#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 -1.71 -2.81 2.12 4.76 -1.26 -4.75 118.16 114.51 2jrl n LYS 2 Ca 0.00 0.61 -0.43 0.00 -2.87 0.00 0.00 58.31 55.62 2jrl n LYS 2 Cb 0.00 -4.99 -0.04 0.00 -1.84 0.00 0.00 35.03 28.16 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 -3.87 3.29 -0.02 1.97 0.52 -1.26 -1.66 118.95 117.92 2jrl s ARG 3 Ca 0.00 -0.34 0.08 0.00 -0.52 0.00 0.00 55.73 54.94 2jrl s ARG 3 Cb 0.00 -4.09 -0.02 0.00 0.52 0.00 0.00 34.95 31.36 2jrl s ARG 3 CO 0.00 -1.60 -0.25 0.54 0.02 0.00 0.00 175.30 174.01 2jrl s VAL 4 N 4.13 1.94 -0.19 3.52 0.11 -1.08 -3.71 120.40 125.12 2jrl s VAL 4 Ca 0.30 -1.05 -0.00 0.00 -2.93 0.00 0.00 61.98 58.30 2jrl s VAL 4 Cb -0.13 -1.61 0.01 0.00 -1.53 0.00 0.00 36.38 33.12 2jrl s VAL 4 CO 0.18 0.55 -0.16 -0.22 -3.33 0.00 0.00 175.10 172.11 2jrl s LEU 5 N -0.57 2.33 -0.37 2.54 2.96 -1.23 -2.37 118.68 121.97 2jrl s LEU 5 Ca 0.09 -0.58 -0.16 0.00 -0.22 0.00 0.00 54.13 53.27 2jrl s LEU 5 Cb -0.09 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 45.05 2jrl s LEU 5 CO -0.01 0.00 0.41 -0.69 -1.32 0.00 0.00 176.35 174.74 2jrl s VAL 6 N 1.29 5.12 -0.36 1.68 1.01 0.40 -0.69 120.40 128.85 2jrl s VAL 6 Ca 0.04 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.79 2jrl s VAL 6 Cb -0.14 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.32 2jrl s VAL 6 CO -0.09 -0.23 0.43 -0.69 0.00 0.00 0.00 175.10 174.51 2jrl s VAL 7 N 2.10 5.10 -0.28 2.92 1.01 0.17 -2.55 120.40 128.87 2jrl s VAL 7 Ca 0.13 0.06 -0.16 0.00 0.00 0.00 0.00 61.98 62.01 2jrl s VAL 7 Cb -0.17 -3.91 0.11 0.00 0.00 0.00 0.00 36.38 32.41 2jrl s VAL 7 CO 0.13 -0.20 0.82 -0.62 0.00 0.00 0.00 175.10 175.22 2jrl s ASP 8 N 1.76 -0.75 0.00 3.32 2.15 -0.06 -2.67 116.67 120.42 2jrl s ASP 8 Ca 0.14 1.20 0.02 0.00 0.43 0.00 0.00 52.55 54.34 2jrl s ASP 8 Cb -0.16 1.34 0.11 0.00 -0.30 0.00 0.00 42.92 43.91 2jrl s ASP 8 CO 0.13 -0.19 0.68 -0.90 -0.17 0.00 0.00 175.17 174.72 2jrl n ASP 9 N 4.09 0.00 -4.15 -0.34 5.75 -1.26 -4.30 116.55 116.35 2jrl n ASP 9 Ca -0.19 -1.11 -0.38 0.00 -0.01 0.00 0.00 54.79 53.10 2jrl n ASP 9 Cb 0.58 0.00 -0.07 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 3.06 0.63 0.11 2.56 -1.26 -4.90 118.70 116.90 2jrl s GLU 10 Ca 0.03 -2.81 0.33 0.00 0.00 0.00 0.00 54.97 52.51 2jrl s GLU 10 Cb 0.01 -3.96 1.82 0.00 2.00 0.00 0.00 34.13 34.00 2jrl s GLU 10 CO 0.02 -1.23 2.10 1.49 -0.56 0.00 0.00 175.26 177.09 2jrl h GLU 11 N 6.78 0.00 -0.44 4.30 4.81 -1.99 -0.58 114.58 127.46 2jrl h GLU 11 Ca 0.07 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 2jrl h GLU 11 Cb 0.92 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 2jrl h GLU 11 CO 0.78 0.00 -0.10 0.77 -0.73 0.00 0.00 179.01 179.73 2jrl h SER 12 N 0.00 0.84 0.12 1.04 0.02 -1.95 -2.26 113.55 111.37 2jrl h SER 12 Ca 0.05 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.64 2jrl h SER 12 Cb 0.46 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2jrl h SER 12 CO -0.00 1.00 -0.06 0.40 -1.14 0.00 0.00 176.83 177.04 2jrl h ILE 13 N 0.67 0.46 -1.15 3.27 1.08 -1.54 -3.28 117.51 117.02 2jrl h ILE 13 Ca 0.11 -1.15 0.32 0.00 -0.39 0.00 0.00 64.86 63.76 2jrl h ILE 13 Cb 0.63 0.83 -0.08 0.00 -3.07 0.00 0.00 36.82 35.13 2jrl h ILE 13 CO 0.04 0.14 0.77 0.71 -0.69 0.00 0.00 178.15 179.13 2jrl h THR 14 N -1.00 0.41 -0.52 -0.27 1.35 -1.50 0.30 112.91 111.68 2jrl h THR 14 Ca -0.02 -0.07 -0.00 0.00 -0.55 0.00 0.00 66.41 65.77 2jrl h THR 14 Cb 0.36 0.18 -0.03 0.00 -1.73 0.00 0.00 68.15 66.93 2jrl h THR 14 CO 0.03 0.04 0.31 -1.28 -0.25 0.00 0.00 175.52 174.37 2jrl h SER 15 N 0.21 0.63 0.19 5.36 0.87 -1.48 0.12 113.55 119.46 2jrl h SER 15 Ca 0.63 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 61.12 2jrl h SER 15 Cb 1.96 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.76 2jrl h SER 15 CO -0.22 0.51 -0.09 -1.28 -0.53 0.00 0.00 176.83 175.22 2jrl h SER 16 N 0.70 -0.22 -0.10 6.23 0.87 -0.51 -2.68 113.55 117.84 2jrl h SER 16 Ca 0.19 -0.31 0.03 0.00 -1.23 0.00 0.00 61.79 60.47 2jrl h SER 16 Cb -0.00 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 2jrl h SER 16 CO -0.03 0.28 0.13 -0.07 -0.53 0.00 0.00 176.83 176.60 2jrl h LEU 17 N -0.81 0.00 -0.20 2.23 4.07 -1.25 0.63 115.31 119.98 2jrl h LEU 17 Ca -0.03 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.76 2jrl h LEU 17 Cb 0.52 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.23 2jrl h LEU 17 CO 0.04 0.00 -0.84 0.28 -1.08 0.00 0.00 178.44 176.84 2jrl h SER 18 N 0.00 0.00 -0.39 -0.43 0.02 -0.69 -2.50 113.55 109.55 2jrl h SER 18 Ca 0.05 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 2jrl h SER 18 Cb 0.31 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2jrl h SER 18 CO -0.00 0.84 -0.16 0.00 -1.14 0.00 0.00 176.83 176.37 2jrl h ALA 19 N 1.16 0.55 -0.02 3.77 0.00 -0.52 -1.09 119.26 123.11 2jrl h ALA 19 Ca -0.01 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.35 2jrl h ALA 19 Cb 1.55 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 2jrl h ALA 19 CO 0.11 0.48 -0.85 0.82 0.00 0.00 0.00 179.25 179.81 2jrl h ILE 20 N 0.61 1.43 -0.23 0.00 1.08 -1.57 -2.59 117.51 116.23 2jrl h ILE 20 Ca 0.09 -2.41 -0.06 0.00 -0.39 0.00 0.00 64.86 62.09 2jrl h ILE 20 Cb 0.71 2.34 -0.01 0.00 -3.07 0.00 0.00 36.82 36.80 2jrl h ILE 20 CO 0.05 0.71 -0.08 0.25 -0.69 0.00 0.00 178.15 178.40 2jrl h LEU 21 N 0.19 0.47 -1.44 1.44 5.85 -1.40 -2.67 115.31 117.76 2jrl h LEU 21 Ca -0.05 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.24 2jrl h LEU 21 Cb 1.46 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 2jrl h LEU 21 CO 0.14 0.75 -0.19 -0.33 -0.34 0.00 0.00 178.44 178.47 2jrl h GLU 22 N 0.19 0.00 -0.26 1.25 5.08 -1.25 -1.21 114.58 118.38 2jrl h GLU 22 Ca 0.06 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.24 2jrl h GLU 22 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2jrl h GLU 22 CO 0.03 0.19 -0.54 1.49 -1.00 0.00 0.00 179.01 179.18 2jrl h GLU 23 N 0.00 0.78 0.00 2.33 4.81 -1.25 -2.73 114.58 118.52 2jrl h GLU 23 Ca -0.00 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2jrl h GLU 23 Cb 0.59 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2jrl h GLU 23 CO 0.02 1.12 0.00 0.39 -0.73 0.00 0.00 179.01 179.81 2jrl n GLU 24 N -3.99 0.81 -0.08 1.92 4.71 -1.03 -4.81 120.64 118.17 2jrl n GLU 24 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.11 2jrl n GLU 24 Cb 0.62 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.75 2jrl n GLU 24 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jrl n GLY 25 N 0.49 0.85 3.77 0.62 0.00 -1.03 -5.06 105.19 104.84 2jrl n GLY 25 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.39 2.23 -0.56 1.61 2.02 -0.48 -4.96 117.35 114.83 2jrl s TYR 26 Ca 0.00 0.79 0.04 0.00 -0.37 0.00 0.00 57.07 57.53 2jrl s TYR 26 Cb 0.00 -3.44 0.14 0.00 -0.40 0.00 0.00 41.96 38.26 2jrl s TYR 26 CO 0.00 -2.57 0.31 -1.01 -1.57 0.00 0.00 175.55 170.71 2jrl s HIS 27 N -3.27 3.25 0.47 2.71 3.76 -0.66 -3.80 115.29 117.75 2jrl s HIS 27 Ca 0.65 -3.17 -0.22 0.00 -0.15 0.00 0.00 55.06 52.17 2jrl s HIS 27 Cb -0.14 -2.84 -0.07 0.00 1.11 0.00 0.00 32.58 30.64 2jrl s HIS 27 CO 0.54 -0.72 1.16 -1.25 -0.85 0.00 0.00 174.74 173.62 2jrl s PRO 28 N -0.45 3.69 0.15 8.40 0.04 -1.25 -2.64 135.00 142.95 2jrl s PRO 28 Ca 0.18 1.75 0.03 0.00 0.04 0.00 0.00 61.00 63.00 2jrl s PRO 28 Cb -0.23 -2.34 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 2jrl s PRO 28 CO -0.03 -0.60 -0.04 0.34 0.04 0.00 0.00 177.00 176.71 2jrl s ASP 29 N -1.42 1.39 0.02 6.66 -1.08 -1.00 -4.93 116.67 116.32 2jrl s ASP 29 Ca 0.65 -1.09 0.05 0.00 -0.52 0.00 0.00 52.55 51.64 2jrl s ASP 29 Cb -0.28 0.07 -0.02 0.00 -1.46 0.00 0.00 42.92 41.23 2jrl s ASP 29 CO 0.34 -0.48 -0.15 0.42 0.52 0.00 0.00 175.17 175.81 2jrl s THR 30 N -3.55 1.21 -0.15 1.71 -4.23 -1.24 -0.45 115.64 108.95 2jrl s THR 30 Ca 0.19 -0.90 -0.06 0.00 -1.18 0.00 0.00 61.69 59.75 2jrl s THR 30 Cb 0.05 -1.06 0.07 0.00 1.34 0.00 0.00 72.50 72.90 2jrl s THR 30 CO 0.01 0.15 0.31 0.00 -0.54 0.00 0.00 174.62 174.56 2jrl s ALA 31 N -0.66 -0.75 -0.88 3.99 0.00 -1.06 -4.94 121.76 117.46 2jrl s ALA 31 Ca 0.04 1.15 0.25 0.00 0.00 0.00 0.00 51.96 53.40 2jrl s ALA 31 Cb -0.07 -1.02 0.55 0.00 0.00 0.00 0.00 23.12 22.57 2jrl s ALA 31 CO 0.01 -0.56 1.45 0.36 0.00 0.00 0.00 175.76 177.02 2jrl n LYS 32 N 5.06 0.10 -3.86 0.00 0.00 -1.26 -0.88 118.16 117.32 2jrl n LYS 32 Ca -0.12 0.03 -0.12 0.00 -0.00 0.00 0.00 58.31 58.10 2jrl n LYS 32 Cb 0.51 -1.57 -0.14 0.00 -0.00 0.00 0.00 35.03 33.83 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 -3.06 -0.01 0.03 0.58 -4.23 -1.26 -4.59 115.64 103.10 2jrl s THR 33 Ca 0.10 0.02 -0.26 0.00 -1.18 0.00 0.00 61.69 60.37 2jrl s THR 33 Cb 0.16 -0.03 -0.17 0.00 1.34 0.00 0.00 72.50 73.80 2jrl s THR 33 CO 0.68 0.01 1.35 -0.07 -0.54 0.00 0.00 174.62 176.05 2jrl h LEU 34 N 6.26 -0.42 -0.99 4.79 -0.00 -1.94 -2.96 115.31 120.04 2jrl h LEU 34 Ca -0.26 -0.11 0.36 0.00 -0.00 0.00 0.00 57.88 57.86 2jrl h LEU 34 Cb 1.20 0.11 -0.18 0.00 -0.00 0.00 0.00 40.66 41.79 2jrl h LEU 34 CO 0.50 -0.11 0.39 0.08 -0.00 0.00 0.00 178.44 179.30 2jrl h ARG 35 N -0.74 0.05 -0.67 1.13 -0.00 -1.99 1.31 114.38 113.47 2jrl h ARG 35 Ca -0.05 -0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.84 2jrl h ARG 35 Cb 0.51 -0.01 -0.03 0.00 -0.00 0.00 0.00 29.97 30.44 2jrl h ARG 35 CO 0.08 0.03 0.09 1.49 -0.00 0.00 0.00 179.97 181.66 2jrl h GLU 36 N 0.05 1.11 0.00 0.08 4.57 -1.97 -2.32 114.58 116.10 2jrl h GLU 36 Ca 0.76 -0.31 -0.01 0.00 -1.18 0.00 0.00 59.36 58.62 2jrl h GLU 36 Cb 1.86 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 30.33 2jrl h GLU 36 CO -0.79 1.03 -0.04 0.00 -1.18 0.00 0.00 179.01 178.02 2jrl h ALA 37 N 1.05 0.99 0.03 2.92 0.00 0.17 -3.03 119.26 121.39 2jrl h ALA 37 Ca 0.20 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.80 2jrl h ALA 37 Cb 0.46 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.27 2jrl h ALA 37 CO 0.02 0.05 -1.08 0.93 0.00 0.00 0.00 179.25 179.17 2jrl h GLU 38 N 0.00 0.62 -0.05 0.00 5.08 -0.21 -1.55 114.58 118.47 2jrl h GLU 38 Ca -0.00 -0.70 -0.01 0.00 -1.00 0.00 0.00 59.36 57.65 2jrl h GLU 38 Cb 0.72 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 2jrl h GLU 38 CO 0.01 1.29 0.00 -0.22 -1.00 0.00 0.00 179.01 179.09 2jrl h LYS 39 N 0.33 0.08 -0.03 2.33 1.63 -1.38 -2.14 116.57 117.39 2jrl h LYS 39 Ca -0.13 -0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 59.54 2jrl h LYS 39 Cb 1.73 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 33.34 2jrl h LYS 39 CO 0.20 0.36 -0.45 1.57 -3.45 0.00 0.00 179.45 177.69 2jrl h LYS 40 N -0.21 0.07 -0.58 1.90 2.10 -1.64 -2.33 116.57 115.88 2jrl h LYS 40 Ca 0.01 -0.03 -0.07 0.00 -2.00 0.00 0.00 60.65 58.56 2jrl h LYS 40 Cb 0.32 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.63 2jrl h LYS 40 CO 0.00 0.50 0.10 0.82 -2.00 0.00 0.00 179.45 178.88 2jrl h ILE 41 N 0.06 1.26 -0.01 0.07 2.04 -1.16 -1.84 117.51 117.93 2jrl h ILE 41 Ca 0.00 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.90 2jrl h ILE 41 Cb 0.82 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2jrl h ILE 41 CO 0.06 0.35 -0.04 0.29 0.00 0.00 0.00 178.15 178.82 2jrl n LYS 42 N -4.33 1.10 -0.04 2.37 5.02 -0.82 -3.24 118.16 118.22 2jrl n LYS 42 Ca 0.03 -0.38 0.07 0.00 -2.02 0.00 0.00 58.31 56.01 2jrl n LYS 42 Cb 0.27 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 33.87 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 -0.62 1.28 -3.83 1.97 0.28 -0.86 -5.01 120.64 113.85 2jrl n GLU 43 Ca 0.19 -1.49 -0.09 0.00 -0.16 0.00 0.00 57.16 55.62 2jrl n GLU 43 Cb 0.24 -1.28 -0.03 0.00 1.43 0.00 0.00 31.44 31.80 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 -1.13 -0.01 -0.27 -1.84 2.34 -0.75 -5.03 118.68 111.99 2jrl s LEU 44 Ca 0.19 -0.61 -0.12 0.00 0.06 0.00 0.00 54.13 53.65 2jrl s LEU 44 Cb 0.12 2.28 -0.05 0.00 -0.56 0.00 0.00 46.19 47.98 2jrl s LEU 44 CO 0.18 -1.17 0.22 0.12 -1.06 0.00 0.00 176.35 174.63 2jrl s PHE 45 N -3.92 3.23 -0.13 3.48 2.19 -1.26 -4.75 117.98 116.82 2jrl s PHE 45 Ca 0.13 0.17 0.01 0.00 0.33 0.00 0.00 56.93 57.57 2jrl s PHE 45 Cb -0.03 -2.40 0.02 0.00 -1.31 0.00 0.00 43.02 39.30 2jrl s PHE 45 CO 0.03 -0.15 -0.17 -0.59 1.83 0.00 0.00 175.22 176.17 2jrl s PHE 46 N 1.74 2.28 -0.02 10.12 -0.71 -1.26 -4.91 117.98 125.22 2jrl s PHE 46 Ca 0.08 -1.18 -0.22 0.00 -1.04 0.00 0.00 56.93 54.57 2jrl s PHE 46 Cb -0.16 -1.62 -0.14 0.00 -1.21 0.00 0.00 43.02 39.90 2jrl s PHE 46 CO 0.10 -0.60 0.96 -1.00 -1.34 0.00 0.00 175.22 173.34 2jrl h PRO 47 N 7.62 -0.45 -4.58 1.99 0.13 -1.95 -3.46 132.00 131.31 2jrl h PRO 47 Ca -0.35 0.03 -0.39 0.00 -0.87 0.00 0.00 66.00 64.42 2jrl h PRO 47 Cb 1.16 0.10 -0.30 0.00 0.13 0.00 0.00 31.00 32.10 2jrl h PRO 47 CO 0.53 -0.14 -0.78 0.14 -0.23 0.00 0.00 178.00 177.53 2jrl s VAL 48 N -3.96 0.67 0.03 1.56 -7.23 -1.25 -2.98 120.40 107.24 2jrl s VAL 48 Ca -0.12 -0.33 0.03 0.00 -1.81 0.00 0.00 61.98 59.74 2jrl s VAL 48 Cb 0.01 -0.58 -0.02 0.00 0.56 0.00 0.00 36.38 36.36 2jrl s VAL 48 CO 0.43 0.20 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.70 2jrl s ILE 49 N -0.02 0.70 -0.16 -0.62 1.01 -0.90 -3.52 121.20 117.69 2jrl s ILE 49 Ca 0.01 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 2jrl s ILE 49 Cb -0.05 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.73 2jrl s ILE 49 CO -0.00 -0.13 -0.12 -0.69 0.00 0.00 0.00 174.94 174.00 2jrl s VAL 50 N -0.89 2.97 -0.14 2.92 1.01 0.13 -0.08 120.40 126.33 2jrl s VAL 50 Ca -0.03 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 2jrl s VAL 50 Cb -0.07 -2.28 0.05 0.00 0.00 0.00 0.00 36.38 34.07 2jrl s VAL 50 CO 0.01 0.50 0.03 -0.22 0.00 0.00 0.00 175.10 175.41 2jrl s LEU 51 N 0.82 0.86 0.94 3.92 2.96 -0.53 0.42 118.68 128.06 2jrl s LEU 51 Ca -0.04 -0.50 -0.12 0.00 -0.22 0.00 0.00 54.13 53.26 2jrl s LEU 51 Cb -0.15 -0.50 0.15 0.00 0.50 0.00 0.00 46.19 46.19 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 1.93 3.15 -0.14 3.68 2.15 -1.09 -3.37 116.67 122.98 2jrl s ASP 52 Ca 0.02 1.30 -0.28 0.00 0.43 0.00 0.00 52.55 54.02 2jrl s ASP 52 Cb -0.15 -1.97 -0.25 0.00 -0.30 0.00 0.00 42.92 40.25 2jrl s ASP 52 CO -0.07 -2.82 0.72 0.58 -0.17 0.00 0.00 175.17 173.42 2jrl h VAL 53 N -1.67 1.70 -0.13 1.11 2.07 -0.27 -3.34 116.25 115.71 2jrl h VAL 53 Ca -0.52 -2.29 -0.00 0.00 0.82 0.00 0.00 66.70 64.71 2jrl h VAL 53 Cb 1.31 3.23 -0.00 0.00 -1.52 0.00 0.00 31.29 34.30 2jrl h VAL 53 CO 0.57 0.58 0.01 1.87 0.02 0.00 0.00 177.57 180.61 2jrl n TRP 54 N -4.61 0.95 -4.71 1.57 -0.00 -1.26 -3.60 117.44 105.78 2jrl n TRP 54 Ca -0.10 -0.13 -0.30 0.00 -0.00 0.00 0.00 57.50 56.96 2jrl n TRP 54 Cb 0.47 -2.61 -0.13 0.00 -0.00 0.00 0.00 31.31 29.04 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 8.64 1.90 -0.01 5.87 -1.94 -1.26 -4.63 119.30 127.86 2jrl s MET 55 Ca 0.84 -1.07 -0.25 0.00 -1.71 0.00 0.00 55.69 53.50 2jrl s MET 55 Cb -0.07 -2.08 -0.20 0.00 2.01 0.00 0.00 34.83 34.49 2jrl s MET 55 CO 0.17 0.52 1.28 -1.00 -0.01 0.00 0.00 175.02 175.97 2jrl h PRO 56 N 4.54 0.05 0.22 2.03 0.13 -1.89 -3.33 132.00 133.74 2jrl h PRO 56 Ca -0.48 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 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 0.52 -0.11 -0.44 -0.23 0.00 0.00 178.00 178.20 2jrl h ASP 57 N -0.43 -0.25 -4.00 1.44 3.32 -1.97 -3.48 116.42 111.06 2jrl h ASP 57 Ca 0.00 -0.14 0.22 0.00 0.02 0.00 0.00 57.03 57.13 2jrl h ASP 57 Cb 0.51 0.06 -0.21 0.00 0.22 0.00 0.00 39.33 39.91 2jrl h ASP 57 CO 0.00 0.00 0.79 -0.83 -1.72 0.00 0.00 179.24 177.48 2jrl s GLY 58 N -2.53 -0.22 0.98 2.75 0.00 -1.25 -5.10 107.32 101.95 2jrl s GLY 58 Ca -0.15 1.90 -0.15 0.00 0.00 0.00 0.00 44.72 46.32 2jrl s GLY 58 CO 0.61 0.72 -0.26 1.22 0.00 0.00 0.00 173.10 175.40 2jrl n ASP 59 N 0.16 -4.08 -0.00 1.64 8.00 -1.26 -4.44 116.55 116.57 2jrl n ASP 59 Ca -0.02 0.23 -0.16 0.00 0.71 0.00 0.00 54.79 55.56 2jrl n ASP 59 Cb 0.58 -0.96 -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 1.23 -0.39 0.00 0.00 177.20 178.04 2jrl h GLY 60 N -1.28 0.18 0.04 0.44 0.00 -1.68 -3.29 103.07 97.46 2jrl h GLY 60 Ca -0.44 -0.46 0.21 0.00 0.00 0.00 0.00 47.33 46.64 2jrl h GLY 60 CO 0.28 0.40 0.59 -0.24 0.00 0.00 0.00 176.54 177.58 2jrl h VAL 61 N 0.04 0.65 0.00 4.60 3.04 -1.90 0.27 116.25 122.95 2jrl h VAL 61 Ca -0.35 -0.24 -0.13 0.00 -1.01 0.00 0.00 66.70 64.97 2jrl h VAL 61 Cb 2.03 -0.11 -0.02 0.00 -2.01 0.00 0.00 31.29 31.18 2jrl h VAL 61 CO 0.09 0.13 -0.62 -1.13 -1.01 0.00 0.00 177.57 175.03 2jrl h ASN 62 N 0.69 0.00 -0.52 3.17 -0.73 -1.96 -3.23 115.58 113.00 2jrl h ASN 62 Ca 0.60 0.00 0.04 0.00 1.87 0.00 0.00 56.30 58.80 2jrl h ASN 62 Cb 1.00 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.56 2jrl h ASN 62 CO -0.42 0.62 0.35 0.15 -0.37 0.00 0.00 177.43 177.76 2jrl h PHE 63 N 0.00 0.56 -0.66 0.67 3.57 -0.53 -2.29 116.94 118.26 2jrl h PHE 63 Ca -0.01 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.63 2jrl h PHE 63 Cb 1.41 -0.19 -0.09 0.00 2.79 0.00 0.00 35.95 39.88 2jrl h PHE 63 CO 0.00 0.32 0.19 0.82 -2.23 0.00 0.00 178.31 177.42 2jrl h ILE 64 N 0.58 0.65 -0.94 1.41 2.04 -1.50 -1.48 117.51 118.26 2jrl h ILE 64 Ca 0.21 -0.11 0.26 0.00 1.00 0.00 0.00 64.86 66.22 2jrl h ILE 64 Cb 0.13 0.29 -0.17 0.00 -0.74 0.00 0.00 36.82 36.32 2jrl h ILE 64 CO -0.06 0.06 0.02 -0.67 0.00 0.00 0.00 178.15 177.51 2jrl n ASP 65 N -5.08 -0.11 -0.10 1.72 -0.08 -0.86 0.10 116.55 112.14 2jrl n ASP 65 Ca 0.11 1.59 -0.10 0.00 -1.51 0.00 0.00 54.79 54.88 2jrl n ASP 65 Cb 0.36 -0.58 -0.03 0.00 2.34 0.00 0.00 41.12 43.21 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 0.50 0.32 -0.67 3.57 -1.43 -2.57 116.94 116.66 2jrl h PHE 66 Ca 0.57 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 62.00 2jrl h PHE 66 Cb 1.18 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.78 2jrl h PHE 66 CO -0.47 0.52 -0.16 0.82 -2.23 0.00 0.00 178.31 176.79 2jrl h ILE 67 N 0.35 0.68 0.00 1.41 2.04 0.71 -1.17 117.51 121.52 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 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2jrl h ILE 67 CO -0.00 0.00 0.04 0.29 0.00 0.00 0.00 178.15 178.48 2jrl n LYS 68 N -5.28 0.08 0.01 2.37 4.76 0.47 0.14 118.16 120.72 2jrl n LYS 68 Ca -0.10 0.57 -0.21 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 -0.16 1.97 4.81 -0.83 -3.33 114.58 117.30 2jrl h GLU 69 Ca 0.00 -0.44 -0.07 0.00 -0.13 0.00 0.00 59.36 58.73 2jrl h GLU 69 Cb 0.08 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 2jrl h GLU 69 CO 0.00 1.17 -0.18 0.27 -0.73 0.00 0.00 179.01 179.54 2jrl n ASN 70 N -3.46 2.41 0.00 1.04 0.23 -0.36 -4.80 115.26 110.32 2jrl n ASN 70 Ca -0.30 -3.58 0.00 0.00 -0.53 0.00 0.00 54.58 50.17 2jrl n ASN 70 Cb 1.05 -0.55 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 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 -1.10 0.00 -0.11 0.53 7.64 0.38 -4.99 113.62 115.97 2jrl n SER 71 Ca 0.24 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.99 2jrl n SER 71 Cb 0.83 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.01 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 0.88 0.00 1.43 0.13 -1.67 -2.81 132.00 129.97 2jrl h PRO 72 Ca 0.00 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 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 1.11 0.00 -0.25 -0.23 0.00 0.00 178.00 178.63 2jrl n ASP 73 N -4.11 0.00 -4.83 1.44 9.92 -1.26 -4.78 116.55 112.92 2jrl n ASP 73 Ca -0.03 0.15 -0.32 0.00 -0.53 0.00 0.00 54.79 54.06 2jrl n ASP 73 Cb 0.53 -0.34 -0.02 0.00 -0.64 0.00 0.00 41.12 40.64 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 -2.69 6.32 -0.12 -2.24 1.04 -1.06 -4.94 113.70 110.02 2jrl s SER 74 Ca 0.15 1.67 0.02 0.00 0.48 0.00 0.00 55.95 58.27 2jrl s SER 74 Cb 0.13 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.74 2jrl s SER 74 CO 0.30 -0.79 -0.16 0.68 0.98 0.00 0.00 173.24 174.25 2jrl s VAL 75 N -2.53 1.57 0.03 5.02 -7.23 -1.16 -5.00 120.40 111.09 2jrl s VAL 75 Ca 0.61 -0.68 0.08 0.00 -1.81 0.00 0.00 61.98 60.18 2jrl s VAL 75 Cb -0.12 -1.43 -0.03 0.00 0.56 0.00 0.00 36.38 35.36 2jrl s VAL 75 CO 0.33 0.46 -0.22 -0.69 -0.31 0.00 0.00 175.10 174.66 2jrl s VAL 76 N 1.03 2.44 -0.25 1.32 1.01 -1.06 -2.12 120.40 122.77 2jrl s VAL 76 Ca -0.05 -1.23 -0.09 0.00 0.00 0.00 0.00 61.98 60.61 2jrl s VAL 76 Cb -0.15 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 2jrl s VAL 76 CO -0.03 0.40 0.12 -0.63 0.00 0.00 0.00 175.10 174.96 2jrl s ILE 77 N -0.82 4.76 -0.23 2.22 1.09 0.89 -1.60 121.20 127.51 2jrl s ILE 77 Ca 0.13 -0.02 -0.15 0.00 -1.10 0.00 0.00 60.65 59.51 2jrl s ILE 77 Cb -0.10 -3.23 -0.04 0.00 -1.06 0.00 0.00 42.46 38.02 2jrl s ILE 77 CO 0.03 0.32 0.35 -0.69 -0.10 0.00 0.00 174.94 174.85 2jrl s VAL 78 N 1.50 5.21 0.11 2.92 1.01 -1.20 -1.46 120.40 128.50 2jrl s VAL 78 Ca 0.06 0.58 0.07 0.00 0.00 0.00 0.00 61.98 62.69 2jrl s VAL 78 Cb -0.15 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2jrl s VAL 78 CO 0.06 0.23 -0.18 0.27 0.00 0.00 0.00 175.10 175.47 2jrl s ILE 79 N 1.57 1.56 0.08 2.22 -4.36 -1.22 -3.31 121.20 117.74 2jrl s ILE 79 Ca 0.16 -1.57 -0.15 0.00 -0.26 0.00 0.00 60.65 58.84 2jrl s ILE 79 Cb -0.15 -1.49 0.03 0.00 1.25 0.00 0.00 42.46 42.09 2jrl s ILE 79 CO 0.08 -0.17 0.34 0.28 0.24 0.00 0.00 174.94 175.71 2jrl s THR 80 N -1.42 0.08 -0.33 8.37 -1.32 -1.13 0.54 115.64 120.44 2jrl s THR 80 Ca 0.06 -0.68 0.15 0.00 -1.21 0.00 0.00 61.69 60.01 2jrl s THR 80 Cb -0.09 -1.10 -0.20 0.00 -1.51 0.00 0.00 72.50 69.61 2jrl s THR 80 CO 0.04 -0.38 0.46 0.61 -2.21 0.00 0.00 174.62 173.14 2jrl n GLY 81 N 0.14 -0.52 0.13 6.08 0.00 -1.26 0.09 105.19 109.85 2jrl n GLY 81 Ca -0.17 -0.38 0.02 0.00 0.00 0.00 0.00 46.02 45.49 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 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 2jrl h HIS 82 CO 0.00 0.55 -0.62 0.41 0.86 0.00 0.00 177.93 179.13 2jrl n GLY 83 N 1.16 -4.23 0.00 2.45 0.00 -1.26 -5.09 105.19 98.22 2jrl n GLY 83 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.53 0.00 -0.12 1.61 2.88 -1.26 -5.05 113.62 111.15 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 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 1.26 0.67 2.46 3.04 -1.98 -0.79 116.25 120.92 2jrl h VAL 85 Ca 0.00 -1.02 -0.03 0.00 -1.01 0.00 0.00 66.70 64.64 2jrl h VAL 85 Cb 0.00 1.22 -0.00 0.00 -2.01 0.00 0.00 31.29 30.50 2jrl h VAL 85 CO 0.00 0.34 -0.41 0.44 -1.01 0.00 0.00 177.57 176.93 2jrl h ASP 86 N 0.45 -1.01 0.06 3.17 3.32 -2.00 -1.29 116.42 119.11 2jrl h ASP 86 Ca 0.10 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2jrl h ASP 86 Cb 0.49 0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 2jrl h ASP 86 CO 0.02 -0.63 -0.05 0.74 -1.72 0.00 0.00 179.24 177.60 2jrl h THR 87 N -1.01 0.90 -0.02 0.35 2.02 -1.97 -2.61 112.91 110.57 2jrl h THR 87 Ca -0.09 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 2jrl h THR 87 Cb 0.82 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 68.32 2jrl h THR 87 CO 0.09 0.05 0.00 0.00 0.37 0.00 0.00 175.52 176.03 2jrl h ALA 88 N 1.95 0.02 0.46 6.16 0.00 -0.65 -2.20 119.26 125.00 2jrl h ALA 88 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2jrl h ALA 88 Cb 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2jrl h ALA 88 CO 0.01 -0.34 -0.49 0.28 0.00 0.00 0.00 179.25 178.71 2jrl h VAL 89 N -0.24 0.00 -0.37 0.00 2.07 -0.87 -0.87 116.25 115.97 2jrl h VAL 89 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 2jrl h VAL 89 Cb 0.28 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 2jrl h VAL 89 CO 0.00 0.00 0.40 0.07 0.02 0.00 0.00 177.57 178.06 2jrl h LYS 90 N -0.95 0.00 0.00 1.57 2.10 -1.59 0.81 116.57 118.51 2jrl h LYS 90 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 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 -0.07 0.00 -0.15 0.00 -2.00 0.00 0.00 179.45 177.23 2jrl n ALA 91 N -2.34 2.45 0.02 0.07 0.00 -0.47 -2.94 120.51 117.30 2jrl n ALA 91 Ca 0.06 -0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.23 2jrl n ALA 91 Cb 0.57 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.48 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 0.76 0.00 0.00 1.08 0.19 -2.53 117.51 117.02 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 2.57 0.00 0.00 -3.07 0.00 0.00 36.82 37.04 2jrl h ILE 92 CO 0.00 0.83 0.00 0.11 -0.69 0.00 0.00 178.15 178.40 2jrl h LYS 93 N 0.07 0.00 0.25 2.37 1.57 -1.49 -3.28 116.57 116.06 2jrl h LYS 93 Ca -0.37 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.39 2jrl h LYS 93 Cb 2.04 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 -0.12 -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 -3.47 116.57 115.90 2jrl h LYS 94 Ca 0.00 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2jrl h LYS 94 Cb 0.72 0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.42 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 -0.09 3.58 5.01 0.00 -1.24 -4.87 105.19 108.34 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 0.24 4.61 0.00 -0.95 -2.56 121.76 126.63 2jrl s ALA 96 Ca 0.00 -1.10 0.12 0.00 0.00 0.00 0.00 51.96 50.98 2jrl s ALA 96 Cb 0.00 -2.59 0.42 0.00 0.00 0.00 0.00 23.12 20.96 2jrl s ALA 96 CO 0.00 -0.70 1.64 -0.92 0.00 0.00 0.00 175.76 175.78 2jrl h TYR 97 N 8.37 0.00 -2.23 0.00 3.20 -1.60 -3.41 116.97 121.30 2jrl h TYR 97 Ca -0.33 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.47 2jrl h TYR 97 Cb 1.17 0.00 -0.20 0.00 1.54 0.00 0.00 36.73 39.25 2jrl h TYR 97 CO 0.74 0.56 0.08 -2.00 -1.64 0.00 0.00 178.16 175.90 2jrl s GLU 98 N -3.60 0.93 -0.26 1.82 2.56 -1.26 -5.09 118.70 113.80 2jrl s GLU 98 Ca -0.01 0.28 -0.03 0.00 0.00 0.00 0.00 54.97 55.21 2jrl s GLU 98 Cb 0.12 0.44 0.02 0.00 2.00 0.00 0.00 34.13 36.71 2jrl s GLU 98 CO 0.75 -0.26 -0.03 0.12 -0.56 0.00 0.00 175.26 175.28 2jrl s PHE 99 N -0.97 3.09 -0.06 5.30 2.19 -1.26 -3.22 117.98 123.05 2jrl s PHE 99 Ca -0.10 -1.43 0.04 0.00 0.33 0.00 0.00 56.93 55.78 2jrl s PHE 99 Cb -0.02 -2.11 -0.00 0.00 -1.31 0.00 0.00 43.02 39.58 2jrl s PHE 99 CO 0.07 -0.69 -0.20 -0.51 1.83 0.00 0.00 175.22 175.72 2jrl s LEU 100 N 1.36 1.95 0.00 6.12 1.43 -1.21 -5.05 118.68 123.28 2jrl s LEU 100 Ca 0.01 -0.42 -0.15 0.00 -1.03 0.00 0.00 54.13 52.54 2jrl s LEU 100 Cb -0.17 -1.13 0.22 0.00 0.03 0.00 0.00 46.19 45.14 2jrl s LEU 100 CO -0.03 0.16 0.66 -0.62 0.23 0.00 0.00 176.35 176.76 2jrl n GLU 101 N 3.24 -3.01 0.22 1.70 1.02 -1.26 -2.82 120.64 119.73 2jrl n GLU 101 Ca -0.19 -1.08 -0.11 0.00 -0.02 0.00 0.00 57.16 55.77 2jrl n GLU 101 Cb 0.53 -1.15 -0.05 0.00 -0.02 0.00 0.00 31.44 30.75 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 -0.61 -6.46 3.49 1.79 -0.62 -3.42 116.57 110.74 2jrl h LYS 102 Ca -0.27 0.04 -0.54 0.00 -2.18 0.00 0.00 60.65 57.71 2jrl h LYS 102 Cb 0.85 0.14 0.01 0.00 -1.58 0.00 0.00 32.23 31.65 2jrl h LYS 102 CO 0.17 -0.41 0.79 -1.25 -1.08 0.00 0.00 179.45 177.67 2jrl s PRO 103 N -4.56 4.30 0.07 3.15 0.04 -1.26 -5.01 135.00 131.72 2jrl s PRO 103 Ca -0.10 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 62.76 2jrl s PRO 103 Cb 0.02 -3.43 0.05 0.00 0.04 0.00 0.00 34.50 31.17 2jrl s PRO 103 CO 0.32 -0.51 0.48 -0.59 0.04 0.00 0.00 177.00 176.74 2jrl s PHE 104 N 1.82 -0.36 0.06 0.56 -0.12 -1.26 -5.12 117.98 113.56 2jrl s PHE 104 Ca 0.65 0.31 0.03 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 0.03 -1.12 -0.05 0.00 0.00 175.22 173.71 2jrl s SER 105 N -2.17 5.22 0.55 1.98 0.01 -1.26 -4.95 113.70 113.08 2jrl s SER 105 Ca -0.03 -0.07 0.35 0.00 1.31 0.00 0.00 55.95 57.50 2jrl s SER 105 Cb -0.00 -1.33 1.52 0.00 0.21 0.00 0.00 66.02 66.41 2jrl s SER 105 CO -0.04 0.20 1.82 1.62 0.41 0.00 0.00 173.24 177.25 2jrl h VAL 106 N 2.95 0.43 -0.26 3.43 3.04 -2.02 0.45 116.25 124.27 2jrl h VAL 106 Ca -0.48 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.21 2jrl h VAL 106 Cb 1.17 0.45 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 2jrl h VAL 106 CO 0.61 0.00 0.14 -0.08 -1.01 0.00 0.00 177.57 177.23 2jrl h GLU 107 N 0.00 0.36 0.00 4.17 4.81 -1.99 0.27 114.58 122.20 2jrl h GLU 107 Ca 0.50 -0.04 -0.22 0.00 -0.13 0.00 0.00 59.36 59.47 2jrl h GLU 107 Cb 2.07 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 31.34 2jrl h GLU 107 CO -0.01 0.33 -1.23 -0.09 -0.73 0.00 0.00 179.01 177.28 2jrl h ARG 108 N 0.30 0.00 -0.02 1.92 9.65 -1.15 -3.05 114.38 122.02 2jrl h ARG 108 Ca 0.09 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 2jrl h ARG 108 Cb 0.08 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.66 2jrl h ARG 108 CO -0.01 0.66 -0.02 0.35 2.80 0.00 0.00 179.97 183.75 2jrl h PHE 109 N 0.00 0.05 -0.64 2.20 3.04 -0.15 -2.82 116.94 118.62 2jrl h PHE 109 Ca -0.12 -0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.73 2jrl h PHE 109 Cb 1.77 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 40.25 2jrl h PHE 109 CO 0.00 0.53 0.10 1.37 -2.02 0.00 0.00 178.31 178.29 2jrl h LEU 110 N -0.44 1.01 -1.87 0.59 8.10 -0.61 -2.51 115.31 119.58 2jrl h LEU 110 Ca 0.00 -0.24 0.02 0.00 0.11 0.00 0.00 57.88 57.77 2jrl h LEU 110 Cb 0.53 -0.27 -0.01 0.00 -0.44 0.00 0.00 40.66 40.47 2jrl h LEU 110 CO 0.00 1.01 0.13 0.25 -4.11 0.00 0.00 178.44 175.72 2jrl h LEU 111 N 0.99 0.15 -0.02 0.17 5.85 -1.56 -1.86 115.31 119.04 2jrl h LEU 111 Ca 0.20 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 2jrl h LEU 111 Cb 0.43 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 2jrl h LEU 111 CO 0.01 0.11 0.00 0.74 -0.34 0.00 0.00 178.44 178.97 2jrl h THR 112 N 0.18 1.20 0.76 1.05 2.02 -1.18 -2.54 112.91 114.40 2jrl h THR 112 Ca 0.08 -0.61 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 2jrl h THR 112 Cb 0.09 1.57 0.01 0.00 -1.74 0.00 0.00 68.15 68.08 2jrl h THR 112 CO -0.01 0.16 -0.36 0.40 0.37 0.00 0.00 175.52 176.07 2jrl h ILE 113 N -0.21 0.15 -0.93 3.11 1.08 -1.41 0.32 117.51 119.63 2jrl h ILE 113 Ca 0.01 -0.17 0.26 0.00 -0.39 0.00 0.00 64.86 64.57 2jrl h ILE 113 Cb 0.26 0.18 -0.16 0.00 -3.07 0.00 0.00 36.82 34.03 2jrl h ILE 113 CO 0.00 0.01 0.16 0.50 -0.69 0.00 0.00 178.15 178.13 2jrl h LYS 114 N -1.16 0.09 0.00 2.37 3.64 -1.43 0.95 116.57 121.03 2jrl h LYS 114 Ca -0.10 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.10 2jrl h LYS 114 Cb 0.80 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 2jrl h LYS 114 CO 0.17 0.06 -0.80 0.45 -2.27 0.00 0.00 179.45 177.06 2jrl h HIS 115 N 0.09 0.00 -0.72 1.91 3.86 -1.34 -3.16 115.15 115.79 2jrl h HIS 115 Ca 0.59 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.91 2jrl h HIS 115 Cb 1.25 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.64 2jrl h HIS 115 CO -0.35 0.80 0.33 0.00 0.86 0.00 0.00 177.93 179.57 2jrl h ALA 116 N 1.20 1.01 0.18 2.45 0.00 0.50 -0.35 119.26 124.25 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 1.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2jrl h ALA 116 CO 0.10 -0.12 -0.09 0.74 0.00 0.00 0.00 179.25 179.89 2jrl h PHE 117 N 0.53 -0.23 -0.97 0.00 -1.00 -1.48 -2.38 116.94 111.42 2jrl h PHE 117 Ca 0.37 -0.01 0.30 0.00 2.81 0.00 0.00 57.97 61.45 2jrl h PHE 117 Cb 0.47 0.07 -0.18 0.00 3.61 0.00 0.00 35.95 39.93 2jrl h PHE 117 CO -0.13 -0.14 0.13 0.39 -1.61 0.00 0.00 178.31 176.95 2jrl n GLU 118 N -3.97 -0.07 0.09 1.51 1.02 -1.19 0.00 120.64 118.03 2jrl n GLU 118 Ca -0.03 1.43 -0.13 0.00 -0.02 0.00 0.00 57.16 58.41 2jrl n GLU 118 Cb 0.10 -2.33 -0.08 0.00 -0.02 0.00 0.00 31.44 29.10 2jrl n GLU 118 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2jrl h GLU 119 N 0.00 -0.22 -0.99 3.49 4.57 -1.16 -3.05 114.58 117.22 2jrl h GLU 119 Ca 0.64 0.01 0.22 0.00 -1.18 0.00 0.00 59.36 59.05 2jrl h GLU 119 Cb 1.42 0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 29.96 2jrl h GLU 119 CO -0.88 0.11 0.62 -0.92 -1.18 0.00 0.00 179.01 176.76 2jrl h TYR 120 N -0.56 0.86 0.00 0.92 3.20 0.14 -3.51 116.97 118.01 2jrl h TYR 120 Ca -0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2jrl h TYR 120 Cb 0.42 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.44 2jrl h TYR 120 CO 0.03 0.16 0.00 0.45 -1.64 0.00 0.00 178.16 177.16