#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 1.27 -0.16 0.03 2.36 -1.26 -1.25 119.74 120.72 1sjb s LYS 2 Ca 0.00 -0.42 -0.26 0.00 -2.55 0.00 0.00 55.97 52.74 1sjb s LYS 2 Cb 0.00 -1.14 -0.01 0.00 -1.05 0.00 0.00 37.83 35.62 1sjb s LYS 2 CO 0.00 0.16 0.88 -1.17 1.55 0.00 0.00 175.35 176.77 1sjb s LEU 3 N 0.13 4.18 -0.11 5.43 2.96 -1.26 -3.88 118.68 126.13 1sjb s LEU 3 Ca -0.03 1.25 -0.16 0.00 -0.22 0.00 0.00 54.13 54.97 1sjb s LEU 3 Cb -0.10 -3.32 -0.27 0.00 0.50 0.00 0.00 46.19 43.01 1sjb s LEU 3 CO 0.01 -0.43 0.54 0.28 -1.32 0.00 0.00 176.35 175.43 1sjb h SER 4 N 7.30 0.36 0.00 3.68 0.02 -0.36 -3.46 113.55 121.10 1sjb h SER 4 Ca -0.29 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 59.82 1sjb h SER 4 Cb 1.13 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1sjb h SER 4 CO 0.85 1.62 0.00 0.61 -1.14 0.00 0.00 176.83 178.77 1sjb n GLY 5 N 1.74 1.24 3.22 -3.77 0.00 -1.00 -4.66 105.19 101.95 1sjb n GLY 5 Ca -0.25 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.00 1.39 -0.20 1.61 1.01 0.46 0.33 120.40 123.00 1sjb s VAL 6 Ca 0.00 -1.38 -0.01 0.00 0.00 0.00 0.00 61.98 60.59 1sjb s VAL 6 Cb 0.00 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 35.10 1sjb s VAL 6 CO 0.00 -0.12 -0.12 -0.70 0.00 0.00 0.00 175.10 174.16 1sjb s GLU 7 N -1.74 3.12 -0.28 2.72 2.12 -0.34 0.30 118.70 124.59 1sjb s GLU 7 Ca 0.02 -0.77 -0.13 0.00 0.36 0.00 0.00 54.97 54.45 1sjb s GLU 7 Cb -0.10 -2.79 -0.04 0.00 0.26 0.00 0.00 34.13 31.46 1sjb s GLU 7 CO 0.03 -0.23 0.28 -0.51 -0.54 0.00 0.00 175.26 174.29 1sjb s LEU 8 N 1.37 4.06 -0.02 2.70 1.43 0.31 -1.77 118.68 126.75 1sjb s LEU 8 Ca 0.05 0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.29 1sjb s LEU 8 Cb -0.14 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 1sjb s LEU 8 CO -0.08 -0.12 -0.16 -0.13 0.23 0.00 0.00 176.35 176.08 1sjb s ARG 9 N 1.90 2.36 -0.08 1.70 0.52 -0.69 0.10 118.95 124.76 1sjb s ARG 9 Ca 0.11 -0.79 -0.05 0.00 -0.52 0.00 0.00 55.73 54.48 1sjb s ARG 9 Cb -0.16 -2.30 -0.04 0.00 0.52 0.00 0.00 34.95 32.97 1sjb s ARG 9 CO 0.11 0.60 0.11 1.03 0.02 0.00 0.00 175.30 177.16 1sjb s ARG 10 N -0.91 3.29 0.03 3.54 3.00 -1.01 -1.22 118.95 125.67 1sjb s ARG 10 Ca 0.12 -0.26 0.01 0.00 0.00 0.00 0.00 55.73 55.60 1sjb s ARG 10 Cb -0.11 -3.05 -0.02 0.00 0.00 0.00 0.00 34.95 31.77 1sjb s ARG 10 CO 0.02 0.73 -0.05 0.08 0.00 0.00 0.00 175.30 176.08 1sjb s VAL 11 N -1.05 0.27 -0.05 3.52 1.01 -0.97 -1.41 120.40 121.71 1sjb s VAL 11 Ca 0.17 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1sjb s VAL 11 Cb -0.12 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 35.90 1sjb s VAL 11 CO 0.07 -0.44 -0.07 -1.58 0.00 0.00 0.00 175.10 173.08 1sjb s GLN 12 N -1.45 1.10 -0.03 2.72 0.74 -0.89 -0.44 119.66 121.41 1sjb s GLN 12 Ca -0.13 -0.19 0.02 0.00 0.05 0.00 0.00 55.36 55.11 1sjb s GLN 12 Cb -0.10 -1.04 0.00 0.00 1.10 0.00 0.00 33.01 32.98 1sjb s GLN 12 CO -0.00 -0.07 -0.08 -1.64 -0.55 0.00 0.00 175.29 172.94 1sjb s MET 13 N 0.93 0.88 0.11 1.67 -1.94 0.21 -4.73 119.30 116.44 1sjb s MET 13 Ca -0.11 -0.27 -0.28 0.00 -1.71 0.00 0.00 55.69 53.33 1sjb s MET 13 Cb -0.15 -0.84 -0.06 0.00 2.01 0.00 0.00 34.83 35.80 1sjb s MET 13 CO 0.00 0.09 0.87 -2.14 -0.01 0.00 0.00 175.02 173.83 1sjb s PRO 14 N 0.25 4.62 0.21 2.03 0.02 -1.26 0.21 135.00 141.08 1sjb s PRO 14 Ca -0.04 1.28 -0.26 0.00 0.02 0.00 0.00 61.00 62.00 1sjb s PRO 14 Cb -0.09 -3.35 -0.08 0.00 0.02 0.00 0.00 34.50 31.00 1sjb s PRO 14 CO 0.00 0.31 0.84 -0.51 -0.33 0.00 0.00 177.00 177.31 1sjb s LEU 15 N -0.27 4.57 0.43 -5.54 1.43 -0.62 -4.64 118.68 114.04 1sjb s LEU 15 Ca 0.42 1.74 0.17 0.00 -1.03 0.00 0.00 54.13 55.43 1sjb s LEU 15 Cb -0.23 -3.48 1.09 0.00 0.03 0.00 0.00 46.19 43.60 1sjb s LEU 15 CO 0.27 0.16 1.88 -0.37 0.23 0.00 0.00 176.35 178.52 1sjb h VAL 16 N 3.16 0.72 -2.46 -1.59 -1.51 -1.60 -3.41 116.25 109.55 1sjb h VAL 16 Ca -0.46 -0.14 -0.09 0.00 -1.23 0.00 0.00 66.70 64.78 1sjb h VAL 16 Cb 1.20 0.29 -0.22 0.00 -2.13 0.00 0.00 31.29 30.43 1sjb h VAL 16 CO 0.66 0.07 -0.08 0.00 -1.23 0.00 0.00 177.57 177.00 1sjb s ALA 17 N -5.40 -1.31 0.21 5.19 0.00 -1.26 -5.11 121.76 114.08 1sjb s ALA 17 Ca -0.08 1.33 -0.32 0.00 0.00 0.00 0.00 51.96 52.89 1sjb s ALA 17 Cb 0.22 -0.65 -0.14 0.00 0.00 0.00 0.00 23.12 22.56 1sjb s ALA 17 CO 0.78 -0.27 1.42 -0.35 0.00 0.00 0.00 175.76 177.34 1sjb n PRO 18 N 2.36 1.96 -3.69 0.00 -0.04 -1.26 -4.90 135.00 129.44 1sjb n PRO 18 Ca -0.15 0.70 -0.38 0.00 -0.04 0.00 0.00 63.50 63.62 1sjb n PRO 18 Cb 0.56 -2.37 -0.12 0.00 -0.04 0.00 0.00 33.50 31.54 1sjb n PRO 18 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1sjb s PHE 19 N 0.16 3.19 -0.21 0.54 5.99 0.84 -4.88 117.98 123.62 1sjb s PHE 19 Ca 0.71 -0.91 -0.05 0.00 0.00 0.00 0.00 56.93 56.69 1sjb s PHE 19 Cb -0.68 -2.33 -0.02 0.00 0.00 0.00 0.00 43.02 39.99 1sjb s PHE 19 CO 0.47 -0.57 0.00 0.50 -0.00 0.00 0.00 175.22 175.62 1sjb s ARG 20 N 1.53 3.56 0.45 10.12 3.52 -1.26 0.15 118.95 137.03 1sjb s ARG 20 Ca 0.03 -0.54 0.05 0.00 -0.13 0.00 0.00 55.73 55.13 1sjb s ARG 20 Cb -0.18 -3.10 -0.05 0.00 -1.56 0.00 0.00 34.95 30.06 1sjb s ARG 20 CO 0.05 -0.08 0.05 0.95 -0.81 0.00 0.00 175.30 175.46 1sjb s THR 21 N 1.23 1.74 0.66 4.11 -4.23 -0.07 0.17 115.64 119.26 1sjb s THR 21 Ca 0.03 -1.93 0.37 0.00 -1.18 0.00 0.00 61.69 58.98 1sjb s THR 21 Cb -0.15 -2.67 0.38 0.00 1.34 0.00 0.00 72.50 71.40 1sjb s THR 21 CO 0.01 0.00 2.16 0.77 -0.54 0.00 0.00 174.62 177.02 1sjb h SER 22 N 1.53 0.00 0.55 3.99 4.64 -1.84 0.25 113.55 122.66 1sjb h SER 22 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1sjb h SER 22 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1sjb h SER 22 CO 0.76 0.00 -1.03 2.22 -0.87 0.00 0.00 176.83 177.91 1sjb n PHE 23 N -3.03 0.39 -1.55 4.77 -1.74 -1.26 -5.02 117.46 110.02 1sjb n PHE 23 Ca -0.02 0.11 0.00 0.00 -0.56 0.00 0.00 57.45 56.98 1sjb n PHE 23 Cb 0.22 -0.55 0.00 0.00 1.52 0.00 0.00 39.48 40.68 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 1.33 0.23 3.49 4.97 0.00 0.08 -5.06 105.19 110.22 1sjb n GLY 24 Ca 0.01 -1.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.67 3.14 -0.13 2.61 2.01 -1.26 -0.89 115.64 118.45 1sjb s THR 25 Ca 0.00 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.33 1sjb s THR 25 Cb 0.00 -2.24 0.01 0.00 0.01 0.00 0.00 72.50 70.28 1sjb s THR 25 CO 0.00 0.59 -0.22 -1.58 -0.69 0.00 0.00 174.62 172.72 1sjb s GLN 26 N -0.75 2.94 -0.02 4.92 0.74 0.12 -4.94 119.66 122.68 1sjb s GLN 26 Ca 0.12 -0.83 0.03 0.00 0.05 0.00 0.00 55.36 54.72 1sjb s GLN 26 Cb -0.11 -2.35 -0.04 0.00 1.10 0.00 0.00 33.01 31.62 1sjb s GLN 26 CO 0.01 0.02 0.03 0.43 -0.55 0.00 0.00 175.29 175.23 1sjb n SER 27 N 3.97 4.36 -4.10 6.67 7.64 -1.26 0.29 113.62 131.19 1sjb n SER 27 Ca -0.20 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.54 1sjb n SER 27 Cb 0.52 0.80 -0.11 0.00 -1.01 0.00 0.00 64.21 64.40 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 -2.12 0.68 -0.22 0.44 1.01 -1.26 -1.59 120.40 117.34 1sjb s VAL 28 Ca -0.01 -1.23 -0.01 0.00 0.00 0.00 0.00 61.98 60.73 1sjb s VAL 28 Cb 0.01 -0.83 0.02 0.00 0.00 0.00 0.00 36.38 35.58 1sjb s VAL 28 CO 0.11 -0.41 -0.10 -0.60 0.00 0.00 0.00 175.10 174.10 1sjb s ARG 29 N -1.88 3.00 -0.48 2.72 3.00 0.56 -4.85 118.95 121.01 1sjb s ARG 29 Ca -0.06 -0.86 -0.13 0.00 -1.00 0.00 0.00 55.73 53.68 1sjb s ARG 29 Cb -0.08 -2.86 0.10 0.00 0.00 0.00 0.00 34.95 32.10 1sjb s ARG 29 CO 0.00 -0.30 0.39 -1.21 0.00 0.00 0.00 175.30 174.18 1sjb s GLU 30 N 1.35 2.83 0.68 5.12 2.02 -1.26 0.66 118.70 130.10 1sjb s GLU 30 Ca 0.03 -1.52 0.05 0.00 0.02 0.00 0.00 54.97 53.54 1sjb s GLU 30 Cb -0.15 -4.07 0.13 0.00 0.10 0.00 0.00 34.13 30.13 1sjb s GLU 30 CO -0.07 -1.11 0.93 -0.51 0.02 0.00 0.00 175.26 174.52 1sjb s LEU 31 N 1.55 2.96 -0.15 1.80 1.02 0.41 -4.48 118.68 121.79 1sjb s LEU 31 Ca 0.04 -0.71 -0.04 0.00 0.02 0.00 0.00 54.13 53.44 1sjb s LEU 31 Cb -0.26 -1.58 0.07 0.00 0.02 0.00 0.00 46.19 44.44 1sjb s LEU 31 CO 0.04 -1.73 0.21 -0.22 0.02 0.00 0.00 176.35 174.66 1sjb s LEU 32 N -4.97 -0.13 0.16 1.79 2.96 -1.26 -2.30 118.68 114.93 1sjb s LEU 32 Ca 0.66 0.08 0.09 0.00 -0.22 0.00 0.00 54.13 54.75 1sjb s LEU 32 Cb -0.04 0.40 -0.04 0.00 0.50 0.00 0.00 46.19 47.00 1sjb s LEU 32 CO 0.43 -0.29 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.25 1sjb s LEU 33 N 2.33 2.76 0.01 -0.68 1.43 -0.36 -1.48 118.68 122.70 1sjb s LEU 33 Ca 0.05 -0.63 0.07 0.00 -1.03 0.00 0.00 54.13 52.59 1sjb s LEU 33 Cb -0.14 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 1sjb s LEU 33 CO -0.10 0.14 -0.22 -0.76 0.23 0.00 0.00 176.35 175.64 1sjb s LEU 34 N -2.54 2.10 -0.30 1.79 1.43 0.27 -1.70 118.68 119.73 1sjb s LEU 34 Ca 0.21 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1sjb s LEU 34 Cb -0.09 -1.11 0.08 0.00 0.03 0.00 0.00 46.19 45.10 1sjb s LEU 34 CO 0.12 0.23 -0.01 -0.60 0.23 0.00 0.00 176.35 176.33 1sjb s ARG 35 N -0.85 1.64 0.13 1.70 3.52 -0.73 -0.64 118.95 123.72 1sjb s ARG 35 Ca 0.09 -1.49 -0.24 0.00 -0.13 0.00 0.00 55.73 53.97 1sjb s ARG 35 Cb -0.09 -2.88 -0.07 0.00 -1.56 0.00 0.00 34.95 30.35 1sjb s ARG 35 CO 0.00 -0.78 0.72 0.00 -0.81 0.00 0.00 175.30 174.43 1sjb s ALA 36 N 1.12 3.49 -0.19 6.12 0.00 0.16 -1.20 121.76 131.25 1sjb s ALA 36 Ca 0.02 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.25 1sjb s ALA 36 Cb -0.19 -2.87 0.04 0.00 0.00 0.00 0.00 23.12 20.10 1sjb s ALA 36 CO -0.09 0.31 -0.10 0.08 0.00 0.00 0.00 175.76 175.96 1sjb s VAL 37 N -1.08 1.58 0.26 0.00 1.01 0.15 -1.84 120.40 120.48 1sjb s VAL 37 Ca 0.34 -0.92 0.12 0.00 0.00 0.00 0.00 61.98 61.52 1sjb s VAL 37 Cb -0.22 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 1sjb s VAL 37 CO 0.24 0.21 -0.19 0.42 0.00 0.00 0.00 175.10 175.78 1sjb s THR 38 N 1.43 2.57 0.26 3.92 -4.23 -0.61 0.46 115.64 119.44 1sjb s THR 38 Ca -0.00 -2.28 -0.11 0.00 -1.18 0.00 0.00 61.69 58.12 1sjb s THR 38 Cb -0.16 -2.33 0.39 0.00 1.34 0.00 0.00 72.50 71.75 1sjb s THR 38 CO -0.08 -0.34 1.56 -0.65 -0.54 0.00 0.00 174.62 174.56 1sjb h PRO 39 N 2.41 -0.00 0.51 3.99 0.11 -1.97 -2.63 132.00 134.42 1sjb h PRO 39 Ca -0.42 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 1sjb h PRO 39 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1sjb h PRO 39 CO 0.58 -0.00 -0.24 0.00 -0.21 0.00 0.00 178.00 178.12 1sjb h ALA 40 N 1.81 -1.16 -3.00 -0.75 0.00 -1.96 -3.50 119.26 110.71 1sjb h ALA 40 Ca 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1sjb h ALA 40 Cb 0.69 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1sjb h ALA 40 CO -1.01 -1.11 0.00 0.41 0.00 0.00 0.00 179.25 177.53 1sjb n GLY 41 N -1.28 3.83 3.48 0.00 0.00 -0.99 -5.14 105.19 105.10 1sjb n GLY 41 Ca -0.08 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 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 3.06 1.67 0.03 1.61 2.02 -1.26 -1.57 118.70 124.26 1sjb s GLU 42 Ca 0.00 -1.87 -0.03 0.00 0.02 0.00 0.00 54.97 53.09 1sjb s GLU 42 Cb 0.00 -1.33 -0.02 0.00 0.10 0.00 0.00 34.13 32.88 1sjb s GLU 42 CO 0.00 0.04 0.05 0.20 0.02 0.00 0.00 175.26 175.57 1sjb s GLY 43 N -3.52 0.22 -0.03 -1.39 0.00 -0.77 -4.22 107.32 97.62 1sjb s GLY 43 Ca 0.31 -0.61 0.05 0.00 0.00 0.00 0.00 44.72 44.47 1sjb s GLY 43 CO 0.14 -0.72 -0.17 -0.98 0.00 0.00 0.00 173.10 171.37 1sjb s TRP 44 N -2.33 2.62 -0.03 1.90 0.52 -1.25 -0.67 118.94 119.70 1sjb s TRP 44 Ca -0.07 -0.22 0.03 0.00 0.02 0.00 0.00 56.10 55.86 1sjb s TRP 44 Cb -0.03 -1.58 -0.00 0.00 -1.15 0.00 0.00 33.47 30.71 1sjb s TRP 44 CO -0.04 0.17 -0.13 0.20 0.02 0.00 0.00 176.95 177.17 1sjb s GLY 45 N -0.85 0.70 -0.08 0.98 0.00 0.19 -3.28 107.32 104.98 1sjb s GLY 45 Ca 0.12 -0.51 0.03 0.00 0.00 0.00 0.00 44.72 44.36 1sjb s GLY 45 CO 0.01 -0.26 -0.15 1.85 0.00 0.00 0.00 173.10 174.55 1sjb s GLU 46 N 0.04 2.80 -0.17 2.90 2.12 -1.26 0.95 118.70 126.08 1sjb s GLU 46 Ca -0.02 -0.72 -0.06 0.00 0.36 0.00 0.00 54.97 54.54 1sjb s GLU 46 Cb -0.09 -2.43 -0.04 0.00 0.26 0.00 0.00 34.13 31.83 1sjb s GLU 46 CO 0.01 0.46 0.02 0.00 -0.54 0.00 0.00 175.26 175.21 1sjb n VAL 48 N 3.49 0.00 -1.11 0.00 0.24 -1.26 -4.23 118.33 115.46 1sjb n VAL 48 Ca -0.17 -0.04 -0.32 0.00 -2.04 0.00 0.00 64.34 61.77 1sjb n VAL 48 Cb 0.52 -0.24 0.12 0.00 -1.47 0.00 0.00 33.84 32.77 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 -2.41 2.68 0.49 3.34 -4.23 -1.26 -5.01 115.64 109.23 1sjb s THR 49 Ca 0.32 0.24 0.02 0.00 -1.18 0.00 0.00 61.69 61.09 1sjb s THR 49 Cb 0.20 -2.57 -0.02 0.00 1.34 0.00 0.00 72.50 71.46 1sjb s THR 49 CO 0.45 -0.26 0.02 -0.04 -0.54 0.00 0.00 174.62 174.25 1sjb s MET 50 N -4.58 2.14 0.15 3.99 1.00 -1.26 -4.67 119.30 116.07 1sjb s MET 50 Ca 0.66 -2.35 -0.31 0.00 0.00 0.00 0.00 55.69 53.69 1sjb s MET 50 Cb -0.21 -1.41 -0.07 0.00 0.00 0.00 0.00 34.83 33.14 1sjb s MET 50 CO 0.54 -0.35 1.55 0.00 0.00 0.00 0.00 175.02 176.75 1sjb h ALA 51 N 1.45 -0.63 -1.42 3.03 0.00 -1.94 0.17 119.26 119.91 1sjb h ALA 51 Ca -0.43 0.06 -0.54 0.00 0.00 0.00 0.00 54.91 54.00 1sjb h ALA 51 Cb 1.30 1.19 -0.06 0.00 0.00 0.00 0.00 17.79 20.22 1sjb h ALA 51 CO 0.72 -0.99 -0.43 0.20 0.00 0.00 0.00 179.25 178.76 1sjb s GLY 52 N -2.50 2.28 -1.26 0.00 0.00 -1.26 -3.90 107.32 100.69 1sjb s GLY 52 Ca -0.14 -1.90 -0.05 0.00 0.00 0.00 0.00 44.72 42.63 1sjb s GLY 52 CO 0.62 -1.84 2.19 -1.55 0.00 0.00 0.00 173.10 172.52 1sjb n PRO 53 N -1.41 4.62 -0.08 2.90 -0.04 -1.26 -4.57 135.00 135.15 1sjb n PRO 53 Ca 0.00 -3.72 -0.14 0.00 -0.04 0.00 0.00 63.50 59.61 1sjb n PRO 53 Cb 0.64 -2.64 -0.14 0.00 -0.04 0.00 0.00 33.50 31.32 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 1.67 1.38 0.03 1.53 4.77 -1.26 -4.49 117.00 120.63 1sjb n LEU 54 Ca 0.56 0.08 -0.21 0.00 -0.03 0.00 0.00 56.01 56.40 1sjb n LEU 54 Cb 0.27 -0.19 -0.14 0.00 -2.33 0.00 0.00 43.42 41.02 1sjb n LEU 54 CO 0.68 0.65 -0.24 0.22 -1.33 0.00 0.00 177.39 177.37 1sjb h TYR 55 N 0.01 0.49 -4.29 -1.77 5.03 -1.90 -3.48 116.97 111.06 1sjb h TYR 55 Ca -0.49 -0.36 -0.32 0.00 2.58 0.00 0.00 58.73 60.14 1sjb h TYR 55 Cb 2.08 -0.02 -0.09 0.00 1.55 0.00 0.00 36.73 40.25 1sjb h TYR 55 CO 0.02 1.46 -0.25 -1.54 -1.32 0.00 0.00 178.16 176.53 1sjb s SER 56 N -7.02 1.12 0.56 -2.11 1.04 -1.26 -5.05 113.70 100.98 1sjb s SER 56 Ca -0.17 -1.56 0.34 0.00 0.48 0.00 0.00 55.95 55.03 1sjb s SER 56 Cb 0.03 0.65 1.60 0.00 0.10 0.00 0.00 66.02 68.41 1sjb s SER 56 CO 0.79 -1.26 2.09 0.77 0.98 0.00 0.00 173.24 176.61 1sjb h SER 57 N 2.10 0.00 -3.55 7.02 4.64 -1.94 -3.40 113.55 118.42 1sjb h SER 57 Ca -0.28 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.52 1sjb h SER 57 Cb 1.24 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.30 1sjb h SER 57 CO 0.38 0.06 0.25 -1.61 -0.87 0.00 0.00 176.83 175.04 1sjb s GLU 58 N -3.94 4.63 0.03 4.77 2.02 -1.26 -4.75 118.70 120.20 1sjb s GLU 58 Ca -0.02 1.26 -0.01 0.00 0.02 0.00 0.00 54.97 56.22 1sjb s GLU 58 Cb 0.11 -3.32 -0.02 0.00 0.10 0.00 0.00 34.13 31.00 1sjb s GLU 58 CO 0.53 0.39 -0.00 1.52 0.02 0.00 0.00 175.26 177.72 1sjb s TYR 59 N -0.56 0.30 0.20 1.61 1.13 -1.26 -4.43 117.35 114.33 1sjb s TYR 59 Ca 0.40 -0.63 -0.14 0.00 -1.41 0.00 0.00 57.07 55.29 1sjb s TYR 59 Cb -0.23 -0.22 0.22 0.00 -1.10 0.00 0.00 41.96 40.63 1sjb s TYR 59 CO 0.27 -0.26 1.31 0.09 -2.51 0.00 0.00 175.55 174.45 1sjb n ASN 60 N 1.15 -0.53 -0.03 -0.18 3.02 0.58 -0.53 115.26 118.73 1sjb n ASN 60 Ca -0.21 1.47 -0.02 0.00 -0.03 0.00 0.00 54.58 55.79 1sjb n ASN 60 Cb 0.57 -0.35 0.24 0.00 -0.61 0.00 0.00 39.78 39.63 1sjb n ASN 60 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1sjb h ASP 61 N 0.00 0.57 0.57 6.41 3.32 -1.84 -1.26 116.42 124.19 1sjb h ASP 61 Ca 0.30 -0.13 -0.12 0.00 0.02 0.00 0.00 57.03 57.10 1sjb h ASP 61 Cb 0.51 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1sjb h ASP 61 CO -0.84 0.67 -0.59 1.23 -1.72 0.00 0.00 179.24 177.99 1sjb h GLY 62 N 0.91 0.02 0.81 2.75 0.00 -1.19 -2.77 103.07 103.60 1sjb h GLY 62 Ca 0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 1sjb h GLY 62 CO 0.02 0.02 -0.29 0.00 0.00 0.00 0.00 176.54 176.29 1sjb h ALA 63 N 1.40 -0.81 -0.65 3.60 0.00 -1.00 -0.61 119.26 121.18 1sjb h ALA 63 Ca -0.01 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 54.84 1sjb h ALA 63 Cb 1.04 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 19.03 1sjb h ALA 63 CO 0.08 -0.86 -0.06 1.49 0.00 0.00 0.00 179.25 179.90 1sjb h GLU 64 N -1.02 0.06 -0.08 0.00 4.81 -1.24 0.42 114.58 117.54 1sjb h GLU 64 Ca -0.08 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1sjb h GLU 64 Cb 0.68 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 1sjb h GLU 64 CO 0.14 0.04 0.05 1.25 -0.73 0.00 0.00 179.01 179.76 1sjb h HIS 65 N 0.06 0.11 -0.41 0.92 2.76 -1.37 0.34 115.15 117.56 1sjb h HIS 65 Ca 0.34 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.39 1sjb h HIS 65 Cb 0.55 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 1sjb h HIS 65 CO -0.44 0.09 -0.19 -0.24 -1.30 0.00 0.00 177.93 175.85 1sjb h VAL 66 N 0.09 1.27 -0.08 5.26 3.04 -0.02 0.30 116.25 126.11 1sjb h VAL 66 Ca 0.03 -1.30 0.01 0.00 -1.01 0.00 0.00 66.70 64.42 1sjb h VAL 66 Cb 0.01 1.16 -0.01 0.00 -2.01 0.00 0.00 31.29 30.44 1sjb h VAL 66 CO -0.01 0.44 0.03 -0.07 -1.01 0.00 0.00 177.57 176.95 1sjb h LEU 67 N 0.71 0.03 0.26 3.16 3.38 0.19 0.79 115.31 123.83 1sjb h LEU 67 Ca 0.10 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1sjb h LEU 67 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1sjb h LEU 67 CO 0.05 0.03 -0.12 0.03 0.09 0.00 0.00 178.44 178.52 1sjb h ARG 68 N 0.07 -0.33 0.00 1.13 3.08 -0.18 0.17 114.38 118.32 1sjb h ARG 68 Ca 0.03 0.02 -0.23 0.00 0.07 0.00 0.00 59.98 59.87 1sjb h ARG 68 Cb 0.01 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1sjb h ARG 68 CO -0.03 -0.13 -1.35 0.45 -1.07 0.00 0.00 179.97 177.84 1sjb h HIS 69 N -0.47 0.00 0.00 3.04 3.86 -0.89 -3.40 115.15 117.29 1sjb h HIS 69 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1sjb h HIS 69 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1sjb h HIS 69 CO -0.02 0.88 -0.17 0.66 0.86 0.00 0.00 177.93 180.14 1sjb n TYR 70 N -3.12 0.00 0.31 2.45 4.02 0.26 -4.80 117.16 116.28 1sjb n TYR 70 Ca -0.09 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.67 1sjb n TYR 70 Cb 0.95 -0.08 -0.06 0.00 -0.02 0.00 0.00 39.34 40.13 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 -0.17 -0.75 -0.38 7.72 3.38 -1.19 -2.50 115.31 121.42 1sjb h LEU 71 Ca 0.00 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.08 1sjb h LEU 71 Cb 0.17 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 1sjb h LEU 71 CO 0.00 -0.50 -0.22 0.40 0.09 0.00 0.00 178.44 178.21 1sjb h ILE 72 N -0.81 0.38 -0.93 1.22 2.04 -0.88 0.13 117.51 118.65 1sjb h ILE 72 Ca -0.08 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.90 1sjb h ILE 72 Cb 0.63 0.38 -0.07 0.00 -0.74 0.00 0.00 36.82 37.02 1sjb h ILE 72 CO 0.11 0.00 0.60 -0.65 0.00 0.00 0.00 178.15 178.20 1sjb h PRO 73 N -0.16 0.85 -0.83 2.37 0.11 -1.73 0.26 132.00 132.86 1sjb h PRO 73 Ca 0.18 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.27 1sjb h PRO 73 Cb 0.45 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 31.33 1sjb h PRO 73 CO -0.48 0.56 0.55 0.00 -0.21 0.00 0.00 178.00 178.42 1sjb h ALA 74 N 1.56 1.48 0.01 -0.75 0.00 -0.30 -1.43 119.26 119.82 1sjb h ALA 74 Ca 0.45 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 55.10 1sjb h ALA 74 Cb 0.53 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1sjb h ALA 74 CO -0.22 0.45 -0.95 -0.07 0.00 0.00 0.00 179.25 178.46 1sjb h LEU 75 N 1.04 0.50 -1.93 0.00 3.38 0.29 -3.14 115.31 115.45 1sjb h LEU 75 Ca 0.32 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1sjb h LEU 75 Cb 0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1sjb h LEU 75 CO -0.09 1.21 -0.11 -0.07 0.09 0.00 0.00 178.44 179.47 1sjb h LEU 76 N 0.21 0.00 -0.07 1.67 3.38 -0.40 -2.74 115.31 117.37 1sjb h LEU 76 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1sjb h LEU 76 Cb 1.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1sjb h LEU 76 CO 0.16 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.80 1sjb h ALA 77 N 1.89 1.00 -2.31 1.53 0.00 -1.23 -3.46 119.26 116.68 1sjb h ALA 77 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.41 1sjb h ALA 77 Cb 0.22 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.04 1sjb h ALA 77 CO 0.01 0.00 0.15 0.00 0.00 0.00 0.00 179.25 179.42 1sjb s ALA 78 N -3.22 3.35 -0.12 0.00 0.00 -1.03 -5.02 121.76 115.72 1sjb s ALA 78 Ca 0.07 -0.40 -0.20 0.00 0.00 0.00 0.00 51.96 51.43 1sjb s ALA 78 Cb 0.06 -2.67 -0.18 0.00 0.00 0.00 0.00 23.12 20.33 1sjb s ALA 78 CO 0.66 -0.35 0.55 0.93 0.00 0.00 0.00 175.76 177.55 1sjb h GLU 79 N 0.29 -0.01 -5.43 0.00 5.08 -1.89 -3.45 114.58 109.17 1sjb h GLU 79 Ca -0.47 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.25 1sjb h GLU 79 Cb 1.20 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.23 1sjb h GLU 79 CO 0.62 0.66 -0.68 0.34 -1.00 0.00 0.00 179.01 178.94 1sjb s ASP 80 N -5.98 4.66 -0.04 1.42 -1.08 -1.26 -4.57 116.67 109.83 1sjb s ASP 80 Ca -0.13 -0.14 0.07 0.00 -0.52 0.00 0.00 52.55 51.83 1sjb s ASP 80 Cb -0.02 -1.67 -0.02 0.00 -1.46 0.00 0.00 42.92 39.76 1sjb s ASP 80 CO 0.47 0.20 -0.25 -0.63 0.52 0.00 0.00 175.17 175.48 1sjb s ILE 81 N 0.17 2.04 0.02 4.11 1.01 -0.38 -4.98 121.20 123.19 1sjb s ILE 81 Ca -0.03 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.54 1sjb s ILE 81 Cb -0.14 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 1sjb s ILE 81 CO 0.03 0.57 -0.03 0.42 0.00 0.00 0.00 174.94 175.94 1sjb s THR 82 N -0.40 0.10 0.16 2.92 -4.23 -1.26 -3.03 115.64 109.90 1sjb s THR 82 Ca 0.04 -0.78 -0.24 0.00 -1.18 0.00 0.00 61.69 59.53 1sjb s THR 82 Cb -0.12 -0.23 0.03 0.00 1.34 0.00 0.00 72.50 73.53 1sjb s THR 82 CO 0.01 -0.42 1.60 0.00 -0.54 0.00 0.00 174.62 175.27 1sjb h ALA 83 N 4.87 -0.25 -0.91 3.99 0.00 -1.91 -1.44 119.26 123.60 1sjb h ALA 83 Ca -0.31 0.08 0.20 0.00 0.00 0.00 0.00 54.91 54.88 1sjb h ALA 83 Cb 1.21 0.71 -0.07 0.00 0.00 0.00 0.00 17.79 19.64 1sjb h ALA 83 CO 0.42 -0.76 0.60 0.00 0.00 0.00 0.00 179.25 179.52 1sjb h ALA 84 N 0.64 2.17 0.00 0.00 0.00 -1.96 0.15 119.26 120.26 1sjb h ALA 84 Ca 0.15 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1sjb h ALA 84 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1sjb h ALA 84 CO -0.50 -0.46 -0.01 1.63 0.00 0.00 0.00 179.25 179.91 1sjb n LYS 85 N -4.53 0.09 -0.14 0.00 5.02 -0.60 -3.62 118.16 114.38 1sjb n LYS 85 Ca 0.20 0.07 -0.04 0.00 -2.02 0.00 0.00 58.31 56.52 1sjb n LYS 85 Cb 0.69 -1.60 0.05 0.00 -0.02 0.00 0.00 35.03 34.15 1sjb n LYS 85 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1sjb h VAL 86 N 0.00 0.81 0.09 -0.18 2.07 -0.09 -1.83 116.25 117.12 1sjb h VAL 86 Ca 0.00 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1sjb h VAL 86 Cb 0.58 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1sjb h VAL 86 CO 0.00 0.05 -0.33 0.74 0.02 0.00 0.00 177.57 178.05 1sjb h THR 87 N 0.28 0.00 -0.06 2.57 2.02 -1.71 0.17 112.91 116.19 1sjb h THR 87 Ca 0.22 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.41 1sjb h THR 87 Cb 0.24 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1sjb h THR 87 CO -0.25 0.00 0.08 -0.65 0.37 0.00 0.00 175.52 175.08 1sjb h PRO 88 N -0.48 0.00 0.01 6.66 0.10 -1.73 0.40 132.00 136.96 1sjb h PRO 88 Ca -0.01 0.00 -0.22 0.00 0.10 0.00 0.00 66.00 65.88 1sjb h PRO 88 Cb 0.48 0.00 -0.03 0.00 0.10 0.00 0.00 31.00 31.55 1sjb h PRO 88 CO -0.17 0.00 -1.03 -0.07 0.10 0.00 0.00 178.00 176.83 1sjb h LEU 89 N 0.00 0.04 -2.12 2.35 3.38 -0.44 -3.31 115.31 115.22 1sjb h LEU 89 Ca 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1sjb h LEU 89 Cb 0.20 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1sjb h LEU 89 CO -0.00 1.04 0.00 0.18 0.09 0.00 0.00 178.44 179.74 1sjb n LEU 90 N -3.36 2.83 0.28 1.67 4.77 0.50 -4.61 117.00 119.07 1sjb n LEU 90 Ca -0.01 -1.39 0.13 0.00 -0.03 0.00 0.00 56.01 54.71 1sjb n LEU 90 Cb 0.95 -0.14 0.83 0.00 -2.33 0.00 0.00 43.42 42.73 1sjb n LEU 90 CO 0.48 0.60 1.09 0.00 -1.33 0.00 0.00 177.39 178.22 1sjb h ALA 91 N 3.29 1.59 0.00 -1.18 0.00 -0.45 -2.49 119.26 120.01 1sjb h ALA 91 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1sjb h ALA 91 Cb 0.77 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1sjb h ALA 91 CO 0.00 0.03 0.00 1.57 0.00 0.00 0.00 179.25 180.85 1sjb h LYS 92 N 0.00 0.00 -5.37 0.00 2.10 -1.84 -3.41 116.57 108.04 1sjb h LYS 92 Ca -0.00 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 58.05 1sjb h LYS 92 Cb 0.05 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.26 1sjb h LYS 92 CO 0.00 0.00 -0.27 -0.06 -2.00 0.00 0.00 179.45 177.12 1sjb s PHE 93 N -3.40 3.38 0.04 0.07 0.40 -0.94 -5.03 117.98 112.49 1sjb s PHE 93 Ca 0.03 0.55 -0.30 0.00 -0.60 0.00 0.00 56.93 56.60 1sjb s PHE 93 Cb 0.09 -2.46 -0.04 0.00 0.51 0.00 0.00 43.02 41.12 1sjb s PHE 93 CO 0.38 0.04 1.00 0.15 0.70 0.00 0.00 175.22 177.48 1sjb s LYS 94 N 1.15 4.59 5.48 0.44 -0.14 -1.26 -4.87 119.74 125.13 1sjb s LYS 94 Ca 0.17 1.47 0.00 0.00 -1.36 0.00 0.00 55.97 56.25 1sjb s LYS 94 Cb -0.14 -3.42 0.00 0.00 -1.68 0.00 0.00 37.83 32.59 1sjb s LYS 94 CO 0.07 0.01 0.00 0.41 -0.76 0.00 0.00 175.35 175.08 1sjb n GLY 95 N 2.72 1.51 3.89 -3.33 0.00 -1.26 -4.96 105.19 103.77 1sjb n GLY 95 Ca 0.05 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 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 12.83 -1.69 -0.05 1.61 8.25 -1.26 -4.88 115.22 130.02 1sjb n HIS 96 Ca 0.00 0.60 -0.13 0.00 -0.26 0.00 0.00 57.72 57.92 1sjb n HIS 96 Cb 0.00 -3.55 -0.07 0.00 1.12 0.00 0.00 29.99 27.49 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 -1.92 0.36 -0.71 -0.41 3.08 -1.88 -1.18 114.38 111.72 1sjb h ARG 97 Ca -0.65 -0.20 0.05 0.00 0.07 0.00 0.00 59.98 59.25 1sjb h ARG 97 Cb 1.37 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.40 1sjb h ARG 97 CO 0.58 0.78 0.47 0.52 -1.07 0.00 0.00 179.97 181.24 1sjb h MET 98 N -0.03 0.76 -0.09 0.04 2.86 -1.56 1.65 114.93 118.57 1sjb h MET 98 Ca 0.02 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 1sjb h MET 98 Cb 0.73 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1sjb h MET 98 CO 0.04 0.51 -0.34 0.00 1.06 0.00 0.00 176.91 178.18 1sjb h ALA 99 N 1.60 0.16 -0.88 6.32 0.00 -1.83 -0.12 119.26 124.52 1sjb h ALA 99 Ca 0.30 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1sjb h ALA 99 Cb 0.17 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1sjb h ALA 99 CO -0.09 0.22 0.48 0.87 0.00 0.00 0.00 179.25 180.73 1sjb h LYS 100 N -0.08 1.22 -0.60 0.00 1.57 -0.80 -2.09 116.57 115.78 1sjb h LYS 100 Ca -0.02 -0.14 0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1sjb h LYS 100 Cb 0.98 -0.24 -0.07 0.00 0.08 0.00 0.00 32.23 32.98 1sjb h LYS 100 CO 0.07 0.89 0.21 0.78 -0.57 0.00 0.00 179.45 180.83 1sjb h GLY 101 N 1.23 0.83 0.96 3.86 0.00 0.27 -0.57 103.07 109.65 1sjb h GLY 101 Ca 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 1sjb h GLY 101 CO -0.05 -0.03 -0.15 0.00 0.00 0.00 0.00 176.54 176.31 1sjb h ALA 102 N 1.42 -0.39 -0.45 3.60 0.00 -0.50 -2.04 119.26 120.90 1sjb h ALA 102 Ca 0.30 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.20 1sjb h ALA 102 Cb 0.38 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1sjb h ALA 102 CO -0.31 -0.73 0.09 1.25 0.00 0.00 0.00 179.25 179.56 1sjb h LEU 103 N -0.40 0.01 -0.33 0.00 6.46 -0.94 -2.27 115.31 117.85 1sjb h LEU 103 Ca -0.03 0.08 0.06 0.00 -0.12 0.00 0.00 57.88 57.87 1sjb h LEU 103 Cb 0.32 0.10 -0.06 0.00 -0.73 0.00 0.00 40.66 40.29 1sjb h LEU 103 CO 0.04 0.04 -0.05 -0.08 -0.62 0.00 0.00 178.44 177.77 1sjb h GLU 104 N 0.23 0.03 -0.21 1.25 4.81 -0.94 -1.31 114.58 118.44 1sjb h GLU 104 Ca 0.22 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.49 1sjb h GLU 104 Cb 0.27 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1sjb h GLU 104 CO -0.28 0.02 -0.07 1.98 -0.73 0.00 0.00 179.01 179.93 1sjb h MET 105 N 0.03 -0.03 0.00 1.92 4.05 -0.82 0.41 114.93 120.50 1sjb h MET 105 Ca 0.16 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.60 1sjb h MET 105 Cb 0.23 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.01 1sjb h MET 105 CO -0.31 -0.02 -0.15 0.00 0.23 0.00 0.00 176.91 176.66 1sjb h ALA 106 N 1.17 -0.18 -0.55 0.39 0.00 -1.14 0.32 119.26 119.27 1sjb h ALA 106 Ca 0.11 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1sjb h ALA 106 Cb 0.19 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 1sjb h ALA 106 CO -0.23 -0.64 0.19 0.28 0.00 0.00 0.00 179.25 178.85 1sjb h VAL 107 N -0.25 0.79 -0.18 0.00 2.07 -0.86 -0.14 116.25 117.68 1sjb h VAL 107 Ca 0.05 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1sjb h VAL 107 Cb 0.31 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1sjb h VAL 107 CO -0.14 0.07 0.08 0.25 0.02 0.00 0.00 177.57 177.85 1sjb h LEU 108 N 0.36 0.24 -0.45 2.57 5.85 0.45 0.14 115.31 124.47 1sjb h LEU 108 Ca 0.27 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1sjb h LEU 108 Cb 0.32 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1sjb h LEU 108 CO -0.28 0.31 0.25 -0.78 -0.34 0.00 0.00 178.44 177.59 1sjb h ASP 109 N 0.16 0.38 -0.45 1.25 3.58 0.09 0.54 116.42 121.96 1sjb h ASP 109 Ca 0.06 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1sjb h ASP 109 Cb 0.13 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 1sjb h ASP 109 CO -0.01 0.27 0.29 0.00 -2.88 0.00 0.00 179.24 176.91 1sjb h ALA 110 N 1.22 0.58 -0.34 -0.78 0.00 -0.77 -0.20 119.26 118.97 1sjb h ALA 110 Ca 0.19 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1sjb h ALA 110 Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1sjb h ALA 110 CO -0.11 0.05 0.20 1.49 0.00 0.00 0.00 179.25 180.88 1sjb h GLU 111 N 0.61 0.40 -0.47 0.00 4.81 0.32 -1.83 114.58 118.42 1sjb h GLU 111 Ca 0.16 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1sjb h GLU 111 Cb -0.04 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1sjb h GLU 111 CO -0.03 0.26 0.12 -0.07 -0.73 0.00 0.00 179.01 178.56 1sjb h LEU 112 N 0.41 0.65 -0.14 1.64 3.38 0.25 -3.00 115.31 118.50 1sjb h LEU 112 Ca 0.13 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1sjb h LEU 112 Cb 0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1sjb h LEU 112 CO -0.06 0.65 -0.03 0.03 0.09 0.00 0.00 178.44 179.11 1sjb h ARG 113 N 0.69 0.27 -1.04 1.13 3.08 -0.55 0.26 114.38 118.22 1sjb h ARG 113 Ca 0.16 -0.10 0.27 0.00 0.07 0.00 0.00 59.98 60.37 1sjb h ARG 113 Cb 0.25 -0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.18 1sjb h ARG 113 CO -0.00 0.55 0.64 0.00 -1.07 0.00 0.00 179.97 180.09 1sjb h ALA 114 N 0.71 2.06 -0.02 0.04 0.00 -1.22 0.86 119.26 121.69 1sjb h ALA 114 Ca 0.04 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1sjb h ALA 114 Cb 0.45 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1sjb h ALA 114 CO 0.01 -0.51 -0.13 0.72 0.00 0.00 0.00 179.25 179.34 1sjb n HIS 115 N -4.75 0.00 -3.48 0.00 8.25 -1.06 -4.95 115.22 109.23 1sjb n HIS 115 Ca 0.27 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.53 1sjb n HIS 115 Cb 0.85 -0.01 0.06 0.00 1.12 0.00 0.00 29.99 32.01 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 0.64 -4.20 -4.63 -0.41 1.02 0.30 -5.01 120.64 108.35 1sjb n GLU 116 Ca 0.14 0.75 -0.25 0.00 -0.02 0.00 0.00 57.16 57.78 1sjb n GLU 116 Cb 0.50 -5.46 -0.14 0.00 -0.02 0.00 0.00 31.44 26.32 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 -5.31 1.33 0.54 3.49 3.52 0.69 -4.82 118.95 118.39 1sjb s ARG 117 Ca 0.20 -0.88 -0.06 0.00 -0.13 0.00 0.00 55.73 54.86 1sjb s ARG 117 Cb -0.04 -1.41 -0.01 0.00 -1.56 0.00 0.00 34.95 31.93 1sjb s ARG 117 CO 0.77 0.36 0.86 -1.54 -0.81 0.00 0.00 175.30 174.94 1sjb s SER 118 N -1.07 5.91 0.28 -2.12 1.04 -1.26 0.09 113.70 116.57 1sjb s SER 118 Ca 0.06 0.83 -0.01 0.00 0.48 0.00 0.00 55.95 57.31 1sjb s SER 118 Cb -0.08 -1.97 0.44 0.00 0.10 0.00 0.00 66.02 64.51 1sjb s SER 118 CO 0.01 -0.84 1.90 -0.26 0.98 0.00 0.00 173.24 175.03 1sjb h PHE 119 N -0.01 1.15 -0.73 5.02 -1.00 -1.47 -0.97 116.94 118.94 1sjb h PHE 119 Ca -0.46 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.33 1sjb h PHE 119 Cb 1.23 -0.38 -0.03 0.00 3.61 0.00 0.00 35.95 40.38 1sjb h PHE 119 CO 0.53 0.61 0.36 0.00 -1.61 0.00 0.00 178.31 178.20 1sjb h ALA 120 N 1.47 1.25 -0.28 2.45 0.00 -1.86 0.24 119.26 122.53 1sjb h ALA 120 Ca 0.41 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 1sjb h ALA 120 Cb 0.16 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1sjb h ALA 120 CO -0.16 0.58 -0.18 0.00 0.00 0.00 0.00 179.25 179.49 1sjb h ALA 121 N 1.36 0.40 -0.42 0.00 0.00 -1.58 0.70 119.26 119.71 1sjb h ALA 121 Ca 0.26 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1sjb h ALA 121 Cb 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1sjb h ALA 121 CO -0.03 0.33 0.24 1.49 0.00 0.00 0.00 179.25 181.28 1sjb h GLU 122 N 0.36 0.58 0.00 0.00 4.57 -1.03 -2.94 114.58 116.12 1sjb h GLU 122 Ca 0.06 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.11 1sjb h GLU 122 Cb 0.72 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 1sjb h GLU 122 CO 0.05 0.44 -0.30 -0.07 -1.18 0.00 0.00 179.01 177.95 1sjb h LEU 123 N 0.55 0.00 0.00 1.64 3.38 -0.89 -3.47 115.31 116.52 1sjb h LEU 123 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1sjb h LEU 123 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1sjb h LEU 123 CO -0.03 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.41 1sjb n GLY 124 N 0.34 1.22 3.69 0.83 0.00 -0.65 -5.02 105.19 105.60 1sjb n GLY 124 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 2.69 -0.04 1.61 2.88 0.15 -4.62 113.62 116.29 1sjb n SER 125 Ca 0.00 1.20 0.02 0.00 -1.33 0.00 0.00 58.87 58.76 1sjb n SER 125 Cb 0.00 -1.47 -0.01 0.00 -0.75 0.00 0.00 64.21 61.98 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 0.42 0.00 -4.55 2.46 0.24 -0.30 -4.97 118.33 111.64 1sjb n VAL 126 Ca 0.05 -0.44 -0.26 0.00 -2.04 0.00 0.00 64.34 61.66 1sjb n VAL 126 Cb 0.36 1.02 -0.11 0.00 -1.47 0.00 0.00 33.84 33.64 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 -1.07 1.83 -0.00 7.34 0.52 -1.18 -5.05 118.95 121.33 1sjb s ARG 127 Ca 0.02 -1.99 0.04 0.00 -0.52 0.00 0.00 55.73 53.28 1sjb s ARG 127 Cb 0.03 -1.50 -0.05 0.00 0.52 0.00 0.00 34.95 33.94 1sjb s ARG 127 CO 0.12 0.00 0.15 -0.25 0.02 0.00 0.00 175.30 175.35 1sjb n ASP 128 N -0.83 1.49 -3.90 0.23 8.00 -1.26 -4.91 116.55 115.37 1sjb n ASP 128 Ca -0.05 -0.40 -0.10 0.00 0.71 0.00 0.00 54.79 54.95 1sjb n ASP 128 Cb 0.65 1.07 -0.10 0.00 -0.02 0.00 0.00 41.12 42.72 1sjb n ASP 128 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1sjb s SER 129 N -1.79 0.09 -0.02 -2.24 1.04 -1.26 0.10 113.70 109.62 1sjb s SER 129 Ca 0.01 -0.29 0.04 0.00 0.48 0.00 0.00 55.95 56.18 1sjb s SER 129 Cb 0.03 0.17 -0.00 0.00 0.10 0.00 0.00 66.02 66.32 1sjb s SER 129 CO 0.18 -0.35 -0.13 0.68 0.98 0.00 0.00 173.24 174.61 1sjb s VAL 130 N -1.39 1.06 0.24 5.02 -7.23 0.40 -4.93 120.40 113.56 1sjb s VAL 130 Ca -0.15 -0.54 -0.30 0.00 -1.81 0.00 0.00 61.98 59.18 1sjb s VAL 130 Cb -0.08 -0.91 -0.09 0.00 0.56 0.00 0.00 36.38 35.86 1sjb s VAL 130 CO 0.01 0.31 1.35 -2.16 -0.31 0.00 0.00 175.10 174.30 1sjb s PRO 131 N -0.06 4.35 0.03 4.82 0.04 -1.26 -0.77 135.00 142.13 1sjb s PRO 131 Ca 0.00 2.16 0.05 0.00 0.04 0.00 0.00 61.00 63.26 1sjb s PRO 131 Cb -0.08 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 1sjb s PRO 131 CO 0.00 -0.29 -0.13 0.00 0.04 0.00 0.00 177.00 176.62 1sjb n GLY 133 N 1.55 3.78 3.04 0.00 0.00 -0.32 -1.98 105.19 111.25 1sjb n GLY 133 Ca -0.16 -2.29 -0.11 0.00 0.00 0.00 0.00 46.02 43.46 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 -1.96 0.06 -0.32 1.61 0.11 0.11 -4.03 120.40 115.98 1sjb s VAL 134 Ca 0.01 -0.51 -0.12 0.00 -2.93 0.00 0.00 61.98 58.44 1sjb s VAL 134 Cb -0.00 -0.31 -0.02 0.00 -1.53 0.00 0.00 36.38 34.52 1sjb s VAL 134 CO 0.01 -0.28 0.21 -0.55 -3.33 0.00 0.00 175.10 171.16 1sjb s SER 135 N -0.92 5.90 -0.16 3.54 0.15 -1.26 0.23 113.70 121.18 1sjb s SER 135 Ca -0.10 -0.40 -0.07 0.00 0.70 0.00 0.00 55.95 56.08 1sjb s SER 135 Cb -0.06 -2.09 -0.04 0.00 -1.71 0.00 0.00 66.02 62.12 1sjb s SER 135 CO 0.01 -0.20 0.09 -0.69 1.20 0.00 0.00 173.24 173.65 1sjb s VAL 136 N 1.69 5.09 1.04 4.45 1.01 0.49 -4.95 120.40 129.23 1sjb s VAL 136 Ca 0.06 0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.93 1sjb s VAL 136 Cb -0.17 -3.26 0.26 0.00 0.00 0.00 0.00 36.38 33.21 1sjb s VAL 136 CO 0.09 0.52 0.95 0.61 0.00 0.00 0.00 175.10 177.27 1sjb n GLY 137 N 2.90 -2.65 3.71 4.51 0.00 -1.26 -1.00 105.19 111.39 1sjb n GLY 137 Ca -0.18 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.75 4.46 0.61 -0.61 1.01 0.45 -4.49 121.20 119.88 1sjb s ILE 138 Ca 0.61 1.76 0.01 0.00 0.00 0.00 0.00 60.65 63.03 1sjb s ILE 138 Cb -0.06 -4.13 0.06 0.00 0.01 0.00 0.00 42.46 38.35 1sjb s ILE 138 CO 0.47 0.10 0.85 -0.04 0.00 0.00 0.00 174.94 176.32 1sjb s MET 139 N 1.30 2.26 -0.01 2.79 -1.94 -1.26 -4.57 119.30 117.87 1sjb s MET 139 Ca 0.55 -0.88 0.22 0.00 -1.71 0.00 0.00 55.69 53.86 1sjb s MET 139 Cb -0.24 -2.43 -0.26 0.00 2.01 0.00 0.00 34.83 33.91 1sjb s MET 139 CO 0.27 -0.97 0.68 -0.25 -0.01 0.00 0.00 175.02 174.74 1sjb n ASP 140 N -2.52 0.39 -3.81 3.03 8.00 -1.26 -4.93 116.55 115.45 1sjb n ASP 140 Ca 0.10 -0.31 -0.12 0.00 0.71 0.00 0.00 54.79 55.17 1sjb n ASP 140 Cb 0.60 1.53 -0.10 0.00 -0.02 0.00 0.00 41.12 43.13 1sjb n ASP 140 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1sjb s THR 141 N -3.33 0.05 0.08 -3.53 2.01 -1.26 -5.05 115.64 104.61 1sjb s THR 141 Ca -0.02 -0.39 -0.28 0.00 0.31 0.00 0.00 61.69 61.31 1sjb s THR 141 Cb 0.15 -0.45 -0.17 0.00 0.01 0.00 0.00 72.50 72.03 1sjb s THR 141 CO 0.88 -0.22 1.68 0.40 -0.69 0.00 0.00 174.62 176.68 1sjb h ILE 142 N 4.33 0.65 -0.37 1.82 2.04 -1.99 -2.34 117.51 121.65 1sjb h ILE 142 Ca -0.29 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.65 1sjb h ILE 142 Cb 1.19 0.65 -0.09 0.00 -0.74 0.00 0.00 36.82 37.83 1sjb h ILE 142 CO 0.39 0.00 -0.26 -0.65 0.00 0.00 0.00 178.15 177.63 1sjb h PRO 143 N -0.48 -0.20 -0.18 2.37 0.11 -1.99 0.33 132.00 131.97 1sjb h PRO 143 Ca -0.05 0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.13 1sjb h PRO 143 Cb 0.37 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1sjb h PRO 143 CO 0.08 -0.13 0.20 0.37 -0.21 0.00 0.00 178.00 178.31 1sjb h GLN 144 N -0.20 0.00 0.03 1.05 4.15 -1.94 -1.57 115.11 116.62 1sjb h GLN 144 Ca 0.18 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.60 1sjb h GLN 144 Cb 0.48 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.17 1sjb h GLN 144 CO -0.49 0.00 -0.01 1.25 -1.93 0.00 0.00 178.83 177.65 1sjb h LEU 145 N 0.00 -0.03 -1.71 -2.39 5.85 0.09 -3.01 115.31 114.12 1sjb h LEU 145 Ca 0.09 -0.70 0.18 0.00 0.84 0.00 0.00 57.88 58.28 1sjb h LEU 145 Cb 0.49 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 1sjb h LEU 145 CO -0.00 0.74 0.52 -0.07 -0.34 0.00 0.00 178.44 179.28 1sjb h LEU 146 N -0.84 0.26 0.03 2.25 3.38 -0.01 0.15 115.31 120.52 1sjb h LEU 146 Ca -0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1sjb h LEU 146 Cb 0.73 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1sjb h LEU 146 CO 0.01 0.12 -0.01 0.44 0.09 0.00 0.00 178.44 179.09 1sjb h ASP 147 N 0.27 -0.03 -0.80 -0.43 3.32 -1.36 -1.36 116.42 116.03 1sjb h ASP 147 Ca 0.38 0.00 0.13 0.00 0.02 0.00 0.00 57.03 57.55 1sjb h ASP 147 Cb 1.07 0.01 -0.13 0.00 0.22 0.00 0.00 39.33 40.50 1sjb h ASP 147 CO -0.09 -0.02 -0.31 0.52 -1.72 0.00 0.00 179.24 177.62 1sjb n VAL 148 N -2.11 -0.42 0.04 -1.35 0.31 -0.88 0.11 118.33 114.02 1sjb n VAL 148 Ca -0.00 1.87 -0.05 0.00 -0.01 0.00 0.00 64.34 66.15 1sjb n VAL 148 Cb 0.01 -2.47 -0.03 0.00 -0.91 0.00 0.00 33.84 30.44 1sjb n VAL 148 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1sjb h VAL 149 N 0.00 0.00 -1.08 2.52 2.07 -0.77 -0.15 116.25 118.85 1sjb h VAL 149 Ca 0.28 0.00 0.41 0.00 0.82 0.00 0.00 66.70 68.21 1sjb h VAL 149 Cb 0.48 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.09 1sjb h VAL 149 CO -0.79 0.00 0.62 1.23 0.02 0.00 0.00 177.57 178.64 1sjb h GLY 150 N -0.22 2.04 0.89 2.17 0.00 0.42 0.40 103.07 108.77 1sjb h GLY 150 Ca -0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1sjb h GLY 150 CO -0.06 -0.67 -0.04 -1.33 0.00 0.00 0.00 176.54 174.43 1sjb h GLY 151 N 0.07 -0.12 1.04 4.60 0.00 0.11 -2.15 103.07 106.61 1sjb h GLY 151 Ca 0.83 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 48.17 1sjb h GLY 151 CO -0.67 -0.05 0.41 -0.97 0.00 0.00 0.00 176.54 175.26 1sjb h TYR 152 N -0.23 1.23 0.00 5.60 0.99 0.14 -0.41 116.97 124.28 1sjb h TYR 152 Ca -0.01 -0.06 -0.04 0.00 2.00 0.00 0.00 58.73 60.62 1sjb h TYR 152 Cb 0.20 -0.38 -0.01 0.00 1.00 0.00 0.00 36.73 37.54 1sjb h TYR 152 CO -0.03 0.89 -0.20 -0.07 -0.00 0.00 0.00 178.16 178.75 1sjb h LEU 153 N 1.21 0.00 -0.15 3.88 3.38 -0.74 -2.21 115.31 120.69 1sjb h LEU 153 Ca 0.29 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.03 1sjb h LEU 153 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1sjb h LEU 153 CO -0.04 0.20 -0.96 0.44 0.09 0.00 0.00 178.44 178.17 1sjb h ASP 154 N 0.00 0.55 0.00 -0.43 3.32 -0.62 -3.05 116.42 116.18 1sjb h ASP 154 Ca -0.00 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1sjb h ASP 154 Cb 0.35 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1sjb h ASP 154 CO 0.03 1.25 0.04 -0.33 -1.72 0.00 0.00 179.24 178.50 1sjb h GLU 155 N 0.23 0.00 0.00 3.56 5.08 -0.50 -3.44 114.58 119.51 1sjb h GLU 155 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1sjb h GLU 155 Cb 1.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.85 1sjb h GLU 155 CO 0.17 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.59 1sjb n GLY 156 N -1.22 1.03 3.62 -3.84 0.00 -1.15 -4.84 105.19 98.78 1sjb n GLY 156 Ca -0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.28 1.67 0.02 1.61 4.02 -1.01 -3.92 117.16 119.27 1sjb n TYR 157 Ca 0.00 0.59 -0.04 0.00 -0.01 0.00 0.00 57.90 58.44 1sjb n TYR 157 Cb 0.00 -2.35 -0.10 0.00 -0.02 0.00 0.00 39.34 36.87 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 2.65 0.81 -3.25 -0.72 2.07 -1.68 -3.44 116.25 112.70 1sjb h VAL 158 Ca -0.43 -2.46 -0.15 0.00 0.82 0.00 0.00 66.70 64.48 1sjb h VAL 158 Cb 1.31 2.31 -0.23 0.00 -1.52 0.00 0.00 31.29 33.17 1sjb h VAL 158 CO 0.70 0.46 -0.43 -0.60 0.02 0.00 0.00 177.57 177.72 1sjb s ARG 159 N -2.78 0.40 -0.22 1.57 3.00 -1.25 -4.44 118.95 115.24 1sjb s ARG 159 Ca -0.02 0.03 -0.06 0.00 -1.00 0.00 0.00 55.73 54.67 1sjb s ARG 159 Cb 0.08 0.18 -0.03 0.00 0.00 0.00 0.00 34.95 35.19 1sjb s ARG 159 CO 0.81 -0.08 0.03 0.42 0.00 0.00 0.00 175.30 176.48 1sjb s ILE 160 N -0.56 4.20 -0.17 4.11 -1.09 0.46 0.06 121.20 128.21 1sjb s ILE 160 Ca -0.07 -0.22 0.01 0.00 -2.23 0.00 0.00 60.65 58.14 1sjb s ILE 160 Cb -0.04 -2.92 0.01 0.00 -1.58 0.00 0.00 42.46 37.93 1sjb s ILE 160 CO 0.01 0.40 -0.18 -0.75 -1.23 0.00 0.00 174.94 173.20 1sjb s LYS 161 N 1.13 3.09 -0.23 2.79 2.20 0.14 -1.19 119.74 127.66 1sjb s LYS 161 Ca 0.03 -0.80 -0.06 0.00 -0.36 0.00 0.00 55.97 54.78 1sjb s LYS 161 Cb -0.14 -2.59 -0.03 0.00 -1.51 0.00 0.00 37.83 33.56 1sjb s LYS 161 CO 0.02 -0.10 0.04 -0.51 -0.36 0.00 0.00 175.35 174.45 1sjb s LEU 162 N 1.06 3.37 0.18 5.43 1.43 0.67 0.19 118.68 131.00 1sjb s LEU 162 Ca -0.01 -0.21 -0.31 0.00 -1.03 0.00 0.00 54.13 52.58 1sjb s LEU 162 Cb -0.14 -1.89 -0.09 0.00 0.03 0.00 0.00 46.19 44.10 1sjb s LEU 162 CO -0.06 0.00 1.45 -0.54 0.23 0.00 0.00 176.35 177.43 1sjb s LYS 163 N 1.39 4.28 0.29 1.70 3.01 -0.17 -0.90 119.74 129.34 1sjb s LYS 163 Ca 0.05 2.23 0.06 0.00 -1.01 0.00 0.00 55.97 57.30 1sjb s LYS 163 Cb -0.15 -3.17 -0.06 0.00 -1.01 0.00 0.00 37.83 33.44 1sjb s LYS 163 CO 0.02 -0.46 -0.05 0.96 0.51 0.00 0.00 175.35 176.33 1sjb s ILE 164 N 0.69 1.61 0.06 2.17 -4.36 0.40 -4.49 121.20 117.28 1sjb s ILE 164 Ca 0.64 -2.11 -0.27 0.00 -0.26 0.00 0.00 60.65 58.65 1sjb s ILE 164 Cb -0.40 -2.49 0.07 0.00 1.25 0.00 0.00 42.46 40.89 1sjb s ILE 164 CO 0.35 -0.27 0.66 -0.70 0.24 0.00 0.00 174.94 175.23 1sjb s GLU 165 N -3.74 1.14 0.01 0.37 2.12 -0.45 -4.34 118.70 113.81 1sjb s GLU 165 Ca 0.30 -0.17 -0.30 0.00 0.36 0.00 0.00 54.97 55.15 1sjb s GLU 165 Cb 0.04 0.53 -0.09 0.00 0.26 0.00 0.00 34.13 34.87 1sjb s GLU 165 CO 0.12 -0.45 1.98 -2.30 -0.54 0.00 0.00 175.26 174.07 1sjb n PRO 166 N 0.13 2.76 0.00 4.30 -0.02 -1.26 0.11 135.00 141.02 1sjb n PRO 166 Ca -0.17 1.01 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1sjb n PRO 166 Cb 0.62 -2.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.11 1sjb n PRO 166 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sjb n GLY 167 N 4.60 1.05 2.74 -1.23 0.00 -1.26 -4.98 105.19 106.12 1sjb n GLY 167 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.67 -3.19 0.00 1.61 -0.00 0.29 -5.06 117.44 109.42 1sjb n TRP 168 Ca 0.00 -1.55 0.00 0.00 -0.00 0.00 0.00 57.50 55.95 1sjb n TRP 168 Cb 0.00 1.50 0.00 0.00 -0.00 0.00 0.00 31.31 32.81 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 1.97 0.00 -0.23 5.87 8.00 -1.25 -1.34 116.55 129.57 1sjb n ASP 169 Ca 0.11 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.60 1sjb n ASP 169 Cb 0.62 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.82 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 0.95 0.81 2.53 2.07 -1.94 -2.12 116.25 118.56 1sjb h VAL 170 Ca 0.00 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1sjb h VAL 170 Cb 0.00 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1sjb h VAL 170 CO 0.00 0.12 -0.39 -0.33 0.02 0.00 0.00 177.57 176.99 1sjb h GLU 171 N 0.68 -1.05 -0.65 1.57 4.39 -1.97 1.02 114.58 118.56 1sjb h GLU 171 Ca 0.31 0.07 0.13 0.00 0.34 0.00 0.00 59.36 60.21 1sjb h GLU 171 Cb 0.21 0.24 -0.12 0.00 -0.10 0.00 0.00 28.75 28.98 1sjb h GLU 171 CO -0.19 -0.69 -0.18 -1.35 -1.16 0.00 0.00 179.01 175.44 1sjb h PRO 172 N -1.20 -0.01 0.38 2.33 0.11 -1.90 0.39 132.00 132.10 1sjb h PRO 172 Ca -0.11 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 1sjb h PRO 172 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1sjb h PRO 172 CO 0.18 -0.01 -0.19 0.28 -0.21 0.00 0.00 178.00 178.05 1sjb h VAL 173 N -0.01 0.60 -0.73 3.15 2.07 -1.12 0.14 116.25 120.34 1sjb h VAL 173 Ca 0.31 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.98 1sjb h VAL 173 Cb 0.49 0.60 -0.10 0.00 -1.52 0.00 0.00 31.29 30.75 1sjb h VAL 173 CO -0.68 0.00 0.22 -0.09 0.02 0.00 0.00 177.57 177.04 1sjb h ARG 174 N -0.53 0.31 0.83 1.57 2.43 0.20 0.12 114.38 119.32 1sjb h ARG 174 Ca -0.05 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1sjb h ARG 174 Cb 0.41 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1sjb h ARG 174 CO 0.08 0.21 -0.46 0.00 -1.51 0.00 0.00 179.97 178.29 1sjb h ALA 175 N 1.58 -1.29 -0.31 2.80 0.00 0.08 -0.38 119.26 121.74 1sjb h ALA 175 Ca 0.41 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1sjb h ALA 175 Cb 0.68 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1sjb h ALA 175 CO -0.47 -1.23 -0.07 0.28 0.00 0.00 0.00 179.25 177.77 1sjb h VAL 176 N -1.19 0.70 -0.71 0.00 2.07 0.32 -0.34 116.25 117.10 1sjb h VAL 176 Ca -0.11 -0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.46 1sjb h VAL 176 Cb 0.94 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 1sjb h VAL 176 CO 0.15 0.00 0.41 -0.09 0.02 0.00 0.00 177.57 178.06 1sjb h ARG 177 N 0.01 0.74 -0.34 1.57 9.65 -0.78 0.74 114.38 125.97 1sjb h ARG 177 Ca 0.15 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.96 1sjb h ARG 177 Cb 0.22 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 1sjb h ARG 177 CO -0.31 0.49 0.10 1.49 2.80 0.00 0.00 179.97 184.54 1sjb h GLU 178 N 0.76 0.53 0.00 0.20 4.81 -0.44 0.38 114.58 120.82 1sjb h GLU 178 Ca 0.31 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1sjb h GLU 178 Cb 0.17 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1sjb h GLU 178 CO -0.18 0.57 -0.00 -0.09 -0.73 0.00 0.00 179.01 178.58 1sjb h ARG 179 N 0.39 0.00 -0.00 1.92 9.65 -0.66 -3.37 114.38 122.31 1sjb h ARG 179 Ca 0.11 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1sjb h ARG 179 Cb 0.26 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 1sjb h ARG 179 CO -0.00 0.86 -0.32 1.19 2.80 0.00 0.00 179.97 184.50 1sjb n PHE 180 N -4.68 0.00 0.00 2.20 3.01 0.25 -5.06 117.46 113.19 1sjb n PHE 180 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1sjb n PHE 180 Cb 0.42 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 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 1.39 -0.07 0.19 1.37 0.00 0.12 -4.59 105.19 103.60 1sjb n GLY 181 Ca 0.10 -1.74 0.10 0.00 0.00 0.00 0.00 46.02 44.48 1sjb n GLY 181 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sjb h ASP 182 N 0.00 0.00 0.67 1.61 3.32 -1.93 -3.33 116.42 116.75 1sjb h ASP 182 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1sjb h ASP 182 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1sjb h ASP 182 CO 0.00 0.11 -0.18 0.44 -1.72 0.00 0.00 179.24 177.89 1sjb h ASP 183 N 0.00 0.00 -4.19 6.45 3.32 -1.95 -3.44 116.42 116.61 1sjb h ASP 183 Ca -0.01 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.51 1sjb h ASP 183 Cb 1.09 0.00 0.16 0.00 0.22 0.00 0.00 39.33 40.80 1sjb h ASP 183 CO 0.01 0.18 0.38 -0.69 -1.72 0.00 0.00 179.24 177.40 1sjb s VAL 184 N -3.89 2.30 -0.31 -1.35 1.01 -1.25 -4.95 120.40 111.95 1sjb s VAL 184 Ca -0.01 0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 1sjb s VAL 184 Cb 0.11 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1sjb s VAL 184 CO 0.61 -0.08 0.46 -0.76 0.00 0.00 0.00 175.10 175.32 1sjb s LEU 185 N -5.27 4.24 -0.03 3.92 1.43 -1.26 -5.03 118.68 116.67 1sjb s LEU 185 Ca 0.74 0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.97 1sjb s LEU 185 Cb -0.29 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.42 1sjb s LEU 185 CO 0.46 -0.35 -0.10 -0.22 0.23 0.00 0.00 176.35 176.37 1sjb s LEU 186 N 2.24 1.79 0.16 1.79 2.96 -1.25 -0.40 118.68 125.97 1sjb s LEU 186 Ca 0.17 -0.22 -0.06 0.00 -0.22 0.00 0.00 54.13 53.81 1sjb s LEU 186 Cb -0.16 -0.63 -0.02 0.00 0.50 0.00 0.00 46.19 45.88 1sjb s LEU 186 CO 0.12 0.08 0.20 0.00 -1.32 0.00 0.00 176.35 175.42 1sjb s GLN 187 N 0.20 1.08 0.19 1.98 -2.07 -0.34 -1.10 119.66 119.61 1sjb s GLN 187 Ca -0.04 -1.30 0.08 0.00 -1.82 0.00 0.00 55.36 52.28 1sjb s GLN 187 Cb -0.09 0.32 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 1sjb s GLN 187 CO 0.01 -0.37 -0.15 0.14 -1.32 0.00 0.00 175.29 173.60 1sjb s VAL 188 N -4.01 1.72 -0.10 3.63 -7.23 -0.83 -0.24 120.40 113.35 1sjb s VAL 188 Ca 0.21 -2.10 -0.03 0.00 -1.81 0.00 0.00 61.98 58.24 1sjb s VAL 188 Cb 0.05 -1.95 0.05 0.00 0.56 0.00 0.00 36.38 35.08 1sjb s VAL 188 CO 0.01 -0.52 0.14 -0.62 -0.31 0.00 0.00 175.10 173.81 1sjb s ASP 189 N -3.10 1.06 0.00 4.85 -1.08 -0.08 -0.53 116.67 117.80 1sjb s ASP 189 Ca 0.20 0.13 0.24 0.00 -0.52 0.00 0.00 52.55 52.59 1sjb s ASP 189 Cb -0.02 0.16 0.24 0.00 -1.46 0.00 0.00 42.92 41.83 1sjb s ASP 189 CO 0.06 -0.27 1.23 0.00 0.52 0.00 0.00 175.17 176.72 1sjb n ALA 190 N 5.32 3.80 -4.04 3.66 0.00 -0.75 -0.45 120.51 128.04 1sjb n ALA 190 Ca -0.05 -0.50 -0.31 0.00 0.00 0.00 0.00 53.44 52.59 1sjb n ALA 190 Cb 0.50 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.98 -0.58 -0.96 0.00 4.13 -1.18 0.06 115.26 115.75 1sjb n ASN 191 Ca 0.07 -1.09 -0.12 0.00 1.68 0.00 0.00 54.58 55.12 1sjb n ASN 191 Cb 0.37 -1.34 -0.05 0.00 -1.54 0.00 0.00 39.78 37.21 1sjb n ASN 191 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1sjb n THR 192 N -4.18 0.00 0.22 3.41 -2.24 0.22 -4.80 114.28 106.92 1sjb n THR 192 Ca -0.22 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.64 1sjb n THR 192 Cb 0.55 -1.39 0.52 0.00 -2.10 0.00 0.00 70.33 67.91 1sjb n THR 192 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sjb h ALA 193 N 0.00 1.23 -5.60 6.98 0.00 -0.08 -3.37 119.26 118.41 1sjb h ALA 193 Ca -0.26 -0.22 -0.49 0.00 0.00 0.00 0.00 54.91 53.94 1sjb h ALA 193 Cb 0.82 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1sjb h ALA 193 CO 0.37 0.31 -0.23 0.66 0.00 0.00 0.00 179.25 180.36 1sjb n TYR 194 N -3.72 -0.74 -4.32 0.00 4.02 0.20 -4.76 117.16 107.84 1sjb n TYR 194 Ca -0.01 -2.00 -0.17 0.00 -0.01 0.00 0.00 57.90 55.71 1sjb n TYR 194 Cb 0.36 -0.39 -0.10 0.00 -0.02 0.00 0.00 39.34 39.19 1sjb n TYR 194 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1sjb s THR 195 N -2.34 1.42 0.38 -0.72 -4.23 -1.26 -4.29 115.64 104.60 1sjb s THR 195 Ca 0.27 -2.12 0.12 0.00 -1.18 0.00 0.00 61.69 58.79 1sjb s THR 195 Cb -0.02 -2.09 0.34 0.00 1.34 0.00 0.00 72.50 72.07 1sjb s THR 195 CO 0.17 -0.56 1.87 0.25 -0.54 0.00 0.00 174.62 175.82 1sjb h LEU 196 N 2.58 0.54 -2.74 4.79 5.85 -1.96 0.72 115.31 125.08 1sjb h LEU 196 Ca -0.38 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1sjb h LEU 196 Cb 1.21 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 1sjb h LEU 196 CO 0.64 0.26 0.06 1.23 -0.34 0.00 0.00 178.44 180.28 1sjb h GLY 197 N 0.56 0.00 0.60 3.75 0.00 -2.01 -0.55 103.07 105.43 1sjb h GLY 197 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1sjb h GLY 197 CO -0.19 0.00 -0.01 1.22 0.00 0.00 0.00 176.54 177.56 1sjb n ASP 198 N -3.21 0.48 -0.34 0.19 8.00 0.25 -4.48 116.55 117.43 1sjb n ASP 198 Ca -0.03 -1.05 -0.09 0.00 0.71 0.00 0.00 54.79 54.33 1sjb n ASP 198 Cb 0.13 -0.02 -0.08 0.00 -0.02 0.00 0.00 41.12 41.13 1sjb n ASP 198 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sjb n ALA 199 N -0.68 -0.52 -0.32 2.24 0.00 -0.22 -0.12 120.51 120.90 1sjb n ALA 199 Ca 0.21 0.68 0.10 0.00 0.00 0.00 0.00 53.44 54.43 1sjb n ALA 199 Cb 0.20 -0.11 0.27 0.00 0.00 0.00 0.00 19.45 19.81 1sjb n ALA 199 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1sjb h PRO 200 N 0.00 0.64 0.57 0.00 0.14 -1.85 1.67 132.00 133.16 1sjb h PRO 200 Ca 0.13 -0.04 -0.02 0.00 0.14 0.00 0.00 66.00 66.21 1sjb h PRO 200 Cb 0.33 -0.14 -0.01 0.00 0.14 0.00 0.00 31.00 31.32 1sjb h PRO 200 CO -0.76 0.42 -0.37 0.37 0.14 0.00 0.00 178.00 177.80 1sjb h GLN 201 N 0.65 -0.87 0.00 0.86 5.75 -0.84 -1.53 115.11 119.14 1sjb h GLN 201 Ca 0.52 0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 59.06 1sjb h GLN 201 Cb 0.79 0.20 -0.00 0.00 1.07 0.00 0.00 27.48 29.53 1sjb h GLN 201 CO -0.39 -0.58 -0.10 -0.07 -2.65 0.00 0.00 178.83 175.05 1sjb h LEU 202 N -0.90 0.00 -1.76 -2.39 3.38 0.13 0.39 115.31 114.16 1sjb h LEU 202 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1sjb h LEU 202 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1sjb h LEU 202 CO 0.06 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.68 1sjb h ALA 203 N 1.90 1.00 0.00 1.53 0.00 0.31 -1.08 119.26 122.93 1sjb h ALA 203 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sjb h ALA 203 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1sjb h ALA 203 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1sjb h ARG 204 N 0.00 0.00 0.00 0.00 3.08 0.77 -2.17 114.38 116.06 1sjb h ARG 204 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1sjb h ARG 204 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1sjb h ARG 204 CO 0.00 0.00 -0.54 1.28 -1.07 0.00 0.00 179.97 179.64 1sjb n LEU 205 N -2.48 0.53 -0.36 3.04 4.77 -0.41 -4.34 117.00 117.75 1sjb n LEU 205 Ca -0.01 0.02 0.04 0.00 -0.03 0.00 0.00 56.01 56.03 1sjb n LEU 205 Cb 0.08 -0.24 0.11 0.00 -2.33 0.00 0.00 43.42 41.04 1sjb n LEU 205 CO 0.14 0.10 0.62 0.47 -1.33 0.00 0.00 177.39 177.40 1sjb n ASP 206 N -1.58 -0.43 0.05 -1.43 8.00 -0.82 0.14 116.55 120.47 1sjb n ASP 206 Ca 0.05 1.69 0.05 0.00 0.71 0.00 0.00 54.79 57.29 1sjb n ASP 206 Cb 0.35 -0.47 0.24 0.00 -0.02 0.00 0.00 41.12 41.21 1sjb n ASP 206 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1sjb n PRO 207 N -5.55 0.05 -0.04 -0.24 -0.04 -1.26 -3.48 135.00 124.44 1sjb n PRO 207 Ca 0.14 0.47 0.13 0.00 -0.04 0.00 0.00 63.50 64.19 1sjb n PRO 207 Cb 0.46 -1.63 0.41 0.00 -0.04 0.00 0.00 33.50 32.69 1sjb n PRO 207 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1sjb n PHE 208 N -1.73 0.10 -2.27 0.54 3.01 0.12 -4.97 117.46 112.26 1sjb n PHE 208 Ca 0.01 -0.05 -0.19 0.00 1.01 0.00 0.00 57.45 58.22 1sjb n PHE 208 Cb 0.07 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.52 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 1.20 -0.17 3.77 1.37 0.00 -1.23 -4.96 105.19 105.18 1sjb n GLY 209 Ca 0.18 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -5.38 4.33 0.17 0.99 1.43 -1.26 -4.76 118.68 114.19 1sjb s LEU 210 Ca 0.00 2.82 -0.10 0.00 -1.03 0.00 0.00 54.13 55.83 1sjb s LEU 210 Cb 0.00 -3.73 0.04 0.00 0.03 0.00 0.00 46.19 42.54 1sjb s LEU 210 CO 0.00 -0.76 1.60 -0.07 0.23 0.00 0.00 176.35 177.36 1sjb h LEU 211 N 3.04 1.05 -7.77 1.79 3.38 -1.48 -3.43 115.31 111.88 1sjb h LEU 211 Ca -0.50 -0.34 0.15 0.00 0.09 0.00 0.00 57.88 57.28 1sjb h LEU 211 Cb 1.24 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.63 1sjb h LEU 211 CO 0.64 1.14 0.42 -1.48 0.09 0.00 0.00 178.44 179.25 1sjb s LEU 212 N -9.25 -0.18 -0.11 1.67 0.05 -1.26 -4.37 118.68 105.23 1sjb s LEU 212 Ca -0.12 -0.49 0.00 0.00 0.05 0.00 0.00 54.13 53.58 1sjb s LEU 212 Cb 0.13 2.31 0.02 0.00 -2.05 0.00 0.00 46.19 46.60 1sjb s LEU 212 CO 0.86 -1.03 -0.10 -0.51 -0.55 0.00 0.00 176.35 175.02 1sjb s ILE 213 N -3.37 1.16 -0.20 1.48 2.07 -0.39 -1.96 121.20 119.98 1sjb s ILE 213 Ca 0.12 -0.39 -0.09 0.00 -1.41 0.00 0.00 60.65 58.89 1sjb s ILE 213 Cb -0.03 -1.13 -0.04 0.00 0.13 0.00 0.00 42.46 41.39 1sjb s ILE 213 CO 0.04 0.39 0.10 -0.70 -1.91 0.00 0.00 174.94 172.85 1sjb s GLU 214 N 1.48 4.03 -0.68 3.50 2.12 0.31 0.25 118.70 129.71 1sjb s GLU 214 Ca 0.01 -0.31 -0.07 0.00 0.36 0.00 0.00 54.97 54.97 1sjb s GLU 214 Cb -0.13 -3.34 0.01 0.00 0.26 0.00 0.00 34.13 30.93 1sjb s GLU 214 CO -0.07 0.21 0.45 0.94 -0.54 0.00 0.00 175.26 176.26 1sjb n GLN 215 N 3.76 -0.95 -0.10 4.30 -0.06 0.92 -1.81 117.38 123.44 1sjb n GLN 215 Ca -0.16 0.37 -0.11 0.00 -2.00 0.00 0.00 57.00 55.10 1sjb n GLN 215 Cb 0.52 -1.59 0.01 0.00 -4.06 0.00 0.00 30.24 25.13 1sjb n GLN 215 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 1sjb h PRO 216 N -0.25 0.87 -6.18 3.69 0.11 -1.86 0.64 132.00 129.02 1sjb h PRO 216 Ca -0.49 -0.43 -0.50 0.00 0.11 0.00 0.00 66.00 64.69 1sjb h PRO 216 Cb 1.03 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 1sjb h PRO 216 CO 0.30 1.08 -0.46 -0.51 -0.21 0.00 0.00 178.00 178.19 1sjb s LEU 217 N -8.85 3.55 0.95 2.35 1.43 -1.26 -0.63 118.68 116.23 1sjb s LEU 217 Ca -0.10 -0.54 -0.14 0.00 -1.03 0.00 0.00 54.13 52.32 1sjb s LEU 217 Cb 0.12 -2.14 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 1sjb s LEU 217 CO 0.87 -0.35 0.10 -1.84 0.23 0.00 0.00 176.35 175.36 1sjb n GLU 218 N -1.34 -0.20 -0.11 1.70 0.28 -1.26 -4.33 120.64 115.38 1sjb n GLU 218 Ca -0.02 -0.03 -0.05 0.00 -0.16 0.00 0.00 57.16 56.91 1sjb n GLU 218 Cb 0.60 -1.63 0.02 0.00 1.43 0.00 0.00 31.44 31.86 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 -1.37 0.12 0.00 3.44 4.81 -1.94 -1.80 114.58 117.83 1sjb h GLU 219 Ca -0.44 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1sjb h GLU 219 Cb 1.29 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1sjb h GLU 219 CO 0.32 0.08 0.00 0.39 -0.73 0.00 0.00 179.01 179.07 1sjb n GLU 220 N -5.17 0.08 -2.86 1.92 1.02 -1.26 -4.33 120.64 110.04 1sjb n GLU 220 Ca 0.02 0.09 -0.43 0.00 -0.02 0.00 0.00 57.16 56.82 1sjb n GLU 220 Cb 0.19 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.12 1sjb n GLU 220 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1sjb n ASP 221 N -1.45 5.73 0.08 1.62 2.03 -0.68 -4.76 116.55 119.12 1sjb n ASP 221 Ca 0.07 -3.20 -0.12 0.00 0.52 0.00 0.00 54.79 52.05 1sjb n ASP 221 Cb 0.25 -1.39 -0.08 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 3.71 0.88 -0.78 5.18 2.07 -1.82 -2.73 116.25 122.76 1sjb h VAL 222 Ca 0.27 -0.93 0.08 0.00 0.82 0.00 0.00 66.70 66.94 1sjb h VAL 222 Cb 0.70 1.38 -0.07 0.00 -1.52 0.00 0.00 31.29 31.78 1sjb h VAL 222 CO 1.36 0.19 0.44 -0.07 0.02 0.00 0.00 177.57 179.51 1sjb h LEU 223 N -0.76 0.63 -0.87 2.57 3.38 -1.95 -0.39 115.31 117.93 1sjb h LEU 223 Ca -0.03 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.09 1sjb h LEU 223 Cb 0.51 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 1sjb h LEU 223 CO 0.04 0.38 0.51 1.23 0.09 0.00 0.00 178.44 180.69 1sjb h GLY 224 N 0.76 1.37 1.02 0.83 0.00 -1.94 0.69 103.07 105.80 1sjb h GLY 224 Ca 0.37 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 1sjb h GLY 224 CO -0.23 0.14 0.36 0.45 0.00 0.00 0.00 176.54 177.26 1sjb h HIS 225 N 0.84 1.07 -0.70 5.60 3.86 -0.78 0.23 115.15 125.28 1sjb h HIS 225 Ca 0.42 -0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.53 1sjb h HIS 225 Cb 0.39 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 1sjb h HIS 225 CO -0.05 0.79 0.23 0.00 0.86 0.00 0.00 177.93 179.76 1sjb h ALA 226 N 1.18 1.09 -0.27 2.45 0.00 -0.14 0.11 119.26 123.68 1sjb h ALA 226 Ca 0.25 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1sjb h ALA 226 Cb 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1sjb h ALA 226 CO -0.03 0.63 -0.03 1.49 0.00 0.00 0.00 179.25 181.31 1sjb h GLU 227 N 1.03 0.50 -0.58 0.00 4.22 -0.29 -2.93 114.58 116.53 1sjb h GLU 227 Ca 0.23 -0.17 -0.03 0.00 0.08 0.00 0.00 59.36 59.47 1sjb h GLU 227 Cb 0.27 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1sjb h GLU 227 CO -0.01 0.68 0.23 1.25 -2.18 0.00 0.00 179.01 178.99 1sjb h LEU 228 N 0.27 0.76 -1.24 1.64 5.85 -0.24 -1.49 115.31 120.85 1sjb h LEU 228 Ca 0.07 -0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.79 1sjb h LEU 228 Cb 0.48 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 1sjb h LEU 228 CO 0.02 0.68 0.56 0.00 -0.34 0.00 0.00 178.44 179.36 1sjb h ALA 229 N 1.43 1.66 -0.48 1.25 0.00 -0.80 0.06 119.26 122.38 1sjb h ALA 229 Ca 0.20 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1sjb h ALA 229 Cb 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1sjb h ALA 229 CO -0.02 0.17 0.15 0.00 0.00 0.00 0.00 179.25 179.54 1sjb h ARG 230 N 0.85 0.71 0.00 0.00 3.08 -1.14 -3.11 114.38 114.77 1sjb h ARG 230 Ca 0.39 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 1sjb h ARG 230 Cb 0.40 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1sjb h ARG 230 CO -0.16 0.63 -0.96 0.00 -1.07 0.00 0.00 179.97 178.40 1sjb h ARG 231 N 0.70 0.00 -6.32 0.04 3.08 -0.78 -3.47 114.38 107.63 1sjb h ARG 231 Ca 0.16 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.60 1sjb h ARG 231 Cb 0.21 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.10 1sjb h ARG 231 CO -0.01 0.06 -0.79 0.96 -1.07 0.00 0.00 179.97 179.12 1sjb s ILE 232 N -3.27 2.28 -0.51 2.04 -4.36 -0.33 -4.85 121.20 112.21 1sjb s ILE 232 Ca -0.00 -2.15 0.24 0.00 -0.26 0.00 0.00 60.65 58.48 1sjb s ILE 232 Cb 0.09 -2.14 0.16 0.00 1.25 0.00 0.00 42.46 41.82 1sjb s ILE 232 CO 0.78 -0.27 1.42 1.56 0.24 0.00 0.00 174.94 178.68 1sjb h GLN 233 N 2.87 0.00 -6.53 0.37 4.20 -1.90 -3.45 115.11 110.68 1sjb h GLN 233 Ca -0.43 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 57.75 1sjb h GLN 233 Cb 1.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 1sjb h GLN 233 CO 0.53 0.00 0.42 0.99 -0.67 0.00 0.00 178.83 180.10 1sjb s THR 234 N -3.21 4.40 0.24 -0.54 2.01 -1.26 -4.97 115.64 112.31 1sjb s THR 234 Ca 0.06 1.88 -0.30 0.00 0.31 0.00 0.00 61.69 63.63 1sjb s THR 234 Cb 0.10 -4.20 -0.10 0.00 0.01 0.00 0.00 72.50 68.31 1sjb s THR 234 CO 0.70 0.23 1.46 -2.84 -0.69 0.00 0.00 174.62 173.48 1sjb s PRO 235 N 0.39 4.25 0.08 4.92 0.02 -1.26 -4.83 135.00 138.57 1sjb s PRO 235 Ca 0.51 2.33 -0.28 0.00 0.02 0.00 0.00 61.00 63.58 1sjb s PRO 235 Cb -0.25 -3.11 -0.05 0.00 0.02 0.00 0.00 34.50 31.11 1sjb s PRO 235 CO 0.30 -0.46 0.89 0.42 -0.33 0.00 0.00 177.00 177.82 1sjb s ILE 236 N 0.11 4.61 -0.05 2.83 -1.09 -1.26 -1.27 121.20 125.09 1sjb s ILE 236 Ca 0.61 1.90 0.04 0.00 -2.23 0.00 0.00 60.65 60.96 1sjb s ILE 236 Cb -0.42 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.21 1sjb s ILE 236 CO 0.42 0.33 -0.16 0.00 -1.23 0.00 0.00 174.94 174.30 1sjb s LEU 238 N 0.17 3.33 0.00 0.00 1.43 -1.18 -0.05 118.68 122.38 1sjb s LEU 238 Ca -0.06 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1sjb s LEU 238 Cb -0.12 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.28 1sjb s LEU 238 CO 0.03 0.33 0.00 -0.67 0.23 0.00 0.00 176.35 176.27 1sjb n ASP 239 N 1.87 0.00 -0.29 2.29 -0.08 -1.26 -2.40 116.55 116.68 1sjb n ASP 239 Ca -0.17 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.22 1sjb n ASP 239 Cb 0.53 0.00 0.24 0.00 2.34 0.00 0.00 41.12 44.23 1sjb n ASP 239 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1sjb h GLU 240 N 0.00 0.13 -0.79 -0.67 3.07 -1.96 0.26 114.58 114.63 1sjb h GLU 240 Ca 0.00 -0.01 0.11 0.00 -0.50 0.00 0.00 59.36 58.97 1sjb h GLU 240 Cb 0.00 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 27.82 1sjb h GLU 240 CO 0.00 0.09 0.52 0.77 -1.40 0.00 0.00 179.01 178.99 1sjb h SER 241 N 0.14 0.59 -0.15 1.42 0.02 -1.89 -3.36 113.55 110.32 1sjb h SER 241 Ca 0.51 0.02 -0.62 0.00 -0.84 0.00 0.00 61.79 60.86 1sjb h SER 241 Cb 0.99 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1sjb h SER 241 CO -0.70 0.33 2.31 -0.38 -1.14 0.00 0.00 176.83 177.25 1sjb n ILE 242 N -4.51 2.44 1.78 3.27 2.08 0.92 -4.69 119.36 120.65 1sjb n ILE 242 Ca 0.14 -2.24 0.12 0.00 0.56 0.00 0.00 62.75 61.33 1sjb n ILE 242 Cb 0.39 -2.37 0.60 0.00 -0.75 0.00 0.00 39.64 37.51 1sjb n ILE 242 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1sjb n VAL 243 N 6.10 0.04 -3.61 1.39 0.24 -1.26 -4.44 118.33 116.79 1sjb n VAL 243 Ca 0.49 -0.10 0.02 0.00 -2.04 0.00 0.00 64.34 62.71 1sjb n VAL 243 Cb 0.42 -0.11 -0.00 0.00 -1.47 0.00 0.00 33.84 32.67 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 -1.72 -0.05 0.12 -1.34 1.04 -1.26 -4.48 113.70 106.01 1sjb s SER 244 Ca 0.35 -0.11 -0.15 0.00 0.48 0.00 0.00 55.95 56.52 1sjb s SER 244 Cb 0.17 0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 1sjb s SER 244 CO 0.27 -0.24 1.55 0.00 0.98 0.00 0.00 173.24 175.81 1sjb h ALA 245 N 2.00 0.52 -0.74 5.32 0.00 -1.90 0.04 119.26 124.50 1sjb h ALA 245 Ca -0.31 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.39 1sjb h ALA 245 Cb 1.20 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 1sjb h ALA 245 CO 0.29 0.32 0.43 -0.09 0.00 0.00 0.00 179.25 180.20 1sjb h ARG 246 N 0.52 0.76 -0.41 0.00 2.43 -1.98 0.55 114.38 116.24 1sjb h ARG 246 Ca 0.11 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1sjb h ARG 246 Cb 0.51 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1sjb h ARG 246 CO 0.02 0.50 0.26 0.00 -1.51 0.00 0.00 179.97 179.25 1sjb h ALA 247 N 1.38 0.52 -0.44 2.80 0.00 -1.84 -0.00 119.26 121.68 1sjb h ALA 247 Ca 0.33 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1sjb h ALA 247 Cb 0.21 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1sjb h ALA 247 CO -0.19 -0.01 0.25 0.00 0.00 0.00 0.00 179.25 179.30 1sjb h ALA 248 N 1.14 0.55 -0.39 0.00 0.00 0.37 -0.31 119.26 120.62 1sjb h ALA 248 Ca 0.15 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1sjb h ALA 248 Cb -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1sjb h ALA 248 CO -0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 179.25 179.12 1sjb h ALA 249 N 1.20 1.22 -0.10 0.00 0.00 -0.37 0.22 119.26 121.42 1sjb h ALA 249 Ca 0.17 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1sjb h ALA 249 Cb 0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1sjb h ALA 249 CO -0.08 0.51 -0.05 -0.44 0.00 0.00 0.00 179.25 179.19 1sjb h ASP 250 N 0.60 0.22 -0.92 0.00 3.32 -0.70 0.01 116.42 118.95 1sjb h ASP 250 Ca 0.12 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 1sjb h ASP 250 Cb 0.42 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.87 1sjb h ASP 250 CO 0.02 0.59 0.55 0.00 -1.72 0.00 0.00 179.24 178.67 1sjb h ALA 251 N 0.64 1.18 -0.22 3.45 0.00 -0.67 0.28 119.26 123.93 1sjb h ALA 251 Ca 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1sjb h ALA 251 Cb 0.50 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1sjb h ALA 251 CO 0.02 0.64 0.07 0.82 0.00 0.00 0.00 179.25 180.80 1sjb h ILE 252 N 1.27 1.18 -0.90 0.00 2.04 -0.50 0.13 117.51 120.73 1sjb h ILE 252 Ca 0.33 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.66 1sjb h ILE 252 Cb -0.04 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1sjb h ILE 252 CO -0.06 0.18 0.59 0.11 0.00 0.00 0.00 178.15 178.97 1sjb h LYS 253 N 0.19 1.06 -0.05 2.37 1.57 -0.28 -1.63 116.57 119.80 1sjb h LYS 253 Ca 0.07 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1sjb h LYS 253 Cb 0.22 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1sjb h LYS 253 CO -0.00 0.70 0.00 1.28 -0.57 0.00 0.00 179.45 180.86 1sjb n LEU 254 N -4.46 0.51 -1.02 2.94 4.77 0.02 -4.86 117.00 114.91 1sjb n LEU 254 Ca 0.12 -0.21 -0.11 0.00 -0.03 0.00 0.00 56.01 55.78 1sjb n LEU 254 Cb 0.14 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1sjb n LEU 254 CO 0.34 0.11 -0.12 0.61 -1.33 0.00 0.00 177.39 177.00 1sjb n GLY 255 N 0.90 0.70 0.21 -0.72 0.00 -0.61 -4.80 105.19 100.87 1sjb n GLY 255 Ca 0.15 -0.48 0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 0.10 2.90 -3.33 4.61 0.00 0.42 -4.32 120.51 120.88 1sjb n ALA 256 Ca -0.12 -0.35 -0.15 0.00 0.00 0.00 0.00 53.44 52.82 1sjb n ALA 256 Cb 0.46 -1.22 -0.07 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.43 0.04 -0.00 0.00 0.11 -1.23 -4.40 120.40 112.48 1sjb s VAL 257 Ca 0.28 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.02 1sjb s VAL 257 Cb 0.20 -0.78 -0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1sjb s VAL 257 CO 0.48 -0.17 0.00 0.00 -3.33 0.00 0.00 175.10 172.08 1sjb n GLN 258 N 1.06 2.72 -4.08 1.54 6.02 -0.78 -4.71 117.38 119.16 1sjb n GLN 258 Ca -0.20 -0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.64 1sjb n GLN 258 Cb 0.57 -1.01 -0.14 0.00 1.02 0.00 0.00 30.24 30.68 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 -2.01 0.30 -0.13 5.09 1.01 -1.03 -4.00 121.20 120.42 1sjb s ILE 259 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.48 1sjb s ILE 259 Cb 0.00 -0.26 -0.02 0.00 0.01 0.00 0.00 42.46 42.19 1sjb s ILE 259 CO 0.01 0.09 -0.09 -0.69 0.00 0.00 0.00 174.94 174.26 1sjb s VAL 260 N -0.06 3.43 -0.13 2.92 1.01 0.44 -3.09 120.40 124.92 1sjb s VAL 260 Ca 0.01 -0.53 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 1sjb s VAL 260 Cb -0.02 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1sjb s VAL 260 CO -0.00 0.52 0.59 0.21 0.00 0.00 0.00 175.10 176.42 1sjb s ASN 261 N 0.24 6.76 -0.25 3.32 3.84 -1.01 -1.11 114.94 126.74 1sjb s ASN 261 Ca -0.06 0.92 -0.07 0.00 0.21 0.00 0.00 52.86 53.85 1sjb s ASN 261 Cb -0.15 -2.34 -0.03 0.00 -0.55 0.00 0.00 41.25 38.18 1sjb s ASN 261 CO 0.04 -0.13 0.08 -0.63 -2.79 0.00 0.00 177.10 173.67 1sjb s ILE 262 N 1.14 4.37 -0.27 -5.21 1.01 0.21 -4.74 121.20 117.71 1sjb s ILE 262 Ca 0.30 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.83 1sjb s ILE 262 Cb -0.16 -3.05 0.06 0.00 0.01 0.00 0.00 42.46 39.33 1sjb s ILE 262 CO 0.12 0.34 -0.09 -0.54 0.00 0.00 0.00 174.94 174.78 1sjb s LYS 263 N 1.59 2.09 0.29 2.79 1.02 -1.26 -0.12 119.74 126.13 1sjb s LYS 263 Ca 0.06 -1.36 0.03 0.00 0.02 0.00 0.00 55.97 54.72 1sjb s LYS 263 Cb -0.15 -2.88 0.65 0.00 -0.52 0.00 0.00 37.83 34.92 1sjb s LYS 263 CO 0.04 -0.61 1.77 -1.35 -0.92 0.00 0.00 175.35 174.28 1sjb h PRO 264 N 7.78 0.70 0.06 -1.68 0.11 -1.90 -2.14 132.00 134.93 1sjb h PRO 264 Ca -0.17 -0.04 -0.25 0.00 0.11 0.00 0.00 66.00 65.65 1sjb h PRO 264 Cb 1.04 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1sjb h PRO 264 CO 0.46 0.46 -1.08 0.78 -0.21 0.00 0.00 178.00 178.42 1sjb h GLY 265 N 0.72 0.36 0.72 -0.55 0.00 -1.91 2.23 103.07 104.65 1sjb h GLY 265 Ca 0.53 -0.76 0.05 0.00 0.00 0.00 0.00 47.33 47.16 1sjb h GLY 265 CO -0.37 0.66 0.36 -0.09 0.00 0.00 0.00 176.54 177.10 1sjb h ARG 266 N 0.14 0.66 -0.01 4.80 2.43 -1.77 -0.41 114.38 120.22 1sjb h ARG 266 Ca -0.10 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1sjb h ARG 266 Cb 1.76 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.16 1sjb h ARG 266 CO 0.18 0.44 -0.09 1.33 -1.51 0.00 0.00 179.97 180.32 1sjb n VAL 267 N -4.79 0.00 -1.91 0.20 0.24 -0.84 -4.66 118.33 106.57 1sjb n VAL 267 Ca 0.07 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1sjb n VAL 267 Cb 0.15 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 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 1.22 0.79 0.00 7.63 0.00 -0.26 -4.76 105.19 109.81 1sjb n GLY 268 Ca 0.17 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.71 4.33 0.17 -0.02 0.00 0.75 -3.90 105.19 105.81 1sjb n GLY 269 Ca 0.00 -1.45 0.04 0.00 0.00 0.00 0.00 46.02 44.61 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 0.00 -0.19 1.61 -1.99 -1.85 -1.82 116.97 112.72 1sjb h TYR 270 Ca 0.00 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.66 1sjb h TYR 270 Cb 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 1sjb h TYR 270 CO 0.00 0.45 -0.16 -0.07 -0.00 0.00 0.00 178.16 178.37 1sjb h LEU 271 N 0.00 0.48 -1.20 3.88 3.38 -1.92 -2.35 115.31 117.58 1sjb h LEU 271 Ca -0.00 -0.46 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 1sjb h LEU 271 Cb 1.11 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1sjb h LEU 271 CO 0.06 0.84 -0.27 -0.08 0.09 0.00 0.00 178.44 179.08 1sjb h GLU 272 N 0.13 0.21 0.00 1.13 4.57 -1.83 -2.56 114.58 116.22 1sjb h GLU 272 Ca 0.03 -0.07 -0.08 0.00 -1.18 0.00 0.00 59.36 58.06 1sjb h GLU 272 Cb 0.69 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 1sjb h GLU 272 CO 0.04 0.47 -0.38 0.00 -1.18 0.00 0.00 179.01 177.96 1sjb h ALA 273 N 1.54 1.35 -0.36 2.92 0.00 -1.16 -0.87 119.26 122.69 1sjb h ALA 273 Ca 0.03 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1sjb h ALA 273 Cb 0.58 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1sjb h ALA 273 CO 0.04 0.48 -0.22 -0.09 0.00 0.00 0.00 179.25 179.46 1sjb h ARG 274 N 0.00 0.78 -0.09 0.00 2.43 -1.01 -1.58 114.38 114.92 1sjb h ARG 274 Ca -0.00 -0.36 0.01 0.00 -0.81 0.00 0.00 59.98 58.82 1sjb h ARG 274 Cb 0.68 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1sjb h ARG 274 CO 0.05 0.98 0.01 0.00 -1.51 0.00 0.00 179.97 179.50 1sjb h ARG 275 N 0.56 0.04 -0.68 0.20 3.08 -1.34 0.19 114.38 116.44 1sjb h ARG 275 Ca 0.07 -0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.26 1sjb h ARG 275 Cb 0.78 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.71 1sjb h ARG 275 CO 0.06 0.03 0.11 0.28 -1.07 0.00 0.00 179.97 179.38 1sjb h VAL 276 N 0.04 0.52 -0.07 2.04 2.07 -1.06 0.56 116.25 120.35 1sjb h VAL 276 Ca 0.04 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1sjb h VAL 276 Cb 0.04 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 1sjb h VAL 276 CO -0.06 0.04 -0.12 -0.74 0.02 0.00 0.00 177.57 176.72 1sjb h HIS 277 N 0.21 -0.29 -0.77 1.57 -0.00 -0.25 -0.93 115.15 114.69 1sjb h HIS 277 Ca 0.37 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.79 1sjb h HIS 277 Cb 0.62 0.14 -0.05 0.00 -0.00 0.00 0.00 27.41 28.12 1sjb h HIS 277 CO -0.30 -0.18 0.49 -0.44 -0.00 0.00 0.00 177.93 177.50 1sjb h ASP 278 N -0.16 0.80 -0.02 3.26 3.32 0.26 -1.08 116.42 122.80 1sjb h ASP 278 Ca 0.07 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1sjb h ASP 278 Cb 0.26 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1sjb h ASP 278 CO -0.17 0.55 0.01 0.58 -1.72 0.00 0.00 179.24 178.49 1sjb h VAL 279 N 0.95 1.15 -0.24 -1.35 2.07 0.15 -2.16 116.25 116.82 1sjb h VAL 279 Ca 0.31 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1sjb h VAL 279 Cb 0.02 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1sjb h VAL 279 CO -0.11 0.12 0.04 0.00 0.02 0.00 0.00 177.57 177.64 1sjb h ALA 281 N 1.18 1.22 0.00 0.00 0.00 -1.13 0.15 119.26 120.67 1sjb h ALA 281 Ca 0.11 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1sjb h ALA 281 Cb 0.11 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1sjb h ALA 281 CO -0.15 -0.17 -0.04 0.00 0.00 0.00 0.00 179.25 178.89 1sjb h ALA 282 N 1.57 1.22 -0.28 0.00 0.00 -0.67 -0.69 119.26 120.42 1sjb h ALA 282 Ca 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1sjb h ALA 282 Cb 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1sjb h ALA 282 CO -0.40 0.05 0.00 0.72 0.00 0.00 0.00 179.25 179.62 1sjb n HIS 283 N -3.46 0.36 -1.07 0.00 8.25 -0.29 -4.97 115.22 114.03 1sjb n HIS 283 Ca -0.02 -0.26 -0.03 0.00 -0.26 0.00 0.00 57.72 57.16 1sjb n HIS 283 Cb 0.16 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.25 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 0.97 0.58 3.66 -1.41 0.00 -0.26 -5.01 105.19 103.72 1sjb n GLY 284 Ca 0.14 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.00 5.08 0.47 -0.61 -1.09 0.37 -4.97 121.20 118.46 1sjb s ILE 285 Ca 0.00 1.01 -0.22 0.00 -2.23 0.00 0.00 60.65 59.22 1sjb s ILE 285 Cb 0.00 -3.87 -0.08 0.00 -1.58 0.00 0.00 42.46 36.93 1sjb s ILE 285 CO 0.00 0.16 1.09 -2.84 -1.23 0.00 0.00 174.94 172.12 1sjb s PRO 286 N 1.70 3.81 0.18 2.79 0.02 -1.26 -3.74 135.00 138.50 1sjb s PRO 286 Ca 0.25 1.54 0.05 0.00 0.02 0.00 0.00 61.00 62.86 1sjb s PRO 286 Cb -0.16 -2.27 -0.05 0.00 0.02 0.00 0.00 34.50 32.05 1sjb s PRO 286 CO 0.10 -0.46 -0.08 0.14 -0.33 0.00 0.00 177.00 176.37 1sjb s VAL 287 N -1.76 1.25 0.01 3.83 -7.23 -1.08 -0.42 120.40 115.01 1sjb s VAL 287 Ca 0.65 -2.08 -0.17 0.00 -1.81 0.00 0.00 61.98 58.56 1sjb s VAL 287 Cb -0.22 -2.01 0.03 0.00 0.56 0.00 0.00 36.38 34.74 1sjb s VAL 287 CO 0.26 -0.61 0.38 -1.66 -0.31 0.00 0.00 175.10 173.16 1sjb s TRP 288 N -3.28 -0.24 -0.11 2.82 1.48 -0.27 -2.17 118.94 117.17 1sjb s TRP 288 Ca 0.21 0.28 -0.29 0.00 -1.06 0.00 0.00 56.10 55.24 1sjb s TRP 288 Cb 0.03 0.17 -0.01 0.00 -1.16 0.00 0.00 33.47 32.49 1sjb s TRP 288 CO 0.04 -0.49 0.97 0.00 -4.06 0.00 0.00 176.95 173.40 1sjb s GLY 290 N 1.09 1.65 0.14 0.00 0.00 0.83 0.23 107.32 111.25 1sjb s GLY 290 Ca 0.47 -1.13 0.05 0.00 0.00 0.00 0.00 44.72 44.10 1sjb s GLY 290 CO 0.18 -0.93 -0.11 -0.32 0.00 0.00 0.00 173.10 171.92 1sjb s GLY 291 N -4.28 1.07 -0.24 0.20 0.00 -1.25 -4.69 107.32 98.12 1sjb s GLY 291 Ca 0.51 -1.42 0.17 0.00 0.00 0.00 0.00 44.72 43.98 1sjb s GLY 291 CO 0.38 -1.51 1.15 1.03 0.00 0.00 0.00 173.10 174.15 1sjb n MET 292 N 0.04 2.16 -3.73 2.90 2.81 -1.26 -4.99 117.12 115.05 1sjb n MET 292 Ca -0.12 -3.56 -0.26 0.00 -1.81 0.00 0.00 57.70 51.95 1sjb n MET 292 Cb 0.59 -1.67 0.03 0.00 -0.71 0.00 0.00 33.22 31.46 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 -0.56 -5.00 -2.87 2.02 5.41 -1.26 -4.95 119.36 112.15 1sjb n ILE 293 Ca 0.20 -0.75 -0.24 0.00 1.00 0.00 0.00 62.75 62.96 1sjb n ILE 293 Cb 0.88 -3.91 0.01 0.00 -0.71 0.00 0.00 39.64 35.91 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 -6.02 3.07 0.94 0.38 8.01 -1.26 -5.07 118.70 118.76 1sjb s GLU 294 Ca 0.23 -0.36 -0.14 0.00 0.01 0.00 0.00 54.97 54.70 1sjb s GLU 294 Cb -0.07 -2.50 0.16 0.00 -4.31 0.00 0.00 34.13 27.41 1sjb s GLU 294 CO 0.85 -0.34 1.20 0.95 0.01 0.00 0.00 175.26 177.93 1sjb s THR 295 N -2.64 1.95 -0.64 3.63 -4.23 -1.26 -4.67 115.64 107.78 1sjb s THR 295 Ca 0.49 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 61.07 1sjb s THR 295 Cb -0.10 -2.85 0.07 0.00 1.34 0.00 0.00 72.50 70.96 1sjb s THR 295 CO 0.40 0.00 1.18 0.61 -0.54 0.00 0.00 174.62 176.27 1sjb n GLY 296 N -2.80 -0.59 0.10 3.99 0.00 -1.26 -1.00 105.19 103.63 1sjb n GLY 296 Ca 0.11 0.07 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 1sjb n GLY 296 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sjb h LEU 297 N 0.00 -0.19 -0.78 0.99 3.38 -1.95 0.18 115.31 116.94 1sjb h LEU 297 Ca 0.00 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1sjb h LEU 297 Cb 0.10 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1sjb h LEU 297 CO 0.00 -0.03 0.33 1.23 0.09 0.00 0.00 178.44 180.06 1sjb h GLY 298 N -0.43 1.25 0.15 0.83 0.00 -1.83 -2.41 103.07 100.63 1sjb h GLY 298 Ca -0.02 -0.66 0.07 0.00 0.00 0.00 0.00 47.33 46.72 1sjb h GLY 298 CO 0.04 0.63 -0.19 -0.09 0.00 0.00 0.00 176.54 176.92 1sjb h ARG 299 N 1.13 -0.15 -0.59 4.80 2.43 -1.17 0.42 114.38 121.24 1sjb h ARG 299 Ca 0.26 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.52 1sjb h ARG 299 Cb 0.19 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.71 1sjb h ARG 299 CO -0.02 -0.10 0.27 0.00 -1.51 0.00 0.00 179.97 178.60 1sjb h ALA 300 N 1.02 0.77 -0.10 2.80 0.00 -0.59 -0.57 119.26 122.60 1sjb h ALA 300 Ca 0.16 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1sjb h ALA 300 Cb 0.41 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1sjb h ALA 300 CO -0.41 -0.12 0.05 0.00 0.00 0.00 0.00 179.25 178.77 1sjb h ALA 301 N 1.36 0.13 -0.43 0.00 0.00 -0.72 -2.98 119.26 116.63 1sjb h ALA 301 Ca 0.28 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.19 1sjb h ALA 301 Cb 0.28 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 1sjb h ALA 301 CO -0.24 -0.29 -0.03 -0.91 0.00 0.00 0.00 179.25 177.77 1sjb h ASN 302 N 0.03 -0.25 -0.97 0.00 2.35 0.26 -1.04 115.58 115.96 1sjb h ASN 302 Ca 0.04 0.11 0.13 0.00 -0.55 0.00 0.00 56.30 56.02 1sjb h ASN 302 Cb 0.14 0.21 -0.09 0.00 0.05 0.00 0.00 38.32 38.63 1sjb h ASN 302 CO -0.00 -0.08 0.60 0.58 -1.65 0.00 0.00 177.43 176.87 1sjb h VAL 303 N 0.07 0.88 0.12 2.81 2.07 -1.05 0.21 116.25 121.37 1sjb h VAL 303 Ca 0.21 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1sjb h VAL 303 Cb 0.31 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1sjb h VAL 303 CO -0.38 0.17 -0.06 0.00 0.02 0.00 0.00 177.57 177.32 1sjb h ALA 304 N 1.54 -0.16 -0.30 1.67 0.00 -1.21 -3.17 119.26 117.62 1sjb h ALA 304 Ca 0.49 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.34 1sjb h ALA 304 Cb 0.53 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1sjb h ALA 304 CO -0.28 -0.47 -0.20 1.25 0.00 0.00 0.00 179.25 179.55 1sjb h LEU 305 N -0.40 -0.65 0.00 0.00 5.85 -0.59 -1.33 115.31 118.19 1sjb h LEU 305 Ca -0.02 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1sjb h LEU 305 Cb 0.33 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1sjb h LEU 305 CO 0.03 -0.23 0.00 0.00 -0.34 0.00 0.00 178.44 177.89 1sjb n ALA 306 N -2.79 1.71 -0.55 1.25 0.00 0.67 -1.55 120.51 119.25 1sjb n ALA 306 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.50 1sjb n ALA 306 Cb 0.27 -1.13 0.35 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 -1.10 4.54 -4.79 0.00 3.41 -0.50 -4.77 113.62 110.41 1sjb n SER 307 Ca 0.05 -2.31 -0.36 0.00 -0.26 0.00 0.00 58.87 55.99 1sjb n SER 307 Cb 0.04 -0.55 -0.06 0.00 -0.26 0.00 0.00 64.21 63.38 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 -1.58 4.23 0.34 1.04 1.02 -0.59 -1.15 118.68 121.99 1sjb s LEU 308 Ca 0.51 1.86 0.14 0.00 0.02 0.00 0.00 54.13 56.66 1sjb s LEU 308 Cb 0.31 -4.14 1.08 0.00 0.02 0.00 0.00 46.19 43.46 1sjb s LEU 308 CO 0.28 -0.21 1.64 1.55 0.02 0.00 0.00 176.35 179.62 1sjb h PRO 309 N 2.81 0.22 -0.00 1.29 0.13 -1.90 -1.92 132.00 132.62 1sjb h PRO 309 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1sjb h PRO 309 Cb 1.19 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1sjb h PRO 309 CO 0.64 0.14 -0.10 -1.71 -0.23 0.00 0.00 178.00 176.74 1sjb n ASN 310 N -5.14 0.28 -4.58 1.44 5.15 -1.26 -4.52 115.26 106.63 1sjb n ASN 310 Ca 0.31 -0.25 -0.38 0.00 -0.60 0.00 0.00 54.58 53.66 1sjb n ASN 310 Cb 1.00 -0.16 -0.02 0.00 -0.53 0.00 0.00 39.78 40.06 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 -2.64 2.49 -0.38 1.20 0.40 -0.73 -2.62 117.98 115.71 1sjb s PHE 311 Ca 0.24 -0.90 0.13 0.00 -0.60 0.00 0.00 56.93 55.80 1sjb s PHE 311 Cb 0.20 -4.50 0.73 0.00 0.51 0.00 0.00 43.02 39.95 1sjb s PHE 311 CO 0.50 -1.60 1.60 0.25 0.70 0.00 0.00 175.22 176.68 1sjb n THR 312 N 6.89 2.40 -4.00 0.64 -2.24 -0.92 -4.83 114.28 112.22 1sjb n THR 312 Ca 0.47 -1.23 -0.13 0.00 -2.27 0.00 0.00 64.05 60.89 1sjb n THR 312 Cb 0.46 -0.28 -0.14 0.00 -2.10 0.00 0.00 70.33 68.27 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 -2.40 2.04 0.41 3.22 1.43 -1.24 -5.02 118.68 117.11 1sjb s LEU 313 Ca 0.48 -0.12 -0.26 0.00 -1.03 0.00 0.00 54.13 53.21 1sjb s LEU 313 Cb 0.36 -0.10 -0.10 0.00 0.03 0.00 0.00 46.19 46.38 1sjb s LEU 313 CO 0.15 -0.02 1.28 -2.65 0.23 0.00 0.00 176.35 175.33 1sjb n PRO 314 N 2.79 1.97 -3.85 1.29 -0.02 -1.26 -4.52 135.00 131.40 1sjb n PRO 314 Ca -0.14 0.70 -0.23 0.00 -2.02 0.00 0.00 63.50 61.81 1sjb n PRO 314 Cb 0.59 -2.38 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 1sjb n PRO 314 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1sjb s GLY 315 N -0.49 2.25 -1.42 -1.23 0.00 -1.23 -4.70 107.32 100.51 1sjb s GLY 315 Ca 0.60 -1.97 -0.11 0.00 0.00 0.00 0.00 44.72 43.24 1sjb s GLY 315 CO 0.59 -1.81 2.59 1.22 0.00 0.00 0.00 173.10 175.69 1sjb n ASP 316 N -1.41 6.62 -3.00 1.64 8.00 0.14 -1.17 116.55 127.37 1sjb n ASP 316 Ca 0.01 -2.60 -0.28 0.00 0.71 0.00 0.00 54.79 52.64 1sjb n ASP 316 Cb 0.63 -1.48 -0.04 0.00 -0.02 0.00 0.00 41.12 40.22 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 4.18 3.22 -1.40 -3.53 -2.24 -1.26 -3.91 114.28 109.34 1sjb n THR 317 Ca 0.65 -5.60 -0.29 0.00 -2.27 0.00 0.00 64.05 56.54 1sjb n THR 317 Cb 0.26 -1.44 0.12 0.00 -2.10 0.00 0.00 70.33 67.18 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 -3.33 3.75 0.76 3.42 0.01 -1.26 -4.62 113.70 112.42 1sjb s SER 318 Ca 0.48 1.27 -0.12 0.00 1.31 0.00 0.00 55.95 58.89 1sjb s SER 318 Cb 0.27 -1.94 0.05 0.00 0.21 0.00 0.00 66.02 64.61 1sjb s SER 318 CO -0.13 -2.43 1.11 0.00 0.41 0.00 0.00 173.24 172.19 1sjb s ALA 319 N -3.09 2.20 0.26 1.44 0.00 -1.26 -4.92 121.76 116.40 1sjb s ALA 319 Ca 0.63 0.43 -0.01 0.00 0.00 0.00 0.00 51.96 53.01 1sjb s ALA 319 Cb -0.16 -3.32 0.57 0.00 0.00 0.00 0.00 23.12 20.20 1sjb s ALA 319 CO 0.55 -1.77 1.72 0.77 0.00 0.00 0.00 175.76 177.03 1sjb h SER 320 N -0.85 0.32 0.41 0.00 0.02 -1.30 -2.31 113.55 109.84 1sjb h SER 320 Ca -0.45 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.61 1sjb h SER 320 Cb 1.24 0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.88 1sjb h SER 320 CO 0.51 0.08 -0.09 -2.24 -1.14 0.00 0.00 176.83 173.94 1sjb h ASP 321 N 0.45 0.00 -0.07 3.07 3.04 -1.77 -1.71 116.42 119.43 1sjb h ASP 321 Ca 0.48 0.00 0.02 0.00 -3.24 0.00 0.00 57.03 54.29 1sjb h ASP 321 Cb 0.79 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.08 1sjb h ASP 321 CO -0.45 0.09 0.23 -0.09 -2.04 0.00 0.00 179.24 176.98 1sjb h ARG 322 N 0.00 0.00 0.00 4.15 1.12 -1.78 -3.14 114.38 114.74 1sjb h ARG 322 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1sjb h ARG 322 Cb 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.28 1sjb h ARG 322 CO 0.01 0.00 -0.46 1.19 -3.11 0.00 0.00 179.97 177.61 1sjb n PHE 323 N -3.19 0.00 -4.35 2.20 0.99 -1.13 -4.72 117.46 107.26 1sjb n PHE 323 Ca -0.01 0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 57.24 1sjb n PHE 323 Cb 0.31 0.00 -0.16 0.00 -1.00 0.00 0.00 39.48 38.63 1sjb n PHE 323 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.76 177.47 1sjb s TYR 324 N -1.16 0.92 0.10 1.38 1.51 -0.66 -1.65 117.35 117.78 1sjb s TYR 324 Ca 0.00 -0.24 -0.11 0.00 -1.01 0.00 0.00 57.07 55.71 1sjb s TYR 324 Cb 0.00 -0.68 -0.17 0.00 -0.11 0.00 0.00 41.96 41.00 1sjb s TYR 324 CO 0.00 -0.12 1.26 -0.22 -1.11 0.00 0.00 175.55 175.35 1sjb h LYS 325 N 6.56 0.65 -3.68 -0.62 3.64 -1.82 -3.24 116.57 118.06 1sjb h LYS 325 Ca -0.34 -0.65 -0.60 0.00 -1.27 0.00 0.00 60.65 57.79 1sjb h LYS 325 Cb 1.17 0.17 -0.40 0.00 -0.41 0.00 0.00 32.23 32.76 1sjb h LYS 325 CO 0.48 1.25 -0.74 0.99 -2.27 0.00 0.00 179.45 179.16 1sjb s THR 326 N -3.43 1.27 0.32 1.00 2.01 -1.26 -4.97 115.64 110.57 1sjb s THR 326 Ca -0.09 -1.81 -0.26 0.00 0.31 0.00 0.00 61.69 59.84 1sjb s THR 326 Cb 0.08 -1.94 -0.10 0.00 0.01 0.00 0.00 72.50 70.55 1sjb s THR 326 CO 0.90 -0.70 0.94 -0.62 -0.69 0.00 0.00 174.62 174.45 1sjb s ASP 327 N 1.23 7.34 0.00 3.53 -1.08 -1.26 -4.96 116.67 121.47 1sjb s ASP 327 Ca 0.11 1.83 0.12 0.00 -0.52 0.00 0.00 52.55 54.10 1sjb s ASP 327 Cb -0.19 -2.58 0.74 0.00 -1.46 0.00 0.00 42.92 39.43 1sjb s ASP 327 CO -0.17 -0.06 1.17 2.30 0.52 0.00 0.00 175.17 178.93 1sjb n ILE 328 N 0.59 0.00 -4.19 4.11 -5.35 -1.26 -4.76 119.36 108.50 1sjb n ILE 328 Ca 0.02 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.38 1sjb n ILE 328 Cb 0.50 -0.62 -0.04 0.00 -1.74 0.00 0.00 39.64 37.74 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 -0.88 0.00 -1.80 7.28 -2.24 -1.26 0.13 114.28 115.51 1sjb n THR 329 Ca 0.09 -1.32 -0.41 0.00 -2.27 0.00 0.00 64.05 60.15 1sjb n THR 329 Cb 0.04 0.61 0.01 0.00 -2.10 0.00 0.00 70.33 68.88 1sjb n THR 329 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1sjb s GLU 330 N -2.77 3.94 0.59 -0.78 0.41 -1.26 -4.89 118.70 113.93 1sjb s GLU 330 Ca 0.19 2.51 -0.14 0.00 -0.41 0.00 0.00 54.97 57.12 1sjb s GLU 330 Cb 0.01 -2.84 -0.04 0.00 -1.78 0.00 0.00 34.13 29.47 1sjb s GLU 330 CO 0.13 -0.65 1.03 -2.14 -0.49 0.00 0.00 175.26 173.14 1sjb s PRO 331 N -2.24 3.55 -0.25 0.39 0.01 -1.26 -4.91 135.00 130.29 1sjb s PRO 331 Ca 0.56 0.96 -0.12 0.00 0.01 0.00 0.00 61.00 62.41 1sjb s PRO 331 Cb -0.45 -2.07 -0.05 0.00 0.01 0.00 0.00 34.50 31.94 1sjb s PRO 331 CO 0.60 -0.61 0.25 -0.06 0.01 0.00 0.00 177.00 177.20 1sjb s PHE 332 N -2.79 3.28 -0.14 6.54 0.40 -1.26 -4.99 117.98 119.01 1sjb s PHE 332 Ca 0.59 0.28 0.01 0.00 -0.60 0.00 0.00 56.93 57.22 1sjb s PHE 332 Cb -0.12 -2.41 0.02 0.00 0.51 0.00 0.00 43.02 41.02 1sjb s PHE 332 CO 0.42 -0.08 -0.17 0.08 0.70 0.00 0.00 175.22 176.17 1sjb s VAL 333 N 1.55 1.72 0.39 -0.44 1.01 -1.26 -0.77 120.40 122.60 1sjb s VAL 333 Ca 0.11 -0.75 -0.27 0.00 0.00 0.00 0.00 61.98 61.06 1sjb s VAL 333 Cb -0.15 -1.57 -0.10 0.00 0.00 0.00 0.00 36.38 34.56 1sjb s VAL 333 CO 0.08 0.48 1.49 -0.22 0.00 0.00 0.00 175.10 176.93 1sjb s LEU 334 N 1.16 4.27 -0.12 3.92 2.96 -1.26 -4.80 118.68 124.81 1sjb s LEU 334 Ca -0.01 3.05 -0.04 0.00 -0.22 0.00 0.00 54.13 56.91 1sjb s LEU 334 Cb -0.14 -3.72 0.06 0.00 0.50 0.00 0.00 46.19 42.89 1sjb s LEU 334 CO -0.06 -0.96 0.21 -0.55 -1.32 0.00 0.00 176.35 173.67 1sjb s SER 335 N -0.19 0.72 -1.48 3.68 0.15 0.53 -4.85 113.70 112.27 1sjb s SER 335 Ca 0.55 0.33 -0.11 0.00 0.70 0.00 0.00 55.95 57.41 1sjb s SER 335 Cb -0.46 0.45 0.07 0.00 -1.71 0.00 0.00 66.02 64.36 1sjb s SER 335 CO 0.63 -0.26 0.83 0.61 1.20 0.00 0.00 173.24 176.25 1sjb n GLY 336 N 5.33 -0.50 2.52 9.45 0.00 -1.26 0.11 105.19 120.84 1sjb n GLY 336 Ca -0.05 0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.56 1.44 3.39 -0.02 0.00 -1.25 -4.95 105.19 102.24 1sjb n GLY 337 Ca 0.01 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 1sjb n GLY 337 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sjb s HIS 338 N -2.42 1.89 -0.02 1.61 3.76 0.30 -1.42 115.29 118.98 1sjb s HIS 338 Ca 0.00 -0.57 0.07 0.00 -0.15 0.00 0.00 55.06 54.41 1sjb s HIS 338 Cb 0.00 -0.93 -0.02 0.00 1.11 0.00 0.00 32.58 32.75 1sjb s HIS 338 CO 0.00 0.40 -0.22 -0.51 -0.85 0.00 0.00 174.74 173.56 1sjb s LEU 339 N -3.39 2.03 0.11 0.89 1.02 0.05 -0.35 118.68 119.04 1sjb s LEU 339 Ca 0.26 -0.41 -0.23 0.00 0.02 0.00 0.00 54.13 53.77 1sjb s LEU 339 Cb -0.00 -1.15 -0.07 0.00 0.02 0.00 0.00 46.19 44.99 1sjb s LEU 339 CO 0.10 0.26 0.71 -2.16 0.02 0.00 0.00 176.35 175.27 1sjb s PRO 340 N -0.43 4.44 -0.09 1.29 0.04 -1.26 -0.45 135.00 138.54 1sjb s PRO 340 Ca 0.06 1.00 -0.30 0.00 0.04 0.00 0.00 61.00 61.80 1sjb s PRO 340 Cb -0.09 -3.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.15 1sjb s PRO 340 CO -0.00 0.52 1.03 0.08 0.04 0.00 0.00 177.00 178.67 1sjb s VAL 341 N -0.88 4.72 0.42 -0.36 1.01 0.28 -4.95 120.40 120.65 1sjb s VAL 341 Ca 0.34 1.99 -0.25 0.00 0.00 0.00 0.00 61.98 64.06 1sjb s VAL 341 Cb -0.21 -4.28 -0.10 0.00 0.00 0.00 0.00 36.38 31.78 1sjb s VAL 341 CO 0.23 0.02 1.10 -2.65 0.00 0.00 0.00 175.10 173.80 1sjb n PRO 342 N 4.90 1.54 -0.01 2.72 -0.02 -1.26 -4.94 135.00 137.93 1sjb n PRO 342 Ca 0.09 0.55 0.07 0.00 -2.02 0.00 0.00 63.50 62.19 1sjb n PRO 342 Cb 0.49 -2.15 -0.11 0.00 -0.02 0.00 0.00 33.50 31.71 1sjb n PRO 342 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1sjb n THR 343 N -0.37 0.00 -1.79 3.45 -2.24 -1.26 -4.77 114.28 107.29 1sjb n THR 343 Ca 0.09 -0.32 -0.29 0.00 -2.27 0.00 0.00 64.05 61.25 1sjb n THR 343 Cb 0.39 0.17 0.09 0.00 -2.10 0.00 0.00 70.33 68.88 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 -3.64 1.60 0.62 3.38 0.00 -1.26 -4.70 107.32 103.32 1sjb s GLY 344 Ca -0.05 -0.50 -0.18 0.00 0.00 0.00 0.00 44.72 43.98 1sjb s GLY 344 CO 0.59 -0.04 1.13 -1.05 0.00 0.00 0.00 173.10 173.73 1sjb n PRO 345 N -3.33 1.04 0.00 2.90 -0.02 -1.26 -3.53 135.00 130.80 1sjb n PRO 345 Ca 0.07 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1sjb n PRO 345 Cb 0.59 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1sjb n PRO 345 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sjb n GLY 346 N 1.10 2.67 0.39 -1.23 0.00 0.11 -0.37 105.19 107.86 1sjb n GLY 346 Ca 0.14 -0.20 0.18 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.86 -1.44 115.31 116.64 1sjb h LEU 347 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1sjb h LEU 347 Cb 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1sjb h LEU 347 CO 0.00 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.27 1sjb n GLY 348 N -1.57 0.74 3.22 0.83 0.00 0.50 -4.77 105.19 104.14 1sjb n GLY 348 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.71 0.08 0.07 1.61 1.01 -1.26 -4.54 120.40 114.67 1sjb s VAL 349 Ca 0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 61.98 61.13 1sjb s VAL 349 Cb 0.00 -0.81 0.03 0.00 0.00 0.00 0.00 36.38 35.60 1sjb s VAL 349 CO 0.00 -0.38 0.38 0.00 0.00 0.00 0.00 175.10 175.10 1sjb s ALA 350 N -2.15 -0.89 0.37 5.51 0.00 -1.26 -5.01 121.76 118.32 1sjb s ALA 350 Ca -0.08 0.11 -0.27 0.00 0.00 0.00 0.00 51.96 51.73 1sjb s ALA 350 Cb -0.03 0.44 -0.09 0.00 0.00 0.00 0.00 23.12 23.44 1sjb s ALA 350 CO -0.01 -0.50 1.22 -1.25 0.00 0.00 0.00 175.76 175.22 1sjb s PRO 351 N -2.91 4.20 -0.49 0.00 0.05 -1.25 -4.30 135.00 130.30 1sjb s PRO 351 Ca -0.03 2.00 -0.23 0.00 0.05 0.00 0.00 61.00 62.79 1sjb s PRO 351 Cb 0.00 -2.87 0.03 0.00 0.05 0.00 0.00 34.50 31.71 1sjb s PRO 351 CO -0.06 -0.24 0.83 0.42 0.05 0.00 0.00 177.00 178.01 1sjb s ILE 352 N -1.27 4.57 0.19 0.56 1.01 0.35 -4.92 121.20 121.68 1sjb s ILE 352 Ca 0.53 0.30 -0.25 0.00 0.00 0.00 0.00 60.65 61.23 1sjb s ILE 352 Cb -0.35 -4.40 0.06 0.00 0.01 0.00 0.00 42.46 37.78 1sjb s ILE 352 CO 0.45 -0.87 1.53 -0.81 0.00 0.00 0.00 174.94 175.23 1sjb n PRO 353 N 6.95 -0.35 -0.11 2.79 -0.04 -1.26 0.29 135.00 143.27 1sjb n PRO 353 Ca 0.01 1.50 -0.12 0.00 -0.04 0.00 0.00 63.50 64.86 1sjb n PRO 353 Cb 0.48 -2.22 -0.07 0.00 -0.04 0.00 0.00 33.50 31.65 1sjb n PRO 353 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1sjb h GLU 354 N 0.00 -0.38 -0.35 0.54 4.81 -1.97 -1.84 114.58 115.39 1sjb h GLU 354 Ca 0.24 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.56 1sjb h GLU 354 Cb 0.48 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.88 1sjb h GLU 354 CO -0.95 -0.25 -0.12 -0.07 -0.73 0.00 0.00 179.01 176.89 1sjb h LEU 355 N -0.39 -0.42 -0.71 1.64 3.38 -1.16 -2.91 115.31 114.73 1sjb h LEU 355 Ca 0.10 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.29 1sjb h LEU 355 Cb 0.61 0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 1sjb h LEU 355 CO -0.55 -0.15 0.34 0.25 0.09 0.00 0.00 178.44 178.41 1sjb h LEU 356 N -0.05 0.42 -1.02 1.67 6.46 0.64 -2.65 115.31 120.79 1sjb h LEU 356 Ca 0.17 0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.97 1sjb h LEU 356 Cb 0.31 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 1sjb h LEU 356 CO -0.38 0.23 0.33 0.44 -0.62 0.00 0.00 178.44 178.44 1sjb h ASP 357 N 0.56 0.93 -0.04 1.25 3.32 -1.22 -1.60 116.42 119.63 1sjb h ASP 357 Ca 0.36 -0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.33 1sjb h ASP 357 Cb 0.42 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1sjb h ASP 357 CO -0.29 0.80 -0.21 -0.33 -1.72 0.00 0.00 179.24 177.48 1sjb h GLU 358 N 1.02 -0.31 -0.01 3.56 5.08 -1.34 -2.75 114.58 119.83 1sjb h GLU 358 Ca 0.25 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1sjb h GLU 358 Cb 0.13 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1sjb h GLU 358 CO -0.03 -0.20 0.00 1.33 -1.00 0.00 0.00 179.01 179.11 1sjb n VAL 359 N -5.34 0.00 -2.36 3.13 0.24 -1.15 -4.87 118.33 107.98 1sjb n VAL 359 Ca -0.04 -0.15 -0.40 0.00 -2.04 0.00 0.00 64.34 61.71 1sjb n VAL 359 Cb 0.26 0.09 -0.04 0.00 -1.47 0.00 0.00 33.84 32.68 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 -2.00 3.25 -0.03 3.34 2.01 -0.61 -2.10 115.64 119.50 1sjb s THR 360 Ca 0.42 1.25 0.04 0.00 0.31 0.00 0.00 61.69 63.70 1sjb s THR 360 Cb 0.21 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 1sjb s THR 360 CO 0.35 0.29 0.03 0.41 -0.69 0.00 0.00 174.62 175.01 1sjb n THR 361 N 1.14 0.23 -3.99 -0.82 -1.04 -0.50 -4.94 114.28 104.36 1sjb n THR 361 Ca -0.01 -0.15 -0.09 0.00 -2.04 0.00 0.00 64.05 61.76 1sjb n THR 361 Cb 0.44 -0.70 -0.06 0.00 -1.82 0.00 0.00 70.33 68.19 1sjb n THR 361 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sjb s ALA 362 N -2.12 -0.13 -0.28 2.41 0.00 -1.23 -4.96 121.76 115.45 1sjb s ALA 362 Ca -0.02 -0.89 -0.21 0.00 0.00 0.00 0.00 51.96 50.84 1sjb s ALA 362 Cb 0.01 1.04 0.09 0.00 0.00 0.00 0.00 23.12 24.26 1sjb s ALA 362 CO 0.16 -0.79 0.81 0.21 0.00 0.00 0.00 175.76 176.15 1sjb s LYS 363 N -4.01 0.67 -0.06 0.00 2.20 -1.25 -2.41 119.74 114.89 1sjb s LYS 363 Ca 0.22 0.94 -0.08 0.00 -0.36 0.00 0.00 55.97 56.69 1sjb s LYS 363 Cb 0.01 0.25 0.02 0.00 -1.51 0.00 0.00 37.83 36.60 1sjb s LYS 363 CO 0.06 -0.10 0.21 0.08 -0.36 0.00 0.00 175.35 175.24 1sjb s VAL 364 N 0.85 0.02 -0.19 4.02 1.01 0.28 -4.97 120.40 121.42 1sjb s VAL 364 Ca -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 1sjb s VAL 364 Cb -0.05 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 35.99 1sjb s VAL 364 CO -0.09 -0.09 -0.13 0.86 0.00 0.00 0.00 175.10 175.66 1sjb s TRP 365 N -0.27 2.86 -0.27 5.22 -0.11 -1.26 0.11 118.94 125.22 1sjb s TRP 365 Ca -0.04 -1.27 -0.04 0.00 1.22 0.00 0.00 56.10 55.97 1sjb s TRP 365 Cb -0.03 -2.00 0.01 0.00 -1.50 0.00 0.00 33.47 29.96 1sjb s TRP 365 CO 0.01 -0.66 0.01 0.42 -4.62 0.00 0.00 176.95 172.11 1sjb s ILE 366 N 1.31 3.49 0.00 5.86 1.01 0.15 -4.98 121.20 128.03 1sjb s ILE 366 Ca 0.04 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.91 1sjb s ILE 366 Cb -0.14 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.57 1sjb s ILE 366 CO -0.07 0.18 0.34 0.61 0.00 0.00 0.00 174.94 176.00