#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrl n LYS 2 N 0.00 2.90 -2.86 0.03 4.76 -1.26 -4.83 118.16 116.89 2jrl n LYS 2 Ca 0.00 -1.82 -0.40 0.00 -2.87 0.00 0.00 58.31 53.21 2jrl n LYS 2 Cb 0.00 -2.62 -0.05 0.00 -1.84 0.00 0.00 35.03 30.52 2jrl n LYS 2 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2jrl s ARG 3 N 2.76 4.58 -0.04 1.97 0.52 -1.26 -1.92 118.95 125.57 2jrl s ARG 3 Ca 0.55 1.24 -0.13 0.00 -0.52 0.00 0.00 55.73 56.87 2jrl s ARG 3 Cb 0.14 -3.37 0.02 0.00 0.52 0.00 0.00 34.95 32.26 2jrl s ARG 3 CO -0.05 0.24 0.30 0.14 0.02 0.00 0.00 175.30 175.95 2jrl s VAL 4 N 0.03 0.05 -0.16 3.52 -7.23 -1.06 -3.57 120.40 111.97 2jrl s VAL 4 Ca 0.43 -0.38 -0.00 0.00 -1.81 0.00 0.00 61.98 60.22 2jrl s VAL 4 Cb -0.22 -0.56 0.04 0.00 0.56 0.00 0.00 36.38 36.20 2jrl s VAL 4 CO 0.26 -0.21 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.54 2jrl s LEU 5 N -0.96 1.71 -0.39 1.32 2.96 -1.23 -2.87 118.68 119.22 2jrl s LEU 5 Ca -0.10 -0.62 -0.17 0.00 -0.22 0.00 0.00 54.13 53.02 2jrl s LEU 5 Cb -0.05 -1.02 0.01 0.00 0.50 0.00 0.00 46.19 45.63 2jrl s LEU 5 CO 0.03 -0.14 0.43 -0.69 -1.32 0.00 0.00 176.35 174.66 2jrl s VAL 6 N 1.56 5.10 -0.38 1.68 1.01 0.05 -1.31 120.40 128.11 2jrl s VAL 6 Ca 0.02 -0.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.67 2jrl s VAL 6 Cb -0.15 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.27 2jrl s VAL 6 CO -0.08 -0.31 0.53 -0.69 0.00 0.00 0.00 175.10 174.55 2jrl s VAL 7 N 2.15 4.99 -0.29 2.92 1.01 0.19 -2.47 120.40 128.90 2jrl s VAL 7 Ca 0.13 0.18 -0.15 0.00 0.00 0.00 0.00 61.98 62.14 2jrl s VAL 7 Cb -0.17 -4.03 0.11 0.00 0.00 0.00 0.00 36.38 32.30 2jrl s VAL 7 CO 0.13 -0.33 0.78 -0.62 0.00 0.00 0.00 175.10 175.06 2jrl s ASP 8 N 1.82 -0.85 0.00 3.32 2.15 0.05 -2.72 116.67 120.44 2jrl s ASP 8 Ca 0.18 1.30 0.04 0.00 0.43 0.00 0.00 52.55 54.51 2jrl s ASP 8 Cb -0.15 1.55 0.25 0.00 -0.30 0.00 0.00 42.92 44.27 2jrl s ASP 8 CO 0.15 -0.20 0.78 -0.90 -0.17 0.00 0.00 175.17 174.83 2jrl n ASP 9 N 4.45 0.00 -4.20 -0.34 5.75 -1.24 -4.30 116.55 116.68 2jrl n ASP 9 Ca -0.17 -0.99 -0.40 0.00 -0.01 0.00 0.00 54.79 53.21 2jrl n ASP 9 Cb 0.56 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.60 2jrl n ASP 9 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2jrl s GLU 10 N -2.00 3.30 0.62 0.11 2.56 -1.26 -4.89 118.70 117.14 2jrl s GLU 10 Ca 0.06 -2.84 0.32 0.00 0.00 0.00 0.00 54.97 52.51 2jrl s GLU 10 Cb 0.03 -4.10 1.81 0.00 2.00 0.00 0.00 34.13 33.86 2jrl s GLU 10 CO 0.05 -1.24 2.12 1.49 -0.56 0.00 0.00 175.26 177.12 2jrl h GLU 11 N 6.87 0.00 -0.48 4.30 4.81 -1.98 -0.58 114.58 127.51 2jrl h GLU 11 Ca 0.10 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 2jrl h GLU 11 Cb 0.92 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 2jrl h GLU 11 CO 0.81 0.00 -0.12 0.77 -0.73 0.00 0.00 179.01 179.73 2jrl h SER 12 N 0.00 0.94 0.11 1.04 0.02 -1.95 -2.24 113.55 111.48 2jrl h SER 12 Ca 0.05 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 2jrl h SER 12 Cb 0.43 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2jrl h SER 12 CO -0.00 1.08 -0.05 0.40 -1.14 0.00 0.00 176.83 177.12 2jrl h ILE 13 N 0.78 0.45 -1.13 3.27 1.08 -1.55 -3.29 117.51 117.11 2jrl h ILE 13 Ca 0.12 -1.15 0.32 0.00 -0.39 0.00 0.00 64.86 63.75 2jrl h ILE 13 Cb 0.68 0.81 -0.08 0.00 -3.07 0.00 0.00 36.82 35.16 2jrl h ILE 13 CO 0.05 0.14 0.77 0.71 -0.69 0.00 0.00 178.15 179.12 2jrl h THR 14 N -1.00 0.43 -0.50 -0.27 1.35 -1.48 0.23 112.91 111.67 2jrl h THR 14 Ca -0.02 -0.07 0.01 0.00 -0.55 0.00 0.00 66.41 65.78 2jrl h THR 14 Cb 0.34 0.21 -0.03 0.00 -1.73 0.00 0.00 68.15 66.95 2jrl h THR 14 CO 0.03 0.04 0.33 -1.28 -0.25 0.00 0.00 175.52 174.38 2jrl h SER 15 N 0.20 0.56 0.16 5.36 0.87 -1.48 0.15 113.55 119.38 2jrl h SER 15 Ca 0.61 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 61.15 2jrl h SER 15 Cb 1.93 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.76 2jrl h SER 15 CO -0.19 0.40 -0.08 -1.28 -0.53 0.00 0.00 176.83 175.15 2jrl h SER 16 N 0.66 -0.19 -0.10 6.23 0.87 -0.65 -2.88 113.55 117.50 2jrl h SER 16 Ca 0.19 -0.35 0.03 0.00 -1.23 0.00 0.00 61.79 60.42 2jrl h SER 16 Cb -0.06 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2jrl h SER 16 CO -0.05 0.32 0.14 -0.07 -0.53 0.00 0.00 176.83 176.64 2jrl h LEU 17 N -0.77 0.00 -0.33 2.23 4.07 -1.27 0.75 115.31 119.99 2jrl h LEU 17 Ca -0.02 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.77 2jrl h LEU 17 Cb 0.52 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 2jrl h LEU 17 CO 0.04 0.00 -0.78 0.28 -1.08 0.00 0.00 178.44 176.90 2jrl h SER 18 N 0.00 0.00 -0.17 -0.43 0.02 -0.62 -2.54 113.55 109.82 2jrl h SER 18 Ca 0.05 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 2jrl h SER 18 Cb 0.32 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 2jrl h SER 18 CO -0.00 0.78 -0.11 0.00 -1.14 0.00 0.00 176.83 176.36 2jrl h ALA 19 N 1.22 0.24 -0.21 3.77 0.00 -0.63 -1.65 119.26 122.00 2jrl h ALA 19 Ca -0.01 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 2jrl h ALA 19 Cb 1.44 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2jrl h ALA 19 CO 0.10 0.08 -0.43 0.82 0.00 0.00 0.00 179.25 179.83 2jrl h ILE 20 N 0.03 1.31 0.02 0.00 1.08 -1.58 -2.47 117.51 115.90 2jrl h ILE 20 Ca 0.03 -1.60 -0.00 0.00 -0.39 0.00 0.00 64.86 62.90 2jrl h ILE 20 Cb 0.61 1.61 0.00 0.00 -3.07 0.00 0.00 36.82 35.97 2jrl h ILE 20 CO 0.03 0.50 -0.01 0.25 -0.69 0.00 0.00 178.15 178.23 2jrl h LEU 21 N 0.42 -0.02 -2.23 1.44 5.85 -1.43 -2.68 115.31 116.65 2jrl h LEU 21 Ca 0.03 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 2jrl h LEU 21 Cb 0.92 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 2jrl h LEU 21 CO 0.08 0.26 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.07 2jrl h GLU 22 N -0.31 0.00 -0.28 1.25 5.08 -1.30 -1.26 114.58 117.76 2jrl h GLU 22 Ca -0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 2jrl h GLU 22 Cb 0.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2jrl h GLU 22 CO 0.00 0.04 -0.48 1.49 -1.00 0.00 0.00 179.01 179.06 2jrl h GLU 23 N 0.00 0.82 0.00 2.33 4.81 -1.12 -2.79 114.58 118.63 2jrl h GLU 23 Ca -0.00 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2jrl h GLU 23 Cb 0.23 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2jrl h GLU 23 CO 0.01 1.14 0.00 0.39 -0.73 0.00 0.00 179.01 179.82 2jrl n GLU 24 N -4.08 0.89 -0.04 1.92 -0.58 -0.91 -4.83 120.64 113.02 2jrl n GLU 24 Ca -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 2jrl n GLU 24 Cb 0.59 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 30.11 2jrl n GLU 24 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jrl n GLY 25 N 0.67 0.72 3.74 0.62 0.00 -1.05 -5.06 105.19 104.83 2jrl n GLY 25 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2jrl n GLY 25 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jrl s TYR 26 N -2.28 2.38 -0.57 1.61 2.02 -0.52 -4.81 117.35 115.18 2jrl s TYR 26 Ca 0.00 1.01 0.04 0.00 -0.37 0.00 0.00 57.07 57.74 2jrl s TYR 26 Cb 0.00 -3.27 0.14 0.00 -0.40 0.00 0.00 41.96 38.43 2jrl s TYR 26 CO 0.00 -2.48 0.32 -1.01 -1.57 0.00 0.00 175.55 170.81 2jrl s HIS 27 N -3.09 3.27 0.51 2.71 3.76 -0.81 -3.60 115.29 118.05 2jrl s HIS 27 Ca 0.64 -3.17 -0.21 0.00 -0.15 0.00 0.00 55.06 52.17 2jrl s HIS 27 Cb -0.17 -2.84 -0.07 0.00 1.11 0.00 0.00 32.58 30.62 2jrl s HIS 27 CO 0.56 -0.72 1.14 -1.25 -0.85 0.00 0.00 174.74 173.62 2jrl s PRO 28 N -0.49 3.53 0.15 8.40 0.04 -1.26 -2.56 135.00 142.81 2jrl s PRO 28 Ca 0.18 1.68 0.02 0.00 0.04 0.00 0.00 61.00 62.92 2jrl s PRO 28 Cb -0.22 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 2jrl s PRO 28 CO -0.03 -0.72 -0.03 0.34 0.04 0.00 0.00 177.00 176.59 2jrl s ASP 29 N -1.60 1.30 0.00 6.66 -1.08 -1.14 -4.92 116.67 115.90 2jrl s ASP 29 Ca 0.69 -1.10 0.05 0.00 -0.52 0.00 0.00 52.55 51.66 2jrl s ASP 29 Cb -0.26 0.09 -0.01 0.00 -1.46 0.00 0.00 42.92 41.28 2jrl s ASP 29 CO 0.30 -0.50 -0.14 0.42 0.52 0.00 0.00 175.17 175.77 2jrl s THR 30 N -3.59 1.12 -0.09 1.71 -4.23 -1.22 -0.77 115.64 108.57 2jrl s THR 30 Ca 0.20 -0.72 -0.04 0.00 -1.18 0.00 0.00 61.69 59.95 2jrl s THR 30 Cb 0.05 -0.96 0.05 0.00 1.34 0.00 0.00 72.50 72.98 2jrl s THR 30 CO 0.01 0.23 0.18 0.00 -0.54 0.00 0.00 174.62 174.50 2jrl s ALA 31 N -0.47 -0.28 -0.74 3.99 0.00 -1.03 -4.95 121.76 118.28 2jrl s ALA 31 Ca 0.04 0.68 0.25 0.00 0.00 0.00 0.00 51.96 52.93 2jrl s ALA 31 Cb -0.06 -0.71 0.46 0.00 0.00 0.00 0.00 23.12 22.81 2jrl s ALA 31 CO -0.00 -0.41 1.40 0.36 0.00 0.00 0.00 175.76 177.11 2jrl n LYS 32 N 4.88 0.21 -3.86 0.00 0.00 -1.26 -0.77 118.16 117.36 2jrl n LYS 32 Ca -0.14 0.07 -0.12 0.00 -0.00 0.00 0.00 58.31 58.12 2jrl n LYS 32 Cb 0.51 -1.64 -0.14 0.00 -0.00 0.00 0.00 35.03 33.75 2jrl n LYS 32 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2jrl s THR 33 N -3.12 -0.00 0.03 0.58 -4.23 -1.26 -4.57 115.64 103.07 2jrl s THR 33 Ca 0.08 0.01 -0.28 0.00 -1.18 0.00 0.00 61.69 60.32 2jrl s THR 33 Cb 0.15 -0.03 -0.17 0.00 1.34 0.00 0.00 72.50 73.78 2jrl s THR 33 CO 0.70 0.00 1.37 -0.07 -0.54 0.00 0.00 174.62 176.08 2jrl h LEU 34 N 6.18 -0.56 -0.99 4.79 -0.00 -1.94 -2.93 115.31 119.86 2jrl h LEU 34 Ca -0.25 -0.06 0.32 0.00 -0.00 0.00 0.00 57.88 57.89 2jrl h LEU 34 Cb 1.21 0.14 -0.18 0.00 -0.00 0.00 0.00 40.66 41.83 2jrl h LEU 34 CO 0.50 -0.26 0.24 0.08 -0.00 0.00 0.00 178.44 179.00 2jrl h ARG 35 N -0.86 0.03 -0.83 1.13 -0.00 -1.99 1.29 114.38 113.16 2jrl h ARG 35 Ca -0.07 -0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.87 2jrl h ARG 35 Cb 0.58 -0.01 -0.04 0.00 -0.00 0.00 0.00 29.97 30.51 2jrl h ARG 35 CO 0.11 0.02 0.37 1.49 -0.00 0.00 0.00 179.97 181.96 2jrl h GLU 36 N 0.03 1.21 0.00 0.08 4.57 -1.97 -1.85 114.58 116.65 2jrl h GLU 36 Ca 0.69 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.66 2jrl h GLU 36 Cb 1.59 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 29.97 2jrl h GLU 36 CO -0.84 0.95 -0.04 0.00 -1.18 0.00 0.00 179.01 177.89 2jrl h ALA 37 N 1.21 0.99 -0.01 2.92 0.00 0.17 -3.02 119.26 121.51 2jrl h ALA 37 Ca 0.28 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.89 2jrl h ALA 37 Cb 0.16 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.97 2jrl h ALA 37 CO -0.03 0.05 -1.03 0.93 0.00 0.00 0.00 179.25 179.17 2jrl h GLU 38 N 0.00 0.69 -0.09 0.00 5.08 0.09 -1.16 114.58 119.20 2jrl h GLU 38 Ca -0.00 -0.74 -0.02 0.00 -1.00 0.00 0.00 59.36 57.61 2jrl h GLU 38 Cb 0.76 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 2jrl h GLU 38 CO 0.01 1.31 -0.01 -0.22 -1.00 0.00 0.00 179.01 179.10 2jrl h LYS 39 N 0.40 0.16 -0.05 2.33 1.63 -1.38 -2.44 116.57 117.21 2jrl h LYS 39 Ca -0.12 -0.06 -0.11 0.00 -0.85 0.00 0.00 60.65 59.51 2jrl h LYS 39 Cb 1.68 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 33.28 2jrl h LYS 39 CO 0.20 0.46 -0.46 1.57 -3.45 0.00 0.00 179.45 177.77 2jrl h LYS 40 N -0.15 0.11 -0.42 1.90 2.10 -1.63 -2.70 116.57 115.79 2jrl h LYS 40 Ca 0.02 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.59 2jrl h LYS 40 Cb 0.39 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.71 2jrl h LYS 40 CO 0.01 0.56 0.19 0.82 -2.00 0.00 0.00 179.45 179.02 2jrl h ILE 41 N 0.09 1.19 -0.02 0.07 2.04 -1.11 -1.72 117.51 118.05 2jrl h ILE 41 Ca 0.00 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.31 2jrl h ILE 41 Cb 0.86 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2jrl h ILE 41 CO 0.07 0.21 0.00 0.29 0.00 0.00 0.00 178.15 178.71 2jrl n LYS 42 N -4.65 1.15 -0.02 2.37 5.02 -0.93 -2.98 118.16 118.11 2jrl n LYS 42 Ca 0.00 -0.22 0.06 0.00 -2.02 0.00 0.00 58.31 56.14 2jrl n LYS 42 Cb 0.13 -1.40 0.07 0.00 -0.02 0.00 0.00 35.03 33.80 2jrl n LYS 42 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2jrl n GLU 43 N -0.65 0.98 -3.79 1.97 0.28 -0.71 -5.02 120.64 113.71 2jrl n GLU 43 Ca 0.19 -1.35 -0.09 0.00 -0.16 0.00 0.00 57.16 55.75 2jrl n GLU 43 Cb 0.14 -1.25 -0.03 0.00 1.43 0.00 0.00 31.44 31.73 2jrl n GLU 43 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 2jrl s LEU 44 N -1.04 -0.00 -0.27 -1.84 -0.00 -0.86 -5.04 118.68 109.62 2jrl s LEU 44 Ca 0.16 -0.56 -0.13 0.00 -0.00 0.00 0.00 54.13 53.61 2jrl s LEU 44 Cb 0.11 2.25 -0.04 0.00 -0.00 0.00 0.00 46.19 48.50 2jrl s LEU 44 CO 0.16 -1.13 0.28 0.12 -0.00 0.00 0.00 176.35 175.78 2jrl s PHE 45 N -3.90 3.24 -0.15 3.48 2.19 -1.26 -4.78 117.98 116.79 2jrl s PHE 45 Ca 0.11 0.27 0.00 0.00 0.33 0.00 0.00 56.93 57.65 2jrl s PHE 45 Cb -0.02 -2.47 0.02 0.00 -1.31 0.00 0.00 43.02 39.24 2jrl s PHE 45 CO 0.01 -0.18 -0.15 -0.59 1.83 0.00 0.00 175.22 176.13 2jrl s PHE 46 N 1.88 2.27 -0.02 10.12 -0.71 -1.26 -4.97 117.98 125.29 2jrl s PHE 46 Ca 0.11 -1.29 -0.23 0.00 -1.04 0.00 0.00 56.93 54.48 2jrl s PHE 46 Cb -0.16 -1.65 -0.16 0.00 -1.21 0.00 0.00 43.02 39.84 2jrl s PHE 46 CO 0.10 -0.69 1.07 -1.00 -1.34 0.00 0.00 175.22 173.36 2jrl h PRO 47 N 8.02 -0.28 -4.61 1.99 0.13 -1.88 -3.45 132.00 131.91 2jrl h PRO 47 Ca -0.39 0.02 -0.42 0.00 -0.87 0.00 0.00 66.00 64.33 2jrl h PRO 47 Cb 1.14 0.06 -0.30 0.00 0.13 0.00 0.00 31.00 32.03 2jrl h PRO 47 CO 0.55 0.09 -0.79 0.14 -0.23 0.00 0.00 178.00 177.77 2jrl s VAL 48 N -4.06 0.76 0.03 1.56 -7.23 -1.23 -3.01 120.40 107.22 2jrl s VAL 48 Ca -0.14 -0.36 0.03 0.00 -1.81 0.00 0.00 61.98 59.70 2jrl s VAL 48 Cb 0.01 -0.67 -0.02 0.00 0.56 0.00 0.00 36.38 36.26 2jrl s VAL 48 CO 0.52 0.24 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.83 2jrl s ILE 49 N 0.12 0.64 -0.16 -0.62 1.01 -0.93 -3.54 121.20 117.72 2jrl s ILE 49 Ca -0.02 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 59.80 2jrl s ILE 49 Cb -0.08 -0.63 -0.00 0.00 0.01 0.00 0.00 42.46 41.76 2jrl s ILE 49 CO 0.00 -0.16 -0.14 -0.69 0.00 0.00 0.00 174.94 173.96 2jrl s VAL 50 N -0.91 2.82 -0.14 2.92 1.01 -0.43 -0.05 120.40 125.61 2jrl s VAL 50 Ca -0.04 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 2jrl s VAL 50 Cb -0.07 -2.20 0.05 0.00 0.00 0.00 0.00 36.38 34.15 2jrl s VAL 50 CO 0.00 0.51 0.02 -0.22 0.00 0.00 0.00 175.10 175.41 2jrl s LEU 51 N 0.80 0.92 0.92 3.92 2.96 -0.56 0.54 118.68 128.18 2jrl s LEU 51 Ca -0.05 -0.52 -0.12 0.00 -0.22 0.00 0.00 54.13 53.22 2jrl s LEU 51 Cb -0.15 -0.53 0.14 0.00 0.50 0.00 0.00 46.19 46.15 2jrl s LEU 51 CO 0.00 -0.26 1.10 -0.62 -1.32 0.00 0.00 176.35 175.25 2jrl s ASP 52 N 1.91 3.34 -0.14 3.68 2.15 -1.10 -3.32 116.67 123.18 2jrl s ASP 52 Ca 0.02 1.28 -0.29 0.00 0.43 0.00 0.00 52.55 53.99 2jrl s ASP 52 Cb -0.15 -1.95 -0.26 0.00 -0.30 0.00 0.00 42.92 40.26 2jrl s ASP 52 CO -0.07 -2.69 0.76 0.58 -0.17 0.00 0.00 175.17 173.58 2jrl h VAL 53 N -1.59 1.79 -0.11 1.11 2.07 -0.39 -3.34 116.25 115.78 2jrl h VAL 53 Ca -0.51 -2.35 -0.00 0.00 0.82 0.00 0.00 66.70 64.66 2jrl h VAL 53 Cb 1.30 3.38 -0.00 0.00 -1.52 0.00 0.00 31.29 34.46 2jrl h VAL 53 CO 0.57 0.61 0.04 1.87 0.02 0.00 0.00 177.57 180.68 2jrl n TRP 54 N -4.61 0.91 -4.65 1.57 -0.00 -1.26 -3.54 117.44 105.86 2jrl n TRP 54 Ca -0.10 -0.14 -0.30 0.00 -0.00 0.00 0.00 57.50 56.96 2jrl n TRP 54 Cb 0.48 -2.56 -0.13 0.00 -0.00 0.00 0.00 31.31 29.11 2jrl n TRP 54 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 177.69 176.05 2jrl s MET 55 N 8.53 1.89 -0.02 5.87 -1.94 -1.26 -4.63 119.30 127.73 2jrl s MET 55 Ca 0.82 -1.08 -0.26 0.00 -1.71 0.00 0.00 55.69 53.46 2jrl s MET 55 Cb -0.06 -2.09 -0.20 0.00 2.01 0.00 0.00 34.83 34.48 2jrl s MET 55 CO 0.17 0.51 1.27 -1.00 -0.01 0.00 0.00 175.02 175.97 2jrl h PRO 56 N 4.43 0.02 0.31 2.03 0.13 -1.89 -3.33 132.00 133.69 2jrl h PRO 56 Ca -0.48 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2jrl h PRO 56 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2jrl h PRO 56 CO 0.45 0.50 -0.15 0.22 -0.23 0.00 0.00 178.00 178.79 2jrl h ASP 57 N -0.46 -0.35 -3.92 1.44 1.82 -1.97 -3.48 116.42 109.50 2jrl h ASP 57 Ca 0.00 -0.10 0.21 0.00 -0.39 0.00 0.00 57.03 56.75 2jrl h ASP 57 Cb 0.50 0.09 -0.22 0.00 0.68 0.00 0.00 39.33 40.38 2jrl h ASP 57 CO 0.00 -0.11 0.79 -0.83 -1.61 0.00 0.00 179.24 177.48 2jrl s GLY 58 N -2.45 -0.19 0.88 -0.78 0.00 -1.25 -5.10 107.32 98.43 2jrl s GLY 58 Ca -0.15 2.01 -0.16 0.00 0.00 0.00 0.00 44.72 46.41 2jrl s GLY 58 CO 0.60 0.78 -0.34 1.22 0.00 0.00 0.00 173.10 175.37 2jrl n ASP 59 N 0.23 -4.43 0.03 1.64 8.00 -1.26 -4.47 116.55 116.28 2jrl n ASP 59 Ca -0.02 0.33 -0.16 0.00 0.71 0.00 0.00 54.79 55.65 2jrl n ASP 59 Cb 0.58 -0.90 -0.14 0.00 -0.02 0.00 0.00 41.12 40.64 2jrl n ASP 59 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2jrl h GLY 60 N -0.86 0.22 0.02 0.44 0.00 -1.68 -3.27 103.07 97.92 2jrl h GLY 60 Ca -0.44 -0.56 0.21 0.00 0.00 0.00 0.00 47.33 46.54 2jrl h GLY 60 CO 0.30 0.49 0.58 -0.24 0.00 0.00 0.00 176.54 177.68 2jrl h VAL 61 N 0.05 0.63 0.00 4.60 3.04 -1.90 0.28 116.25 122.95 2jrl h VAL 61 Ca -0.29 -0.23 -0.14 0.00 -1.01 0.00 0.00 66.70 65.03 2jrl h VAL 61 Cb 2.02 -0.10 -0.02 0.00 -2.01 0.00 0.00 31.29 31.18 2jrl h VAL 61 CO 0.12 0.12 -0.64 -1.13 -1.01 0.00 0.00 177.57 175.03 2jrl h ASN 62 N 0.67 0.00 -0.47 3.17 -0.73 -1.95 -3.23 115.58 113.04 2jrl h ASN 62 Ca 0.60 0.00 0.04 0.00 1.87 0.00 0.00 56.30 58.81 2jrl h ASN 62 Cb 1.01 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.58 2jrl h ASN 62 CO -0.42 0.64 0.32 0.15 -0.37 0.00 0.00 177.43 177.75 2jrl h PHE 63 N 0.00 0.46 -0.64 0.67 3.57 -0.50 -2.25 116.94 118.25 2jrl h PHE 63 Ca -0.01 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.62 2jrl h PHE 63 Cb 1.42 -0.15 -0.09 0.00 2.79 0.00 0.00 35.95 39.92 2jrl h PHE 63 CO 0.00 0.26 0.18 0.82 -2.23 0.00 0.00 178.31 177.35 2jrl h ILE 64 N 0.48 0.66 -0.95 1.41 2.04 -1.50 -1.49 117.51 118.16 2jrl h ILE 64 Ca 0.20 -0.11 0.27 0.00 1.00 0.00 0.00 64.86 66.22 2jrl h ILE 64 Cb 0.19 0.31 -0.18 0.00 -0.74 0.00 0.00 36.82 36.40 2jrl h ILE 64 CO -0.05 0.06 0.05 -0.67 0.00 0.00 0.00 178.15 177.54 2jrl n ASP 65 N -5.08 -0.08 -0.10 1.72 -0.08 -0.85 0.98 116.55 113.06 2jrl n ASP 65 Ca 0.10 1.60 -0.10 0.00 -1.51 0.00 0.00 54.79 54.89 2jrl n ASP 65 Cb 0.34 -0.60 -0.03 0.00 2.34 0.00 0.00 41.12 43.18 2jrl n ASP 65 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2jrl h PHE 66 N 0.00 0.49 0.30 -0.67 3.57 -1.43 -2.55 116.94 116.65 2jrl h PHE 66 Ca 0.59 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 62.02 2jrl h PHE 66 Cb 1.24 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.84 2jrl h PHE 66 CO -0.45 0.51 -0.15 0.82 -2.23 0.00 0.00 178.31 176.81 2jrl h ILE 67 N 0.33 0.69 0.00 1.41 2.04 0.67 -1.07 117.51 121.58 2jrl h ILE 67 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 2jrl h ILE 67 Cb 0.25 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2jrl h ILE 67 CO -0.00 0.00 0.03 0.29 0.00 0.00 0.00 178.15 178.47 2jrl n LYS 68 N -5.27 0.09 0.00 2.37 4.76 0.40 0.14 118.16 120.65 2jrl n LYS 68 Ca -0.10 0.58 -0.22 0.00 -2.87 0.00 0.00 58.31 55.70 2jrl n LYS 68 Cb 0.19 -1.81 -0.14 0.00 -1.84 0.00 0.00 35.03 31.43 2jrl n LYS 68 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2jrl h GLU 69 N 0.00 0.26 -0.26 1.97 4.81 -0.80 -3.32 114.58 117.24 2jrl h GLU 69 Ca 0.00 -0.44 -0.09 0.00 -0.13 0.00 0.00 59.36 58.69 2jrl h GLU 69 Cb 0.06 0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.54 2jrl h GLU 69 CO 0.00 1.21 -0.08 0.27 -0.73 0.00 0.00 179.01 179.68 2jrl n ASN 70 N -3.55 2.77 0.00 1.04 0.23 -0.48 -4.78 115.26 110.49 2jrl n ASN 70 Ca -0.32 -3.50 0.00 0.00 -0.53 0.00 0.00 54.58 50.23 2jrl n ASN 70 Cb 1.03 -0.58 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 2jrl n ASN 70 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2jrl n SER 71 N -1.00 0.00 -0.11 0.53 7.64 0.36 -4.99 113.62 116.06 2jrl n SER 71 Ca 0.27 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.02 2jrl n SER 71 Cb 0.92 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.09 2jrl n SER 71 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2jrl h PRO 72 N 0.00 0.84 0.00 1.43 0.13 -1.66 -2.81 132.00 129.93 2jrl h PRO 72 Ca 0.00 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2jrl h PRO 72 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 2jrl h PRO 72 CO 0.00 1.08 0.00 -0.25 -0.23 0.00 0.00 178.00 178.60 2jrl n ASP 73 N -4.15 0.00 -4.83 1.44 9.92 -1.26 -4.78 116.55 112.89 2jrl n ASP 73 Ca -0.03 0.10 -0.32 0.00 -0.53 0.00 0.00 54.79 54.01 2jrl n ASP 73 Cb 0.52 -0.32 -0.02 0.00 -0.64 0.00 0.00 41.12 40.65 2jrl n ASP 73 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2jrl s SER 74 N -2.64 6.35 -0.10 -2.24 1.04 -1.06 -4.93 113.70 110.11 2jrl s SER 74 Ca 0.16 1.68 0.02 0.00 0.48 0.00 0.00 55.95 58.29 2jrl s SER 74 Cb 0.12 -2.52 0.01 0.00 0.10 0.00 0.00 66.02 63.74 2jrl s SER 74 CO 0.29 -0.77 -0.16 0.54 0.98 0.00 0.00 173.24 174.12 2jrl s VAL 75 N -2.51 1.51 0.07 5.02 0.11 -1.16 -5.00 120.40 118.44 2jrl s VAL 75 Ca 0.61 -0.66 0.09 0.00 -2.93 0.00 0.00 61.98 59.10 2jrl s VAL 75 Cb -0.12 -1.37 -0.03 0.00 -1.53 0.00 0.00 36.38 33.33 2jrl s VAL 75 CO 0.31 0.44 -0.25 -0.69 -3.33 0.00 0.00 175.10 171.59 2jrl s VAL 76 N 0.91 2.02 -0.22 2.04 1.01 -1.10 -2.19 120.40 122.87 2jrl s VAL 76 Ca -0.08 -1.46 -0.07 0.00 0.00 0.00 0.00 61.98 60.37 2jrl s VAL 76 Cb -0.15 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 2jrl s VAL 76 CO -0.00 0.22 0.06 -0.63 0.00 0.00 0.00 175.10 174.74 2jrl s ILE 77 N -0.91 4.42 -0.23 2.22 1.09 0.93 -1.47 121.20 127.26 2jrl s ILE 77 Ca 0.11 -0.15 -0.14 0.00 -1.10 0.00 0.00 60.65 59.38 2jrl s ILE 77 Cb -0.10 -3.03 -0.04 0.00 -1.06 0.00 0.00 42.46 38.23 2jrl s ILE 77 CO 0.03 0.40 0.30 -0.69 -0.10 0.00 0.00 174.94 174.88 2jrl s VAL 78 N 1.06 5.26 0.09 2.92 1.01 -1.18 -1.50 120.40 128.06 2jrl s VAL 78 Ca 0.04 0.47 0.07 0.00 0.00 0.00 0.00 61.98 62.56 2jrl s VAL 78 Cb -0.14 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2jrl s VAL 78 CO 0.03 0.26 -0.18 0.27 0.00 0.00 0.00 175.10 175.49 2jrl s ILE 79 N 1.40 1.46 0.08 2.22 -4.36 -1.21 -3.31 121.20 117.48 2jrl s ILE 79 Ca 0.14 -1.48 -0.14 0.00 -0.26 0.00 0.00 60.65 58.91 2jrl s ILE 79 Cb -0.15 -1.38 0.02 0.00 1.25 0.00 0.00 42.46 42.21 2jrl s ILE 79 CO 0.07 -0.16 0.33 0.28 0.24 0.00 0.00 174.94 175.71 2jrl s THR 80 N -1.30 0.09 -0.29 8.37 -1.32 -1.13 0.43 115.64 120.49 2jrl s THR 80 Ca 0.04 -0.71 0.15 0.00 -1.21 0.00 0.00 61.69 59.95 2jrl s THR 80 Cb -0.10 -1.11 -0.20 0.00 -1.51 0.00 0.00 72.50 69.58 2jrl s THR 80 CO 0.03 -0.39 0.44 0.61 -2.21 0.00 0.00 174.62 173.10 2jrl n GLY 81 N 0.12 -0.54 0.15 6.08 0.00 -1.26 0.05 105.19 109.78 2jrl n GLY 81 Ca -0.17 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.51 2jrl n GLY 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2jrl h HIS 82 N 0.00 0.00 -2.56 1.61 3.86 -2.00 -3.43 115.15 112.63 2jrl h HIS 82 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2jrl h HIS 82 Cb 0.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.01 2jrl h HIS 82 CO 0.00 0.49 -0.61 0.41 0.86 0.00 0.00 177.93 179.08 2jrl n GLY 83 N 0.92 -4.25 0.00 2.45 0.00 -1.26 -5.09 105.19 97.96 2jrl n GLY 83 Ca 0.01 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2jrl n GLY 83 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jrl n SER 84 N -0.44 0.00 -0.11 1.61 2.88 -1.26 -5.05 113.62 111.25 2jrl n SER 84 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 2jrl n SER 84 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2jrl n SER 84 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 2jrl h VAL 85 N 0.00 1.28 0.64 2.46 3.04 -1.98 -0.88 116.25 120.80 2jrl h VAL 85 Ca 0.00 -1.09 -0.02 0.00 -1.01 0.00 0.00 66.70 64.57 2jrl h VAL 85 Cb 0.00 1.34 -0.01 0.00 -2.01 0.00 0.00 31.29 30.62 2jrl h VAL 85 CO 0.00 0.35 -0.41 0.44 -1.01 0.00 0.00 177.57 176.95 2jrl h ASP 86 N 0.38 -1.03 0.02 3.17 3.32 -2.00 -1.30 116.42 118.98 2jrl h ASP 86 Ca 0.08 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2jrl h ASP 86 Cb 0.55 0.31 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 2jrl h ASP 86 CO 0.03 -0.62 -0.03 0.74 -1.72 0.00 0.00 179.24 177.64 2jrl h THR 87 N -0.99 1.04 0.02 0.35 2.02 -1.97 -2.64 112.91 110.74 2jrl h THR 87 Ca -0.08 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 2jrl h THR 87 Cb 0.81 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2jrl h THR 87 CO 0.07 0.05 -0.01 0.00 0.37 0.00 0.00 175.52 176.00 2jrl h ALA 88 N 1.94 -0.02 0.44 6.16 0.00 -0.67 -1.94 119.26 125.16 2jrl h ALA 88 Ca 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2jrl h ALA 88 Cb 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2jrl h ALA 88 CO 0.00 -0.42 -0.49 0.28 0.00 0.00 0.00 179.25 178.63 2jrl h VAL 89 N -0.22 0.00 -0.36 0.00 2.07 -0.88 -0.79 116.25 116.08 2jrl h VAL 89 Ca -0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 2jrl h VAL 89 Cb 0.21 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 2jrl h VAL 89 CO 0.00 0.00 0.39 0.07 0.02 0.00 0.00 177.57 178.05 2jrl h LYS 90 N -0.94 0.00 0.00 1.57 2.10 -1.57 0.78 116.57 118.50 2jrl h LYS 90 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2jrl h LYS 90 Cb 0.83 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 2jrl h LYS 90 CO -0.09 0.00 -0.13 0.00 -2.00 0.00 0.00 179.45 177.23 2jrl n ALA 91 N -2.34 2.44 0.02 0.07 0.00 -0.43 -2.94 120.51 117.34 2jrl n ALA 91 Ca 0.06 -0.08 -0.19 0.00 0.00 0.00 0.00 53.44 53.22 2jrl n ALA 91 Cb 0.55 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.45 2jrl n ALA 91 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2jrl h ILE 92 N 0.00 0.77 0.00 0.00 1.08 0.18 -2.54 117.51 117.00 2jrl h ILE 92 Ca 0.00 -2.48 0.00 0.00 -0.39 0.00 0.00 64.86 61.99 2jrl h ILE 92 Cb 0.71 2.57 0.00 0.00 -3.07 0.00 0.00 36.82 37.03 2jrl h ILE 92 CO 0.00 0.82 0.00 0.11 -0.69 0.00 0.00 178.15 178.39 2jrl h LYS 93 N 0.07 0.00 0.26 2.37 1.57 -1.50 -3.27 116.57 116.06 2jrl h LYS 93 Ca -0.37 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 2jrl h LYS 93 Cb 2.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.35 2jrl h LYS 93 CO 0.11 0.00 -0.12 -0.22 -0.57 0.00 0.00 179.45 178.65 2jrl h LYS 94 N 0.00 -0.33 0.00 3.15 1.63 -1.66 -3.47 116.57 115.89 2jrl h LYS 94 Ca 0.00 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 2jrl h LYS 94 Cb 0.74 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.44 2jrl h LYS 94 CO 0.00 -0.22 -0.01 0.41 -3.45 0.00 0.00 179.45 176.18 2jrl n GLY 95 N 0.77 -0.07 3.58 5.01 0.00 -1.24 -4.87 105.19 108.37 2jrl n GLY 95 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 2jrl n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jrl s ALA 96 N 0.00 3.53 0.10 4.61 0.00 -0.96 -2.72 121.76 126.33 2jrl s ALA 96 Ca 0.00 -1.09 0.16 0.00 0.00 0.00 0.00 51.96 51.03 2jrl s ALA 96 Cb 0.00 -2.58 0.46 0.00 0.00 0.00 0.00 23.12 21.00 2jrl s ALA 96 CO 0.00 -0.67 1.63 -0.92 0.00 0.00 0.00 175.76 175.80 2jrl h TYR 97 N 8.36 0.00 -2.10 0.00 3.20 -1.55 -3.41 116.97 121.46 2jrl h TYR 97 Ca -0.33 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.47 2jrl h TYR 97 Cb 1.18 0.00 -0.20 0.00 1.54 0.00 0.00 36.73 39.25 2jrl h TYR 97 CO 0.74 0.47 0.12 -2.00 -1.64 0.00 0.00 178.16 175.85 2jrl s GLU 98 N -3.40 0.95 -0.27 1.82 2.56 -1.26 -5.09 118.70 114.00 2jrl s GLU 98 Ca 0.01 0.45 -0.03 0.00 0.00 0.00 0.00 54.97 55.39 2jrl s GLU 98 Cb 0.10 0.45 0.03 0.00 2.00 0.00 0.00 34.13 36.71 2jrl s GLU 98 CO 0.71 -0.24 -0.01 0.12 -0.56 0.00 0.00 175.26 175.28 2jrl s PHE 99 N -0.71 3.12 -0.06 5.30 2.19 -1.26 -3.12 117.98 123.44 2jrl s PHE 99 Ca -0.08 -1.46 0.04 0.00 0.33 0.00 0.00 56.93 55.77 2jrl s PHE 99 Cb -0.02 -2.12 -0.00 0.00 -1.31 0.00 0.00 43.02 39.57 2jrl s PHE 99 CO 0.07 -0.70 -0.20 -0.51 1.83 0.00 0.00 175.22 175.71 2jrl s LEU 100 N 1.36 1.95 0.00 6.12 1.43 -1.21 -5.05 118.68 123.27 2jrl s LEU 100 Ca -0.00 -0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 52.54 2jrl s LEU 100 Cb -0.17 -1.13 0.21 0.00 0.03 0.00 0.00 46.19 45.13 2jrl s LEU 100 CO -0.02 0.16 0.56 -0.62 0.23 0.00 0.00 176.35 176.66 2jrl n GLU 101 N 3.27 -3.22 0.29 1.70 1.02 -1.26 -2.83 120.64 119.62 2jrl n GLU 101 Ca -0.19 -0.93 -0.12 0.00 -0.02 0.00 0.00 57.16 55.90 2jrl n GLU 101 Cb 0.53 -1.07 -0.06 0.00 -0.02 0.00 0.00 31.44 30.81 2jrl n GLU 101 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2jrl h LYS 102 N 0.00 -0.73 -6.46 3.49 1.79 -0.66 -3.42 116.57 110.57 2jrl h LYS 102 Ca -0.24 0.05 -0.54 0.00 -2.18 0.00 0.00 60.65 57.75 2jrl h LYS 102 Cb 0.77 0.17 0.01 0.00 -1.58 0.00 0.00 32.23 31.60 2jrl h LYS 102 CO 0.15 -0.49 0.78 -1.25 -1.08 0.00 0.00 179.45 177.56 2jrl s PRO 103 N -4.72 4.30 0.07 3.15 0.04 -1.26 -5.01 135.00 131.56 2jrl s PRO 103 Ca -0.11 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 62.75 2jrl s PRO 103 Cb 0.01 -3.41 0.05 0.00 0.04 0.00 0.00 34.50 31.19 2jrl s PRO 103 CO 0.35 -0.51 0.48 -0.59 0.04 0.00 0.00 177.00 176.77 2jrl s PHE 104 N 1.75 -0.36 0.08 0.56 -0.12 -1.26 -5.12 117.98 113.51 2jrl s PHE 104 Ca 0.65 0.30 0.04 0.00 -0.05 0.00 0.00 56.93 57.87 2jrl s PHE 104 Cb -0.34 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.32 2jrl s PHE 104 CO 0.29 -0.65 0.04 -1.12 -0.05 0.00 0.00 175.22 173.72 2jrl s SER 105 N -2.18 5.26 0.53 1.98 0.01 -1.26 -4.95 113.70 113.09 2jrl s SER 105 Ca -0.03 -0.09 0.33 0.00 1.31 0.00 0.00 55.95 57.47 2jrl s SER 105 Cb -0.00 -1.34 1.49 0.00 0.21 0.00 0.00 66.02 66.38 2jrl s SER 105 CO -0.04 0.18 1.82 1.62 0.41 0.00 0.00 173.24 177.23 2jrl h VAL 106 N 2.77 0.46 -0.34 3.43 3.04 -2.02 0.44 116.25 124.02 2jrl h VAL 106 Ca -0.47 -0.01 -0.00 0.00 -1.01 0.00 0.00 66.70 65.20 2jrl h VAL 106 Cb 1.16 0.41 -0.02 0.00 -2.01 0.00 0.00 31.29 30.84 2jrl h VAL 106 CO 0.62 0.01 0.20 -0.08 -1.01 0.00 0.00 177.57 177.31 2jrl h GLU 107 N 0.04 0.46 0.00 4.17 4.81 -1.99 0.28 114.58 122.35 2jrl h GLU 107 Ca 0.53 -0.04 -0.22 0.00 -0.13 0.00 0.00 59.36 59.49 2jrl h GLU 107 Cb 2.04 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 31.29 2jrl h GLU 107 CO -0.04 0.35 -1.26 -0.09 -0.73 0.00 0.00 179.01 177.25 2jrl h ARG 108 N 0.44 0.00 -0.03 1.92 9.65 -1.14 -3.05 114.38 122.17 2jrl h ARG 108 Ca 0.12 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 2jrl h ARG 108 Cb 0.01 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.59 2jrl h ARG 108 CO -0.02 0.67 -0.03 0.35 2.80 0.00 0.00 179.97 183.75 2jrl h PHE 109 N 0.00 0.08 -0.62 2.20 3.04 -0.14 -2.77 116.94 118.73 2jrl h PHE 109 Ca -0.13 -0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.71 2jrl h PHE 109 Cb 1.80 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 40.27 2jrl h PHE 109 CO 0.00 0.53 0.07 1.37 -2.02 0.00 0.00 178.31 178.25 2jrl h LEU 110 N -0.39 1.01 -1.85 0.59 8.10 -0.59 -2.55 115.31 119.63 2jrl h LEU 110 Ca 0.00 -0.25 0.02 0.00 0.11 0.00 0.00 57.88 57.76 2jrl h LEU 110 Cb 0.51 -0.27 -0.01 0.00 -0.44 0.00 0.00 40.66 40.45 2jrl h LEU 110 CO 0.01 1.02 0.13 0.25 -4.11 0.00 0.00 178.44 175.74 2jrl h LEU 111 N 0.97 0.17 -0.05 0.17 5.85 -1.55 -1.82 115.31 119.05 2jrl h LEU 111 Ca 0.19 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2jrl h LEU 111 Cb 0.47 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 2jrl h LEU 111 CO 0.02 0.12 0.00 0.74 -0.34 0.00 0.00 178.44 178.98 2jrl h THR 112 N 0.20 1.24 0.84 1.05 2.02 -1.16 -2.61 112.91 114.49 2jrl h THR 112 Ca 0.08 -0.74 -0.04 0.00 0.77 0.00 0.00 66.41 66.48 2jrl h THR 112 Cb 0.07 1.64 0.01 0.00 -1.74 0.00 0.00 68.15 68.13 2jrl h THR 112 CO -0.01 0.20 -0.40 0.40 0.37 0.00 0.00 175.52 176.07 2jrl h ILE 113 N -0.20 0.07 -0.93 3.11 1.08 -1.39 0.44 117.51 119.69 2jrl h ILE 113 Ca 0.01 -0.13 0.26 0.00 -0.39 0.00 0.00 64.86 64.61 2jrl h ILE 113 Cb 0.32 0.08 -0.16 0.00 -3.07 0.00 0.00 36.82 33.98 2jrl h ILE 113 CO 0.00 0.00 0.15 0.50 -0.69 0.00 0.00 178.15 178.11 2jrl h LYS 114 N -1.25 0.09 0.00 2.37 3.64 -1.43 0.91 116.57 120.89 2jrl h LYS 114 Ca -0.12 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.09 2jrl h LYS 114 Cb 0.87 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 2jrl h LYS 114 CO 0.19 0.06 -0.82 0.45 -2.27 0.00 0.00 179.45 177.05 2jrl h HIS 115 N 0.09 0.00 -0.79 1.91 3.86 -1.35 -3.21 115.15 115.66 2jrl h HIS 115 Ca 0.59 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.93 2jrl h HIS 115 Cb 1.23 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.61 2jrl h HIS 115 CO -0.36 0.82 0.38 0.00 0.86 0.00 0.00 177.93 179.63 2jrl h ALA 116 N 1.18 1.15 0.24 2.45 0.00 0.56 -0.16 119.26 124.67 2jrl h ALA 116 Ca -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2jrl h ALA 116 Cb 1.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2jrl h ALA 116 CO 0.11 -0.11 -0.11 0.74 0.00 0.00 0.00 179.25 179.87 2jrl h PHE 117 N 0.57 -0.30 -1.05 0.00 -1.00 -1.49 -2.52 116.94 111.15 2jrl h PHE 117 Ca 0.42 -0.01 0.40 0.00 2.81 0.00 0.00 57.97 61.60 2jrl h PHE 117 Cb 0.58 0.10 -0.17 0.00 3.61 0.00 0.00 35.95 40.07 2jrl h PHE 117 CO -0.12 -0.18 0.59 0.93 -1.61 0.00 0.00 178.31 177.92 2jrl h GLU 118 N -0.80 0.08 0.37 1.51 5.08 -1.53 0.17 114.58 119.46 2jrl h GLU 118 Ca -0.03 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2jrl h GLU 118 Cb 0.24 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2jrl h GLU 118 CO 0.05 0.05 -0.18 1.49 -1.00 0.00 0.00 179.01 179.43 2jrl h GLU 119 N 0.08 -0.48 -1.05 2.33 4.57 -1.09 -3.14 114.58 115.80 2jrl h GLU 119 Ca 0.82 0.03 0.28 0.00 -1.18 0.00 0.00 59.36 59.31 2jrl h GLU 119 Cb 2.18 0.11 -0.10 0.00 -0.16 0.00 0.00 28.75 30.78 2jrl h GLU 119 CO -0.69 -0.17 0.67 -0.92 -1.18 0.00 0.00 179.01 176.72 2jrl h TYR 120 N -0.92 0.70 0.00 0.92 3.20 -0.27 -3.52 116.97 117.07 2jrl h TYR 120 Ca -0.05 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.84 2jrl h TYR 120 Cb 0.54 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.61 2jrl h TYR 120 CO 0.03 0.04 0.00 -1.13 -1.64 0.00 0.00 178.16 175.46