s TRP 270 Ca 0.01 1.82 0.07 0.00 -1.06 0.00 0.00 56.10 56.94 2psb s TRP 270 Cb -0.00 0.29 -0.05 0.00 -1.16 0.00 0.00 33.47 32.55 2psb s TRP 270 CO 0.01 -0.37 -0.11 0.15 -4.06 0.00 0.00 176.95 172.57 2psb s LYS 271 N 0.30 1.34 -0.18 3.25 1.02 -0.26 -0.94 119.74 124.27 2psb s LYS 271 Ca -0.00 -1.62 -0.14 0.00 0.02 0.00 0.00 55.97 54.24 2psb s LYS 271 Cb -0.05 -1.02 -0.05 0.00 -0.52 0.00 0.00 37.83 36.20 2psb s LYS 271 CO 0.01 0.12 0.29 -1.14 -0.92 0.00 0.00 175.35 173.70 2psb s GLN 272 N -3.69 4.22 -0.22 1.68 0.74 -1.26 0.34 119.66 121.47 2psb s GLN 272 Ca 0.24 0.06 -0.01 0.00 0.05 0.00 0.00 55.36 55.69 2psb s GLN 272 Cb 0.01 -3.46 0.06 0.00 1.10 0.00 0.00 33.01 30.72 2psb s GLN 272 CO 0.07 0.17 0.01 0.08 -0.55 0.00 0.00 175.29 175.07 2psb s VAL 273 N 0.69 0.91 -1.27 1.34 1.01 0.27 -4.84 120.40 118.50 2psb s VAL 273 Ca 0.15 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 2psb s VAL 273 Cb -0.13 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 2psb s VAL 273 CO 0.04 -0.20 0.72 0.59 0.00 0.00 0.00 175.10 176.25 2psb n ASN 274 N 4.90 -1.96 0.00 3.32 3.02 -1.26 -2.15 115.26 121.14 2psb n ASN 274 Ca -0.10 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 2psb n ASN 274 Cb 0.46 -4.04 0.00 0.00 -0.61 0.00 0.00 39.78 35.59 2psb n ASN 274 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2psb n GLY 275 N -1.57 0.45 3.37 7.41 0.00 -1.26 -4.72 105.19 108.87 2psb n GLY 275 Ca -0.26 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 2psb n GLY 275 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2psb s ARG 276 N -0.46 1.55 -0.48 1.61 0.52 -0.91 -3.73 118.95 117.04 2psb s ARG 276 Ca 0.00 -1.26 -0.23 0.00 -0.52 0.00 0.00 55.73 53.72 2psb s ARG 276 Cb 0.00 -1.93 0.03 0.00 0.52 0.00 0.00 34.95 33.57 2psb s ARG 276 CO 0.00 0.47 0.81 0.42 0.02 0.00 0.00 175.30 177.03 2psb s ILE 277 N -0.97 4.60 -0.23 1.52 1.01 -1.26 -0.57 121.20 125.31 2psb s ILE 277 Ca 0.13 0.34 -0.07 0.00 0.00 0.00 0.00 60.65 61.05 2psb s ILE 277 Cb -0.10 -4.37 -0.03 0.00 0.01 0.00 0.00 42.46 37.96 2psb s ILE 277 CO 0.05 -0.82 0.07 -0.69 0.00 0.00 0.00 174.94 173.55 2psb s VAL 278 N 3.41 4.52 0.03 2.92 1.01 0.15 -4.94 120.40 127.51 2psb s VAL 278 Ca 0.29 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 2psb s VAL 278 Cb -0.13 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 2psb s VAL 278 CO 0.21 0.38 1.25 -2.16 0.00 0.00 0.00 175.10 174.78 2psb s PRO 279 N 1.17 4.38 -0.02 2.72 0.04 -1.26 -1.10 135.00 140.92 2psb s PRO 279 Ca 0.05 1.80 0.02 0.00 0.04 0.00 0.00 61.00 62.90 2psb s PRO 279 Cb -0.14 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.97 2psb s PRO 279 CO 0.03 -0.37 -0.05 0.14 0.04 0.00 0.00 177.00 176.79 2psb s VAL 280 N 1.57 0.49 -0.06 -0.36 -7.23 -0.88 -0.96 120.40 112.98 2psb s VAL 280 Ca 0.59 -0.21 -0.02 0.00 -1.81 0.00 0.00 61.98 60.53 2psb s VAL 280 Cb -0.29 -0.45 0.04 0.00 0.56 0.00 0.00 36.38 36.24 2psb s VAL 280 CO 0.27 0.16 0.12 -0.75 -0.31 0.00 0.00 175.10 174.59 2psb s LYS 281 N 0.21 0.06 -1.38 4.82 2.47 0.13 -2.53 119.74 123.52 2psb s LYS 281 Ca -0.02 0.33 -0.07 0.00 -1.56 0.00 0.00 55.97 54.65 2psb s LYS 281 Cb -0.07 -0.19 0.01 0.00 -1.46 0.00 0.00 37.83 36.12 2psb s LYS 281 CO -0.00 -0.17 0.92 -0.25 0.16 0.00 0.00 175.35 176.01 2psb n ASP 282 N 4.20 -6.13 0.00 1.43 8.00 -1.26 -2.37 116.55 120.42 2psb n ASP 282 Ca -0.27 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 54.81 2psb n ASP 282 Cb 0.51 -4.83 0.00 0.00 -0.02 0.00 0.00 41.12 36.78 2psb n ASP 282 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2psb n GLY 283 N -1.78 0.45 3.09 0.44 0.00 -1.26 -5.03 105.19 101.10 2psb n GLY 283 Ca -0.04 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 2psb n GLY 283 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2psb s LYS 284 N -0.90 0.53 0.24 1.61 -2.85 -1.00 -5.14 119.74 112.24 2psb s LYS 284 Ca 0.00 -0.73 -0.30 0.00 -1.00 0.00 0.00 55.97 53.94 2psb s LYS 284 Cb 0.00 0.20 -0.09 0.00 -2.06 0.00 0.00 37.83 35.88 2psb s LYS 284 CO 0.00 -0.12 1.21 -1.58 0.10 0.00 0.00 175.35 174.96 2psb s TRP 285 N -2.40 3.37 -0.08 1.78 0.52 -1.26 0.20 118.94 121.07 2psb s TRP 285 Ca -0.07 1.46 -0.18 0.00 0.02 0.00 0.00 56.10 57.33 2psb s TRP 285 Cb -0.03 -3.47 -0.05 0.00 -1.15 0.00 0.00 33.47 28.78 2psb s TRP 285 CO -0.04 -1.28 0.50 -0.51 0.02 0.00 0.00 176.95 175.65 2psb s LEU 286 N -0.83 4.33 0.69 2.99 1.43 -0.14 -4.86 118.68 122.30 2psb s LEU 286 Ca 0.51 0.92 -0.09 0.00 -1.03 0.00 0.00 54.13 54.44 2psb s LEU 286 Cb -0.34 -2.74 0.04 0.00 0.03 0.00 0.00 46.19 43.17 2psb s LEU 286 CO 0.41 0.06 1.04 -2.16 0.23 0.00 0.00 176.35 175.93 2psb s PRO 287 N 0.25 2.53 0.19 1.29 0.04 -1.26 -4.72 135.00 133.32 2psb s PRO 287 Ca 0.27 0.08 0.06 0.00 0.04 0.00 0.00 61.00 61.45 2psb s PRO 287 Cb -0.16 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 2psb s PRO 287 CO 0.12 -1.10 0.15 -0.06 0.04 0.00 0.00 177.00 176.15 2psb s PHE 288 N -3.27 3.13 0.12 0.56 0.08 0.36 -4.81 117.98 114.14 2psb s PHE 288 Ca 0.58 -0.04 -0.29 0.00 0.12 0.00 0.00 56.93 57.30 2psb s PHE 288 Cb -0.11 -1.48 -0.06 0.00 -0.57 0.00 0.00 43.02 40.80 2psb s PHE 288 CO 0.48 0.52 0.92 0.08 -0.10 0.00 0.00 175.22 177.12 2psb s VAL 289 N -1.85 4.47 0.18 -0.44 1.01 -1.26 -0.87 120.40 121.63 2psb s VAL 289 Ca 0.31 2.00 -0.33 0.00 0.00 0.00 0.00 61.98 63.96 2psb s VAL 289 Cb -0.09 -4.29 -0.15 0.00 0.00 0.00 0.00 36.38 31.85 2psb s VAL 289 CO 0.24 0.36 1.30 -2.65 0.00 0.00 0.00 175.10 174.34 2psb n PRO 290 N 2.57 1.49 0.00 2.72 -0.02 -1.26 -4.74 135.00 135.76 2psb n PRO 290 Ca 0.01 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2psb n PRO 290 Cb 0.49 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2psb n PRO 290 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2psb n GLY 291 N 2.27 0.86 3.79 -1.23 0.00 0.14 -4.86 105.19 106.15 2psb n GLY 291 Ca 0.15 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.82 2psb n GLY 291 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2psb s LYS 292 N -1.48 4.47 -0.05 1.61 3.01 -1.26 -4.53 119.74 121.51 2psb s LYS 292 Ca 0.00 1.31 0.03 0.00 -1.01 0.00 0.00 55.97 56.30 2psb s LYS 292 Cb 0.00 -2.66 0.00 0.00 -1.01 0.00 0.00 37.83 34.17 2psb s LYS 292 CO 0.00 0.18 -0.15 0.99 0.51 0.00 0.00 175.35 176.88 2psb s THR 293 N -1.73 1.27 -0.18 2.17 2.01 -0.58 0.11 115.64 118.71 2psb s THR 293 Ca 0.53 -0.60 -0.01 0.00 0.31 0.00 0.00 61.69 61.92 2psb s THR 293 Cb -0.17 -1.12 0.00 0.00 0.01 0.00 0.00 72.50 71.22 2psb s THR 293 CO 0.22 0.38 -0.13 0.26 -0.69 0.00 0.00 174.62 174.66 2psb s TRP 294 N 0.30 2.84 -0.19 4.92 0.52 -0.15 -1.89 118.94 125.29 2psb s TRP 294 Ca -0.08 -1.13 -0.05 0.00 0.02 0.00 0.00 56.10 54.86 2psb s TRP 294 Cb -0.13 -1.96 -0.03 0.00 -1.15 0.00 0.00 33.47 30.20 2psb s TRP 294 CO 0.03 -0.56 -0.00 0.42 0.02 0.00 0.00 176.95 176.86 2psb s ILE 295 N 1.11 4.05 -0.30 2.03 1.01 0.10 -1.13 121.20 128.08 2psb s ILE 295 Ca 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 2psb s ILE 295 Cb -0.14 -2.82 0.04 0.00 0.01 0.00 0.00 42.46 39.55 2psb s ILE 295 CO -0.04 0.45 0.02 0.20 0.00 0.00 0.00 174.94 175.56 2psb s ASN 296 N 0.76 4.87 -0.12 3.58 0.01 0.23 -0.69 114.94 123.58 2psb s ASN 296 Ca 0.00 -1.09 -0.19 0.00 -0.71 0.00 0.00 52.86 50.86 2psb s ASN 296 Cb -0.14 -1.75 -0.04 0.00 0.41 0.00 0.00 41.25 39.73 2psb s ASN 296 CO 0.02 -0.24 0.53 -0.63 -1.51 0.00 0.00 177.10 175.28 2psb s ILE 297 N 1.33 5.15 0.07 0.60 1.01 -0.36 -0.31 121.20 128.68 2psb s ILE 297 Ca -0.03 1.07 0.05 0.00 0.00 0.00 0.00 60.65 61.75 2psb s ILE 297 Cb -0.19 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 2psb s ILE 297 CO -0.01 0.29 -0.15 0.68 0.00 0.00 0.00 174.94 175.76 2psb s VAL 298 N 0.78 1.15 -1.17 2.92 -7.23 0.11 -4.56 120.40 112.40 2psb s VAL 298 Ca 0.28 -1.27 0.29 0.00 -1.81 0.00 0.00 61.98 59.48 2psb s VAL 298 Cb -0.16 -1.09 0.31 0.00 0.56 0.00 0.00 36.38 36.00 2psb s VAL 298 CO 0.12 -0.18 1.90 -0.81 -0.31 0.00 0.00 175.10 175.82 2psb n PRO 299 N 1.37 0.17 -3.45 4.82 -0.04 -1.26 -1.71 135.00 134.90 2psb n PRO 299 Ca -0.21 -0.02 -0.08 0.00 -0.04 0.00 0.00 63.50 63.15 2psb n PRO 299 Cb 0.54 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 2psb n PRO 299 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2psb s ASP 300 N -2.84 -0.10 0.00 3.54 3.68 -1.26 -4.73 116.67 114.96 2psb s ASP 300 Ca 0.19 0.58 0.00 0.00 2.13 0.00 0.00 52.55 55.45 2psb s ASP 300 Cb 0.19 1.31 0.00 0.00 -1.45 0.00 0.00 42.92 42.97 2psb s ASP 300 CO 0.53 -0.27 0.78 -0.11 0.13 0.00 0.00 175.17 176.22 2psb n LEU 301 N 5.38 0.00 0.24 -1.34 -0.00 -1.26 0.42 117.00 120.44 2psb n LEU 301 Ca -0.05 0.30 0.14 0.00 -0.00 0.00 0.00 56.01 56.39 2psb n LEU 301 Cb 0.50 -0.30 0.37 0.00 -0.00 0.00 0.00 43.42 44.00 2psb n LEU 301 CO 0.03 -0.30 0.88 -0.78 -0.00 0.00 0.00 177.39 177.23 2psb h ASP 302 N 0.00 0.00 0.50 1.96 -0.00 -1.98 -3.00 116.42 113.89 2psb h ASP 302 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 2psb h ASP 302 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.63 2psb h ASP 302 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.24 2psb h ALA 303 N 2.01 1.00 -2.68 -0.78 0.00 -0.35 -3.43 119.26 115.03 2psb h ALA 303 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 2psb h ALA 303 Cb 0.80 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2psb h ALA 303 CO 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 179.25 178.98 2psb s ALA 304 N -3.82 3.75 -0.19 0.00 0.00 -1.14 -1.89 121.76 118.47 2psb s ALA 304 Ca -0.01 -0.48 -0.06 0.00 0.00 0.00 0.00 51.96 51.41 2psb s ALA 304 Cb 0.10 -2.20 0.09 0.00 0.00 0.00 0.00 23.12 21.12 2psb s ALA 304 CO 0.45 0.63 0.38 -1.12 0.00 0.00 0.00 175.76 176.09 2psb s SER 305 N -2.28 -0.02 0.68 0.00 0.01 -0.79 -4.99 113.70 106.31 2psb s SER 305 Ca 0.40 0.75 -0.08 0.00 1.31 0.00 0.00 55.95 58.33 2psb s SER 305 Cb -0.12 1.17 0.03 0.00 0.21 0.00 0.00 66.02 67.30 2psb s SER 305 CO 0.23 -0.25 1.02 0.27 0.41 0.00 0.00 173.24 174.92 2psb s ILE 306 N 2.56 3.11 -0.15 1.44 -4.36 -1.26 -1.87 121.20 120.67 2psb s ILE 306 Ca 0.02 0.09 -0.28 0.00 -0.26 0.00 0.00 60.65 60.21 2psb s ILE 306 Cb -0.13 -3.31 0.07 0.00 1.25 0.00 0.00 42.46 40.34 2psb s ILE 306 CO -0.12 -0.36 0.71 -0.44 0.24 0.00 0.00 174.94 174.96 2psb s SER 307 N -4.40 -0.69 0.00 4.36 0.01 0.74 -4.94 113.70 108.78 2psb s SER 307 Ca 0.57 1.03 0.30 0.00 1.31 0.00 0.00 55.95 59.16 2psb s SER 307 Cb -0.11 0.94 1.43 0.00 0.21 0.00 0.00 66.02 68.50 2psb s SER 307 CO 0.47 -0.45 1.96 1.17 0.41 0.00 0.00 173.24 176.81