#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjd s LYS 2 N 0.00 2.92 -0.20 0.03 -2.85 -1.26 -1.12 119.74 117.26 1sjd s LYS 2 Ca 0.00 -0.82 -0.29 0.00 -1.00 0.00 0.00 55.97 53.86 1sjd s LYS 2 Cb 0.00 -2.36 0.01 0.00 -2.06 0.00 0.00 37.83 33.41 1sjd s LYS 2 CO 0.00 -0.02 1.03 -1.17 0.10 0.00 0.00 175.35 175.30 1sjd s LEU 3 N 0.82 4.13 -0.07 2.77 2.96 -1.26 -4.08 118.68 123.95 1sjd s LEU 3 Ca -0.07 1.41 -0.09 0.00 -0.22 0.00 0.00 54.13 55.15 1sjd s LEU 3 Cb -0.15 -3.54 -0.29 0.00 0.50 0.00 0.00 46.19 42.70 1sjd s LEU 3 CO -0.02 -0.62 0.57 0.28 -1.32 0.00 0.00 176.35 175.24 1sjd h SER 4 N 7.38 0.55 0.00 3.68 0.02 -0.10 -3.45 113.55 121.62 1sjd h SER 4 Ca -0.22 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 59.80 1sjd h SER 4 Cb 1.08 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.44 1sjd h SER 4 CO 0.95 1.81 0.00 0.61 -1.14 0.00 0.00 176.83 179.06 1sjd n GLY 5 N 1.90 -0.84 2.94 -3.77 0.00 -1.11 -4.56 105.19 99.75 1sjd n GLY 5 Ca -0.27 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.51 1sjd n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sjd s VAL 6 N -2.00 -0.03 -0.25 1.61 1.01 0.35 -0.01 120.40 121.08 1sjd s VAL 6 Ca 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 62.00 1sjd s VAL 6 Cb 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 1sjd s VAL 6 CO 0.00 0.05 0.11 -0.70 0.00 0.00 0.00 175.10 174.56 1sjd s GLU 7 N 0.72 3.83 -0.18 2.72 2.12 -0.50 -0.27 118.70 127.15 1sjd s GLU 7 Ca -0.05 -0.39 -0.11 0.00 0.36 0.00 0.00 54.97 54.77 1sjd s GLU 7 Cb -0.07 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.84 1sjd s GLU 7 CO -0.03 -0.09 0.19 -0.51 -0.54 0.00 0.00 175.26 174.28 1sjd s LEU 8 N 1.42 4.24 -0.02 2.70 1.43 0.48 -0.95 118.68 127.97 1sjd s LEU 8 Ca 0.06 0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.54 1sjd s LEU 8 Cb -0.15 -2.20 0.00 0.00 0.03 0.00 0.00 46.19 43.88 1sjd s LEU 8 CO 0.06 0.17 -0.08 -0.60 0.23 0.00 0.00 176.35 176.13 1sjd s ARG 9 N 0.27 0.79 -0.05 1.70 3.52 -0.19 -1.48 118.95 123.50 1sjd s ARG 9 Ca 0.12 -0.25 -0.10 0.00 -0.13 0.00 0.00 55.73 55.36 1sjd s ARG 9 Cb -0.12 -0.75 -0.05 0.00 -1.56 0.00 0.00 34.95 32.47 1sjd s ARG 9 CO 0.01 0.10 0.28 1.03 -0.81 0.00 0.00 175.30 175.90 1sjd s ARG 10 N 0.17 3.67 0.02 5.12 1.81 0.18 -1.08 118.95 128.84 1sjd s ARG 10 Ca -0.02 0.12 0.02 0.00 -1.72 0.00 0.00 55.73 54.13 1sjd s ARG 10 Cb -0.07 -3.19 -0.02 0.00 -0.45 0.00 0.00 34.95 31.23 1sjd s ARG 10 CO 0.00 0.72 -0.07 0.08 -0.68 0.00 0.00 175.30 175.35 1sjd s VAL 11 N -1.09 0.53 -0.09 3.52 1.01 0.35 -0.66 120.40 123.97 1sjd s VAL 11 Ca 0.21 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1sjd s VAL 11 Cb -0.14 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.72 1sjd s VAL 11 CO 0.10 -0.14 -0.11 -1.10 0.00 0.00 0.00 175.10 173.85 1sjd s GLN 12 N -0.93 1.72 -0.18 2.72 -0.21 -0.43 -0.39 119.66 121.96 1sjd s GLN 12 Ca -0.04 -0.38 -0.00 0.00 0.02 0.00 0.00 55.36 54.95 1sjd s GLN 12 Cb -0.06 -1.54 0.05 0.00 1.00 0.00 0.00 33.01 32.45 1sjd s GLN 12 CO 0.00 -0.09 -0.05 -1.64 -2.12 0.00 0.00 175.29 171.40 1sjd s MET 13 N 1.07 1.42 0.39 2.91 -1.94 0.90 -4.76 119.30 119.29 1sjd s MET 13 Ca -0.07 -0.59 -0.27 0.00 -1.71 0.00 0.00 55.69 53.06 1sjd s MET 13 Cb -0.15 -2.11 -0.09 0.00 2.01 0.00 0.00 34.83 34.49 1sjd s MET 13 CO -0.01 -0.47 1.29 -1.25 -0.01 0.00 0.00 175.02 174.57 1sjd s PRO 14 N 1.61 4.07 0.43 2.03 0.04 -1.26 0.99 135.00 142.91 1sjd s PRO 14 Ca -0.00 2.14 -0.21 0.00 0.04 0.00 0.00 61.00 62.97 1sjd s PRO 14 Cb -0.16 -2.83 -0.11 0.00 0.04 0.00 0.00 34.50 31.44 1sjd s PRO 14 CO -0.08 -0.40 0.96 -0.51 0.04 0.00 0.00 177.00 177.01 1sjd s LEU 15 N -2.28 3.95 0.36 -3.56 1.02 0.28 -4.70 118.68 113.75 1sjd s LEU 15 Ca 0.55 1.71 0.09 0.00 0.02 0.00 0.00 54.13 56.50 1sjd s LEU 15 Cb -0.38 -4.52 0.67 0.00 0.02 0.00 0.00 46.19 41.98 1sjd s LEU 15 CO 0.49 -0.38 1.83 0.58 0.02 0.00 0.00 176.35 178.90 1sjd h VAL 16 N 1.91 1.23 -1.94 -1.59 2.07 -0.19 -3.44 116.25 114.31 1sjd h VAL 16 Ca -0.49 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 65.94 1sjd h VAL 16 Cb 1.18 1.44 -0.22 0.00 -1.52 0.00 0.00 31.29 32.17 1sjd h VAL 16 CO 0.61 0.33 0.14 0.00 0.02 0.00 0.00 177.57 178.67 1sjd s ALA 17 N -4.45 -1.86 0.15 1.67 0.00 -1.26 -5.08 121.76 110.92 1sjd s ALA 17 Ca -0.05 2.16 -0.32 0.00 0.00 0.00 0.00 51.96 53.75 1sjd s ALA 17 Cb 0.15 -1.32 -0.17 0.00 0.00 0.00 0.00 23.12 21.78 1sjd s ALA 17 CO 0.74 -0.34 0.87 -2.30 0.00 0.00 0.00 175.76 174.73 1sjd n PRO 18 N 3.24 0.42 -3.99 0.00 -0.02 -1.26 -4.89 135.00 128.51 1sjd n PRO 18 Ca -0.16 0.15 -0.34 0.00 -2.02 0.00 0.00 63.50 61.13 1sjd n PRO 18 Cb 0.57 -1.44 -0.14 0.00 -0.02 0.00 0.00 33.50 32.46 1sjd n PRO 18 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1sjd s PHE 19 N -0.53 3.16 -0.17 6.00 5.36 0.61 -4.87 117.98 127.53 1sjd s PHE 19 Ca 0.73 -1.88 -0.03 0.00 -0.96 0.00 0.00 56.93 54.79 1sjd s PHE 19 Cb -0.98 -2.02 -0.02 0.00 -0.34 0.00 0.00 43.02 39.66 1sjd s PHE 19 CO 0.56 -0.80 -0.04 0.50 -1.46 0.00 0.00 175.22 173.97 1sjd s ARG 20 N 1.24 3.56 0.51 10.12 3.52 -1.26 0.77 118.95 137.40 1sjd s ARG 20 Ca -0.04 -0.57 0.01 0.00 -0.13 0.00 0.00 55.73 55.01 1sjd s ARG 20 Cb -0.18 -2.93 -0.01 0.00 -1.56 0.00 0.00 34.95 30.27 1sjd s ARG 20 CO -0.04 0.10 0.01 0.95 -0.81 0.00 0.00 175.30 175.50 1sjd s THR 21 N 0.73 1.16 -0.55 4.11 -4.23 0.32 -1.21 115.64 115.97 1sjd s THR 21 Ca -0.02 -1.99 0.17 0.00 -1.18 0.00 0.00 61.69 58.67 1sjd s THR 21 Cb -0.15 -2.15 0.17 0.00 1.34 0.00 0.00 72.50 71.71 1sjd s THR 21 CO 0.02 0.00 1.51 -1.54 -0.54 0.00 0.00 174.62 174.07 1sjd n SER 22 N -1.28 0.40 -1.03 3.99 3.41 -1.26 -0.57 113.62 117.28 1sjd n SER 22 Ca -0.19 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.18 1sjd n SER 22 Cb 0.67 -0.71 0.16 0.00 -0.26 0.00 0.00 64.21 64.06 1sjd n SER 22 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1sjd n PHE 23 N -1.99 0.26 0.00 7.33 -1.74 -1.26 -5.03 117.46 115.03 1sjd n PHE 23 Ca 0.01 -0.14 0.00 0.00 -0.56 0.00 0.00 57.45 56.76 1sjd n PHE 23 Cb 0.10 -0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.10 1sjd n PHE 23 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1sjd n GLY 24 N 1.38 0.96 3.71 4.97 0.00 0.27 -5.02 105.19 111.46 1sjd n GLY 24 Ca 0.16 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 1sjd n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sjd s THR 25 N -1.03 4.26 -0.04 2.61 2.01 -1.26 0.12 115.64 122.31 1sjd s THR 25 Ca 0.00 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.30 1sjd s THR 25 Cb 0.00 -2.97 0.02 0.00 0.01 0.00 0.00 72.50 69.55 1sjd s THR 25 CO 0.00 0.25 -0.05 -1.58 -0.69 0.00 0.00 174.62 172.55 1sjd s GLN 26 N -1.95 0.78 -0.01 4.92 0.74 0.23 -4.91 119.66 119.46 1sjd s GLN 26 Ca 0.24 -0.13 0.04 0.00 0.05 0.00 0.00 55.36 55.56 1sjd s GLN 26 Cb -0.12 -0.78 -0.07 0.00 1.10 0.00 0.00 33.01 33.15 1sjd s GLN 26 CO 0.15 -0.04 0.09 0.43 -0.55 0.00 0.00 175.29 175.38 1sjd n SER 27 N 3.83 4.01 -4.21 6.67 7.64 -1.26 0.23 113.62 130.53 1sjd n SER 27 Ca -0.24 -0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.52 1sjd n SER 27 Cb 0.52 1.19 -0.10 0.00 -1.01 0.00 0.00 64.21 64.81 1sjd n SER 27 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1sjd s VAL 28 N -2.29 0.74 -0.22 0.44 1.01 -1.26 0.10 120.40 118.92 1sjd s VAL 28 Ca -0.02 -1.97 0.01 0.00 0.00 0.00 0.00 61.98 60.01 1sjd s VAL 28 Cb 0.03 -1.91 0.05 0.00 0.00 0.00 0.00 36.38 34.54 1sjd s VAL 28 CO 0.17 -0.67 -0.10 -0.60 0.00 0.00 0.00 175.10 173.90 1sjd s ARG 29 N -3.86 2.09 -0.24 2.72 3.00 0.28 -4.77 118.95 118.16 1sjd s ARG 29 Ca 0.18 -1.00 -0.13 0.00 -1.00 0.00 0.00 55.73 53.78 1sjd s ARG 29 Cb 0.05 -2.58 -0.04 0.00 0.00 0.00 0.00 34.95 32.38 1sjd s ARG 29 CO 0.00 -0.48 0.29 -1.21 0.00 0.00 0.00 175.30 173.91 1sjd s GLU 30 N 1.31 4.09 0.10 5.12 2.02 -1.26 -0.07 118.70 130.01 1sjd s GLU 30 Ca -0.04 -0.04 -0.03 0.00 0.02 0.00 0.00 54.97 54.89 1sjd s GLU 30 Cb -0.17 -3.57 -0.03 0.00 0.10 0.00 0.00 34.13 30.45 1sjd s GLU 30 CO -0.07 -0.07 0.07 -0.48 0.02 0.00 0.00 175.26 174.73 1sjd s LEU 31 N 1.43 1.88 -0.19 1.80 0.05 0.47 -4.54 118.68 119.58 1sjd s LEU 31 Ca 0.13 -1.01 -0.02 0.00 0.05 0.00 0.00 54.13 53.27 1sjd s LEU 31 Cb -0.15 0.48 -0.01 0.00 -2.05 0.00 0.00 46.19 44.46 1sjd s LEU 31 CO 0.07 -0.70 -0.08 -0.22 -0.55 0.00 0.00 176.35 174.87 1sjd s LEU 32 N -2.97 2.80 0.10 1.48 0.20 -1.26 -0.50 118.68 118.54 1sjd s LEU 32 Ca 0.14 -0.38 0.10 0.00 0.69 0.00 0.00 54.13 54.68 1sjd s LEU 32 Cb 0.07 -1.68 -0.04 0.00 -0.43 0.00 0.00 46.19 44.11 1sjd s LEU 32 CO -0.05 0.04 -0.25 -0.76 -0.29 0.00 0.00 176.35 175.04 1sjd s LEU 33 N 1.10 2.35 -0.02 -0.68 1.43 -0.24 -0.54 118.68 122.08 1sjd s LEU 33 Ca 0.01 -0.67 0.06 0.00 -1.03 0.00 0.00 54.13 52.49 1sjd s LEU 33 Cb -0.15 -1.29 -0.01 0.00 0.03 0.00 0.00 46.19 44.77 1sjd s LEU 33 CO -0.02 0.20 -0.19 -0.76 0.23 0.00 0.00 176.35 175.82 1sjd s LEU 34 N -1.85 2.02 -0.32 1.79 1.43 0.86 -1.03 118.68 121.58 1sjd s LEU 34 Ca 0.14 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1sjd s LEU 34 Cb -0.10 -0.97 0.08 0.00 0.03 0.00 0.00 46.19 45.22 1sjd s LEU 34 CO 0.06 0.22 0.03 -0.60 0.23 0.00 0.00 176.35 176.28 1sjd s ARG 35 N -0.35 2.08 0.13 1.70 3.52 -0.13 -1.15 118.95 124.75 1sjd s ARG 35 Ca 0.05 -1.54 -0.24 0.00 -0.13 0.00 0.00 55.73 53.87 1sjd s ARG 35 Cb -0.08 -3.20 -0.07 0.00 -1.56 0.00 0.00 34.95 30.04 1sjd s ARG 35 CO -0.00 -0.77 0.74 0.00 -0.81 0.00 0.00 175.30 174.46 1sjd s ALA 36 N 1.11 3.45 -0.20 6.12 0.00 0.27 -1.41 121.76 131.10 1sjd s ALA 36 Ca 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 51.96 52.25 1sjd s ALA 36 Cb -0.20 -2.92 0.01 0.00 0.00 0.00 0.00 23.12 20.02 1sjd s ALA 36 CO -0.04 0.26 -0.14 0.08 0.00 0.00 0.00 175.76 175.92 1sjd s VAL 37 N -0.91 2.52 0.15 0.00 1.01 0.99 -1.51 120.40 122.65 1sjd s VAL 37 Ca 0.35 -0.82 0.10 0.00 0.00 0.00 0.00 61.98 61.60 1sjd s VAL 37 Cb -0.22 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1sjd s VAL 37 CO 0.24 0.47 -0.17 0.42 0.00 0.00 0.00 175.10 176.06 1sjd s THR 38 N 1.35 2.81 0.50 3.92 -4.23 0.11 0.69 115.64 120.79 1sjd s THR 38 Ca 0.05 -1.68 0.30 0.00 -1.18 0.00 0.00 61.69 59.18 1sjd s THR 38 Cb -0.14 -2.33 0.49 0.00 1.34 0.00 0.00 72.50 71.86 1sjd s THR 38 CO -0.09 -0.01 1.82 1.55 -0.54 0.00 0.00 174.62 177.35 1sjd h PRO 39 N 3.37 0.10 0.19 3.99 0.13 -1.97 -2.24 132.00 135.57 1sjd h PRO 39 Ca -0.48 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1sjd h PRO 39 Cb 1.19 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1sjd h PRO 39 CO 0.49 0.07 -0.09 0.00 -0.23 0.00 0.00 178.00 178.23 1sjd h ALA 40 N 1.51 -0.33 -1.86 -0.56 0.00 -1.93 -3.50 119.26 112.58 1sjd h ALA 40 Ca 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1sjd h ALA 40 Cb 1.89 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1sjd h ALA 40 CO -0.08 -0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.27 1sjd n GLY 41 N 0.97 1.71 3.68 0.00 0.00 -0.85 -5.14 105.19 105.58 1sjd n GLY 41 Ca -0.03 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 1sjd n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sjd s GLU 42 N -1.83 2.44 -0.04 1.61 2.02 -1.26 0.07 118.70 121.72 1sjd s GLU 42 Ca 0.00 -1.28 -0.06 0.00 0.02 0.00 0.00 54.97 53.65 1sjd s GLU 42 Cb 0.00 -2.28 0.01 0.00 0.10 0.00 0.00 34.13 31.96 1sjd s GLU 42 CO 0.00 0.39 0.15 0.20 0.02 0.00 0.00 175.26 176.03 1sjd s GLY 43 N -3.54 -0.06 -0.04 -1.39 0.00 -0.57 -4.21 107.32 97.51 1sjd s GLY 43 Ca 0.31 0.24 0.01 0.00 0.00 0.00 0.00 44.72 45.28 1sjd s GLY 43 CO 0.21 0.15 -0.02 -0.98 0.00 0.00 0.00 173.10 172.46 1sjd s TRP 44 N -0.45 3.05 0.04 1.90 0.52 -1.26 0.94 118.94 123.68 1sjd s TRP 44 Ca -0.05 0.09 0.01 0.00 0.02 0.00 0.00 56.10 56.16 1sjd s TRP 44 Cb -0.04 -1.70 -0.02 0.00 -1.15 0.00 0.00 33.47 30.56 1sjd s TRP 44 CO 0.01 0.43 -0.06 0.20 0.02 0.00 0.00 176.95 177.55 1sjd s GLY 45 N -1.20 0.41 -0.04 0.98 0.00 -0.30 -3.42 107.32 103.75 1sjd s GLY 45 Ca 0.16 -0.74 0.04 0.00 0.00 0.00 0.00 44.72 44.18 1sjd s GLY 45 CO 0.06 -0.80 -0.14 1.85 0.00 0.00 0.00 173.10 174.06 1sjd s GLU 46 N -1.72 1.52 0.00 2.90 2.12 -1.26 -0.09 118.70 122.17 1sjd s GLU 46 Ca -0.11 -0.51 -0.14 0.00 0.36 0.00 0.00 54.97 54.58 1sjd s GLU 46 Cb -0.09 -1.35 -0.06 0.00 0.26 0.00 0.00 34.13 32.90 1sjd s GLU 46 CO -0.01 0.20 0.39 0.00 -0.54 0.00 0.00 175.26 175.30 1sjd n VAL 48 N 1.71 0.10 -1.43 0.00 0.24 -1.26 -4.38 118.33 113.31 1sjd n VAL 48 Ca -0.14 -0.37 -0.33 0.00 -2.04 0.00 0.00 64.34 61.46 1sjd n VAL 48 Cb 0.53 0.69 0.09 0.00 -1.47 0.00 0.00 33.84 33.67 1sjd n VAL 48 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1sjd s THR 49 N -1.90 2.59 0.27 3.34 -4.23 -1.26 -5.00 115.64 109.45 1sjd s THR 49 Ca 0.35 0.27 0.03 0.00 -1.18 0.00 0.00 61.69 61.15 1sjd s THR 49 Cb 0.20 -2.76 0.03 0.00 1.34 0.00 0.00 72.50 71.30 1sjd s THR 49 CO 0.31 -0.18 0.22 0.23 -0.54 0.00 0.00 174.62 174.66 1sjd n MET 50 N -2.84 1.07 -0.02 3.99 0.00 -1.26 -4.65 117.12 113.41 1sjd n MET 50 Ca 0.12 -1.63 -0.09 0.00 0.00 0.00 0.00 57.70 56.10 1sjd n MET 50 Cb 0.51 0.14 -0.03 0.00 0.00 0.00 0.00 33.22 33.84 1sjd n MET 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1sjd h ALA 51 N 0.66 0.05 -2.19 3.04 0.00 -1.94 0.76 119.26 119.65 1sjd h ALA 51 Ca -0.16 0.06 -0.61 0.00 0.00 0.00 0.00 54.91 54.20 1sjd h ALA 51 Cb 0.61 0.20 -0.14 0.00 0.00 0.00 0.00 17.79 18.46 1sjd h ALA 51 CO 0.25 -0.53 -0.75 0.20 0.00 0.00 0.00 179.25 178.43 1sjd s GLY 52 N -2.58 1.90 -1.32 0.00 0.00 -1.26 -3.79 107.32 100.26 1sjd s GLY 52 Ca -0.14 -1.88 -0.17 0.00 0.00 0.00 0.00 44.72 42.54 1sjd s GLY 52 CO 0.68 -1.96 2.04 -1.55 0.00 0.00 0.00 173.10 172.30 1sjd n PRO 53 N -0.65 2.72 -0.08 2.90 -0.04 -1.26 -4.60 135.00 134.00 1sjd n PRO 53 Ca -0.05 -2.70 -0.08 0.00 -0.04 0.00 0.00 63.50 60.62 1sjd n PRO 53 Cb 0.60 -3.33 -0.12 0.00 -0.04 0.00 0.00 33.50 30.61 1sjd n PRO 53 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1sjd n LEU 54 N 7.41 0.36 -0.02 1.53 4.77 -1.26 -4.57 117.00 125.21 1sjd n LEU 54 Ca 0.50 -0.01 -0.21 0.00 -0.03 0.00 0.00 56.01 56.26 1sjd n LEU 54 Cb 0.42 0.25 -0.13 0.00 -2.33 0.00 0.00 43.42 41.62 1sjd n LEU 54 CO 0.87 0.43 -0.89 0.00 -1.33 0.00 0.00 177.39 176.46 1sjd n TYR 55 N -2.63 1.04 -4.08 -1.77 4.19 -1.26 -4.92 117.16 107.73 1sjd n TYR 55 Ca -0.26 0.23 -0.11 0.00 3.31 0.00 0.00 57.90 61.07 1sjd n TYR 55 Cb 0.98 -1.13 -0.07 0.00 0.49 0.00 0.00 39.34 39.61 1sjd n TYR 55 CO 0.00 0.00 0.00 -1.54 0.91 0.00 0.00 176.86 176.23 1sjd s SER 56 N -6.96 0.14 0.22 2.98 1.04 -1.26 -5.04 113.70 104.81 1sjd s SER 56 Ca -0.25 -1.16 0.19 0.00 0.48 0.00 0.00 55.95 55.21 1sjd s SER 56 Cb 0.07 0.53 0.89 0.00 0.10 0.00 0.00 66.02 67.61 1sjd s SER 56 CO 0.73 -1.06 1.58 -1.54 0.98 0.00 0.00 173.24 173.93 1sjd n SER 57 N -0.49 0.47 -4.81 7.02 3.41 -1.26 -4.36 113.62 113.60 1sjd n SER 57 Ca 0.00 0.66 -0.37 0.00 -0.26 0.00 0.00 58.87 58.90 1sjd n SER 57 Cb 0.63 -0.74 -0.06 0.00 -0.26 0.00 0.00 64.21 63.78 1sjd n SER 57 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1sjd s GLU 58 N -3.32 4.25 0.12 4.33 2.02 -1.26 -4.74 118.70 120.10 1sjd s GLU 58 Ca 0.02 0.83 -0.10 0.00 0.02 0.00 0.00 54.97 55.74 1sjd s GLU 58 Cb 0.07 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.30 1sjd s GLU 58 CO 0.27 0.48 0.26 1.52 0.02 0.00 0.00 175.26 177.81 1sjd s TYR 59 N -1.39 0.18 0.16 1.61 1.13 -1.26 -4.31 117.35 113.46 1sjd s TYR 59 Ca 0.39 -0.57 -0.31 0.00 -1.41 0.00 0.00 57.07 55.18 1sjd s TYR 59 Cb -0.18 0.00 -0.06 0.00 -1.10 0.00 0.00 41.96 40.63 1sjd s TYR 59 CO 0.21 -0.64 1.55 -0.91 -2.51 0.00 0.00 175.55 173.25 1sjd h ASN 60 N 2.60 -1.99 -0.90 -0.18 2.35 0.47 0.23 115.58 118.15 1sjd h ASN 60 Ca -0.33 0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1sjd h ASN 60 Cb 1.22 0.87 -0.04 0.00 0.05 0.00 0.00 38.32 40.41 1sjd h ASN 60 CO 0.51 -0.30 0.58 0.44 -1.65 0.00 0.00 177.43 177.02 1sjd h ASP 61 N -0.14 1.05 0.13 5.81 3.32 -1.85 -0.81 116.42 123.94 1sjd h ASP 61 Ca 0.14 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1sjd h ASP 61 Cb 0.49 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1sjd h ASP 61 CO -0.82 0.77 -0.06 1.23 -1.72 0.00 0.00 179.24 178.64 1sjd h GLY 62 N 1.23 -0.18 0.73 2.75 0.00 -1.37 -0.47 103.07 105.77 1sjd h GLY 62 Ca 0.33 0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.76 1sjd h GLY 62 CO -0.07 -0.07 0.13 0.00 0.00 0.00 0.00 176.54 176.53 1sjd h ALA 63 N 0.60 0.40 -0.11 3.60 0.00 -0.38 -0.07 119.26 123.30 1sjd h ALA 63 Ca -0.02 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1sjd h ALA 63 Cb 0.21 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1sjd h ALA 63 CO 0.03 -0.26 -0.19 1.49 0.00 0.00 0.00 179.25 180.32 1sjd h GLU 64 N 0.28 -0.23 -0.78 0.00 4.81 -1.02 -0.45 114.58 117.18 1sjd h GLU 64 Ca 0.15 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1sjd h GLU 64 Cb 0.11 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 1sjd h GLU 64 CO -0.15 -0.16 0.49 1.25 -0.73 0.00 0.00 179.01 179.72 1sjd h HIS 65 N -0.24 0.91 -0.36 0.92 2.76 -0.56 0.06 115.15 118.64 1sjd h HIS 65 Ca 0.09 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 58.13 1sjd h HIS 65 Cb 0.38 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 1sjd h HIS 65 CO -0.29 0.51 -0.41 -0.24 -1.30 0.00 0.00 177.93 176.20 1sjd h VAL 66 N 0.94 1.27 -0.32 5.26 3.04 -0.49 0.17 116.25 126.12 1sjd h VAL 66 Ca 0.32 -1.59 0.01 0.00 -1.01 0.00 0.00 66.70 64.43 1sjd h VAL 66 Cb 0.05 1.43 -0.02 0.00 -2.01 0.00 0.00 31.29 30.74 1sjd h VAL 66 CO -0.13 0.53 0.20 -0.07 -1.01 0.00 0.00 177.57 177.09 1sjd h LEU 67 N 0.72 0.34 -0.11 3.16 3.38 -0.88 0.88 115.31 122.80 1sjd h LEU 67 Ca 0.05 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1sjd h LEU 67 Cb 1.00 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1sjd h LEU 67 CO 0.10 0.25 0.02 -0.09 0.09 0.00 0.00 178.44 178.81 1sjd h ARG 68 N 0.42 0.19 0.00 1.13 2.43 -0.80 0.46 114.38 118.20 1sjd h ARG 68 Ca 0.12 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1sjd h ARG 68 Cb -0.03 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1sjd h ARG 68 CO -0.04 0.37 -1.19 0.72 -1.51 0.00 0.00 179.97 178.32 1sjd n HIS 69 N -4.85 0.70 0.02 2.20 8.25 0.57 -4.47 115.22 117.65 1sjd n HIS 69 Ca -0.06 0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1sjd n HIS 69 Cb 0.16 -0.81 0.00 0.00 1.12 0.00 0.00 29.99 30.46 1sjd n HIS 69 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1sjd n TYR 70 N -2.51 -0.23 -0.04 4.41 4.02 0.28 -4.79 117.16 118.30 1sjd n TYR 70 Ca -0.01 0.04 -0.15 0.00 -0.01 0.00 0.00 57.90 57.78 1sjd n TYR 70 Cb 0.54 0.22 -0.09 0.00 -0.02 0.00 0.00 39.34 40.00 1sjd n TYR 70 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1sjd h LEU 71 N 0.00 0.45 0.30 7.72 3.38 -0.75 -2.50 115.31 123.91 1sjd h LEU 71 Ca 0.00 -0.61 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 1sjd h LEU 71 Cb 0.46 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1sjd h LEU 71 CO 0.00 0.98 -0.14 0.40 0.09 0.00 0.00 178.44 179.77 1sjd h ILE 72 N -0.07 0.73 -0.81 1.22 2.04 -0.30 -2.57 117.51 117.75 1sjd h ILE 72 Ca -0.01 -0.23 0.17 0.00 1.00 0.00 0.00 64.86 65.79 1sjd h ILE 72 Cb 0.94 0.86 -0.11 0.00 -0.74 0.00 0.00 36.82 37.77 1sjd h ILE 72 CO 0.07 0.05 0.31 -0.65 0.00 0.00 0.00 178.15 177.93 1sjd h PRO 73 N -0.52 0.39 -0.56 2.37 0.11 -1.72 0.15 132.00 132.21 1sjd h PRO 73 Ca -0.04 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 1sjd h PRO 73 Cb 0.39 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.38 1sjd h PRO 73 CO 0.07 0.26 0.31 0.00 -0.21 0.00 0.00 178.00 178.42 1sjd h ALA 74 N 1.62 1.48 -0.08 -0.75 0.00 -1.21 -1.72 119.26 118.61 1sjd h ALA 74 Ca 0.47 -0.09 -0.24 0.00 0.00 0.00 0.00 54.91 55.05 1sjd h ALA 74 Cb 0.80 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1sjd h ALA 74 CO -0.47 0.43 -0.90 -0.07 0.00 0.00 0.00 179.25 178.24 1sjd h LEU 75 N 0.78 0.90 -1.73 0.00 3.38 -0.38 -2.97 115.31 115.28 1sjd h LEU 75 Ca 0.20 -0.65 0.06 0.00 0.09 0.00 0.00 57.88 57.58 1sjd h LEU 75 Cb 0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1sjd h LEU 75 CO -0.03 1.45 0.29 -0.07 0.09 0.00 0.00 178.44 180.17 1sjd h LEU 76 N 0.46 0.29 -1.00 1.67 3.38 -0.66 -1.02 115.31 118.43 1sjd h LEU 76 Ca -0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1sjd h LEU 76 Cb 1.54 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 1sjd h LEU 76 CO 0.18 0.19 -0.36 0.00 0.09 0.00 0.00 178.44 178.54 1sjd h ALA 77 N 1.77 1.02 -2.68 1.53 0.00 -1.20 -3.45 119.26 116.26 1sjd h ALA 77 Ca 0.19 -0.33 -0.52 0.00 0.00 0.00 0.00 54.91 54.25 1sjd h ALA 77 Cb 0.32 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.08 1sjd h ALA 77 CO -0.04 0.45 0.58 0.00 0.00 0.00 0.00 179.25 180.23 1sjd s ALA 78 N -3.66 3.46 0.01 0.00 0.00 -0.39 -4.97 121.76 116.21 1sjd s ALA 78 Ca -0.00 0.99 -0.07 0.00 0.00 0.00 0.00 51.96 52.88 1sjd s ALA 78 Cb 0.11 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1sjd s ALA 78 CO 0.68 -0.41 1.11 1.49 0.00 0.00 0.00 175.76 178.63 1sjd h GLU 79 N 5.13 -0.21 -6.04 0.00 4.81 -1.86 -3.43 114.58 112.98 1sjd h GLU 79 Ca -0.45 0.01 -0.68 0.00 -0.13 0.00 0.00 59.36 58.12 1sjd h GLU 79 Cb 1.21 0.05 -0.23 0.00 0.63 0.00 0.00 28.75 30.41 1sjd h GLU 79 CO 0.74 -0.14 -0.75 0.34 -0.73 0.00 0.00 179.01 178.47 1sjd s ASP 80 N -2.52 4.18 -0.05 1.04 2.15 -1.26 -4.73 116.67 115.48 1sjd s ASP 80 Ca -0.04 -0.19 0.05 0.00 0.43 0.00 0.00 52.55 52.81 1sjd s ASP 80 Cb 0.01 -1.11 -0.02 0.00 -0.30 0.00 0.00 42.92 41.50 1sjd s ASP 80 CO 0.11 0.30 -0.22 -0.63 -0.17 0.00 0.00 175.17 174.57 1sjd s ILE 81 N -0.48 2.39 0.01 4.11 -1.09 -0.27 -4.97 121.20 120.91 1sjd s ILE 81 Ca 0.06 -0.96 0.02 0.00 -2.23 0.00 0.00 60.65 57.54 1sjd s ILE 81 Cb -0.12 -1.89 -0.01 0.00 -1.58 0.00 0.00 42.46 38.86 1sjd s ILE 81 CO 0.02 0.57 -0.06 -0.89 -1.23 0.00 0.00 174.94 173.36 1sjd s THR 82 N -0.38 0.42 0.29 2.92 2.01 -1.26 -2.45 115.64 117.19 1sjd s THR 82 Ca 0.03 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.52 1sjd s THR 82 Cb -0.12 -0.42 0.28 0.00 0.01 0.00 0.00 72.50 72.25 1sjd s THR 82 CO 0.02 -0.10 1.77 0.00 -0.69 0.00 0.00 174.62 175.62 1sjd h ALA 83 N 5.41 1.53 -0.11 7.40 0.00 -1.91 0.54 119.26 132.13 1sjd h ALA 83 Ca -0.31 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1sjd h ALA 83 Cb 1.20 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1sjd h ALA 83 CO 0.46 -0.06 -0.16 0.00 0.00 0.00 0.00 179.25 179.49 1sjd h ALA 84 N 1.62 1.54 0.00 0.00 0.00 -1.96 -2.64 119.26 117.82 1sjd h ALA 84 Ca 0.54 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1sjd h ALA 84 Cb 0.81 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1sjd h ALA 84 CO -0.38 0.33 0.00 0.87 0.00 0.00 0.00 179.25 180.07 1sjd h LYS 85 N 0.16 0.00 -0.84 0.00 1.57 -0.32 -3.26 116.57 113.88 1sjd h LYS 85 Ca 0.03 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1sjd h LYS 85 Cb 0.38 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.63 1sjd h LYS 85 CO 0.02 0.00 0.52 0.28 -0.57 0.00 0.00 179.45 179.70 1sjd h VAL 86 N 0.00 1.04 0.42 0.50 2.07 -1.06 -1.14 116.25 118.08 1sjd h VAL 86 Ca 0.00 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1sjd h VAL 86 Cb 0.65 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1sjd h VAL 86 CO 0.00 0.17 -0.44 0.74 0.02 0.00 0.00 177.57 178.06 1sjd h THR 87 N 0.95 0.13 -0.88 2.57 2.02 -1.73 0.16 112.91 116.12 1sjd h THR 87 Ca 0.37 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.55 1sjd h THR 87 Cb 0.17 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.66 1sjd h THR 87 CO -0.17 0.00 0.58 -0.65 0.37 0.00 0.00 175.52 175.65 1sjd h PRO 88 N -0.88 1.16 -0.17 6.66 0.11 -1.74 0.95 132.00 138.08 1sjd h PRO 88 Ca -0.04 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.94 1sjd h PRO 88 Cb 0.78 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 1sjd h PRO 88 CO -0.07 0.77 -0.14 -0.07 -0.21 0.00 0.00 178.00 178.27 1sjd h LEU 89 N 1.19 0.26 -2.27 2.35 3.38 -0.88 -2.91 115.31 116.43 1sjd h LEU 89 Ca 0.32 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1sjd h LEU 89 Cb -0.14 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1sjd h LEU 89 CO -0.07 0.43 0.00 0.18 0.09 0.00 0.00 178.44 179.07 1sjd n LEU 90 N -4.25 3.01 -0.14 1.67 4.77 0.54 -4.62 117.00 117.98 1sjd n LEU 90 Ca -0.00 -1.51 0.08 0.00 -0.03 0.00 0.00 56.01 54.54 1sjd n LEU 90 Cb 0.28 -0.19 0.40 0.00 -2.33 0.00 0.00 43.42 41.58 1sjd n LEU 90 CO 0.38 0.66 1.20 0.00 -1.33 0.00 0.00 177.39 178.31 1sjd h ALA 91 N 3.40 1.79 -0.04 -1.18 0.00 -0.66 -1.90 119.26 120.68 1sjd h ALA 91 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1sjd h ALA 91 Cb 0.81 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1sjd h ALA 91 CO 0.00 0.10 0.07 1.57 0.00 0.00 0.00 179.25 180.99 1sjd h LYS 92 N 0.65 0.00 -5.38 0.00 2.10 -1.82 -3.39 116.57 108.73 1sjd h LYS 92 Ca 0.29 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 58.32 1sjd h LYS 92 Cb 0.32 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 31.52 1sjd h LYS 92 CO -0.09 0.00 0.04 -0.06 -2.00 0.00 0.00 179.45 177.34 1sjd s PHE 93 N -4.40 3.22 0.13 0.07 0.40 -0.71 -5.04 117.98 111.65 1sjd s PHE 93 Ca -0.05 0.51 -0.30 0.00 -0.60 0.00 0.00 56.93 56.49 1sjd s PHE 93 Cb 0.14 -2.87 -0.07 0.00 0.51 0.00 0.00 43.02 40.73 1sjd s PHE 93 CO 0.47 -0.42 1.13 0.15 0.70 0.00 0.00 175.22 177.26 1sjd s LYS 94 N 2.45 4.53 4.55 0.44 -0.14 -1.26 -4.87 119.74 125.43 1sjd s LYS 94 Ca 0.22 1.73 0.00 0.00 -1.36 0.00 0.00 55.97 56.56 1sjd s LYS 94 Cb -0.15 -3.31 0.00 0.00 -1.68 0.00 0.00 37.83 32.69 1sjd s LYS 94 CO 0.11 -0.06 0.00 0.41 -0.76 0.00 0.00 175.35 175.05 1sjd n GLY 95 N 2.52 1.26 3.58 -3.33 0.00 -1.26 -4.96 105.19 103.00 1sjd n GLY 95 Ca 0.05 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 1sjd n GLY 95 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1sjd n HIS 96 N 9.12 -2.28 -0.20 1.61 8.25 -1.26 -4.91 115.22 125.55 1sjd n HIS 96 Ca 0.00 0.78 -0.00 0.00 -0.26 0.00 0.00 57.72 58.24 1sjd n HIS 96 Cb 0.00 -4.14 0.10 0.00 1.12 0.00 0.00 29.99 27.07 1sjd n HIS 96 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sjd h ARG 97 N -1.90 0.39 -0.29 -0.41 3.08 -1.89 -0.24 114.38 113.12 1sjd h ARG 97 Ca -0.54 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.48 1sjd h ARG 97 Cb 1.36 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 1sjd h ARG 97 CO 0.61 0.26 0.16 0.52 -1.07 0.00 0.00 179.97 180.44 1sjd h MET 98 N 0.41 0.42 0.10 0.04 2.86 -1.80 0.50 114.93 117.44 1sjd h MET 98 Ca 0.30 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1sjd h MET 98 Cb 0.36 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1sjd h MET 98 CO -0.30 0.37 -0.10 0.00 1.06 0.00 0.00 176.91 177.94 1sjd h ALA 99 N 1.02 -0.19 -0.77 6.32 0.00 -1.80 -0.62 119.26 123.23 1sjd h ALA 99 Ca 0.10 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1sjd h ALA 99 Cb 0.08 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1sjd h ALA 99 CO -0.02 -0.62 0.47 0.87 0.00 0.00 0.00 179.25 179.95 1sjd h LYS 100 N -0.22 0.85 -0.63 0.00 1.57 -0.77 -1.97 116.57 115.41 1sjd h LYS 100 Ca 0.01 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1sjd h LYS 100 Cb 0.21 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1sjd h LYS 100 CO -0.03 0.56 0.39 0.78 -0.57 0.00 0.00 179.45 180.58 1sjd h GLY 101 N 0.88 0.90 1.00 3.86 0.00 0.43 -1.00 103.07 109.13 1sjd h GLY 101 Ca 0.33 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1sjd h GLY 101 CO -0.15 0.25 0.29 0.00 0.00 0.00 0.00 176.54 176.93 1sjd h ALA 102 N 1.27 0.79 -0.39 3.60 0.00 -0.64 -0.61 119.26 123.28 1sjd h ALA 102 Ca 0.25 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1sjd h ALA 102 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1sjd h ALA 102 CO -0.10 0.36 -0.10 1.25 0.00 0.00 0.00 179.25 180.67 1sjd h LEU 103 N 0.84 0.76 -1.26 0.00 5.85 -1.01 -2.24 115.31 118.26 1sjd h LEU 103 Ca 0.21 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 1sjd h LEU 103 Cb 0.13 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1sjd h LEU 103 CO -0.03 0.95 0.06 -0.08 -0.34 0.00 0.00 178.44 179.01 1sjd h GLU 104 N 0.56 0.57 -0.19 1.25 4.81 -1.03 -1.09 114.58 119.47 1sjd h GLU 104 Ca 0.10 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1sjd h GLU 104 Cb 0.62 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1sjd h GLU 104 CO 0.04 0.55 0.06 1.98 -0.73 0.00 0.00 179.01 180.90 1sjd h MET 105 N 0.55 0.29 0.08 1.92 4.05 -0.86 0.18 114.93 121.15 1sjd h MET 105 Ca 0.13 -0.06 0.02 0.00 -0.28 0.00 0.00 59.70 59.50 1sjd h MET 105 Cb 0.26 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.99 1sjd h MET 105 CO 0.00 0.40 -0.19 0.00 0.23 0.00 0.00 176.91 177.35 1sjd h ALA 106 N 0.88 -0.31 -0.68 0.39 0.00 -1.03 0.18 119.26 118.70 1sjd h ALA 106 Ca 0.06 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1sjd h ALA 106 Cb 0.23 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1sjd h ALA 106 CO -0.00 -0.71 0.34 0.28 0.00 0.00 0.00 179.25 179.15 1sjd h VAL 107 N -0.36 0.87 -0.48 0.00 2.07 -1.12 -2.08 116.25 115.15 1sjd h VAL 107 Ca 0.03 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 1sjd h VAL 107 Cb 0.39 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1sjd h VAL 107 CO -0.12 0.11 -0.16 0.25 0.02 0.00 0.00 177.57 177.66 1sjd h LEU 108 N 0.59 0.97 -0.52 2.57 5.85 -0.05 0.14 115.31 124.86 1sjd h LEU 108 Ca 0.33 -0.38 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1sjd h LEU 108 Cb 0.32 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1sjd h LEU 108 CO -0.25 1.13 0.29 -0.78 -0.34 0.00 0.00 178.44 178.49 1sjd h ASP 109 N 0.81 0.45 -0.37 1.25 3.58 -0.06 0.23 116.42 122.31 1sjd h ASP 109 Ca 0.12 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.54 1sjd h ASP 109 Cb 0.73 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 1sjd h ASP 109 CO 0.06 0.31 0.04 0.00 -2.88 0.00 0.00 179.24 176.77 1sjd h ALA 110 N 1.26 0.49 -0.60 -0.78 0.00 -1.22 -0.95 119.26 117.45 1sjd h ALA 110 Ca 0.22 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1sjd h ALA 110 Cb 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1sjd h ALA 110 CO -0.13 0.21 0.05 1.49 0.00 0.00 0.00 179.25 180.87 1sjd h GLU 111 N 0.45 1.01 -0.06 0.00 4.81 -0.39 -2.53 114.58 117.87 1sjd h GLU 111 Ca 0.11 -0.28 -0.12 0.00 -0.13 0.00 0.00 59.36 58.94 1sjd h GLU 111 Cb 0.39 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.66 1sjd h GLU 111 CO 0.01 0.96 -0.43 -0.07 -0.73 0.00 0.00 179.01 178.75 1sjd h LEU 112 N 0.94 0.49 -1.67 1.64 3.38 -0.92 -2.82 115.31 116.35 1sjd h LEU 112 Ca 0.18 -0.67 0.20 0.00 0.09 0.00 0.00 57.88 57.67 1sjd h LEU 112 Cb 0.47 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1sjd h LEU 112 CO 0.02 1.08 0.57 0.03 0.09 0.00 0.00 178.44 180.23 1sjd h ARG 113 N -0.08 0.28 0.00 1.13 3.08 -1.11 0.38 114.38 118.06 1sjd h ARG 113 Ca -0.04 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 1sjd h ARG 113 Cb 1.09 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1sjd h ARG 113 CO 0.09 0.18 -0.56 0.00 -1.07 0.00 0.00 179.97 178.61 1sjd h ALA 114 N 1.62 0.98 -0.41 0.04 0.00 -1.37 -2.28 119.26 117.85 1sjd h ALA 114 Ca 0.42 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1sjd h ALA 114 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1sjd h ALA 114 CO -0.11 0.70 0.00 0.72 0.00 0.00 0.00 179.25 180.55 1sjd n HIS 115 N -3.73 0.53 -3.71 0.00 8.25 1.00 -4.92 115.22 112.63 1sjd n HIS 115 Ca -0.01 -0.27 -0.23 0.00 -0.26 0.00 0.00 57.72 56.95 1sjd n HIS 115 Cb 0.59 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.73 1sjd n HIS 115 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1sjd n GLU 116 N 1.22 -3.86 -4.52 -0.41 1.02 0.72 -4.99 120.64 109.82 1sjd n GLU 116 Ca 0.19 0.57 -0.22 0.00 -0.02 0.00 0.00 57.16 57.68 1sjd n GLU 116 Cb 0.53 -4.93 -0.14 0.00 -0.02 0.00 0.00 31.44 26.88 1sjd n GLU 116 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1sjd s ARG 117 N -5.98 1.13 0.55 3.49 3.52 0.74 -4.79 118.95 117.60 1sjd s ARG 117 Ca 0.11 -0.74 -0.07 0.00 -0.13 0.00 0.00 55.73 54.89 1sjd s ARG 117 Cb -0.03 -1.15 -0.03 0.00 -1.56 0.00 0.00 34.95 32.18 1sjd s ARG 117 CO 0.83 0.30 0.89 -1.54 -0.81 0.00 0.00 175.30 174.97 1sjd s SER 118 N -0.93 6.12 0.14 -2.12 1.04 -1.25 0.21 113.70 116.91 1sjd s SER 118 Ca 0.04 1.06 -0.17 0.00 0.48 0.00 0.00 55.95 57.36 1sjd s SER 118 Cb -0.08 -2.23 -0.01 0.00 0.10 0.00 0.00 66.02 63.81 1sjd s SER 118 CO 0.01 -0.77 1.79 -0.26 0.98 0.00 0.00 173.24 174.99 1sjd h PHE 119 N -0.04 0.36 -0.64 5.02 -1.00 -1.29 -2.17 116.94 117.18 1sjd h PHE 119 Ca -0.46 0.01 0.14 0.00 2.81 0.00 0.00 57.97 60.47 1sjd h PHE 119 Cb 1.21 -0.12 -0.11 0.00 3.61 0.00 0.00 35.95 40.55 1sjd h PHE 119 CO 0.59 0.22 0.05 0.00 -1.61 0.00 0.00 178.31 177.55 1sjd h ALA 120 N 1.13 0.69 0.06 2.45 0.00 -1.86 0.26 119.26 121.99 1sjd h ALA 120 Ca 0.12 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1sjd h ALA 120 Cb -0.02 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1sjd h ALA 120 CO -0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 179.25 178.80 1sjd h ALA 121 N 1.57 -0.08 -0.83 0.00 0.00 -1.83 -1.49 119.26 116.61 1sjd h ALA 121 Ca 0.34 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.25 1sjd h ALA 121 Cb 0.56 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1sjd h ALA 121 CO -0.52 -0.50 0.51 1.49 0.00 0.00 0.00 179.25 180.23 1sjd h GLU 122 N -0.17 0.93 0.00 0.00 4.57 -0.74 -2.45 114.58 116.73 1sjd h GLU 122 Ca -0.01 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1sjd h GLU 122 Cb 0.14 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1sjd h GLU 122 CO 0.01 0.62 0.00 -0.07 -1.18 0.00 0.00 179.01 178.39 1sjd h LEU 123 N 0.96 0.00 0.00 1.64 3.38 -0.29 -3.47 115.31 117.53 1sjd h LEU 123 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1sjd h LEU 123 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1sjd h LEU 123 CO -0.15 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.99 1sjd n GLY 124 N 0.39 1.64 3.57 0.83 0.00 -0.78 -5.00 105.19 105.84 1sjd n GLY 124 Ca 0.02 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 1sjd n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sjd n SER 125 N 0.23 0.54 0.00 1.61 2.88 -0.63 -4.60 113.62 113.65 1sjd n SER 125 Ca 0.00 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 1sjd n SER 125 Cb 0.05 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.20 1sjd n SER 125 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1sjd n VAL 126 N -0.99 0.32 -3.87 2.46 0.24 -0.67 -4.97 118.33 110.85 1sjd n VAL 126 Ca 0.11 -0.58 -0.09 0.00 -2.04 0.00 0.00 64.34 61.73 1sjd n VAL 126 Cb 0.42 0.94 -0.06 0.00 -1.47 0.00 0.00 33.84 33.67 1sjd n VAL 126 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sjd s ARG 127 N -0.32 1.25 0.00 7.34 1.70 -1.24 -5.06 118.95 122.63 1sjd s ARG 127 Ca 0.00 -1.04 0.19 0.00 -0.47 0.00 0.00 55.73 54.41 1sjd s ARG 127 Cb 0.00 0.44 0.07 0.00 -0.57 0.00 0.00 34.95 34.89 1sjd s ARG 127 CO 0.00 -0.49 1.03 -0.25 -1.08 0.00 0.00 175.30 174.51 1sjd n ASP 128 N -0.27 2.18 -3.62 -2.89 8.00 -1.26 -4.90 116.55 113.80 1sjd n ASP 128 Ca -0.08 -1.59 -0.10 0.00 0.71 0.00 0.00 54.79 53.72 1sjd n ASP 128 Cb 0.63 0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.95 1sjd n ASP 128 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1sjd s SER 129 N -1.91 -0.34 -0.00 -2.24 1.04 -1.26 -0.38 113.70 108.61 1sjd s SER 129 Ca 0.19 -0.30 -0.03 0.00 0.48 0.00 0.00 55.95 56.29 1sjd s SER 129 Cb 0.16 0.56 -0.00 0.00 0.10 0.00 0.00 66.02 66.84 1sjd s SER 129 CO 0.37 -0.99 0.05 0.68 0.98 0.00 0.00 173.24 174.34 1sjd s VAL 130 N -3.82 0.06 0.20 5.02 -7.23 -0.10 -4.92 120.40 109.60 1sjd s VAL 130 Ca 0.05 -0.47 -0.30 0.00 -1.81 0.00 0.00 61.98 59.45 1sjd s VAL 130 Cb -0.00 -0.24 -0.08 0.00 0.56 0.00 0.00 36.38 36.61 1sjd s VAL 130 CO -0.08 -0.26 1.01 -2.16 -0.31 0.00 0.00 175.10 173.30 1sjd s PRO 131 N -0.82 4.72 -0.09 4.82 0.04 -1.26 -0.24 135.00 142.18 1sjd s PRO 131 Ca -0.09 1.60 0.03 0.00 0.04 0.00 0.00 61.00 62.58 1sjd s PRO 131 Cb -0.05 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 1sjd s PRO 131 CO 0.00 0.29 -0.19 0.00 0.04 0.00 0.00 177.00 177.14 1sjd n GLY 133 N 3.11 2.20 2.97 0.00 0.00 -0.64 -0.73 105.19 112.11 1sjd n GLY 133 Ca -0.18 -2.20 -0.12 0.00 0.00 0.00 0.00 46.02 43.51 1sjd n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjd s VAL 134 N -1.28 0.26 -0.45 1.61 0.11 0.34 -4.07 120.40 116.92 1sjd s VAL 134 Ca 0.31 -0.58 -0.17 0.00 -2.93 0.00 0.00 61.98 58.62 1sjd s VAL 134 Cb -0.02 -0.31 0.04 0.00 -1.53 0.00 0.00 36.38 34.56 1sjd s VAL 134 CO 0.20 -0.21 0.43 -0.55 -3.33 0.00 0.00 175.10 171.64 1sjd s SER 135 N -0.84 6.17 -0.14 3.54 0.15 -1.26 -0.62 113.70 120.70 1sjd s SER 135 Ca -0.07 -0.95 -0.17 0.00 0.70 0.00 0.00 55.95 55.47 1sjd s SER 135 Cb -0.06 -2.21 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 1sjd s SER 135 CO -0.00 -0.63 0.42 -0.69 1.20 0.00 0.00 173.24 173.54 1sjd s VAL 136 N 1.98 5.22 0.90 4.45 1.01 0.22 -4.97 120.40 129.21 1sjd s VAL 136 Ca 0.09 0.82 -0.15 0.00 0.00 0.00 0.00 61.98 62.74 1sjd s VAL 136 Cb -0.20 -3.76 0.21 0.00 0.00 0.00 0.00 36.38 32.63 1sjd s VAL 136 CO 0.11 0.32 1.03 0.61 0.00 0.00 0.00 175.10 177.17 1sjd n GLY 137 N 3.41 -1.94 3.73 4.51 0.00 -1.26 -1.18 105.19 112.45 1sjd n GLY 137 Ca -0.08 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 1sjd n GLY 137 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sjd s ILE 138 N -3.13 4.23 0.48 -0.61 1.01 -0.35 -4.49 121.20 118.34 1sjd s ILE 138 Ca 0.61 1.77 0.08 0.00 0.00 0.00 0.00 60.65 63.12 1sjd s ILE 138 Cb -0.03 -4.13 0.03 0.00 0.01 0.00 0.00 42.46 38.34 1sjd s ILE 138 CO 0.45 0.23 0.60 -0.04 0.00 0.00 0.00 174.94 176.18 1sjd s MET 139 N 0.27 2.57 -0.05 2.79 -1.94 -1.26 -4.62 119.30 117.06 1sjd s MET 139 Ca 0.51 -1.48 0.07 0.00 -1.71 0.00 0.00 55.69 53.09 1sjd s MET 139 Cb -0.26 -2.61 -0.24 0.00 2.01 0.00 0.00 34.83 33.72 1sjd s MET 139 CO 0.31 -0.48 0.65 -0.44 -0.01 0.00 0.00 175.02 175.05 1sjd h ASP 140 N 0.56 0.11 -4.15 3.03 3.32 -1.97 -3.47 116.42 113.85 1sjd h ASP 140 Ca -0.37 -0.23 -0.32 0.00 0.02 0.00 0.00 57.03 56.13 1sjd h ASP 140 Cb 1.28 -0.04 -0.16 0.00 0.22 0.00 0.00 39.33 40.64 1sjd h ASP 140 CO 0.46 1.21 -0.72 0.42 -1.72 0.00 0.00 179.24 178.89 1sjd s THR 141 N -2.60 1.07 -0.02 0.35 -4.23 -1.26 -5.05 115.64 103.91 1sjd s THR 141 Ca -0.08 -1.92 -0.23 0.00 -1.18 0.00 0.00 61.69 58.28 1sjd s THR 141 Cb 0.08 -1.69 -0.15 0.00 1.34 0.00 0.00 72.50 72.07 1sjd s THR 141 CO 0.82 -0.70 1.05 0.40 -0.54 0.00 0.00 174.62 175.65 1sjd h ILE 142 N 3.04 0.64 -0.73 2.99 2.04 -1.99 -0.58 117.51 122.92 1sjd h ILE 142 Ca -0.37 -0.76 0.16 0.00 1.00 0.00 0.00 64.86 64.89 1sjd h ILE 142 Cb 1.19 0.99 -0.13 0.00 -0.74 0.00 0.00 36.82 38.12 1sjd h ILE 142 CO 0.60 0.13 -0.10 -0.65 0.00 0.00 0.00 178.15 178.13 1sjd h PRO 143 N -0.85 0.04 -0.49 2.37 0.11 -1.99 0.81 132.00 132.00 1sjd h PRO 143 Ca -0.04 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.17 1sjd h PRO 143 Cb 0.52 -0.01 -0.10 0.00 0.11 0.00 0.00 31.00 31.52 1sjd h PRO 143 CO 0.07 0.03 -0.20 0.37 -0.21 0.00 0.00 178.00 178.05 1sjd h GLN 144 N 0.04 -0.08 0.43 1.05 4.15 -1.93 -0.77 115.11 117.99 1sjd h GLN 144 Ca 0.37 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.79 1sjd h GLN 144 Cb 0.61 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.30 1sjd h GLN 144 CO -0.71 -0.06 -0.46 1.25 -1.93 0.00 0.00 178.83 176.92 1sjd h LEU 145 N -0.09 -1.29 -0.95 -2.39 5.85 0.21 -2.70 115.31 113.96 1sjd h LEU 145 Ca 0.23 0.11 0.29 0.00 0.84 0.00 0.00 57.88 59.35 1sjd h LEU 145 Cb 0.45 0.43 -0.16 0.00 0.37 0.00 0.00 40.66 41.75 1sjd h LEU 145 CO -0.55 -0.60 0.34 -0.07 -0.34 0.00 0.00 178.44 177.22 1sjd h LEU 146 N -0.90 0.11 -0.29 2.25 3.38 0.86 0.40 115.31 121.11 1sjd h LEU 146 Ca -0.05 0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1sjd h LEU 146 Cb 0.79 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1sjd h LEU 146 CO -0.07 -0.22 0.16 0.44 0.09 0.00 0.00 178.44 178.83 1sjd h ASP 147 N 0.18 0.37 0.03 -0.43 3.32 -0.99 -0.44 116.42 118.46 1sjd h ASP 147 Ca 0.65 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.63 1sjd h ASP 147 Cb 1.45 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.89 1sjd h ASP 147 CO -0.70 0.35 -0.13 0.58 -1.72 0.00 0.00 179.24 177.62 1sjd h VAL 148 N 0.36 0.68 0.56 -1.35 2.07 -0.06 0.22 116.25 118.72 1sjd h VAL 148 Ca 0.10 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 1sjd h VAL 148 Cb 0.07 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1sjd h VAL 148 CO -0.02 0.00 -0.44 0.58 0.02 0.00 0.00 177.57 177.71 1sjd h VAL 149 N -0.24 0.11 -1.02 2.57 2.07 -0.49 -0.87 116.25 118.38 1sjd h VAL 149 Ca 0.04 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.82 1sjd h VAL 149 Cb 0.28 0.11 -0.12 0.00 -1.52 0.00 0.00 31.29 30.04 1sjd h VAL 149 CO -0.11 0.00 0.61 1.23 0.02 0.00 0.00 177.57 179.32 1sjd h GLY 150 N -0.98 1.82 0.97 2.17 0.00 -0.94 0.43 103.07 106.55 1sjd h GLY 150 Ca -0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1sjd h GLY 150 CO 0.00 -0.27 -0.23 -1.33 0.00 0.00 0.00 176.54 174.71 1sjd h GLY 151 N 0.51 -0.68 0.88 4.60 0.00 0.45 -1.43 103.07 107.40 1sjd h GLY 151 Ca 0.66 0.25 0.04 0.00 0.00 0.00 0.00 47.33 48.28 1sjd h GLY 151 CO -0.47 -0.25 0.65 -0.97 0.00 0.00 0.00 176.54 175.51 1sjd h TYR 152 N -0.69 1.22 -0.91 5.60 0.99 -0.01 -1.12 116.97 122.06 1sjd h TYR 152 Ca -0.07 0.03 0.13 0.00 2.00 0.00 0.00 58.73 60.82 1sjd h TYR 152 Cb 0.52 -0.41 -0.09 0.00 1.00 0.00 0.00 36.73 37.75 1sjd h TYR 152 CO -0.03 0.70 0.53 -0.07 -0.00 0.00 0.00 178.16 179.28 1sjd h LEU 153 N 1.25 0.73 -0.27 3.88 3.38 -0.51 -1.38 115.31 122.38 1sjd h LEU 153 Ca 0.40 0.07 -0.20 0.00 0.09 0.00 0.00 57.88 58.24 1sjd h LEU 153 Cb 0.01 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1sjd h LEU 153 CO -0.13 0.36 -0.64 0.44 0.09 0.00 0.00 178.44 178.57 1sjd h ASP 154 N 0.81 0.92 -0.59 -0.43 3.32 -0.16 -2.81 116.42 117.47 1sjd h ASP 154 Ca 0.47 -0.54 0.17 0.00 0.02 0.00 0.00 57.03 57.15 1sjd h ASP 154 Cb 0.54 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1sjd h ASP 154 CO -0.30 1.33 0.60 -0.33 -1.72 0.00 0.00 179.24 178.81 1sjd h GLU 155 N 0.59 0.00 0.00 3.56 5.08 -0.24 -3.44 114.58 120.13 1sjd h GLU 155 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1sjd h GLU 155 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1sjd h GLU 155 CO 0.13 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.55 1sjd n GLY 156 N -1.56 1.14 3.71 -3.84 0.00 -1.00 -4.80 105.19 98.85 1sjd n GLY 156 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1sjd n GLY 156 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sjd n TYR 157 N -1.03 2.62 0.07 1.61 4.02 -0.85 -3.87 117.16 119.74 1sjd n TYR 157 Ca 0.00 0.22 -0.09 0.00 -0.01 0.00 0.00 57.90 58.03 1sjd n TYR 157 Cb 0.00 -2.59 -0.10 0.00 -0.02 0.00 0.00 39.34 36.63 1sjd n TYR 157 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1sjd h VAL 158 N 3.47 1.65 -3.83 -0.72 2.07 -1.20 -3.43 116.25 114.26 1sjd h VAL 158 Ca -0.45 -3.25 -0.16 0.00 0.82 0.00 0.00 66.70 63.65 1sjd h VAL 158 Cb 1.23 2.82 -0.21 0.00 -1.52 0.00 0.00 31.29 33.61 1sjd h VAL 158 CO 0.85 0.93 -0.63 -0.60 0.02 0.00 0.00 177.57 178.14 1sjd s ARG 159 N -2.77 0.36 -0.17 1.57 3.00 -1.25 -4.34 118.95 115.35 1sjd s ARG 159 Ca -0.00 -0.53 -0.02 0.00 -1.00 0.00 0.00 55.73 54.18 1sjd s ARG 159 Cb 0.10 0.14 -0.01 0.00 0.00 0.00 0.00 34.95 35.17 1sjd s ARG 159 CO 0.83 -0.07 -0.10 0.42 0.00 0.00 0.00 175.30 176.38 1sjd s ILE 160 N -1.42 3.09 -0.17 4.11 -1.09 0.14 -0.50 121.20 125.37 1sjd s ILE 160 Ca -0.15 -0.62 -0.01 0.00 -2.23 0.00 0.00 60.65 57.64 1sjd s ILE 160 Cb -0.09 -2.35 -0.01 0.00 -1.58 0.00 0.00 42.46 38.44 1sjd s ILE 160 CO -0.00 0.48 -0.11 -0.75 -1.23 0.00 0.00 174.94 173.33 1sjd s LYS 161 N 0.91 3.31 -0.22 2.79 2.20 0.21 -1.80 119.74 127.14 1sjd s LYS 161 Ca -0.02 -0.69 -0.06 0.00 -0.36 0.00 0.00 55.97 54.83 1sjd s LYS 161 Cb -0.15 -2.75 -0.03 0.00 -1.51 0.00 0.00 37.83 33.39 1sjd s LYS 161 CO -0.00 -0.01 0.04 -0.51 -0.36 0.00 0.00 175.35 174.51 1sjd s LEU 162 N 0.91 3.39 0.13 5.43 1.43 0.42 0.72 118.68 131.12 1sjd s LEU 162 Ca -0.02 -0.18 -0.31 0.00 -1.03 0.00 0.00 54.13 52.59 1sjd s LEU 162 Cb -0.15 -1.89 -0.08 0.00 0.03 0.00 0.00 46.19 44.11 1sjd s LEU 162 CO -0.00 0.02 1.33 -0.54 0.23 0.00 0.00 176.35 177.38 1sjd s LYS 163 N 1.26 4.37 0.22 1.70 -0.14 -0.32 -1.21 119.74 125.61 1sjd s LYS 163 Ca 0.04 2.01 0.09 0.00 -1.36 0.00 0.00 55.97 56.75 1sjd s LYS 163 Cb -0.15 -3.25 -0.05 0.00 -1.68 0.00 0.00 37.83 32.71 1sjd s LYS 163 CO 0.02 -0.34 -0.17 0.96 -0.76 0.00 0.00 175.35 175.06 1sjd s ILE 164 N 0.78 1.99 0.16 2.17 -4.36 -0.68 -4.31 121.20 116.94 1sjd s ILE 164 Ca 0.61 -2.20 -0.16 0.00 -0.26 0.00 0.00 60.65 58.64 1sjd s ILE 164 Cb -0.35 -2.08 0.03 0.00 1.25 0.00 0.00 42.46 41.31 1sjd s ILE 164 CO 0.32 -0.46 0.45 -0.70 0.24 0.00 0.00 174.94 174.79 1sjd s GLU 165 N -3.39 1.20 0.25 0.37 2.12 -0.83 -4.37 118.70 114.06 1sjd s GLU 165 Ca 0.23 -0.79 -0.31 0.00 0.36 0.00 0.00 54.97 54.46 1sjd s GLU 165 Cb -0.03 0.49 -0.11 0.00 0.26 0.00 0.00 34.13 34.73 1sjd s GLU 165 CO 0.09 -0.49 1.61 -2.14 -0.54 0.00 0.00 175.26 173.79 1sjd s PRO 166 N -3.84 4.15 0.00 4.30 0.02 -1.26 -0.30 135.00 138.07 1sjd s PRO 166 Ca 0.06 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.62 1sjd s PRO 166 Cb 0.01 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.47 1sjd s PRO 166 CO -0.08 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.37 1sjd n GLY 167 N 2.77 0.76 2.47 0.52 0.00 -1.26 -4.93 105.19 105.52 1sjd n GLY 167 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 1sjd n GLY 167 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1sjd n TRP 168 N -2.15 -1.81 0.00 1.61 -0.00 0.59 -5.05 117.44 110.64 1sjd n TRP 168 Ca 0.00 -2.69 0.00 0.00 -0.00 0.00 0.00 57.50 54.81 1sjd n TRP 168 Cb 0.00 0.62 0.00 0.00 -0.00 0.00 0.00 31.31 31.93 1sjd n TRP 168 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1sjd n ASP 169 N 1.38 0.00 -0.24 5.87 5.75 -1.25 -1.97 116.55 126.10 1sjd n ASP 169 Ca 0.15 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 54.97 1sjd n ASP 169 Cb 0.59 0.00 0.16 0.00 -1.03 0.00 0.00 41.12 40.85 1sjd n ASP 169 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1sjd h VAL 170 N 0.00 0.57 0.76 2.12 2.07 -1.92 -1.85 116.25 118.00 1sjd h VAL 170 Ca 0.00 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1sjd h VAL 170 Cb 0.00 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1sjd h VAL 170 CO 0.00 0.05 -0.37 -0.33 0.02 0.00 0.00 177.57 176.95 1sjd h GLU 171 N 0.29 -0.99 -1.01 1.57 4.39 -1.96 0.74 114.58 117.61 1sjd h GLU 171 Ca 0.39 0.07 0.23 0.00 0.34 0.00 0.00 59.36 60.39 1sjd h GLU 171 Cb 0.64 0.22 -0.11 0.00 -0.10 0.00 0.00 28.75 29.40 1sjd h GLU 171 CO -0.47 -0.66 0.62 -1.00 -1.16 0.00 0.00 179.01 176.34 1sjd h PRO 172 N -1.11 0.57 0.09 2.33 0.13 -1.90 0.55 132.00 132.66 1sjd h PRO 172 Ca -0.10 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1sjd h PRO 172 Cb 0.79 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1sjd h PRO 172 CO 0.17 0.37 -0.05 0.28 -0.23 0.00 0.00 178.00 178.55 1sjd h VAL 173 N 0.58 1.08 -0.85 1.56 2.07 -0.89 -1.64 116.25 118.17 1sjd h VAL 173 Ca 0.61 -0.68 0.15 0.00 0.82 0.00 0.00 66.70 67.61 1sjd h VAL 173 Cb 1.20 1.52 -0.10 0.00 -1.52 0.00 0.00 31.29 32.39 1sjd h VAL 173 CO -0.40 0.17 0.42 -0.09 0.02 0.00 0.00 177.57 177.69 1sjd h ARG 174 N -0.44 0.57 -0.04 1.57 2.43 0.23 -1.04 114.38 117.67 1sjd h ARG 174 Ca -0.01 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1sjd h ARG 174 Cb 0.37 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1sjd h ARG 174 CO 0.02 0.38 0.03 0.00 -1.51 0.00 0.00 179.97 178.89 1sjd h ALA 175 N 1.57 0.05 -0.44 2.80 0.00 0.29 -1.24 119.26 122.29 1sjd h ALA 175 Ca 0.47 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.28 1sjd h ALA 175 Cb 0.69 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1sjd h ALA 175 CO -0.38 -0.43 -0.02 0.28 0.00 0.00 0.00 179.25 178.70 1sjd h VAL 176 N 0.02 1.26 -0.06 0.00 2.07 -0.64 -1.43 116.25 117.47 1sjd h VAL 176 Ca 0.02 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.48 1sjd h VAL 176 Cb 0.04 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1sjd h VAL 176 CO -0.00 0.37 -0.03 0.03 0.02 0.00 0.00 177.57 177.95 1sjd h ARG 177 N 0.63 -0.03 0.33 1.57 2.47 -1.18 0.77 114.38 118.94 1sjd h ARG 177 Ca 0.12 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.83 1sjd h ARG 177 Cb 0.52 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.83 1sjd h ARG 177 CO 0.03 -0.02 -0.32 1.49 0.56 0.00 0.00 179.97 181.71 1sjd h GLU 178 N -0.03 -0.62 -0.15 0.04 4.81 -1.14 0.35 114.58 117.83 1sjd h GLU 178 Ca 0.04 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1sjd h GLU 178 Cb 0.08 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1sjd h GLU 178 CO -0.08 -0.42 0.01 -0.09 -0.73 0.00 0.00 179.01 177.71 1sjd h ARG 179 N -0.65 0.26 0.00 1.92 9.65 -1.23 -3.30 114.38 121.04 1sjd h ARG 179 Ca -0.04 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.76 1sjd h ARG 179 Cb 0.56 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 1sjd h ARG 179 CO -0.03 0.46 -0.67 0.74 2.80 0.00 0.00 179.97 183.27 1sjd h PHE 180 N 0.02 0.00 0.00 2.20 -1.00 0.51 -3.51 116.94 115.16 1sjd h PHE 180 Ca 0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1sjd h PHE 180 Cb 0.33 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.89 1sjd h PHE 180 CO 0.03 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.14 1sjd n GLY 181 N 1.19 1.27 0.02 -1.45 0.00 0.12 -4.76 105.19 101.59 1sjd n GLY 181 Ca 0.02 -2.09 0.12 0.00 0.00 0.00 0.00 46.02 44.07 1sjd n GLY 181 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sjd n ASP 182 N 0.00 0.49 -1.21 1.61 9.92 -1.26 -4.05 116.55 122.05 1sjd n ASP 182 Ca 0.00 -0.23 0.12 0.00 -0.53 0.00 0.00 54.79 54.15 1sjd n ASP 182 Cb 0.00 0.15 0.26 0.00 -0.64 0.00 0.00 41.12 40.89 1sjd n ASP 182 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1sjd n ASP 183 N -1.41 3.57 -4.77 -2.24 8.00 -1.26 -4.92 116.55 113.52 1sjd n ASP 183 Ca 0.07 -1.99 -0.38 0.00 0.71 0.00 0.00 54.79 53.19 1sjd n ASP 183 Cb 0.33 -0.33 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1sjd n ASP 183 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1sjd s VAL 184 N -1.33 4.00 -0.51 2.53 1.01 -1.26 -4.96 120.40 119.88 1sjd s VAL 184 Ca 0.42 1.76 -0.29 0.00 0.00 0.00 0.00 61.98 63.87 1sjd s VAL 184 Cb 0.24 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.63 1sjd s VAL 184 CO 0.32 0.23 1.16 -0.76 0.00 0.00 0.00 175.10 176.05 1sjd s LEU 185 N -1.87 3.57 -0.05 3.92 1.43 -1.26 -4.98 118.68 119.44 1sjd s LEU 185 Ca 0.49 0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.96 1sjd s LEU 185 Cb -0.23 -3.42 -0.00 0.00 0.03 0.00 0.00 46.19 42.58 1sjd s LEU 185 CO 0.29 -1.34 -0.16 -0.22 0.23 0.00 0.00 176.35 175.15 1sjd s LEU 186 N 4.63 1.88 0.11 1.79 2.96 -1.26 0.27 118.68 129.07 1sjd s LEU 186 Ca 0.46 -0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 53.96 1sjd s LEU 186 Cb -0.07 -0.93 -0.01 0.00 0.50 0.00 0.00 46.19 45.68 1sjd s LEU 186 CO 0.30 0.13 0.19 0.00 -1.32 0.00 0.00 176.35 175.65 1sjd s GLN 187 N 0.13 0.93 0.29 1.98 -2.07 -0.75 0.15 119.66 120.33 1sjd s GLN 187 Ca -0.05 -1.08 0.11 0.00 -1.82 0.00 0.00 55.36 52.52 1sjd s GLN 187 Cb -0.12 0.34 -0.05 0.00 -1.09 0.00 0.00 33.01 32.09 1sjd s GLN 187 CO 0.02 -0.30 -0.17 0.14 -1.32 0.00 0.00 175.29 173.66 1sjd s VAL 188 N -3.91 2.50 -0.19 3.63 -7.23 -0.86 -0.44 120.40 113.90 1sjd s VAL 188 Ca 0.10 -2.34 -0.04 0.00 -1.81 0.00 0.00 61.98 57.90 1sjd s VAL 188 Cb 0.05 -2.40 0.06 0.00 0.56 0.00 0.00 36.38 34.65 1sjd s VAL 188 CO -0.07 -0.36 0.07 -0.62 -0.31 0.00 0.00 175.10 173.81 1sjd s ASP 189 N -3.54 2.69 0.05 4.85 2.15 -0.35 -0.86 116.67 121.66 1sjd s ASP 189 Ca 0.31 -0.76 0.26 0.00 0.43 0.00 0.00 52.55 52.79 1sjd s ASP 189 Cb -0.04 -0.42 0.78 0.00 -0.30 0.00 0.00 42.92 42.94 1sjd s ASP 189 CO 0.16 -0.34 1.63 0.00 -0.17 0.00 0.00 175.17 176.45 1sjd n ALA 190 N 5.16 2.85 -4.23 3.66 0.00 0.09 -1.69 120.51 126.35 1sjd n ALA 190 Ca -0.08 -0.20 -0.33 0.00 0.00 0.00 0.00 53.44 52.83 1sjd n ALA 190 Cb 0.48 -1.30 -0.05 0.00 0.00 0.00 0.00 19.45 18.58 1sjd n ALA 190 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sjd n ASN 191 N -1.70 -1.15 -0.30 0.00 4.13 -1.21 -1.24 115.26 113.80 1sjd n ASN 191 Ca 0.06 -1.12 -0.04 0.00 1.68 0.00 0.00 54.58 55.16 1sjd n ASN 191 Cb 0.37 -2.34 -0.02 0.00 -1.54 0.00 0.00 39.78 36.25 1sjd n ASN 191 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1sjd n THR 192 N -4.39 0.00 0.28 3.41 -2.24 0.11 -4.83 114.28 106.63 1sjd n THR 192 Ca -0.13 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.74 1sjd n THR 192 Cb 0.59 -0.74 0.42 0.00 -2.10 0.00 0.00 70.33 68.50 1sjd n THR 192 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sjd n ALA 193 N 1.07 1.37 -2.47 6.98 0.00 -0.37 -3.98 120.51 123.11 1sjd n ALA 193 Ca -0.04 0.09 -0.27 0.00 0.00 0.00 0.00 53.44 53.22 1sjd n ALA 193 Cb 0.25 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.37 1sjd n ALA 193 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1sjd s TYR 194 N -3.29 2.11 0.19 0.00 1.51 0.83 -4.70 117.35 114.00 1sjd s TYR 194 Ca 0.02 -0.74 0.06 0.00 -1.01 0.00 0.00 57.07 55.39 1sjd s TYR 194 Cb 0.07 -1.89 -0.05 0.00 -0.11 0.00 0.00 41.96 39.98 1sjd s TYR 194 CO 0.25 -0.08 -0.09 0.95 -1.11 0.00 0.00 175.55 175.47 1sjd s THR 195 N -2.71 1.37 0.32 -0.71 -4.23 -1.26 -4.21 115.64 104.21 1sjd s THR 195 Ca 0.32 -2.11 0.07 0.00 -1.18 0.00 0.00 61.69 58.79 1sjd s THR 195 Cb 0.01 -2.05 0.31 0.00 1.34 0.00 0.00 72.50 72.11 1sjd s THR 195 CO 0.19 -0.59 1.81 0.25 -0.54 0.00 0.00 174.62 175.74 1sjd h LEU 196 N 2.61 0.75 0.00 4.79 5.85 -1.95 0.78 115.31 128.13 1sjd h LEU 196 Ca -0.38 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1sjd h LEU 196 Cb 1.21 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1sjd h LEU 196 CO 0.64 0.32 0.00 0.61 -0.34 0.00 0.00 178.44 179.66 1sjd n GLY 197 N -1.38 -0.56 1.02 3.75 0.00 -1.26 -1.72 105.19 105.04 1sjd n GLY 197 Ca 0.21 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1sjd n GLY 197 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sjd n ASP 198 N -1.46 3.06 -0.33 1.61 8.00 0.27 -4.56 116.55 123.14 1sjd n ASP 198 Ca 0.01 -1.94 0.16 0.00 0.71 0.00 0.00 54.79 53.73 1sjd n ASP 198 Cb 0.03 -0.22 0.31 0.00 -0.02 0.00 0.00 41.12 41.23 1sjd n ASP 198 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sjd h ALA 199 N 4.41 1.25 -0.75 2.24 0.00 -1.44 0.19 119.26 125.16 1sjd h ALA 199 Ca 0.00 0.32 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1sjd h ALA 199 Cb 0.88 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1sjd h ALA 199 CO 0.00 -0.59 0.29 -1.35 0.00 0.00 0.00 179.25 177.59 1sjd h PRO 200 N 0.02 1.12 -0.41 0.00 0.11 -1.85 0.47 132.00 131.46 1sjd h PRO 200 Ca 0.61 -0.21 -0.03 0.00 0.11 0.00 0.00 66.00 66.48 1sjd h PRO 200 Cb 1.30 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1sjd h PRO 200 CO -0.88 0.92 0.13 0.37 -0.21 0.00 0.00 178.00 178.33 1sjd h GLN 201 N 1.10 0.64 0.00 1.05 5.75 -0.97 -2.55 115.11 120.13 1sjd h GLN 201 Ca 0.25 -0.14 -0.08 0.00 -0.15 0.00 0.00 58.65 58.53 1sjd h GLN 201 Cb 0.23 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 1sjd h GLN 201 CO -0.02 0.63 -0.38 -0.07 -2.65 0.00 0.00 178.83 176.35 1sjd h LEU 202 N 0.52 0.00 -1.91 -2.39 3.38 -0.95 -2.04 115.31 111.92 1sjd h LEU 202 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1sjd h LEU 202 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1sjd h LEU 202 CO -0.00 0.38 -0.10 0.00 0.09 0.00 0.00 178.44 178.80 1sjd h ALA 203 N 1.62 1.21 0.00 1.53 0.00 0.27 -0.55 119.26 123.34 1sjd h ALA 203 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1sjd h ALA 203 Cb 0.75 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1sjd h ALA 203 CO 0.05 0.13 0.00 0.54 0.00 0.00 0.00 179.25 179.97 1sjd n ARG 204 N -3.52 0.14 0.00 0.00 1.74 -0.77 -1.42 116.66 112.84 1sjd n ARG 204 Ca -0.02 0.20 0.11 0.00 -0.77 0.00 0.00 57.85 57.37 1sjd n ARG 204 Cb 0.24 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.13 1sjd n ARG 204 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1sjd n LEU 205 N -1.30 1.35 -0.31 0.55 4.77 -0.21 -4.57 117.00 117.27 1sjd n LEU 205 Ca 0.05 -0.57 0.16 0.00 -0.03 0.00 0.00 56.01 55.62 1sjd n LEU 205 Cb 0.09 -0.01 0.33 0.00 -2.33 0.00 0.00 43.42 41.50 1sjd n LEU 205 CO 0.08 0.29 0.95 0.44 -1.33 0.00 0.00 177.39 177.82 1sjd h ASP 206 N 0.91 0.00 1.07 -1.43 5.19 -1.38 -2.18 116.42 118.60 1sjd h ASP 206 Ca 0.00 0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1sjd h ASP 206 Cb 0.59 0.29 0.00 0.00 0.18 0.00 0.00 39.33 40.39 1sjd h ASP 206 CO 0.00 -0.21 0.00 1.55 -3.12 0.00 0.00 179.24 177.46 1sjd h PRO 207 N 0.17 0.00 -0.01 3.56 0.13 -1.81 -3.31 132.00 130.74 1sjd h PRO 207 Ca 0.60 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.73 1sjd h PRO 207 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1sjd h PRO 207 CO -0.70 0.00 -0.05 1.19 -0.23 0.00 0.00 178.00 178.21 1sjd n PHE 208 N -2.74 0.00 -3.48 1.56 3.01 -0.82 -4.96 117.46 110.03 1sjd n PHE 208 Ca 0.02 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.24 1sjd n PHE 208 Cb 0.31 -0.06 0.07 0.00 -0.01 0.00 0.00 39.48 39.80 1sjd n PHE 208 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sjd n GLY 209 N 1.17 -0.53 3.76 1.37 0.00 -1.25 -4.98 105.19 104.73 1sjd n GLY 209 Ca 0.18 0.23 -0.35 0.00 0.00 0.00 0.00 46.02 46.08 1sjd n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sjd s LEU 210 N -7.14 3.58 0.35 0.99 1.43 -1.26 -4.81 118.68 111.82 1sjd s LEU 210 Ca 0.53 2.24 0.08 0.00 -1.03 0.00 0.00 54.13 55.94 1sjd s LEU 210 Cb -0.23 -4.58 0.64 0.00 0.03 0.00 0.00 46.19 42.04 1sjd s LEU 210 CO 0.66 -1.58 1.84 -0.07 0.23 0.00 0.00 176.35 177.42 1sjd h LEU 211 N 0.64 0.28 -7.20 1.79 3.38 -0.67 -3.43 115.31 110.09 1sjd h LEU 211 Ca -0.49 -0.08 0.30 0.00 0.09 0.00 0.00 57.88 57.70 1sjd h LEU 211 Cb 1.28 -0.08 -0.13 0.00 0.09 0.00 0.00 40.66 41.82 1sjd h LEU 211 CO 0.55 0.50 0.80 -1.48 0.09 0.00 0.00 178.44 178.90 1sjd s LEU 212 N -8.65 -0.08 -0.16 1.67 0.05 -1.26 -4.38 118.68 105.87 1sjd s LEU 212 Ca -0.06 -0.12 0.02 0.00 0.05 0.00 0.00 54.13 54.02 1sjd s LEU 212 Cb 0.15 1.43 0.02 0.00 -2.05 0.00 0.00 46.19 45.74 1sjd s LEU 212 CO 0.75 -0.32 -0.21 -0.51 -0.55 0.00 0.00 176.35 175.51 1sjd s ILE 213 N -2.48 2.04 -0.13 1.48 2.07 0.91 -2.04 121.20 123.06 1sjd s ILE 213 Ca 0.13 -0.94 -0.14 0.00 -1.41 0.00 0.00 60.65 58.28 1sjd s ILE 213 Cb 0.03 -1.82 -0.05 0.00 0.13 0.00 0.00 42.46 40.76 1sjd s ILE 213 CO -0.04 0.54 0.33 -0.70 -1.91 0.00 0.00 174.94 173.17 1sjd s GLU 214 N 1.07 4.17 -0.85 3.50 2.12 -0.04 -0.88 118.70 127.78 1sjd s GLU 214 Ca -0.01 0.19 -0.22 0.00 0.36 0.00 0.00 54.97 55.29 1sjd s GLU 214 Cb -0.14 -3.38 0.03 0.00 0.26 0.00 0.00 34.13 30.90 1sjd s GLU 214 CO -0.08 0.33 0.42 0.94 -0.54 0.00 0.00 175.26 176.33 1sjd n GLN 215 N 3.23 -0.51 -0.32 4.30 -0.06 0.68 -0.73 117.38 123.97 1sjd n GLN 215 Ca -0.12 -0.12 0.02 0.00 -2.00 0.00 0.00 57.00 54.79 1sjd n GLN 215 Cb 0.52 -1.45 0.21 0.00 -4.06 0.00 0.00 30.24 25.45 1sjd n GLN 215 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 1sjd h PRO 216 N -0.85 1.08 -6.05 3.69 0.13 -1.82 0.33 132.00 128.51 1sjd h PRO 216 Ca -0.49 -0.07 -0.54 0.00 -0.87 0.00 0.00 66.00 64.04 1sjd h PRO 216 Cb 0.96 -0.24 -0.05 0.00 0.13 0.00 0.00 31.00 31.80 1sjd h PRO 216 CO 0.37 0.72 -0.37 -0.51 -0.23 0.00 0.00 178.00 177.98 1sjd s LEU 217 N -10.03 3.10 0.79 1.56 1.43 -1.26 -0.12 118.68 114.15 1sjd s LEU 217 Ca -0.12 -0.98 -0.14 0.00 -1.03 0.00 0.00 54.13 51.86 1sjd s LEU 217 Cb 0.19 -1.63 0.06 0.00 0.03 0.00 0.00 46.19 44.83 1sjd s LEU 217 CO 0.80 -0.81 1.08 -1.84 0.23 0.00 0.00 176.35 175.82 1sjd n GLU 218 N -1.58 0.25 -0.25 1.70 0.28 -1.26 -4.26 120.64 115.52 1sjd n GLU 218 Ca 0.01 0.15 0.03 0.00 -0.16 0.00 0.00 57.16 57.20 1sjd n GLU 218 Cb 0.63 -2.33 0.12 0.00 1.43 0.00 0.00 31.44 31.29 1sjd n GLU 218 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1sjd h GLU 219 N -0.75 0.06 0.00 3.44 4.81 -1.92 -0.73 114.58 119.49 1sjd h GLU 219 Ca -0.46 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1sjd h GLU 219 Cb 1.31 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1sjd h GLU 219 CO 0.45 0.04 0.00 0.39 -0.73 0.00 0.00 179.01 179.16 1sjd n GLU 220 N -5.40 0.11 -1.99 1.92 4.71 -1.26 -4.22 120.64 114.50 1sjd n GLU 220 Ca 0.12 0.14 -0.41 0.00 -0.01 0.00 0.00 57.16 56.99 1sjd n GLU 220 Cb 0.43 -1.64 -0.00 0.00 -1.01 0.00 0.00 31.44 29.22 1sjd n GLU 220 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1sjd n ASP 221 N -1.83 5.94 0.19 1.62 2.03 -0.28 -4.72 116.55 119.49 1sjd n ASP 221 Ca 0.06 -2.99 -0.13 0.00 0.52 0.00 0.00 54.79 52.24 1sjd n ASP 221 Cb 0.35 -1.50 -0.08 0.00 -0.72 0.00 0.00 41.12 39.16 1sjd n ASP 221 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1sjd h VAL 222 N 3.45 0.60 -0.46 5.18 2.07 -1.82 -1.91 116.25 123.36 1sjd h VAL 222 Ca 0.56 -0.53 0.07 0.00 0.82 0.00 0.00 66.70 67.62 1sjd h VAL 222 Cb 0.51 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1sjd h VAL 222 CO 1.68 0.09 0.31 -0.07 0.02 0.00 0.00 177.57 179.60 1sjd h LEU 223 N -0.81 0.28 -0.41 2.57 3.38 -1.95 -0.42 115.31 117.96 1sjd h LEU 223 Ca -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1sjd h LEU 223 Cb 0.53 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1sjd h LEU 223 CO 0.08 0.18 0.15 1.23 0.09 0.00 0.00 178.44 180.17 1sjd h GLY 224 N 0.32 0.67 1.42 0.83 0.00 -1.90 -0.29 103.07 104.12 1sjd h GLY 224 Ca 0.20 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1sjd h GLY 224 CO -0.05 0.36 0.25 0.45 0.00 0.00 0.00 176.54 177.55 1sjd h HIS 225 N 0.52 0.75 -0.77 5.60 3.86 -0.29 0.32 115.15 125.14 1sjd h HIS 225 Ca 0.13 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 1sjd h HIS 225 Cb 0.22 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.42 1sjd h HIS 225 CO 0.00 0.55 0.38 0.00 0.86 0.00 0.00 177.93 179.73 1sjd h ALA 226 N 1.53 1.00 -0.09 2.45 0.00 -0.71 0.30 119.26 123.73 1sjd h ALA 226 Ca 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1sjd h ALA 226 Cb 0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1sjd h ALA 226 CO -0.02 0.55 0.02 1.49 0.00 0.00 0.00 179.25 181.29 1sjd h GLU 227 N 1.09 0.15 -0.94 0.00 4.22 -0.09 -2.82 114.58 116.18 1sjd h GLU 227 Ca 0.27 -0.03 0.09 0.00 0.08 0.00 0.00 59.36 59.76 1sjd h GLU 227 Cb 0.11 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.26 1sjd h GLU 227 CO -0.04 0.32 0.59 1.25 -2.18 0.00 0.00 179.01 178.96 1sjd h LEU 228 N -0.06 0.89 -1.75 1.64 5.85 0.05 0.76 115.31 122.70 1sjd h LEU 228 Ca 0.03 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.88 1sjd h LEU 228 Cb 0.24 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1sjd h LEU 228 CO 0.00 0.53 0.35 0.00 -0.34 0.00 0.00 178.44 178.98 1sjd h ALA 229 N 1.47 2.10 0.00 1.25 0.00 -0.18 0.35 119.26 124.25 1sjd h ALA 229 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1sjd h ALA 229 Cb 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1sjd h ALA 229 CO -0.22 -0.22 0.00 0.54 0.00 0.00 0.00 179.25 179.35 1sjd n ARG 230 N -4.46 0.14 -0.00 0.00 1.74 0.24 -3.59 116.66 110.73 1sjd n ARG 230 Ca 0.08 0.03 0.04 0.00 -0.77 0.00 0.00 57.85 57.23 1sjd n ARG 230 Cb 0.38 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.27 1sjd n ARG 230 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1sjd n ARG 231 N -1.42 3.23 -4.48 5.56 1.74 0.12 -5.03 116.66 116.37 1sjd n ARG 231 Ca 0.09 -0.02 -0.24 0.00 -0.77 0.00 0.00 57.85 56.91 1sjd n ARG 231 Cb 0.28 -0.98 -0.10 0.00 -1.02 0.00 0.00 32.46 30.64 1sjd n ARG 231 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1sjd s ILE 232 N -2.01 2.08 -0.09 0.55 -4.36 -0.71 -4.81 121.20 111.86 1sjd s ILE 232 Ca 0.02 -2.23 0.06 0.00 -0.26 0.00 0.00 60.65 58.24 1sjd s ILE 232 Cb 0.06 -2.47 -0.24 0.00 1.25 0.00 0.00 42.46 41.06 1sjd s ILE 232 CO 0.36 -0.30 0.46 0.00 0.24 0.00 0.00 174.94 175.70 1sjd n GLN 233 N -0.67 0.68 -1.97 0.37 6.02 -1.26 -4.86 117.38 115.69 1sjd n GLN 233 Ca -0.05 0.25 -0.42 0.00 -0.01 0.00 0.00 57.00 56.76 1sjd n GLN 233 Cb 0.62 -1.73 -0.03 0.00 1.02 0.00 0.00 30.24 30.13 1sjd n GLN 233 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1sjd s THR 234 N -2.57 3.06 0.39 5.09 2.01 -1.26 -4.95 115.64 117.42 1sjd s THR 234 Ca -0.13 0.57 -0.27 0.00 0.31 0.00 0.00 61.69 62.17 1sjd s THR 234 Cb 0.07 -3.36 -0.10 0.00 0.01 0.00 0.00 72.50 69.12 1sjd s THR 234 CO 0.80 0.01 1.40 -2.65 -0.69 0.00 0.00 174.62 173.48 1sjd n PRO 235 N 5.27 2.35 -3.19 4.92 -0.02 -1.26 -4.69 135.00 138.38 1sjd n PRO 235 Ca 0.15 0.83 -0.39 0.00 -2.02 0.00 0.00 63.50 62.07 1sjd n PRO 235 Cb 0.41 -2.55 -0.06 0.00 -0.02 0.00 0.00 33.50 31.28 1sjd n PRO 235 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1sjd s ILE 236 N -1.14 4.95 -0.06 4.25 -1.09 -1.26 -0.06 121.20 126.78 1sjd s ILE 236 Ca 0.57 1.25 0.05 0.00 -2.23 0.00 0.00 60.65 60.28 1sjd s ILE 236 Cb -0.49 -3.94 -0.00 0.00 -1.58 0.00 0.00 42.46 36.45 1sjd s ILE 236 CO 0.61 0.39 -0.21 0.00 -1.23 0.00 0.00 174.94 174.50 1sjd s LEU 238 N 0.11 3.32 0.00 0.00 1.43 -1.13 -0.23 118.68 122.18 1sjd s LEU 238 Ca -0.08 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1sjd s LEU 238 Cb -0.14 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1sjd s LEU 238 CO 0.04 0.26 0.00 -0.67 0.23 0.00 0.00 176.35 176.22 1sjd n ASP 239 N 1.33 0.00 -0.27 2.29 -0.08 -1.26 -1.81 116.55 116.75 1sjd n ASP 239 Ca -0.14 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.22 1sjd n ASP 239 Cb 0.52 0.00 0.23 0.00 2.34 0.00 0.00 41.12 44.21 1sjd n ASP 239 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1sjd h GLU 240 N 0.00 0.28 0.00 -0.67 3.07 -1.95 0.31 114.58 115.62 1sjd h GLU 240 Ca 0.00 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 1sjd h GLU 240 Cb 0.00 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 27.84 1sjd h GLU 240 CO 0.00 0.19 -0.04 0.77 -1.40 0.00 0.00 179.01 178.53 1sjd h SER 241 N 0.29 0.00 -1.66 1.42 0.02 -1.90 -3.38 113.55 108.34 1sjd h SER 241 Ca 0.47 0.00 -0.72 0.00 -0.84 0.00 0.00 61.79 60.70 1sjd h SER 241 Cb 0.85 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.25 1sjd h SER 241 CO -0.54 0.04 1.71 -0.38 -1.14 0.00 0.00 176.83 176.52 1sjd n ILE 242 N -3.42 4.15 1.20 3.27 2.08 0.11 -4.76 119.36 121.99 1sjd n ILE 242 Ca -0.02 -4.47 0.13 0.00 0.56 0.00 0.00 62.75 58.94 1sjd n ILE 242 Cb 0.16 -2.43 0.35 0.00 -0.75 0.00 0.00 39.64 36.97 1sjd n ILE 242 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1sjd n VAL 243 N 5.07 0.00 -3.74 1.39 0.24 -1.26 -4.55 118.33 115.48 1sjd n VAL 243 Ca 0.41 -0.11 -0.03 0.00 -2.04 0.00 0.00 64.34 62.57 1sjd n VAL 243 Cb 0.43 0.39 -0.01 0.00 -1.47 0.00 0.00 33.84 33.18 1sjd n VAL 243 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1sjd s SER 244 N -2.59 -0.17 0.21 -1.34 1.04 -1.26 -4.20 113.70 105.39 1sjd s SER 244 Ca 0.22 -0.38 -0.08 0.00 0.48 0.00 0.00 55.95 56.19 1sjd s SER 244 Cb 0.19 0.46 0.14 0.00 0.10 0.00 0.00 66.02 66.90 1sjd s SER 244 CO 0.55 -0.84 1.74 0.00 0.98 0.00 0.00 173.24 175.67 1sjd h ALA 245 N 2.00 0.99 -0.57 5.32 0.00 -1.91 0.12 119.26 125.21 1sjd h ALA 245 Ca -0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1sjd h ALA 245 Cb 1.23 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1sjd h ALA 245 CO 0.26 0.67 0.32 -0.09 0.00 0.00 0.00 179.25 180.41 1sjd h ARG 246 N 1.12 0.79 -0.73 0.00 2.43 -1.97 0.93 114.38 116.95 1sjd h ARG 246 Ca 0.24 -0.09 0.06 0.00 -0.81 0.00 0.00 59.98 59.38 1sjd h ARG 246 Cb 0.31 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 1sjd h ARG 246 CO -0.01 0.59 0.43 0.00 -1.51 0.00 0.00 179.97 179.48 1sjd h ALA 247 N 1.15 0.99 0.19 2.80 0.00 -1.81 0.63 119.26 123.21 1sjd h ALA 247 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1sjd h ALA 247 Cb 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1sjd h ALA 247 CO -0.03 0.14 -0.09 0.00 0.00 0.00 0.00 179.25 179.27 1sjd h ALA 248 N 1.36 -0.25 -0.61 0.00 0.00 0.10 -1.37 119.26 118.50 1sjd h ALA 248 Ca 0.32 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.24 1sjd h ALA 248 Cb 0.17 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1sjd h ALA 248 CO -0.17 -0.64 0.32 0.00 0.00 0.00 0.00 179.25 178.76 1sjd h ALA 249 N 0.56 0.81 -0.08 0.00 0.00 -0.26 -0.86 119.26 119.43 1sjd h ALA 249 Ca -0.03 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sjd h ALA 249 Cb 0.19 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1sjd h ALA 249 CO 0.04 -0.03 0.05 -0.44 0.00 0.00 0.00 179.25 178.87 1sjd h ASP 250 N 0.59 0.09 -0.84 0.00 3.32 -0.81 -0.07 116.42 118.70 1sjd h ASP 250 Ca 0.28 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.30 1sjd h ASP 250 Cb 0.20 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 1sjd h ASP 250 CO -0.19 0.11 0.55 0.00 -1.72 0.00 0.00 179.24 177.99 1sjd h ALA 251 N 0.99 1.06 -0.23 3.45 0.00 -0.84 -0.45 119.26 123.23 1sjd h ALA 251 Ca 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1sjd h ALA 251 Cb 0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1sjd h ALA 251 CO -0.01 0.46 0.03 0.82 0.00 0.00 0.00 179.25 180.55 1sjd h ILE 252 N 1.12 1.23 -0.14 0.00 2.04 -1.00 -1.09 117.51 119.68 1sjd h ILE 252 Ca 0.31 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1sjd h ILE 252 Cb -0.12 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1sjd h ILE 252 CO -0.07 0.25 0.08 0.11 0.00 0.00 0.00 178.15 178.52 1sjd h LYS 253 N 0.19 0.18 -0.01 2.37 1.57 -0.73 -2.11 116.57 118.03 1sjd h LYS 253 Ca 0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1sjd h LYS 253 Cb 0.34 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1sjd h LYS 253 CO 0.01 0.12 -0.07 1.28 -0.57 0.00 0.00 179.45 180.22 1sjd n LEU 254 N -4.51 0.93 -0.29 2.94 4.77 -0.20 -4.92 117.00 115.71 1sjd n LEU 254 Ca -0.01 -0.26 -0.04 0.00 -0.03 0.00 0.00 56.01 55.67 1sjd n LEU 254 Cb 0.08 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1sjd n LEU 254 CO 0.34 0.16 -0.04 0.61 -1.33 0.00 0.00 177.39 177.14 1sjd n GLY 255 N 1.19 0.67 0.12 -0.72 0.00 -0.79 -4.80 105.19 100.86 1sjd n GLY 255 Ca 0.18 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 45.67 1sjd n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sjd n ALA 256 N 1.07 3.03 -3.41 4.61 0.00 -0.45 -4.31 120.51 121.04 1sjd n ALA 256 Ca -0.04 -0.32 -0.15 0.00 0.00 0.00 0.00 53.44 52.94 1sjd n ALA 256 Cb 0.15 -1.23 -0.08 0.00 0.00 0.00 0.00 19.45 18.29 1sjd n ALA 256 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sjd s VAL 257 N -2.67 0.02 -0.01 0.00 0.11 -1.25 -4.43 120.40 112.16 1sjd s VAL 257 Ca 0.21 -0.15 0.03 0.00 -2.93 0.00 0.00 61.98 59.14 1sjd s VAL 257 Cb 0.19 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 1sjd s VAL 257 CO 0.55 -0.08 0.05 0.00 -3.33 0.00 0.00 175.10 172.29 1sjd n GLN 258 N 1.64 0.88 -3.86 1.54 6.02 -0.49 -4.74 117.38 118.39 1sjd n GLN 258 Ca -0.18 -0.02 -0.12 0.00 -0.01 0.00 0.00 57.00 56.67 1sjd n GLN 258 Cb 0.56 -1.07 -0.13 0.00 1.02 0.00 0.00 30.24 30.62 1sjd n GLN 258 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1sjd s ILE 259 N -2.17 0.00 -0.06 5.09 1.01 -1.08 -4.05 121.20 119.94 1sjd s ILE 259 Ca -0.01 -0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.67 1sjd s ILE 259 Cb 0.02 -0.08 -0.01 0.00 0.01 0.00 0.00 42.46 42.39 1sjd s ILE 259 CO 0.12 -0.01 -0.25 -0.69 0.00 0.00 0.00 174.94 174.11 1sjd s VAL 260 N -0.02 2.02 -0.23 2.92 1.01 -0.84 -2.85 120.40 122.41 1sjd s VAL 260 Ca -0.00 -1.04 -0.18 0.00 0.00 0.00 0.00 61.98 60.75 1sjd s VAL 260 Cb -0.01 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1sjd s VAL 260 CO 0.00 0.56 0.51 0.21 0.00 0.00 0.00 175.10 176.38 1sjd s ASN 261 N -0.12 6.48 -0.33 3.32 3.84 -0.75 -1.79 114.94 125.59 1sjd s ASN 261 Ca -0.05 0.58 -0.12 0.00 0.21 0.00 0.00 52.86 53.48 1sjd s ASN 261 Cb -0.14 -2.28 -0.02 0.00 -0.55 0.00 0.00 41.25 38.26 1sjd s ASN 261 CO 0.04 -0.24 0.22 -0.63 -2.79 0.00 0.00 177.10 173.70 1sjd s ILE 262 N 2.00 5.14 -0.30 -5.21 1.01 -0.27 -4.62 121.20 118.95 1sjd s ILE 262 Ca 0.22 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.66 1sjd s ILE 262 Cb -0.15 -3.61 0.06 0.00 0.01 0.00 0.00 42.46 38.77 1sjd s ILE 262 CO 0.09 0.03 -0.02 -0.54 0.00 0.00 0.00 174.94 174.51 1sjd s LYS 263 N 1.70 2.22 0.23 2.79 1.02 -1.26 -1.42 119.74 125.02 1sjd s LYS 263 Ca 0.06 -1.41 -0.10 0.00 0.02 0.00 0.00 55.97 54.54 1sjd s LYS 263 Cb -0.17 -3.11 0.34 0.00 -0.52 0.00 0.00 37.83 34.37 1sjd s LYS 263 CO 0.10 -0.67 1.65 -1.35 -0.92 0.00 0.00 175.35 174.15 1sjd h PRO 264 N 7.87 0.09 -0.55 -1.68 0.11 -1.90 -2.03 132.00 133.91 1sjd h PRO 264 Ca -0.18 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.92 1sjd h PRO 264 Cb 1.05 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1sjd h PRO 264 CO 0.52 0.06 0.29 0.78 -0.21 0.00 0.00 178.00 179.44 1sjd h GLY 265 N 0.09 0.82 0.62 -0.55 0.00 -1.91 0.41 103.07 102.56 1sjd h GLY 265 Ca 0.35 -0.38 0.14 0.00 0.00 0.00 0.00 47.33 47.45 1sjd h GLY 265 CO -0.60 0.36 0.54 -0.09 0.00 0.00 0.00 176.54 176.74 1sjd h ARG 266 N 0.73 0.54 -0.17 4.80 2.43 -1.69 0.29 114.38 121.31 1sjd h ARG 266 Ca 0.19 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1sjd h ARG 266 Cb 0.06 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1sjd h ARG 266 CO -0.03 0.35 0.00 1.33 -1.51 0.00 0.00 179.97 180.12 1sjd n VAL 267 N -4.52 0.20 -0.38 0.20 0.24 -0.96 -4.69 118.33 108.43 1sjd n VAL 267 Ca 0.16 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1sjd n VAL 267 Cb 0.49 0.77 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 1sjd n VAL 267 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sjd n GLY 268 N 1.28 0.77 0.00 7.63 0.00 0.08 -4.71 105.19 110.24 1sjd n GLY 268 Ca 0.17 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1sjd n GLY 268 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sjd n GLY 269 N -2.38 3.67 0.18 -0.02 0.00 0.14 -3.46 105.19 103.33 1sjd n GLY 269 Ca 0.00 -1.75 0.02 0.00 0.00 0.00 0.00 46.02 44.30 1sjd n GLY 269 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1sjd h TYR 270 N 0.00 0.00 -0.17 1.61 -1.99 -1.84 -1.20 116.97 113.38 1sjd h TYR 270 Ca 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 1sjd h TYR 270 Cb 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.72 1sjd h TYR 270 CO 0.00 0.39 0.02 -0.07 -0.00 0.00 0.00 178.16 178.49 1sjd h LEU 271 N 0.00 0.28 -0.72 3.88 3.38 -1.95 -0.39 115.31 119.79 1sjd h LEU 271 Ca -0.00 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 1sjd h LEU 271 Cb 0.69 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1sjd h LEU 271 CO 0.05 0.49 -0.03 -0.08 0.09 0.00 0.00 178.44 178.96 1sjd h GLU 272 N 0.05 0.96 -0.88 1.13 4.57 -1.84 -1.90 114.58 116.67 1sjd h GLU 272 Ca 0.05 -0.30 0.08 0.00 -1.18 0.00 0.00 59.36 58.01 1sjd h GLU 272 Cb 0.34 -0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 28.77 1sjd h GLU 272 CO 0.01 0.96 0.54 0.00 -1.18 0.00 0.00 179.01 179.33 1sjd h ALA 273 N 1.08 1.23 -0.98 2.92 0.00 -1.00 0.35 119.26 122.87 1sjd h ALA 273 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1sjd h ALA 273 Cb 0.55 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1sjd h ALA 273 CO 0.03 0.23 0.63 -0.09 0.00 0.00 0.00 179.25 180.06 1sjd h ARG 274 N 0.94 1.30 -0.64 0.00 2.43 -0.51 -0.50 114.38 117.39 1sjd h ARG 274 Ca 0.40 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.44 1sjd h ARG 274 Cb 0.26 -0.29 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1sjd h ARG 274 CO -0.20 0.87 0.23 0.00 -1.51 0.00 0.00 179.97 179.36 1sjd h ARG 275 N 1.33 0.97 -0.46 0.20 3.08 -0.07 -1.93 114.38 117.50 1sjd h ARG 275 Ca 0.36 -0.19 0.06 0.00 0.07 0.00 0.00 59.98 60.28 1sjd h ARG 275 Cb -0.12 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 29.72 1sjd h ARG 275 CO -0.07 0.84 0.15 0.28 -1.07 0.00 0.00 179.97 180.09 1sjd h VAL 276 N 0.91 0.82 -0.26 2.04 2.07 0.58 -0.04 116.25 122.37 1sjd h VAL 276 Ca 0.21 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.68 1sjd h VAL 276 Cb 0.25 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 1sjd h VAL 276 CO -0.01 0.06 -0.09 -0.74 0.02 0.00 0.00 177.57 176.81 1sjd h HIS 277 N 0.31 -0.20 -0.27 1.57 -0.00 -0.79 0.13 115.15 115.90 1sjd h HIS 277 Ca 0.22 0.03 -0.11 0.00 -0.00 0.00 0.00 60.37 60.50 1sjd h HIS 277 Cb 0.24 0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.77 1sjd h HIS 277 CO -0.17 -0.14 -0.31 -0.44 -0.00 0.00 0.00 177.93 176.87 1sjd h ASP 278 N -0.03 0.58 -0.31 3.26 3.32 -0.79 0.83 116.42 123.28 1sjd h ASP 278 Ca 0.13 -0.22 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 1sjd h ASP 278 Cb 0.23 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1sjd h ASP 278 CO -0.29 0.85 -0.08 0.58 -1.72 0.00 0.00 179.24 178.59 1sjd h VAL 279 N 0.48 1.28 -0.37 -1.35 2.07 -0.56 0.26 116.25 118.06 1sjd h VAL 279 Ca 0.06 -1.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 1sjd h VAL 279 Cb 0.78 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1sjd h VAL 279 CO 0.06 0.36 0.11 0.00 0.02 0.00 0.00 177.57 178.12 1sjd h ALA 281 N 0.95 0.72 -0.03 0.00 0.00 -0.67 -0.08 119.26 120.16 1sjd h ALA 281 Ca 0.12 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1sjd h ALA 281 Cb 0.27 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1sjd h ALA 281 CO -0.00 -0.17 0.07 0.00 0.00 0.00 0.00 179.25 179.16 1sjd h ALA 282 N 1.37 1.32 -0.61 0.00 0.00 -0.55 0.51 119.26 121.30 1sjd h ALA 282 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1sjd h ALA 282 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1sjd h ALA 282 CO -0.26 -0.09 0.00 0.72 0.00 0.00 0.00 179.25 179.62 1sjd n HIS 283 N -3.39 0.81 -1.89 0.00 8.25 -0.17 -4.95 115.22 113.89 1sjd n HIS 283 Ca -0.02 -0.45 -0.11 0.00 -0.26 0.00 0.00 57.72 56.88 1sjd n HIS 283 Cb 0.15 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.24 1sjd n HIS 283 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sjd n GLY 284 N 1.46 0.39 3.44 -1.41 0.00 0.17 -5.00 105.19 104.24 1sjd n GLY 284 Ca 0.22 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 1sjd n GLY 284 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sjd s ILE 285 N -2.50 4.70 0.61 -0.61 -1.09 -0.47 -5.01 121.20 116.83 1sjd s ILE 285 Ca 0.00 -0.50 -0.18 0.00 -2.23 0.00 0.00 60.65 57.74 1sjd s ILE 285 Cb 0.00 -3.46 -0.02 0.00 -1.58 0.00 0.00 42.46 37.40 1sjd s ILE 285 CO 0.00 -0.02 1.16 -2.84 -1.23 0.00 0.00 174.94 172.01 1sjd s PRO 286 N 1.61 2.94 0.27 2.79 0.02 -1.26 -3.86 135.00 137.52 1sjd s PRO 286 Ca 0.04 1.65 0.07 0.00 0.02 0.00 0.00 61.00 62.78 1sjd s PRO 286 Cb -0.18 -1.95 -0.06 0.00 0.02 0.00 0.00 34.50 32.34 1sjd s PRO 286 CO 0.07 -1.18 -0.07 0.14 -0.33 0.00 0.00 177.00 175.62 1sjd s VAL 287 N -1.88 1.69 0.02 3.83 -7.23 -0.99 -1.99 120.40 113.86 1sjd s VAL 287 Ca 0.73 -2.14 -0.10 0.00 -1.81 0.00 0.00 61.98 58.65 1sjd s VAL 287 Cb -0.26 -2.41 0.01 0.00 0.56 0.00 0.00 36.38 34.28 1sjd s VAL 287 CO 0.35 -0.33 0.21 -1.66 -0.31 0.00 0.00 175.10 173.36 1sjd s TRP 288 N -2.98 -0.01 -0.10 2.82 1.48 -0.74 -2.46 118.94 116.94 1sjd s TRP 288 Ca 0.29 -0.11 -0.26 0.00 -1.06 0.00 0.00 56.10 54.96 1sjd s TRP 288 Cb 0.03 0.00 -0.02 0.00 -1.16 0.00 0.00 33.47 32.32 1sjd s TRP 288 CO 0.12 -0.39 0.85 0.00 -4.06 0.00 0.00 176.95 173.47 1sjd s GLY 290 N 1.03 1.63 0.07 0.00 0.00 -0.51 0.52 107.32 110.06 1sjd s GLY 290 Ca 0.42 -0.86 0.05 0.00 0.00 0.00 0.00 44.72 44.33 1sjd s GLY 290 CO 0.18 -0.59 -0.15 -0.32 0.00 0.00 0.00 173.10 172.22 1sjd s GLY 291 N -4.32 0.89 -0.26 0.20 0.00 -1.24 -4.70 107.32 97.89 1sjd s GLY 291 Ca 0.54 -1.00 0.12 0.00 0.00 0.00 0.00 44.72 44.38 1sjd s GLY 291 CO 0.43 -1.02 1.18 1.03 0.00 0.00 0.00 173.10 174.72 1sjd n MET 292 N 1.36 2.74 -3.87 2.90 2.81 -1.26 -4.94 117.12 116.84 1sjd n MET 292 Ca -0.21 -3.79 -0.27 0.00 -1.81 0.00 0.00 57.70 51.62 1sjd n MET 292 Cb 0.54 -1.92 0.02 0.00 -0.71 0.00 0.00 33.22 31.15 1sjd n MET 292 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1sjd n ILE 293 N -0.68 -2.89 -1.62 2.02 5.41 -1.26 -4.92 119.36 115.41 1sjd n ILE 293 Ca 0.31 -0.23 -0.30 0.00 1.00 0.00 0.00 62.75 63.52 1sjd n ILE 293 Cb 0.90 -3.04 0.06 0.00 -0.71 0.00 0.00 39.64 36.85 1sjd n ILE 293 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1sjd s GLU 294 N -6.42 2.62 1.03 0.38 8.01 -1.26 -5.06 118.70 117.99 1sjd s GLU 294 Ca 0.37 0.75 -0.16 0.00 0.01 0.00 0.00 54.97 55.94 1sjd s GLU 294 Cb -0.19 -1.97 0.21 0.00 -4.31 0.00 0.00 34.13 27.87 1sjd s GLU 294 CO 0.84 -1.27 1.19 0.95 0.01 0.00 0.00 175.26 176.97 1sjd s THR 295 N -3.14 1.86 0.66 3.63 -4.23 -1.26 -4.62 115.64 108.53 1sjd s THR 295 Ca 0.59 0.00 0.35 0.00 -1.18 0.00 0.00 61.69 61.45 1sjd s THR 295 Cb -0.14 -2.73 0.36 0.00 1.34 0.00 0.00 72.50 71.33 1sjd s THR 295 CO 0.54 0.00 2.10 1.23 -0.54 0.00 0.00 174.62 177.95 1sjd h GLY 296 N -1.94 0.00 0.90 3.99 0.00 -1.91 0.72 103.07 104.83 1sjd h GLY 296 Ca -0.47 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 1sjd h GLY 296 CO 0.44 0.00 -0.40 1.41 0.00 0.00 0.00 176.54 177.99 1sjd h LEU 297 N 0.00 -0.95 -0.44 3.11 3.38 -1.96 0.13 115.31 118.58 1sjd h LEU 297 Ca 0.02 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 1sjd h LEU 297 Cb 0.43 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1sjd h LEU 297 CO -0.00 -0.62 -0.60 1.23 0.09 0.00 0.00 178.44 178.54 1sjd h GLY 298 N -1.24 0.65 0.09 0.83 0.00 -1.70 -3.02 103.07 98.67 1sjd h GLY 298 Ca -0.12 -0.79 0.09 0.00 0.00 0.00 0.00 47.33 46.51 1sjd h GLY 298 CO 0.19 0.71 -0.12 -0.09 0.00 0.00 0.00 176.54 177.23 1sjd h ARG 299 N 0.44 -0.01 -0.10 4.80 2.43 -0.86 0.98 114.38 122.06 1sjd h ARG 299 Ca -0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1sjd h ARG 299 Cb 1.16 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.66 1sjd h ARG 299 CO 0.11 -0.00 -0.24 0.00 -1.51 0.00 0.00 179.97 178.33 1sjd h ALA 300 N 1.44 -0.24 -0.37 2.80 0.00 -0.63 0.10 119.26 122.36 1sjd h ALA 300 Ca 0.22 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1sjd h ALA 300 Cb 0.34 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1sjd h ALA 300 CO -0.47 -0.71 0.12 0.00 0.00 0.00 0.00 179.25 178.19 1sjd h ALA 301 N 0.61 1.51 -0.16 0.00 0.00 -1.26 -2.22 119.26 117.74 1sjd h ALA 301 Ca 0.09 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1sjd h ALA 301 Cb 0.45 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1sjd h ALA 301 CO -0.29 0.37 -0.61 -0.91 0.00 0.00 0.00 179.25 177.81 1sjd h ASN 302 N 0.53 0.62 -0.48 0.00 2.35 -0.24 -1.33 115.58 117.03 1sjd h ASN 302 Ca 0.13 -0.35 -0.04 0.00 -0.55 0.00 0.00 56.30 55.49 1sjd h ASN 302 Cb 0.16 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1sjd h ASN 302 CO -0.01 1.08 0.15 0.58 -1.65 0.00 0.00 177.43 177.58 1sjd h VAL 303 N 0.41 1.23 0.00 2.81 2.07 -0.33 0.17 116.25 122.61 1sjd h VAL 303 Ca -0.01 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 66.78 1sjd h VAL 303 Cb 1.17 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 1sjd h VAL 303 CO 0.11 0.28 -0.23 0.00 0.02 0.00 0.00 177.57 177.75 1sjd h ALA 304 N 1.00 -0.30 -0.37 1.67 0.00 -1.28 -2.73 119.26 117.26 1sjd h ALA 304 Ca 0.15 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1sjd h ALA 304 Cb 0.28 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1sjd h ALA 304 CO -0.00 -0.73 0.22 1.25 0.00 0.00 0.00 179.25 179.99 1sjd h LEU 305 N -0.36 0.35 -1.24 0.00 5.85 -0.98 -1.77 115.31 117.16 1sjd h LEU 305 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1sjd h LEU 305 Cb 0.44 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1sjd h LEU 305 CO -0.20 0.26 0.07 0.00 -0.34 0.00 0.00 178.44 178.22 1sjd n ALA 306 N -2.23 0.94 1.42 1.25 0.00 0.58 -1.47 120.51 121.00 1sjd n ALA 306 Ca 0.00 0.17 0.08 0.00 0.00 0.00 0.00 53.44 53.70 1sjd n ALA 306 Cb 0.05 -1.18 0.34 0.00 0.00 0.00 0.00 19.45 18.67 1sjd n ALA 306 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sjd n SER 307 N -2.17 1.15 -4.81 0.00 3.41 -0.67 -4.69 113.62 105.85 1sjd n SER 307 Ca -0.01 -1.72 -0.32 0.00 -0.26 0.00 0.00 58.87 56.55 1sjd n SER 307 Cb 0.10 -0.10 0.02 0.00 -0.26 0.00 0.00 64.21 63.98 1sjd n SER 307 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1sjd s LEU 308 N -1.41 3.37 0.33 1.04 1.02 -0.54 -1.68 118.68 120.82 1sjd s LEU 308 Ca 0.26 1.75 0.07 0.00 0.02 0.00 0.00 54.13 56.23 1sjd s LEU 308 Cb 0.14 -4.52 0.74 0.00 0.02 0.00 0.00 46.19 42.57 1sjd s LEU 308 CO 0.21 -1.27 1.85 -0.65 0.02 0.00 0.00 176.35 176.50 1sjd h PRO 309 N 0.03 0.76 -0.03 1.29 0.11 -1.89 -2.57 132.00 129.70 1sjd h PRO 309 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1sjd h PRO 309 Cb 1.22 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1sjd h PRO 309 CO 0.57 0.50 0.00 -1.71 -0.21 0.00 0.00 178.00 177.15 1sjd n ASN 310 N -4.60 1.78 -4.33 -2.05 5.15 -1.26 -4.55 115.26 105.40 1sjd n ASN 310 Ca 0.19 -1.60 -0.38 0.00 -0.60 0.00 0.00 54.58 52.18 1sjd n ASN 310 Cb 0.46 -0.01 -0.03 0.00 -0.53 0.00 0.00 39.78 39.67 1sjd n ASN 310 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1sjd n PHE 311 N 0.40 3.57 1.60 1.20 3.01 -0.97 -2.34 117.46 123.92 1sjd n PHE 311 Ca 0.18 -2.32 0.14 0.00 1.01 0.00 0.00 57.45 56.46 1sjd n PHE 311 Cb 0.40 -2.51 0.60 0.00 -0.01 0.00 0.00 39.48 37.96 1sjd n PHE 311 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1sjd n THR 312 N 6.58 0.02 -4.15 4.37 -2.24 -1.03 -4.85 114.28 112.97 1sjd n THR 312 Ca 0.48 -0.20 -0.16 0.00 -2.27 0.00 0.00 64.05 61.90 1sjd n THR 312 Cb 0.44 0.26 -0.12 0.00 -2.10 0.00 0.00 70.33 68.82 1sjd n THR 312 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1sjd s LEU 313 N -1.96 2.31 0.40 3.22 1.02 -1.24 -5.04 118.68 117.40 1sjd s LEU 313 Ca 0.39 -0.66 -0.27 0.00 0.02 0.00 0.00 54.13 53.62 1sjd s LEU 313 Cb 0.21 -0.40 -0.10 0.00 0.02 0.00 0.00 46.19 45.92 1sjd s LEU 313 CO 0.33 -0.15 1.40 -0.81 0.02 0.00 0.00 176.35 177.14 1sjd n PRO 314 N 1.10 2.32 -3.58 1.29 -0.04 -1.26 -4.59 135.00 130.24 1sjd n PRO 314 Ca -0.20 0.82 -0.23 0.00 -0.04 0.00 0.00 63.50 63.85 1sjd n PRO 314 Cb 0.55 -2.55 0.01 0.00 -0.04 0.00 0.00 33.50 31.47 1sjd n PRO 314 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1sjd s GLY 315 N -0.34 2.15 -1.42 0.55 0.00 -1.24 -4.69 107.32 102.33 1sjd s GLY 315 Ca 0.57 -1.62 -0.09 0.00 0.00 0.00 0.00 44.72 43.58 1sjd s GLY 315 CO 0.61 -1.82 3.02 1.22 0.00 0.00 0.00 173.10 176.12 1sjd n ASP 316 N -1.86 8.26 -3.56 1.64 8.00 0.18 -1.62 116.55 127.59 1sjd n ASP 316 Ca 0.04 -2.55 -0.30 0.00 0.71 0.00 0.00 54.79 52.69 1sjd n ASP 316 Cb 0.63 -1.53 -0.07 0.00 -0.02 0.00 0.00 41.12 40.14 1sjd n ASP 316 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1sjd n THR 317 N 3.47 2.85 -1.67 -3.53 -2.24 -1.26 -3.67 114.28 108.23 1sjd n THR 317 Ca 0.74 -5.33 -0.29 0.00 -2.27 0.00 0.00 64.05 56.90 1sjd n THR 317 Cb 0.31 -2.11 0.12 0.00 -2.10 0.00 0.00 70.33 66.55 1sjd n THR 317 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1sjd s SER 318 N -2.26 3.88 0.68 3.42 0.01 -1.26 -4.67 113.70 113.49 1sjd s SER 318 Ca 0.37 0.89 -0.12 0.00 1.31 0.00 0.00 55.95 58.40 1sjd s SER 318 Cb 0.12 -1.43 0.00 0.00 0.21 0.00 0.00 66.02 64.92 1sjd s SER 318 CO -0.00 -2.31 1.07 0.00 0.41 0.00 0.00 173.24 172.40 1sjd s ALA 319 N -3.39 2.63 0.23 1.44 0.00 -1.26 -4.91 121.76 116.49 1sjd s ALA 319 Ca 0.63 0.23 -0.17 0.00 0.00 0.00 0.00 51.96 52.65 1sjd s ALA 319 Cb -0.13 -3.21 0.25 0.00 0.00 0.00 0.00 23.12 20.02 1sjd s ALA 319 CO 0.52 -1.19 1.52 0.43 0.00 0.00 0.00 175.76 177.04 1sjd n SER 320 N -2.83 -0.62 0.00 0.00 7.64 -0.81 -0.65 113.62 116.35 1sjd n SER 320 Ca 0.08 1.70 0.03 0.00 1.01 0.00 0.00 58.87 61.70 1sjd n SER 320 Cb 0.53 -0.40 0.17 0.00 -1.01 0.00 0.00 64.21 63.50 1sjd n SER 320 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1sjd n ASP 321 N -5.45 0.00 0.25 6.43 5.68 -1.23 -1.83 116.55 120.41 1sjd n ASP 321 Ca 0.10 0.22 0.12 0.00 -0.50 0.00 0.00 54.79 54.73 1sjd n ASP 321 Cb 0.40 -0.30 0.67 0.00 -1.14 0.00 0.00 41.12 40.75 1sjd n ASP 321 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1sjd h ARG 322 N 0.00 0.00 0.00 0.11 1.12 -1.24 -3.36 114.38 111.01 1sjd h ARG 322 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1sjd h ARG 322 Cb 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.03 1sjd h ARG 322 CO 0.00 0.14 -0.95 1.19 -3.11 0.00 0.00 179.97 177.25 1sjd n PHE 323 N -3.65 0.00 -4.23 2.20 3.01 -1.07 -4.85 117.46 108.87 1sjd n PHE 323 Ca -0.02 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.10 1sjd n PHE 323 Cb 0.27 0.02 -0.12 0.00 -0.01 0.00 0.00 39.48 39.63 1sjd n PHE 323 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1sjd s TYR 324 N -1.98 3.04 0.08 1.38 4.12 -0.76 0.53 117.35 123.76 1sjd s TYR 324 Ca 0.00 -0.35 -0.21 0.00 0.02 0.00 0.00 57.07 56.52 1sjd s TYR 324 Cb 0.00 -2.02 -0.11 0.00 -1.52 0.00 0.00 41.96 38.31 1sjd s TYR 324 CO 0.00 -0.12 1.63 -0.22 0.02 0.00 0.00 175.55 176.86 1sjd h LYS 325 N 7.05 0.19 -4.55 -0.62 3.64 -1.85 -3.26 116.57 117.19 1sjd h LYS 325 Ca -0.34 -0.03 -0.58 0.00 -1.27 0.00 0.00 60.65 58.43 1sjd h LYS 325 Cb 1.18 -0.03 -0.36 0.00 -0.41 0.00 0.00 32.23 32.61 1sjd h LYS 325 CO 0.62 0.27 -0.82 0.99 -2.27 0.00 0.00 179.45 178.24 1sjd s THR 326 N -5.62 1.42 0.33 1.00 2.01 -1.26 -4.87 115.64 108.65 1sjd s THR 326 Ca -0.14 -0.54 -0.06 0.00 0.31 0.00 0.00 61.69 61.27 1sjd s THR 326 Cb 0.06 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 71.16 1sjd s THR 326 CO 0.69 0.43 0.62 -0.62 -0.69 0.00 0.00 174.62 175.06 1sjd s ASP 327 N 1.55 6.44 0.00 3.53 -1.08 -1.26 -4.99 116.67 120.85 1sjd s ASP 327 Ca 0.05 0.81 0.27 0.00 -0.52 0.00 0.00 52.55 53.16 1sjd s ASP 327 Cb -0.13 -2.19 0.93 0.00 -1.46 0.00 0.00 42.92 40.07 1sjd s ASP 327 CO -0.10 -0.28 1.71 2.30 0.52 0.00 0.00 175.17 179.32 1sjd n ILE 328 N -1.18 0.00 -4.73 4.11 -5.35 -1.26 -4.79 119.36 106.15 1sjd n ILE 328 Ca -0.01 -0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.15 1sjd n ILE 328 Cb 0.54 -0.18 -0.07 0.00 -1.74 0.00 0.00 39.64 38.19 1sjd n ILE 328 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1sjd s THR 329 N -2.99 0.99 0.28 7.28 -4.23 -1.26 0.12 115.64 115.83 1sjd s THR 329 Ca 0.13 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.34 1sjd s THR 329 Cb 0.18 -2.12 -0.12 0.00 1.34 0.00 0.00 72.50 71.79 1sjd s THR 329 CO 0.60 0.00 1.57 1.21 -0.54 0.00 0.00 174.62 177.46 1sjd n GLU 330 N -1.23 2.59 -0.76 3.99 4.07 -1.26 -4.91 120.64 123.12 1sjd n GLU 330 Ca -0.18 0.92 -0.30 0.00 -0.06 0.00 0.00 57.16 57.54 1sjd n GLU 330 Cb 0.67 -2.69 0.19 0.00 -0.06 0.00 0.00 31.44 29.55 1sjd n GLU 330 CO 0.00 0.00 0.00 -2.14 -0.06 0.00 0.00 177.13 174.93 1sjd s PRO 331 N -0.47 0.40 -0.23 5.31 0.02 -1.26 -4.92 135.00 133.84 1sjd s PRO 331 Ca 0.65 1.13 -0.08 0.00 0.02 0.00 0.00 61.00 62.72 1sjd s PRO 331 Cb -0.52 -1.69 -0.04 0.00 0.02 0.00 0.00 34.50 32.28 1sjd s PRO 331 CO 0.49 -2.92 0.09 -0.06 -0.33 0.00 0.00 177.00 174.27 1sjd s PHE 332 N -2.65 3.18 -0.11 6.54 0.40 -1.26 -4.96 117.98 119.13 1sjd s PHE 332 Ca 0.66 -0.11 0.03 0.00 -0.60 0.00 0.00 56.93 56.91 1sjd s PHE 332 Cb -0.22 -2.20 -0.01 0.00 0.51 0.00 0.00 43.02 41.10 1sjd s PHE 332 CO 0.60 -0.11 -0.20 0.08 0.70 0.00 0.00 175.22 176.29 1sjd s VAL 333 N 1.14 2.44 -0.14 -0.44 1.01 -1.26 -1.93 120.40 121.22 1sjd s VAL 333 Ca 0.05 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 1sjd s VAL 333 Cb -0.14 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1sjd s VAL 333 CO 0.04 0.55 1.59 -0.22 0.00 0.00 0.00 175.10 177.05 1sjd s LEU 334 N 0.27 4.13 -0.41 3.92 2.96 -1.26 -4.73 118.68 123.55 1sjd s LEU 334 Ca -0.14 1.92 0.03 0.00 -0.22 0.00 0.00 54.13 55.72 1sjd s LEU 334 Cb -0.17 -3.53 0.11 0.00 0.50 0.00 0.00 46.19 43.10 1sjd s LEU 334 CO 0.07 -1.04 0.15 -0.55 -1.32 0.00 0.00 176.35 173.67 1sjd s SER 335 N 3.53 4.40 -0.60 3.68 0.15 -0.39 -4.71 113.70 119.76 1sjd s SER 335 Ca 0.70 -2.47 -0.02 0.00 0.70 0.00 0.00 55.95 54.85 1sjd s SER 335 Cb -0.28 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.54 1sjd s SER 335 CO 0.27 -0.32 0.33 0.61 1.20 0.00 0.00 173.24 175.33 1sjd n GLY 336 N 3.81 0.25 2.23 9.45 0.00 -1.26 -3.14 105.19 116.53 1sjd n GLY 336 Ca 0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 46.02 45.67 1sjd n GLY 336 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sjd n GLY 337 N -1.07 0.50 3.42 -0.02 0.00 -1.25 -4.99 105.19 101.76 1sjd n GLY 337 Ca -0.03 -0.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 1sjd n GLY 337 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sjd s HIS 338 N -1.87 1.87 0.01 1.61 3.76 -1.19 -0.23 115.29 119.24 1sjd s HIS 338 Ca 0.00 -0.98 0.05 0.00 -0.15 0.00 0.00 55.06 53.98 1sjd s HIS 338 Cb 0.00 -1.19 -0.02 0.00 1.11 0.00 0.00 32.58 32.49 1sjd s HIS 338 CO 0.00 -0.04 -0.17 -0.51 -0.85 0.00 0.00 174.74 173.17 1sjd s LEU 339 N -3.44 2.09 0.09 0.89 1.02 0.67 -1.26 118.68 118.74 1sjd s LEU 339 Ca 0.36 -0.38 -0.27 0.00 0.02 0.00 0.00 54.13 53.86 1sjd s LEU 339 Cb 0.08 -0.81 -0.06 0.00 0.02 0.00 0.00 46.19 45.42 1sjd s LEU 339 CO 0.15 0.15 0.86 -2.16 0.02 0.00 0.00 176.35 175.37 1sjd s PRO 340 N -0.71 4.61 -0.01 1.29 0.04 -1.26 -0.93 135.00 138.03 1sjd s PRO 340 Ca 0.05 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.06 1sjd s PRO 340 Cb -0.07 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1sjd s PRO 340 CO 0.00 0.29 1.15 0.08 0.04 0.00 0.00 177.00 178.56 1sjd s VAL 341 N -0.17 4.31 0.73 -0.36 1.01 0.49 -4.95 120.40 121.47 1sjd s VAL 341 Ca 0.42 1.65 -0.16 0.00 0.00 0.00 0.00 61.98 63.89 1sjd s VAL 341 Cb -0.22 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.12 1sjd s VAL 341 CO 0.27 0.07 1.03 -2.65 0.00 0.00 0.00 175.10 173.81 1sjd n PRO 342 N 4.50 0.50 -0.02 2.72 -0.02 -1.26 -4.94 135.00 136.47 1sjd n PRO 342 Ca 0.09 0.23 0.01 0.00 -2.02 0.00 0.00 63.50 61.81 1sjd n PRO 342 Cb 0.47 -2.28 -0.07 0.00 -0.02 0.00 0.00 33.50 31.61 1sjd n PRO 342 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1sjd n THR 343 N -2.60 0.25 -0.89 3.45 -2.24 -1.26 -4.82 114.28 106.16 1sjd n THR 343 Ca 0.13 -0.26 -0.30 0.00 -2.27 0.00 0.00 64.05 61.35 1sjd n THR 343 Cb 0.49 -0.19 0.26 0.00 -2.10 0.00 0.00 70.33 68.79 1sjd n THR 343 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1sjd s GLY 344 N -3.44 1.54 0.76 3.38 0.00 -1.26 -4.78 107.32 103.52 1sjd s GLY 344 Ca -0.04 -0.95 -0.12 0.00 0.00 0.00 0.00 44.72 43.62 1sjd s GLY 344 CO 0.34 -0.01 1.10 -4.14 0.00 0.00 0.00 173.10 170.40 1sjd s PRO 345 N -5.35 2.27 5.07 2.90 0.01 -1.26 -3.97 135.00 134.67 1sjd s PRO 345 Ca 0.71 1.28 0.00 0.00 0.01 0.00 0.00 61.00 62.99 1sjd s PRO 345 Cb -0.10 -1.89 0.00 0.00 0.01 0.00 0.00 34.50 32.52 1sjd s PRO 345 CO 0.56 -1.65 0.00 0.41 0.01 0.00 0.00 177.00 176.33 1sjd n GLY 346 N -0.86 2.64 0.28 0.52 0.00 0.56 -1.93 105.19 106.40 1sjd n GLY 346 Ca 0.10 -0.37 0.14 0.00 0.00 0.00 0.00 46.02 45.88 1sjd n GLY 346 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sjd h LEU 347 N 0.00 0.00 0.00 0.99 3.38 -1.85 -0.27 115.31 117.57 1sjd h LEU 347 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sjd h LEU 347 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1sjd h LEU 347 CO 0.00 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.17 1sjd n GLY 348 N -1.20 0.64 3.16 0.83 0.00 -0.81 -4.68 105.19 103.14 1sjd n GLY 348 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 1sjd n GLY 348 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sjd s VAL 349 N -2.51 0.16 -0.07 1.61 1.01 -1.26 -4.58 120.40 114.75 1sjd s VAL 349 Ca 0.00 -1.31 -0.26 0.00 0.00 0.00 0.00 61.98 60.40 1sjd s VAL 349 Cb 0.00 -1.31 0.06 0.00 0.00 0.00 0.00 36.38 35.13 1sjd s VAL 349 CO 0.00 -0.73 0.60 0.00 0.00 0.00 0.00 175.10 174.97 1sjd s ALA 350 N -3.67 -1.54 0.56 5.51 0.00 -1.26 -5.03 121.76 116.33 1sjd s ALA 350 Ca 0.04 1.20 -0.20 0.00 0.00 0.00 0.00 51.96 53.00 1sjd s ALA 350 Cb 0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1sjd s ALA 350 CO -0.10 -0.34 1.23 -2.14 0.00 0.00 0.00 175.76 174.41 1sjd s PRO 351 N -0.97 3.13 -0.73 0.00 0.02 -1.26 -4.39 135.00 130.81 1sjd s PRO 351 Ca -0.10 1.89 -0.17 0.00 0.02 0.00 0.00 61.00 62.64 1sjd s PRO 351 Cb -0.02 -2.07 0.15 0.00 0.02 0.00 0.00 34.50 32.58 1sjd s PRO 351 CO 0.07 -1.09 0.79 0.42 -0.33 0.00 0.00 177.00 176.86 1sjd s ILE 352 N -1.53 5.09 0.07 2.83 1.01 0.31 -4.92 121.20 124.06 1sjd s ILE 352 Ca 0.74 -1.62 -0.11 0.00 0.00 0.00 0.00 60.65 59.66 1sjd s ILE 352 Cb -0.32 -4.53 0.01 0.00 0.01 0.00 0.00 42.46 37.63 1sjd s ILE 352 CO 0.36 -1.15 0.62 -2.65 0.00 0.00 0.00 174.94 172.12 1sjd n PRO 353 N 5.54 -0.15 -0.40 2.79 -0.02 -1.26 0.23 135.00 141.73 1sjd n PRO 353 Ca 0.04 0.61 -0.09 0.00 -2.02 0.00 0.00 63.50 62.04 1sjd n PRO 353 Cb 0.45 -0.90 -0.07 0.00 -0.02 0.00 0.00 33.50 32.95 1sjd n PRO 353 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1sjd h GLU 354 N 0.00 -0.02 -0.50 -0.52 5.08 -1.96 0.60 114.58 117.26 1sjd h GLU 354 Ca 0.09 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1sjd h GLU 354 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1sjd h GLU 354 CO -0.39 -0.01 0.06 -0.07 -1.00 0.00 0.00 179.01 177.60 1sjd h LEU 355 N -0.02 0.82 0.64 1.33 3.38 0.26 -2.56 115.31 119.16 1sjd h LEU 355 Ca 0.19 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1sjd h LEU 355 Cb 0.45 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1sjd h LEU 355 CO -0.93 0.89 -0.40 0.25 0.09 0.00 0.00 178.44 178.33 1sjd h LEU 356 N 0.72 -1.01 -1.76 1.67 6.46 0.18 -2.44 115.31 119.12 1sjd h LEU 356 Ca 0.15 0.06 0.25 0.00 -0.12 0.00 0.00 57.88 58.22 1sjd h LEU 356 Cb 0.43 0.30 -0.05 0.00 -0.73 0.00 0.00 40.66 40.61 1sjd h LEU 356 CO 0.01 -0.62 0.65 0.44 -0.62 0.00 0.00 178.44 178.31 1sjd h ASP 357 N -0.98 0.18 0.25 1.25 3.32 0.09 1.14 116.42 121.67 1sjd h ASP 357 Ca -0.08 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 1sjd h ASP 357 Cb 0.80 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 1sjd h ASP 357 CO 0.07 0.06 -0.10 -0.33 -1.72 0.00 0.00 179.24 177.22 1sjd h GLU 358 N 0.17 0.00 -0.02 3.56 5.08 -1.00 -3.16 114.58 119.21 1sjd h GLU 358 Ca 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1sjd h GLU 358 Cb 1.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.83 1sjd h GLU 358 CO -0.10 0.10 0.00 1.33 -1.00 0.00 0.00 179.01 179.34 1sjd n VAL 359 N -3.79 0.07 -2.55 3.13 0.24 0.38 -5.00 118.33 110.81 1sjd n VAL 359 Ca -0.02 -0.53 -0.42 0.00 -2.04 0.00 0.00 64.34 61.33 1sjd n VAL 359 Cb 0.20 1.06 -0.03 0.00 -1.47 0.00 0.00 33.84 33.60 1sjd n VAL 359 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1sjd s THR 360 N -0.45 4.24 -0.09 3.34 2.01 -0.46 -1.32 115.64 122.92 1sjd s THR 360 Ca 0.06 1.71 0.10 0.00 0.31 0.00 0.00 61.69 63.87 1sjd s THR 360 Cb 0.04 -4.09 -0.15 0.00 0.01 0.00 0.00 72.50 68.31 1sjd s THR 360 CO 0.06 0.19 0.09 0.35 -0.69 0.00 0.00 174.62 174.62 1sjd n THR 361 N 3.39 0.58 -3.67 -0.82 -2.24 0.16 -4.96 114.28 106.72 1sjd n THR 361 Ca 0.06 -0.42 -0.12 0.00 -2.27 0.00 0.00 64.05 61.30 1sjd n THR 361 Cb 0.48 -0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 68.16 1sjd n THR 361 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sjd s ALA 362 N -2.40 -0.91 -0.18 6.98 0.00 -1.22 -4.96 121.76 119.07 1sjd s ALA 362 Ca -0.05 0.12 -0.22 0.00 0.00 0.00 0.00 51.96 51.80 1sjd s ALA 362 Cb 0.04 0.46 0.06 0.00 0.00 0.00 0.00 23.12 23.68 1sjd s ALA 362 CO 0.46 -0.51 0.59 0.21 0.00 0.00 0.00 175.76 176.51 1sjd s LYS 363 N -2.98 0.76 -0.14 0.00 2.20 -1.26 -0.65 119.74 117.67 1sjd s LYS 363 Ca -0.02 0.67 -0.19 0.00 -0.36 0.00 0.00 55.97 56.07 1sjd s LYS 363 Cb 0.00 0.37 0.05 0.00 -1.51 0.00 0.00 37.83 36.74 1sjd s LYS 363 CO -0.06 -0.13 0.49 0.54 -0.36 0.00 0.00 175.35 175.83 1sjd s VAL 364 N -0.05 0.01 -0.13 4.02 0.11 -0.55 -4.99 120.40 118.81 1sjd s VAL 364 Ca -0.03 -0.08 -0.06 0.00 -2.93 0.00 0.00 61.98 58.89 1sjd s VAL 364 Cb -0.04 -0.72 -0.04 0.00 -1.53 0.00 0.00 36.38 34.05 1sjd s VAL 364 CO 0.03 -0.04 0.08 0.86 -3.33 0.00 0.00 175.10 172.69 1sjd s TRP 365 N -0.17 3.36 -0.24 1.54 -0.11 -1.26 -0.39 118.94 121.67 1sjd s TRP 365 Ca -0.04 0.28 0.00 0.00 1.22 0.00 0.00 56.10 57.57 1sjd s TRP 365 Cb -0.03 -1.95 0.07 0.00 -1.50 0.00 0.00 33.47 30.05 1sjd s TRP 365 CO 0.02 0.46 -0.01 0.42 -4.62 0.00 0.00 176.95 173.22 1sjd s ILE 366 N -0.48 1.34 0.00 5.86 1.09 0.63 -4.99 121.20 124.65 1sjd s ILE 366 Ca 0.10 -1.21 0.00 0.00 -1.10 0.00 0.00 60.65 58.44 1sjd s ILE 366 Cb -0.12 -1.72 0.00 0.00 -1.06 0.00 0.00 42.46 39.57 1sjd s ILE 366 CO 0.02 -0.22 0.00 0.61 -0.10 0.00 0.00 174.94 175.25