#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 2.22 -2.63 2.12 4.76 -1.26 -4.77 118.16 118.59 2jrl n LYS 2 Ca 0.00 -2.09 -0.41 0.00 -2.87 0.00 0.00 58.31 52.94 2jrl n LYS 2 Cb 0.00 -1.98 -0.04 0.00 -1.84 0.00 0.00 35.03 31.16 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 -1.70 4.68 -0.11 1.97 0.52 -1.26 -1.51 118.95 121.55 2jrl s ARG 3 Ca 0.51 1.58 -0.09 0.00 -0.52 0.00 0.00 55.73 57.21 2jrl s ARG 3 Cb 0.34 -3.31 0.03 0.00 0.52 0.00 0.00 34.95 32.53 2jrl s ARG 3 CO -0.15 0.21 0.27 0.08 0.02 0.00 0.00 175.30 175.73 2jrl s VAL 4 N -0.34 -0.01 -0.23 3.52 1.01 -0.91 -3.58 120.40 119.86 2jrl s VAL 4 Ca 0.47 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.50 2jrl s VAL 4 Cb -0.27 -0.39 0.04 0.00 0.00 0.00 0.00 36.38 35.76 2jrl s VAL 4 CO 0.33 0.01 -0.13 -0.22 0.00 0.00 0.00 175.10 175.09 2jrl s LEU 5 N 0.41 2.97 -0.43 3.92 2.96 -1.23 -2.01 118.68 125.27 2jrl s LEU 5 Ca -0.02 -1.08 -0.18 0.00 -0.22 0.00 0.00 54.13 52.63 2jrl s LEU 5 Cb -0.04 -1.54 0.03 0.00 0.50 0.00 0.00 46.19 45.14 2jrl s LEU 5 CO -0.02 -0.12 0.49 -0.69 -1.32 0.00 0.00 176.35 174.69 2jrl s VAL 6 N 1.19 5.03 -0.37 1.68 1.01 0.39 -0.50 120.40 128.83 2jrl s VAL 6 Ca -0.03 -0.30 -0.17 0.00 0.00 0.00 0.00 61.98 61.48 2jrl s VAL 6 Cb -0.17 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2jrl s VAL 6 CO -0.08 -0.49 0.44 -0.69 0.00 0.00 0.00 175.10 174.28 2jrl s VAL 7 N 2.29 5.08 -0.29 2.92 1.01 0.19 -2.46 120.40 129.14 2jrl s VAL 7 Ca 0.14 0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.99 2jrl s VAL 7 Cb -0.17 -3.95 0.11 0.00 0.00 0.00 0.00 36.38 32.38 2jrl s VAL 7 CO 0.14 -0.25 0.79 -0.62 0.00 0.00 0.00 175.10 175.16 2jrl s ASP 8 N 1.78 -0.82 0.00 3.32 2.15 -0.34 -2.82 116.67 119.94 2jrl s ASP 8 Ca 0.14 1.26 0.00 0.00 0.43 0.00 0.00 52.55 54.39 2jrl s ASP 8 Cb -0.16 1.51 0.00 0.00 -0.30 0.00 0.00 42.92 43.97 2jrl s ASP 8 CO 0.13 -0.19 0.49 -0.90 -0.17 0.00 0.00 175.17 174.53 2jrl n ASP 9 N 4.38 0.05 -4.07 -0.34 5.75 -1.26 -4.25 116.55 116.81 2jrl n ASP 9 Ca -0.17 -1.03 -0.35 0.00 -0.01 0.00 0.00 54.79 53.23 2jrl n ASP 9 Cb 0.56 -0.03 -0.09 0.00 -1.03 0.00 0.00 41.12 40.54 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 -1.90 2.74 0.64 0.11 2.56 -1.26 -4.91 118.70 116.68 2jrl s GLU 10 Ca 0.00 -2.85 0.33 0.00 0.00 0.00 0.00 54.97 52.45 2jrl s GLU 10 Cb 0.00 -3.75 1.79 0.00 2.00 0.00 0.00 34.13 34.17 2jrl s GLU 10 CO 0.00 -1.21 2.06 1.49 -0.56 0.00 0.00 175.26 177.05 2jrl h GLU 11 N 6.52 0.00 -0.50 4.30 4.57 -2.00 -0.34 114.58 127.14 2jrl h GLU 11 Ca 0.05 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.15 2jrl h GLU 11 Cb 0.89 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.46 2jrl h GLU 11 CO 0.75 0.00 -0.02 1.03 -1.18 0.00 0.00 179.01 179.60 2jrl h SER 12 N 0.00 0.88 0.13 1.04 0.87 -1.94 -1.65 113.55 112.87 2jrl h SER 12 Ca 0.05 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.29 2jrl h SER 12 Cb 0.53 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2jrl h SER 12 CO -0.00 0.98 -0.06 0.40 -0.53 0.00 0.00 176.83 177.62 2jrl h ILE 13 N 0.75 0.48 -1.02 2.23 1.08 -1.48 -3.26 117.51 116.28 2jrl h ILE 13 Ca 0.14 -1.15 0.26 0.00 -0.39 0.00 0.00 64.86 63.72 2jrl h ILE 13 Cb 0.54 0.86 -0.09 0.00 -3.07 0.00 0.00 36.82 35.06 2jrl h ILE 13 CO 0.03 0.15 0.66 0.71 -0.69 0.00 0.00 178.15 179.01 2jrl h THR 14 N -1.00 0.55 -0.97 -0.27 1.35 -1.53 0.25 112.91 111.30 2jrl h THR 14 Ca -0.02 -0.13 0.01 0.00 -0.55 0.00 0.00 66.41 65.72 2jrl h THR 14 Cb 0.37 0.13 -0.05 0.00 -1.73 0.00 0.00 68.15 66.87 2jrl h THR 14 CO 0.03 0.07 0.64 -1.28 -0.25 0.00 0.00 175.52 174.73 2jrl h SER 15 N 0.39 1.10 0.09 5.36 0.87 -1.38 0.15 113.55 120.12 2jrl h SER 15 Ca 0.57 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 61.10 2jrl h SER 15 Cb 1.47 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2jrl h SER 15 CO -0.26 0.79 -0.04 0.28 -0.53 0.00 0.00 176.83 177.06 2jrl h SER 16 N 1.29 -0.10 -0.13 6.23 0.02 -0.61 -3.09 113.55 117.16 2jrl h SER 16 Ca 0.36 -0.44 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2jrl h SER 16 Cb -0.12 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2jrl h SER 16 CO -0.09 0.56 0.18 -0.07 -1.14 0.00 0.00 176.83 176.28 2jrl h LEU 17 N -0.93 0.00 -0.37 5.07 4.07 -1.13 0.13 115.31 122.15 2jrl h LEU 17 Ca -0.01 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.79 2jrl h LEU 17 Cb 0.54 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 2jrl h LEU 17 CO 0.02 0.00 -0.76 0.28 -1.08 0.00 0.00 178.44 176.89 2jrl h SER 18 N 0.00 0.00 -0.27 -0.43 0.02 -0.74 -2.55 113.55 109.59 2jrl h SER 18 Ca 0.06 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 2jrl h SER 18 Cb 0.43 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 2jrl h SER 18 CO -0.00 0.76 -0.13 0.00 -1.14 0.00 0.00 176.83 176.32 2jrl h ALA 19 N 1.24 0.38 -0.10 3.77 0.00 -0.66 -1.83 119.26 122.05 2jrl h ALA 19 Ca -0.01 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 2jrl h ALA 19 Cb 1.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2jrl h ALA 19 CO 0.10 0.25 -0.58 0.82 0.00 0.00 0.00 179.25 179.84 2jrl h ILE 20 N 0.29 1.36 -0.13 0.00 1.08 -1.57 -2.70 117.51 115.85 2jrl h ILE 20 Ca 0.06 -1.89 -0.02 0.00 -0.39 0.00 0.00 64.86 62.62 2jrl h ILE 20 Cb 0.64 1.92 -0.00 0.00 -3.07 0.00 0.00 36.82 36.30 2jrl h ILE 20 CO 0.04 0.57 0.00 0.25 -0.69 0.00 0.00 178.15 178.32 2jrl h LEU 21 N 0.25 0.22 -2.00 1.44 5.85 -1.40 -2.67 115.31 117.00 2jrl h LEU 21 Ca -0.00 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 2jrl h LEU 21 Cb 1.08 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 2jrl h LEU 21 CO 0.09 0.47 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.53 2jrl h GLU 22 N -0.04 0.00 -0.19 1.25 4.22 -1.34 -0.68 114.58 117.79 2jrl h GLU 22 Ca 0.04 0.00 -0.15 0.00 0.08 0.00 0.00 59.36 59.33 2jrl h GLU 22 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2jrl h GLU 22 CO 0.01 0.06 -0.47 1.49 -2.18 0.00 0.00 179.01 177.92 2jrl h GLU 23 N 0.00 0.66 0.00 1.92 4.81 -1.15 -2.89 114.58 117.93 2jrl h GLU 23 Ca -0.00 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2jrl h GLU 23 Cb 0.33 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2jrl h GLU 23 CO 0.01 1.07 0.00 0.39 -0.73 0.00 0.00 179.01 179.75 2jrl n GLU 24 N -4.18 0.80 -0.03 1.92 -0.58 -1.01 -4.83 120.64 112.72 2jrl n GLU 24 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 2jrl n GLU 24 Cb 0.58 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 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 0.57 0.51 3.76 0.62 0.00 -1.09 -5.06 105.19 104.50 2jrl n GLY 25 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.20 2.52 -0.61 1.61 2.02 -0.29 -4.86 117.35 115.54 2jrl s TYR 26 Ca 0.00 1.11 0.00 0.00 -0.37 0.00 0.00 57.07 57.81 2jrl s TYR 26 Cb 0.00 -3.20 0.15 0.00 -0.40 0.00 0.00 41.96 38.51 2jrl s TYR 26 CO 0.00 -2.22 0.40 -1.01 -1.57 0.00 0.00 175.55 171.15 2jrl s HIS 27 N -3.09 3.35 0.43 2.71 3.76 -0.57 -3.55 115.29 118.33 2jrl s HIS 27 Ca 0.63 -2.94 -0.24 0.00 -0.15 0.00 0.00 55.06 52.35 2jrl s HIS 27 Cb -0.16 -3.03 -0.08 0.00 1.11 0.00 0.00 32.58 30.41 2jrl s HIS 27 CO 0.55 -0.78 1.18 -1.25 -0.85 0.00 0.00 174.74 173.59 2jrl s PRO 28 N -0.31 3.92 0.16 8.40 0.04 -1.25 -2.13 135.00 143.82 2jrl s PRO 28 Ca 0.18 1.84 0.03 0.00 0.04 0.00 0.00 61.00 63.09 2jrl s PRO 28 Cb -0.21 -2.57 -0.05 0.00 0.04 0.00 0.00 34.50 31.72 2jrl s PRO 28 CO -0.03 -0.43 -0.05 -0.51 0.04 0.00 0.00 177.00 176.01 2jrl s ASP 29 N -1.20 1.55 0.04 6.66 1.11 -0.85 -4.93 116.67 119.04 2jrl s ASP 29 Ca 0.60 -1.09 0.06 0.00 0.18 0.00 0.00 52.55 52.30 2jrl s ASP 29 Cb -0.30 0.04 -0.02 0.00 1.07 0.00 0.00 42.92 43.71 2jrl s ASP 29 CO 0.38 -0.45 -0.17 0.42 1.18 0.00 0.00 175.17 176.53 2jrl s THR 30 N -3.48 1.37 -0.19 -1.27 -4.23 -1.24 -0.46 115.64 106.14 2jrl s THR 30 Ca 0.20 -1.05 -0.07 0.00 -1.18 0.00 0.00 61.69 59.59 2jrl s THR 30 Cb 0.04 -1.20 0.09 0.00 1.34 0.00 0.00 72.50 72.77 2jrl s THR 30 CO 0.02 0.13 0.42 0.00 -0.54 0.00 0.00 174.62 174.65 2jrl s ALA 31 N -0.77 -1.13 -0.94 3.99 0.00 -1.03 -4.93 121.76 116.95 2jrl s ALA 31 Ca 0.05 1.50 0.25 0.00 0.00 0.00 0.00 51.96 53.76 2jrl s ALA 31 Cb -0.08 -1.26 0.47 0.00 0.00 0.00 0.00 23.12 22.25 2jrl s ALA 31 CO 0.01 -0.68 1.39 0.36 0.00 0.00 0.00 175.76 176.84 2jrl n LYS 32 N 5.21 0.05 -3.92 0.00 0.00 -1.26 -1.20 118.16 117.05 2jrl n LYS 32 Ca -0.11 0.01 -0.13 0.00 -0.00 0.00 0.00 58.31 58.08 2jrl n LYS 32 Cb 0.50 -1.53 -0.14 0.00 -0.00 0.00 0.00 35.03 33.86 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 -3.03 0.09 0.02 0.58 -4.23 -1.26 -4.65 115.64 103.16 2jrl s THR 33 Ca 0.10 -0.01 -0.26 0.00 -1.18 0.00 0.00 61.69 60.34 2jrl s THR 33 Cb 0.17 -0.10 -0.17 0.00 1.34 0.00 0.00 72.50 73.73 2jrl s THR 33 CO 0.71 0.04 1.34 -0.07 -0.54 0.00 0.00 174.62 176.10 2jrl h LEU 34 N 6.34 -0.29 -1.07 4.79 3.38 -1.95 -2.88 115.31 123.63 2jrl h LEU 34 Ca -0.29 -0.18 0.41 0.00 0.09 0.00 0.00 57.88 57.92 2jrl h LEU 34 Cb 1.19 0.08 -0.17 0.00 0.09 0.00 0.00 40.66 41.85 2jrl h LEU 34 CO 0.50 0.03 0.60 0.08 0.09 0.00 0.00 178.44 179.74 2jrl h ARG 35 N -0.64 0.05 -0.30 1.13 -0.00 -1.99 1.40 114.38 114.05 2jrl h ARG 35 Ca -0.04 -0.00 -0.17 0.00 -0.00 0.00 0.00 59.98 59.77 2jrl h ARG 35 Cb 0.45 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.97 30.41 2jrl h ARG 35 CO 0.06 0.04 -0.50 1.49 -0.00 0.00 0.00 179.97 181.06 2jrl h GLU 36 N 0.06 0.82 0.00 0.08 4.57 -1.96 -2.72 114.58 115.43 2jrl h GLU 36 Ca 0.83 -0.49 -0.03 0.00 -1.18 0.00 0.00 59.36 58.49 2jrl h GLU 36 Cb 2.25 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 30.88 2jrl h GLU 36 CO -0.69 1.12 -0.15 0.00 -1.18 0.00 0.00 179.01 178.12 2jrl h ALA 37 N 0.79 0.98 -0.01 2.92 0.00 0.19 -3.12 119.26 121.00 2jrl h ALA 37 Ca 0.03 -0.14 -0.26 0.00 0.00 0.00 0.00 54.91 54.54 2jrl h ALA 37 Cb 1.08 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.87 2jrl h ALA 37 CO 0.11 0.19 -1.00 0.93 0.00 0.00 0.00 179.25 179.48 2jrl h GLU 38 N 0.00 0.69 -0.11 0.00 5.08 -0.28 -0.62 114.58 119.34 2jrl h GLU 38 Ca -0.00 -0.73 -0.00 0.00 -1.00 0.00 0.00 59.36 57.62 2jrl h GLU 38 Cb 0.78 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2jrl h GLU 38 CO 0.02 1.31 0.07 0.87 -1.00 0.00 0.00 179.01 180.28 2jrl h LYS 39 N 0.37 0.15 -0.18 2.33 6.56 -1.43 -2.15 116.57 122.22 2jrl h LYS 39 Ca -0.12 -0.01 -0.19 0.00 -1.06 0.00 0.00 60.65 59.26 2jrl h LYS 39 Cb 1.65 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 33.28 2jrl h LYS 39 CO 0.20 0.15 -0.66 1.57 -2.06 0.00 0.00 179.45 178.65 2jrl h LYS 40 N 0.11 0.70 -0.40 3.15 2.10 -1.63 -2.37 116.57 118.22 2jrl h LYS 40 Ca 0.04 -0.51 0.10 0.00 -2.00 0.00 0.00 60.65 58.29 2jrl h LYS 40 Cb 0.04 0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 31.44 2jrl h LYS 40 CO -0.01 1.13 0.29 0.82 -2.00 0.00 0.00 179.45 179.67 2jrl h ILE 41 N 0.50 0.83 -0.02 0.07 2.04 -0.95 0.23 117.51 120.22 2jrl h ILE 41 Ca -0.02 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2jrl h ILE 41 Cb 1.26 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2jrl h ILE 41 CO 0.13 0.01 -0.27 0.29 0.00 0.00 0.00 178.15 178.31 2jrl n LYS 42 N -4.44 1.54 -0.10 2.37 5.02 -0.82 -4.02 118.16 117.71 2jrl n LYS 42 Ca 0.06 -1.22 0.07 0.00 -2.02 0.00 0.00 58.31 55.20 2jrl n LYS 42 Cb 0.43 -1.47 0.12 0.00 -0.02 0.00 0.00 35.03 34.08 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 0.34 1.79 -3.84 1.97 0.28 0.63 -5.01 120.64 116.80 2jrl n GLU 43 Ca 0.12 -1.71 -0.08 0.00 -0.16 0.00 0.00 57.16 55.33 2jrl n GLU 43 Cb 0.49 -1.29 -0.03 0.00 1.43 0.00 0.00 31.44 32.03 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 -1.07 -0.09 -0.26 -1.84 0.05 -0.18 -5.01 118.68 110.27 2jrl s LEU 44 Ca 0.22 -0.61 -0.15 0.00 0.05 0.00 0.00 54.13 53.63 2jrl s LEU 44 Cb 0.13 2.40 -0.04 0.00 -2.05 0.00 0.00 46.19 46.63 2jrl s LEU 44 CO 0.18 -1.22 0.40 0.12 -0.55 0.00 0.00 176.35 175.28 2jrl s PHE 45 N -3.92 3.27 -0.20 3.48 2.19 -1.26 -4.75 117.98 116.78 2jrl s PHE 45 Ca 0.12 0.47 0.01 0.00 0.33 0.00 0.00 56.93 57.86 2jrl s PHE 45 Cb -0.04 -2.59 0.04 0.00 -1.31 0.00 0.00 43.02 39.13 2jrl s PHE 45 CO 0.04 -0.21 -0.09 -0.06 1.83 0.00 0.00 175.22 176.73 2jrl s PHE 46 N 2.01 2.29 -0.02 10.12 0.08 -1.26 -4.95 117.98 126.25 2jrl s PHE 46 Ca 0.16 -1.52 -0.23 0.00 0.12 0.00 0.00 56.93 55.47 2jrl s PHE 46 Cb -0.16 -1.58 -0.15 0.00 -0.57 0.00 0.00 43.02 40.56 2jrl s PHE 46 CO 0.09 -0.72 1.03 -1.00 -0.10 0.00 0.00 175.22 174.52 2jrl h PRO 47 N 8.00 -0.35 -4.64 0.24 0.13 -1.86 -3.45 132.00 130.07 2jrl h PRO 47 Ca -0.26 0.02 -0.46 0.00 -0.87 0.00 0.00 66.00 64.43 2jrl h PRO 47 Cb 1.10 0.08 -0.32 0.00 0.13 0.00 0.00 31.00 31.99 2jrl h PRO 47 CO 0.46 0.00 -0.80 0.14 -0.23 0.00 0.00 178.00 177.57 2jrl s VAL 48 N -4.03 0.93 0.03 1.56 -7.23 -1.23 -2.49 120.40 107.94 2jrl s VAL 48 Ca -0.13 -0.42 0.04 0.00 -1.81 0.00 0.00 61.98 59.66 2jrl s VAL 48 Cb 0.01 -0.83 -0.02 0.00 0.56 0.00 0.00 36.38 36.10 2jrl s VAL 48 CO 0.48 0.29 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.82 2jrl s ILE 49 N 0.33 0.94 -0.20 -0.62 1.01 -0.62 -3.50 121.20 118.54 2jrl s ILE 49 Ca -0.06 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 59.71 2jrl s ILE 49 Cb -0.11 -0.85 -0.01 0.00 0.01 0.00 0.00 42.46 41.50 2jrl s ILE 49 CO 0.01 0.01 -0.07 -0.69 0.00 0.00 0.00 174.94 174.21 2jrl s VAL 50 N -0.74 3.26 -0.16 2.92 1.01 0.35 -0.49 120.40 126.54 2jrl s VAL 50 Ca 0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 2jrl s VAL 50 Cb -0.07 -2.46 0.05 0.00 0.00 0.00 0.00 36.38 33.90 2jrl s VAL 50 CO 0.01 0.45 0.01 -0.22 0.00 0.00 0.00 175.10 175.35 2jrl s LEU 51 N 1.23 1.12 0.94 3.92 2.96 -0.46 0.54 118.68 128.94 2jrl s LEU 51 Ca 0.03 -0.63 -0.12 0.00 -0.22 0.00 0.00 54.13 53.19 2jrl s LEU 51 Cb -0.14 -0.61 0.16 0.00 0.50 0.00 0.00 46.19 46.09 2jrl s LEU 51 CO -0.02 -0.26 1.11 1.51 -1.32 0.00 0.00 176.35 177.37 2jrl s ASP 52 N 1.85 3.15 -0.10 3.68 1.47 -1.13 -3.50 116.67 122.08 2jrl s ASP 52 Ca 0.01 1.12 -0.24 0.00 1.18 0.00 0.00 52.55 54.62 2jrl s ASP 52 Cb -0.16 -1.76 -0.28 0.00 -0.34 0.00 0.00 42.92 40.39 2jrl s ASP 52 CO -0.07 -2.79 0.76 0.58 0.68 0.00 0.00 175.17 174.32 2jrl h VAL 53 N -1.66 1.53 -0.17 2.11 2.07 -0.71 -3.32 116.25 116.10 2jrl h VAL 53 Ca -0.52 -2.42 -0.16 0.00 0.82 0.00 0.00 66.70 64.42 2jrl h VAL 53 Cb 1.32 3.16 0.00 0.00 -1.52 0.00 0.00 31.29 34.26 2jrl h VAL 53 CO 0.59 0.64 0.47 1.87 0.02 0.00 0.00 177.57 181.16 2jrl n TRP 54 N -4.32 1.33 -4.69 1.57 -0.00 -1.26 -3.70 117.44 106.36 2jrl n TRP 54 Ca -0.15 -0.58 -0.31 0.00 -0.00 0.00 0.00 57.50 56.47 2jrl n TRP 54 Cb 0.68 -2.43 -0.13 0.00 -0.00 0.00 0.00 31.31 29.43 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 7.79 2.03 -0.02 5.87 -1.94 -1.26 -4.60 119.30 127.16 2jrl s MET 55 Ca 0.77 -1.00 -0.25 0.00 -1.71 0.00 0.00 55.69 53.49 2jrl s MET 55 Cb -0.02 -2.16 -0.20 0.00 2.01 0.00 0.00 34.83 34.47 2jrl s MET 55 CO 0.19 0.54 1.23 -1.00 -0.01 0.00 0.00 175.02 175.97 2jrl h PRO 56 N 4.58 -0.05 0.16 2.03 0.13 -1.89 -3.32 132.00 133.63 2jrl h PRO 56 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2jrl h PRO 56 Cb 1.15 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2jrl h PRO 56 CO 0.47 0.42 -0.08 0.22 -0.23 0.00 0.00 178.00 178.80 2jrl h ASP 57 N -0.54 -0.18 -3.88 1.44 3.58 -1.97 -3.47 116.42 111.39 2jrl h ASP 57 Ca -0.01 -0.10 0.22 0.00 0.42 0.00 0.00 57.03 57.56 2jrl h ASP 57 Cb 0.49 0.05 -0.22 0.00 1.72 0.00 0.00 39.33 41.37 2jrl h ASP 57 CO 0.01 -0.01 0.80 -0.83 -2.88 0.00 0.00 179.24 176.33 2jrl s GLY 58 N -2.41 -0.18 0.99 -0.78 0.00 -1.25 -5.09 107.32 98.62 2jrl s GLY 58 Ca -0.14 2.04 -0.16 0.00 0.00 0.00 0.00 44.72 46.46 2jrl s GLY 58 CO 0.64 0.79 -0.21 1.22 0.00 0.00 0.00 173.10 175.54 2jrl n ASP 59 N 0.24 -3.49 -0.03 1.64 8.00 -1.26 -4.44 116.55 117.22 2jrl n ASP 59 Ca -0.02 0.19 -0.16 0.00 0.71 0.00 0.00 54.79 55.52 2jrl n ASP 59 Cb 0.58 -0.97 -0.14 0.00 -0.02 0.00 0.00 41.12 40.58 2jrl n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jrl n GLY 60 N 2.39 -0.72 0.30 0.44 0.00 -1.24 -3.54 105.19 102.82 2jrl n GLY 60 Ca 0.02 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.92 2jrl n GLY 60 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2jrl h VAL 61 N 0.03 0.71 0.00 1.61 3.04 -1.89 0.49 116.25 120.25 2jrl h VAL 61 Ca -0.40 -0.20 -0.13 0.00 -1.01 0.00 0.00 66.70 64.96 2jrl h VAL 61 Cb 2.03 0.08 -0.02 0.00 -2.01 0.00 0.00 31.29 31.37 2jrl h VAL 61 CO 0.06 0.11 -0.60 -1.13 -1.01 0.00 0.00 177.57 175.00 2jrl h ASN 62 N 0.59 0.00 -0.42 3.17 -1.24 -1.96 -3.23 115.58 112.48 2jrl h ASN 62 Ca 0.45 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.49 2jrl h ASN 62 Cb 0.65 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.68 2jrl h ASN 62 CO -0.37 0.60 0.28 0.15 -1.29 0.00 0.00 177.43 176.80 2jrl h PHE 63 N 0.00 0.46 -0.76 0.67 3.57 -0.95 -2.34 116.94 117.59 2jrl h PHE 63 Ca -0.01 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.66 2jrl h PHE 63 Cb 1.39 -0.15 -0.11 0.00 2.79 0.00 0.00 35.95 39.87 2jrl h PHE 63 CO 0.00 0.28 0.25 0.82 -2.23 0.00 0.00 178.31 177.42 2jrl h ILE 64 N 0.48 0.56 -0.93 1.41 2.04 -1.48 -1.01 117.51 118.59 2jrl h ILE 64 Ca 0.17 -0.12 0.27 0.00 1.00 0.00 0.00 64.86 66.18 2jrl h ILE 64 Cb 0.07 0.19 -0.17 0.00 -0.74 0.00 0.00 36.82 36.17 2jrl h ILE 64 CO -0.04 0.06 0.06 -0.67 0.00 0.00 0.00 178.15 177.56 2jrl n ASP 65 N -5.09 -0.07 -0.09 1.72 2.03 -0.88 0.99 116.55 115.16 2jrl n ASP 65 Ca 0.15 1.58 -0.12 0.00 0.52 0.00 0.00 54.79 56.92 2jrl n ASP 65 Cb 0.46 -0.59 -0.04 0.00 -0.72 0.00 0.00 41.12 40.23 2jrl n ASP 65 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2jrl h PHE 66 N 0.00 0.61 0.18 -0.67 3.57 -1.36 -2.80 116.94 116.46 2jrl h PHE 66 Ca 0.58 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.94 2jrl h PHE 66 Cb 1.24 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 2jrl h PHE 66 CO -0.44 0.76 -0.12 0.82 -2.23 0.00 0.00 178.31 177.10 2jrl h ILE 67 N 0.28 0.74 0.00 1.41 2.04 0.71 -0.63 117.51 122.07 2jrl h ILE 67 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 2jrl h ILE 67 Cb 0.58 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2jrl h ILE 67 CO 0.03 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.47 2jrl n LYS 68 N -5.24 0.02 -0.03 2.37 4.76 0.76 0.10 118.16 120.91 2jrl n LYS 68 Ca -0.08 0.47 -0.21 0.00 -2.87 0.00 0.00 58.31 55.62 2jrl n LYS 68 Cb 0.16 -1.55 -0.13 0.00 -1.84 0.00 0.00 35.03 31.66 2jrl n LYS 68 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2jrl n GLU 69 N -1.58 0.73 -0.55 1.97 2.13 -0.38 -3.85 120.64 119.11 2jrl n GLU 69 Ca 0.00 0.24 0.04 0.00 0.66 0.00 0.00 57.16 58.10 2jrl n GLU 69 Cb 0.03 -1.66 0.23 0.00 0.27 0.00 0.00 31.44 30.31 2jrl n GLU 69 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2jrl n ASN 70 N -3.44 3.27 0.00 4.31 0.23 -0.43 -4.77 115.26 114.42 2jrl n ASN 70 Ca -0.35 -3.30 0.00 0.00 -0.53 0.00 0.00 54.58 50.40 2jrl n ASN 70 Cb 1.03 -0.57 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 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 -0.81 0.00 -0.11 0.53 7.64 0.28 -4.98 113.62 116.18 2jrl n SER 71 Ca 0.26 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.00 2jrl n SER 71 Cb 0.93 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.10 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 0.81 0.00 1.43 0.13 -1.67 -2.83 132.00 129.88 2jrl h PRO 72 Ca 0.00 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2jrl h PRO 72 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2jrl h PRO 72 CO 0.00 1.06 0.00 -0.25 -0.23 0.00 0.00 178.00 178.58 2jrl n ASP 73 N -4.18 0.00 -4.82 1.44 8.00 -1.26 -4.77 116.55 110.96 2jrl n ASP 73 Ca -0.03 0.31 -0.33 0.00 0.71 0.00 0.00 54.79 55.45 2jrl n ASP 73 Cb 0.50 -0.41 -0.02 0.00 -0.02 0.00 0.00 41.12 41.17 2jrl n ASP 73 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2jrl s SER 74 N -2.82 6.26 -0.12 -2.24 0.01 -1.07 -4.97 113.70 108.76 2jrl s SER 74 Ca 0.11 1.73 0.02 0.00 1.31 0.00 0.00 55.95 59.12 2jrl s SER 74 Cb 0.11 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.83 2jrl s SER 74 CO 0.29 -0.83 -0.16 -0.69 0.41 0.00 0.00 173.24 172.25 2jrl s VAL 75 N -2.42 1.58 0.06 3.43 1.01 -1.04 -5.00 120.40 118.02 2jrl s VAL 75 Ca 0.62 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 62.01 2jrl s VAL 75 Cb -0.13 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 2jrl s VAL 75 CO 0.30 0.46 -0.25 -0.69 0.00 0.00 0.00 175.10 174.92 2jrl s VAL 76 N 1.03 2.25 -0.19 2.92 1.01 -1.10 -1.59 120.40 124.73 2jrl s VAL 76 Ca -0.05 -1.44 -0.06 0.00 0.00 0.00 0.00 61.98 60.43 2jrl s VAL 76 Cb -0.15 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 2jrl s VAL 76 CO -0.03 0.31 0.02 -0.63 0.00 0.00 0.00 175.10 174.77 2jrl s ILE 77 N -0.87 4.18 -0.23 2.22 1.09 0.35 -1.56 121.20 126.38 2jrl s ILE 77 Ca 0.13 -0.24 -0.12 0.00 -1.10 0.00 0.00 60.65 59.32 2jrl s ILE 77 Cb -0.10 -2.89 -0.05 0.00 -1.06 0.00 0.00 42.46 38.36 2jrl s ILE 77 CO 0.03 0.43 0.22 -0.69 -0.10 0.00 0.00 174.94 174.84 2jrl s VAL 78 N 0.83 5.32 0.00 2.92 1.01 -1.19 -1.35 120.40 127.94 2jrl s VAL 78 Ca 0.01 0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.33 2jrl s VAL 78 Cb -0.14 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 2jrl s VAL 78 CO 0.02 0.31 -0.11 0.27 0.00 0.00 0.00 175.10 175.60 2jrl s ILE 79 N 1.18 0.86 -0.12 2.22 -4.36 -1.23 -3.22 121.20 116.52 2jrl s ILE 79 Ca 0.10 -0.58 -0.14 0.00 -0.26 0.00 0.00 60.65 59.76 2jrl s ILE 79 Cb -0.14 -0.74 0.04 0.00 1.25 0.00 0.00 42.46 42.86 2jrl s ILE 79 CO 0.06 0.15 0.39 0.28 0.24 0.00 0.00 174.94 176.06 2jrl s THR 80 N -0.42 0.01 -0.22 8.37 -1.32 -1.12 0.09 115.64 121.03 2jrl s THR 80 Ca 0.03 -0.08 0.18 0.00 -1.21 0.00 0.00 61.69 60.61 2jrl s THR 80 Cb -0.05 -0.58 0.05 0.00 -1.51 0.00 0.00 72.50 70.41 2jrl s THR 80 CO -0.00 -0.04 1.24 1.23 -2.21 0.00 0.00 174.62 174.84 2jrl h GLY 81 N 5.18 0.00 2.00 6.08 0.00 -1.88 -2.98 103.07 111.47 2jrl h GLY 81 Ca -0.27 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 2jrl h GLY 81 CO 0.28 0.00 -0.04 0.45 0.00 0.00 0.00 176.54 177.24 2jrl h HIS 82 N 0.00 0.00 -3.10 5.60 3.86 -2.00 -3.43 115.15 116.09 2jrl h HIS 82 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2jrl h HIS 82 Cb 1.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.76 2jrl h HIS 82 CO 0.00 0.04 -0.74 0.41 0.86 0.00 0.00 177.93 178.50 2jrl n GLY 83 N -1.38 -4.53 3.25 2.45 0.00 -1.24 -5.09 105.19 98.65 2jrl n GLY 83 Ca -0.03 -0.65 0.04 0.00 0.00 0.00 0.00 46.02 45.38 2jrl n GLY 83 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jrl s SER 84 N -2.30 -0.01 0.05 1.61 0.15 -1.26 -5.05 113.70 106.89 2jrl s SER 84 Ca 0.00 0.01 -0.18 0.00 0.70 0.00 0.00 55.95 56.48 2jrl s SER 84 Cb 0.00 1.01 -0.14 0.00 -1.71 0.00 0.00 66.02 65.18 2jrl s SER 84 CO 0.00 -0.00 1.33 1.62 1.20 0.00 0.00 173.24 177.39 2jrl h VAL 85 N 5.01 1.35 0.63 4.45 3.04 -1.98 -1.61 116.25 127.14 2jrl h VAL 85 Ca -0.16 -1.50 -0.02 0.00 -1.01 0.00 0.00 66.70 64.02 2jrl h VAL 85 Cb 1.13 1.90 -0.01 0.00 -2.01 0.00 0.00 31.29 32.31 2jrl h VAL 85 CO 0.09 0.45 -0.42 0.44 -1.01 0.00 0.00 177.57 177.12 2jrl h ASP 86 N 0.13 -1.08 0.03 3.17 3.32 -2.00 -1.34 116.42 118.64 2jrl h ASP 86 Ca 0.01 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2jrl h ASP 86 Cb 0.85 0.33 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 2jrl h ASP 86 CO 0.06 -0.64 -0.04 0.74 -1.72 0.00 0.00 179.24 177.65 2jrl h THR 87 N -1.01 1.04 -0.00 0.35 2.02 -1.98 -2.63 112.91 110.70 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 0.83 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 68.31 2jrl h THR 87 CO 0.06 0.05 0.00 0.00 0.37 0.00 0.00 175.52 176.00 2jrl h ALA 88 N 1.94 0.00 0.40 6.16 0.00 -0.78 -1.97 119.26 125.01 2jrl h ALA 88 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2jrl h ALA 88 Cb 0.08 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2jrl h ALA 88 CO 0.01 -0.41 -0.48 0.28 0.00 0.00 0.00 179.25 178.64 2jrl h VAL 89 N -0.17 0.00 -0.34 0.00 2.07 -0.89 -0.67 116.25 116.25 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 0.17 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 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 -0.89 0.00 0.00 1.57 2.10 -1.57 0.79 116.57 118.57 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 0.80 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 2jrl h LYS 90 CO -0.10 0.00 -0.15 0.00 -2.00 0.00 0.00 179.45 177.20 2jrl n ALA 91 N -2.32 2.45 0.02 0.07 0.00 -0.39 -2.92 120.51 117.43 2jrl n ALA 91 Ca 0.06 -0.09 -0.20 0.00 0.00 0.00 0.00 53.44 53.21 2jrl n ALA 91 Cb 0.55 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.46 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 0.19 -2.36 117.51 117.19 2jrl h ILE 92 Ca 0.00 -2.47 0.00 0.00 -0.39 0.00 0.00 64.86 62.00 2jrl h ILE 92 Cb 0.72 2.58 0.00 0.00 -3.07 0.00 0.00 36.82 37.05 2jrl h ILE 92 CO 0.00 0.84 0.00 0.11 -0.69 0.00 0.00 178.15 178.41 2jrl h LYS 93 N 0.07 0.00 0.16 2.37 1.57 -1.50 -3.30 116.57 115.94 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 2.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.36 2jrl h LYS 93 CO 0.11 0.00 -0.08 -0.22 -0.57 0.00 0.00 179.45 178.70 2jrl h LYS 94 N 0.00 -0.20 0.00 3.15 1.63 -1.66 -3.47 116.57 116.02 2jrl h LYS 94 Ca 0.00 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 2jrl h LYS 94 Cb 0.70 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.37 2jrl h LYS 94 CO 0.00 -0.14 -0.01 0.41 -3.45 0.00 0.00 179.45 176.26 2jrl n GLY 95 N 1.09 0.07 3.57 5.01 0.00 -1.24 -4.88 105.19 108.80 2jrl n GLY 95 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 3.52 0.26 4.61 0.00 -0.89 -2.72 121.76 126.54 2jrl s ALA 96 Ca 0.00 -1.14 0.07 0.00 0.00 0.00 0.00 51.96 50.89 2jrl s ALA 96 Cb 0.00 -2.61 0.32 0.00 0.00 0.00 0.00 23.12 20.83 2jrl s ALA 96 CO 0.00 -0.75 1.60 -0.92 0.00 0.00 0.00 175.76 175.69 2jrl h TYR 97 N 8.39 0.17 -2.56 0.00 3.20 -1.59 -3.41 116.97 121.17 2jrl h TYR 97 Ca -0.33 -0.06 -0.09 0.00 3.14 0.00 0.00 58.73 61.39 2jrl h TYR 97 Cb 1.17 -0.03 -0.19 0.00 1.54 0.00 0.00 36.73 39.22 2jrl h TYR 97 CO 0.72 0.69 -0.05 -2.00 -1.64 0.00 0.00 178.16 175.88 2jrl s GLU 98 N -3.72 0.86 -0.27 1.82 2.56 -1.26 -5.09 118.70 113.60 2jrl s GLU 98 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 54.97 54.92 2jrl s GLU 98 Cb 0.12 0.39 0.03 0.00 2.00 0.00 0.00 34.13 36.68 2jrl s GLU 98 CO 0.78 -0.26 -0.02 0.12 -0.56 0.00 0.00 175.26 175.33 2jrl s PHE 99 N -1.32 3.12 -0.05 5.30 5.36 -1.26 -3.17 117.98 125.96 2jrl s PHE 99 Ca -0.12 -1.49 0.04 0.00 -0.96 0.00 0.00 56.93 54.40 2jrl s PHE 99 Cb -0.03 -2.11 -0.00 0.00 -0.34 0.00 0.00 43.02 40.54 2jrl s PHE 99 CO 0.07 -0.71 -0.18 -0.51 -1.46 0.00 0.00 175.22 172.43 2jrl s LEU 100 N 1.35 1.91 0.00 6.12 1.43 -1.20 -5.05 118.68 123.24 2jrl s LEU 100 Ca -0.00 -0.38 -0.16 0.00 -1.03 0.00 0.00 54.13 52.56 2jrl s LEU 100 Cb -0.17 -1.03 0.24 0.00 0.03 0.00 0.00 46.19 45.26 2jrl s LEU 100 CO -0.02 0.14 0.68 -0.62 0.23 0.00 0.00 176.35 176.76 2jrl n GLU 101 N 3.28 -3.29 0.36 1.70 1.02 -1.26 -2.80 120.64 119.66 2jrl n GLU 101 Ca -0.19 -1.12 -0.17 0.00 -0.02 0.00 0.00 57.16 55.66 2jrl n GLU 101 Cb 0.53 -1.24 -0.09 0.00 -0.02 0.00 0.00 31.44 30.62 2jrl n GLU 101 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2jrl h LYS 102 N 0.00 -1.01 -6.42 3.49 1.63 -1.80 -3.42 116.57 109.05 2jrl h LYS 102 Ca -0.28 0.07 -0.54 0.00 -0.85 0.00 0.00 60.65 59.05 2jrl h LYS 102 Cb 0.90 0.23 0.01 0.00 -0.60 0.00 0.00 32.23 32.77 2jrl h LYS 102 CO 0.18 -0.67 0.83 -1.25 -3.45 0.00 0.00 179.45 175.08 2jrl s PRO 103 N -5.60 4.28 -0.01 1.90 0.04 -1.26 -5.00 135.00 129.35 2jrl s PRO 103 Ca -0.17 2.02 -0.21 0.00 0.04 0.00 0.00 61.00 62.69 2jrl s PRO 103 Cb 0.03 -3.51 0.04 0.00 0.04 0.00 0.00 34.50 31.10 2jrl s PRO 103 CO 0.54 -0.56 0.46 -0.59 0.04 0.00 0.00 177.00 176.88 2jrl s PHE 104 N 2.17 -0.36 0.13 0.56 -0.12 -1.26 -5.11 117.98 113.99 2jrl s PHE 104 Ca 0.65 0.54 0.06 0.00 -0.05 0.00 0.00 56.93 58.13 2jrl s PHE 104 Cb -0.33 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.25 2jrl s PHE 104 CO 0.28 -0.51 0.03 -1.12 -0.05 0.00 0.00 175.22 173.86 2jrl s SER 105 N -1.44 5.07 0.55 1.98 0.01 -1.26 -4.95 113.70 113.67 2jrl s SER 105 Ca -0.11 -0.23 0.34 0.00 1.31 0.00 0.00 55.95 57.25 2jrl s SER 105 Cb -0.03 -1.20 1.49 0.00 0.21 0.00 0.00 66.02 66.49 2jrl s SER 105 CO 0.05 0.12 1.81 1.62 0.41 0.00 0.00 173.24 177.25 2jrl h VAL 106 N 2.53 0.41 0.07 3.43 3.04 -2.02 0.45 116.25 124.16 2jrl h VAL 106 Ca -0.47 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.21 2jrl h VAL 106 Cb 1.19 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 2jrl h VAL 106 CO 0.60 0.00 -0.03 -0.08 -1.01 0.00 0.00 177.57 177.05 2jrl h GLU 107 N 0.00 -0.09 0.00 4.17 4.81 -1.99 0.19 114.58 121.67 2jrl h GLU 107 Ca 0.46 0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.51 2jrl h GLU 107 Cb 1.98 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 31.35 2jrl h GLU 107 CO -0.00 0.00 -1.02 -0.09 -0.73 0.00 0.00 179.01 177.17 2jrl h ARG 108 N -0.16 0.00 -0.05 1.92 9.65 -1.34 -3.04 114.38 121.35 2jrl h ARG 108 Ca -0.01 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 2jrl h ARG 108 Cb 0.13 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.71 2jrl h ARG 108 CO 0.02 0.67 -0.03 0.35 2.80 0.00 0.00 179.97 183.77 2jrl h PHE 109 N 0.00 0.12 -0.50 2.20 3.04 -0.12 -2.71 116.94 118.98 2jrl h PHE 109 Ca -0.07 -0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.76 2jrl h PHE 109 Cb 1.66 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 40.13 2jrl h PHE 109 CO 0.00 0.51 -0.02 1.37 -2.02 0.00 0.00 178.31 178.14 2jrl h LEU 110 N -0.30 0.83 -1.70 0.59 8.10 -0.75 -2.57 115.31 119.51 2jrl h LEU 110 Ca 0.01 -0.22 -0.01 0.00 0.11 0.00 0.00 57.88 57.77 2jrl h LEU 110 Cb 0.48 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 40.47 2jrl h LEU 110 CO 0.01 0.91 0.11 0.25 -4.11 0.00 0.00 178.44 175.61 2jrl h LEU 111 N 0.79 0.27 -0.01 0.17 5.85 -1.52 -1.16 115.31 119.70 2jrl h LEU 111 Ca 0.15 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2jrl h LEU 111 Cb 0.51 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 2jrl h LEU 111 CO 0.03 0.23 -0.00 0.74 -0.34 0.00 0.00 178.44 179.10 2jrl h THR 112 N 0.31 1.32 0.87 1.05 2.02 -1.12 -2.68 112.91 114.69 2jrl h THR 112 Ca 0.08 -0.96 -0.04 0.00 0.77 0.00 0.00 66.41 66.26 2jrl h THR 112 Cb 0.03 1.96 0.01 0.00 -1.74 0.00 0.00 68.15 68.41 2jrl h THR 112 CO -0.01 0.25 -0.42 0.40 0.37 0.00 0.00 175.52 176.11 2jrl h ILE 113 N -0.39 0.01 -0.93 3.11 1.08 -1.35 0.39 117.51 119.43 2jrl h ILE 113 Ca 0.00 -0.14 0.27 0.00 -0.39 0.00 0.00 64.86 64.60 2jrl h ILE 113 Cb 0.41 0.01 -0.16 0.00 -3.07 0.00 0.00 36.82 34.01 2jrl h ILE 113 CO 0.00 0.00 0.17 0.50 -0.69 0.00 0.00 178.15 178.14 2jrl h LYS 114 N -1.31 0.10 0.00 2.37 3.64 -1.33 0.94 116.57 120.97 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 0.90 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 2jrl h LYS 114 CO 0.20 0.06 -0.81 0.45 -2.27 0.00 0.00 179.45 177.08 2jrl h HIS 115 N 0.10 0.00 -0.73 1.91 3.86 -1.37 -3.12 115.15 115.81 2jrl h HIS 115 Ca 0.60 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.92 2jrl h HIS 115 Cb 1.26 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.65 2jrl h HIS 115 CO -0.34 0.81 0.34 0.00 0.86 0.00 0.00 177.93 179.60 2jrl h ALA 116 N 1.19 1.02 0.15 2.45 0.00 0.53 0.05 119.26 124.66 2jrl h ALA 116 Ca -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2jrl h ALA 116 Cb 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2jrl h ALA 116 CO 0.10 -0.11 -0.07 0.74 0.00 0.00 0.00 179.25 179.91 2jrl h PHE 117 N 0.54 -0.19 -1.00 0.00 -1.00 -1.48 -2.69 116.94 111.13 2jrl h PHE 117 Ca 0.38 -0.00 0.29 0.00 2.81 0.00 0.00 57.97 61.44 2jrl h PHE 117 Cb 0.47 0.06 -0.18 0.00 3.61 0.00 0.00 35.95 39.91 2jrl h PHE 117 CO -0.13 -0.12 0.08 0.93 -1.61 0.00 0.00 178.31 177.46 2jrl h GLU 118 N -0.71 0.00 0.26 1.51 5.08 -1.50 0.28 114.58 119.50 2jrl h GLU 118 Ca -0.02 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2jrl h GLU 118 Cb 0.16 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2jrl h GLU 118 CO 0.03 0.00 -0.13 1.49 -1.00 0.00 0.00 179.01 179.41 2jrl h GLU 119 N 0.00 -0.34 -1.03 2.33 4.57 -1.09 -2.81 114.58 116.22 2jrl h GLU 119 Ca 0.63 0.02 0.26 0.00 -1.18 0.00 0.00 59.36 59.09 2jrl h GLU 119 Cb 1.35 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 29.93 2jrl h GLU 119 CO -0.92 -0.10 0.67 -0.92 -1.18 0.00 0.00 179.01 176.56 2jrl h TYR 120 N -0.53 0.59 0.00 0.92 5.03 -0.15 -3.51 116.97 119.31 2jrl h TYR 120 Ca -0.04 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.29 2jrl h TYR 120 Cb 0.39 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.50 2jrl h TYR 120 CO -0.01 0.07 0.00 0.45 -1.32 0.00 0.00 178.16 177.35