#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjb s LYS 2 N 0.00 0.14 -0.09 0.03 -2.85 -1.26 -2.48 119.74 113.22 1sjb s LYS 2 Ca 0.00 0.66 -0.30 0.00 -1.00 0.00 0.00 55.97 55.33 1sjb s LYS 2 Cb 0.00 -0.10 -0.02 0.00 -2.06 0.00 0.00 37.83 35.65 1sjb s LYS 2 CO 0.00 -0.26 1.17 -1.17 0.10 0.00 0.00 175.35 175.19 1sjb s LEU 3 N 2.11 4.25 -0.15 2.77 2.96 -1.26 -4.08 118.68 125.28 1sjb s LEU 3 Ca -0.01 1.73 -0.05 0.00 -0.22 0.00 0.00 54.13 55.59 1sjb s LEU 3 Cb -0.12 -3.55 -0.24 0.00 0.50 0.00 0.00 46.19 42.78 1sjb s LEU 3 CO -0.08 -0.60 0.24 -1.20 -1.32 0.00 0.00 176.35 173.39 1sjb n SER 4 N 5.45 2.08 0.00 3.68 7.64 0.15 -4.85 113.62 127.76 1sjb n SER 4 Ca 0.11 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1sjb n SER 4 Cb 0.46 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 1sjb n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sjb n GLY 5 N 2.05 -1.55 3.13 0.23 0.00 -1.18 -4.57 105.19 103.30 1sjb n GLY 5 Ca -0.35 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.49 1sjb n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sjb s VAL 6 N -2.35 0.01 -0.21 1.61 1.01 0.71 -0.77 120.40 120.40 1sjb s VAL 6 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 1sjb s VAL 6 Cb 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 1sjb s VAL 6 CO 0.00 -0.02 -0.03 -0.70 0.00 0.00 0.00 175.10 174.34 1sjb s GLU 7 N 0.02 3.44 -0.34 2.72 2.12 -0.78 -0.22 118.70 125.66 1sjb s GLU 7 Ca -0.01 -0.60 -0.12 0.00 0.36 0.00 0.00 54.97 54.60 1sjb s GLU 7 Cb -0.02 -3.03 -0.01 0.00 0.26 0.00 0.00 34.13 31.34 1sjb s GLU 7 CO 0.01 -0.14 0.22 -1.17 -0.54 0.00 0.00 175.26 173.64 1sjb s LEU 8 N 1.34 4.48 0.14 2.70 0.20 0.85 -1.91 118.68 126.48 1sjb s LEU 8 Ca 0.04 -0.53 0.06 0.00 0.69 0.00 0.00 54.13 54.38 1sjb s LEU 8 Cb -0.14 -2.10 -0.04 0.00 -0.43 0.00 0.00 46.19 43.48 1sjb s LEU 8 CO -0.01 -0.26 0.05 -0.13 -0.29 0.00 0.00 176.35 175.71 1sjb s ARG 9 N 1.68 2.64 -0.14 1.98 0.52 -0.98 -0.77 118.95 123.87 1sjb s ARG 9 Ca 0.05 -0.93 0.01 0.00 -0.52 0.00 0.00 55.73 54.34 1sjb s ARG 9 Cb -0.18 -2.53 -0.00 0.00 0.52 0.00 0.00 34.95 32.77 1sjb s ARG 9 CO 0.09 0.49 -0.17 1.03 0.02 0.00 0.00 175.30 176.76 1sjb s ARG 10 N -2.81 3.18 0.11 3.54 0.52 0.29 -2.19 118.95 121.60 1sjb s ARG 10 Ca 0.28 -0.78 0.10 0.00 -0.52 0.00 0.00 55.73 54.82 1sjb s ARG 10 Cb -0.10 -2.56 -0.04 0.00 0.52 0.00 0.00 34.95 32.77 1sjb s ARG 10 CO 0.20 0.05 -0.25 0.08 0.02 0.00 0.00 175.30 175.41 1sjb s VAL 11 N 0.72 2.39 -0.08 3.52 1.01 -0.83 0.24 120.40 127.36 1sjb s VAL 11 Ca -0.08 -1.63 -0.01 0.00 0.00 0.00 0.00 61.98 60.26 1sjb s VAL 11 Cb -0.16 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.20 1sjb s VAL 11 CO 0.01 0.14 -0.03 -1.10 0.00 0.00 0.00 175.10 174.12 1sjb s GLN 12 N -1.95 0.96 -0.10 2.72 -0.21 0.14 -0.60 119.66 120.62 1sjb s GLN 12 Ca 0.15 -0.04 0.00 0.00 0.02 0.00 0.00 55.36 55.48 1sjb s GLN 12 Cb -0.10 -1.18 0.02 0.00 1.00 0.00 0.00 33.01 32.75 1sjb s GLN 12 CO 0.06 -0.27 -0.08 -1.64 -2.12 0.00 0.00 175.29 171.25 1sjb s MET 13 N 1.77 1.47 0.35 2.91 -1.94 -0.64 -4.71 119.30 118.51 1sjb s MET 13 Ca 0.03 -0.26 -0.26 0.00 -1.71 0.00 0.00 55.69 53.50 1sjb s MET 13 Cb -0.13 -1.49 -0.09 0.00 2.01 0.00 0.00 34.83 35.14 1sjb s MET 13 CO -0.06 -0.21 1.05 -2.14 -0.01 0.00 0.00 175.02 173.66 1sjb s PRO 14 N 1.50 4.35 0.01 2.03 0.02 -1.26 0.25 135.00 141.90 1sjb s PRO 14 Ca 0.01 1.59 -0.23 0.00 0.02 0.00 0.00 61.00 62.38 1sjb s PRO 14 Cb -0.13 -2.77 -0.05 0.00 0.02 0.00 0.00 34.50 31.56 1sjb s PRO 14 CO -0.06 0.01 0.70 -0.51 -0.33 0.00 0.00 177.00 176.81 1sjb s LEU 15 N -2.20 4.41 0.26 -5.54 1.02 0.20 -4.65 118.68 112.19 1sjb s LEU 15 Ca 0.53 1.31 -0.01 0.00 0.02 0.00 0.00 54.13 55.97 1sjb s LEU 15 Cb -0.25 -3.10 0.55 0.00 0.02 0.00 0.00 46.19 43.40 1sjb s LEU 15 CO 0.31 0.02 1.73 0.58 0.02 0.00 0.00 176.35 179.02 1sjb h VAL 16 N 4.24 0.64 -2.96 -1.59 2.07 -0.77 -3.40 116.25 114.48 1sjb h VAL 16 Ca -0.44 -0.17 -0.22 0.00 0.82 0.00 0.00 66.70 66.69 1sjb h VAL 16 Cb 1.20 0.10 -0.32 0.00 -1.52 0.00 0.00 31.29 30.75 1sjb h VAL 16 CO 0.71 0.09 -0.53 0.00 0.02 0.00 0.00 177.57 177.87 1sjb s ALA 17 N -5.97 -0.50 0.19 1.67 0.00 -1.26 -5.10 121.76 110.78 1sjb s ALA 17 Ca -0.12 0.91 -0.32 0.00 0.00 0.00 0.00 51.96 52.43 1sjb s ALA 17 Cb 0.22 -0.84 -0.16 0.00 0.00 0.00 0.00 23.12 22.35 1sjb s ALA 17 CO 0.77 -0.45 1.04 -2.30 0.00 0.00 0.00 175.76 174.82 1sjb n PRO 18 N 4.90 0.97 -3.75 0.00 -0.02 -1.26 -4.94 135.00 130.90 1sjb n PRO 18 Ca -0.14 0.34 -0.37 0.00 -2.02 0.00 0.00 63.50 61.32 1sjb n PRO 18 Cb 0.51 -1.75 -0.12 0.00 -0.02 0.00 0.00 33.50 32.12 1sjb n PRO 18 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1sjb s PHE 19 N -0.45 3.12 -0.26 6.00 5.36 0.65 -4.84 117.98 127.56 1sjb s PHE 19 Ca 0.70 -0.30 -0.03 0.00 -0.96 0.00 0.00 56.93 56.34 1sjb s PHE 19 Cb -0.86 -2.25 0.02 0.00 -0.34 0.00 0.00 43.02 39.59 1sjb s PHE 19 CO 0.54 -0.29 -0.02 0.50 -1.46 0.00 0.00 175.22 174.50 1sjb s ARG 20 N 1.54 2.94 0.03 10.12 3.52 -1.26 0.55 118.95 136.38 1sjb s ARG 20 Ca 0.06 -0.92 0.00 0.00 -0.13 0.00 0.00 55.73 54.74 1sjb s ARG 20 Cb -0.15 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 1sjb s ARG 20 CO 0.05 -0.40 0.03 0.25 -0.81 0.00 0.00 175.30 174.41 1sjb n THR 21 N 4.73 0.00 0.86 4.11 -2.24 0.25 -0.55 114.28 121.45 1sjb n THR 21 Ca -0.16 -0.10 0.13 0.00 -2.27 0.00 0.00 64.05 61.66 1sjb n THR 21 Cb 0.47 -0.76 0.54 0.00 -2.10 0.00 0.00 70.33 68.49 1sjb n THR 21 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1sjb n SER 22 N -2.55 0.22 -0.18 3.42 3.41 -1.26 -2.44 113.62 114.24 1sjb n SER 22 Ca 0.00 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.25 1sjb n SER 22 Cb 0.03 -0.58 0.01 0.00 -0.26 0.00 0.00 64.21 63.41 1sjb n SER 22 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1sjb n PHE 23 N -1.71 0.00 0.00 7.33 -1.74 -1.26 -5.02 117.46 115.06 1sjb n PHE 23 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.95 1sjb n PHE 23 Cb 0.35 -0.05 0.00 0.00 1.52 0.00 0.00 39.48 41.30 1sjb n PHE 23 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1sjb n GLY 24 N 1.46 1.01 3.46 4.97 0.00 -1.02 -5.05 105.19 110.02 1sjb n GLY 24 Ca 0.07 -1.93 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 1sjb n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sjb s THR 25 N -1.54 3.49 -0.06 2.61 2.01 -1.25 0.87 115.64 121.77 1sjb s THR 25 Ca 0.00 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.51 1sjb s THR 25 Cb 0.00 -2.48 0.01 0.00 0.01 0.00 0.00 72.50 70.04 1sjb s THR 25 CO 0.00 0.53 -0.13 -1.58 -0.69 0.00 0.00 174.62 172.75 1sjb s GLN 26 N 0.12 1.69 -0.13 4.92 0.74 0.19 -4.90 119.66 122.29 1sjb s GLN 26 Ca -0.04 -0.45 0.09 0.00 0.05 0.00 0.00 55.36 55.02 1sjb s GLN 26 Cb -0.14 -1.41 -0.15 0.00 1.10 0.00 0.00 33.01 32.41 1sjb s GLN 26 CO 0.04 0.08 0.01 0.43 -0.55 0.00 0.00 175.29 175.29 1sjb n SER 27 N 3.64 2.03 -4.34 6.67 7.64 -1.26 0.24 113.62 128.24 1sjb n SER 27 Ca -0.22 -0.02 -0.22 0.00 1.01 0.00 0.00 58.87 59.43 1sjb n SER 27 Cb 0.52 0.62 -0.11 0.00 -1.01 0.00 0.00 64.21 64.23 1sjb n SER 27 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1sjb s VAL 28 N -2.31 1.84 -0.26 0.44 1.01 -1.26 0.62 120.40 120.47 1sjb s VAL 28 Ca -0.09 -1.92 0.03 0.00 0.00 0.00 0.00 61.98 60.00 1sjb s VAL 28 Cb 0.04 -1.85 0.06 0.00 0.00 0.00 0.00 36.38 34.63 1sjb s VAL 28 CO 0.49 -0.31 -0.10 -0.60 0.00 0.00 0.00 175.10 174.58 1sjb s ARG 29 N -2.78 2.23 -0.10 2.72 3.00 0.14 -4.89 118.95 119.26 1sjb s ARG 29 Ca 0.16 -1.36 -0.17 0.00 -1.00 0.00 0.00 55.73 53.36 1sjb s ARG 29 Cb -0.06 -2.90 -0.05 0.00 0.00 0.00 0.00 34.95 31.94 1sjb s ARG 29 CO 0.07 -0.58 0.43 -1.21 0.00 0.00 0.00 175.30 174.01 1sjb s GLU 30 N 1.10 4.24 0.31 5.12 2.02 -1.26 -1.62 118.70 128.61 1sjb s GLU 30 Ca -0.08 0.38 0.07 0.00 0.02 0.00 0.00 54.97 55.35 1sjb s GLU 30 Cb -0.20 -3.39 -0.06 0.00 0.10 0.00 0.00 34.13 30.58 1sjb s GLU 30 CO -0.05 0.28 -0.04 -0.51 0.02 0.00 0.00 175.26 174.96 1sjb s LEU 31 N 0.24 2.51 -0.19 1.80 1.43 0.23 -4.54 118.68 120.16 1sjb s LEU 31 Ca 0.24 -1.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.11 1sjb s LEU 31 Cb -0.15 -0.68 0.03 0.00 0.03 0.00 0.00 46.19 45.42 1sjb s LEU 31 CO 0.10 -0.37 -0.15 -0.22 0.23 0.00 0.00 176.35 175.94 1sjb s LEU 32 N -3.50 2.24 0.18 1.79 0.20 -1.26 -1.97 118.68 116.36 1sjb s LEU 32 Ca 0.31 -0.77 0.09 0.00 0.69 0.00 0.00 54.13 54.45 1sjb s LEU 32 Cb 0.05 -1.35 -0.04 0.00 -0.43 0.00 0.00 46.19 44.42 1sjb s LEU 32 CO 0.14 -0.08 -0.09 -0.76 -0.29 0.00 0.00 176.35 175.27 1sjb s LEU 33 N 1.34 3.00 -0.03 -0.68 1.43 -0.93 -1.37 118.68 121.45 1sjb s LEU 33 Ca 0.01 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 1sjb s LEU 33 Cb -0.15 -1.67 0.01 0.00 0.03 0.00 0.00 46.19 44.41 1sjb s LEU 33 CO -0.10 0.10 -0.07 -0.76 0.23 0.00 0.00 176.35 175.75 1sjb s LEU 34 N -2.87 1.69 -0.42 1.79 1.43 0.19 -2.32 118.68 118.17 1sjb s LEU 34 Ca 0.25 -0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1sjb s LEU 34 Cb -0.09 -0.44 0.11 0.00 0.03 0.00 0.00 46.19 45.81 1sjb s LEU 34 CO 0.16 0.03 0.18 -0.60 0.23 0.00 0.00 176.35 176.35 1sjb s ARG 35 N 0.35 1.89 0.14 1.70 3.52 -0.80 -0.10 118.95 125.65 1sjb s ARG 35 Ca -0.05 -1.99 -0.30 0.00 -0.13 0.00 0.00 55.73 53.27 1sjb s ARG 35 Cb -0.09 -3.46 -0.07 0.00 -1.56 0.00 0.00 34.95 29.78 1sjb s ARG 35 CO 0.00 -1.04 1.05 0.00 -0.81 0.00 0.00 175.30 174.49 1sjb s ALA 36 N 0.81 3.32 -0.23 6.12 0.00 0.93 -1.87 121.76 130.85 1sjb s ALA 36 Ca 0.11 0.71 -0.05 0.00 0.00 0.00 0.00 51.96 52.73 1sjb s ALA 36 Cb -0.22 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1sjb s ALA 36 CO -0.05 -0.14 0.00 0.08 0.00 0.00 0.00 175.76 175.65 1sjb s VAL 37 N -0.07 3.76 0.13 0.00 1.01 0.05 -0.16 120.40 125.13 1sjb s VAL 37 Ca 0.49 -0.36 0.09 0.00 0.00 0.00 0.00 61.98 62.19 1sjb s VAL 37 Cb -0.27 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1sjb s VAL 37 CO 0.32 0.40 -0.21 0.42 0.00 0.00 0.00 175.10 176.03 1sjb s THR 38 N 1.46 1.85 0.56 3.92 -4.23 0.48 0.30 115.64 119.97 1sjb s THR 38 Ca 0.05 -1.72 0.34 0.00 -1.18 0.00 0.00 61.69 59.18 1sjb s THR 38 Cb -0.15 -1.74 0.51 0.00 1.34 0.00 0.00 72.50 72.46 1sjb s THR 38 CO -0.00 -0.13 1.76 -0.65 -0.54 0.00 0.00 174.62 175.06 1sjb h PRO 39 N 3.72 0.00 0.00 3.99 0.11 -1.97 -2.53 132.00 135.32 1sjb h PRO 39 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1sjb h PRO 39 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1sjb h PRO 39 CO 0.44 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.23 1sjb n ALA 40 N -2.63 -0.10 -3.00 -0.75 0.00 -1.26 -5.07 120.51 107.71 1sjb n ALA 40 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1sjb n ALA 40 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.63 1sjb n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sjb n GLY 41 N 1.34 3.76 3.77 0.00 0.00 -0.96 -5.14 105.19 107.96 1sjb n GLY 41 Ca 0.00 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 1sjb n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sjb s GLU 42 N 0.95 2.53 0.04 1.61 2.02 -1.26 -0.39 118.70 124.19 1sjb s GLU 42 Ca 0.00 -1.41 0.01 0.00 0.02 0.00 0.00 54.97 53.59 1sjb s GLU 42 Cb 0.00 -2.30 -0.02 0.00 0.10 0.00 0.00 34.13 31.90 1sjb s GLU 42 CO 0.00 0.15 -0.06 0.20 0.02 0.00 0.00 175.26 175.57 1sjb s GLY 43 N -3.88 0.42 0.01 -1.39 0.00 0.77 -4.10 107.32 99.15 1sjb s GLY 43 Ca 0.38 -0.71 0.06 0.00 0.00 0.00 0.00 44.72 44.45 1sjb s GLY 43 CO 0.24 -0.77 -0.19 -0.98 0.00 0.00 0.00 173.10 171.40 1sjb s TRP 44 N -1.43 2.55 -0.01 1.90 0.52 -1.25 -0.05 118.94 121.17 1sjb s TRP 44 Ca -0.12 -0.27 -0.03 0.00 0.02 0.00 0.00 56.10 55.71 1sjb s TRP 44 Cb -0.10 -1.51 -0.00 0.00 -1.15 0.00 0.00 33.47 30.71 1sjb s TRP 44 CO -0.00 0.19 0.05 0.20 0.02 0.00 0.00 176.95 177.41 1sjb s GLY 45 N -1.13 0.05 0.02 0.98 0.00 0.86 -3.14 107.32 104.97 1sjb s GLY 45 Ca 0.13 -0.10 0.07 0.00 0.00 0.00 0.00 44.72 44.82 1sjb s GLY 45 CO 0.03 -0.16 -0.20 1.85 0.00 0.00 0.00 173.10 174.62 1sjb s GLU 46 N -0.68 1.43 -0.18 2.90 2.12 -1.26 0.53 118.70 123.56 1sjb s GLU 46 Ca -0.08 -0.85 -0.03 0.00 0.36 0.00 0.00 54.97 54.37 1sjb s GLU 46 Cb -0.05 -1.49 -0.01 0.00 0.26 0.00 0.00 34.13 32.84 1sjb s GLU 46 CO 0.00 0.39 -0.07 0.00 -0.54 0.00 0.00 175.26 175.04 1sjb n VAL 48 N 4.22 0.05 -1.14 0.00 0.24 -1.26 -4.19 118.33 116.24 1sjb n VAL 48 Ca -0.18 0.01 -0.31 0.00 -2.04 0.00 0.00 64.34 61.82 1sjb n VAL 48 Cb 0.52 -0.70 0.11 0.00 -1.47 0.00 0.00 33.84 32.30 1sjb n VAL 48 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1sjb s THR 49 N -2.06 2.98 0.32 3.34 -4.23 -1.26 -5.03 115.64 109.70 1sjb s THR 49 Ca 0.28 0.32 0.01 0.00 -1.18 0.00 0.00 61.69 61.12 1sjb s THR 49 Cb 0.13 -2.72 -0.00 0.00 1.34 0.00 0.00 72.50 71.25 1sjb s THR 49 CO 0.23 -0.42 0.04 0.23 -0.54 0.00 0.00 174.62 174.17 1sjb n MET 50 N -3.73 1.00 -0.15 3.99 0.00 -1.26 -4.67 117.12 112.29 1sjb n MET 50 Ca 0.09 -2.43 -0.10 0.00 0.00 0.00 0.00 57.70 55.27 1sjb n MET 50 Cb 0.53 0.89 -0.05 0.00 0.00 0.00 0.00 33.22 34.59 1sjb n MET 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1sjb h ALA 51 N 1.28 -0.43 -1.28 3.04 0.00 -1.94 0.59 119.26 120.52 1sjb h ALA 51 Ca -0.26 0.07 -0.59 0.00 0.00 0.00 0.00 54.91 54.13 1sjb h ALA 51 Cb 0.84 0.93 -0.09 0.00 0.00 0.00 0.00 17.79 19.47 1sjb h ALA 51 CO 0.42 -0.87 -0.49 0.20 0.00 0.00 0.00 179.25 178.51 1sjb s GLY 52 N -2.72 2.47 -1.22 0.00 0.00 -1.26 -4.01 107.32 100.59 1sjb s GLY 52 Ca -0.14 -1.77 -0.10 0.00 0.00 0.00 0.00 44.72 42.71 1sjb s GLY 52 CO 0.65 -1.99 1.63 -1.55 0.00 0.00 0.00 173.10 171.85 1sjb n PRO 53 N -1.27 3.69 -0.11 2.90 -0.04 -1.26 -4.60 135.00 134.31 1sjb n PRO 53 Ca -0.04 -3.86 -0.16 0.00 -0.04 0.00 0.00 63.50 59.40 1sjb n PRO 53 Cb 0.65 -2.86 -0.11 0.00 -0.04 0.00 0.00 33.50 31.15 1sjb n PRO 53 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1sjb n LEU 54 N 3.82 2.78 0.05 1.53 4.77 -1.26 -4.60 117.00 124.09 1sjb n LEU 54 Ca 0.35 -0.12 -0.22 0.00 -0.03 0.00 0.00 56.01 56.00 1sjb n LEU 54 Cb 0.38 -0.73 -0.15 0.00 -2.33 0.00 0.00 43.42 40.59 1sjb n LEU 54 CO 0.72 0.86 -0.26 0.22 -1.33 0.00 0.00 177.39 177.61 1sjb h TYR 55 N 0.00 0.60 -4.43 -1.77 5.03 -1.90 -3.48 116.97 111.03 1sjb h TYR 55 Ca -0.52 -0.44 -0.26 0.00 2.58 0.00 0.00 58.73 60.09 1sjb h TYR 55 Cb 1.82 -0.02 -0.12 0.00 1.55 0.00 0.00 36.73 39.95 1sjb h TYR 55 CO 0.02 1.49 -0.44 -1.54 -1.32 0.00 0.00 178.16 176.38 1sjb s SER 56 N -7.14 0.56 0.37 -2.11 1.04 -1.26 -5.04 113.70 100.11 1sjb s SER 56 Ca -0.16 -1.41 0.27 0.00 0.48 0.00 0.00 55.95 55.14 1sjb s SER 56 Cb 0.03 0.50 1.25 0.00 0.10 0.00 0.00 66.02 67.90 1sjb s SER 56 CO 0.83 -1.01 1.82 0.77 0.98 0.00 0.00 173.24 176.62 1sjb h SER 57 N 2.37 0.00 -3.44 7.02 4.64 -1.94 -3.38 113.55 118.82 1sjb h SER 57 Ca -0.31 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.47 1sjb h SER 57 Cb 1.24 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.30 1sjb h SER 57 CO 0.44 0.00 0.15 -1.61 -0.87 0.00 0.00 176.83 174.94 1sjb s GLU 58 N -3.52 4.50 0.05 4.77 2.02 -1.26 -4.73 118.70 120.53 1sjb s GLU 58 Ca 0.01 1.07 -0.04 0.00 0.02 0.00 0.00 54.97 56.03 1sjb s GLU 58 Cb 0.09 -3.32 -0.02 0.00 0.10 0.00 0.00 34.13 30.98 1sjb s GLU 58 CO 0.37 0.40 0.05 1.52 0.02 0.00 0.00 175.26 177.63 1sjb s TYR 59 N -0.49 0.31 0.17 1.61 1.13 -1.26 -4.38 117.35 114.44 1sjb s TYR 59 Ca 0.37 -0.72 -0.29 0.00 -1.41 0.00 0.00 57.07 55.02 1sjb s TYR 59 Cb -0.21 -0.22 -0.03 0.00 -1.10 0.00 0.00 41.96 40.39 1sjb s TYR 59 CO 0.24 -0.38 1.54 -0.91 -2.51 0.00 0.00 175.55 173.53 1sjb h ASN 60 N 3.45 -2.01 -0.61 -0.18 2.35 0.07 0.21 115.58 118.86 1sjb h ASN 60 Ca -0.33 0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1sjb h ASN 60 Cb 1.17 0.90 -0.03 0.00 0.05 0.00 0.00 38.32 40.41 1sjb h ASN 60 CO 0.56 -0.26 0.38 0.44 -1.65 0.00 0.00 177.43 176.89 1sjb h ASP 61 N -0.06 0.73 -0.47 5.81 3.32 -1.84 0.93 116.42 124.83 1sjb h ASP 61 Ca 0.17 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 1sjb h ASP 61 Cb 0.46 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1sjb h ASP 61 CO -0.89 0.55 0.12 1.23 -1.72 0.00 0.00 179.24 178.53 1sjb h GLY 62 N 0.87 0.81 1.12 2.75 0.00 -1.45 -2.26 103.07 104.91 1sjb h GLY 62 Ca 0.22 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 1sjb h GLY 62 CO -0.04 0.47 -0.00 0.00 0.00 0.00 0.00 176.54 176.96 1sjb h ALA 63 N 0.98 0.86 -0.48 3.60 0.00 -0.29 -2.20 119.26 121.74 1sjb h ALA 63 Ca 0.15 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1sjb h ALA 63 Cb 0.32 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1sjb h ALA 63 CO 0.00 0.67 0.31 1.49 0.00 0.00 0.00 179.25 181.71 1sjb h GLU 64 N 0.96 0.63 -0.07 0.00 4.81 -0.63 -0.81 114.58 119.47 1sjb h GLU 64 Ca 0.17 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1sjb h GLU 64 Cb 0.56 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1sjb h GLU 64 CO 0.03 0.43 0.04 1.25 -0.73 0.00 0.00 179.01 180.03 1sjb h HIS 65 N 0.64 0.10 -0.16 0.92 2.76 -1.26 -0.97 115.15 117.18 1sjb h HIS 65 Ca 0.17 -0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.23 1sjb h HIS 65 Cb -0.05 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 1sjb h HIS 65 CO -0.04 0.16 -0.40 -0.24 -1.30 0.00 0.00 177.93 176.11 1sjb h VAL 66 N 0.01 1.31 0.22 5.26 3.04 -1.30 -0.21 116.25 124.57 1sjb h VAL 66 Ca 0.02 -1.52 -0.01 0.00 -1.01 0.00 0.00 66.70 64.18 1sjb h VAL 66 Cb 0.10 1.63 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 1sjb h VAL 66 CO -0.00 0.46 -0.11 -0.07 -1.01 0.00 0.00 177.57 176.84 1sjb h LEU 67 N 0.29 -0.25 0.35 3.16 3.38 -0.94 0.39 115.31 121.70 1sjb h LEU 67 Ca 0.03 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1sjb h LEU 67 Cb 0.84 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 1sjb h LEU 67 CO 0.07 -0.15 -0.40 -0.09 0.09 0.00 0.00 178.44 177.96 1sjb h ARG 68 N -0.34 -0.76 0.00 1.13 2.43 -1.05 1.40 114.38 117.20 1sjb h ARG 68 Ca -0.03 0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 1sjb h ARG 68 Cb 0.26 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1sjb h ARG 68 CO 0.05 -0.50 -0.91 0.45 -1.51 0.00 0.00 179.97 177.54 1sjb h HIS 69 N -0.78 0.00 0.00 2.20 3.86 -1.05 -3.39 115.15 115.98 1sjb h HIS 69 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1sjb h HIS 69 Cb 0.71 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.18 1sjb h HIS 69 CO -0.24 0.30 -0.62 0.66 0.86 0.00 0.00 177.93 178.89 1sjb n TYR 70 N -2.92 -0.12 0.25 2.45 4.02 0.11 -4.79 117.16 116.16 1sjb n TYR 70 Ca -0.02 0.02 -0.11 0.00 -0.01 0.00 0.00 57.90 57.77 1sjb n TYR 70 Cb 0.68 0.11 -0.06 0.00 -0.02 0.00 0.00 39.34 40.06 1sjb n TYR 70 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1sjb h LEU 71 N 0.00 -0.59 -0.42 7.72 3.38 -0.33 -2.45 115.31 122.63 1sjb h LEU 71 Ca 0.00 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.04 1sjb h LEU 71 Cb 0.62 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.45 1sjb h LEU 71 CO 0.00 -0.17 0.01 0.40 0.09 0.00 0.00 178.44 178.76 1sjb h ILE 72 N -1.15 0.69 -0.38 1.22 2.04 0.17 -1.62 117.51 118.47 1sjb h ILE 72 Ca -0.07 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.76 1sjb h ILE 72 Cb 0.56 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1sjb h ILE 72 CO 0.12 0.02 0.26 1.55 0.00 0.00 0.00 178.15 180.09 1sjb h PRO 73 N 0.12 0.50 -0.44 2.37 0.14 -1.71 -1.97 132.00 131.00 1sjb h PRO 73 Ca 0.21 -0.03 -0.04 0.00 0.14 0.00 0.00 66.00 66.28 1sjb h PRO 73 Cb 0.30 -0.11 -0.02 0.00 0.14 0.00 0.00 31.00 31.30 1sjb h PRO 73 CO -0.34 0.33 0.12 0.00 0.14 0.00 0.00 178.00 178.25 1sjb h ALA 74 N 1.76 1.39 0.01 -0.56 0.00 -0.78 -2.32 119.26 118.76 1sjb h ALA 74 Ca 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1sjb h ALA 74 Cb -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1sjb h ALA 74 CO -0.03 0.44 -0.13 -0.07 0.00 0.00 0.00 179.25 179.46 1sjb h LEU 75 N 0.64 0.09 -0.87 0.00 3.38 -1.26 -3.26 115.31 114.03 1sjb h LEU 75 Ca 0.15 -0.88 0.20 0.00 0.09 0.00 0.00 57.88 57.44 1sjb h LEU 75 Cb 0.21 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 40.82 1sjb h LEU 75 CO -0.01 0.96 0.39 -0.07 0.09 0.00 0.00 178.44 179.80 1sjb h LEU 76 N -0.77 0.35 -2.49 1.67 3.38 -1.22 0.22 115.31 116.45 1sjb h LEU 76 Ca -0.02 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1sjb h LEU 76 Cb 0.99 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1sjb h LEU 76 CO 0.02 0.04 -0.02 0.00 0.09 0.00 0.00 178.44 178.58 1sjb h ALA 77 N 1.67 1.14 -2.76 1.53 0.00 -1.49 -3.44 119.26 115.90 1sjb h ALA 77 Ca 0.53 -0.02 -0.50 0.00 0.00 0.00 0.00 54.91 54.92 1sjb h ALA 77 Cb 0.94 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1sjb h ALA 77 CO -0.49 0.03 0.44 0.00 0.00 0.00 0.00 179.25 179.22 1sjb s ALA 78 N -4.17 3.36 0.00 0.00 0.00 0.78 -5.01 121.76 116.72 1sjb s ALA 78 Ca -0.04 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1sjb s ALA 78 Cb 0.13 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1sjb s ALA 78 CO 0.48 -0.06 0.67 -1.91 0.00 0.00 0.00 175.76 174.95 1sjb n GLU 79 N 1.16 0.00 -3.52 0.00 0.00 -1.26 -4.77 120.64 112.25 1sjb n GLU 79 Ca -0.01 0.17 -0.31 0.00 0.00 0.00 0.00 57.16 57.01 1sjb n GLU 79 Cb 0.46 -1.17 -0.05 0.00 0.00 0.00 0.00 31.44 30.68 1sjb n GLU 79 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1sjb s ASP 80 N -2.00 6.54 -0.06 4.31 2.15 -1.26 -4.68 116.67 121.66 1sjb s ASP 80 Ca 0.00 0.74 -0.00 0.00 0.43 0.00 0.00 52.55 53.72 1sjb s ASP 80 Cb 0.00 -2.15 0.03 0.00 -0.30 0.00 0.00 42.92 40.49 1sjb s ASP 80 CO 0.00 -0.03 -0.02 -0.63 -0.17 0.00 0.00 175.17 174.31 1sjb s ILE 81 N -1.78 0.49 -0.05 4.11 1.01 -1.04 -4.99 121.20 118.95 1sjb s ILE 81 Ca 0.44 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 61.12 1sjb s ILE 81 Cb -0.12 -0.58 0.00 0.00 0.01 0.00 0.00 42.46 41.77 1sjb s ILE 81 CO 0.24 0.25 -0.16 -0.89 0.00 0.00 0.00 174.94 174.38 1sjb s THR 82 N 1.52 1.37 0.27 2.92 2.01 -1.26 -3.16 115.64 119.30 1sjb s THR 82 Ca -0.02 -0.66 -0.05 0.00 0.31 0.00 0.00 61.69 61.27 1sjb s THR 82 Cb -0.13 -1.19 0.42 0.00 0.01 0.00 0.00 72.50 71.61 1sjb s THR 82 CO -0.03 0.40 1.46 0.00 -0.69 0.00 0.00 174.62 175.75 1sjb n ALA 83 N 3.34 0.28 -0.17 7.40 0.00 -1.26 0.11 120.51 130.20 1sjb n ALA 83 Ca -0.19 1.02 -0.07 0.00 0.00 0.00 0.00 53.44 54.20 1sjb n ALA 83 Cb 0.53 -0.64 -0.01 0.00 0.00 0.00 0.00 19.45 19.32 1sjb n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sjb h ALA 84 N 1.87 -0.17 0.00 0.00 0.00 -1.96 0.12 119.26 119.12 1sjb h ALA 84 Ca 0.47 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1sjb h ALA 84 Cb 0.79 0.80 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1sjb h ALA 84 CO -0.94 -0.74 0.00 0.87 0.00 0.00 0.00 179.25 178.44 1sjb h LYS 85 N -0.22 0.00 -0.71 0.00 1.57 0.33 -2.79 116.57 114.75 1sjb h LYS 85 Ca 0.20 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.01 1sjb h LYS 85 Cb 0.55 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 1sjb h LYS 85 CO -0.63 0.00 0.44 0.28 -0.57 0.00 0.00 179.45 178.97 1sjb h VAL 86 N 0.00 1.09 0.54 0.50 2.07 0.20 -0.30 116.25 120.34 1sjb h VAL 86 Ca 0.00 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1sjb h VAL 86 Cb 0.19 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1sjb h VAL 86 CO 0.00 0.16 -0.51 0.74 0.02 0.00 0.00 177.57 177.98 1sjb h THR 87 N 0.86 0.01 -0.72 2.57 2.02 -1.62 -0.22 112.91 115.81 1sjb h THR 87 Ca 0.29 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.59 1sjb h THR 87 Cb 0.04 0.01 -0.09 0.00 -1.74 0.00 0.00 68.15 66.37 1sjb h THR 87 CO -0.12 0.00 0.29 -0.65 0.37 0.00 0.00 175.52 175.41 1sjb h PRO 88 N -1.04 0.45 -0.97 6.66 0.11 -1.72 -0.64 132.00 134.84 1sjb h PRO 88 Ca -0.07 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.06 1sjb h PRO 88 Cb 0.89 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 31.84 1sjb h PRO 88 CO -0.05 0.30 0.63 -0.07 -0.21 0.00 0.00 178.00 178.60 1sjb h LEU 89 N 0.46 1.03 -2.84 2.35 3.38 -0.51 -2.69 115.31 116.50 1sjb h LEU 89 Ca 0.38 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1sjb h LEU 89 Cb 0.53 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1sjb h LEU 89 CO -0.36 0.68 0.00 0.18 0.09 0.00 0.00 178.44 179.03 1sjb n LEU 90 N -4.49 4.01 0.26 1.67 4.77 -0.14 -4.47 117.00 118.60 1sjb n LEU 90 Ca 0.14 -2.08 0.08 0.00 -0.03 0.00 0.00 56.01 54.12 1sjb n LEU 90 Cb 0.13 -0.48 0.64 0.00 -2.33 0.00 0.00 43.42 41.38 1sjb n LEU 90 CO 0.33 0.94 1.03 0.00 -1.33 0.00 0.00 177.39 178.36 1sjb h ALA 91 N 4.03 1.84 -0.06 -1.18 0.00 -0.81 -1.64 119.26 121.44 1sjb h ALA 91 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1sjb h ALA 91 Cb 1.05 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1sjb h ALA 91 CO 0.04 0.06 0.07 1.57 0.00 0.00 0.00 179.25 180.99 1sjb h LYS 92 N 0.00 0.00 -5.68 0.00 2.10 -1.79 -3.39 116.57 107.81 1sjb h LYS 92 Ca -0.00 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 58.06 1sjb h LYS 92 Cb 0.09 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.33 1sjb h LYS 92 CO 0.01 0.00 0.13 -0.06 -2.00 0.00 0.00 179.45 177.52 1sjb s PHE 93 N -4.71 3.38 0.24 0.07 0.40 -0.62 -5.04 117.98 111.71 1sjb s PHE 93 Ca -0.05 0.95 -0.30 0.00 -0.60 0.00 0.00 56.93 56.93 1sjb s PHE 93 Cb 0.16 -2.81 -0.09 0.00 0.51 0.00 0.00 43.02 40.79 1sjb s PHE 93 CO 0.57 -0.17 0.99 0.15 0.70 0.00 0.00 175.22 177.47 1sjb s LYS 94 N 1.88 4.78 4.44 0.44 -0.14 -1.26 -4.86 119.74 125.02 1sjb s LYS 94 Ca 0.29 1.59 0.00 0.00 -1.36 0.00 0.00 55.97 56.49 1sjb s LYS 94 Cb -0.16 -3.26 0.00 0.00 -1.68 0.00 0.00 37.83 32.74 1sjb s LYS 94 CO 0.11 0.40 0.00 0.41 -0.76 0.00 0.00 175.35 175.51 1sjb n GLY 95 N 1.45 1.19 2.69 -3.33 0.00 -1.26 -4.95 105.19 100.99 1sjb n GLY 95 Ca -0.01 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 1sjb n GLY 95 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1sjb n HIS 96 N 7.75 -1.46 -0.06 1.61 8.25 -1.26 -4.93 115.22 125.12 1sjb n HIS 96 Ca 0.00 0.22 -0.09 0.00 -0.26 0.00 0.00 57.72 57.59 1sjb n HIS 96 Cb 0.00 -4.00 -0.03 0.00 1.12 0.00 0.00 29.99 27.08 1sjb n HIS 96 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sjb h ARG 97 N -0.58 -0.32 -0.36 -0.41 3.08 -1.90 0.15 114.38 114.05 1sjb h ARG 97 Ca -0.49 0.02 0.07 0.00 0.07 0.00 0.00 59.98 59.66 1sjb h ARG 97 Cb 1.35 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 31.40 1sjb h ARG 97 CO 0.55 -0.21 -0.09 0.52 -1.07 0.00 0.00 179.97 179.67 1sjb h MET 98 N -0.33 -0.00 0.45 0.04 2.86 -1.80 0.32 114.93 116.47 1sjb h MET 98 Ca 0.13 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1sjb h MET 98 Cb 0.55 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1sjb h MET 98 CO -0.46 -0.00 -0.39 0.00 1.06 0.00 0.00 176.91 177.12 1sjb h ALA 99 N 1.35 -0.88 -0.97 6.32 0.00 -1.73 -1.96 119.26 121.38 1sjb h ALA 99 Ca 0.17 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.06 1sjb h ALA 99 Cb 0.26 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 1sjb h ALA 99 CO -0.37 -1.03 0.61 0.87 0.00 0.00 0.00 179.25 179.34 1sjb h LYS 100 N -0.84 0.85 -0.78 0.00 1.57 -0.33 -2.09 116.57 114.96 1sjb h LYS 100 Ca -0.04 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1sjb h LYS 100 Cb 0.73 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 1sjb h LYS 100 CO -0.03 0.56 0.47 0.78 -0.57 0.00 0.00 179.45 180.66 1sjb h GLY 101 N 0.88 1.13 0.90 3.86 0.00 0.24 -1.03 103.07 109.05 1sjb h GLY 101 Ca 0.49 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 1sjb h GLY 101 CO -0.26 0.46 0.06 0.00 0.00 0.00 0.00 176.54 176.80 1sjb h ALA 102 N 1.25 0.41 -0.73 3.60 0.00 -0.75 -0.53 119.26 122.51 1sjb h ALA 102 Ca 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1sjb h ALA 102 Cb -0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1sjb h ALA 102 CO -0.05 0.10 0.43 1.25 0.00 0.00 0.00 179.25 180.98 1sjb h LEU 103 N 0.34 0.88 -0.48 0.00 5.85 -1.10 0.14 115.31 120.94 1sjb h LEU 103 Ca 0.10 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1sjb h LEU 103 Cb 0.33 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1sjb h LEU 103 CO 0.00 0.69 0.26 -0.08 -0.34 0.00 0.00 178.44 178.98 1sjb h GLU 104 N 0.99 0.68 -0.03 1.25 4.81 -1.04 -0.35 114.58 120.89 1sjb h GLU 104 Ca 0.26 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.44 1sjb h GLU 104 Cb -0.02 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 1sjb h GLU 104 CO -0.05 0.54 -0.18 1.98 -0.73 0.00 0.00 179.01 180.57 1sjb h MET 105 N 0.64 -0.27 -0.72 1.92 4.05 -0.26 0.50 114.93 120.79 1sjb h MET 105 Ca 0.17 0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.70 1sjb h MET 105 Cb 0.06 0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 30.85 1sjb h MET 105 CO -0.03 -0.18 0.36 0.00 0.23 0.00 0.00 176.91 177.29 1sjb h ALA 106 N 0.66 1.00 0.46 0.39 0.00 -0.30 0.22 119.26 121.68 1sjb h ALA 106 Ca 0.07 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1sjb h ALA 106 Cb 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1sjb h ALA 106 CO -0.19 -0.05 -0.22 0.28 0.00 0.00 0.00 179.25 179.07 1sjb h VAL 107 N 0.60 0.49 -0.31 0.00 2.07 -0.36 -3.08 116.25 115.67 1sjb h VAL 107 Ca 0.36 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1sjb h VAL 107 Cb 0.38 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 1sjb h VAL 107 CO -0.28 0.06 -0.46 0.25 0.02 0.00 0.00 177.57 177.17 1sjb h LEU 108 N -0.85 -1.52 -0.97 2.57 5.85 0.40 -0.72 115.31 120.07 1sjb h LEU 108 Ca -0.06 0.20 0.28 0.00 0.84 0.00 0.00 57.88 59.14 1sjb h LEU 108 Cb 0.57 0.62 -0.18 0.00 0.37 0.00 0.00 40.66 42.04 1sjb h LEU 108 CO 0.10 -0.34 0.11 -0.78 -0.34 0.00 0.00 178.44 177.19 1sjb h ASP 109 N -0.35 -0.34 0.67 1.25 3.58 -1.02 0.15 116.42 120.36 1sjb h ASP 109 Ca 0.06 0.27 -0.03 0.00 0.42 0.00 0.00 57.03 57.74 1sjb h ASP 109 Cb 0.50 0.44 0.01 0.00 1.72 0.00 0.00 39.33 41.99 1sjb h ASP 109 CO -0.47 -0.34 -0.34 0.00 -2.88 0.00 0.00 179.24 175.21 1sjb h ALA 110 N 1.96 -1.23 -0.86 -0.78 0.00 -1.08 -0.33 119.26 116.93 1sjb h ALA 110 Ca 0.62 -0.20 0.22 0.00 0.00 0.00 0.00 54.91 55.55 1sjb h ALA 110 Cb 1.32 0.38 -0.15 0.00 0.00 0.00 0.00 17.79 19.34 1sjb h ALA 110 CO -0.87 -1.17 0.09 1.49 0.00 0.00 0.00 179.25 178.78 1sjb h GLU 111 N -0.92 0.11 0.23 0.00 4.81 -0.15 0.15 114.58 118.81 1sjb h GLU 111 Ca -0.09 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1sjb h GLU 111 Cb 0.71 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1sjb h GLU 111 CO 0.14 0.07 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.31 1sjb h LEU 112 N 0.11 -0.26 -1.47 1.64 3.38 -0.65 -2.34 115.31 115.73 1sjb h LEU 112 Ca 0.51 -0.26 0.25 0.00 0.09 0.00 0.00 57.88 58.47 1sjb h LEU 112 Cb 0.99 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.73 1sjb h LEU 112 CO -0.73 0.18 0.66 0.03 0.09 0.00 0.00 178.44 178.67 1sjb h ARG 113 N -0.77 0.35 0.00 1.13 3.08 -0.28 0.79 114.38 118.68 1sjb h ARG 113 Ca -0.03 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1sjb h ARG 113 Cb 0.51 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1sjb h ARG 113 CO 0.05 0.23 -0.31 0.00 -1.07 0.00 0.00 179.97 178.88 1sjb h ALA 114 N 1.60 1.33 -0.47 0.04 0.00 -0.45 -1.10 119.26 120.21 1sjb h ALA 114 Ca 0.55 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1sjb h ALA 114 Cb 1.46 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1sjb h ALA 114 CO -0.23 0.38 0.00 0.72 0.00 0.00 0.00 179.25 180.12 1sjb n HIS 115 N -3.94 0.62 -3.80 0.00 8.25 0.16 -4.93 115.22 111.58 1sjb n HIS 115 Ca -0.02 -0.39 -0.25 0.00 -0.26 0.00 0.00 57.72 56.80 1sjb n HIS 115 Cb 0.37 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.50 1sjb n HIS 115 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1sjb n GLU 116 N 1.20 -5.05 -5.13 -0.41 1.02 0.22 -4.97 120.64 107.52 1sjb n GLU 116 Ca 0.18 0.60 -0.31 0.00 -0.02 0.00 0.00 57.16 57.61 1sjb n GLU 116 Cb 0.54 -5.25 -0.15 0.00 -0.02 0.00 0.00 31.44 26.55 1sjb n GLU 116 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1sjb s ARG 117 N -6.26 2.14 0.54 3.49 3.52 0.10 -4.76 118.95 117.73 1sjb s ARG 117 Ca 0.25 -0.91 -0.09 0.00 -0.13 0.00 0.00 55.73 54.85 1sjb s ARG 117 Cb -0.12 -2.11 -0.04 0.00 -1.56 0.00 0.00 34.95 31.12 1sjb s ARG 117 CO 0.82 0.57 0.91 -1.54 -0.81 0.00 0.00 175.30 175.25 1sjb s SER 118 N -0.77 6.27 0.10 -2.12 1.04 -1.26 0.20 113.70 117.17 1sjb s SER 118 Ca 0.11 1.19 -0.23 0.00 0.48 0.00 0.00 55.95 57.50 1sjb s SER 118 Cb -0.10 -2.37 -0.11 0.00 0.10 0.00 0.00 66.02 63.54 1sjb s SER 118 CO 0.00 -0.71 1.72 -0.26 0.98 0.00 0.00 173.24 174.97 1sjb h PHE 119 N 0.04 -0.13 -0.98 5.02 -1.00 -1.37 -2.13 116.94 116.39 1sjb h PHE 119 Ca -0.46 0.01 0.16 0.00 2.81 0.00 0.00 57.97 60.49 1sjb h PHE 119 Cb 1.20 0.06 -0.09 0.00 3.61 0.00 0.00 35.95 40.72 1sjb h PHE 119 CO 0.62 -0.08 0.61 0.00 -1.61 0.00 0.00 178.31 177.86 1sjb h ALA 120 N 0.92 1.69 -0.25 2.45 0.00 -1.87 0.45 119.26 122.66 1sjb h ALA 120 Ca 0.03 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1sjb h ALA 120 Cb 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1sjb h ALA 120 CO -0.06 -0.00 -0.05 0.00 0.00 0.00 0.00 179.25 179.13 1sjb h ALA 121 N 1.60 0.35 -0.48 0.00 0.00 -1.84 0.67 119.26 119.55 1sjb h ALA 121 Ca 0.53 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1sjb h ALA 121 Cb 0.77 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1sjb h ALA 121 CO -0.30 0.14 -0.15 1.49 0.00 0.00 0.00 179.25 180.43 1sjb h GLU 122 N 0.23 0.91 0.00 0.00 4.57 -0.69 -2.98 114.58 116.62 1sjb h GLU 122 Ca 0.06 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 1sjb h GLU 122 Cb 0.51 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1sjb h GLU 122 CO 0.02 1.00 0.00 -0.07 -1.18 0.00 0.00 179.01 178.78 1sjb h LEU 123 N 0.81 0.00 -0.25 1.64 3.38 -0.87 -3.48 115.31 116.55 1sjb h LEU 123 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1sjb h LEU 123 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1sjb h LEU 123 CO 0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1sjb n GLY 124 N 0.48 1.12 3.60 0.83 0.00 -0.66 -4.97 105.19 105.59 1sjb n GLY 124 Ca 0.03 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 1sjb n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sjb n SER 125 N 0.64 0.08 0.00 1.61 2.88 0.14 -4.65 113.62 114.33 1sjb n SER 125 Ca 0.00 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 1sjb n SER 125 Cb 0.19 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.25 1sjb n SER 125 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1sjb n VAL 126 N -3.25 0.00 -4.13 2.46 0.24 -1.11 -4.98 118.33 107.57 1sjb n VAL 126 Ca 0.12 -0.12 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 1sjb n VAL 126 Cb 0.51 0.89 -0.07 0.00 -1.47 0.00 0.00 33.84 33.70 1sjb n VAL 126 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1sjb s ARG 127 N -0.31 2.23 0.00 7.34 0.52 -1.24 -5.07 118.95 122.43 1sjb s ARG 127 Ca 0.00 -1.88 0.00 0.00 -0.52 0.00 0.00 55.73 53.33 1sjb s ARG 127 Cb 0.00 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.50 1sjb s ARG 127 CO 0.00 -0.17 0.00 -0.25 0.02 0.00 0.00 175.30 174.90 1sjb n ASP 128 N -1.29 1.59 -3.95 0.23 8.00 -1.26 -4.97 116.55 114.91 1sjb n ASP 128 Ca -0.02 -0.32 -0.10 0.00 0.71 0.00 0.00 54.79 55.07 1sjb n ASP 128 Cb 0.65 0.95 -0.06 0.00 -0.02 0.00 0.00 41.12 42.63 1sjb n ASP 128 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1sjb s SER 129 N -1.27 -0.05 -0.05 -2.24 0.15 -1.26 -1.32 113.70 107.67 1sjb s SER 129 Ca 0.00 -0.85 -0.09 0.00 0.70 0.00 0.00 55.95 55.71 1sjb s SER 129 Cb 0.00 0.50 0.02 0.00 -1.71 0.00 0.00 66.02 64.83 1sjb s SER 129 CO 0.00 -0.99 0.22 0.68 1.20 0.00 0.00 173.24 174.35 1sjb s VAL 130 N -3.98 0.03 0.25 4.45 -7.23 -0.22 -4.91 120.40 108.79 1sjb s VAL 130 Ca 0.19 -0.25 -0.30 0.00 -1.81 0.00 0.00 61.98 59.81 1sjb s VAL 130 Cb 0.02 -0.40 -0.10 0.00 0.56 0.00 0.00 36.38 36.46 1sjb s VAL 130 CO 0.03 -0.14 1.36 -2.16 -0.31 0.00 0.00 175.10 173.89 1sjb s PRO 131 N -0.49 4.33 -0.10 4.82 0.04 -1.26 -1.18 135.00 141.16 1sjb s PRO 131 Ca -0.06 2.19 0.02 0.00 0.04 0.00 0.00 61.00 63.20 1sjb s PRO 131 Cb -0.04 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.36 1sjb s PRO 131 CO 0.01 -0.31 -0.18 0.00 0.04 0.00 0.00 177.00 176.56 1sjb n GLY 133 N 3.29 2.71 2.93 0.00 0.00 -0.90 -1.15 105.19 112.07 1sjb n GLY 133 Ca -0.18 -2.25 -0.12 0.00 0.00 0.00 0.00 46.02 43.47 1sjb n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjb s VAL 134 N -1.83 0.12 -0.37 1.61 0.11 -0.31 -3.78 120.40 115.95 1sjb s VAL 134 Ca 0.24 -0.37 -0.15 0.00 -2.93 0.00 0.00 61.98 58.78 1sjb s VAL 134 Cb -0.02 -0.17 0.00 0.00 -1.53 0.00 0.00 36.38 34.66 1sjb s VAL 134 CO 0.16 -0.16 0.33 -0.55 -3.33 0.00 0.00 175.10 171.54 1sjb s SER 135 N -0.55 6.13 -0.17 3.54 0.15 -1.26 -1.24 113.70 120.29 1sjb s SER 135 Ca -0.05 -0.54 -0.08 0.00 0.70 0.00 0.00 55.95 55.98 1sjb s SER 135 Cb -0.04 -2.18 -0.04 0.00 -1.71 0.00 0.00 66.02 62.05 1sjb s SER 135 CO -0.00 -0.38 0.10 -0.69 1.20 0.00 0.00 173.24 173.47 1sjb s VAL 136 N 1.87 5.17 0.39 4.45 1.01 0.19 -4.99 120.40 128.49 1sjb s VAL 136 Ca 0.08 0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.10 1sjb s VAL 136 Cb -0.17 -3.32 0.09 0.00 0.00 0.00 0.00 36.38 32.97 1sjb s VAL 136 CO 0.11 0.49 0.50 0.61 0.00 0.00 0.00 175.10 176.81 1sjb n GLY 137 N 3.19 -1.47 3.75 4.51 0.00 -1.26 -0.90 105.19 113.01 1sjb n GLY 137 Ca -0.17 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 1sjb n GLY 137 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sjb s ILE 138 N -2.07 4.55 0.48 -0.61 1.01 0.29 -4.41 121.20 120.44 1sjb s ILE 138 Ca 0.29 1.79 0.07 0.00 0.00 0.00 0.00 60.65 62.80 1sjb s ILE 138 Cb -0.01 -4.19 0.02 0.00 0.01 0.00 0.00 42.46 38.29 1sjb s ILE 138 CO 0.20 0.39 0.48 -0.04 0.00 0.00 0.00 174.94 175.97 1sjb s MET 139 N -0.34 2.45 -0.01 2.79 -1.94 -1.26 -4.47 119.30 116.52 1sjb s MET 139 Ca 0.40 -1.66 0.13 0.00 -1.71 0.00 0.00 55.69 52.86 1sjb s MET 139 Cb -0.22 -2.39 -0.20 0.00 2.01 0.00 0.00 34.83 34.03 1sjb s MET 139 CO 0.26 -0.43 0.73 -0.44 -0.01 0.00 0.00 175.02 175.13 1sjb h ASP 140 N 0.77 0.00 -5.01 3.03 3.32 -1.98 -3.48 116.42 113.07 1sjb h ASP 140 Ca -0.38 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.50 1sjb h ASP 140 Cb 1.28 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.65 1sjb h ASP 140 CO 0.53 0.89 -0.70 0.42 -1.72 0.00 0.00 179.24 178.66 1sjb s THR 141 N -2.69 0.25 0.05 0.35 -4.23 -1.26 -5.06 115.64 103.05 1sjb s THR 141 Ca -0.04 -1.33 -0.23 0.00 -1.18 0.00 0.00 61.69 58.91 1sjb s THR 141 Cb 0.08 -0.86 -0.16 0.00 1.34 0.00 0.00 72.50 72.91 1sjb s THR 141 CO 0.82 -0.69 1.52 0.40 -0.54 0.00 0.00 174.62 176.12 1sjb h ILE 142 N 3.97 1.20 -0.41 2.99 2.04 -1.98 0.29 117.51 125.60 1sjb h ILE 142 Ca -0.33 -0.61 0.08 0.00 1.00 0.00 0.00 64.86 65.00 1sjb h ILE 142 Cb 1.18 1.52 -0.08 0.00 -0.74 0.00 0.00 36.82 38.70 1sjb h ILE 142 CO 0.52 0.17 -0.11 -0.65 0.00 0.00 0.00 178.15 178.08 1sjb h PRO 143 N -0.15 -0.01 -0.40 2.37 0.11 -1.98 0.63 132.00 132.57 1sjb h PRO 143 Ca 0.02 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.18 1sjb h PRO 143 Cb 0.26 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.28 1sjb h PRO 143 CO 0.00 -0.00 -0.51 0.37 -0.21 0.00 0.00 178.00 177.65 1sjb h GLN 144 N -0.01 -0.37 -0.25 1.05 4.15 -1.86 0.69 115.11 118.51 1sjb h GLN 144 Ca 0.20 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.69 1sjb h GLN 144 Cb 0.31 0.08 -0.08 0.00 0.21 0.00 0.00 27.48 28.00 1sjb h GLN 144 CO -0.42 -0.24 -0.45 1.25 -1.93 0.00 0.00 178.83 177.03 1sjb h LEU 145 N -0.38 -1.45 -0.72 -2.39 5.85 0.17 -2.01 115.31 114.38 1sjb h LEU 145 Ca 0.10 0.20 0.16 0.00 0.84 0.00 0.00 57.88 59.18 1sjb h LEU 145 Cb 0.60 0.60 -0.12 0.00 0.37 0.00 0.00 40.66 42.11 1sjb h LEU 145 CO -0.59 -0.41 -0.00 -0.07 -0.34 0.00 0.00 178.44 177.03 1sjb h LEU 146 N -0.44 -0.34 -0.31 2.25 3.38 0.14 0.27 115.31 120.27 1sjb h LEU 146 Ca 0.09 0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.31 1sjb h LEU 146 Cb 0.62 0.33 -0.06 0.00 0.09 0.00 0.00 40.66 41.63 1sjb h LEU 146 CO -0.48 -0.16 -0.10 0.44 0.09 0.00 0.00 178.44 178.22 1sjb h ASP 147 N 0.11 -0.36 -0.05 -0.43 3.32 -0.20 0.99 116.42 119.81 1sjb h ASP 147 Ca 0.39 0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.58 1sjb h ASP 147 Cb 0.66 0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.38 1sjb h ASP 147 CO -0.63 -0.13 -0.31 0.58 -1.72 0.00 0.00 179.24 177.03 1sjb h VAL 148 N -0.03 0.31 0.24 -1.35 2.07 -0.68 0.82 116.25 117.63 1sjb h VAL 148 Ca 0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1sjb h VAL 148 Cb 0.27 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1sjb h VAL 148 CO -0.34 0.00 -0.22 0.58 0.02 0.00 0.00 177.57 177.61 1sjb h VAL 149 N -0.43 0.52 -0.86 2.57 2.07 -0.64 -0.84 116.25 118.64 1sjb h VAL 149 Ca 0.07 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.67 1sjb h VAL 149 Cb 0.54 0.52 -0.10 0.00 -1.52 0.00 0.00 31.29 30.73 1sjb h VAL 149 CO -0.29 0.00 -0.51 0.61 0.02 0.00 0.00 177.57 177.40 1sjb n GLY 150 N -1.35 -2.42 0.18 2.17 0.00 0.31 0.24 105.19 104.32 1sjb n GLY 150 Ca -0.08 1.06 -0.07 0.00 0.00 0.00 0.00 46.02 46.93 1sjb n GLY 150 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sjb h GLY 151 N 0.00 0.14 1.71 -0.02 0.00 0.11 -1.52 103.07 103.50 1sjb h GLY 151 Ca 0.14 0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.57 1sjb h GLY 151 CO -0.81 -0.14 -0.06 -0.97 0.00 0.00 0.00 176.54 174.56 1sjb h TYR 152 N -0.06 0.37 -0.84 5.60 -1.99 0.70 -2.22 116.97 118.53 1sjb h TYR 152 Ca 0.15 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.85 1sjb h TYR 152 Cb 0.29 -0.11 -0.04 0.00 2.00 0.00 0.00 36.73 38.87 1sjb h TYR 152 CO -0.32 0.43 0.54 -0.07 -0.00 0.00 0.00 178.16 178.73 1sjb h LEU 153 N 0.35 0.98 -0.62 3.88 3.38 0.73 -2.59 115.31 121.42 1sjb h LEU 153 Ca 0.07 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1sjb h LEU 153 Cb 0.33 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1sjb h LEU 153 CO 0.01 0.73 -0.36 0.44 0.09 0.00 0.00 178.44 179.35 1sjb h ASP 154 N 1.14 0.73 0.12 -0.43 3.32 -0.81 -2.57 116.42 117.91 1sjb h ASP 154 Ca 0.30 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1sjb h ASP 154 Cb -0.10 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.25 1sjb h ASP 154 CO -0.06 1.02 -0.02 -0.33 -1.72 0.00 0.00 179.24 178.13 1sjb h GLU 155 N 0.58 0.00 0.00 3.56 5.08 -1.07 -3.45 114.58 119.28 1sjb h GLU 155 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1sjb h GLU 155 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1sjb h GLU 155 CO 0.08 0.02 0.00 0.41 -1.00 0.00 0.00 179.01 178.51 1sjb n GLY 156 N -1.03 1.32 3.69 -3.84 0.00 -0.97 -4.76 105.19 99.60 1sjb n GLY 156 Ca -0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 1sjb n GLY 156 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sjb n TYR 157 N -0.77 2.49 0.12 1.61 4.02 -1.01 -3.68 117.16 119.96 1sjb n TYR 157 Ca 0.00 0.16 -0.01 0.00 -0.01 0.00 0.00 57.90 58.04 1sjb n TYR 157 Cb 0.00 -2.60 0.11 0.00 -0.02 0.00 0.00 39.34 36.82 1sjb n TYR 157 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1sjb h VAL 158 N 3.70 1.37 -3.72 -0.72 2.07 -1.40 -3.45 116.25 114.11 1sjb h VAL 158 Ca -0.44 -2.38 -0.13 0.00 0.82 0.00 0.00 66.70 64.57 1sjb h VAL 158 Cb 1.23 2.33 -0.18 0.00 -1.52 0.00 0.00 31.29 33.14 1sjb h VAL 158 CO 0.92 0.66 -0.51 -0.60 0.02 0.00 0.00 177.57 178.06 1sjb s ARG 159 N -3.30 0.57 -0.09 1.57 3.52 -1.25 -4.42 118.95 115.54 1sjb s ARG 159 Ca 0.00 -0.66 0.01 0.00 -0.13 0.00 0.00 55.73 54.95 1sjb s ARG 159 Cb 0.11 0.23 -0.02 0.00 -1.56 0.00 0.00 34.95 33.71 1sjb s ARG 159 CO 0.76 -0.14 -0.12 0.42 -0.81 0.00 0.00 175.30 175.41 1sjb s ILE 160 N -2.29 3.17 -0.13 4.11 1.01 0.31 -1.16 121.20 126.23 1sjb s ILE 160 Ca -0.08 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 59.93 1sjb s ILE 160 Cb -0.03 -2.30 0.02 0.00 0.01 0.00 0.00 42.46 40.16 1sjb s ILE 160 CO -0.03 0.56 -0.13 -0.75 0.00 0.00 0.00 174.94 174.58 1sjb s LYS 161 N -0.19 2.14 -0.21 2.79 2.20 -0.38 -1.53 119.74 124.56 1sjb s LYS 161 Ca 0.00 -0.51 -0.06 0.00 -0.36 0.00 0.00 55.97 55.05 1sjb s LYS 161 Cb -0.13 -1.94 -0.03 0.00 -1.51 0.00 0.00 37.83 34.21 1sjb s LYS 161 CO 0.03 -0.19 0.04 -0.51 -0.36 0.00 0.00 175.35 174.36 1sjb s LEU 162 N 1.36 3.47 0.02 5.43 1.43 -0.22 0.56 118.68 130.73 1sjb s LEU 162 Ca 0.01 -0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.69 1sjb s LEU 162 Cb -0.13 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 1sjb s LEU 162 CO -0.07 0.08 1.20 -0.54 0.23 0.00 0.00 176.35 177.24 1sjb s LYS 163 N 0.95 4.41 0.43 1.70 -0.14 -0.08 -0.95 119.74 126.06 1sjb s LYS 163 Ca 0.03 1.73 0.06 0.00 -1.36 0.00 0.00 55.97 56.43 1sjb s LYS 163 Cb -0.14 -3.43 -0.07 0.00 -1.68 0.00 0.00 37.83 32.51 1sjb s LYS 163 CO 0.02 -0.32 0.01 0.96 -0.76 0.00 0.00 175.35 175.26 1sjb s ILE 164 N 1.49 1.86 0.11 2.17 -4.36 -0.94 -4.32 121.20 117.21 1sjb s ILE 164 Ca 0.58 -1.99 -0.26 0.00 -0.26 0.00 0.00 60.65 58.72 1sjb s ILE 164 Cb -0.28 -2.85 0.07 0.00 1.25 0.00 0.00 42.46 40.66 1sjb s ILE 164 CO 0.27 0.00 0.90 -0.70 0.24 0.00 0.00 174.94 175.65 1sjb s GLU 165 N -3.74 1.11 0.20 0.37 2.12 -0.94 -4.40 118.70 113.41 1sjb s GLU 165 Ca 0.30 -0.55 -0.30 0.00 0.36 0.00 0.00 54.97 54.78 1sjb s GLU 165 Cb 0.08 0.42 -0.09 0.00 0.26 0.00 0.00 34.13 34.80 1sjb s GLU 165 CO 0.15 -0.50 1.37 -2.14 -0.54 0.00 0.00 175.26 173.60 1sjb s PRO 166 N -3.29 4.34 0.00 4.30 0.02 -1.26 -1.36 135.00 137.75 1sjb s PRO 166 Ca 0.09 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.25 1sjb s PRO 166 Cb -0.01 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.33 1sjb s PRO 166 CO -0.02 -0.34 0.00 0.41 -0.33 0.00 0.00 177.00 176.72 1sjb n GLY 167 N 2.54 0.76 2.25 0.52 0.00 -1.26 -4.91 105.19 105.09 1sjb n GLY 167 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 1sjb n GLY 167 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1sjb n TRP 168 N -2.00 -0.48 0.00 1.61 -0.00 -0.46 -5.02 117.44 111.09 1sjb n TRP 168 Ca 0.00 -3.47 0.00 0.00 -0.00 0.00 0.00 57.50 54.03 1sjb n TRP 168 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 31.31 31.15 1sjb n TRP 168 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1sjb n ASP 169 N 0.98 0.00 -0.40 5.87 8.00 -1.23 -2.22 116.55 127.54 1sjb n ASP 169 Ca 0.21 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.60 1sjb n ASP 169 Cb 0.59 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.59 1sjb n ASP 169 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1sjb h VAL 170 N 0.00 0.00 0.00 2.53 2.07 -1.92 -2.34 116.25 116.59 1sjb h VAL 170 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1sjb h VAL 170 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1sjb h VAL 170 CO 0.00 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 176.97 1sjb n GLU 171 N -5.17 0.00 -0.39 1.57 -0.58 -1.26 0.21 120.64 115.02 1sjb n GLU 171 Ca 0.02 0.55 0.35 0.00 -0.42 0.00 0.00 57.16 57.66 1sjb n GLU 171 Cb 0.25 -1.36 0.61 0.00 -0.57 0.00 0.00 31.44 30.37 1sjb n GLU 171 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1sjb n PRO 172 N -1.91 -0.05 -0.02 3.49 -0.04 -1.21 0.14 135.00 135.40 1sjb n PRO 172 Ca 0.00 1.26 -0.16 0.00 -0.04 0.00 0.00 63.50 64.57 1sjb n PRO 172 Cb 0.00 -2.38 -0.12 0.00 -0.04 0.00 0.00 33.50 30.96 1sjb n PRO 172 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1sjb h VAL 173 N 0.00 1.54 -0.95 0.52 2.07 -0.76 -2.20 116.25 116.47 1sjb h VAL 173 Ca 0.83 -2.01 0.21 0.00 0.82 0.00 0.00 66.70 66.55 1sjb h VAL 173 Cb 2.46 2.80 -0.12 0.00 -1.52 0.00 0.00 31.29 34.92 1sjb h VAL 173 CO -0.59 0.55 0.52 -0.09 0.02 0.00 0.00 177.57 177.99 1sjb h ARG 174 N -0.48 0.56 0.62 1.57 2.43 1.11 -1.87 114.38 118.33 1sjb h ARG 174 Ca -0.04 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 1sjb h ARG 174 Cb 1.07 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1sjb h ARG 174 CO 0.06 0.37 -0.42 0.00 -1.51 0.00 0.00 179.97 178.47 1sjb h ALA 175 N 1.68 -1.19 0.00 2.80 0.00 0.73 -0.93 119.26 122.34 1sjb h ALA 175 Ca 0.58 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1sjb h ALA 175 Cb 1.02 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1sjb h ALA 175 CO -0.45 -1.17 -0.18 0.28 0.00 0.00 0.00 179.25 177.74 1sjb h VAL 176 N -0.99 1.07 -0.09 0.00 2.07 -0.94 0.98 116.25 118.35 1sjb h VAL 176 Ca -0.08 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 1sjb h VAL 176 Cb 0.80 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1sjb h VAL 176 CO 0.06 0.17 -0.13 -0.09 0.02 0.00 0.00 177.57 177.60 1sjb h ARG 177 N 0.00 0.25 -0.62 1.57 9.65 -1.27 0.38 114.38 124.34 1sjb h ARG 177 Ca -0.00 -0.14 -0.07 0.00 -1.10 0.00 0.00 59.98 58.66 1sjb h ARG 177 Cb 0.32 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.89 1sjb h ARG 177 CO 0.02 0.70 0.10 1.49 2.80 0.00 0.00 179.97 185.08 1sjb h GLU 178 N -0.19 1.01 0.12 0.20 4.81 -0.92 0.33 114.58 119.93 1sjb h GLU 178 Ca 0.01 -0.26 -0.35 0.00 -0.13 0.00 0.00 59.36 58.63 1sjb h GLU 178 Cb 0.67 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1sjb h GLU 178 CO 0.03 0.93 -1.93 -2.13 -0.73 0.00 0.00 179.01 175.18 1sjb n ARG 179 N -4.22 0.75 0.00 1.92 3.00 0.32 -4.41 116.66 114.01 1sjb n ARG 179 Ca 0.04 0.29 0.11 0.00 -0.00 0.00 0.00 57.85 58.29 1sjb n ARG 179 Cb 0.28 -1.71 0.09 0.00 0.00 0.00 0.00 32.46 31.12 1sjb n ARG 179 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1sjb n PHE 180 N -3.57 0.00 0.00 -0.14 3.01 0.13 -5.07 117.46 111.82 1sjb n PHE 180 Ca -0.32 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.14 1sjb n PHE 180 Cb 1.02 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 40.35 1sjb n PHE 180 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sjb n GLY 181 N 1.49 0.91 0.36 1.37 0.00 0.12 -4.68 105.19 104.77 1sjb n GLY 181 Ca 0.05 -2.11 0.10 0.00 0.00 0.00 0.00 46.02 44.07 1sjb n GLY 181 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sjb n ASP 182 N 0.00 1.73 -0.67 1.61 8.00 -1.26 -4.25 116.55 121.72 1sjb n ASP 182 Ca 0.00 -1.37 0.13 0.00 0.71 0.00 0.00 54.79 54.27 1sjb n ASP 182 Cb 0.00 0.60 0.36 0.00 -0.02 0.00 0.00 41.12 42.07 1sjb n ASP 182 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1sjb n ASP 183 N -0.38 2.07 -4.81 -2.24 8.00 -1.26 -4.90 116.55 113.02 1sjb n ASP 183 Ca 0.08 -1.69 -0.33 0.00 0.71 0.00 0.00 54.79 53.55 1sjb n ASP 183 Cb 0.42 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.46 1sjb n ASP 183 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1sjb s VAL 184 N -1.98 4.18 -0.53 2.53 1.01 -1.26 -4.98 120.40 119.37 1sjb s VAL 184 Ca 0.34 1.31 -0.23 0.00 0.00 0.00 0.00 61.98 63.40 1sjb s VAL 184 Cb 0.21 -3.55 0.04 0.00 0.00 0.00 0.00 36.38 33.08 1sjb s VAL 184 CO 0.32 -0.33 0.89 -0.76 0.00 0.00 0.00 175.10 175.21 1sjb s LEU 185 N -3.41 4.22 -0.05 3.92 1.43 -1.26 -5.01 118.68 118.53 1sjb s LEU 185 Ca 0.64 -0.38 0.06 0.00 -1.03 0.00 0.00 54.13 53.41 1sjb s LEU 185 Cb -0.12 -2.81 -0.01 0.00 0.03 0.00 0.00 46.19 43.28 1sjb s LEU 185 CO 0.18 -1.15 -0.23 -0.22 0.23 0.00 0.00 176.35 175.16 1sjb s LEU 186 N 3.71 2.03 0.12 1.79 2.96 -1.26 0.12 118.68 128.15 1sjb s LEU 186 Ca 0.29 -0.45 -0.09 0.00 -0.22 0.00 0.00 54.13 53.65 1sjb s LEU 186 Cb -0.13 -1.24 -0.00 0.00 0.50 0.00 0.00 46.19 45.32 1sjb s LEU 186 CO 0.19 0.23 0.24 0.00 -1.32 0.00 0.00 176.35 175.69 1sjb s GLN 187 N -0.20 0.99 0.36 1.98 -2.07 -0.58 0.56 119.66 120.70 1sjb s GLN 187 Ca -0.01 -1.05 0.07 0.00 -1.82 0.00 0.00 55.36 52.55 1sjb s GLN 187 Cb -0.12 0.36 -0.07 0.00 -1.09 0.00 0.00 33.01 32.09 1sjb s GLN 187 CO 0.02 -0.34 -0.02 0.14 -1.32 0.00 0.00 175.29 173.78 1sjb s VAL 188 N -3.91 1.88 -0.25 3.63 -7.23 -0.57 -1.06 120.40 112.89 1sjb s VAL 188 Ca 0.10 -2.07 -0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1sjb s VAL 188 Cb 0.04 -2.81 0.12 0.00 0.56 0.00 0.00 36.38 34.30 1sjb s VAL 188 CO -0.06 -0.09 0.29 -0.62 -0.31 0.00 0.00 175.10 174.31 1sjb s ASP 189 N -3.61 1.30 0.00 4.85 2.15 -0.12 -1.70 116.67 119.53 1sjb s ASP 189 Ca 0.34 -0.40 0.27 0.00 0.43 0.00 0.00 52.55 53.19 1sjb s ASP 189 Cb 0.07 0.59 0.92 0.00 -0.30 0.00 0.00 42.92 44.20 1sjb s ASP 189 CO 0.16 -0.35 1.70 0.00 -0.17 0.00 0.00 175.17 176.51 1sjb n ALA 190 N 5.32 2.91 -4.09 3.66 0.00 -0.66 -2.21 120.51 125.44 1sjb n ALA 190 Ca -0.03 -0.23 -0.28 0.00 0.00 0.00 0.00 53.44 52.89 1sjb n ALA 190 Cb 0.48 -1.30 -0.05 0.00 0.00 0.00 0.00 19.45 18.58 1sjb n ALA 190 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sjb n ASN 191 N -1.42 -0.04 -0.00 0.00 5.03 -1.24 -1.90 115.26 115.69 1sjb n ASN 191 Ca 0.07 -1.12 -0.00 0.00 0.87 0.00 0.00 54.58 54.41 1sjb n ASN 191 Cb 0.33 -2.47 -0.00 0.00 -1.02 0.00 0.00 39.78 36.62 1sjb n ASN 191 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1sjb n THR 192 N -4.48 0.00 0.34 3.41 -2.24 0.25 -4.84 114.28 106.72 1sjb n THR 192 Ca -0.31 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.58 1sjb n THR 192 Cb 0.69 -0.38 0.47 0.00 -2.10 0.00 0.00 70.33 69.00 1sjb n THR 192 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sjb n ALA 193 N 1.00 1.51 -2.39 6.98 0.00 -0.80 -3.90 120.51 122.91 1sjb n ALA 193 Ca -0.00 0.09 -0.25 0.00 0.00 0.00 0.00 53.44 53.28 1sjb n ALA 193 Cb 0.19 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.26 1sjb n ALA 193 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1sjb s TYR 194 N -3.32 2.23 0.21 0.00 1.51 0.90 -4.72 117.35 114.16 1sjb s TYR 194 Ca 0.03 -0.68 0.09 0.00 -1.01 0.00 0.00 57.07 55.51 1sjb s TYR 194 Cb 0.08 -1.98 -0.05 0.00 -0.11 0.00 0.00 41.96 39.91 1sjb s TYR 194 CO 0.32 -0.13 -0.18 0.95 -1.11 0.00 0.00 175.55 175.41 1sjb s THR 195 N -2.65 1.99 0.55 -0.71 -4.23 -1.26 -4.26 115.64 105.07 1sjb s THR 195 Ca 0.38 -2.16 0.27 0.00 -1.18 0.00 0.00 61.69 59.00 1sjb s THR 195 Cb -0.00 -2.05 0.40 0.00 1.34 0.00 0.00 72.50 72.18 1sjb s THR 195 CO 0.22 -0.43 1.99 0.25 -0.54 0.00 0.00 174.62 176.11 1sjb h LEU 196 N 2.74 0.00 -1.60 4.79 5.85 -1.96 0.94 115.31 126.08 1sjb h LEU 196 Ca -0.40 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 1sjb h LEU 196 Cb 1.23 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1sjb h LEU 196 CO 0.57 0.00 -0.16 1.23 -0.34 0.00 0.00 178.44 179.75 1sjb h GLY 197 N 0.00 0.00 -0.69 3.75 0.00 -2.01 -2.79 103.07 101.32 1sjb h GLY 197 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1sjb h GLY 197 CO -0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 1sjb n ASP 198 N -3.49 1.13 -0.24 0.19 8.00 0.33 -4.37 116.55 118.09 1sjb n ASP 198 Ca -0.01 -1.92 0.04 0.00 0.71 0.00 0.00 54.79 53.61 1sjb n ASP 198 Cb 0.32 -0.13 0.15 0.00 -0.02 0.00 0.00 41.12 41.44 1sjb n ASP 198 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sjb h ALA 199 N 3.48 0.78 -0.84 2.24 0.00 -1.54 -0.42 119.26 122.97 1sjb h ALA 199 Ca 0.00 0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1sjb h ALA 199 Cb 0.29 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1sjb h ALA 199 CO 0.00 -0.39 0.51 -1.35 0.00 0.00 0.00 179.25 178.02 1sjb h PRO 200 N 0.16 0.89 -0.66 0.00 0.11 -1.86 0.95 132.00 131.59 1sjb h PRO 200 Ca 0.39 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.37 1sjb h PRO 200 Cb 0.66 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.55 1sjb h PRO 200 CO -0.58 0.59 0.12 0.37 -0.21 0.00 0.00 178.00 178.29 1sjb h GLN 201 N 0.92 1.08 0.00 1.05 5.75 -1.42 -1.86 115.11 120.62 1sjb h GLN 201 Ca 0.38 -0.29 -0.05 0.00 -0.15 0.00 0.00 58.65 58.54 1sjb h GLN 201 Cb 0.22 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1sjb h GLN 201 CO -0.19 0.99 -0.22 -0.07 -2.65 0.00 0.00 178.83 176.69 1sjb h LEU 202 N 1.00 0.00 -1.43 -2.39 3.38 -0.41 -0.77 115.31 114.68 1sjb h LEU 202 Ca 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1sjb h LEU 202 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1sjb h LEU 202 CO 0.01 0.22 -0.22 0.00 0.09 0.00 0.00 178.44 178.55 1sjb h ALA 203 N 1.78 1.16 0.00 1.53 0.00 0.15 -1.24 119.26 122.64 1sjb h ALA 203 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1sjb h ALA 203 Cb 0.74 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1sjb h ALA 203 CO 0.03 0.27 0.00 0.54 0.00 0.00 0.00 179.25 180.09 1sjb n ARG 204 N -3.58 0.00 0.00 0.00 1.74 -0.30 -1.46 116.66 113.07 1sjb n ARG 204 Ca -0.01 0.44 0.11 0.00 -0.77 0.00 0.00 57.85 57.62 1sjb n ARG 204 Cb 0.36 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.31 1sjb n ARG 204 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1sjb n LEU 205 N -1.48 2.15 -0.29 0.55 4.77 -0.47 -4.45 117.00 117.78 1sjb n LEU 205 Ca 0.01 -0.79 0.22 0.00 -0.03 0.00 0.00 56.01 55.42 1sjb n LEU 205 Cb 0.03 -0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.65 1sjb n LEU 205 CO 0.02 0.39 1.23 0.44 -1.33 0.00 0.00 177.39 178.15 1sjb h ASP 206 N 2.72 0.39 0.96 -1.43 3.32 -1.38 -2.37 116.42 118.63 1sjb h ASP 206 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1sjb h ASP 206 Cb 0.79 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1sjb h ASP 206 CO 0.00 0.11 0.00 -0.81 -1.72 0.00 0.00 179.24 176.82 1sjb n PRO 207 N -4.55 0.11 -0.12 3.56 -0.05 -1.26 -3.96 135.00 128.73 1sjb n PRO 207 Ca 0.23 0.20 0.11 0.00 -0.05 0.00 0.00 63.50 63.99 1sjb n PRO 207 Cb 0.84 -1.66 0.30 0.00 -0.05 0.00 0.00 33.50 32.93 1sjb n PRO 207 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 1sjb n PHE 208 N -1.86 0.32 -2.95 0.54 3.01 -0.89 -4.97 117.46 110.67 1sjb n PHE 208 Ca 0.05 -0.16 -0.22 0.00 1.01 0.00 0.00 57.45 58.13 1sjb n PHE 208 Cb 0.30 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.80 1sjb n PHE 208 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sjb n GLY 209 N 1.29 -0.52 3.75 1.37 0.00 -1.25 -4.96 105.19 104.87 1sjb n GLY 209 Ca 0.17 0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 1sjb n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sjb s LEU 210 N -6.54 3.67 0.32 0.99 1.43 -1.26 -4.82 118.68 112.47 1sjb s LEU 210 Ca 0.26 2.46 0.17 0.00 -1.03 0.00 0.00 54.13 55.99 1sjb s LEU 210 Cb -0.12 -4.57 0.38 0.00 0.03 0.00 0.00 46.19 41.92 1sjb s LEU 210 CO 0.32 -1.65 1.59 -0.07 0.23 0.00 0.00 176.35 176.77 1sjb h LEU 211 N 0.90 0.00 -7.13 1.79 3.38 -0.25 -3.42 115.31 110.57 1sjb h LEU 211 Ca -0.51 0.00 0.29 0.00 0.09 0.00 0.00 57.88 57.75 1sjb h LEU 211 Cb 1.30 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.90 1sjb h LEU 211 CO 0.55 0.45 0.81 -1.48 0.09 0.00 0.00 178.44 178.86 1sjb s LEU 212 N -6.76 -0.10 -0.19 1.67 0.05 -1.26 -4.39 118.68 107.70 1sjb s LEU 212 Ca 0.02 -0.08 0.00 0.00 0.05 0.00 0.00 54.13 54.12 1sjb s LEU 212 Cb 0.09 1.41 0.04 0.00 -2.05 0.00 0.00 46.19 45.69 1sjb s LEU 212 CO 0.72 -0.29 -0.08 -0.51 -0.55 0.00 0.00 176.35 175.64 1sjb s ILE 213 N -2.45 1.39 -0.28 1.48 1.10 0.29 -1.51 121.20 121.22 1sjb s ILE 213 Ca 0.12 -0.85 -0.22 0.00 -0.51 0.00 0.00 60.65 59.19 1sjb s ILE 213 Cb 0.02 -1.53 -0.01 0.00 0.15 0.00 0.00 42.46 41.09 1sjb s ILE 213 CO -0.04 0.13 0.69 -0.70 -2.11 0.00 0.00 174.94 172.91 1sjb s GLU 214 N 1.50 4.02 -1.20 3.50 2.12 -0.69 -0.24 118.70 127.72 1sjb s GLU 214 Ca -0.01 0.53 -0.26 0.00 0.36 0.00 0.00 54.97 55.59 1sjb s GLU 214 Cb -0.16 -3.69 0.02 0.00 0.26 0.00 0.00 34.13 30.56 1sjb s GLU 214 CO -0.08 -0.53 0.70 0.94 -0.54 0.00 0.00 175.26 175.75 1sjb n GLN 215 N 5.91 -0.82 -0.37 4.30 -0.06 0.15 -1.65 117.38 124.84 1sjb n GLN 215 Ca 0.01 0.25 0.03 0.00 -2.00 0.00 0.00 57.00 55.30 1sjb n GLN 215 Cb 0.49 -3.34 0.19 0.00 -4.06 0.00 0.00 30.24 23.51 1sjb n GLN 215 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 1sjb h PRO 216 N -2.26 1.12 -6.08 3.69 0.13 -1.82 0.73 132.00 127.51 1sjb h PRO 216 Ca -0.69 -0.07 -0.53 0.00 -0.87 0.00 0.00 66.00 63.85 1sjb h PRO 216 Cb 1.39 -0.25 -0.06 0.00 0.13 0.00 0.00 31.00 32.20 1sjb h PRO 216 CO 0.51 0.74 -0.46 -0.51 -0.23 0.00 0.00 178.00 178.05 1sjb s LEU 217 N -10.18 3.30 0.63 1.56 1.43 -1.26 -0.07 118.68 114.10 1sjb s LEU 217 Ca -0.12 -0.82 -0.17 0.00 -1.03 0.00 0.00 54.13 51.98 1sjb s LEU 217 Cb 0.20 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 1sjb s LEU 217 CO 0.81 -0.50 0.70 -1.84 0.23 0.00 0.00 176.35 175.75 1sjb n GLU 218 N -1.34 0.57 -0.33 1.70 0.28 -1.25 -4.32 120.64 115.94 1sjb n GLU 218 Ca 0.00 0.23 0.12 0.00 -0.16 0.00 0.00 57.16 57.35 1sjb n GLU 218 Cb 0.62 -1.93 0.25 0.00 1.43 0.00 0.00 31.44 31.81 1sjb n GLU 218 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1sjb h GLU 219 N 0.10 0.03 0.00 3.44 4.81 -1.92 -0.67 114.58 120.37 1sjb h GLU 219 Ca -0.47 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1sjb h GLU 219 Cb 1.37 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.74 1sjb h GLU 219 CO 0.47 0.02 -0.12 0.39 -0.73 0.00 0.00 179.01 179.04 1sjb n GLU 220 N -5.47 0.15 -2.75 1.92 4.71 -1.26 -4.24 120.64 113.69 1sjb n GLU 220 Ca 0.20 0.10 -0.43 0.00 -0.01 0.00 0.00 57.16 57.02 1sjb n GLU 220 Cb 0.67 -1.65 0.00 0.00 -1.01 0.00 0.00 31.44 29.45 1sjb n GLU 220 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1sjb n ASP 221 N -1.89 5.28 -0.03 1.62 2.03 -0.26 -4.73 116.55 118.57 1sjb n ASP 221 Ca 0.06 -3.06 -0.13 0.00 0.52 0.00 0.00 54.79 52.18 1sjb n ASP 221 Cb 0.39 -1.50 -0.11 0.00 -0.72 0.00 0.00 41.12 39.18 1sjb n ASP 221 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1sjb h VAL 222 N 4.15 1.45 -0.08 5.18 2.07 -1.82 -2.69 116.25 124.49 1sjb h VAL 222 Ca 0.33 -1.63 0.01 0.00 0.82 0.00 0.00 66.70 66.23 1sjb h VAL 222 Cb 0.76 2.52 -0.00 0.00 -1.52 0.00 0.00 31.29 33.05 1sjb h VAL 222 CO 1.38 0.41 0.06 -0.07 0.02 0.00 0.00 177.57 179.36 1sjb h LEU 223 N -0.76 0.04 -0.34 2.57 3.38 -1.95 -0.20 115.31 118.05 1sjb h LEU 223 Ca -0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1sjb h LEU 223 Cb 0.69 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1sjb h LEU 223 CO 0.01 0.03 0.13 1.23 0.09 0.00 0.00 178.44 179.93 1sjb h GLY 224 N 0.05 0.55 0.91 0.83 0.00 -1.91 -1.62 103.07 101.88 1sjb h GLY 224 Ca 0.04 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.08 1sjb h GLY 224 CO -0.00 0.29 0.25 0.45 0.00 0.00 0.00 176.54 177.52 1sjb h HIS 225 N 0.40 0.47 -0.68 5.60 3.86 -0.74 0.36 115.15 124.42 1sjb h HIS 225 Ca 0.11 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.40 1sjb h HIS 225 Cb 0.20 -0.15 -0.06 0.00 1.06 0.00 0.00 27.41 28.46 1sjb h HIS 225 CO -0.00 0.27 0.37 0.00 0.86 0.00 0.00 177.93 179.43 1sjb h ALA 226 N 1.18 0.91 -0.03 2.45 0.00 -0.99 0.38 119.26 123.17 1sjb h ALA 226 Ca 0.17 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1sjb h ALA 226 Cb 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1sjb h ALA 226 CO -0.07 0.04 0.01 1.49 0.00 0.00 0.00 179.25 180.72 1sjb h GLU 227 N 0.68 0.05 -0.47 0.00 4.22 -0.77 -2.71 114.58 115.57 1sjb h GLU 227 Ca 0.31 -0.01 0.09 0.00 0.08 0.00 0.00 59.36 59.83 1sjb h GLU 227 Cb 0.21 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.37 1sjb h GLU 227 CO -0.19 0.17 -0.01 1.25 -2.18 0.00 0.00 179.01 178.05 1sjb h LEU 228 N -0.09 -0.21 -2.55 1.64 5.85 0.47 0.27 115.31 120.69 1sjb h LEU 228 Ca 0.01 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1sjb h LEU 228 Cb 0.14 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1sjb h LEU 228 CO -0.00 -0.07 0.13 0.00 -0.34 0.00 0.00 178.44 178.16 1sjb h ALA 229 N 1.42 1.26 0.00 1.25 0.00 0.01 0.68 119.26 123.87 1sjb h ALA 229 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1sjb h ALA 229 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1sjb h ALA 229 CO -0.40 -0.15 -0.20 0.54 0.00 0.00 0.00 179.25 179.04 1sjb n ARG 230 N -3.18 0.16 0.00 0.00 1.74 0.94 -3.87 116.66 112.45 1sjb n ARG 230 Ca -0.02 0.10 0.06 0.00 -0.77 0.00 0.00 57.85 57.21 1sjb n ARG 230 Cb 0.20 -1.65 0.01 0.00 -1.02 0.00 0.00 32.46 30.00 1sjb n ARG 230 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1sjb n ARG 231 N -1.90 1.76 -4.15 5.56 1.74 0.23 -5.01 116.66 114.89 1sjb n ARG 231 Ca 0.05 -0.74 -0.11 0.00 -0.77 0.00 0.00 57.85 56.28 1sjb n ARG 231 Cb 0.39 -1.14 -0.10 0.00 -1.02 0.00 0.00 32.46 30.59 1sjb n ARG 231 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1sjb s ILE 232 N -1.38 0.63 0.04 0.55 -4.36 -0.89 -4.74 121.20 111.05 1sjb s ILE 232 Ca 0.10 -1.79 0.02 0.00 -0.26 0.00 0.00 60.65 58.72 1sjb s ILE 232 Cb 0.09 -1.49 -0.25 0.00 1.25 0.00 0.00 42.46 42.06 1sjb s ILE 232 CO 0.26 -0.81 0.99 1.56 0.24 0.00 0.00 174.94 177.19 1sjb h GLN 233 N 3.23 0.14 -6.51 0.37 4.20 -1.89 -3.46 115.11 111.20 1sjb h GLN 233 Ca -0.35 -0.25 -0.53 0.00 0.06 0.00 0.00 58.65 57.58 1sjb h GLN 233 Cb 1.17 0.09 0.02 0.00 0.30 0.00 0.00 27.48 29.06 1sjb h GLN 233 CO 0.61 1.01 0.78 0.99 -0.67 0.00 0.00 178.83 181.55 1sjb s THR 234 N -2.65 3.32 0.36 -0.54 2.01 -1.26 -4.93 115.64 111.95 1sjb s THR 234 Ca -0.05 0.90 -0.28 0.00 0.31 0.00 0.00 61.69 62.57 1sjb s THR 234 Cb 0.08 -3.58 -0.11 0.00 0.01 0.00 0.00 72.50 68.90 1sjb s THR 234 CO 0.84 0.05 1.52 -2.84 -0.69 0.00 0.00 174.62 173.50 1sjb s PRO 235 N 1.51 4.10 0.03 4.92 0.02 -1.26 -4.74 135.00 139.58 1sjb s PRO 235 Ca 0.66 2.59 -0.24 0.00 0.02 0.00 0.00 61.00 64.03 1sjb s PRO 235 Cb -0.36 -2.98 -0.05 0.00 0.02 0.00 0.00 34.50 31.13 1sjb s PRO 235 CO 0.30 -0.57 0.72 0.42 -0.33 0.00 0.00 177.00 177.53 1sjb s ILE 236 N -0.87 4.78 -0.06 2.83 -1.09 -1.26 -0.55 121.20 124.98 1sjb s ILE 236 Ca 0.55 1.52 0.03 0.00 -2.23 0.00 0.00 60.65 60.52 1sjb s ILE 236 Cb -0.47 -4.06 0.01 0.00 -1.58 0.00 0.00 42.46 36.36 1sjb s ILE 236 CO 0.60 0.38 -0.13 0.00 -1.23 0.00 0.00 174.94 174.56 1sjb s LEU 238 N 0.53 3.08 0.00 0.00 1.43 -1.22 0.31 118.68 122.80 1sjb s LEU 238 Ca -0.12 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1sjb s LEU 238 Cb -0.15 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.38 1sjb s LEU 238 CO 0.03 0.34 0.00 -0.67 0.23 0.00 0.00 176.35 176.28 1sjb n ASP 239 N 2.07 0.00 -0.27 2.29 2.03 -1.26 -2.51 116.55 118.90 1sjb n ASP 239 Ca -0.17 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.22 1sjb n ASP 239 Cb 0.53 -0.00 0.21 0.00 -0.72 0.00 0.00 41.12 41.14 1sjb n ASP 239 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1sjb h GLU 240 N 0.00 0.16 0.00 -0.67 3.07 -1.95 0.51 114.58 115.70 1sjb h GLU 240 Ca 0.00 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1sjb h GLU 240 Cb 0.00 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1sjb h GLU 240 CO 0.00 0.11 -0.07 0.77 -1.40 0.00 0.00 179.01 178.42 1sjb h SER 241 N 0.16 0.00 -2.35 1.42 0.02 -1.89 -3.37 113.55 107.53 1sjb h SER 241 Ca 0.47 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.74 1sjb h SER 241 Cb 0.87 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.24 1sjb h SER 241 CO -0.65 0.07 0.85 -0.63 -1.14 0.00 0.00 176.83 175.33 1sjb s ILE 242 N -4.17 4.66 -0.74 3.27 -1.09 0.18 -4.75 121.20 118.56 1sjb s ILE 242 Ca -0.03 -1.45 0.23 0.00 -2.23 0.00 0.00 60.65 57.17 1sjb s ILE 242 Cb 0.13 -4.79 -0.13 0.00 -1.58 0.00 0.00 42.46 36.09 1sjb s ILE 242 CO 0.54 -1.52 1.03 1.33 -1.23 0.00 0.00 174.94 175.09 1sjb n VAL 243 N 5.60 0.09 -3.80 2.92 0.24 -1.26 -4.54 118.33 117.59 1sjb n VAL 243 Ca 0.22 -0.16 -0.05 0.00 -2.04 0.00 0.00 64.34 62.32 1sjb n VAL 243 Cb 0.49 0.39 -0.02 0.00 -1.47 0.00 0.00 33.84 33.23 1sjb n VAL 243 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1sjb s SER 244 N -3.58 -0.21 0.21 -1.34 1.04 -1.26 -4.14 113.70 104.41 1sjb s SER 244 Ca 0.05 -0.49 -0.09 0.00 0.48 0.00 0.00 55.95 55.90 1sjb s SER 244 Cb 0.15 0.59 0.15 0.00 0.10 0.00 0.00 66.02 67.01 1sjb s SER 244 CO 0.81 -1.09 1.82 0.00 0.98 0.00 0.00 173.24 175.75 1sjb h ALA 245 N 2.00 0.98 -0.56 5.32 0.00 -1.91 -0.99 119.26 124.10 1sjb h ALA 245 Ca -0.22 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.63 1sjb h ALA 245 Cb 1.24 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 1sjb h ALA 245 CO 0.24 0.50 0.25 -0.09 0.00 0.00 0.00 179.25 180.16 1sjb h ARG 246 N 1.06 0.47 -0.27 0.00 2.43 -1.97 0.22 114.38 116.32 1sjb h ARG 246 Ca 0.27 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.47 1sjb h ARG 246 Cb 0.06 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.44 1sjb h ARG 246 CO -0.04 0.31 -0.15 0.00 -1.51 0.00 0.00 179.97 178.58 1sjb h ALA 247 N 1.33 0.07 -0.06 2.80 0.00 -1.82 0.40 119.26 121.97 1sjb h ALA 247 Ca 0.26 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.30 1sjb h ALA 247 Cb 0.23 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1sjb h ALA 247 CO -0.21 -0.55 -0.12 0.00 0.00 0.00 0.00 179.25 178.37 1sjb h ALA 248 N 1.09 -0.08 -0.39 0.00 0.00 -0.28 0.19 119.26 119.79 1sjb h ALA 248 Ca 0.14 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1sjb h ALA 248 Cb 0.33 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1sjb h ALA 248 CO -0.34 -0.59 -0.03 0.00 0.00 0.00 0.00 179.25 178.28 1sjb h ALA 249 N 0.85 0.33 0.01 0.00 0.00 0.30 -0.34 119.26 120.40 1sjb h ALA 249 Ca 0.06 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1sjb h ALA 249 Cb 0.26 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1sjb h ALA 249 CO -0.16 -0.42 -0.14 -0.44 0.00 0.00 0.00 179.25 178.10 1sjb h ASP 250 N 0.07 -0.40 -0.72 0.00 5.19 0.22 -0.39 116.42 120.39 1sjb h ASP 250 Ca 0.19 0.06 0.01 0.00 -0.62 0.00 0.00 57.03 56.67 1sjb h ASP 250 Cb 0.28 0.16 -0.04 0.00 0.18 0.00 0.00 39.33 39.92 1sjb h ASP 250 CO -0.35 -0.19 0.48 0.00 -3.12 0.00 0.00 179.24 176.05 1sjb h ALA 251 N 0.70 1.50 0.10 3.45 0.00 0.03 -1.30 119.26 123.75 1sjb h ALA 251 Ca 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1sjb h ALA 251 Cb 0.29 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1sjb h ALA 251 CO -0.12 0.45 -0.05 0.82 0.00 0.00 0.00 179.25 180.35 1sjb h ILE 252 N 0.96 1.04 -0.98 0.00 2.04 -0.63 0.28 117.51 120.21 1sjb h ILE 252 Ca 0.27 -0.55 0.19 0.00 1.00 0.00 0.00 64.86 65.77 1sjb h ILE 252 Cb -0.08 1.39 -0.09 0.00 -0.74 0.00 0.00 36.82 37.30 1sjb h ILE 252 CO -0.06 0.13 0.61 0.11 0.00 0.00 0.00 178.15 178.95 1sjb h LYS 253 N -0.40 0.64 -0.11 2.37 1.57 -0.70 0.21 116.57 120.16 1sjb h LYS 253 Ca -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1sjb h LYS 253 Cb 0.33 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1sjb h LYS 253 CO 0.02 0.42 0.00 1.28 -0.57 0.00 0.00 179.45 180.61 1sjb n LEU 254 N -4.68 1.18 -1.56 2.94 4.77 -0.52 -4.89 117.00 114.23 1sjb n LEU 254 Ca 0.22 -0.48 -0.14 0.00 -0.03 0.00 0.00 56.01 55.58 1sjb n LEU 254 Cb 0.61 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.63 1sjb n LEU 254 CO 0.24 0.24 -0.18 0.61 -1.33 0.00 0.00 177.39 176.98 1sjb n GLY 255 N 1.04 -0.09 0.00 -0.72 0.00 0.74 -4.77 105.19 101.40 1sjb n GLY 255 Ca 0.16 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.99 1sjb n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sjb n ALA 256 N -1.47 4.26 -3.09 4.61 0.00 0.95 -4.23 120.51 121.54 1sjb n ALA 256 Ca -0.16 -0.50 -0.11 0.00 0.00 0.00 0.00 53.44 52.66 1sjb n ALA 256 Cb 0.61 -0.90 -0.10 0.00 0.00 0.00 0.00 19.45 19.07 1sjb n ALA 256 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sjb s VAL 257 N -3.01 0.08 -0.03 0.00 0.11 -1.22 -4.24 120.40 112.09 1sjb s VAL 257 Ca 0.09 -0.70 0.03 0.00 -2.93 0.00 0.00 61.98 58.46 1sjb s VAL 257 Cb 0.16 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 1sjb s VAL 257 CO 0.81 -0.39 0.02 0.00 -3.33 0.00 0.00 175.10 172.21 1sjb n GLN 258 N 1.35 3.05 -3.99 1.54 6.02 0.02 -4.75 117.38 120.63 1sjb n GLN 258 Ca -0.22 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 56.64 1sjb n GLN 258 Cb 0.56 -1.07 -0.13 0.00 1.02 0.00 0.00 30.24 30.61 1sjb n GLN 258 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1sjb s ILE 259 N -2.09 0.20 -0.04 5.09 1.01 -1.08 -3.94 121.20 120.35 1sjb s ILE 259 Ca -0.01 -0.37 0.07 0.00 0.00 0.00 0.00 60.65 60.33 1sjb s ILE 259 Cb 0.01 -0.22 -0.02 0.00 0.01 0.00 0.00 42.46 42.24 1sjb s ILE 259 CO 0.12 -0.12 -0.24 -0.69 0.00 0.00 0.00 174.94 174.01 1sjb s VAL 260 N -0.49 2.15 -0.24 2.92 1.01 -0.29 -3.44 120.40 122.01 1sjb s VAL 260 Ca -0.04 -1.05 -0.17 0.00 0.00 0.00 0.00 61.98 60.72 1sjb s VAL 260 Cb -0.04 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1sjb s VAL 260 CO -0.00 0.58 0.45 0.21 0.00 0.00 0.00 175.10 176.34 1sjb s ASN 261 N -0.41 6.40 -0.29 3.32 3.84 -1.04 -1.81 114.94 124.95 1sjb s ASN 261 Ca 0.04 0.48 -0.11 0.00 0.21 0.00 0.00 52.86 53.48 1sjb s ASN 261 Cb -0.12 -2.25 -0.04 0.00 -0.55 0.00 0.00 41.25 38.29 1sjb s ASN 261 CO 0.01 -0.20 0.18 -0.63 -2.79 0.00 0.00 177.10 173.67 1sjb s ILE 262 N 1.96 5.09 -0.34 -5.21 1.01 0.17 -4.73 121.20 119.15 1sjb s ILE 262 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.82 1sjb s ILE 262 Cb -0.15 -3.47 0.08 0.00 0.01 0.00 0.00 42.46 38.92 1sjb s ILE 262 CO 0.09 0.19 0.07 -0.54 0.00 0.00 0.00 174.94 174.76 1sjb s LYS 263 N 1.72 2.12 0.29 2.79 1.02 -1.26 -0.72 119.74 125.69 1sjb s LYS 263 Ca 0.06 -1.56 0.02 0.00 0.02 0.00 0.00 55.97 54.52 1sjb s LYS 263 Cb -0.16 -3.30 0.60 0.00 -0.52 0.00 0.00 37.83 34.44 1sjb s LYS 263 CO 0.09 -0.82 1.82 -1.35 -0.92 0.00 0.00 175.35 174.17 1sjb h PRO 264 N 7.94 0.91 -0.28 -1.68 0.11 -1.88 -2.17 132.00 134.94 1sjb h PRO 264 Ca -0.15 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.74 1sjb h PRO 264 Cb 1.05 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1sjb h PRO 264 CO 0.58 0.60 -0.45 0.78 -0.21 0.00 0.00 178.00 179.31 1sjb h GLY 265 N 0.94 0.87 0.68 -0.55 0.00 -1.92 0.37 103.07 103.45 1sjb h GLY 265 Ca 0.52 -0.99 0.10 0.00 0.00 0.00 0.00 47.33 46.97 1sjb h GLY 265 CO -0.30 0.89 0.59 -0.09 0.00 0.00 0.00 176.54 177.62 1sjb h ARG 266 N 0.55 0.87 -0.00 4.80 2.43 -1.74 -2.25 114.38 119.04 1sjb h ARG 266 Ca 0.02 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1sjb h ARG 266 Cb 1.05 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1sjb h ARG 266 CO 0.10 0.58 -0.48 1.33 -1.51 0.00 0.00 179.97 179.98 1sjb n VAL 267 N -4.54 0.00 0.00 0.20 0.24 -0.87 -4.69 118.33 108.67 1sjb n VAL 267 Ca 0.16 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 1sjb n VAL 267 Cb 0.32 0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 1sjb n VAL 267 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sjb n GLY 268 N 1.49 1.22 0.00 7.63 0.00 -0.86 -4.69 105.19 109.96 1sjb n GLY 268 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1sjb n GLY 268 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sjb n GLY 269 N -1.71 3.91 0.28 -0.02 0.00 0.13 -3.80 105.19 103.98 1sjb n GLY 269 Ca 0.00 -1.66 -0.03 0.00 0.00 0.00 0.00 46.02 44.33 1sjb n GLY 269 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1sjb h TYR 270 N 0.00 0.76 -0.54 1.61 -1.99 -1.83 -2.15 116.97 112.83 1sjb h TYR 270 Ca 0.00 -0.10 -0.04 0.00 2.00 0.00 0.00 58.73 60.59 1sjb h TYR 270 Cb 0.00 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 38.50 1sjb h TYR 270 CO 0.00 0.73 0.19 -0.07 -0.00 0.00 0.00 178.16 179.00 1sjb h LEU 271 N 0.67 0.77 -0.90 3.88 3.38 -1.93 -1.77 115.31 119.41 1sjb h LEU 271 Ca 0.13 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1sjb h LEU 271 Cb 0.45 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1sjb h LEU 271 CO 0.02 0.75 0.09 -0.08 0.09 0.00 0.00 178.44 179.31 1sjb h GLU 272 N 0.74 0.90 -0.54 1.13 4.57 -1.82 -2.67 114.58 116.88 1sjb h GLU 272 Ca 0.18 -0.22 0.09 0.00 -1.18 0.00 0.00 59.36 58.23 1sjb h GLU 272 Cb 0.25 -0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 28.65 1sjb h GLU 272 CO -0.01 0.84 0.15 0.00 -1.18 0.00 0.00 179.01 178.81 1sjb h ALA 273 N 1.24 0.65 -0.49 2.92 0.00 -0.67 0.26 119.26 123.17 1sjb h ALA 273 Ca 0.18 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.23 1sjb h ALA 273 Cb 0.38 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1sjb h ALA 273 CO 0.01 -0.26 0.24 -0.09 0.00 0.00 0.00 179.25 179.14 1sjb h ARG 274 N 0.30 0.45 -0.20 0.00 2.43 -1.13 0.19 114.38 116.43 1sjb h ARG 274 Ca 0.27 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.42 1sjb h ARG 274 Cb 0.35 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1sjb h ARG 274 CO -0.32 0.30 0.12 0.00 -1.51 0.00 0.00 179.97 178.56 1sjb h ARG 275 N 0.47 0.24 -0.71 0.20 3.08 -0.83 0.56 114.38 117.38 1sjb h ARG 275 Ca 0.22 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.33 1sjb h ARG 275 Cb 0.14 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.07 1sjb h ARG 275 CO -0.16 0.16 0.38 0.28 -1.07 0.00 0.00 179.97 179.55 1sjb h VAL 276 N 0.25 0.90 -0.37 2.04 2.07 0.91 -0.46 116.25 121.59 1sjb h VAL 276 Ca 0.08 -0.23 0.07 0.00 0.82 0.00 0.00 66.70 67.44 1sjb h VAL 276 Cb -0.01 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 29.88 1sjb h VAL 276 CO -0.03 0.12 -0.04 -0.74 0.02 0.00 0.00 177.57 176.89 1sjb h HIS 277 N 0.66 -0.10 -0.40 1.57 -0.00 0.46 -0.29 115.15 117.05 1sjb h HIS 277 Ca 0.34 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.72 1sjb h HIS 277 Cb 0.30 0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.80 1sjb h HIS 277 CO -0.09 -0.11 0.17 -0.44 -0.00 0.00 0.00 177.93 177.46 1sjb h ASP 278 N 0.05 0.54 -0.31 3.26 3.32 0.27 0.11 116.42 123.67 1sjb h ASP 278 Ca 0.18 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.10 1sjb h ASP 278 Cb 0.26 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1sjb h ASP 278 CO -0.34 0.55 0.13 0.58 -1.72 0.00 0.00 179.24 178.44 1sjb h VAL 279 N 0.50 0.94 -0.14 -1.35 2.07 -0.78 0.29 116.25 117.79 1sjb h VAL 279 Ca 0.13 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.58 1sjb h VAL 279 Cb 0.17 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1sjb h VAL 279 CO -0.01 0.05 0.03 0.00 0.02 0.00 0.00 177.57 177.66 1sjb h ALA 281 N 1.10 -0.32 -0.15 0.00 0.00 -0.09 -0.04 119.26 119.76 1sjb h ALA 281 Ca 0.06 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1sjb h ALA 281 Cb 0.05 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1sjb h ALA 281 CO -0.08 -0.77 0.19 0.00 0.00 0.00 0.00 179.25 178.58 1sjb h ALA 282 N 0.50 1.70 -0.45 0.00 0.00 0.08 -1.15 119.26 119.93 1sjb h ALA 282 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1sjb h ALA 282 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1sjb h ALA 282 CO -0.37 -0.26 0.00 0.72 0.00 0.00 0.00 179.25 179.34 1sjb n HIS 283 N -3.69 0.58 -1.97 0.00 8.25 -0.13 -4.95 115.22 113.31 1sjb n HIS 283 Ca 0.01 -0.29 -0.11 0.00 -0.26 0.00 0.00 57.72 57.07 1sjb n HIS 283 Cb 0.30 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.39 1sjb n HIS 283 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sjb n GLY 284 N 1.51 0.26 3.55 -1.41 0.00 -0.44 -5.01 105.19 103.65 1sjb n GLY 284 Ca 0.20 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 1sjb n GLY 284 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sjb s ILE 285 N -2.50 5.26 0.46 -0.61 -1.09 -0.62 -5.02 121.20 117.08 1sjb s ILE 285 Ca 0.00 -0.06 -0.22 0.00 -2.23 0.00 0.00 60.65 58.15 1sjb s ILE 285 Cb 0.00 -3.71 -0.08 0.00 -1.58 0.00 0.00 42.46 37.09 1sjb s ILE 285 CO 0.00 0.02 1.07 -2.84 -1.23 0.00 0.00 174.94 171.96 1sjb s PRO 286 N 1.81 3.88 0.23 2.79 0.02 -1.25 -3.87 135.00 138.61 1sjb s PRO 286 Ca 0.08 1.50 0.06 0.00 0.02 0.00 0.00 61.00 62.67 1sjb s PRO 286 Cb -0.17 -2.29 -0.05 0.00 0.02 0.00 0.00 34.50 32.01 1sjb s PRO 286 CO 0.11 -0.39 -0.09 0.14 -0.33 0.00 0.00 177.00 176.44 1sjb s VAL 287 N -1.78 1.55 -0.04 3.83 -7.23 -1.11 -1.14 120.40 114.47 1sjb s VAL 287 Ca 0.64 -2.14 -0.16 0.00 -1.81 0.00 0.00 61.98 58.51 1sjb s VAL 287 Cb -0.21 -2.23 0.03 0.00 0.56 0.00 0.00 36.38 34.53 1sjb s VAL 287 CO 0.25 -0.45 0.36 -1.66 -0.31 0.00 0.00 175.10 173.29 1sjb s TRP 288 N -3.08 -0.27 0.12 2.82 1.48 -0.75 -2.00 118.94 117.25 1sjb s TRP 288 Ca 0.26 0.50 -0.30 0.00 -1.06 0.00 0.00 56.10 55.49 1sjb s TRP 288 Cb 0.02 0.13 -0.07 0.00 -1.16 0.00 0.00 33.47 32.40 1sjb s TRP 288 CO 0.09 -0.37 1.19 0.00 -4.06 0.00 0.00 176.95 173.79 1sjb s GLY 290 N 0.61 1.65 0.06 0.00 0.00 0.10 -0.47 107.32 109.27 1sjb s GLY 290 Ca 0.56 -1.38 0.01 0.00 0.00 0.00 0.00 44.72 43.90 1sjb s GLY 290 CO 0.32 -1.25 -0.05 -0.32 0.00 0.00 0.00 173.10 171.80 1sjb s GLY 291 N -4.23 0.55 -0.39 0.20 0.00 -1.25 -4.72 107.32 97.48 1sjb s GLY 291 Ca 0.48 -1.09 0.10 0.00 0.00 0.00 0.00 44.72 44.21 1sjb s GLY 291 CO 0.33 -1.18 1.06 1.03 0.00 0.00 0.00 173.10 174.35 1sjb n MET 292 N 0.52 2.66 -4.09 2.90 2.81 -1.26 -4.96 117.12 115.70 1sjb n MET 292 Ca -0.16 -4.06 -0.29 0.00 -1.81 0.00 0.00 57.70 51.38 1sjb n MET 292 Cb 0.59 -1.91 -0.04 0.00 -0.71 0.00 0.00 33.22 31.15 1sjb n MET 292 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1sjb n ILE 293 N -0.36 -2.19 -1.67 2.02 5.41 -1.26 -4.93 119.36 116.38 1sjb n ILE 293 Ca 0.29 -0.37 -0.30 0.00 1.00 0.00 0.00 62.75 63.36 1sjb n ILE 293 Cb 0.73 -2.11 0.20 0.00 -0.71 0.00 0.00 39.64 37.75 1sjb n ILE 293 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1sjb s GLU 294 N -6.79 0.03 0.55 0.38 8.01 -1.26 -5.08 118.70 114.54 1sjb s GLU 294 Ca 0.19 -0.32 -0.06 0.00 0.01 0.00 0.00 54.97 54.79 1sjb s GLU 294 Cb -0.11 -1.77 0.12 0.00 -4.31 0.00 0.00 34.13 28.07 1sjb s GLU 294 CO 0.92 -2.84 0.76 0.25 0.01 0.00 0.00 175.26 174.36 1sjb n THR 295 N -4.09 0.00 0.31 3.63 -2.24 -1.26 -4.74 114.28 105.90 1sjb n THR 295 Ca 0.15 -0.79 0.13 0.00 -2.27 0.00 0.00 64.05 61.27 1sjb n THR 295 Cb 0.59 -1.41 0.61 0.00 -2.10 0.00 0.00 70.33 68.02 1sjb n THR 295 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1sjb h GLY 296 N -0.79 0.00 0.61 3.38 0.00 -1.93 0.11 103.07 104.44 1sjb h GLY 296 Ca -0.25 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1sjb h GLY 296 CO 0.21 0.00 -0.25 1.41 0.00 0.00 0.00 176.54 177.91 1sjb h LEU 297 N 0.00 -0.58 0.33 3.11 3.38 -1.95 -0.99 115.31 118.60 1sjb h LEU 297 Ca 0.00 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1sjb h LEU 297 Cb 0.27 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1sjb h LEU 297 CO 0.00 -0.19 -0.16 1.23 0.09 0.00 0.00 178.44 179.42 1sjb h GLY 298 N -1.09 -0.46 -0.82 0.83 0.00 -1.79 -2.93 103.07 96.81 1sjb h GLY 298 Ca -0.07 0.17 0.25 0.00 0.00 0.00 0.00 47.33 47.68 1sjb h GLY 298 CO 0.12 -0.17 0.05 -0.09 0.00 0.00 0.00 176.54 176.44 1sjb h ARG 299 N -0.53 0.04 -0.72 4.80 2.43 -0.87 -0.15 114.38 119.38 1sjb h ARG 299 Ca -0.04 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 1sjb h ARG 299 Cb 0.40 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 1sjb h ARG 299 CO 0.07 0.03 0.22 0.00 -1.51 0.00 0.00 179.97 178.78 1sjb h ALA 300 N 1.92 0.95 0.00 2.80 0.00 -1.00 -0.06 119.26 123.87 1sjb h ALA 300 Ca 0.57 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1sjb h ALA 300 Cb 1.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1sjb h ALA 300 CO -0.86 0.63 -0.46 0.00 0.00 0.00 0.00 179.25 178.56 1sjb h ALA 301 N 1.11 0.75 -0.19 0.00 0.00 -1.02 -2.78 119.26 117.12 1sjb h ALA 301 Ca 0.23 -0.42 -0.20 0.00 0.00 0.00 0.00 54.91 54.52 1sjb h ALA 301 Cb 0.31 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1sjb h ALA 301 CO -0.01 0.58 -0.67 -0.91 0.00 0.00 0.00 179.25 178.24 1sjb h ASN 302 N 0.00 0.92 -0.41 0.00 4.21 -0.72 -2.42 115.58 117.16 1sjb h ASN 302 Ca -0.00 -0.60 0.02 0.00 1.21 0.00 0.00 56.30 56.93 1sjb h ASN 302 Cb 1.25 -0.27 -0.03 0.00 -1.12 0.00 0.00 38.32 38.16 1sjb h ASN 302 CO 0.06 1.36 0.23 0.58 -1.29 0.00 0.00 177.43 178.37 1sjb h VAL 303 N 0.54 1.03 -0.02 2.81 2.07 -0.99 0.27 116.25 121.95 1sjb h VAL 303 Ca -0.03 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1sjb h VAL 303 Cb 1.29 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1sjb h VAL 303 CO 0.14 0.09 -0.41 0.00 0.02 0.00 0.00 177.57 177.41 1sjb h ALA 304 N 1.19 -0.84 -0.75 1.67 0.00 -1.43 -2.45 119.26 116.65 1sjb h ALA 304 Ca 0.17 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.15 1sjb h ALA 304 Cb 0.03 0.86 -0.09 0.00 0.00 0.00 0.00 17.79 18.58 1sjb h ALA 304 CO -0.09 -0.96 0.31 1.25 0.00 0.00 0.00 179.25 179.75 1sjb h LEU 305 N -0.50 0.29 0.00 0.00 5.85 -1.09 0.01 115.31 119.87 1sjb h LEU 305 Ca 0.01 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1sjb h LEU 305 Cb 0.55 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1sjb h LEU 305 CO -0.28 0.11 0.00 0.00 -0.34 0.00 0.00 178.44 177.93 1sjb n ALA 306 N -2.51 1.82 0.97 1.25 0.00 0.92 -0.96 120.51 121.99 1sjb n ALA 306 Ca 0.14 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1sjb n ALA 306 Cb 0.41 -1.14 0.22 0.00 0.00 0.00 0.00 19.45 18.94 1sjb n ALA 306 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sjb n SER 307 N -1.00 2.73 -4.77 0.00 3.41 -0.01 -4.76 113.62 109.22 1sjb n SER 307 Ca 0.06 -1.89 -0.34 0.00 -0.26 0.00 0.00 58.87 56.45 1sjb n SER 307 Cb 0.03 -0.06 0.04 0.00 -0.26 0.00 0.00 64.21 63.96 1sjb n SER 307 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1sjb s LEU 308 N -1.86 3.47 0.27 1.04 1.02 -0.14 -2.74 118.68 119.75 1sjb s LEU 308 Ca 0.32 2.09 0.00 0.00 0.02 0.00 0.00 54.13 56.57 1sjb s LEU 308 Cb 0.21 -4.56 0.55 0.00 0.02 0.00 0.00 46.19 42.40 1sjb s LEU 308 CO 0.31 -1.61 1.80 -0.65 0.02 0.00 0.00 176.35 176.22 1sjb h PRO 309 N 0.29 0.81 0.00 1.29 0.11 -1.89 -2.18 132.00 130.43 1sjb h PRO 309 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1sjb h PRO 309 Cb 1.26 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1sjb h PRO 309 CO 0.54 0.53 -0.12 -1.71 -0.21 0.00 0.00 178.00 177.04 1sjb n ASN 310 N -4.73 0.19 -4.57 -2.05 5.15 -1.26 -4.48 115.26 103.50 1sjb n ASN 310 Ca 0.18 0.35 -0.29 0.00 -0.60 0.00 0.00 54.58 54.21 1sjb n ASN 310 Cb 0.39 -0.35 -0.05 0.00 -0.53 0.00 0.00 39.78 39.23 1sjb n ASN 310 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1sjb s PHE 311 N -3.01 1.98 -2.20 1.20 0.40 -0.82 -2.76 117.98 112.76 1sjb s PHE 311 Ca 0.13 0.33 0.27 0.00 -0.60 0.00 0.00 56.93 57.06 1sjb s PHE 311 Cb 0.18 -4.09 0.81 0.00 0.51 0.00 0.00 43.02 40.43 1sjb s PHE 311 CO 0.57 -1.44 1.60 0.25 0.70 0.00 0.00 175.22 176.90 1sjb n THR 312 N 7.70 0.00 -4.63 0.64 -2.24 -0.85 -4.87 114.28 110.03 1sjb n THR 312 Ca 0.43 -0.22 -0.23 0.00 -2.27 0.00 0.00 64.05 61.77 1sjb n THR 312 Cb 0.47 0.57 -0.15 0.00 -2.10 0.00 0.00 70.33 69.12 1sjb n THR 312 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1sjb s LEU 313 N -2.23 2.08 0.14 3.22 1.02 -1.23 -5.04 118.68 116.63 1sjb s LEU 313 Ca 0.31 -0.34 -0.35 0.00 0.02 0.00 0.00 54.13 53.77 1sjb s LEU 313 Cb 0.20 -0.77 -0.15 0.00 0.02 0.00 0.00 46.19 45.49 1sjb s LEU 313 CO 0.42 0.15 1.46 -0.81 0.02 0.00 0.00 176.35 177.59 1sjb n PRO 314 N 2.43 1.73 -3.01 1.29 -0.04 -1.26 -4.49 135.00 131.65 1sjb n PRO 314 Ca -0.15 0.62 -0.18 0.00 -0.04 0.00 0.00 63.50 63.75 1sjb n PRO 314 Cb 0.55 -2.32 0.02 0.00 -0.04 0.00 0.00 33.50 31.70 1sjb n PRO 314 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1sjb s GLY 315 N 0.66 1.91 -1.37 0.55 0.00 -1.25 -4.72 107.32 103.10 1sjb s GLY 315 Ca 0.80 -1.75 -0.15 0.00 0.00 0.00 0.00 44.72 43.62 1sjb s GLY 315 CO 0.43 -1.52 2.26 1.22 0.00 0.00 0.00 173.10 175.49 1sjb n ASP 316 N -1.93 4.21 -2.47 1.64 8.00 0.38 -2.12 116.55 124.26 1sjb n ASP 316 Ca 0.09 -2.78 -0.28 0.00 0.71 0.00 0.00 54.79 52.54 1sjb n ASP 316 Cb 0.59 -1.56 0.01 0.00 -0.02 0.00 0.00 41.12 40.14 1sjb n ASP 316 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1sjb n THR 317 N 5.05 2.53 -0.46 -3.53 -2.24 -1.26 -3.96 114.28 110.41 1sjb n THR 317 Ca 0.54 -4.76 -0.28 0.00 -2.27 0.00 0.00 64.05 57.28 1sjb n THR 317 Cb 0.37 -1.25 0.27 0.00 -2.10 0.00 0.00 70.33 67.62 1sjb n THR 317 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1sjb s SER 318 N -3.28 0.41 0.43 3.42 0.01 -1.25 -4.75 113.70 108.70 1sjb s SER 318 Ca 0.49 1.42 -0.22 0.00 1.31 0.00 0.00 55.95 58.95 1sjb s SER 318 Cb 0.41 -2.19 -0.09 0.00 0.21 0.00 0.00 66.02 64.36 1sjb s SER 318 CO -0.18 -4.54 1.04 0.00 0.41 0.00 0.00 173.24 169.97 1sjb s ALA 319 N -2.38 3.00 0.16 1.44 0.00 -1.26 -4.93 121.76 117.79 1sjb s ALA 319 Ca 0.69 0.65 -0.20 0.00 0.00 0.00 0.00 51.96 53.10 1sjb s ALA 319 Cb -0.24 -3.26 0.06 0.00 0.00 0.00 0.00 23.12 19.68 1sjb s ALA 319 CO 0.65 -0.23 1.25 0.43 0.00 0.00 0.00 175.76 177.86 1sjb n SER 320 N -0.43 -0.70 0.10 0.00 7.64 -0.44 0.35 113.62 120.14 1sjb n SER 320 Ca 0.07 1.43 0.05 0.00 1.01 0.00 0.00 58.87 61.43 1sjb n SER 320 Cb 0.51 -0.25 0.29 0.00 -1.01 0.00 0.00 64.21 63.75 1sjb n SER 320 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1sjb n ASP 321 N -5.10 0.28 0.18 6.43 5.68 -1.22 -1.86 116.55 120.93 1sjb n ASP 321 Ca 0.05 0.55 0.06 0.00 -0.50 0.00 0.00 54.79 54.95 1sjb n ASP 321 Cb 0.26 -0.55 0.55 0.00 -1.14 0.00 0.00 41.12 40.25 1sjb n ASP 321 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1sjb h ARG 322 N 0.00 0.16 0.00 0.11 1.12 -0.46 -3.34 114.38 111.97 1sjb h ARG 322 Ca 0.00 -0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 58.79 1sjb h ARG 322 Cb 0.30 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.22 1sjb h ARG 322 CO 0.00 0.14 -1.25 1.19 -3.11 0.00 0.00 179.97 176.94 1sjb n PHE 323 N -4.48 0.00 -4.51 2.20 3.01 -0.89 -4.77 117.46 108.01 1sjb n PHE 323 Ca -0.01 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.12 1sjb n PHE 323 Cb 0.11 -0.16 -0.11 0.00 -0.01 0.00 0.00 39.48 39.31 1sjb n PHE 323 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1sjb s TYR 324 N -2.08 2.93 -0.06 1.38 4.12 -0.78 -0.09 117.35 122.77 1sjb s TYR 324 Ca -0.06 0.00 -0.25 0.00 0.02 0.00 0.00 57.07 56.78 1sjb s TYR 324 Cb 0.02 -1.66 -0.21 0.00 -1.52 0.00 0.00 41.96 38.60 1sjb s TYR 324 CO 0.09 0.37 1.04 -0.22 0.02 0.00 0.00 175.55 176.84 1sjb h LYS 325 N 4.82 -0.05 -4.85 -0.62 3.64 -1.83 -3.22 116.57 114.46 1sjb h LYS 325 Ca -0.49 0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 58.26 1sjb h LYS 325 Cb 1.17 0.01 -0.35 0.00 -0.41 0.00 0.00 32.23 32.65 1sjb h LYS 325 CO 0.53 0.55 -0.85 0.99 -2.27 0.00 0.00 179.45 178.41 1sjb s THR 326 N -3.52 1.79 -0.12 1.00 2.01 -1.26 -4.86 115.64 110.68 1sjb s THR 326 Ca -0.16 -0.77 -0.07 0.00 0.31 0.00 0.00 61.69 61.00 1sjb s THR 326 Cb 0.00 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 1sjb s THR 326 CO 0.63 0.50 0.12 -0.62 -0.69 0.00 0.00 174.62 174.55 1sjb s ASP 327 N 1.38 6.20 0.00 3.53 -1.08 -1.26 -4.96 116.67 120.48 1sjb s ASP 327 Ca 0.05 0.39 0.00 0.00 -0.52 0.00 0.00 52.55 52.47 1sjb s ASP 327 Cb -0.13 -1.99 0.00 0.00 -1.46 0.00 0.00 42.92 39.34 1sjb s ASP 327 CO -0.11 0.38 0.84 2.30 0.52 0.00 0.00 175.17 179.09 1sjb n ILE 328 N 2.19 1.40 -4.22 4.11 -5.35 -1.26 -4.58 119.36 111.65 1sjb n ILE 328 Ca -0.19 0.40 -0.11 0.00 -0.27 0.00 0.00 62.75 62.58 1sjb n ILE 328 Cb 0.54 -1.40 -0.03 0.00 -1.74 0.00 0.00 39.64 37.02 1sjb n ILE 328 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1sjb n THR 329 N -1.34 0.00 -2.21 7.28 -2.24 -1.26 0.23 114.28 114.74 1sjb n THR 329 Ca 0.00 -0.95 -0.42 0.00 -2.27 0.00 0.00 64.05 60.40 1sjb n THR 329 Cb 0.05 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 1sjb n THR 329 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1sjb s GLU 330 N -2.64 4.23 1.04 -0.78 2.56 -1.26 -4.89 118.70 116.96 1sjb s GLU 330 Ca 0.07 1.95 -0.13 0.00 0.00 0.00 0.00 54.97 56.86 1sjb s GLU 330 Cb 0.00 -3.79 0.17 0.00 2.00 0.00 0.00 34.13 32.52 1sjb s GLU 330 CO 0.05 -0.72 0.79 -2.30 -0.56 0.00 0.00 175.26 172.52 1sjb n PRO 331 N 6.43 -1.29 -3.66 4.30 -0.02 -1.26 -4.95 135.00 134.54 1sjb n PRO 331 Ca 0.15 -0.33 -0.38 0.00 -2.02 0.00 0.00 63.50 60.92 1sjb n PRO 331 Cb 0.44 -2.11 -0.12 0.00 -0.02 0.00 0.00 33.50 31.69 1sjb n PRO 331 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1sjb s PHE 332 N -2.45 3.16 -0.12 6.00 0.40 -1.26 -4.97 117.98 118.74 1sjb s PHE 332 Ca 0.64 -0.23 0.03 0.00 -0.60 0.00 0.00 56.93 56.76 1sjb s PHE 332 Cb -0.22 -2.33 0.01 0.00 0.51 0.00 0.00 43.02 40.99 1sjb s PHE 332 CO 0.63 -0.30 -0.21 0.08 0.70 0.00 0.00 175.22 176.12 1sjb s VAL 333 N 1.68 1.93 -0.16 -0.44 1.01 -1.26 -1.33 120.40 121.83 1sjb s VAL 333 Ca 0.06 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 1sjb s VAL 333 Cb -0.16 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 1sjb s VAL 333 CO 0.07 0.53 1.98 -0.22 0.00 0.00 0.00 175.10 177.46 1sjb s LEU 334 N 0.68 3.81 -0.62 3.92 2.96 -1.26 -4.78 118.68 123.39 1sjb s LEU 334 Ca -0.11 1.99 -0.02 0.00 -0.22 0.00 0.00 54.13 55.77 1sjb s LEU 334 Cb -0.16 -3.52 0.16 0.00 0.50 0.00 0.00 46.19 43.17 1sjb s LEU 334 CO 0.02 -1.54 0.43 -0.55 -1.32 0.00 0.00 176.35 173.38 1sjb s SER 335 N 6.18 5.09 -0.46 3.68 0.15 -1.02 -4.68 113.70 122.65 1sjb s SER 335 Ca 0.89 -2.94 -0.03 0.00 0.70 0.00 0.00 55.95 54.58 1sjb s SER 335 Cb -0.33 -1.82 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 1sjb s SER 335 CO 0.35 -0.33 0.40 0.61 1.20 0.00 0.00 173.24 175.47 1sjb n GLY 336 N 3.35 0.44 2.25 9.45 0.00 -1.26 -3.19 105.19 116.23 1sjb n GLY 336 Ca 0.08 -0.36 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 1sjb n GLY 336 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sjb n GLY 337 N -1.01 0.51 2.04 -0.02 0.00 -1.24 -4.99 105.19 100.48 1sjb n GLY 337 Ca -0.00 -0.25 -0.18 0.00 0.00 0.00 0.00 46.02 45.59 1sjb n GLY 337 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1sjb n HIS 338 N -2.75 0.55 -3.67 1.61 8.25 -1.19 0.22 115.22 118.24 1sjb n HIS 338 Ca -0.02 -1.44 -0.13 0.00 -0.26 0.00 0.00 57.72 55.86 1sjb n HIS 338 Cb 0.16 -0.15 -0.08 0.00 1.12 0.00 0.00 29.99 31.04 1sjb n HIS 338 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1sjb s LEU 339 N 0.00 -0.33 -0.04 2.41 1.02 -0.32 -2.44 118.68 118.98 1sjb s LEU 339 Ca 0.02 1.22 -0.27 0.00 0.02 0.00 0.00 54.13 55.13 1sjb s LEU 339 Cb 0.00 2.07 -0.03 0.00 0.02 0.00 0.00 46.19 48.24 1sjb s LEU 339 CO 0.02 -0.21 0.84 -2.16 0.02 0.00 0.00 176.35 174.86 1sjb s PRO 340 N 0.40 4.48 0.18 1.29 0.04 -1.26 -1.05 135.00 139.08 1sjb s PRO 340 Ca -0.01 1.14 -0.31 0.00 0.04 0.00 0.00 61.00 61.87 1sjb s PRO 340 Cb -0.04 -3.46 -0.09 0.00 0.04 0.00 0.00 34.50 30.94 1sjb s PRO 340 CO -0.00 -0.02 1.42 0.08 0.04 0.00 0.00 177.00 178.52 1sjb s VAL 341 N 1.00 2.97 0.35 -0.36 1.01 -0.43 -4.93 120.40 120.00 1sjb s VAL 341 Ca 0.44 0.75 -0.29 0.00 0.00 0.00 0.00 61.98 62.88 1sjb s VAL 341 Cb -0.19 -3.48 -0.11 0.00 0.00 0.00 0.00 36.38 32.60 1sjb s VAL 341 CO 0.22 0.09 1.53 -2.84 0.00 0.00 0.00 175.10 174.10 1sjb s PRO 342 N 0.44 4.10 -0.02 2.72 0.02 -1.26 -4.95 135.00 136.05 1sjb s PRO 342 Ca 0.62 2.59 0.18 0.00 0.02 0.00 0.00 61.00 64.42 1sjb s PRO 342 Cb -0.40 -2.98 -0.26 0.00 0.02 0.00 0.00 34.50 30.88 1sjb s PRO 342 CO 0.36 -0.58 0.50 0.25 -0.33 0.00 0.00 177.00 177.19 1sjb n THR 343 N 1.06 0.00 -1.58 0.99 -2.24 -1.26 -4.80 114.28 106.44 1sjb n THR 343 Ca 0.04 -0.33 -0.29 0.00 -2.27 0.00 0.00 64.05 61.20 1sjb n THR 343 Cb 0.38 0.33 0.16 0.00 -2.10 0.00 0.00 70.33 69.10 1sjb n THR 343 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1sjb s GLY 344 N -3.73 1.62 0.65 3.38 0.00 -1.26 -4.82 107.32 103.16 1sjb s GLY 344 Ca -0.03 -0.75 -0.17 0.00 0.00 0.00 0.00 44.72 43.77 1sjb s GLY 344 CO 0.76 -0.10 1.19 2.56 0.00 0.00 0.00 173.10 177.51 1sjb s PRO 345 N -5.46 2.68 5.52 2.90 0.04 -1.26 -4.06 135.00 135.36 1sjb s PRO 345 Ca 0.67 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.45 1sjb s PRO 345 Cb -0.11 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1sjb s PRO 345 CO 0.53 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.56 1sjb n GLY 346 N 0.32 2.51 0.24 0.56 0.00 0.53 -2.19 105.19 107.17 1sjb n GLY 346 Ca 0.13 -0.44 0.01 0.00 0.00 0.00 0.00 46.02 45.72 1sjb n GLY 346 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sjb h LEU 347 N 0.00 0.26 0.00 0.99 3.38 -1.85 -0.74 115.31 117.35 1sjb h LEU 347 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1sjb h LEU 347 Cb 0.00 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1sjb h LEU 347 CO 0.00 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.29 1sjb n GLY 348 N -1.30 0.65 3.29 0.83 0.00 -0.93 -4.60 105.19 103.13 1sjb n GLY 348 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 1sjb n GLY 348 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sjb s VAL 349 N -2.00 0.94 0.13 1.61 1.01 -1.26 -4.58 120.40 116.25 1sjb s VAL 349 Ca 0.00 -2.02 -0.15 0.00 0.00 0.00 0.00 61.98 59.81 1sjb s VAL 349 Cb 0.00 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.19 1sjb s VAL 349 CO 0.00 -0.42 0.38 0.00 0.00 0.00 0.00 175.10 175.06 1sjb s ALA 350 N -3.48 -0.79 0.17 5.51 0.00 -1.26 -5.04 121.76 116.87 1sjb s ALA 350 Ca 0.26 -0.19 -0.26 0.00 0.00 0.00 0.00 51.96 51.77 1sjb s ALA 350 Cb 0.05 0.70 -0.08 0.00 0.00 0.00 0.00 23.12 23.79 1sjb s ALA 350 CO 0.06 -0.65 0.80 -1.25 0.00 0.00 0.00 175.76 174.72 1sjb s PRO 351 N -3.83 4.61 -0.69 0.00 0.05 -1.25 -4.23 135.00 129.66 1sjb s PRO 351 Ca 0.05 1.20 -0.22 0.00 0.05 0.00 0.00 61.00 62.08 1sjb s PRO 351 Cb 0.02 -3.27 0.08 0.00 0.05 0.00 0.00 34.50 31.38 1sjb s PRO 351 CO -0.10 0.56 0.97 0.42 0.05 0.00 0.00 177.00 178.90 1sjb s ILE 352 N -1.13 4.40 0.32 0.56 1.01 0.63 -4.91 121.20 122.08 1sjb s ILE 352 Ca 0.36 -0.55 0.13 0.00 0.00 0.00 0.00 60.65 60.59 1sjb s ILE 352 Cb -0.23 -4.68 0.34 0.00 0.01 0.00 0.00 42.46 37.89 1sjb s ILE 352 CO 0.27 -1.44 1.43 -2.65 0.00 0.00 0.00 174.94 172.55 1sjb n PRO 353 N 7.48 -0.06 -0.04 2.79 -0.02 -1.26 0.36 135.00 144.24 1sjb n PRO 353 Ca -0.01 1.29 -0.09 0.00 -2.02 0.00 0.00 63.50 62.68 1sjb n PRO 353 Cb 0.46 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 1sjb n PRO 353 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1sjb h GLU 354 N 0.00 0.10 -0.55 -0.52 5.08 -1.96 -0.30 114.58 116.43 1sjb h GLU 354 Ca 0.69 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.97 1sjb h GLU 354 Cb 1.70 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.91 1sjb h GLU 354 CO -0.76 0.07 0.07 -0.07 -1.00 0.00 0.00 179.01 177.31 1sjb h LEU 355 N 0.10 0.90 0.78 1.33 3.38 0.59 -2.83 115.31 119.55 1sjb h LEU 355 Ca 0.09 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 1sjb h LEU 355 Cb 0.10 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.62 1sjb h LEU 355 CO -0.14 0.94 -0.38 0.25 0.09 0.00 0.00 178.44 179.20 1sjb h LEU 356 N 0.81 -0.92 -1.85 1.67 6.46 -0.42 -2.80 115.31 118.27 1sjb h LEU 356 Ca 0.16 0.03 0.22 0.00 -0.12 0.00 0.00 57.88 58.18 1sjb h LEU 356 Cb 0.44 0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.57 1sjb h LEU 356 CO 0.02 -0.64 0.58 0.44 -0.62 0.00 0.00 178.44 178.22 1sjb h ASP 357 N -1.06 0.12 -0.82 1.25 3.32 -1.16 0.70 116.42 118.78 1sjb h ASP 357 Ca -0.11 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 1sjb h ASP 357 Cb 0.81 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.32 1sjb h ASP 357 CO 0.17 0.05 0.36 -0.33 -1.72 0.00 0.00 179.24 177.77 1sjb h GLU 358 N 0.12 1.21 -0.02 3.56 5.08 -1.24 -3.16 114.58 120.13 1sjb h GLU 358 Ca 0.41 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1sjb h GLU 358 Cb 1.42 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1sjb h GLU 358 CO -0.06 0.95 -0.28 1.33 -1.00 0.00 0.00 179.01 179.96 1sjb n VAL 359 N -4.29 0.00 -2.59 3.13 0.24 0.22 -4.99 118.33 110.04 1sjb n VAL 359 Ca 0.08 -0.34 -0.42 0.00 -2.04 0.00 0.00 64.34 61.62 1sjb n VAL 359 Cb 0.16 1.27 -0.03 0.00 -1.47 0.00 0.00 33.84 33.77 1sjb n VAL 359 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1sjb s THR 360 N -2.29 4.43 -0.17 3.34 2.01 0.31 -0.68 115.64 122.58 1sjb s THR 360 Ca 0.23 1.80 0.10 0.00 0.31 0.00 0.00 61.69 64.13 1sjb s THR 360 Cb 0.19 -4.15 -0.18 0.00 0.01 0.00 0.00 72.50 68.37 1sjb s THR 360 CO 0.46 0.17 -0.02 0.35 -0.69 0.00 0.00 174.62 174.89 1sjb n THR 361 N 3.64 1.12 -3.67 -0.82 -2.24 0.66 -4.95 114.28 108.03 1sjb n THR 361 Ca 0.06 -0.60 -0.13 0.00 -2.27 0.00 0.00 64.05 61.12 1sjb n THR 361 Cb 0.49 -0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 67.86 1sjb n THR 361 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sjb s ALA 362 N -2.39 -0.99 -0.01 6.98 0.00 -1.17 -4.94 121.76 119.25 1sjb s ALA 362 Ca -0.15 0.28 -0.07 0.00 0.00 0.00 0.00 51.96 52.03 1sjb s ALA 362 Cb 0.06 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.54 1sjb s ALA 362 CO 0.59 -0.46 0.13 0.15 0.00 0.00 0.00 175.76 176.18 1sjb s LYS 363 N -2.53 0.42 -0.22 0.00 1.02 -1.25 0.11 119.74 117.29 1sjb s LYS 363 Ca -0.05 -0.30 -0.16 0.00 0.02 0.00 0.00 55.97 55.48 1sjb s LYS 363 Cb -0.01 0.18 0.06 0.00 -0.52 0.00 0.00 37.83 37.54 1sjb s LYS 363 CO -0.03 -0.10 0.56 0.54 -0.92 0.00 0.00 175.35 175.41 1sjb s VAL 364 N -1.12 -0.01 -0.10 3.17 0.11 0.05 -4.96 120.40 117.54 1sjb s VAL 364 Ca -0.12 0.02 -0.13 0.00 -2.93 0.00 0.00 61.98 58.83 1sjb s VAL 364 Cb -0.07 -0.81 -0.05 0.00 -1.53 0.00 0.00 36.38 33.93 1sjb s VAL 364 CO 0.01 0.01 0.30 0.86 -3.33 0.00 0.00 175.10 172.95 1sjb s TRP 365 N 0.94 3.59 -0.33 1.54 -0.11 -1.26 -0.11 118.94 123.19 1sjb s TRP 365 Ca -0.05 0.72 -0.00 0.00 1.22 0.00 0.00 56.10 57.99 1sjb s TRP 365 Cb -0.05 -2.23 0.11 0.00 -1.50 0.00 0.00 33.47 29.79 1sjb s TRP 365 CO -0.08 0.49 0.12 0.42 -4.62 0.00 0.00 176.95 173.28 1sjb s ILE 366 N -0.41 0.92 0.00 5.86 1.09 0.70 -4.99 121.20 124.38 1sjb s ILE 366 Ca 0.19 -1.57 0.00 0.00 -1.10 0.00 0.00 60.65 58.17 1sjb s ILE 366 Cb -0.14 -1.69 0.00 0.00 -1.06 0.00 0.00 42.46 39.57 1sjb s ILE 366 CO 0.07 -0.72 0.00 0.61 -0.10 0.00 0.00 174.94 174.80