#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfb s PRO 6 N 0.00 3.88 0.37 0.00 0.04 -1.26 -4.34 135.00 133.69 1jfb s PRO 6 Ca 0.00 1.01 -0.27 0.00 0.04 0.00 0.00 61.00 61.78 1jfb s PRO 6 Cb 0.00 -2.12 -0.10 0.00 0.04 0.00 0.00 34.50 32.32 1jfb s PRO 6 CO 0.00 -0.33 1.31 -1.12 0.04 0.00 0.00 177.00 176.90 1jfb s SER 7 N -2.94 6.54 -0.00 6.66 0.01 -1.26 -0.94 113.70 121.78 1jfb s SER 7 Ca 0.60 2.68 0.01 0.00 1.31 0.00 0.00 55.95 60.55 1jfb s SER 7 Cb -0.11 -2.64 -0.00 0.00 0.21 0.00 0.00 66.02 63.48 1jfb s SER 7 CO 0.30 -0.69 -0.04 0.12 0.41 0.00 0.00 173.24 173.34 1jfb s PHE 8 N -1.20 0.34 0.63 2.43 2.19 -0.48 -4.33 117.98 117.56 1jfb s PHE 8 Ca 0.53 -0.06 -0.15 0.00 0.33 0.00 0.00 56.93 57.57 1jfb s PHE 8 Cb -0.39 -0.23 -0.02 0.00 -1.31 0.00 0.00 43.02 41.08 1jfb s PHE 8 CO 0.51 -0.01 1.09 -1.25 1.83 0.00 0.00 175.22 177.39 1jfb s PRO 9 N -0.07 3.02 0.54 10.12 0.04 -1.26 -4.37 135.00 143.02 1jfb s PRO 9 Ca 0.01 1.33 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 1jfb s PRO 9 Cb -0.02 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 1jfb s PRO 9 CO -0.00 -1.06 0.93 -0.06 0.04 0.00 0.00 177.00 176.84 1jfb s PHE 10 N -2.36 3.56 0.15 0.56 0.08 -1.26 -5.08 117.98 113.62 1jfb s PHE 10 Ca 0.66 1.18 -0.10 0.00 0.12 0.00 0.00 56.93 58.79 1jfb s PHE 10 Cb -0.19 -2.60 -0.06 0.00 -0.57 0.00 0.00 43.02 39.60 1jfb s PHE 10 CO 0.39 -0.45 0.47 -1.12 -0.10 0.00 0.00 175.22 174.42 1jfb s SER 11 N -3.80 6.65 0.53 1.36 0.01 -1.26 -4.78 113.70 112.41 1jfb s SER 11 Ca 0.53 0.86 -0.21 0.00 1.31 0.00 0.00 55.95 58.45 1jfb s SER 11 Cb -0.11 -2.20 -0.05 0.00 0.21 0.00 0.00 66.02 63.87 1jfb s SER 11 CO 0.44 0.06 1.24 -0.13 0.41 0.00 0.00 173.24 175.27 1jfb s ARG 12 N -2.31 3.30 0.42 12.44 0.52 0.05 -4.17 118.95 129.21 1jfb s ARG 12 Ca 0.40 1.94 0.12 0.00 -0.52 0.00 0.00 55.73 57.67 1jfb s ARG 12 Cb -0.13 -2.20 0.90 0.00 0.52 0.00 0.00 34.95 34.04 1jfb s ARG 12 CO 0.20 -0.98 1.95 0.00 0.02 0.00 0.00 175.30 176.50 1jfb h ALA 13 N 1.48 1.61 -2.71 2.13 0.00 -1.49 -3.45 119.26 116.82 1jfb h ALA 13 Ca -0.50 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.31 1jfb h ALA 13 Cb 1.28 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1jfb h ALA 13 CO 0.58 0.29 0.44 -1.54 0.00 0.00 0.00 179.25 179.02 1jfb s SER 14 N -6.95 -0.03 0.17 0.00 1.04 -1.26 -5.01 113.70 101.66 1jfb s SER 14 Ca -0.05 -0.82 -0.27 0.00 0.48 0.00 0.00 55.95 55.30 1jfb s SER 14 Cb 0.16 0.64 0.01 0.00 0.10 0.00 0.00 66.02 66.92 1jfb s SER 14 CO 0.71 -1.26 1.49 0.61 0.98 0.00 0.00 173.24 175.78 1jfb n GLY 15 N -0.60 -2.39 1.10 7.32 0.00 -1.26 -1.77 105.19 107.60 1jfb n GLY 15 Ca -0.05 1.13 0.11 0.00 0.00 0.00 0.00 46.02 47.21 1jfb n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jfb n PRO 16 N -5.26 2.41 -4.08 1.61 -0.04 -1.26 -4.72 135.00 123.65 1jfb n PRO 16 Ca 0.04 -2.17 -0.28 0.00 -0.04 0.00 0.00 63.50 61.05 1jfb n PRO 16 Cb 0.29 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.19 1jfb n PRO 16 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1jfb s GLU 17 N -1.36 2.84 0.98 0.54 2.02 -0.73 -5.02 118.70 117.96 1jfb s GLU 17 Ca 0.40 -0.82 -0.12 0.00 0.02 0.00 0.00 54.97 54.45 1jfb s GLU 17 Cb 0.22 -2.65 0.18 0.00 0.10 0.00 0.00 34.13 31.98 1jfb s GLU 17 CO 0.30 0.51 1.08 -2.14 0.02 0.00 0.00 175.26 175.04 1jfb s PRO 18 N -2.80 0.58 0.30 0.39 0.02 -1.26 -3.76 135.00 128.47 1jfb s PRO 18 Ca 0.30 0.89 -0.29 0.00 0.02 0.00 0.00 61.00 61.91 1jfb s PRO 18 Cb -0.11 -1.73 -0.13 0.00 0.02 0.00 0.00 34.50 32.56 1jfb s PRO 18 CO 0.22 -2.72 1.26 -2.30 -0.33 0.00 0.00 177.00 173.14 1jfb n PRO 19 N -4.22 1.95 0.27 5.54 -0.02 -1.26 -2.00 135.00 135.26 1jfb n PRO 19 Ca 0.06 0.69 0.16 0.00 -2.02 0.00 0.00 63.50 62.39 1jfb n PRO 19 Cb 0.55 -2.24 0.70 0.00 -0.02 0.00 0.00 33.50 32.48 1jfb n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jfb h ALA 20 N 2.85 1.03 -0.63 3.55 0.00 -1.91 -3.21 119.26 120.94 1jfb h ALA 20 Ca -0.45 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1jfb h ALA 20 Cb 1.29 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1jfb h ALA 20 CO 0.65 0.07 0.31 0.93 0.00 0.00 0.00 179.25 181.21 1jfb h GLU 21 N 0.00 0.90 -0.62 0.00 3.07 -1.91 -3.27 114.58 112.75 1jfb h GLU 21 Ca -0.00 -0.11 -0.06 0.00 -0.50 0.00 0.00 59.36 58.69 1jfb h GLU 21 Cb 0.49 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 1jfb h GLU 21 CO 0.01 0.69 0.16 0.74 -1.40 0.00 0.00 179.01 179.21 1jfb h PHE 22 N 0.89 1.03 -0.75 4.33 0.05 -1.95 -1.82 116.94 118.73 1jfb h PHE 22 Ca 0.22 -0.12 -0.04 0.00 3.82 0.00 0.00 57.97 61.85 1jfb h PHE 22 Cb 0.09 -0.29 -0.03 0.00 2.00 0.00 0.00 35.95 37.71 1jfb h PHE 22 CO 0.01 0.86 0.31 0.00 -0.18 0.00 0.00 178.31 179.31 1jfb h ALA 23 N 1.05 1.13 -0.55 2.45 0.00 -1.81 0.11 119.26 121.64 1jfb h ALA 23 Ca 0.20 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1jfb h ALA 23 Cb 0.34 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1jfb h ALA 23 CO 0.00 0.63 0.08 0.87 0.00 0.00 0.00 179.25 180.83 1jfb h LYS 24 N 1.08 0.91 -0.43 0.00 1.57 -1.61 -2.35 116.57 115.74 1jfb h LYS 24 Ca 0.25 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1jfb h LYS 24 Cb 0.19 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1jfb h LYS 24 CO -0.02 0.88 0.07 -0.07 -0.57 0.00 0.00 179.45 179.75 1jfb h LEU 25 N 0.80 0.68 -1.07 2.94 3.38 -0.89 -1.40 115.31 119.75 1jfb h LEU 25 Ca 0.17 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1jfb h LEU 25 Cb 0.42 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1jfb h LEU 25 CO 0.01 0.76 0.63 0.03 0.09 0.00 0.00 178.44 179.96 1jfb h ARG 26 N 0.57 1.24 -0.21 1.13 3.08 -0.64 -0.15 114.38 119.40 1jfb h ARG 26 Ca 0.13 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 59.92 1jfb h ARG 26 Cb 0.37 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1jfb h ARG 26 CO 0.01 0.82 -0.60 0.00 -1.07 0.00 0.00 179.97 179.13 1jfb h ALA 27 N 1.41 0.54 0.00 0.04 0.00 -1.13 -3.42 119.26 116.71 1jfb h ALA 27 Ca 0.35 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1jfb h ALA 27 Cb -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1jfb h ALA 27 CO -0.08 0.69 0.00 0.25 0.00 0.00 0.00 179.25 180.11 1jfb n THR 28 N -3.96 0.00 -2.72 0.00 -2.24 -0.55 -4.94 114.28 99.86 1jfb n THR 28 Ca -0.04 -0.20 -0.07 0.00 -2.27 0.00 0.00 64.05 61.47 1jfb n THR 28 Cb 0.65 1.02 0.05 0.00 -2.10 0.00 0.00 70.33 69.95 1jfb n THR 28 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jfb n ASN 29 N -0.40 -2.47 0.30 3.42 4.05 -0.19 -5.03 115.26 114.95 1jfb n ASN 29 Ca 0.00 -2.76 0.19 0.00 0.45 0.00 0.00 54.58 52.46 1jfb n ASN 29 Cb 0.00 1.48 0.96 0.00 1.23 0.00 0.00 39.78 43.45 1jfb n ASN 29 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1jfb h PRO 30 N 3.87 0.00 -4.41 1.20 0.13 -1.46 -3.37 132.00 127.96 1jfb h PRO 30 Ca -0.15 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.37 1jfb h PRO 30 Cb 1.09 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.84 1jfb h PRO 30 CO 0.14 0.02 -0.79 0.08 -0.23 0.00 0.00 178.00 177.22 1jfb s VAL 31 N -4.02 1.57 0.13 1.56 1.01 -1.26 -2.40 120.40 116.99 1jfb s VAL 31 Ca -0.03 -1.18 -0.10 0.00 0.00 0.00 0.00 61.98 60.67 1jfb s VAL 31 Cb 0.12 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.71 1jfb s VAL 31 CO 0.49 -0.04 0.28 -0.94 0.00 0.00 0.00 175.10 174.88 1jfb s SER 32 N 1.39 0.02 0.09 3.32 1.04 -0.86 -4.91 113.70 113.79 1jfb s SER 32 Ca -0.05 -0.70 -0.17 0.00 0.48 0.00 0.00 55.95 55.51 1jfb s SER 32 Cb -0.18 0.41 -0.07 0.00 0.10 0.00 0.00 66.02 66.28 1jfb s SER 32 CO -0.06 -0.84 0.54 -1.10 0.98 0.00 0.00 173.24 172.76 1jfb s GLN 33 N -3.90 4.09 0.20 4.02 -0.21 -1.26 -0.01 119.66 122.60 1jfb s GLN 33 Ca 0.10 0.62 0.09 0.00 0.02 0.00 0.00 55.36 56.19 1jfb s GLN 33 Cb 0.03 -3.14 -0.05 0.00 1.00 0.00 0.00 33.01 30.86 1jfb s GLN 33 CO -0.06 0.59 -0.16 0.14 -2.12 0.00 0.00 175.29 173.68 1jfb s VAL 34 N -1.22 1.86 -0.21 1.09 -7.23 0.32 -4.32 120.40 110.69 1jfb s VAL 34 Ca 0.31 -2.14 -0.08 0.00 -1.81 0.00 0.00 61.98 58.26 1jfb s VAL 34 Cb -0.18 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 1jfb s VAL 34 CO 0.18 -0.48 0.09 -0.75 -0.31 0.00 0.00 175.10 173.84 1jfb s LYS 35 N -3.34 3.96 0.68 4.82 2.20 -0.12 -1.09 119.74 126.85 1jfb s LYS 35 Ca 0.21 -0.34 -0.03 0.00 -0.36 0.00 0.00 55.97 55.45 1jfb s LYS 35 Cb -0.03 -3.33 0.08 0.00 -1.51 0.00 0.00 37.83 33.04 1jfb s LYS 35 CO 0.08 0.14 0.95 -0.51 -0.36 0.00 0.00 175.35 175.65 1jfb s LEU 36 N 0.77 3.00 0.54 5.43 1.43 0.09 -1.38 118.68 128.55 1jfb s LEU 36 Ca 0.05 0.05 0.21 0.00 -1.03 0.00 0.00 54.13 53.41 1jfb s LEU 36 Cb -0.13 -2.64 1.44 0.00 0.03 0.00 0.00 46.19 44.89 1jfb s LEU 36 CO 0.02 -1.61 2.16 2.19 0.23 0.00 0.00 176.35 179.34 1jfb h PHE 37 N -0.44 0.00 -0.06 0.29 -0.00 -1.80 0.13 116.94 115.06 1jfb h PHE 37 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.56 1jfb h PHE 37 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.24 1jfb h PHE 37 CO 0.08 0.00 0.00 -0.40 -0.00 0.00 0.00 178.31 177.99 1jfb n ASP 38 N -4.31 1.30 0.00 -0.68 3.85 -1.26 -4.91 116.55 110.54 1jfb n ASP 38 Ca -0.02 -1.51 0.00 0.00 -0.71 0.00 0.00 54.79 52.56 1jfb n ASP 38 Cb 0.15 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 39.89 1jfb n ASP 38 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jfb n GLY 39 N 1.12 1.49 3.79 6.12 0.00 0.03 -5.06 105.19 112.68 1jfb n GLY 39 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1jfb n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jfb s SER 40 N -3.14 5.86 -0.30 1.61 1.04 -1.26 -4.74 113.70 112.78 1jfb s SER 40 Ca 0.00 2.02 -0.09 0.00 0.48 0.00 0.00 55.95 58.36 1jfb s SER 40 Cb 0.00 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.54 1jfb s SER 40 CO 0.00 -1.12 0.14 -0.76 0.98 0.00 0.00 173.24 172.48 1jfb s LEU 41 N -3.93 3.98 0.18 2.42 1.43 -1.26 -0.73 118.68 120.77 1jfb s LEU 41 Ca 0.69 -0.43 0.08 0.00 -1.03 0.00 0.00 54.13 53.43 1jfb s LEU 41 Cb -0.20 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1jfb s LEU 41 CO 0.28 -0.16 -0.02 0.00 0.23 0.00 0.00 176.35 176.69 1jfb s ALA 42 N 1.62 3.16 -0.06 4.21 0.00 -0.25 -4.66 121.76 125.78 1jfb s ALA 42 Ca 0.05 -1.39 -0.25 0.00 0.00 0.00 0.00 51.96 50.37 1jfb s ALA 42 Cb -0.17 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 1jfb s ALA 42 CO 0.06 0.47 0.75 -1.58 0.00 0.00 0.00 175.76 175.47 1jfb s TRP 43 N -1.74 3.58 -0.20 0.00 0.52 0.20 -0.52 118.94 120.78 1jfb s TRP 43 Ca 0.27 1.32 -0.07 0.00 0.02 0.00 0.00 56.10 57.65 1jfb s TRP 43 Cb -0.09 -2.87 -0.03 0.00 -1.15 0.00 0.00 33.47 29.33 1jfb s TRP 43 CO 0.18 0.05 0.05 -1.17 0.02 0.00 0.00 176.95 176.08 1jfb s LEU 44 N 0.92 3.57 -0.16 2.99 2.96 0.99 -0.25 118.68 129.70 1jfb s LEU 44 Ca 0.40 -0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 54.23 1jfb s LEU 44 Cb -0.18 -1.92 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 1jfb s LEU 44 CO 0.19 0.09 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.52 1jfb s VAL 45 N 0.84 3.05 0.00 1.68 1.01 -0.15 -2.02 120.40 124.82 1jfb s VAL 45 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1jfb s VAL 45 Cb -0.14 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1jfb s VAL 45 CO 0.02 0.49 0.00 0.35 0.00 0.00 0.00 175.10 175.97 1jfb n THR 46 N 4.05 0.00 -3.39 3.92 -2.24 -1.01 -0.72 114.28 114.89 1jfb n THR 46 Ca -0.18 -0.01 -0.36 0.00 -2.27 0.00 0.00 64.05 61.22 1jfb n THR 46 Cb 0.52 0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 69.19 1jfb n THR 46 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jfb s LYS 47 N -1.94 3.99 0.20 -0.78 -0.14 -1.26 -3.30 119.74 116.51 1jfb s LYS 47 Ca 0.00 0.49 -0.13 0.00 -1.36 0.00 0.00 55.97 54.97 1jfb s LYS 47 Cb 0.00 -3.06 0.22 0.00 -1.68 0.00 0.00 37.83 33.31 1jfb s LYS 47 CO 0.00 0.57 1.66 1.25 -0.76 0.00 0.00 175.35 178.07 1jfb h HIS 48 N 4.01 -0.12 -0.97 3.18 -0.00 -1.87 0.22 115.15 119.60 1jfb h HIS 48 Ca -0.49 0.04 0.02 0.00 -0.00 0.00 0.00 60.37 59.94 1jfb h HIS 48 Cb 1.20 0.14 -0.05 0.00 -0.00 0.00 0.00 27.41 28.70 1jfb h HIS 48 CO 0.67 -0.17 0.64 1.57 -0.00 0.00 0.00 177.93 180.63 1jfb h LYS 49 N 0.07 1.23 0.01 5.26 2.10 -1.95 -1.24 116.57 122.05 1jfb h LYS 49 Ca 0.28 -0.07 -0.22 0.00 -2.00 0.00 0.00 60.65 58.64 1jfb h LYS 49 Cb 0.43 -0.28 -0.00 0.00 -0.90 0.00 0.00 32.23 31.48 1jfb h LYS 49 CO -0.50 0.81 -0.93 -0.44 -2.00 0.00 0.00 179.45 176.39 1jfb h ASP 50 N 1.27 0.40 -0.63 7.07 3.45 -1.66 -2.15 116.42 124.16 1jfb h ASP 50 Ca 0.37 -0.33 -0.02 0.00 0.43 0.00 0.00 57.03 57.48 1jfb h ASP 50 Cb -0.08 -0.12 -0.03 0.00 -0.56 0.00 0.00 39.33 38.54 1jfb h ASP 50 CO -0.10 1.14 0.30 0.58 -1.57 0.00 0.00 179.24 179.60 1jfb h VAL 51 N 0.16 1.22 -0.80 -1.35 2.07 -0.59 -0.50 116.25 116.45 1jfb h VAL 51 Ca -0.07 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 1jfb h VAL 51 Cb 1.57 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 1jfb h VAL 51 CO 0.15 0.25 0.34 0.00 0.02 0.00 0.00 177.57 178.33 1jfb h PHE 53 N 1.16 0.16 -0.77 0.00 3.04 -1.01 -2.32 116.94 117.21 1jfb h PHE 53 Ca 0.27 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.24 1jfb h PHE 53 Cb 0.19 -0.05 -0.04 0.00 2.56 0.00 0.00 35.95 38.62 1jfb h PHE 53 CO 0.02 0.09 0.50 0.28 -2.02 0.00 0.00 178.31 177.18 1jfb h VAL 54 N 0.19 1.18 0.00 1.41 2.07 -0.76 -0.48 116.25 119.86 1jfb h VAL 54 Ca 0.07 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1jfb h VAL 54 Cb 0.02 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1jfb h VAL 54 CO -0.05 0.19 -0.15 0.00 0.02 0.00 0.00 177.57 177.57 1jfb h ALA 55 N 1.29 1.28 0.00 1.67 0.00 -0.84 -3.27 119.26 119.39 1jfb h ALA 55 Ca 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1jfb h ALA 55 Cb -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1jfb h ALA 55 CO -0.07 0.19 -1.03 0.25 0.00 0.00 0.00 179.25 178.59 1jfb n THR 56 N -3.68 0.00 -1.99 0.00 -2.24 -0.90 -4.52 114.28 100.96 1jfb n THR 56 Ca -0.02 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.10 1jfb n THR 56 Cb 0.27 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 69.04 1jfb n THR 56 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1jfb s SER 57 N -2.59 6.63 0.00 3.42 0.15 -0.22 -4.87 113.70 116.23 1jfb s SER 57 Ca -0.01 2.61 0.28 0.00 0.70 0.00 0.00 55.95 59.52 1jfb s SER 57 Cb 0.06 -2.60 1.43 0.00 -1.71 0.00 0.00 66.02 63.20 1jfb s SER 57 CO 0.38 -0.76 1.95 -0.62 1.20 0.00 0.00 173.24 175.39 1jfb n GLU 58 N 3.36 0.47 0.00 5.44 1.02 -1.26 -2.48 120.64 127.18 1jfb n GLU 58 Ca 0.11 0.02 0.15 0.00 -0.02 0.00 0.00 57.16 57.42 1jfb n GLU 58 Cb 0.40 -1.50 0.65 0.00 -0.02 0.00 0.00 31.44 30.97 1jfb n GLU 58 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1jfb n LYS 59 N -1.24 1.22 -4.50 3.49 5.02 -1.26 -4.86 118.16 116.03 1jfb n LYS 59 Ca 0.14 -0.51 -0.30 0.00 -2.02 0.00 0.00 58.31 55.62 1jfb n LYS 59 Cb 0.20 -1.49 -0.13 0.00 -0.02 0.00 0.00 35.03 33.59 1jfb n LYS 59 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jfb s LEU 60 N -2.13 2.48 0.04 -0.35 1.43 -1.04 -0.71 118.68 118.40 1jfb s LEU 60 Ca 0.38 -0.60 0.06 0.00 -1.03 0.00 0.00 54.13 52.95 1jfb s LEU 60 Cb 0.21 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 1jfb s LEU 60 CO 0.39 0.21 -0.18 -0.55 0.23 0.00 0.00 176.35 176.44 1jfb s SER 61 N -1.83 2.18 0.00 2.29 0.15 -0.07 -4.91 113.70 111.50 1jfb s SER 61 Ca 0.15 -0.49 0.26 0.00 0.70 0.00 0.00 55.95 56.57 1jfb s SER 61 Cb -0.10 -0.17 0.68 0.00 -1.71 0.00 0.00 66.02 64.71 1jfb s SER 61 CO 0.07 0.12 1.52 0.29 1.20 0.00 0.00 173.24 176.44 1jfb n LYS 62 N 1.89 1.40 -2.23 5.44 5.02 -1.26 -1.17 118.16 127.25 1jfb n LYS 62 Ca -0.17 -0.94 -0.42 0.00 -2.02 0.00 0.00 58.31 54.75 1jfb n LYS 62 Cb 0.54 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 1jfb n LYS 62 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1jfb s VAL 63 N -2.24 3.76 -0.99 -0.18 1.01 -1.24 -4.67 120.40 115.84 1jfb s VAL 63 Ca 0.29 1.12 0.27 0.00 0.00 0.00 0.00 61.98 63.66 1jfb s VAL 63 Cb 0.20 -3.72 0.14 0.00 0.00 0.00 0.00 36.38 33.00 1jfb s VAL 63 CO 0.43 -0.01 1.71 0.54 0.00 0.00 0.00 175.10 177.77 1jfb n ARG 64 N 5.49 0.01 0.00 2.72 1.74 -1.26 -2.61 116.66 122.74 1jfb n ARG 64 Ca 0.13 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.36 1jfb n ARG 64 Cb 0.44 -1.50 0.69 0.00 -1.02 0.00 0.00 32.46 31.06 1jfb n ARG 64 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1jfb n THR 65 N -1.51 0.00 -2.17 0.55 -2.24 -1.26 -4.78 114.28 102.86 1jfb n THR 65 Ca 0.06 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 1jfb n THR 65 Cb 0.34 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.26 1jfb n THR 65 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1jfb s ARG 66 N -2.50 4.28 0.27 -0.78 0.52 -1.07 -4.96 118.95 114.71 1jfb s ARG 66 Ca 0.29 2.04 -0.30 0.00 -0.52 0.00 0.00 55.73 57.25 1jfb s ARG 66 Cb 0.20 -3.49 -0.11 0.00 0.52 0.00 0.00 34.95 32.08 1jfb s ARG 66 CO 0.47 -0.56 1.51 -1.14 0.02 0.00 0.00 175.30 175.60 1jfb s GLN 67 N 2.07 4.20 0.00 3.54 0.74 -1.26 -1.71 119.66 127.24 1jfb s GLN 67 Ca 0.65 2.43 0.00 0.00 0.05 0.00 0.00 55.36 58.50 1jfb s GLN 67 Cb -0.34 -3.07 0.00 0.00 1.10 0.00 0.00 33.01 30.71 1jfb s GLN 67 CO 0.28 -0.51 0.00 0.41 -0.55 0.00 0.00 175.29 174.92 1jfb n GLY 68 N 2.09 0.88 3.74 2.59 0.00 -1.26 -4.69 105.19 108.54 1jfb n GLY 68 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1jfb n GLY 68 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jfb s PHE 69 N -2.09 2.94 -1.24 1.61 5.36 -0.69 -2.84 117.98 121.03 1jfb s PHE 69 Ca 0.00 0.83 -0.17 0.00 -0.96 0.00 0.00 56.93 56.63 1jfb s PHE 69 Cb 0.00 -3.94 0.11 0.00 -0.34 0.00 0.00 43.02 38.85 1jfb s PHE 69 CO 0.00 -3.22 1.59 -1.25 -1.46 0.00 0.00 175.22 170.89 1jfb s PRO 70 N -0.02 3.99 0.15 10.12 0.04 -1.26 -4.96 135.00 143.06 1jfb s PRO 70 Ca 0.64 -2.15 -0.30 0.00 0.04 0.00 0.00 61.00 59.22 1jfb s PRO 70 Cb -0.45 -5.34 -0.08 0.00 0.04 0.00 0.00 34.50 28.68 1jfb s PRO 70 CO 0.42 -2.06 1.25 -1.21 0.04 0.00 0.00 177.00 175.43 1jfb s GLU 71 N 3.27 4.43 0.00 4.56 0.41 -1.26 -4.94 118.70 125.17 1jfb s GLU 71 Ca 0.49 1.92 0.22 0.00 -0.41 0.00 0.00 54.97 57.19 1jfb s GLU 71 Cb 0.01 -3.25 0.01 0.00 -1.78 0.00 0.00 34.13 29.12 1jfb s GLU 71 CO 0.04 -0.20 1.08 1.28 -0.49 0.00 0.00 175.26 176.96 1jfb n LEU 72 N 3.00 1.23 -3.82 1.80 4.77 -1.26 -4.69 117.00 118.02 1jfb n LEU 72 Ca 0.07 -0.49 -0.09 0.00 -0.03 0.00 0.00 56.01 55.47 1jfb n LEU 72 Cb 0.44 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 1jfb n LEU 72 CO 0.57 0.26 -0.01 -0.94 -1.33 0.00 0.00 177.39 175.94 1jfb s SER 73 N -2.81 0.01 0.28 -1.43 1.04 -1.26 -4.56 113.70 104.96 1jfb s SER 73 Ca 0.13 -0.62 -0.02 0.00 0.48 0.00 0.00 55.95 55.92 1jfb s SER 73 Cb 0.17 0.40 0.43 0.00 0.10 0.00 0.00 66.02 67.11 1jfb s SER 73 CO 0.74 -0.80 1.90 0.00 0.98 0.00 0.00 173.24 176.06 1jfb h ALA 74 N 2.60 1.42 -0.34 5.32 0.00 -1.99 -2.22 119.26 124.05 1jfb h ALA 74 Ca -0.33 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1jfb h ALA 74 Cb 1.22 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1jfb h ALA 74 CO 0.52 0.46 -0.06 0.66 0.00 0.00 0.00 179.25 180.82 1jfb h SER 75 N 1.16 0.52 -0.73 0.00 4.64 -2.00 -2.51 113.55 114.63 1jfb h SER 75 Ca 0.40 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.55 1jfb h SER 75 Cb 0.11 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 1jfb h SER 75 CO -0.14 0.64 0.25 1.23 -0.87 0.00 0.00 176.83 177.93 1jfb h GLY 76 N 0.90 1.20 1.09 -0.77 0.00 -1.81 -1.70 103.07 101.98 1jfb h GLY 76 Ca 0.10 -0.69 0.02 0.00 0.00 0.00 0.00 47.33 46.76 1jfb h GLY 76 CO 0.02 0.65 0.59 1.70 0.00 0.00 0.00 176.54 179.50 1jfb h LYS 77 N 1.07 1.16 -0.30 4.80 3.64 -1.26 -2.20 116.57 123.48 1jfb h LYS 77 Ca 0.24 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1jfb h LYS 77 Cb 0.27 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1jfb h LYS 77 CO -0.01 0.76 0.18 1.96 -2.27 0.00 0.00 179.45 180.07 1jfb h GLN 78 N 1.19 0.41 0.00 1.90 1.08 -1.03 -3.13 115.11 115.53 1jfb h GLN 78 Ca 0.34 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.46 1jfb h GLN 78 Cb -0.10 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.24 1jfb h GLN 78 CO -0.08 0.32 -0.16 0.00 -0.95 0.00 0.00 178.83 177.95 1jfb h ALA 79 N 1.07 1.62 0.00 3.87 0.00 -0.94 -2.40 119.26 122.47 1jfb h ALA 79 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jfb h ALA 79 Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1jfb h ALA 79 CO -0.02 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1jfb n ALA 80 N -2.46 1.62 0.19 0.00 0.00 -0.86 -2.74 120.51 116.27 1jfb n ALA 80 Ca -0.02 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.45 1jfb n ALA 80 Cb 0.24 -1.20 0.18 0.00 0.00 0.00 0.00 19.45 18.66 1jfb n ALA 80 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1jfb h LYS 81 N 0.00 0.00 -7.48 0.00 1.57 -1.57 -3.42 116.57 105.67 1jfb h LYS 81 Ca 0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 1jfb h LYS 81 Cb 0.18 0.00 0.10 0.00 0.08 0.00 0.00 32.23 32.59 1jfb h LYS 81 CO 0.00 0.21 0.36 0.00 -0.57 0.00 0.00 179.45 179.45 1jfb s ALA 82 N -3.19 2.40 0.11 3.86 0.00 -1.11 -4.97 121.76 118.87 1jfb s ALA 82 Ca 0.05 -0.37 -0.31 0.00 0.00 0.00 0.00 51.96 51.33 1jfb s ALA 82 Cb 0.07 -3.05 -0.09 0.00 0.00 0.00 0.00 23.12 20.04 1jfb s ALA 82 CO 0.69 -1.66 1.72 0.21 0.00 0.00 0.00 175.76 176.72 1jfb s LYS 83 N -5.30 4.17 0.56 0.00 2.20 -1.26 -4.93 119.74 115.18 1jfb s LYS 83 Ca 0.61 2.46 -0.17 0.00 -0.36 0.00 0.00 55.97 58.51 1jfb s LYS 83 Cb -0.13 -3.53 -0.05 0.00 -1.51 0.00 0.00 37.83 32.61 1jfb s LYS 83 CO 0.53 -0.77 1.05 -1.25 -0.36 0.00 0.00 175.35 174.55 1jfb s PRO 84 N 2.46 3.46 0.57 4.03 0.04 -1.26 -5.07 135.00 139.23 1jfb s PRO 84 Ca 0.76 1.22 0.08 0.00 0.04 0.00 0.00 61.00 63.10 1jfb s PRO 84 Cb -0.43 -2.05 0.07 0.00 0.04 0.00 0.00 34.50 32.12 1jfb s PRO 84 CO 0.34 -0.69 0.61 0.95 0.04 0.00 0.00 177.00 178.24 1jfb s THR 85 N -2.36 1.86 0.47 1.26 -4.23 -1.26 -5.01 115.64 106.37 1jfb s THR 85 Ca 0.64 -1.24 0.28 0.00 -1.18 0.00 0.00 61.69 60.18 1jfb s THR 85 Cb -0.16 -2.10 0.31 0.00 1.34 0.00 0.00 72.50 71.89 1jfb s THR 85 CO 0.33 0.00 2.13 2.19 -0.54 0.00 0.00 174.62 178.73 1jfb h PHE 86 N 0.44 0.00 -0.79 3.99 -5.15 -1.93 -1.31 116.94 112.19 1jfb h PHE 86 Ca -0.33 0.00 0.21 0.00 -0.20 0.00 0.00 57.97 57.65 1jfb h PHE 86 Cb 1.30 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 37.42 1jfb h PHE 86 CO 0.72 0.08 0.55 -0.24 -2.00 0.00 0.00 178.31 177.42 1jfb h VAL 87 N 0.00 0.66 -0.27 0.88 3.04 -1.95 -2.26 116.25 116.34 1jfb h VAL 87 Ca -0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 1jfb h VAL 87 Cb 0.22 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.00 1jfb h VAL 87 CO 0.01 0.03 0.00 0.47 -1.01 0.00 0.00 177.57 177.07 1jfb n ASP 88 N -4.38 3.75 -4.90 3.17 8.00 -0.50 -5.00 116.55 116.70 1jfb n ASP 88 Ca 0.16 -2.89 -0.27 0.00 0.71 0.00 0.00 54.79 52.49 1jfb n ASP 88 Cb 0.76 -0.50 -0.04 0.00 -0.02 0.00 0.00 41.12 41.31 1jfb n ASP 88 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1jfb s MET 89 N -2.60 3.29 0.43 -1.24 -1.94 -0.85 -3.70 119.30 112.69 1jfb s MET 89 Ca 0.40 -0.63 0.08 0.00 -1.71 0.00 0.00 55.69 53.83 1jfb s MET 89 Cb 0.31 -2.90 0.01 0.00 2.01 0.00 0.00 34.83 34.26 1jfb s MET 89 CO 0.10 0.54 0.55 -0.51 -0.01 0.00 0.00 175.02 175.68 1jfb s ASP 90 N -3.00 5.53 0.60 3.03 1.01 -1.26 -4.62 116.67 117.96 1jfb s ASP 90 Ca 0.34 -0.50 -0.19 0.00 0.71 0.00 0.00 52.55 52.91 1jfb s ASP 90 Cb -0.11 -0.59 -0.03 0.00 1.01 0.00 0.00 42.92 43.20 1jfb s ASP 90 CO 0.27 -0.78 1.27 -2.84 0.21 0.00 0.00 175.17 173.30 1jfb s PRO 91 N -4.33 2.88 0.00 8.23 0.02 -1.26 -1.15 135.00 139.39 1jfb s PRO 91 Ca 0.54 2.00 0.27 0.00 0.02 0.00 0.00 61.00 63.83 1jfb s PRO 91 Cb -0.09 -1.99 0.87 0.00 0.02 0.00 0.00 34.50 33.32 1jfb s PRO 91 CO 0.32 -1.32 1.65 -0.35 -0.33 0.00 0.00 177.00 176.97 1jfb n PRO 92 N -1.54 0.55 -0.22 5.54 -0.04 -1.26 -4.83 135.00 133.21 1jfb n PRO 92 Ca 0.14 -0.27 0.01 0.00 -0.04 0.00 0.00 63.50 63.33 1jfb n PRO 92 Cb 0.48 -1.49 0.25 0.00 -0.04 0.00 0.00 33.50 32.69 1jfb n PRO 92 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1jfb h GLU 93 N 0.66 0.99 0.09 0.54 3.07 -1.77 -2.55 114.58 115.60 1jfb h GLU 93 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1jfb h GLU 93 Cb 0.46 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 1jfb h GLU 93 CO 0.00 0.66 -0.27 1.25 -1.40 0.00 0.00 179.01 179.25 1jfb h HIS 94 N 1.02 -0.78 0.00 4.33 2.76 -1.39 -2.05 115.15 119.04 1jfb h HIS 94 Ca 0.27 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.38 1jfb h HIS 94 Cb -0.12 0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 1jfb h HIS 94 CO 0.00 -0.31 -0.39 1.98 -1.30 0.00 0.00 177.93 177.91 1jfb h MET 95 N -0.40 0.00 -0.67 5.26 1.85 -1.84 0.67 114.93 119.80 1jfb h MET 95 Ca -0.01 0.00 0.08 0.00 -0.61 0.00 0.00 59.70 59.16 1jfb h MET 95 Cb 0.40 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 32.36 1jfb h MET 95 CO -0.13 0.39 0.35 1.25 -0.40 0.00 0.00 176.91 178.36 1jfb h HIS 96 N 0.00 0.63 0.10 1.39 6.17 -1.19 -0.31 115.15 121.94 1jfb h HIS 96 Ca -0.00 0.03 -0.20 0.00 0.71 0.00 0.00 60.37 60.90 1jfb h HIS 96 Cb 0.98 -0.18 0.01 0.00 2.52 0.00 0.00 27.41 30.73 1jfb h HIS 96 CO 0.00 0.26 -0.97 0.37 0.71 0.00 0.00 177.93 178.30 1jfb h GLN 97 N 0.62 0.22 -0.81 5.26 4.15 -1.18 -3.36 115.11 120.01 1jfb h GLN 97 Ca 0.32 -0.37 0.04 0.00 0.77 0.00 0.00 58.65 59.40 1jfb h GLN 97 Cb 0.28 0.14 -0.05 0.00 0.21 0.00 0.00 27.48 28.07 1jfb h GLN 97 CO -0.23 1.18 0.53 -0.09 -1.93 0.00 0.00 178.83 178.29 1jfb h ARG 98 N -0.47 0.96 0.00 1.69 2.43 -0.81 -0.86 114.38 117.32 1jfb h ARG 98 Ca -0.20 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1jfb h ARG 98 Cb 1.58 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1jfb h ARG 98 CO 0.07 0.63 0.00 0.77 -1.51 0.00 0.00 179.97 179.93 1jfb h SER 99 N 0.98 0.00 0.08 -3.80 0.02 -1.21 -1.44 113.55 108.18 1jfb h SER 99 Ca 0.32 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.26 1jfb h SER 99 Cb 0.06 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 1jfb h SER 99 CO -0.10 0.00 -0.08 0.24 -1.14 0.00 0.00 176.83 175.75 1jfb h MET 100 N 0.00 0.00 0.00 3.45 2.86 -1.30 -3.25 114.93 116.70 1jfb h MET 100 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1jfb h MET 100 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1jfb h MET 100 CO 0.00 0.08 0.00 1.33 1.06 0.00 0.00 176.91 179.38 1jfb n VAL 101 N -4.42 0.00 -0.32 -2.22 0.24 -0.63 -4.77 118.33 106.21 1jfb n VAL 101 Ca -0.03 -0.48 0.04 0.00 -2.04 0.00 0.00 64.34 61.84 1jfb n VAL 101 Cb 0.16 1.04 0.19 0.00 -1.47 0.00 0.00 33.84 33.76 1jfb n VAL 101 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1jfb h GLU 102 N 0.00 0.87 -0.95 7.34 5.08 -1.37 -3.29 114.58 122.26 1jfb h GLU 102 Ca 0.00 -0.05 0.25 0.00 -1.00 0.00 0.00 59.36 58.56 1jfb h GLU 102 Cb 0.02 -0.20 -0.13 0.00 0.50 0.00 0.00 28.75 28.94 1jfb h GLU 102 CO 0.00 0.58 0.49 -1.35 -1.00 0.00 0.00 179.01 177.72 1jfb h PRO 103 N 0.90 0.43 0.00 2.33 0.11 -1.86 0.22 132.00 134.13 1jfb h PRO 103 Ca 0.44 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.52 1jfb h PRO 103 Cb 0.39 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 1jfb h PRO 103 CO -0.25 0.28 -0.03 1.15 -0.21 0.00 0.00 178.00 178.95 1jfb h THR 104 N 0.44 0.16 -0.08 -1.15 2.02 -1.97 -3.18 112.91 109.16 1jfb h THR 104 Ca 0.62 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.55 1jfb h THR 104 Cb 1.23 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 1jfb h THR 104 CO -0.53 0.03 0.00 0.49 0.37 0.00 0.00 175.52 175.87 1jfb n PHE 105 N -3.26 0.08 -0.98 3.16 3.01 0.77 -4.36 117.46 115.87 1jfb n PHE 105 Ca -0.02 -0.06 -0.31 0.00 1.01 0.00 0.00 57.45 58.07 1jfb n PHE 105 Cb 0.17 -0.00 0.13 0.00 -0.01 0.00 0.00 39.48 39.76 1jfb n PHE 105 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1jfb s THR 106 N -1.31 2.66 0.22 4.37 -4.23 -1.19 -4.63 115.64 111.53 1jfb s THR 106 Ca 0.21 0.22 -0.09 0.00 -1.18 0.00 0.00 61.69 60.85 1jfb s THR 106 Cb 0.14 -2.47 0.18 0.00 1.34 0.00 0.00 72.50 71.68 1jfb s THR 106 CO 0.21 -0.28 1.71 -0.65 -0.54 0.00 0.00 174.62 175.07 1jfb h PRO 107 N -1.48 0.29 -0.36 3.99 0.11 -1.95 -0.33 132.00 132.28 1jfb h PRO 107 Ca -0.43 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.55 1jfb h PRO 107 Cb 1.25 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1jfb h PRO 107 CO 0.46 0.19 -0.21 1.49 -0.21 0.00 0.00 178.00 179.72 1jfb h GLU 108 N 0.30 0.77 -0.99 1.05 4.57 -1.96 -0.79 114.58 117.53 1jfb h GLU 108 Ca 0.34 -0.35 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1jfb h GLU 108 Cb 0.50 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.03 1jfb h GLU 108 CO -0.41 0.98 0.65 0.00 -1.18 0.00 0.00 179.01 179.05 1jfb h ALA 109 N 0.78 1.26 -0.43 2.92 0.00 -1.70 -1.11 119.26 120.98 1jfb h ALA 109 Ca 0.08 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1jfb h ALA 109 Cb 0.76 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1jfb h ALA 109 CO 0.06 0.63 -0.26 0.28 0.00 0.00 0.00 179.25 179.96 1jfb h VAL 110 N 1.33 1.27 -0.75 0.00 2.07 -0.89 -0.82 116.25 118.46 1jfb h VAL 110 Ca 0.37 -1.42 0.07 0.00 0.82 0.00 0.00 66.70 66.53 1jfb h VAL 110 Cb -0.14 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 1jfb h VAL 110 CO -0.08 0.48 0.43 0.50 0.02 0.00 0.00 177.57 178.92 1jfb h LYS 111 N 0.77 0.76 0.00 1.57 3.64 -0.70 -1.88 116.57 120.72 1jfb h LYS 111 Ca 0.09 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1jfb h LYS 111 Cb 0.83 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1jfb h LYS 111 CO 0.07 0.50 0.00 -0.91 -2.27 0.00 0.00 179.45 176.84 1jfb h ASN 112 N 0.78 0.00 0.79 4.20 2.35 -0.76 -2.54 115.58 120.40 1jfb h ASN 112 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 1jfb h ASN 112 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1jfb h ASN 112 CO -0.20 0.00 -0.10 0.18 -1.65 0.00 0.00 177.43 175.66 1jfb n LEU 113 N -3.05 0.13 -0.20 1.61 4.77 -0.35 -4.37 117.00 115.54 1jfb n LEU 113 Ca 0.02 0.34 -0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1jfb n LEU 113 Cb 0.37 -0.40 0.11 0.00 -2.33 0.00 0.00 43.42 41.17 1jfb n LEU 113 CO 0.29 0.03 0.98 -0.61 -1.33 0.00 0.00 177.39 176.75 1jfb h GLN 114 N 0.06 0.38 -0.89 3.23 5.75 -1.01 -0.82 115.11 121.81 1jfb h GLN 114 Ca 0.00 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.50 1jfb h GLN 114 Cb 0.46 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.88 1jfb h GLN 114 CO 0.00 0.25 0.59 -1.35 -2.65 0.00 0.00 178.83 175.67 1jfb h PRO 115 N 0.39 1.13 -0.41 -2.39 0.11 -1.82 -0.05 132.00 128.96 1jfb h PRO 115 Ca 0.30 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.30 1jfb h PRO 115 Cb 0.38 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 1jfb h PRO 115 CO -0.31 0.75 0.06 -0.92 -0.21 0.00 0.00 178.00 177.36 1jfb h TYR 116 N 1.16 0.73 -0.43 0.65 5.03 -1.50 -0.80 116.97 121.81 1jfb h TYR 116 Ca 0.34 -0.11 0.01 0.00 2.58 0.00 0.00 58.73 61.55 1jfb h TYR 116 Cb -0.06 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.00 1jfb h TYR 116 CO -0.00 0.72 0.27 0.82 -1.32 0.00 0.00 178.16 178.65 1jfb h ILE 117 N 0.53 1.09 -0.48 1.81 2.04 -0.66 -1.11 117.51 120.73 1jfb h ILE 117 Ca 0.12 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1jfb h ILE 117 Cb 0.39 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1jfb h ILE 117 CO 0.01 0.10 0.31 -0.61 0.00 0.00 0.00 178.15 177.96 1jfb h GLN 118 N 0.56 0.61 -0.79 2.37 5.75 -0.91 -1.54 115.11 121.16 1jfb h GLN 118 Ca 0.16 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.59 1jfb h GLN 118 Cb -0.04 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.34 1jfb h GLN 118 CO -0.05 0.40 0.35 -0.09 -2.65 0.00 0.00 178.83 176.79 1jfb h ARG 119 N 0.63 1.15 -0.28 1.69 2.43 -0.85 0.93 114.38 120.09 1jfb h ARG 119 Ca 0.18 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1jfb h ARG 119 Cb -0.05 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 1jfb h ARG 119 CO -0.05 0.91 0.10 1.15 -1.51 0.00 0.00 179.97 180.56 1jfb h THR 120 N 1.13 1.19 -0.25 0.20 2.02 -0.84 0.20 112.91 116.55 1jfb h THR 120 Ca 0.27 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 1jfb h THR 120 Cb 0.16 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1jfb h THR 120 CO -0.03 0.19 0.15 0.58 0.37 0.00 0.00 175.52 176.78 1jfb h VAL 121 N 0.29 1.10 -0.60 3.16 2.07 -1.07 -2.35 116.25 118.86 1jfb h VAL 121 Ca 0.09 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.40 1jfb h VAL 121 Cb 0.21 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1jfb h VAL 121 CO -0.01 0.10 0.34 0.44 0.02 0.00 0.00 177.57 178.47 1jfb h ASP 122 N 0.31 0.54 -0.43 0.57 3.45 -0.60 -1.10 116.42 119.15 1jfb h ASP 122 Ca 0.09 0.02 -0.08 0.00 0.43 0.00 0.00 57.03 57.49 1jfb h ASP 122 Cb 0.03 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 38.69 1jfb h ASP 122 CO -0.02 0.37 -0.03 0.44 -1.57 0.00 0.00 179.24 178.43 1jfb h ASP 123 N 0.66 0.78 -0.20 6.45 3.45 -0.84 -0.38 116.42 126.34 1jfb h ASP 123 Ca 0.25 -0.32 -0.11 0.00 0.43 0.00 0.00 57.03 57.28 1jfb h ASP 123 Cb 0.09 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.64 1jfb h ASP 123 CO -0.13 0.91 -0.26 -0.07 -1.57 0.00 0.00 179.24 178.12 1jfb h LEU 124 N 0.62 0.69 -0.67 1.55 3.38 -1.15 -1.45 115.31 118.29 1jfb h LEU 124 Ca 0.12 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 1jfb h LEU 124 Cb 0.53 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1jfb h LEU 124 CO 0.03 0.92 0.14 -0.07 0.09 0.00 0.00 178.44 179.56 1jfb h LEU 125 N 0.59 1.04 -0.73 1.67 3.38 -0.99 -2.58 115.31 117.69 1jfb h LEU 125 Ca 0.08 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 1jfb h LEU 125 Cb 0.75 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1jfb h LEU 125 CO 0.06 1.01 -0.14 -0.08 0.09 0.00 0.00 178.44 179.38 1jfb h GLU 126 N 1.01 0.82 0.00 1.13 4.57 -0.78 -0.37 114.58 120.97 1jfb h GLU 126 Ca 0.21 -0.30 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1jfb h GLU 126 Cb 0.39 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1jfb h GLU 126 CO 0.01 0.92 0.00 1.96 -1.18 0.00 0.00 179.01 180.71 1jfb h GLN 127 N 0.73 0.00 -0.01 1.92 1.08 -1.10 -0.05 115.11 117.69 1jfb h GLN 127 Ca 0.12 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.31 1jfb h GLN 127 Cb 0.65 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.08 1jfb h GLN 127 CO 0.05 0.00 -0.02 0.52 -0.95 0.00 0.00 178.83 178.43 1jfb h MET 128 N 0.00 0.03 -0.53 1.46 2.86 -1.00 -2.81 114.93 114.94 1jfb h MET 128 Ca 0.00 -0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.68 1jfb h MET 128 Cb 0.40 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.01 1jfb h MET 128 CO 0.00 0.55 0.25 -0.22 1.06 0.00 0.00 176.91 178.54 1jfb h LYS 129 N -0.48 0.46 -0.54 1.72 3.64 -0.56 0.53 116.57 121.34 1jfb h LYS 129 Ca 0.00 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 1jfb h LYS 129 Cb 0.54 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1jfb h LYS 129 CO 0.00 0.30 0.07 1.96 -2.27 0.00 0.00 179.45 179.52 1jfb h GLN 130 N 0.47 0.90 -0.62 1.90 4.20 -1.14 -2.52 115.11 118.30 1jfb h GLN 130 Ca 0.24 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1jfb h GLN 130 Cb 0.20 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1jfb h GLN 130 CO -0.20 0.88 0.28 -0.22 -0.67 0.00 0.00 178.83 178.91 1jfb h LYS 131 N 0.78 0.89 0.00 1.46 3.64 -1.08 -3.49 116.57 118.78 1jfb h LYS 131 Ca 0.16 -0.12 0.19 0.00 -1.27 0.00 0.00 60.65 59.61 1jfb h LYS 131 Cb 0.43 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 1jfb h LYS 131 CO 0.01 0.70 -0.26 0.41 -2.27 0.00 0.00 179.45 178.05 1jfb n GLY 132 N -1.10 -1.66 1.43 5.01 0.00 0.18 -4.75 105.19 104.31 1jfb n GLY 132 Ca 0.06 -1.17 0.04 0.00 0.00 0.00 0.00 46.02 44.94 1jfb n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jfb h ALA 134 N 1.13 1.35 -0.49 0.00 0.00 -1.96 -1.85 119.26 117.43 1jfb h ALA 134 Ca -0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1jfb h ALA 134 Cb 1.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1jfb h ALA 134 CO 0.10 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.52 1jfb n ASN 135 N -3.67 3.47 0.00 0.00 5.03 -1.26 -5.06 115.26 113.77 1jfb n ASN 135 Ca -0.02 -1.96 0.00 0.00 0.87 0.00 0.00 54.58 53.46 1jfb n ASN 135 Cb 0.17 -0.32 0.00 0.00 -1.02 0.00 0.00 39.78 38.61 1jfb n ASN 135 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jfb n GLY 136 N 1.32 0.66 3.71 7.41 0.00 -0.70 -5.10 105.19 112.49 1jfb n GLY 136 Ca 0.19 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.69 1jfb n GLY 136 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1jfb s PRO 137 N -0.78 1.63 0.29 1.61 0.02 -1.26 -4.54 135.00 131.97 1jfb s PRO 137 Ca 0.00 1.53 0.11 0.00 0.02 0.00 0.00 61.00 62.66 1jfb s PRO 137 Cb 0.00 -1.80 -0.05 0.00 0.02 0.00 0.00 34.50 32.67 1jfb s PRO 137 CO 0.00 -2.17 -0.16 0.14 -0.33 0.00 0.00 177.00 174.48 1jfb s VAL 138 N -2.51 2.31 -0.44 3.83 -7.23 -0.48 -4.88 120.40 111.00 1jfb s VAL 138 Ca 0.68 -2.33 -0.23 0.00 -1.81 0.00 0.00 61.98 58.29 1jfb s VAL 138 Cb -0.23 -2.36 0.02 0.00 0.56 0.00 0.00 36.38 34.37 1jfb s VAL 138 CO 0.53 -0.37 0.76 -0.62 -0.31 0.00 0.00 175.10 175.09 1jfb s ASP 139 N -3.51 6.41 0.54 4.85 3.68 -1.26 -0.42 116.67 126.95 1jfb s ASP 139 Ca 0.30 -0.11 0.20 0.00 2.13 0.00 0.00 52.55 55.06 1jfb s ASP 139 Cb -0.02 -2.37 1.40 0.00 -1.45 0.00 0.00 42.92 40.47 1jfb s ASP 139 CO 0.14 -0.87 2.16 0.25 0.13 0.00 0.00 175.17 176.99 1jfb h LEU 140 N 10.01 0.00 0.72 -1.34 5.85 -1.36 -1.09 115.31 128.10 1jfb h LEU 140 Ca -0.25 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 1jfb h LEU 140 Cb 1.09 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.13 1jfb h LEU 140 CO 0.94 0.00 -0.35 0.58 -0.34 0.00 0.00 178.44 179.27 1jfb h VAL 141 N 0.00 0.00 -0.87 1.05 2.07 -1.91 -0.46 116.25 116.14 1jfb h VAL 141 Ca 0.02 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1jfb h VAL 141 Cb 0.07 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.78 1jfb h VAL 141 CO -0.00 0.00 0.55 0.50 0.02 0.00 0.00 177.57 178.64 1jfb h LYS 142 N -1.10 1.00 0.00 1.57 3.64 -1.85 0.37 116.57 120.20 1jfb h LYS 142 Ca -0.10 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1jfb h LYS 142 Cb 0.74 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1jfb h LYS 142 CO 0.16 0.66 -0.19 0.93 -2.27 0.00 0.00 179.45 178.75 1jfb h GLU 143 N 1.03 0.00 0.00 1.90 4.39 -1.23 -3.41 114.58 117.26 1jfb h GLU 143 Ca 0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.06 1jfb h GLU 143 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1jfb h GLU 143 CO -0.15 0.00 0.00 0.34 -1.16 0.00 0.00 179.01 178.04 1jfb n PHE 144 N -2.32 -3.76 0.05 4.33 7.35 -0.59 -4.82 117.46 117.71 1jfb n PHE 144 Ca 0.05 1.10 0.01 0.00 -0.76 0.00 0.00 57.45 57.84 1jfb n PHE 144 Cb 0.45 2.49 0.34 0.00 0.35 0.00 0.00 39.48 43.10 1jfb n PHE 144 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1jfb h ALA 145 N 0.00 1.43 0.12 3.13 0.00 -0.85 -1.97 119.26 121.11 1jfb h ALA 145 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1jfb h ALA 145 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1jfb h ALA 145 CO 0.00 0.40 -0.06 1.25 0.00 0.00 0.00 179.25 180.84 1jfb h LEU 146 N 0.38 -0.13 -1.15 0.00 5.85 -1.16 -3.37 115.31 115.73 1jfb h LEU 146 Ca 0.08 -0.43 -0.08 0.00 0.84 0.00 0.00 57.88 58.30 1jfb h LEU 146 Cb 0.35 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1jfb h LEU 146 CO 0.02 0.47 -0.37 1.55 -0.34 0.00 0.00 178.44 179.76 1jfb h PRO 147 N -0.85 0.00 0.66 5.25 0.13 -1.75 -2.97 132.00 132.47 1jfb h PRO 147 Ca -0.02 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.09 1jfb h PRO 147 Cb 0.55 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 1jfb h PRO 147 CO 0.03 0.37 -0.49 0.28 -0.23 0.00 0.00 178.00 177.96 1jfb h VAL 148 N 0.00 0.00 -0.33 1.56 2.07 -1.52 0.98 116.25 119.01 1jfb h VAL 148 Ca -0.00 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 1jfb h VAL 148 Cb 0.77 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1jfb h VAL 148 CO 0.05 0.00 -0.23 1.55 0.02 0.00 0.00 177.57 178.95 1jfb h PRO 149 N -1.11 0.64 -0.19 1.57 0.13 -1.74 -2.80 132.00 128.50 1jfb h PRO 149 Ca -0.09 -0.25 -0.02 0.00 -0.87 0.00 0.00 66.00 64.77 1jfb h PRO 149 Cb 0.91 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 1jfb h PRO 149 CO 0.03 0.82 0.03 0.77 -0.23 0.00 0.00 178.00 179.43 1jfb h SER 150 N 0.56 0.30 -0.75 1.44 0.02 -1.34 -0.95 113.55 112.84 1jfb h SER 150 Ca 0.08 -0.26 -0.05 0.00 -0.84 0.00 0.00 61.79 60.72 1jfb h SER 150 Cb 0.70 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 1jfb h SER 150 CO 0.05 0.49 0.29 1.88 -1.14 0.00 0.00 176.83 178.40 1jfb h TYR 151 N 0.11 1.16 0.24 3.45 -1.99 -0.81 -0.91 116.97 118.22 1jfb h TYR 151 Ca 0.06 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.69 1jfb h TYR 151 Cb 0.31 -0.35 0.00 0.00 2.00 0.00 0.00 36.73 38.70 1jfb h TYR 151 CO 0.02 0.88 -0.12 0.82 -0.00 0.00 0.00 178.16 179.77 1jfb h ILE 152 N 1.11 0.82 -0.32 -2.88 2.04 -1.28 -0.86 117.51 116.13 1jfb h ILE 152 Ca 0.25 -0.46 -0.13 0.00 1.00 0.00 0.00 64.86 65.52 1jfb h ILE 152 Cb 0.22 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1jfb h ILE 152 CO -0.02 0.10 -0.34 -0.29 0.00 0.00 0.00 178.15 177.60 1jfb h ILE 153 N -0.57 1.28 -0.65 -0.67 6.09 -1.07 -0.37 117.51 121.56 1jfb h ILE 153 Ca -0.03 -1.50 -0.01 0.00 -1.37 0.00 0.00 64.86 61.95 1jfb h ILE 153 Cb 0.41 1.41 -0.03 0.00 0.47 0.00 0.00 36.82 39.08 1jfb h ILE 153 CO 0.06 0.49 0.38 1.88 -3.07 0.00 0.00 178.15 177.88 1jfb h TYR 154 N 0.60 0.86 -0.37 2.19 0.05 -1.19 -0.53 116.97 118.59 1jfb h TYR 154 Ca 0.06 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 1jfb h TYR 154 Cb 0.87 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 38.31 1jfb h TYR 154 CO 0.04 0.60 0.15 1.15 -1.05 0.00 0.00 178.16 179.06 1jfb h THR 155 N 0.88 1.19 -0.61 -2.88 2.02 -0.81 -0.54 112.91 112.15 1jfb h THR 155 Ca 0.23 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1jfb h THR 155 Cb 0.00 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 1jfb h THR 155 CO -0.04 0.21 0.30 -0.07 0.37 0.00 0.00 175.52 176.29 1jfb h LEU 156 N 0.45 0.77 -0.74 2.58 3.38 -0.79 -2.51 115.31 118.45 1jfb h LEU 156 Ca 0.12 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1jfb h LEU 156 Cb 0.18 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1jfb h LEU 156 CO -0.01 0.65 -0.14 -0.07 0.09 0.00 0.00 178.44 178.96 1jfb h LEU 157 N 0.86 0.81 0.00 1.67 3.38 -0.79 -0.93 115.31 120.32 1jfb h LEU 157 Ca 0.22 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1jfb h LEU 157 Cb 0.07 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1jfb h LEU 157 CO -0.03 0.96 0.00 0.61 0.09 0.00 0.00 178.44 180.07 1jfb n GLY 158 N -0.36 0.17 3.73 0.83 0.00 -0.51 -1.90 105.19 107.14 1jfb n GLY 158 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1jfb n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jfb s VAL 159 N -0.94 3.03 0.58 1.61 1.01 -0.33 -4.99 120.40 120.36 1jfb s VAL 159 Ca 0.00 0.79 -0.16 0.00 0.00 0.00 0.00 61.98 62.62 1jfb s VAL 159 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1jfb s VAL 159 CO 0.00 0.09 1.04 -2.16 0.00 0.00 0.00 175.10 174.07 1jfb s PRO 160 N 0.42 3.46 0.28 2.72 0.04 -1.26 -4.48 135.00 136.18 1jfb s PRO 160 Ca 0.62 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.81 1jfb s PRO 160 Cb -0.39 -2.06 0.59 0.00 0.04 0.00 0.00 34.50 32.68 1jfb s PRO 160 CO 0.36 -0.69 1.80 0.35 0.04 0.00 0.00 177.00 178.86 1jfb h PHE 161 N 0.50 1.04 -0.56 0.56 3.04 -1.99 -1.12 116.94 118.42 1jfb h PHE 161 Ca -0.47 0.03 0.09 0.00 3.98 0.00 0.00 57.97 61.60 1jfb h PHE 161 Cb 1.21 -0.32 -0.03 0.00 2.56 0.00 0.00 35.95 39.37 1jfb h PHE 161 CO 0.60 0.34 0.37 -0.97 -2.02 0.00 0.00 178.31 176.63 1jfb h ASN 162 N 0.85 0.36 0.15 0.41 -0.73 -2.04 -2.47 115.58 112.12 1jfb h ASN 162 Ca 0.51 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.68 1jfb h ASN 162 Cb 0.62 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.14 1jfb h ASN 162 CO -0.31 0.22 -0.17 0.47 -0.37 0.00 0.00 177.43 177.27 1jfb n ASP 163 N -4.47 1.21 -0.16 1.15 8.00 -0.43 -4.37 116.55 117.49 1jfb n ASP 163 Ca 0.09 -1.11 -0.09 0.00 0.71 0.00 0.00 54.79 54.39 1jfb n ASP 163 Cb 0.33 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 1jfb n ASP 163 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1jfb h LEU 164 N 1.63 0.65 -0.33 0.64 3.38 -1.47 -2.30 115.31 117.50 1jfb h LEU 164 Ca 0.00 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.81 1jfb h LEU 164 Cb 0.51 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1jfb h LEU 164 CO 0.00 0.65 0.18 -0.33 0.09 0.00 0.00 178.44 179.03 1jfb h GLU 165 N 0.60 0.36 -0.13 1.13 5.08 -1.80 0.11 114.58 119.93 1jfb h GLU 165 Ca 0.15 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1jfb h GLU 165 Cb 0.21 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1jfb h GLU 165 CO -0.01 0.24 -0.17 -0.92 -1.00 0.00 0.00 179.01 177.15 1jfb h TYR 166 N 0.37 0.43 0.00 4.33 3.20 -1.85 -2.85 116.97 120.60 1jfb h TYR 166 Ca 0.14 -0.14 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 1jfb h TYR 166 Cb 0.02 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 1jfb h TYR 166 CO -0.09 0.78 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.75 1jfb h LEU 167 N -0.04 0.00 -0.34 2.82 3.38 -1.31 -0.80 115.31 119.02 1jfb h LEU 167 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1jfb h LEU 167 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1jfb h LEU 167 CO 0.04 0.40 0.13 0.74 0.09 0.00 0.00 178.44 179.83 1jfb h THR 168 N 0.00 1.19 -0.54 0.22 2.02 -0.98 -1.08 112.91 113.75 1jfb h THR 168 Ca -0.00 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 1jfb h THR 168 Cb 0.73 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 1jfb h THR 168 CO 0.05 0.21 0.31 -0.61 0.37 0.00 0.00 175.52 175.85 1jfb h GLN 169 N 0.39 0.74 -0.49 6.66 4.15 -1.18 -2.06 115.11 123.32 1jfb h GLN 169 Ca 0.11 -0.08 -0.11 0.00 0.77 0.00 0.00 58.65 59.34 1jfb h GLN 169 Cb 0.20 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 1jfb h GLN 169 CO -0.01 0.56 -0.14 1.96 -1.93 0.00 0.00 178.83 179.27 1jfb h GLN 170 N 0.72 0.96 -0.37 1.69 1.08 -0.96 -1.92 115.11 116.32 1jfb h GLN 170 Ca 0.19 -0.38 -0.05 0.00 -1.45 0.00 0.00 58.65 56.97 1jfb h GLN 170 Cb 0.02 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 1jfb h GLN 170 CO -0.03 1.05 0.03 -0.97 -0.95 0.00 0.00 178.83 177.95 1jfb h ASN 171 N 0.82 0.52 -0.50 1.46 -1.24 -1.14 -2.22 115.58 113.28 1jfb h ASN 171 Ca 0.12 -0.09 -0.04 0.00 0.71 0.00 0.00 56.30 57.00 1jfb h ASN 171 Cb 0.70 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.59 1jfb h ASN 171 CO 0.05 0.57 0.17 0.00 -1.29 0.00 0.00 177.43 176.94 1jfb h ALA 172 N 1.50 1.27 -0.11 1.57 0.00 -0.96 -2.34 119.26 120.18 1jfb h ALA 172 Ca 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1jfb h ALA 172 Cb 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1jfb h ALA 172 CO 0.01 0.52 0.02 0.82 0.00 0.00 0.00 179.25 180.62 1jfb h ILE 173 N 0.80 1.06 -0.99 0.00 2.04 -0.73 0.46 117.51 120.16 1jfb h ILE 173 Ca 0.18 -0.22 0.14 0.00 1.00 0.00 0.00 64.86 65.97 1jfb h ILE 173 Cb 0.24 0.95 -0.09 0.00 -0.74 0.00 0.00 36.82 37.18 1jfb h ILE 173 CO -0.01 0.07 0.62 0.03 0.00 0.00 0.00 178.15 178.87 1jfb h ARG 174 N 0.16 0.87 -0.00 2.37 3.08 -1.24 -3.19 114.38 116.42 1jfb h ARG 174 Ca 0.04 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1jfb h ARG 174 Cb 0.07 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.92 1jfb h ARG 174 CO -0.00 0.57 -0.18 0.25 -1.07 0.00 0.00 179.97 179.54 1jfb n THR 175 N -4.64 0.00 -1.74 2.04 -2.24 -0.73 -4.82 114.28 102.15 1jfb n THR 175 Ca 0.20 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 1jfb n THR 175 Cb 0.42 1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 69.71 1jfb n THR 175 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1jfb n ASN 176 N -0.41 3.97 0.18 3.42 5.03 0.08 -4.86 115.26 122.67 1jfb n ASN 176 Ca 0.03 1.11 0.14 0.00 0.87 0.00 0.00 54.58 56.74 1jfb n ASN 176 Cb 0.15 -1.59 0.73 0.00 -1.02 0.00 0.00 39.78 38.05 1jfb n ASN 176 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1jfb h GLY 177 N 5.58 0.00 1.20 7.41 0.00 -1.91 -2.46 103.07 112.88 1jfb h GLY 177 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1jfb h GLY 177 CO 0.86 0.00 -0.18 -1.14 0.00 0.00 0.00 176.54 176.07 1jfb n SER 178 N -4.22 0.37 -4.77 0.19 3.41 -1.26 -4.87 113.62 102.47 1jfb n SER 178 Ca 0.01 -0.22 -0.40 0.00 -0.26 0.00 0.00 58.87 58.01 1jfb n SER 178 Cb 0.28 -0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 64.12 1jfb n SER 178 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1jfb s SER 179 N -2.75 6.49 0.85 4.04 0.01 -0.93 -5.03 113.70 116.38 1jfb s SER 179 Ca 0.20 2.60 -0.12 0.00 1.31 0.00 0.00 55.95 59.94 1jfb s SER 179 Cb 0.19 -2.64 0.10 0.00 0.21 0.00 0.00 66.02 63.89 1jfb s SER 179 CO 0.55 -0.72 1.10 0.42 0.41 0.00 0.00 173.24 175.00 1jfb s THR 180 N -1.25 2.73 0.23 1.44 -4.23 -1.26 -4.84 115.64 108.45 1jfb s THR 180 Ca 0.55 0.24 -0.07 0.00 -1.18 0.00 0.00 61.69 61.22 1jfb s THR 180 Cb -0.37 -2.92 0.19 0.00 1.34 0.00 0.00 72.50 70.74 1jfb s THR 180 CO 0.48 -0.31 1.85 0.00 -0.54 0.00 0.00 174.62 176.10 1jfb h ALA 181 N -1.30 1.08 -0.42 3.99 0.00 -1.99 -0.63 119.26 119.99 1jfb h ALA 181 Ca -0.49 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1jfb h ALA 181 Cb 1.29 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1jfb h ALA 181 CO 0.59 0.27 0.15 0.00 0.00 0.00 0.00 179.25 180.26 1jfb h ARG 182 N 0.94 0.63 -0.52 0.00 3.08 -1.99 -0.79 114.38 115.73 1jfb h ARG 182 Ca 0.34 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 1jfb h ARG 182 Cb 0.10 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1jfb h ARG 182 CO -0.15 0.60 0.26 0.93 -1.07 0.00 0.00 179.97 180.55 1jfb h GLU 183 N 0.53 0.74 -0.52 0.04 5.08 -1.79 -0.14 114.58 118.53 1jfb h GLU 183 Ca 0.14 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1jfb h GLU 183 Cb 0.22 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1jfb h GLU 183 CO -0.01 0.61 0.13 0.00 -1.00 0.00 0.00 179.01 178.74 1jfb h ALA 184 N 1.10 0.68 -0.47 3.43 0.00 -0.97 -1.42 119.26 121.61 1jfb h ALA 184 Ca 0.18 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1jfb h ALA 184 Cb 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1jfb h ALA 184 CO -0.02 0.37 0.13 0.77 0.00 0.00 0.00 179.25 180.50 1jfb h SER 185 N 0.72 0.69 -0.69 0.00 0.02 -0.97 -0.89 113.55 112.44 1jfb h SER 185 Ca 0.16 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 60.82 1jfb h SER 185 Cb 0.33 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 1jfb h SER 185 CO 0.00 0.73 0.14 0.00 -1.14 0.00 0.00 176.83 176.55 1jfb h ALA 186 N 0.99 0.91 -0.59 3.77 0.00 -0.92 -1.28 119.26 122.14 1jfb h ALA 186 Ca 0.15 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1jfb h ALA 186 Cb 0.29 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1jfb h ALA 186 CO -0.00 0.66 0.09 0.00 0.00 0.00 0.00 179.25 180.00 1jfb h ALA 187 N 1.07 0.79 -0.44 0.00 0.00 -1.00 0.01 119.26 119.69 1jfb h ALA 187 Ca 0.21 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1jfb h ALA 187 Cb 0.41 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1jfb h ALA 187 CO 0.01 0.54 0.19 -0.97 0.00 0.00 0.00 179.25 179.03 1jfb h ASN 188 N 0.89 0.26 0.94 0.00 -0.73 -0.87 -1.30 115.58 114.77 1jfb h ASN 188 Ca 0.18 0.03 -0.15 0.00 1.87 0.00 0.00 56.30 58.23 1jfb h ASN 188 Cb 0.43 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.98 1jfb h ASN 188 CO 0.01 0.19 -0.72 -0.61 -0.37 0.00 0.00 177.43 175.93 1jfb h GLN 189 N 0.39 0.00 -0.56 6.67 5.75 -0.97 -2.09 115.11 124.29 1jfb h GLN 189 Ca 0.19 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.69 1jfb h GLN 189 Cb 0.14 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 1jfb h GLN 189 CO -0.16 0.72 0.33 1.49 -2.65 0.00 0.00 178.83 178.56 1jfb h GLU 190 N 0.00 0.78 -0.42 1.69 4.81 -0.61 -0.17 114.58 120.66 1jfb h GLU 190 Ca -0.01 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.05 1jfb h GLU 190 Cb 1.38 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1jfb h GLU 190 CO 0.09 0.57 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.78 1jfb h LEU 191 N 0.76 0.81 -0.90 1.64 3.38 -1.04 -1.41 115.31 118.54 1jfb h LEU 191 Ca 0.20 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1jfb h LEU 191 Cb 0.01 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 1jfb h LEU 191 CO -0.04 0.98 0.59 -0.07 0.09 0.00 0.00 178.44 179.99 1jfb h LEU 192 N 0.62 0.99 -0.68 1.67 3.38 -1.18 -0.57 115.31 119.55 1jfb h LEU 192 Ca 0.11 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1jfb h LEU 192 Cb 0.62 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1jfb h LEU 192 CO 0.04 0.69 -0.05 0.44 0.09 0.00 0.00 178.44 179.65 1jfb h ASP 193 N 1.16 0.96 0.17 -0.43 3.32 -0.75 -0.96 116.42 119.89 1jfb h ASP 193 Ca 0.35 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1jfb h ASP 193 Cb -0.03 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.26 1jfb h ASP 193 CO -0.11 1.04 -0.08 0.22 -1.72 0.00 0.00 179.24 178.60 1jfb h TYR 194 N 0.88 -0.21 -0.61 4.55 3.20 -0.97 -2.57 116.97 121.25 1jfb h TYR 194 Ca 0.15 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1jfb h TYR 194 Cb 0.59 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 1jfb h TYR 194 CO 0.04 -0.10 0.39 -0.07 -1.64 0.00 0.00 178.16 176.78 1jfb h LEU 195 N -0.25 0.71 -0.97 2.82 3.38 -0.95 -1.80 115.31 118.25 1jfb h LEU 195 Ca -0.02 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1jfb h LEU 195 Cb 0.20 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1jfb h LEU 195 CO 0.04 0.53 0.40 0.00 0.09 0.00 0.00 178.44 179.50 1jfb h ALA 196 N 1.60 1.20 -0.58 1.53 0.00 -0.92 -0.37 119.26 121.72 1jfb h ALA 196 Ca 0.22 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1jfb h ALA 196 Cb -0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 1jfb h ALA 196 CO -0.05 0.62 0.07 0.82 0.00 0.00 0.00 179.25 180.72 1jfb h ILE 197 N 1.13 1.26 -0.75 0.00 2.04 -0.99 -1.67 117.51 118.53 1jfb h ILE 197 Ca 0.28 -1.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 1jfb h ILE 197 Cb 0.09 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1jfb h ILE 197 CO -0.04 0.37 0.34 -0.07 0.00 0.00 0.00 178.15 178.75 1jfb h LEU 198 N 0.87 1.01 -0.54 1.44 3.38 -0.89 -0.90 115.31 119.67 1jfb h LEU 198 Ca 0.17 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1jfb h LEU 198 Cb 0.45 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1jfb h LEU 198 CO 0.02 0.88 0.34 0.58 0.09 0.00 0.00 178.44 180.35 1jfb h VAL 199 N 1.07 1.15 -0.86 1.22 2.07 -0.89 0.48 116.25 120.49 1jfb h VAL 199 Ca 0.26 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1jfb h VAL 199 Cb 0.16 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 1jfb h VAL 199 CO -0.03 0.15 0.55 -0.33 0.02 0.00 0.00 177.57 177.93 1jfb h GLU 200 N 0.73 1.04 -0.25 1.57 4.39 -0.66 -0.94 114.58 120.45 1jfb h GLU 200 Ca 0.20 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.76 1jfb h GLU 200 Cb -0.06 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.35 1jfb h GLU 200 CO -0.04 0.69 -0.14 1.96 -1.16 0.00 0.00 179.01 180.32 1jfb h GLN 201 N 1.07 0.54 0.00 2.33 4.20 -0.70 -2.98 115.11 119.56 1jfb h GLN 201 Ca 0.34 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1jfb h GLN 201 Cb 0.02 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1jfb h GLN 201 CO -0.12 0.81 -0.09 0.00 -0.67 0.00 0.00 178.83 178.75 1jfb h ARG 202 N 0.27 0.00 -0.25 1.46 2.47 -0.72 -0.39 114.38 117.21 1jfb h ARG 202 Ca 0.05 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.64 1jfb h ARG 202 Cb 0.65 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 1jfb h ARG 202 CO 0.04 0.09 -0.41 1.25 0.56 0.00 0.00 179.97 181.50 1jfb h LEU 203 N 0.00 0.65 0.01 3.04 5.85 -1.09 -2.23 115.31 121.55 1jfb h LEU 203 Ca -0.00 -0.30 -0.23 0.00 0.84 0.00 0.00 57.88 58.20 1jfb h LEU 203 Cb 0.75 -0.18 0.02 0.00 0.37 0.00 0.00 40.66 41.62 1jfb h LEU 203 CO 0.01 0.99 -0.89 0.58 -0.34 0.00 0.00 178.44 178.79 1jfb h VAL 204 N 0.50 1.34 -2.51 1.05 2.07 -1.30 -3.43 116.25 113.98 1jfb h VAL 204 Ca 0.04 -2.21 -0.58 0.00 0.82 0.00 0.00 66.70 64.77 1jfb h VAL 204 Cb 0.93 2.51 -0.39 0.00 -1.52 0.00 0.00 31.29 32.83 1jfb h VAL 204 CO 0.08 0.67 -0.90 -0.70 0.02 0.00 0.00 177.57 176.75 1jfb s GLU 205 N -3.22 0.69 0.58 1.57 2.12 -0.20 -5.13 118.70 115.11 1jfb s GLU 205 Ca -0.11 -1.63 -0.19 0.00 0.36 0.00 0.00 54.97 53.40 1jfb s GLU 205 Cb 0.05 -1.36 -0.04 0.00 0.26 0.00 0.00 34.13 33.04 1jfb s GLU 205 CO 0.88 -1.28 1.20 -1.25 -0.54 0.00 0.00 175.26 174.28 1jfb s PRO 206 N 0.68 3.07 0.47 4.30 0.04 -0.84 -4.33 135.00 138.39 1jfb s PRO 206 Ca 0.24 1.80 0.02 0.00 0.04 0.00 0.00 61.00 63.10 1jfb s PRO 206 Cb -0.13 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 1jfb s PRO 206 CO -0.07 -1.12 0.07 0.15 0.04 0.00 0.00 177.00 176.06 1jfb s LYS 207 N -3.29 2.09 -1.07 4.56 1.02 -1.26 -5.07 119.74 116.72 1jfb s LYS 207 Ca 0.76 -2.31 -0.12 0.00 0.02 0.00 0.00 55.97 54.32 1jfb s LYS 207 Cb -0.30 -1.08 0.23 0.00 -0.52 0.00 0.00 37.83 36.17 1jfb s LYS 207 CO 0.32 -0.43 1.12 0.34 -0.92 0.00 0.00 175.35 175.78 1jfb s ASP 208 N -3.76 7.11 0.23 2.83 3.68 -1.26 -4.64 116.67 120.87 1jfb s ASP 208 Ca 0.13 -3.18 -0.07 0.00 2.13 0.00 0.00 52.55 51.56 1jfb s ASP 208 Cb 0.02 -2.27 -0.02 0.00 -1.45 0.00 0.00 42.92 39.20 1jfb s ASP 208 CO 0.08 -0.50 0.32 1.51 0.13 0.00 0.00 175.17 176.71 1jfb s ASP 209 N 1.98 0.03 0.13 -0.34 3.84 -1.26 -5.02 116.67 116.03 1jfb s ASP 209 Ca 0.31 -1.14 -0.13 0.00 -0.00 0.00 0.00 52.55 51.59 1jfb s ASP 209 Cb -0.08 0.49 -0.03 0.00 -1.38 0.00 0.00 42.92 41.93 1jfb s ASP 209 CO -0.07 -1.01 1.52 0.40 -0.00 0.00 0.00 175.17 176.02 1jfb h ILE 210 N 2.42 1.28 -0.86 2.11 2.04 -1.16 -2.41 117.51 120.92 1jfb h ILE 210 Ca -0.30 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.27 1jfb h ILE 210 Cb 1.25 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 1jfb h ILE 210 CO 0.43 0.43 0.55 0.40 0.00 0.00 0.00 178.15 179.96 1jfb h ILE 211 N 0.64 1.23 -0.71 -0.67 2.04 -1.63 -0.99 117.51 117.41 1jfb h ILE 211 Ca 0.09 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 1jfb h ILE 211 Cb 0.71 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1jfb h ILE 211 CO 0.05 0.23 0.38 0.28 0.00 0.00 0.00 178.15 179.09 1jfb h SER 212 N 1.17 0.89 -0.73 1.72 0.02 -1.76 -0.31 113.55 114.57 1jfb h SER 212 Ca 0.31 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1jfb h SER 212 Cb -0.09 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.19 1jfb h SER 212 CO -0.06 0.74 0.34 0.11 -1.14 0.00 0.00 176.83 176.81 1jfb h LYS 213 N 0.98 1.06 -0.53 3.45 1.57 -0.93 0.55 116.57 122.71 1jfb h LYS 213 Ca 0.25 -0.16 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1jfb h LYS 213 Cb 0.05 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 1jfb h LYS 213 CO -0.04 0.84 0.28 -0.07 -0.57 0.00 0.00 179.45 179.89 1jfb h LEU 214 N 1.02 0.42 0.16 2.94 3.38 -0.73 0.66 115.31 123.17 1jfb h LEU 214 Ca 0.25 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1jfb h LEU 214 Cb 0.14 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1jfb h LEU 214 CO -0.03 0.29 -0.08 0.00 0.09 0.00 0.00 178.44 178.71 1jfb h THR 216 N -0.37 1.31 0.00 0.00 1.35 -0.83 -0.04 112.91 114.32 1jfb h THR 216 Ca -0.02 -1.88 -0.09 0.00 -0.55 0.00 0.00 66.41 63.87 1jfb h THR 216 Cb 0.29 2.00 -0.02 0.00 -1.73 0.00 0.00 68.15 68.70 1jfb h THR 216 CO 0.04 0.59 -1.15 -0.33 -0.25 0.00 0.00 175.52 174.41 1jfb h GLU 217 N 0.41 0.00 0.00 4.72 5.08 -0.92 -3.39 114.58 120.48 1jfb h GLU 217 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1jfb h GLU 217 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1jfb h GLU 217 CO 0.13 0.17 -0.73 1.04 -1.00 0.00 0.00 179.01 178.62 1jfb n GLN 218 N -2.82 0.00 -0.03 2.33 1.13 -0.18 -4.67 117.38 113.13 1jfb n GLN 218 Ca -0.05 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.88 1jfb n GLN 218 Cb 0.70 -0.66 -0.11 0.00 0.11 0.00 0.00 30.24 30.28 1jfb n GLN 218 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1jfb h VAL 219 N 0.00 1.49 -0.66 5.09 2.07 -0.84 0.39 116.25 123.79 1jfb h VAL 219 Ca 0.00 -1.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 1jfb h VAL 219 Cb 0.73 2.48 -0.03 0.00 -1.52 0.00 0.00 31.29 32.95 1jfb h VAL 219 CO 0.00 0.38 0.31 0.11 0.02 0.00 0.00 177.57 178.39 1jfb h LYS 220 N -0.60 0.96 0.00 1.57 1.57 -1.20 -0.86 116.57 118.02 1jfb h LYS 220 Ca -0.00 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1jfb h LYS 220 Cb 0.64 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1jfb h LYS 220 CO 0.00 0.77 0.00 -2.30 -0.57 0.00 0.00 179.45 177.36 1jfb n PRO 221 N -4.45 0.11 -0.40 3.15 -0.02 -1.25 -4.88 135.00 127.25 1jfb n PRO 221 Ca 0.05 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1jfb n PRO 221 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1jfb n PRO 221 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jfb n GLY 222 N 0.20 0.80 0.09 -1.23 0.00 -0.33 -4.96 105.19 99.75 1jfb n GLY 222 Ca 0.06 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 1jfb n GLY 222 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jfb h ASN 223 N 0.00 0.00 -5.41 1.61 2.35 -1.14 -3.46 115.58 109.53 1jfb h ASN 223 Ca 0.00 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 1jfb h ASN 223 Cb 0.00 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.22 1jfb h ASN 223 CO 0.00 0.87 -0.60 0.27 -1.65 0.00 0.00 177.43 176.32 1jfb s ILE 224 N -2.97 0.09 0.50 2.81 -4.36 -0.95 -5.02 121.20 111.31 1jfb s ILE 224 Ca 0.01 -1.84 0.08 0.00 -0.26 0.00 0.00 60.65 58.64 1jfb s ILE 224 Cb 0.11 -2.04 0.05 0.00 1.25 0.00 0.00 42.46 41.83 1jfb s ILE 224 CO 0.80 -0.42 0.69 1.51 0.24 0.00 0.00 174.94 177.76 1jfb s ASP 225 N -3.04 5.36 0.22 4.36 3.84 -1.26 -4.11 116.67 122.03 1jfb s ASP 225 Ca 0.24 -0.60 -0.09 0.00 -0.00 0.00 0.00 52.55 52.11 1jfb s ASP 225 Cb 0.07 -0.22 0.21 0.00 -1.38 0.00 0.00 42.92 41.59 1jfb s ASP 225 CO 0.02 -1.07 1.88 0.11 -0.00 0.00 0.00 175.17 176.11 1jfb h LYS 226 N 0.38 1.02 -0.92 2.11 1.57 -1.98 -1.80 116.57 116.95 1jfb h LYS 226 Ca -0.35 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.37 1jfb h LYS 226 Cb 1.28 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 33.32 1jfb h LYS 226 CO 0.43 0.68 0.61 1.03 -0.57 0.00 0.00 179.45 181.62 1jfb h SER 227 N 1.05 1.06 -0.79 0.86 0.87 -2.00 -1.66 113.55 112.94 1jfb h SER 227 Ca 0.31 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.81 1jfb h SER 227 Cb -0.06 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.60 1jfb h SER 227 CO -0.09 0.77 0.37 0.44 -0.53 0.00 0.00 176.83 177.79 1jfb h ASP 228 N 1.25 1.05 -0.62 6.23 3.32 -1.74 -1.42 116.42 124.48 1jfb h ASP 228 Ca 0.34 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1jfb h ASP 228 Cb -0.14 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.11 1jfb h ASP 228 CO -0.07 0.89 0.39 0.00 -1.72 0.00 0.00 179.24 178.74 1jfb h ALA 229 N 1.19 0.79 -0.25 3.45 0.00 -0.75 0.12 119.26 123.81 1jfb h ALA 229 Ca 0.27 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1jfb h ALA 229 Cb 0.13 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1jfb h ALA 229 CO -0.03 0.25 0.08 0.28 0.00 0.00 0.00 179.25 179.82 1jfb h VAL 230 N 0.84 0.93 -0.09 0.00 2.07 -1.03 -1.17 116.25 117.79 1jfb h VAL 230 Ca 0.23 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.57 1jfb h VAL 230 Cb -0.06 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1jfb h VAL 230 CO -0.05 0.04 -0.44 1.56 0.02 0.00 0.00 177.57 178.69 1jfb h GLN 231 N 0.19 0.20 -0.18 1.57 1.08 -0.63 0.23 115.11 117.58 1jfb h GLN 231 Ca 0.11 -0.10 -0.05 0.00 -1.45 0.00 0.00 58.65 57.16 1jfb h GLN 231 Cb 0.09 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1jfb h GLN 231 CO -0.12 0.61 -0.09 0.82 -0.95 0.00 0.00 178.83 179.10 1jfb h ILE 232 N 0.17 1.31 -0.60 2.54 2.04 -0.80 -0.55 117.51 121.62 1jfb h ILE 232 Ca 0.01 -1.15 0.06 0.00 1.00 0.00 0.00 64.86 64.78 1jfb h ILE 232 Cb 0.86 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 38.57 1jfb h ILE 232 CO 0.07 0.34 0.31 0.00 0.00 0.00 0.00 178.15 178.87 1jfb h ALA 233 N 0.68 0.79 -0.62 1.87 0.00 -1.02 -1.82 119.26 119.15 1jfb h ALA 233 Ca 0.04 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1jfb h ALA 233 Cb 0.58 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1jfb h ALA 233 CO 0.03 -0.04 0.28 0.35 0.00 0.00 0.00 179.25 179.87 1jfb h PHE 234 N 0.58 0.92 -0.42 0.00 3.04 -0.81 -1.54 116.94 118.70 1jfb h PHE 234 Ca 0.27 -0.06 0.06 0.00 3.98 0.00 0.00 57.97 62.23 1jfb h PHE 234 Cb 0.20 -0.28 -0.05 0.00 2.56 0.00 0.00 35.95 38.37 1jfb h PHE 234 CO -0.10 0.71 0.12 1.25 -2.02 0.00 0.00 178.31 178.28 1jfb h LEU 235 N 0.86 0.10 -1.19 0.59 5.85 -0.80 0.10 115.31 120.82 1jfb h LEU 235 Ca 0.21 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 1jfb h LEU 235 Cb 0.16 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1jfb h LEU 235 CO -0.02 0.09 0.43 -0.07 -0.34 0.00 0.00 178.44 178.53 1jfb h LEU 236 N 0.28 0.87 0.33 2.25 3.38 -0.88 0.28 115.31 121.82 1jfb h LEU 236 Ca 0.20 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1jfb h LEU 236 Cb 0.22 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jfb h LEU 236 CO -0.23 0.67 -0.16 0.25 0.09 0.00 0.00 178.44 179.07 1jfb h LEU 237 N 1.00 -0.37 0.00 1.67 5.85 -0.65 -3.37 115.31 119.44 1jfb h LEU 237 Ca 0.26 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1jfb h LEU 237 Cb -0.03 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1jfb h LEU 237 CO -0.05 -0.06 -0.58 -0.37 -0.34 0.00 0.00 178.44 177.04 1jfb h VAL 238 N -0.70 0.00 -0.64 1.05 -1.51 -0.81 -3.27 116.25 110.37 1jfb h VAL 238 Ca -0.04 -0.94 -0.02 0.00 -1.23 0.00 0.00 66.70 64.47 1jfb h VAL 238 Cb 0.48 1.64 -0.03 0.00 -2.13 0.00 0.00 31.29 31.25 1jfb h VAL 238 CO 0.07 0.00 0.34 0.00 -1.23 0.00 0.00 177.57 176.75 1jfb h ALA 239 N 2.06 0.82 0.00 5.19 0.00 -1.10 -3.35 119.26 122.88 1jfb h ALA 239 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jfb h ALA 239 Cb 0.97 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1jfb h ALA 239 CO 0.00 0.35 -0.16 0.41 0.00 0.00 0.00 179.25 179.85 1jfb n GLY 240 N -1.03 0.72 0.06 0.00 0.00 -1.26 -4.81 105.19 98.87 1jfb n GLY 240 Ca 0.05 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1jfb n GLY 240 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1jfb h ASN 241 N 0.00 -0.02 -0.12 1.61 -1.24 -1.70 -0.49 115.58 113.62 1jfb h ASN 241 Ca 0.00 -0.35 -0.03 0.00 0.71 0.00 0.00 56.30 56.62 1jfb h ASN 241 Cb 0.06 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 1jfb h ASN 241 CO 0.00 0.34 -0.01 0.00 -1.29 0.00 0.00 177.43 176.48 1jfb h ALA 242 N 0.58 1.57 -0.38 1.57 0.00 -1.88 -1.27 119.26 119.45 1jfb h ALA 242 Ca -0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1jfb h ALA 242 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1jfb h ALA 242 CO 0.00 0.32 0.05 1.15 0.00 0.00 0.00 179.25 180.77 1jfb h THR 243 N 0.33 1.24 -0.52 0.00 2.02 -1.78 -1.99 112.91 112.21 1jfb h THR 243 Ca 0.08 -0.88 0.05 0.00 0.77 0.00 0.00 66.41 66.42 1jfb h THR 243 Cb 0.23 1.08 -0.05 0.00 -1.74 0.00 0.00 68.15 67.67 1jfb h THR 243 CO 0.01 0.30 0.25 0.24 0.37 0.00 0.00 175.52 176.69 1jfb h MET 244 N 0.48 0.47 -0.15 6.66 2.07 -0.18 0.36 114.93 124.65 1jfb h MET 244 Ca 0.11 -0.03 0.02 0.00 -2.07 0.00 0.00 59.70 57.73 1jfb h MET 244 Cb 0.39 -0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 29.99 1jfb h MET 244 CO 0.01 0.31 0.03 0.28 1.07 0.00 0.00 176.91 178.61 1jfb h VAL 245 N 0.49 0.94 -0.84 -2.22 2.07 -1.11 -1.34 116.25 114.23 1jfb h VAL 245 Ca 0.23 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.74 1jfb h VAL 245 Cb 0.16 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 1jfb h VAL 245 CO -0.17 0.02 0.55 0.78 0.02 0.00 0.00 177.57 178.76 1jfb h ASN 246 N 0.09 0.92 -0.70 0.57 2.35 -1.01 -1.88 115.58 115.92 1jfb h ASN 246 Ca 0.07 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 1jfb h ASN 246 Cb 0.06 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 1jfb h ASN 246 CO -0.09 0.65 0.23 0.24 -1.65 0.00 0.00 177.43 176.81 1jfb h MET 247 N 1.09 1.08 0.13 0.81 2.86 -0.41 0.12 114.93 120.61 1jfb h MET 247 Ca 0.33 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1jfb h MET 247 Cb -0.04 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.46 1jfb h MET 247 CO -0.10 0.93 -0.06 0.82 1.06 0.00 0.00 176.91 179.55 1jfb h ILE 248 N 1.03 0.89 -0.41 -1.22 2.04 -1.01 -0.45 117.51 118.39 1jfb h ILE 248 Ca 0.23 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 66.01 1jfb h ILE 248 Cb 0.28 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1jfb h ILE 248 CO -0.01 0.02 0.24 0.00 0.00 0.00 0.00 178.15 178.40 1jfb h ALA 249 N 0.66 0.53 -0.50 1.87 0.00 -1.16 -2.06 119.26 118.59 1jfb h ALA 249 Ca -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1jfb h ALA 249 Cb 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1jfb h ALA 249 CO 0.03 0.02 0.23 -0.07 0.00 0.00 0.00 179.25 179.46 1jfb h LEU 250 N 0.54 0.63 -0.44 0.00 3.38 -0.69 -1.21 115.31 117.52 1jfb h LEU 250 Ca 0.15 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1jfb h LEU 250 Cb 0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1jfb h LEU 250 CO -0.03 0.55 0.19 1.23 0.09 0.00 0.00 178.44 180.47 1jfb h GLY 251 N 0.82 0.69 0.98 0.83 0.00 -0.52 0.61 103.07 106.48 1jfb h GLY 251 Ca 0.17 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 1jfb h GLY 251 CO -0.02 0.34 0.24 -2.08 0.00 0.00 0.00 176.54 175.02 1jfb h VAL 252 N 0.56 1.13 -0.59 4.60 2.07 -1.02 -1.41 116.25 121.59 1jfb h VAL 252 Ca 0.15 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1jfb h VAL 252 Cb 0.16 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1jfb h VAL 252 CO -0.01 0.13 0.36 0.00 0.02 0.00 0.00 177.57 178.06 1jfb h ALA 253 N 1.11 0.75 -0.77 1.67 0.00 -1.09 -2.03 119.26 118.89 1jfb h ALA 253 Ca 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1jfb h ALA 253 Cb 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1jfb h ALA 253 CO -0.03 0.23 0.39 1.15 0.00 0.00 0.00 179.25 180.99 1jfb h THR 254 N 0.79 1.24 -0.82 0.00 2.02 -0.57 0.05 112.91 115.62 1jfb h THR 254 Ca 0.21 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 1jfb h THR 254 Cb -0.02 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 66.59 1jfb h THR 254 CO -0.04 0.28 0.44 -0.07 0.37 0.00 0.00 175.52 176.50 1jfb h LEU 255 N 1.09 1.03 -0.89 2.58 3.38 -1.03 -1.51 115.31 119.95 1jfb h LEU 255 Ca 0.27 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1jfb h LEU 255 Cb 0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1jfb h LEU 255 CO -0.04 0.84 0.01 0.00 0.09 0.00 0.00 178.44 179.34 1jfb h ALA 256 N 1.24 1.08 -0.82 1.53 0.00 -0.82 -2.69 119.26 118.78 1jfb h ALA 256 Ca 0.29 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1jfb h ALA 256 Cb 0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1jfb h ALA 256 CO -0.05 0.58 0.42 1.96 0.00 0.00 0.00 179.25 182.16 1jfb h GLN 257 N 0.77 1.16 -3.25 0.00 1.08 -0.46 -3.35 115.11 111.06 1jfb h GLN 257 Ca 0.15 -0.15 -0.66 0.00 -1.45 0.00 0.00 58.65 56.54 1jfb h GLN 257 Cb 0.46 -0.22 -0.39 0.00 -0.05 0.00 0.00 27.48 27.28 1jfb h GLN 257 CO 0.02 0.87 -0.38 -1.01 -0.95 0.00 0.00 178.83 177.38 1jfb s HIS 258 N -5.70 3.64 0.39 2.96 3.76 -0.62 -4.98 115.29 114.74 1jfb s HIS 258 Ca -0.12 -3.15 0.12 0.00 -0.15 0.00 0.00 55.06 51.76 1jfb s HIS 258 Cb 0.17 -2.96 0.94 0.00 1.11 0.00 0.00 32.58 31.83 1jfb s HIS 258 CO 0.82 -0.66 1.89 -1.35 -0.85 0.00 0.00 174.74 174.59 1jfb h PRO 259 N 5.88 0.54 -0.16 8.40 0.11 -1.70 -2.00 132.00 143.07 1jfb h PRO 259 Ca 0.11 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.08 1jfb h PRO 259 Cb 0.81 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 1jfb h PRO 259 CO 0.76 0.36 -0.37 0.22 -0.21 0.00 0.00 178.00 178.76 1jfb h ASP 260 N 0.56 0.37 -0.17 -2.05 3.58 -1.94 0.21 116.42 116.98 1jfb h ASP 260 Ca 0.42 -0.15 -0.14 0.00 0.42 0.00 0.00 57.03 57.58 1jfb h ASP 260 Cb 0.81 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.74 1jfb h ASP 260 CO -0.17 0.72 -0.36 1.56 -2.88 0.00 0.00 179.24 178.10 1jfb h GLN 261 N 0.30 0.69 -0.61 0.28 4.20 -1.70 -1.11 115.11 117.16 1jfb h GLN 261 Ca 0.03 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.41 1jfb h GLN 261 Cb 0.80 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.55 1jfb h GLN 261 CO 0.06 0.94 0.40 1.25 -0.67 0.00 0.00 178.83 180.81 1jfb h LEU 262 N 0.57 0.71 -0.88 1.46 5.85 -1.20 -0.91 115.31 120.91 1jfb h LEU 262 Ca 0.06 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.78 1jfb h LEU 262 Cb 0.89 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 1jfb h LEU 262 CO 0.08 0.53 0.57 0.00 -0.34 0.00 0.00 178.44 179.27 1jfb h ALA 263 N 1.21 1.18 -0.45 1.25 0.00 -0.70 -0.66 119.26 121.09 1jfb h ALA 263 Ca 0.22 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1jfb h ALA 263 Cb -0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1jfb h ALA 263 CO -0.05 0.40 0.19 1.96 0.00 0.00 0.00 179.25 181.75 1jfb h GLN 264 N 1.09 0.67 -0.56 0.00 4.20 -0.77 -1.40 115.11 118.33 1jfb h GLN 264 Ca 0.36 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.87 1jfb h GLN 264 Cb 0.04 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 1jfb h GLN 264 CO -0.13 0.60 0.03 1.25 -0.67 0.00 0.00 178.83 179.92 1jfb h LEU 265 N 0.58 0.95 -0.19 1.46 5.85 -0.75 -0.89 115.31 122.32 1jfb h LEU 265 Ca 0.15 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1jfb h LEU 265 Cb 0.18 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1jfb h LEU 265 CO -0.01 1.00 0.05 0.11 -0.34 0.00 0.00 178.44 179.25 1jfb h LYS 266 N 0.86 0.13 0.00 1.25 1.57 -1.02 -2.64 116.57 116.72 1jfb h LYS 266 Ca 0.16 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1jfb h LYS 266 Cb 0.50 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1jfb h LYS 266 CO 0.02 0.09 -0.04 0.00 -0.57 0.00 0.00 179.45 178.95 1jfb h ALA 267 N 1.13 1.17 -1.59 3.86 0.00 -0.91 -3.36 119.26 119.56 1jfb h ALA 267 Ca 0.08 -0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.64 1jfb h ALA 267 Cb 0.06 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 17.59 1jfb h ALA 267 CO -0.10 0.06 -0.66 1.21 0.00 0.00 0.00 179.25 179.75 1jfb s ASN 268 N -5.75 -0.09 0.27 0.00 3.04 -0.37 -4.99 114.94 107.05 1jfb s ASN 268 Ca -0.03 -1.95 0.20 0.00 0.04 0.00 0.00 52.86 51.11 1jfb s ASN 268 Cb 0.13 0.97 1.01 0.00 -1.54 0.00 0.00 41.25 41.82 1jfb s ASN 268 CO 0.52 -0.14 1.61 -2.65 -3.04 0.00 0.00 177.10 173.39 1jfb n PRO 269 N 3.38 0.14 0.05 0.43 -0.02 -1.02 -1.29 135.00 136.66 1jfb n PRO 269 Ca 0.19 0.57 0.06 0.00 -2.02 0.00 0.00 63.50 62.30 1jfb n PRO 269 Cb 0.51 -1.89 0.29 0.00 -0.02 0.00 0.00 33.50 32.40 1jfb n PRO 269 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1jfb n SER 270 N -2.17 0.21 0.00 2.55 7.64 -1.26 -1.38 113.62 119.21 1jfb n SER 270 Ca -0.00 0.57 0.13 0.00 1.01 0.00 0.00 58.87 60.58 1jfb n SER 270 Cb 0.08 -0.61 0.71 0.00 -1.01 0.00 0.00 64.21 63.38 1jfb n SER 270 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1jfb n LEU 271 N -1.75 0.00 -0.24 -3.43 4.77 -0.41 -4.24 117.00 111.69 1jfb n LEU 271 Ca 0.01 0.18 -0.02 0.00 -0.03 0.00 0.00 56.01 56.15 1jfb n LEU 271 Cb 0.11 -0.18 0.09 0.00 -2.33 0.00 0.00 43.42 41.11 1jfb n LEU 271 CO 0.10 -0.03 1.11 0.00 -1.33 0.00 0.00 177.39 177.25 1jfb h ALA 272 N 3.40 0.91 -0.55 -1.18 0.00 -1.44 -1.17 119.26 119.22 1jfb h ALA 272 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1jfb h ALA 272 Cb 0.15 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1jfb h ALA 272 CO 0.00 0.11 0.23 -1.35 0.00 0.00 0.00 179.25 178.24 1jfb h PRO 273 N 0.75 0.42 -0.01 0.00 0.11 -1.84 -0.01 132.00 131.43 1jfb h PRO 273 Ca 0.29 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.22 1jfb h PRO 273 Cb 0.13 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 1jfb h PRO 273 CO -0.15 0.28 -0.71 -0.56 -0.21 0.00 0.00 178.00 176.64 1jfb h GLN 274 N 0.43 0.08 -0.28 1.05 3.07 -1.73 -0.45 115.11 117.28 1jfb h GLN 274 Ca 0.27 -0.07 0.03 0.00 0.09 0.00 0.00 58.65 58.97 1jfb h GLN 274 Cb 0.27 0.02 -0.03 0.00 0.08 0.00 0.00 27.48 27.81 1jfb h GLN 274 CO -0.24 0.76 0.08 0.35 0.09 0.00 0.00 178.83 179.86 1jfb h PHE 275 N 0.05 0.15 -0.69 0.06 3.57 -0.81 -1.74 116.94 117.52 1jfb h PHE 275 Ca -0.01 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1jfb h PHE 275 Cb 1.26 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.94 1jfb h PHE 275 CO 0.01 0.06 0.22 0.28 -2.23 0.00 0.00 178.31 176.64 1jfb h VAL 276 N 0.20 1.25 -0.17 1.41 2.07 -0.69 0.43 116.25 120.75 1jfb h VAL 276 Ca 0.13 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1jfb h VAL 276 Cb 0.11 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1jfb h VAL 276 CO -0.14 0.34 0.03 -0.33 0.02 0.00 0.00 177.57 177.48 1jfb h GLU 277 N 1.02 0.09 -0.66 1.57 4.39 -0.80 -0.51 114.58 119.69 1jfb h GLU 277 Ca 0.22 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.86 1jfb h GLU 277 Cb 0.29 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 1jfb h GLU 277 CO -0.01 0.06 0.17 1.49 -1.16 0.00 0.00 179.01 179.56 1jfb h GLU 278 N 0.09 1.05 -0.51 2.33 4.57 -0.93 -2.46 114.58 118.71 1jfb h GLU 278 Ca 0.07 -0.25 0.02 0.00 -1.18 0.00 0.00 59.36 58.03 1jfb h GLU 278 Cb 0.07 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 1jfb h GLU 278 CO -0.10 0.93 0.31 1.25 -1.18 0.00 0.00 179.01 180.22 1jfb h LEU 279 N 0.97 0.51 -1.21 1.64 5.85 -0.56 0.90 115.31 123.41 1jfb h LEU 279 Ca 0.21 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1jfb h LEU 279 Cb 0.35 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 1jfb h LEU 279 CO -0.00 0.37 -0.13 0.00 -0.34 0.00 0.00 178.44 178.33 1jfb h ARG 281 N 0.00 -0.06 -0.34 0.00 2.43 -1.10 -3.35 114.38 111.95 1jfb h ARG 281 Ca -0.00 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 1jfb h ARG 281 Cb 0.66 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1jfb h ARG 281 CO 0.02 0.43 -0.21 -0.92 -1.51 0.00 0.00 179.97 177.78 1jfb h TYR 282 N -0.97 0.87 -3.62 2.20 5.03 -0.74 -3.35 116.97 116.39 1jfb h TYR 282 Ca -0.01 -0.23 -0.74 0.00 2.58 0.00 0.00 58.73 60.34 1jfb h TYR 282 Cb 0.51 -0.20 -0.32 0.00 1.55 0.00 0.00 36.73 38.28 1jfb h TYR 282 CO 0.13 0.97 -0.12 -1.01 -1.32 0.00 0.00 178.16 176.80 1jfb s HIS 283 N -4.55 3.64 -1.16 -3.82 3.76 -0.12 -4.96 115.29 108.08 1jfb s HIS 283 Ca -0.12 -2.52 -0.17 0.00 -0.15 0.00 0.00 55.06 52.10 1jfb s HIS 283 Cb 0.09 -3.45 0.12 0.00 1.11 0.00 0.00 32.58 30.45 1jfb s HIS 283 CO 0.83 -0.88 1.47 0.99 -0.85 0.00 0.00 174.74 176.29 1jfb s THR 284 N -0.26 4.61 -0.97 1.30 2.01 -1.26 -4.58 115.64 116.50 1jfb s THR 284 Ca 0.20 -2.06 0.20 0.00 0.31 0.00 0.00 61.69 60.34 1jfb s THR 284 Cb -0.14 -4.98 0.17 0.00 0.01 0.00 0.00 72.50 67.55 1jfb s THR 284 CO -0.07 -1.75 1.64 0.00 -0.69 0.00 0.00 174.62 173.76 1jfb n ALA 285 N 6.90 1.90 -3.88 7.40 0.00 -1.26 -3.99 120.51 127.58 1jfb n ALA 285 Ca 0.37 -0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 1jfb n ALA 285 Cb 0.46 -1.33 -0.15 0.00 0.00 0.00 0.00 19.45 18.43 1jfb n ALA 285 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jfb s SER 286 N -3.10 4.38 0.00 0.00 0.15 -1.26 -4.52 113.70 109.35 1jfb s SER 286 Ca 0.09 -2.03 0.09 0.00 0.70 0.00 0.00 55.95 54.80 1jfb s SER 286 Cb 0.13 -1.29 0.05 0.00 -1.71 0.00 0.00 66.02 63.20 1jfb s SER 286 CO 0.37 -0.38 0.71 0.00 1.20 0.00 0.00 173.24 175.14 1jfb n ALA 287 N 4.38 2.55 -0.97 5.45 0.00 -1.26 -4.67 120.51 126.00 1jfb n ALA 287 Ca 0.02 -0.52 0.07 0.00 0.00 0.00 0.00 53.44 53.01 1jfb n ALA 287 Cb 0.41 -0.29 0.10 0.00 0.00 0.00 0.00 19.45 19.67 1jfb n ALA 287 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jfb n LEU 288 N 0.26 2.08 0.01 0.00 4.77 -1.26 -4.38 117.00 118.48 1jfb n LEU 288 Ca 0.05 -2.71 0.11 0.00 -0.03 0.00 0.00 56.01 53.43 1jfb n LEU 288 Cb 0.20 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 40.91 1jfb n LEU 288 CO 0.07 0.63 -0.16 0.00 -1.33 0.00 0.00 177.39 176.59 1jfb n ALA 289 N -1.16 3.80 -3.18 -1.18 0.00 -1.26 -4.71 120.51 112.83 1jfb n ALA 289 Ca 0.12 -0.50 -0.45 0.00 0.00 0.00 0.00 53.44 52.61 1jfb n ALA 289 Cb 0.58 -0.85 -0.01 0.00 0.00 0.00 0.00 19.45 19.17 1jfb n ALA 289 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jfb s ILE 290 N -3.18 5.51 0.04 0.00 1.01 -1.26 -4.96 121.20 118.36 1jfb s ILE 290 Ca 0.03 -2.81 0.06 0.00 0.00 0.00 0.00 60.65 57.93 1jfb s ILE 290 Cb 0.15 -4.69 -0.02 0.00 0.01 0.00 0.00 42.46 37.91 1jfb s ILE 290 CO 0.85 -1.32 -0.17 -0.54 0.00 0.00 0.00 174.94 173.76 1jfb s LYS 291 N 0.26 1.14 0.18 2.79 1.02 -1.26 -0.69 119.74 123.18 1jfb s LYS 291 Ca 0.32 -0.83 -0.10 0.00 0.02 0.00 0.00 55.97 55.38 1jfb s LYS 291 Cb -0.07 -1.20 -0.00 0.00 -0.52 0.00 0.00 37.83 36.04 1jfb s LYS 291 CO -0.06 0.30 0.33 1.03 -0.92 0.00 0.00 175.35 176.04 1jfb s ARG 292 N -1.12 1.23 0.07 1.68 1.81 -0.28 -4.63 118.95 117.71 1jfb s ARG 292 Ca 0.04 -1.15 0.08 0.00 -1.72 0.00 0.00 55.73 52.99 1jfb s ARG 292 Cb -0.08 0.41 -0.04 0.00 -0.45 0.00 0.00 34.95 34.79 1jfb s ARG 292 CO 0.01 -0.47 -0.19 0.99 -0.68 0.00 0.00 175.30 174.97 1jfb s THR 293 N -3.96 2.78 -0.05 0.02 2.01 -0.32 -0.73 115.64 115.39 1jfb s THR 293 Ca 0.17 -1.33 -0.30 0.00 0.31 0.00 0.00 61.69 60.54 1jfb s THR 293 Cb 0.02 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.29 1jfb s THR 293 CO 0.01 0.24 1.19 0.00 -0.69 0.00 0.00 174.62 175.37 1jfb s ALA 294 N -1.01 3.49 -0.02 7.40 0.00 -0.15 -0.89 121.76 130.57 1jfb s ALA 294 Ca 0.16 0.62 0.17 0.00 0.00 0.00 0.00 51.96 52.91 1jfb s ALA 294 Cb -0.10 -3.51 0.37 0.00 0.00 0.00 0.00 23.12 19.88 1jfb s ALA 294 CO 0.07 -0.75 1.59 0.87 0.00 0.00 0.00 175.76 177.54 1jfb h LYS 295 N 7.43 0.00 -3.49 0.00 1.57 -1.27 0.37 116.57 121.18 1jfb h LYS 295 Ca -0.34 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.41 1jfb h LYS 295 Cb 1.16 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.38 1jfb h LYS 295 CO 0.88 0.42 -0.05 -1.83 -0.57 0.00 0.00 179.45 178.30 1jfb s GLU 296 N -3.25 1.52 0.41 3.15 -1.05 -1.25 -4.72 118.70 113.52 1jfb s GLU 296 Ca 0.02 -1.13 -0.26 0.00 -0.15 0.00 0.00 54.97 53.46 1jfb s GLU 296 Cb 0.09 0.50 -0.10 0.00 -0.44 0.00 0.00 34.13 34.18 1jfb s GLU 296 CO 0.71 -0.64 1.38 -0.25 0.95 0.00 0.00 175.26 177.41 1jfb n ASP 297 N -0.37 3.15 -3.78 0.83 9.92 -1.26 -4.15 116.55 120.88 1jfb n ASP 297 Ca -0.04 1.15 -0.13 0.00 -0.53 0.00 0.00 54.79 55.24 1jfb n ASP 297 Cb 0.62 -1.56 -0.14 0.00 -0.64 0.00 0.00 41.12 39.39 1jfb n ASP 297 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1jfb s VAL 298 N -1.17 -0.03 -0.08 2.53 1.01 0.18 -4.93 120.40 117.91 1jfb s VAL 298 Ca 0.59 0.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.49 1jfb s VAL 298 Cb -0.48 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 1jfb s VAL 298 CO 0.60 0.05 0.52 -0.04 0.00 0.00 0.00 175.10 176.22 1jfb s MET 299 N 0.74 4.31 -0.21 2.72 -1.94 -1.26 -0.74 119.30 122.91 1jfb s MET 299 Ca -0.06 0.55 -0.02 0.00 -1.71 0.00 0.00 55.69 54.45 1jfb s MET 299 Cb -0.08 -3.40 0.06 0.00 2.01 0.00 0.00 34.83 33.43 1jfb s MET 299 CO -0.03 0.24 0.02 0.42 -0.01 0.00 0.00 175.02 175.65 1jfb s ILE 300 N 0.32 0.76 0.00 2.53 1.01 -0.08 -4.97 121.20 120.77 1jfb s ILE 300 Ca 0.28 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1jfb s ILE 300 Cb -0.16 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.08 1jfb s ILE 300 CO 0.13 -0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.47 1jfb n GLY 301 N 4.96 3.31 1.35 6.18 0.00 -1.26 -1.62 105.19 118.11 1jfb n GLY 301 Ca -0.09 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 45.78 1jfb n GLY 301 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jfb n ASP 302 N 4.19 3.90 -4.34 1.61 5.75 -1.26 -4.91 116.55 121.50 1jfb n ASP 302 Ca 0.00 -2.54 -0.27 0.00 -0.01 0.00 0.00 54.79 51.96 1jfb n ASP 302 Cb 0.00 -0.59 -0.13 0.00 -1.03 0.00 0.00 41.12 39.36 1jfb n ASP 302 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1jfb s LYS 303 N -2.06 1.38 -0.30 0.11 -0.14 -0.64 -5.11 119.74 112.98 1jfb s LYS 303 Ca 0.34 -1.22 -0.11 0.00 -1.36 0.00 0.00 55.97 53.62 1jfb s LYS 303 Cb 0.26 -1.73 -0.03 0.00 -1.68 0.00 0.00 37.83 34.64 1jfb s LYS 303 CO 0.11 0.42 0.20 -1.17 -0.76 0.00 0.00 175.35 174.15 1jfb s LEU 304 N -1.81 4.18 -0.35 3.17 2.96 -1.26 -0.90 118.68 124.65 1jfb s LEU 304 Ca 0.11 -0.22 -0.18 0.00 -0.22 0.00 0.00 54.13 53.63 1jfb s LEU 304 Cb -0.10 -2.10 -0.00 0.00 0.50 0.00 0.00 46.19 44.48 1jfb s LEU 304 CO 0.05 -0.13 0.50 -0.69 -1.32 0.00 0.00 176.35 174.75 1jfb s VAL 305 N 1.73 5.03 0.55 1.68 1.01 0.08 -4.99 120.40 125.48 1jfb s VAL 305 Ca 0.06 0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.22 1jfb s VAL 305 Cb -0.17 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 1jfb s VAL 305 CO 0.10 -0.21 0.95 -0.13 0.00 0.00 0.00 175.10 175.80 1jfb s ARG 306 N 2.35 3.69 0.19 2.72 0.52 -1.26 -0.65 118.95 126.52 1jfb s ARG 306 Ca 0.18 0.67 -0.32 0.00 -0.52 0.00 0.00 55.73 55.74 1jfb s ARG 306 Cb -0.16 -2.18 -0.16 0.00 0.52 0.00 0.00 34.95 32.98 1jfb s ARG 306 CO 0.13 -0.38 1.10 0.00 0.02 0.00 0.00 175.30 176.18 1jfb n ALA 307 N -2.22 -0.84 -1.11 2.13 0.00 -1.26 -1.48 120.51 115.72 1jfb n ALA 307 Ca 0.05 0.45 -0.04 0.00 0.00 0.00 0.00 53.44 53.90 1jfb n ALA 307 Cb 0.54 -2.00 -0.02 0.00 0.00 0.00 0.00 19.45 17.98 1jfb n ALA 307 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jfb n ASN 308 N 1.86 -3.85 -4.90 0.00 3.02 0.12 -4.97 115.26 106.54 1jfb n ASN 308 Ca 0.14 0.10 -0.33 0.00 -0.03 0.00 0.00 54.58 54.46 1jfb n ASN 308 Cb 0.26 -1.70 -0.05 0.00 -0.61 0.00 0.00 39.78 37.68 1jfb n ASN 308 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1jfb s GLU 309 N -1.78 3.49 0.37 3.52 2.02 -0.55 -4.06 118.70 121.71 1jfb s GLU 309 Ca 0.00 -0.25 -0.10 0.00 0.02 0.00 0.00 54.97 54.64 1jfb s GLU 309 Cb 0.00 -3.07 -0.07 0.00 0.10 0.00 0.00 34.13 31.09 1jfb s GLU 309 CO 0.00 0.65 0.72 0.20 0.02 0.00 0.00 175.26 176.85 1jfb s GLY 310 N -1.94 1.99 -0.02 -1.39 0.00 -1.13 -0.98 107.32 103.84 1jfb s GLY 310 Ca 0.29 -0.24 0.01 0.00 0.00 0.00 0.00 44.72 44.78 1jfb s GLY 310 CO 0.19 -0.06 -0.02 -0.42 0.00 0.00 0.00 173.10 172.79 1jfb s ILE 311 N -2.25 0.26 -0.18 0.90 1.01 0.09 -0.63 121.20 120.40 1jfb s ILE 311 Ca 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 61.11 1jfb s ILE 311 Cb -0.10 -0.28 0.01 0.00 0.01 0.00 0.00 42.46 42.10 1jfb s ILE 311 CO 0.29 0.12 -0.18 -0.63 0.00 0.00 0.00 174.94 174.55 1jfb s ILE 312 N 0.49 2.30 -0.33 2.92 1.01 0.66 -1.12 121.20 127.14 1jfb s ILE 312 Ca -0.05 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.66 1jfb s ILE 312 Cb -0.08 -1.98 0.03 0.00 0.01 0.00 0.00 42.46 40.44 1jfb s ILE 312 CO -0.01 0.52 0.11 0.00 0.00 0.00 0.00 174.94 175.56 1jfb s ALA 313 N 1.21 3.09 -0.65 9.38 0.00 0.14 -0.97 121.76 133.95 1jfb s ALA 313 Ca 0.03 -1.62 -0.27 0.00 0.00 0.00 0.00 51.96 50.09 1jfb s ALA 313 Cb -0.14 -2.27 0.03 0.00 0.00 0.00 0.00 23.12 20.75 1jfb s ALA 313 CO -0.09 -1.18 1.20 0.45 0.00 0.00 0.00 175.76 176.15 1jfb s SER 314 N 1.46 6.30 0.46 0.00 0.15 0.10 -4.40 113.70 117.77 1jfb s SER 314 Ca 0.01 -0.22 0.22 0.00 0.70 0.00 0.00 55.95 56.66 1jfb s SER 314 Cb -0.18 -2.54 1.09 0.00 -1.71 0.00 0.00 66.02 62.68 1jfb s SER 314 CO 0.03 -1.62 1.93 -0.55 1.20 0.00 0.00 173.24 174.24 1jfb h ASN 315 N 9.74 0.00 -0.11 5.45 -1.07 -1.88 -1.35 115.58 126.35 1jfb h ASN 315 Ca -0.27 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.10 1jfb h ASN 315 Cb 1.06 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.30 1jfb h ASN 315 CO 1.22 0.23 0.05 -0.61 0.07 0.00 0.00 177.43 178.39 1jfb h GLN 316 N 0.00 0.17 -0.59 4.14 4.15 -1.88 -1.28 115.11 119.81 1jfb h GLN 316 Ca -0.00 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 1jfb h GLN 316 Cb 0.55 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 1jfb h GLN 316 CO 0.03 0.25 0.22 1.03 -1.93 0.00 0.00 178.83 178.43 1jfb h SER 317 N 0.05 0.83 -0.97 -0.69 0.87 -1.78 -2.76 113.55 109.10 1jfb h SER 317 Ca 0.04 -0.18 0.12 0.00 -1.23 0.00 0.00 61.79 60.54 1jfb h SER 317 Cb 0.14 -0.22 -0.08 0.00 -0.44 0.00 0.00 62.40 61.80 1jfb h SER 317 CO -0.00 0.79 0.62 0.00 -0.53 0.00 0.00 176.83 177.70 1jfb h ALA 318 N 1.08 1.59 0.00 6.23 0.00 -1.11 -0.81 119.26 126.24 1jfb h ALA 318 Ca 0.20 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jfb h ALA 318 Cb 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1jfb h ALA 318 CO -0.01 0.16 0.00 0.09 0.00 0.00 0.00 179.25 179.49 1jfb n ASN 319 N -4.60 0.00 -0.66 0.00 3.02 -0.50 -2.05 115.26 110.48 1jfb n ASN 319 Ca 0.18 0.45 0.07 0.00 -0.03 0.00 0.00 54.58 55.26 1jfb n ASN 319 Cb 0.37 -0.48 0.19 0.00 -0.61 0.00 0.00 39.78 39.25 1jfb n ASN 319 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1jfb n ARG 320 N -1.48 2.77 -2.43 3.52 5.12 -0.34 -4.80 116.66 119.02 1jfb n ARG 320 Ca 0.05 -2.42 -0.43 0.00 -1.93 0.00 0.00 57.85 53.12 1jfb n ARG 320 Cb 0.22 -1.54 -0.02 0.00 -1.16 0.00 0.00 32.46 29.96 1jfb n ARG 320 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1jfb s ASP 321 N -1.60 6.44 0.63 0.55 3.68 -0.87 -4.76 116.67 120.74 1jfb s ASP 321 Ca 0.31 0.74 0.36 0.00 2.13 0.00 0.00 52.55 56.09 1jfb s ASP 321 Cb 0.23 -2.54 2.05 0.00 -1.45 0.00 0.00 42.92 41.21 1jfb s ASP 321 CO 0.10 -1.37 2.27 -0.33 0.13 0.00 0.00 175.17 175.97 1jfb h GLU 322 N 10.21 0.00 0.00 4.34 3.07 -1.91 0.06 114.58 130.35 1jfb h GLU 322 Ca -0.26 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.56 1jfb h GLU 322 Cb 1.09 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 1jfb h GLU 322 CO 1.10 0.00 -0.17 1.49 -1.40 0.00 0.00 179.01 180.02 1jfb h GLU 323 N 0.00 0.00 0.00 2.33 4.81 -1.98 -3.36 114.58 116.38 1jfb h GLU 323 Ca 0.01 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.96 1jfb h GLU 323 Cb 0.10 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1jfb h GLU 323 CO -0.00 0.17 -1.91 0.28 -0.73 0.00 0.00 179.01 176.82 1jfb n VAL 324 N -3.35 1.02 -3.75 0.32 0.31 -0.24 -4.94 118.33 107.70 1jfb n VAL 324 Ca 0.00 -0.22 -0.37 0.00 -0.01 0.00 0.00 64.34 63.74 1jfb n VAL 324 Cb 0.39 -1.77 -0.12 0.00 -0.91 0.00 0.00 33.84 31.44 1jfb n VAL 324 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1jfb s PHE 325 N -2.35 3.40 0.38 3.52 0.08 -0.16 -4.69 117.98 118.16 1jfb s PHE 325 Ca -0.25 -1.90 -0.28 0.00 0.12 0.00 0.00 56.93 54.62 1jfb s PHE 325 Cb 0.09 -2.78 -0.10 0.00 -0.57 0.00 0.00 43.02 39.65 1jfb s PHE 325 CO 0.31 -0.87 1.45 -2.00 -0.10 0.00 0.00 175.22 174.01 1jfb s GLU 326 N 1.28 4.07 -1.17 0.44 2.12 -1.26 -2.70 118.70 121.48 1jfb s GLU 326 Ca 0.02 2.49 -0.22 0.00 0.36 0.00 0.00 54.97 57.63 1jfb s GLU 326 Cb -0.22 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.25 1jfb s GLU 326 CO -0.01 -0.53 0.75 0.09 -0.54 0.00 0.00 175.26 175.02 1jfb n ASN 327 N 0.38 -4.75 0.27 -1.70 3.02 -1.26 -4.83 115.26 106.39 1jfb n ASN 327 Ca 0.02 -1.06 0.15 0.00 -0.03 0.00 0.00 54.58 53.66 1jfb n ASN 327 Cb 0.40 -3.09 0.77 0.00 -0.61 0.00 0.00 39.78 37.25 1jfb n ASN 327 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1jfb h PRO 328 N -2.01 0.00 -0.19 3.52 0.13 -1.81 -2.20 132.00 129.44 1jfb h PRO 328 Ca -0.67 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1jfb h PRO 328 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1jfb h PRO 328 CO 0.50 0.08 0.00 -0.25 -0.23 0.00 0.00 178.00 178.10 1jfb n ASP 329 N -3.37 1.91 -4.74 1.44 8.00 -1.26 -4.79 116.55 113.74 1jfb n ASP 329 Ca -0.01 -1.75 -0.38 0.00 0.71 0.00 0.00 54.79 53.36 1jfb n ASP 329 Cb 0.25 -0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 1jfb n ASP 329 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1jfb s GLU 330 N -1.75 4.28 -0.41 -1.24 2.12 -0.83 -5.05 118.70 115.82 1jfb s GLU 330 Ca 0.33 0.41 -0.25 0.00 0.36 0.00 0.00 54.97 55.82 1jfb s GLU 330 Cb 0.18 -3.41 0.02 0.00 0.26 0.00 0.00 34.13 31.18 1jfb s GLU 330 CO 0.27 0.23 0.89 0.12 -0.54 0.00 0.00 175.26 176.24 1jfb s PHE 331 N 0.39 3.01 -0.24 5.30 5.36 -1.26 -5.01 117.98 125.53 1jfb s PHE 331 Ca 0.25 0.54 -0.03 0.00 -0.96 0.00 0.00 56.93 56.73 1jfb s PHE 331 Cb -0.15 -3.74 0.08 0.00 -0.34 0.00 0.00 43.02 38.86 1jfb s PHE 331 CO 0.10 -0.93 0.09 1.21 -1.46 0.00 0.00 175.22 174.22 1jfb s ASN 332 N 2.05 3.18 0.57 6.13 2.47 -1.26 -4.99 114.94 123.09 1jfb s ASN 332 Ca 0.36 -1.06 0.29 0.00 0.42 0.00 0.00 52.86 52.87 1jfb s ASN 332 Cb -0.11 -0.50 1.73 0.00 -1.45 0.00 0.00 41.25 40.92 1jfb s ASN 332 CO 0.22 -0.37 2.21 0.00 -3.72 0.00 0.00 177.10 175.43 1jfb h MET 333 N 8.30 0.00 -0.70 0.43 -0.00 -1.93 -0.87 114.93 120.16 1jfb h MET 333 Ca -0.16 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.47 1jfb h MET 333 Cb 1.08 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.64 1jfb h MET 333 CO 0.38 0.04 0.08 0.09 -0.00 0.00 0.00 176.91 177.50 1jfb n ASN 334 N -3.76 4.85 -4.50 -0.10 3.02 -1.26 -4.43 115.26 109.08 1jfb n ASN 334 Ca -0.03 -2.88 -0.47 0.00 -0.03 0.00 0.00 54.58 51.17 1jfb n ASN 334 Cb 0.13 -0.68 -0.03 0.00 -0.61 0.00 0.00 39.78 38.59 1jfb n ASN 334 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1jfb n ARG 335 N 0.32 0.67 -2.93 3.52 0.63 -0.34 -4.93 116.66 113.61 1jfb n ARG 335 Ca 0.28 0.24 -0.43 0.00 -0.92 0.00 0.00 57.85 57.01 1jfb n ARG 335 Cb 1.13 -1.47 -0.05 0.00 0.45 0.00 0.00 32.46 32.52 1jfb n ARG 335 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1jfb s LYS 336 N -1.09 3.28 0.28 -0.14 2.20 -1.26 -5.03 119.74 117.98 1jfb s LYS 336 Ca 0.64 -0.42 -0.28 0.00 -0.36 0.00 0.00 55.97 55.55 1jfb s LYS 336 Cb -0.85 -4.06 -0.09 0.00 -1.51 0.00 0.00 37.83 31.32 1jfb s LYS 336 CO 0.57 -1.39 0.96 -1.58 -0.36 0.00 0.00 175.35 173.55 1jfb s TRP 337 N 3.56 3.81 0.98 4.03 0.52 -1.26 -4.92 118.94 125.65 1jfb s TRP 337 Ca 0.26 1.84 -0.16 0.00 0.02 0.00 0.00 56.10 58.05 1jfb s TRP 337 Cb -0.14 -3.00 0.21 0.00 -1.15 0.00 0.00 33.47 29.39 1jfb s TRP 337 CO 0.17 0.21 1.34 -1.25 0.02 0.00 0.00 176.95 177.44 1jfb s PRO 338 N -1.58 0.52 0.41 4.98 0.04 -1.26 -4.98 135.00 133.13 1jfb s PRO 338 Ca 0.45 -0.46 0.21 0.00 0.04 0.00 0.00 61.00 61.25 1jfb s PRO 338 Cb -0.24 -1.84 0.83 0.00 0.04 0.00 0.00 34.50 33.30 1jfb s PRO 338 CO 0.30 -2.49 1.80 -1.00 0.04 0.00 0.00 177.00 175.65 1jfb h PRO 339 N -1.70 0.00 -6.68 0.56 0.13 -1.97 -3.44 132.00 118.91 1jfb h PRO 339 Ca -0.44 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.17 1jfb h PRO 339 Cb 1.23 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.36 1jfb h PRO 339 CO 0.36 0.30 0.49 -0.65 -0.23 0.00 0.00 178.00 178.27 1jfb s GLN 340 N -3.70 4.58 0.27 0.86 1.11 -1.26 -4.99 119.66 116.52 1jfb s GLN 340 Ca -0.00 1.75 -0.29 0.00 0.01 0.00 0.00 55.36 56.83 1jfb s GLN 340 Cb 0.11 -3.26 -0.10 0.00 -1.01 0.00 0.00 33.01 28.76 1jfb s GLN 340 CO 0.66 0.07 1.31 -0.51 0.01 0.00 0.00 175.29 176.83 1jfb s ASP 341 N -0.19 6.85 0.71 5.90 1.01 -1.26 -5.01 116.67 124.68 1jfb s ASP 341 Ca 0.49 2.54 -0.15 0.00 0.71 0.00 0.00 52.55 56.14 1jfb s ASP 341 Cb -0.30 -2.63 0.03 0.00 1.01 0.00 0.00 42.92 41.03 1jfb s ASP 341 CO 0.36 -0.51 1.20 -2.16 0.21 0.00 0.00 175.17 174.27 1jfb s PRO 342 N -0.94 2.27 -0.23 8.23 0.04 -1.26 -4.96 135.00 138.15 1jfb s PRO 342 Ca 0.53 1.76 0.12 0.00 0.04 0.00 0.00 61.00 63.45 1jfb s PRO 342 Cb -0.38 -1.85 0.46 0.00 0.04 0.00 0.00 34.50 32.77 1jfb s PRO 342 CO 0.45 -1.73 1.37 1.28 0.04 0.00 0.00 177.00 178.40 1jfb n LEU 343 N -2.57 3.56 0.23 -3.56 4.77 -1.26 -4.69 117.00 113.49 1jfb n LEU 343 Ca 0.13 -3.54 0.15 0.00 -0.03 0.00 0.00 56.01 52.72 1jfb n LEU 343 Cb 0.50 -0.57 0.80 0.00 -2.33 0.00 0.00 43.42 41.82 1jfb n LEU 343 CO 0.47 1.09 1.13 1.23 -1.33 0.00 0.00 177.39 179.97 1jfb h GLY 344 N 1.02 0.00 -1.81 -0.72 0.00 -1.87 -1.79 103.07 97.90 1jfb h GLY 344 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1jfb h GLY 344 CO 0.23 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.46 1jfb n PHE 345 N -4.05 0.96 -4.14 5.60 3.72 -1.26 -4.72 117.46 113.56 1jfb n PHE 345 Ca -0.00 -0.74 0.00 0.00 -0.05 0.00 0.00 57.45 56.66 1jfb n PHE 345 Cb 0.22 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 1jfb n PHE 345 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jfb n GLY 346 N 0.01 -0.93 3.51 1.37 0.00 -0.68 -1.14 105.19 107.34 1jfb n GLY 346 Ca 0.20 -1.20 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 1jfb n GLY 346 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jfb s PHE 347 N 0.00 -0.42 0.00 1.61 5.36 -1.26 -4.72 117.98 118.54 1jfb s PHE 347 Ca 0.00 0.46 0.00 0.00 -0.96 0.00 0.00 56.93 56.43 1jfb s PHE 347 Cb 0.00 0.50 0.00 0.00 -0.34 0.00 0.00 43.02 43.18 1jfb s PHE 347 CO 0.00 -0.55 0.00 0.41 -1.46 0.00 0.00 175.22 173.62 1jfb n GLY 348 N 0.13 -1.50 0.22 13.12 0.00 -1.26 -3.65 105.19 112.26 1jfb n GLY 348 Ca -0.12 -1.31 0.06 0.00 0.00 0.00 0.00 46.02 44.66 1jfb n GLY 348 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jfb h ASP 349 N 0.00 0.00 0.07 1.61 3.32 -1.95 -1.97 116.42 117.49 1jfb h ASP 349 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jfb h ASP 349 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1jfb h ASP 349 CO 0.00 0.20 -0.02 1.41 -1.72 0.00 0.00 179.24 179.11 1jfb n HIS 350 N -4.16 0.00 -1.54 4.55 8.25 -1.26 -4.94 115.22 116.12 1jfb n HIS 350 Ca -0.02 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 56.98 1jfb n HIS 350 Cb 0.27 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.32 1jfb n HIS 350 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1jfb n ARG 351 N -0.59 0.97 -1.63 -0.41 0.63 -0.74 -4.59 116.66 110.29 1jfb n ARG 351 Ca 0.20 0.34 -0.63 0.00 -0.92 0.00 0.00 57.85 56.84 1jfb n ARG 351 Cb 0.23 -1.64 -0.09 0.00 0.45 0.00 0.00 32.46 31.41 1jfb n ARG 351 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1jfb h ILE 353 N 4.34 1.02 -0.58 0.00 2.10 -1.92 -2.45 117.51 120.02 1jfb h ILE 353 Ca -0.44 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.40 1jfb h ILE 353 Cb 1.34 0.71 0.00 0.00 -1.09 0.00 0.00 36.82 37.78 1jfb h ILE 353 CO 0.87 0.05 0.00 0.00 -1.08 0.00 0.00 178.15 177.99 1jfb n ALA 354 N -2.51 3.70 -0.16 0.18 0.00 -1.26 -4.64 120.51 115.82 1jfb n ALA 354 Ca 0.02 -1.81 -0.04 0.00 0.00 0.00 0.00 53.44 51.61 1jfb n ALA 354 Cb 0.13 -1.11 0.06 0.00 0.00 0.00 0.00 19.45 18.53 1jfb n ALA 354 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1jfb h GLU 355 N 3.95 0.40 -0.51 0.00 4.81 -1.78 0.26 114.58 121.71 1jfb h GLU 355 Ca 0.00 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 1jfb h GLU 355 Cb 1.84 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 31.12 1jfb h GLU 355 CO 0.43 0.26 0.02 0.45 -0.73 0.00 0.00 179.01 179.45 1jfb h HIS 356 N 0.41 0.95 -0.15 0.92 -0.00 -1.82 -0.88 115.15 114.58 1jfb h HIS 356 Ca 0.23 -0.16 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 1jfb h HIS 356 Cb 0.20 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.35 1jfb h HIS 356 CO -0.13 0.88 0.10 1.25 -0.00 0.00 0.00 177.93 180.03 1jfb h LEU 357 N 0.75 0.17 -0.42 2.43 5.85 -1.60 -1.20 115.31 121.29 1jfb h LEU 357 Ca 0.15 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1jfb h LEU 357 Cb 0.49 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1jfb h LEU 357 CO 0.02 0.12 0.24 0.00 -0.34 0.00 0.00 178.44 178.48 1jfb h ALA 358 N 1.06 0.53 -0.49 1.25 0.00 -0.42 0.11 119.26 121.29 1jfb h ALA 358 Ca 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1jfb h ALA 358 Cb -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1jfb h ALA 358 CO -0.01 0.05 0.17 0.87 0.00 0.00 0.00 179.25 180.32 1jfb h LYS 359 N 0.55 0.72 -0.39 0.00 1.57 -1.08 -0.36 116.57 117.57 1jfb h LYS 359 Ca 0.15 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1jfb h LYS 359 Cb 0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1jfb h LYS 359 CO -0.03 0.61 -0.12 0.00 -0.57 0.00 0.00 179.45 179.35 1jfb h ALA 360 N 1.48 0.54 -0.29 3.86 0.00 -0.54 0.15 119.26 124.47 1jfb h ALA 360 Ca 0.17 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1jfb h ALA 360 Cb 0.18 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1jfb h ALA 360 CO -0.01 0.43 0.13 0.93 0.00 0.00 0.00 179.25 180.73 1jfb h GLU 361 N 0.58 0.27 -0.51 0.00 5.08 -0.36 -0.64 114.58 119.00 1jfb h GLU 361 Ca 0.10 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1jfb h GLU 361 Cb 0.65 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1jfb h GLU 361 CO 0.04 0.18 0.11 -0.07 -1.00 0.00 0.00 179.01 178.27 1jfb h LEU 362 N 0.28 0.78 -0.72 1.33 3.38 -0.91 -0.62 115.31 118.84 1jfb h LEU 362 Ca 0.12 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 1jfb h LEU 362 Cb 0.05 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1jfb h LEU 362 CO -0.09 0.82 0.19 0.71 0.09 0.00 0.00 178.44 180.16 1jfb h THR 363 N 0.71 1.26 -0.36 0.22 1.35 -0.60 -0.52 112.91 114.97 1jfb h THR 363 Ca 0.16 -0.96 -0.01 0.00 -0.55 0.00 0.00 66.41 65.05 1jfb h THR 363 Cb 0.36 0.51 -0.02 0.00 -1.73 0.00 0.00 68.15 67.27 1jfb h THR 363 CO 0.00 0.37 0.20 0.74 -0.25 0.00 0.00 175.52 176.59 1jfb h THR 364 N 1.09 1.14 0.07 6.82 2.02 -0.91 -0.43 112.91 122.70 1jfb h THR 364 Ca 0.23 -0.35 0.02 0.00 0.77 0.00 0.00 66.41 67.08 1jfb h THR 364 Cb 0.35 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1jfb h THR 364 CO -0.00 0.14 -0.22 0.58 0.37 0.00 0.00 175.52 176.40 1jfb h VAL 365 N 0.46 0.51 -0.00 3.16 2.07 -0.78 -2.52 116.25 119.15 1jfb h VAL 365 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1jfb h VAL 365 Cb 0.05 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1jfb h VAL 365 CO -0.02 0.00 -0.02 0.49 0.02 0.00 0.00 177.57 178.04 1jfb n PHE 366 N -5.34 0.00 1.13 1.57 3.01 -0.23 -0.63 117.46 116.96 1jfb n PHE 366 Ca -0.06 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.52 1jfb n PHE 366 Cb 0.25 -0.47 0.21 0.00 -0.01 0.00 0.00 39.48 39.46 1jfb n PHE 366 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1jfb n SER 367 N -1.47 1.35 -0.02 4.37 3.41 -0.19 -4.60 113.62 116.46 1jfb n SER 367 Ca 0.08 -1.08 -0.03 0.00 -0.26 0.00 0.00 58.87 57.58 1jfb n SER 367 Cb 0.33 0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 64.58 1jfb n SER 367 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1jfb n THR 368 N -0.53 0.21 -0.18 6.66 -1.04 -0.93 -4.68 114.28 113.79 1jfb n THR 368 Ca 0.10 -0.07 -0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1jfb n THR 368 Cb 0.39 -1.04 0.08 0.00 -1.82 0.00 0.00 70.33 67.95 1jfb n THR 368 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1jfb h LEU 369 N -0.06 -0.18 -0.14 -4.42 5.85 -1.10 -0.52 115.31 114.74 1jfb h LEU 369 Ca -0.09 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1jfb h LEU 369 Cb 1.11 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1jfb h LEU 369 CO -0.03 -0.07 -0.33 -1.22 -0.34 0.00 0.00 178.44 176.45 1jfb n TYR 370 N -5.22 0.00 0.03 1.25 4.01 -1.26 -0.95 117.16 115.02 1jfb n TYR 370 Ca 0.07 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.62 1jfb n TYR 370 Cb 0.31 -0.25 -0.11 0.00 -0.31 0.00 0.00 39.34 38.99 1jfb n TYR 370 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1jfb h GLN 371 N 0.34 0.61 -0.18 -0.72 1.08 -1.58 -2.67 115.11 111.99 1jfb h GLN 371 Ca 0.00 -0.66 -0.03 0.00 -1.45 0.00 0.00 58.65 56.51 1jfb h GLN 371 Cb 0.48 0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 1jfb h GLN 371 CO 0.00 1.26 -0.00 -0.22 -0.95 0.00 0.00 178.83 178.92 1jfb h LYS 372 N 0.22 0.31 -2.39 1.46 1.63 -1.06 -3.38 116.57 113.36 1jfb h LYS 372 Ca -0.11 -0.10 -0.60 0.00 -0.85 0.00 0.00 60.65 58.99 1jfb h LYS 372 Cb 1.58 -0.03 -0.41 0.00 -0.60 0.00 0.00 32.23 32.77 1jfb h LYS 372 CO 0.18 0.53 -0.73 1.19 -3.45 0.00 0.00 179.45 177.16 1jfb n PHE 373 N -4.72 2.24 0.31 1.91 0.99 -0.12 -4.95 117.46 113.12 1jfb n PHE 373 Ca -0.05 -3.98 0.20 0.00 -0.00 0.00 0.00 57.45 53.62 1jfb n PHE 373 Cb 0.22 -0.44 0.99 0.00 -1.00 0.00 0.00 39.48 39.25 1jfb n PHE 373 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1jfb h PRO 374 N 4.60 0.00 -0.45 -1.08 0.13 -1.67 -1.73 132.00 131.80 1jfb h PRO 374 Ca 0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 1jfb h PRO 374 Cb 0.75 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 1jfb h PRO 374 CO 0.68 0.00 0.02 -0.25 -0.23 0.00 0.00 178.00 178.22 1jfb n ASP 375 N -3.10 4.85 -4.73 1.44 8.00 -1.26 -5.00 116.55 116.75 1jfb n ASP 375 Ca -0.01 -3.02 -0.42 0.00 0.71 0.00 0.00 54.79 52.05 1jfb n ASP 375 Cb 0.17 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 40.61 1jfb n ASP 375 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1jfb s LEU 376 N -2.83 4.37 0.00 0.64 2.96 -0.65 -4.41 118.68 118.76 1jfb s LEU 376 Ca 0.49 2.83 0.00 0.00 -0.22 0.00 0.00 54.13 57.23 1jfb s LEU 376 Cb 0.39 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 43.47 1jfb s LEU 376 CO 0.12 -0.92 -0.01 -0.54 -1.32 0.00 0.00 176.35 173.68 1jfb s LYS 377 N 0.76 0.11 0.18 1.98 1.02 -0.15 -4.99 119.74 118.65 1jfb s LYS 377 Ca 0.71 -0.15 -0.31 0.00 0.02 0.00 0.00 55.97 56.24 1jfb s LYS 377 Cb -0.48 -0.03 -0.09 0.00 -0.52 0.00 0.00 37.83 36.71 1jfb s LYS 377 CO 0.36 0.00 1.41 0.08 -0.92 0.00 0.00 175.35 176.28 1jfb s VAL 378 N -0.31 3.01 -1.72 3.17 1.01 -1.26 -1.35 120.40 122.95 1jfb s VAL 378 Ca -0.03 0.78 0.20 0.00 0.00 0.00 0.00 61.98 62.93 1jfb s VAL 378 Cb -0.02 -3.50 0.64 0.00 0.00 0.00 0.00 36.38 33.50 1jfb s VAL 378 CO -0.00 0.09 1.54 0.00 0.00 0.00 0.00 175.10 176.73 1jfb n ALA 379 N 3.24 2.62 -2.36 5.51 0.00 0.53 -4.82 120.51 125.24 1jfb n ALA 379 Ca 0.09 -1.31 -0.19 0.00 0.00 0.00 0.00 53.44 52.04 1jfb n ALA 379 Cb 0.41 -0.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.79 1jfb n ALA 379 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1jfb s VAL 380 N -1.33 1.49 0.39 0.00 -7.23 -1.26 -4.98 120.40 107.49 1jfb s VAL 380 Ca 0.47 -2.13 -0.26 0.00 -1.81 0.00 0.00 61.98 58.25 1jfb s VAL 380 Cb 0.27 -2.22 -0.11 0.00 0.56 0.00 0.00 36.38 34.88 1jfb s VAL 380 CO 0.29 -0.46 1.28 -2.65 -0.31 0.00 0.00 175.10 173.25 1jfb n PRO 381 N -0.43 2.01 0.01 4.82 -0.02 -1.26 -4.86 135.00 135.27 1jfb n PRO 381 Ca -0.07 0.71 0.05 0.00 -2.02 0.00 0.00 63.50 62.17 1jfb n PRO 381 Cb 0.62 -2.37 0.45 0.00 -0.02 0.00 0.00 33.50 32.18 1jfb n PRO 381 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1jfb h LEU 382 N 2.25 0.42 -0.13 2.45 3.38 -2.00 0.52 115.31 122.21 1jfb h LEU 382 Ca -0.47 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1jfb h LEU 382 Cb 1.29 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1jfb h LEU 382 CO 0.61 0.30 0.00 0.61 0.09 0.00 0.00 178.44 180.05 1jfb n GLY 383 N -1.48 -0.93 1.17 0.83 0.00 -1.26 -2.28 105.19 101.24 1jfb n GLY 383 Ca 0.03 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1jfb n GLY 383 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jfb n LYS 384 N -1.61 2.53 -1.70 1.61 4.76 0.17 -4.99 118.16 118.92 1jfb n LYS 384 Ca 0.02 -2.31 -0.42 0.00 -2.87 0.00 0.00 58.31 52.73 1jfb n LYS 384 Cb 0.14 -1.52 -0.01 0.00 -1.84 0.00 0.00 35.03 31.80 1jfb n LYS 384 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1jfb n ILE 385 N 1.51 1.98 -2.93 -0.18 5.41 -0.96 -4.90 119.36 119.28 1jfb n ILE 385 Ca 0.20 -0.49 -0.44 0.00 1.00 0.00 0.00 62.75 63.01 1jfb n ILE 385 Cb 0.61 -1.59 -0.03 0.00 -0.71 0.00 0.00 39.64 37.93 1jfb n ILE 385 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1jfb s ASN 386 N -0.29 6.55 0.73 4.38 2.47 -1.26 -5.02 114.94 122.49 1jfb s ASN 386 Ca 0.56 -1.87 -0.11 0.00 0.42 0.00 0.00 52.86 51.85 1jfb s ASN 386 Cb -0.57 -2.40 0.03 0.00 -1.45 0.00 0.00 41.25 36.86 1jfb s ASN 386 CO 0.62 -1.12 1.09 -0.31 -3.72 0.00 0.00 177.10 173.66 1jfb s TYR 387 N 2.87 3.17 0.89 0.43 1.51 -1.26 -0.87 117.35 124.08 1jfb s TYR 387 Ca 0.30 1.15 -0.12 0.00 -1.01 0.00 0.00 57.07 57.39 1jfb s TYR 387 Cb -0.07 -3.03 0.11 0.00 -0.11 0.00 0.00 41.96 38.86 1jfb s TYR 387 CO -0.06 -1.33 1.05 0.25 -1.11 0.00 0.00 175.55 174.34 1jfb n THR 388 N -3.14 0.65 -1.68 -0.71 -2.24 -0.40 -4.59 114.28 102.18 1jfb n THR 388 Ca 0.07 -0.10 -0.39 0.00 -2.27 0.00 0.00 64.05 61.36 1jfb n THR 388 Cb 0.56 -1.00 0.04 0.00 -2.10 0.00 0.00 70.33 67.83 1jfb n THR 388 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1jfb n PRO 389 N -3.52 1.41 0.26 -0.78 -0.02 -1.26 -4.85 135.00 126.25 1jfb n PRO 389 Ca 0.12 0.52 0.18 0.00 -2.02 0.00 0.00 63.50 62.29 1jfb n PRO 389 Cb 0.52 -2.34 0.80 0.00 -0.02 0.00 0.00 33.50 32.46 1jfb n PRO 389 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1jfb h LEU 390 N 1.23 0.00 -1.63 2.45 3.38 -1.92 -1.31 115.31 117.51 1jfb h LEU 390 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1jfb h LEU 390 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1jfb h LEU 390 CO 0.55 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.62 1jfb n ASN 391 N -2.89 2.37 -4.70 -0.43 2.04 -1.26 -0.77 115.26 109.63 1jfb n ASN 391 Ca -0.00 -2.18 -0.28 0.00 -0.44 0.00 0.00 54.58 51.67 1jfb n ASN 391 Cb 0.21 -0.38 -0.09 0.00 -2.53 0.00 0.00 39.78 36.99 1jfb n ASN 391 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1jfb s ARG 392 N -1.66 2.09 0.58 -3.83 1.81 -0.50 -4.92 118.95 112.52 1jfb s ARG 392 Ca 0.23 -2.12 -0.19 0.00 -1.72 0.00 0.00 55.73 51.93 1jfb s ARG 392 Cb 0.15 -1.71 -0.05 0.00 -0.45 0.00 0.00 34.95 32.88 1jfb s ARG 392 CO 0.12 -0.17 1.02 -0.25 -0.68 0.00 0.00 175.30 175.34 1jfb n ASP 393 N -1.14 1.07 -4.77 0.23 10.43 -1.26 -4.79 116.55 116.32 1jfb n ASP 393 Ca -0.07 0.85 -0.40 0.00 2.57 0.00 0.00 54.79 57.73 1jfb n ASP 393 Cb 0.66 -1.41 0.01 0.00 1.84 0.00 0.00 41.12 42.22 1jfb n ASP 393 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1jfb s VAL 394 N -1.46 2.08 0.00 2.53 0.11 -1.26 -4.80 120.40 117.60 1jfb s VAL 394 Ca 0.74 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.87 1jfb s VAL 394 Cb -0.43 -3.05 0.00 0.00 -1.53 0.00 0.00 36.38 31.37 1jfb s VAL 394 CO 0.48 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.88 1jfb n GLY 395 N 0.54 -0.54 2.96 6.54 0.00 -1.26 -4.68 105.19 108.75 1jfb n GLY 395 Ca 0.03 -0.98 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 1jfb n GLY 395 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jfb s ILE 396 N -2.00 0.84 -0.07 -0.61 1.01 -1.26 -1.28 121.20 117.83 1jfb s ILE 396 Ca 0.00 -0.31 -0.25 0.00 0.00 0.00 0.00 60.65 60.09 1jfb s ILE 396 Cb 0.00 -0.80 -0.25 0.00 0.01 0.00 0.00 42.46 41.42 1jfb s ILE 396 CO 0.00 0.29 0.97 0.58 0.00 0.00 0.00 174.94 176.78 1jfb h VAL 397 N 6.05 1.59 -3.48 2.92 2.07 -1.26 -3.46 116.25 120.69 1jfb h VAL 397 Ca -0.34 -2.05 -0.10 0.00 0.82 0.00 0.00 66.70 65.03 1jfb h VAL 397 Cb 1.17 2.92 -0.17 0.00 -1.52 0.00 0.00 31.29 33.69 1jfb h VAL 397 CO 0.48 0.55 -0.33 1.51 0.02 0.00 0.00 177.57 179.80 1jfb s ASP 398 N -6.32 -0.03 -0.35 0.57 1.47 -1.25 -4.90 116.67 105.86 1jfb s ASP 398 Ca -0.16 -0.33 0.02 0.00 1.18 0.00 0.00 52.55 53.26 1jfb s ASP 398 Cb 0.00 0.33 0.15 0.00 -0.34 0.00 0.00 42.92 43.06 1jfb s ASP 398 CO 0.73 -0.61 0.37 -0.22 0.68 0.00 0.00 175.17 176.12 1jfb s LEU 399 N -2.18 -0.14 0.24 2.11 2.96 -1.26 -4.34 118.68 116.06 1jfb s LEU 399 Ca -0.04 -1.36 -0.31 0.00 -0.22 0.00 0.00 54.13 52.20 1jfb s LEU 399 Cb -0.00 0.59 -0.11 0.00 0.50 0.00 0.00 46.19 47.17 1jfb s LEU 399 CO -0.05 -0.29 1.59 -2.84 -1.32 0.00 0.00 176.35 173.44 1jfb s PRO 400 N 1.66 4.17 0.07 0.98 0.02 -1.26 -0.89 135.00 139.75 1jfb s PRO 400 Ca 0.15 2.48 0.02 0.00 0.02 0.00 0.00 61.00 63.67 1jfb s PRO 400 Cb -0.15 -3.08 -0.03 0.00 0.02 0.00 0.00 34.50 31.26 1jfb s PRO 400 CO -0.10 -0.61 -0.07 0.14 -0.33 0.00 0.00 177.00 176.03 1jfb s VAL 401 N 0.53 0.59 0.34 3.83 -7.23 0.44 -0.34 120.40 118.55 1jfb s VAL 401 Ca 0.67 -1.57 0.06 0.00 -1.81 0.00 0.00 61.98 59.33 1jfb s VAL 401 Cb -0.46 -1.22 -0.07 0.00 0.56 0.00 0.00 36.38 35.19 1jfb s VAL 401 CO 0.40 -0.68 -0.01 0.27 -0.31 0.00 0.00 175.10 174.76 1jfb s ILE 402 N -2.72 1.73 0.00 -0.62 -5.25 -0.46 -1.38 121.20 112.49 1jfb s ILE 402 Ca 0.02 -2.07 0.00 0.00 -0.99 0.00 0.00 60.65 57.61 1jfb s ILE 402 Cb -0.01 -2.73 0.00 0.00 2.95 0.00 0.00 42.46 42.67 1jfb s ILE 402 CO -0.03 -0.12 0.00 2.22 -1.79 0.00 0.00 174.94 175.22