#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 -1.16 -2.67 2.12 4.76 -1.26 -4.76 118.16 115.19 2jrl n LYS 2 Ca 0.00 1.07 -0.42 0.00 -2.87 0.00 0.00 58.31 56.09 2jrl n LYS 2 Cb 0.00 -5.29 -0.03 0.00 -1.84 0.00 0.00 35.03 27.87 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 -3.48 3.38 -0.01 1.97 0.52 -1.26 -1.55 118.95 118.51 2jrl s ARG 3 Ca 0.00 -0.05 0.08 0.00 -0.52 0.00 0.00 55.73 55.24 2jrl s ARG 3 Cb 0.00 -4.07 -0.02 0.00 0.52 0.00 0.00 34.95 31.38 2jrl s ARG 3 CO 0.00 -1.72 -0.25 0.54 0.02 0.00 0.00 175.30 173.89 2jrl s VAL 4 N 4.75 2.12 -0.19 3.52 0.11 -1.01 -3.72 120.40 125.97 2jrl s VAL 4 Ca 0.37 -1.13 0.01 0.00 -2.93 0.00 0.00 61.98 58.30 2jrl s VAL 4 Cb -0.10 -1.74 0.02 0.00 -1.53 0.00 0.00 36.38 33.03 2jrl s VAL 4 CO 0.21 0.55 -0.18 -0.22 -3.33 0.00 0.00 175.10 172.13 2jrl s LEU 5 N -0.70 2.34 -0.40 2.54 2.96 -1.22 -2.28 118.68 121.91 2jrl s LEU 5 Ca 0.10 -0.71 -0.18 0.00 -0.22 0.00 0.00 54.13 53.12 2jrl s LEU 5 Cb -0.10 -1.51 0.01 0.00 0.50 0.00 0.00 46.19 45.10 2jrl s LEU 5 CO -0.00 -0.02 0.47 -0.69 -1.32 0.00 0.00 176.35 174.78 2jrl s VAL 6 N 1.28 5.05 -0.34 1.68 1.01 0.39 -1.03 120.40 128.45 2jrl s VAL 6 Ca 0.04 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.73 2jrl s VAL 6 Cb -0.14 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 2jrl s VAL 6 CO -0.11 -0.38 0.36 -0.69 0.00 0.00 0.00 175.10 174.28 2jrl s VAL 7 N 2.26 5.17 -0.29 2.92 1.01 0.16 -2.50 120.40 129.14 2jrl s VAL 7 Ca 0.15 0.04 -0.19 0.00 0.00 0.00 0.00 61.98 61.98 2jrl s VAL 7 Cb -0.16 -3.83 0.13 0.00 0.00 0.00 0.00 36.38 32.52 2jrl s VAL 7 CO 0.14 -0.10 0.95 -0.62 0.00 0.00 0.00 175.10 175.47 2jrl s ASP 8 N 1.73 -0.55 0.00 3.32 2.15 0.11 -2.79 116.67 120.65 2jrl s ASP 8 Ca 0.12 0.92 0.00 0.00 0.43 0.00 0.00 52.55 54.02 2jrl s ASP 8 Cb -0.17 1.14 0.00 0.00 -0.30 0.00 0.00 42.92 43.60 2jrl s ASP 8 CO 0.12 -0.15 0.51 -0.90 -0.17 0.00 0.00 175.17 174.58 2jrl n ASP 9 N 3.35 0.35 -4.04 -0.34 5.75 -1.26 -4.31 116.55 116.05 2jrl n ASP 9 Ca -0.17 -1.38 -0.34 0.00 -0.01 0.00 0.00 54.79 52.90 2jrl n ASP 9 Cb 0.57 -0.18 -0.09 0.00 -1.03 0.00 0.00 41.12 40.40 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 -1.49 2.84 0.64 0.11 2.56 -1.26 -4.90 118.70 117.20 2jrl s GLU 10 Ca 0.00 -3.09 0.32 0.00 0.00 0.00 0.00 54.97 52.20 2jrl s GLU 10 Cb 0.00 -3.74 1.72 0.00 2.00 0.00 0.00 34.13 34.11 2jrl s GLU 10 CO 0.00 -1.24 2.01 1.49 -0.56 0.00 0.00 175.26 176.97 2jrl h GLU 11 N 6.12 0.00 -0.38 4.30 4.81 -1.99 0.07 114.58 127.51 2jrl h GLU 11 Ca 0.10 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 2jrl h GLU 11 Cb 0.83 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 2jrl h GLU 11 CO 0.78 0.00 -0.16 0.77 -0.73 0.00 0.00 179.01 179.67 2jrl h SER 12 N 0.00 0.80 0.08 1.04 0.02 -1.95 -2.32 113.55 111.22 2jrl h SER 12 Ca 0.05 -0.39 -0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2jrl h SER 12 Cb 0.62 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2jrl h SER 12 CO -0.00 1.02 -0.04 0.40 -1.14 0.00 0.00 176.83 177.07 2jrl h ILE 13 N 0.59 0.64 -1.10 3.27 1.08 -1.43 -3.24 117.51 117.31 2jrl h ILE 13 Ca 0.09 -1.32 0.30 0.00 -0.39 0.00 0.00 64.86 63.54 2jrl h ILE 13 Cb 0.70 1.16 -0.10 0.00 -3.07 0.00 0.00 36.82 35.52 2jrl h ILE 13 CO 0.05 0.20 0.71 0.71 -0.69 0.00 0.00 178.15 179.13 2jrl h THR 14 N -0.98 0.44 -0.11 -0.27 1.35 -1.48 0.13 112.91 111.98 2jrl h THR 14 Ca -0.01 -0.11 -0.00 0.00 -0.55 0.00 0.00 66.41 65.74 2jrl h THR 14 Cb 0.41 0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 66.92 2jrl h THR 14 CO 0.02 0.06 0.06 0.77 -0.25 0.00 0.00 175.52 176.18 2jrl h SER 15 N 0.31 0.14 0.32 5.36 4.64 -1.50 0.17 113.55 122.99 2jrl h SER 15 Ca 0.64 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.85 2jrl h SER 15 Cb 1.75 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.81 2jrl h SER 15 CO -0.31 0.19 -0.15 0.77 -0.87 0.00 0.00 176.83 176.46 2jrl h SER 16 N 0.08 -0.36 0.04 4.97 4.64 -0.82 -2.10 113.55 120.01 2jrl h SER 16 Ca 0.04 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2jrl h SER 16 Cb 0.08 0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2jrl h SER 16 CO -0.01 -0.10 -0.01 -0.07 -0.87 0.00 0.00 176.83 175.78 2jrl h LEU 17 N -0.63 0.00 -0.36 5.97 3.38 -1.21 -0.90 115.31 121.55 2jrl h LEU 17 Ca -0.04 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 2jrl h LEU 17 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2jrl h LEU 17 CO 0.07 0.01 -0.83 0.28 0.09 0.00 0.00 178.44 178.07 2jrl h SER 18 N 0.00 0.12 -0.40 -0.43 0.02 -0.32 -2.14 113.55 110.40 2jrl h SER 18 Ca -0.00 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.76 2jrl h SER 18 Cb 0.04 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2jrl h SER 18 CO 0.00 0.89 -0.14 0.00 -1.14 0.00 0.00 176.83 176.43 2jrl h ALA 19 N 1.11 0.55 -0.02 3.77 0.00 -0.48 -1.54 119.26 122.65 2jrl h ALA 19 Ca -0.02 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 2jrl h ALA 19 Cb 1.44 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2jrl h ALA 19 CO 0.12 0.47 -0.82 0.82 0.00 0.00 0.00 179.25 179.83 2jrl h ILE 20 N 0.61 1.46 -0.21 0.00 1.08 -1.56 -2.64 117.51 116.25 2jrl h ILE 20 Ca 0.09 -2.44 -0.04 0.00 -0.39 0.00 0.00 64.86 62.08 2jrl h ILE 20 Cb 0.69 2.35 -0.01 0.00 -3.07 0.00 0.00 36.82 36.77 2jrl h ILE 20 CO 0.05 0.72 -0.03 0.25 -0.69 0.00 0.00 178.15 178.44 2jrl h LEU 21 N 0.15 0.39 -1.43 1.44 5.85 -1.32 -2.81 115.31 117.58 2jrl h LEU 21 Ca -0.04 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 2jrl h LEU 21 Cb 1.42 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 2jrl h LEU 21 CO 0.13 0.65 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.65 2jrl h GLU 22 N 0.13 0.00 -0.40 1.25 4.22 -1.33 -1.61 114.58 116.84 2jrl h GLU 22 Ca 0.06 0.00 -0.14 0.00 0.08 0.00 0.00 59.36 59.36 2jrl h GLU 22 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2jrl h GLU 22 CO 0.02 0.15 -0.30 1.49 -2.18 0.00 0.00 179.01 178.19 2jrl h GLU 23 N 0.00 0.87 0.00 1.92 4.81 -1.22 -2.47 114.58 118.49 2jrl h GLU 23 Ca -0.00 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2jrl h GLU 23 Cb 0.58 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2jrl h GLU 23 CO 0.02 1.05 0.00 0.39 -0.73 0.00 0.00 179.01 179.74 2jrl n GLU 24 N -4.08 0.92 -0.06 1.92 -0.58 -1.09 -4.83 120.64 112.84 2jrl n GLU 24 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2jrl n GLU 24 Cb 0.49 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 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 0.81 3.70 0.62 0.00 -0.93 -5.06 105.19 105.00 2jrl n GLY 25 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.34 1.95 -0.56 1.61 2.02 -0.63 -4.95 117.35 114.46 2jrl s TYR 26 Ca 0.00 0.84 0.03 0.00 -0.37 0.00 0.00 57.07 57.57 2jrl s TYR 26 Cb 0.00 -3.36 0.14 0.00 -0.40 0.00 0.00 41.96 38.34 2jrl s TYR 26 CO 0.00 -2.92 0.32 -1.01 -1.57 0.00 0.00 175.55 170.37 2jrl s HIS 27 N -3.09 3.25 0.43 2.71 3.76 -0.59 -3.85 115.29 117.91 2jrl s HIS 27 Ca 0.66 -3.10 -0.24 0.00 -0.15 0.00 0.00 55.06 52.23 2jrl s HIS 27 Cb -0.16 -2.90 -0.08 0.00 1.11 0.00 0.00 32.58 30.56 2jrl s HIS 27 CO 0.56 -0.75 1.18 -1.25 -0.85 0.00 0.00 174.74 173.63 2jrl s PRO 28 N -0.33 3.90 0.14 8.40 0.04 -1.25 -2.40 135.00 143.49 2jrl s PRO 28 Ca 0.18 1.83 0.03 0.00 0.04 0.00 0.00 61.00 63.07 2jrl s PRO 28 Cb -0.24 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.71 2jrl s PRO 28 CO -0.02 -0.44 -0.07 0.34 0.04 0.00 0.00 177.00 176.85 2jrl s ASP 29 N -1.22 1.45 0.04 6.66 2.15 -0.96 -4.94 116.67 119.85 2jrl s ASP 29 Ca 0.60 -1.04 0.06 0.00 0.43 0.00 0.00 52.55 52.59 2jrl s ASP 29 Cb -0.30 0.05 -0.02 0.00 -0.30 0.00 0.00 42.92 42.35 2jrl s ASP 29 CO 0.37 -0.43 -0.16 0.42 -0.17 0.00 0.00 175.17 175.20 2jrl s THR 30 N -3.50 1.30 -0.19 1.71 -4.23 -1.24 -0.46 115.64 109.03 2jrl s THR 30 Ca 0.16 -1.04 -0.07 0.00 -1.18 0.00 0.00 61.69 59.56 2jrl s THR 30 Cb 0.04 -1.15 0.08 0.00 1.34 0.00 0.00 72.50 72.81 2jrl s THR 30 CO -0.01 0.10 0.41 0.00 -0.54 0.00 0.00 174.62 174.59 2jrl s ALA 31 N -0.79 -1.12 -0.96 3.99 0.00 -1.04 -4.94 121.76 116.90 2jrl s ALA 31 Ca 0.04 1.50 0.25 0.00 0.00 0.00 0.00 51.96 53.75 2jrl s ALA 31 Cb -0.08 -1.24 0.51 0.00 0.00 0.00 0.00 23.12 22.31 2jrl s ALA 31 CO 0.01 -0.66 1.41 0.36 0.00 0.00 0.00 175.76 176.89 2jrl n LYS 32 N 5.16 0.03 -3.87 0.00 0.00 -1.26 -0.71 118.16 117.51 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 0.51 -1.52 -0.14 0.00 -0.00 0.00 0.00 35.03 33.87 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 -3.02 0.02 0.01 0.58 -4.23 -1.26 -4.60 115.64 103.14 2jrl s THR 33 Ca 0.11 0.02 -0.25 0.00 -1.18 0.00 0.00 61.69 60.38 2jrl s THR 33 Cb 0.17 -0.04 -0.18 0.00 1.34 0.00 0.00 72.50 73.79 2jrl s THR 33 CO 0.70 0.02 1.33 -0.07 -0.54 0.00 0.00 174.62 176.06 2jrl h LEU 34 N 6.30 -0.17 -1.26 4.79 3.38 -1.95 -2.91 115.31 123.49 2jrl h LEU 34 Ca -0.27 -0.26 0.42 0.00 0.09 0.00 0.00 57.88 57.87 2jrl h LEU 34 Cb 1.20 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.85 2jrl h LEU 34 CO 0.51 0.18 0.75 0.08 0.09 0.00 0.00 178.44 180.05 2jrl h ARG 35 N -0.54 0.08 -0.19 1.13 -0.00 -1.98 1.18 114.38 114.06 2jrl h ARG 35 Ca -0.02 -0.00 -0.20 0.00 -0.00 0.00 0.00 59.98 59.76 2jrl h ARG 35 Cb 0.42 -0.02 0.01 0.00 -0.00 0.00 0.00 29.97 30.37 2jrl h ARG 35 CO 0.03 0.05 -0.64 1.49 -0.00 0.00 0.00 179.97 180.90 2jrl h GLU 36 N 0.08 0.78 0.00 0.08 4.57 -1.96 -2.65 114.58 115.48 2jrl h GLU 36 Ca 0.83 -0.58 -0.02 0.00 -1.18 0.00 0.00 59.36 58.40 2jrl h GLU 36 Cb 2.43 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 31.12 2jrl h GLU 36 CO -0.53 1.20 -0.12 0.00 -1.18 0.00 0.00 179.01 178.38 2jrl h ALA 37 N 0.58 0.99 0.10 2.92 0.00 0.14 -3.12 119.26 120.86 2jrl h ALA 37 Ca -0.03 -0.10 -0.28 0.00 0.00 0.00 0.00 54.91 54.50 2jrl h ALA 37 Cb 1.27 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 19.07 2jrl h ALA 37 CO 0.14 0.14 -1.14 0.93 0.00 0.00 0.00 179.25 179.32 2jrl h GLU 38 N 0.00 0.60 -0.30 0.00 5.08 -0.15 -0.92 114.58 118.88 2jrl h GLU 38 Ca -0.00 -0.77 0.01 0.00 -1.00 0.00 0.00 59.36 57.60 2jrl h GLU 38 Cb 0.73 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 2jrl h GLU 38 CO 0.01 1.34 0.18 -0.22 -1.00 0.00 0.00 179.01 179.33 2jrl h LYS 39 N 0.21 0.35 -0.03 2.33 1.63 -1.42 -2.19 116.57 117.47 2jrl h LYS 39 Ca -0.17 -0.02 -0.23 0.00 -0.85 0.00 0.00 60.65 59.38 2jrl h LYS 39 Cb 1.82 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 33.38 2jrl h LYS 39 CO 0.22 0.23 -0.91 1.57 -3.45 0.00 0.00 179.45 177.11 2jrl h LYS 40 N 0.36 0.49 -0.53 1.90 2.10 -1.64 -2.76 116.57 116.49 2jrl h LYS 40 Ca 0.12 -0.49 0.12 0.00 -2.00 0.00 0.00 60.65 58.40 2jrl h LYS 40 Cb -0.00 0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 31.43 2jrl h LYS 40 CO -0.05 1.13 0.37 0.82 -2.00 0.00 0.00 179.45 179.72 2jrl h ILE 41 N 0.29 0.81 -0.02 0.07 2.04 -0.91 0.29 117.51 120.08 2jrl h ILE 41 Ca -0.08 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2jrl h ILE 41 Cb 1.54 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 2jrl h ILE 41 CO 0.16 0.03 -0.15 0.29 0.00 0.00 0.00 178.15 178.48 2jrl n LYS 42 N -4.43 1.82 -0.08 2.37 5.02 -0.84 -4.01 118.16 118.00 2jrl n LYS 42 Ca 0.09 -1.43 0.07 0.00 -2.02 0.00 0.00 58.31 55.02 2jrl n LYS 42 Cb 0.49 -1.47 0.11 0.00 -0.02 0.00 0.00 35.03 34.13 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 0.66 1.65 -3.87 1.97 0.28 0.86 -5.02 120.64 117.18 2jrl n GLU 43 Ca 0.13 -1.65 -0.08 0.00 -0.16 0.00 0.00 57.16 55.41 2jrl n GLU 43 Cb 0.51 -1.29 -0.03 0.00 1.43 0.00 0.00 31.44 32.07 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 -1.08 -0.13 -0.27 -1.84 2.34 -0.27 -5.02 118.68 112.41 2jrl s LEU 44 Ca 0.21 -0.65 -0.13 0.00 0.06 0.00 0.00 54.13 53.62 2jrl s LEU 44 Cb 0.13 2.49 -0.04 0.00 -0.56 0.00 0.00 46.19 48.20 2jrl s LEU 44 CO 0.18 -1.28 0.28 0.12 -1.06 0.00 0.00 176.35 174.59 2jrl s PHE 45 N -3.93 3.24 -0.17 3.48 2.19 -1.26 -4.76 117.98 116.76 2jrl s PHE 45 Ca 0.13 0.27 0.01 0.00 0.33 0.00 0.00 56.93 57.67 2jrl s PHE 45 Cb -0.04 -2.47 0.02 0.00 -1.31 0.00 0.00 43.02 39.22 2jrl s PHE 45 CO 0.06 -0.18 -0.17 -0.59 1.83 0.00 0.00 175.22 176.16 2jrl s PHE 46 N 1.88 2.59 -0.02 10.12 -0.71 -1.26 -4.97 117.98 125.62 2jrl s PHE 46 Ca 0.11 -1.54 -0.21 0.00 -1.04 0.00 0.00 56.93 54.25 2jrl s PHE 46 Cb -0.16 -1.81 -0.12 0.00 -1.21 0.00 0.00 43.02 39.72 2jrl s PHE 46 CO 0.10 -0.77 0.88 -1.00 -1.34 0.00 0.00 175.22 173.10 2jrl h PRO 47 N 7.97 -0.56 -4.66 1.99 0.13 -1.94 -3.45 132.00 131.48 2jrl h PRO 47 Ca -0.42 0.04 -0.43 0.00 -0.87 0.00 0.00 66.00 64.33 2jrl h PRO 47 Cb 1.13 0.13 -0.30 0.00 0.13 0.00 0.00 31.00 32.09 2jrl h PRO 47 CO 0.59 -0.29 -0.79 0.14 -0.23 0.00 0.00 178.00 177.42 2jrl s VAL 48 N -3.89 0.79 0.03 1.56 -7.23 -1.25 -3.24 120.40 107.17 2jrl s VAL 48 Ca -0.11 -0.38 0.03 0.00 -1.81 0.00 0.00 61.98 59.71 2jrl s VAL 48 Cb 0.01 -0.69 -0.02 0.00 0.56 0.00 0.00 36.38 36.24 2jrl s VAL 48 CO 0.37 0.24 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.67 2jrl s ILE 49 N 0.09 0.80 -0.28 -0.62 1.01 -0.97 -3.45 121.20 117.78 2jrl s ILE 49 Ca -0.01 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 2jrl s ILE 49 Cb -0.07 -0.75 0.02 0.00 0.01 0.00 0.00 42.46 41.67 2jrl s ILE 49 CO 0.00 -0.06 0.01 -0.69 0.00 0.00 0.00 174.94 174.20 2jrl s VAL 50 N -0.81 3.41 -0.22 2.92 1.01 -0.19 -0.53 120.40 125.98 2jrl s VAL 50 Ca -0.01 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.08 2jrl s VAL 50 Cb -0.07 -2.76 0.05 0.00 0.00 0.00 0.00 36.38 33.60 2jrl s VAL 50 CO 0.01 0.11 -0.08 -0.22 0.00 0.00 0.00 175.10 174.92 2jrl s LEU 51 N 1.40 2.56 0.95 3.92 2.96 -0.26 0.38 118.68 130.58 2jrl s LEU 51 Ca 0.01 -1.10 -0.12 0.00 -0.22 0.00 0.00 54.13 52.70 2jrl s LEU 51 Cb -0.17 -1.23 0.16 0.00 0.50 0.00 0.00 46.19 45.45 2jrl s LEU 51 CO -0.01 -0.20 1.12 1.51 -1.32 0.00 0.00 176.35 177.45 2jrl s ASP 52 N 1.37 3.14 -0.12 3.68 -4.77 -1.12 -3.46 116.67 115.40 2jrl s ASP 52 Ca -0.05 1.04 -0.25 0.00 -3.30 0.00 0.00 52.55 50.00 2jrl s ASP 52 Cb -0.18 -1.65 -0.27 0.00 -1.09 0.00 0.00 42.92 39.73 2jrl s ASP 52 CO -0.07 -2.79 0.71 0.58 0.70 0.00 0.00 175.17 174.31 2jrl h VAL 53 N -1.66 1.53 -0.11 2.11 2.07 -0.79 -3.32 116.25 116.08 2jrl h VAL 53 Ca -0.52 -2.39 -0.02 0.00 0.82 0.00 0.00 66.70 64.59 2jrl h VAL 53 Cb 1.33 3.13 -0.00 0.00 -1.52 0.00 0.00 31.29 34.23 2jrl h VAL 53 CO 0.60 0.61 0.08 1.87 0.02 0.00 0.00 177.57 180.75 2jrl n TRP 54 N -4.38 1.03 -5.10 1.57 -0.00 -1.26 -3.74 117.44 105.56 2jrl n TRP 54 Ca -0.15 -0.25 -0.30 0.00 -0.00 0.00 0.00 57.50 56.79 2jrl n TRP 54 Cb 0.65 -2.62 -0.15 0.00 -0.00 0.00 0.00 31.31 29.18 2jrl n TRP 54 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 177.69 179.10 2jrl s MET 55 N 8.43 1.91 -0.00 5.87 1.75 -1.26 -4.49 119.30 131.51 2jrl s MET 55 Ca 0.81 -0.97 -0.24 0.00 -1.25 0.00 0.00 55.69 54.04 2jrl s MET 55 Cb -0.05 -1.94 -0.18 0.00 2.84 0.00 0.00 34.83 35.50 2jrl s MET 55 CO 0.19 0.52 1.29 -1.00 -0.65 0.00 0.00 175.02 175.37 2jrl h PRO 56 N 5.22 0.13 0.06 4.11 0.13 -1.89 -3.31 132.00 136.45 2jrl h PRO 56 Ca -0.44 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2jrl h PRO 56 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2jrl h PRO 56 CO 0.46 0.58 -0.03 0.22 -0.23 0.00 0.00 178.00 178.99 2jrl h ASP 57 N -0.32 -0.07 -3.45 1.44 3.58 -1.97 -3.47 116.42 112.15 2jrl h ASP 57 Ca 0.01 -0.12 0.22 0.00 0.42 0.00 0.00 57.03 57.56 2jrl h ASP 57 Cb 0.55 0.02 -0.25 0.00 1.72 0.00 0.00 39.33 41.37 2jrl h ASP 57 CO 0.01 0.08 0.88 -0.83 -2.88 0.00 0.00 179.24 176.50 2jrl s GLY 58 N -2.45 -0.03 0.99 -0.78 0.00 -1.25 -5.08 107.32 98.73 2jrl s GLY 58 Ca -0.14 2.52 -0.16 0.00 0.00 0.00 0.00 44.72 46.94 2jrl s GLY 58 CO 0.65 1.01 -0.24 1.22 0.00 0.00 0.00 173.10 175.74 2jrl n ASP 59 N 0.46 -3.71 0.00 1.64 8.00 -1.26 -4.49 116.55 117.19 2jrl n ASP 59 Ca -0.01 0.21 -0.16 0.00 0.71 0.00 0.00 54.79 55.53 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 -1.35 0.20 0.19 0.44 0.00 -1.66 -3.23 103.07 97.65 2jrl h GLY 60 Ca -0.44 -0.50 0.15 0.00 0.00 0.00 0.00 47.33 46.53 2jrl h GLY 60 CO 0.29 0.44 0.40 -0.24 0.00 0.00 0.00 176.54 177.43 2jrl h VAL 61 N 0.05 0.70 0.00 4.60 3.04 -1.90 0.42 116.25 123.16 2jrl h VAL 61 Ca -0.36 -0.19 -0.14 0.00 -1.01 0.00 0.00 66.70 65.00 2jrl h VAL 61 Cb 2.03 0.09 -0.02 0.00 -2.01 0.00 0.00 31.29 31.37 2jrl h VAL 61 CO 0.09 0.10 -0.65 -1.13 -1.01 0.00 0.00 177.57 174.97 2jrl h ASN 62 N 0.56 0.00 -0.45 3.17 -0.73 -1.96 -3.23 115.58 112.95 2jrl h ASN 62 Ca 0.45 0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.67 2jrl h ASN 62 Cb 0.66 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.23 2jrl h ASN 62 CO -0.38 0.65 0.30 0.15 -0.37 0.00 0.00 177.43 177.78 2jrl h PHE 63 N 0.00 0.42 -0.73 0.67 3.57 -0.94 -2.22 116.94 117.71 2jrl h PHE 63 Ca -0.01 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.65 2jrl h PHE 63 Cb 1.44 -0.14 -0.10 0.00 2.79 0.00 0.00 35.95 39.94 2jrl h PHE 63 CO 0.00 0.24 0.23 0.82 -2.23 0.00 0.00 178.31 177.37 2jrl h ILE 64 N 0.43 0.59 -0.91 1.41 2.04 -1.48 -1.28 117.51 118.30 2jrl h ILE 64 Ca 0.19 -0.12 0.24 0.00 1.00 0.00 0.00 64.86 66.17 2jrl h ILE 64 Cb 0.21 0.21 -0.17 0.00 -0.74 0.00 0.00 36.82 36.33 2jrl h ILE 64 CO -0.05 0.06 -0.04 -0.67 0.00 0.00 0.00 178.15 177.46 2jrl n ASP 65 N -5.08 -0.16 -0.09 1.72 -0.08 -0.84 0.95 116.55 112.97 2jrl n ASP 65 Ca 0.14 1.56 -0.11 0.00 -1.51 0.00 0.00 54.79 54.87 2jrl n ASP 65 Cb 0.43 -0.55 -0.04 0.00 2.34 0.00 0.00 41.12 43.31 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 0.55 0.08 -0.67 3.57 -1.41 -2.74 116.94 116.32 2jrl h PHE 66 Ca 0.53 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.93 2jrl h PHE 66 Cb 1.03 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 2jrl h PHE 66 CO -0.52 0.66 -0.09 0.82 -2.23 0.00 0.00 178.31 176.96 2jrl h ILE 67 N 0.28 0.80 0.00 1.41 2.04 0.66 -0.43 117.51 122.27 2jrl h ILE 67 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 2jrl h ILE 67 Cb 0.45 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2jrl h ILE 67 CO 0.02 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.46 2jrl n LYS 68 N -5.20 0.03 -0.02 2.37 4.76 0.85 0.14 118.16 121.08 2jrl n LYS 68 Ca -0.07 0.48 -0.21 0.00 -2.87 0.00 0.00 58.31 55.64 2jrl n LYS 68 Cb 0.13 -1.60 -0.13 0.00 -1.84 0.00 0.00 35.03 31.59 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 -1.67 0.72 -0.53 1.97 2.13 -0.29 -3.96 120.64 119.02 2jrl n GLU 69 Ca 0.00 0.28 0.04 0.00 0.66 0.00 0.00 57.16 58.15 2jrl n GLU 69 Cb 0.04 -1.69 0.22 0.00 0.27 0.00 0.00 31.44 30.28 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 -3.58 3.06 0.00 4.31 0.23 -0.47 -4.77 115.26 114.04 2jrl n ASN 70 Ca -0.34 -3.34 0.00 0.00 -0.53 0.00 0.00 54.58 50.37 2jrl n ASN 70 Cb 1.00 -0.56 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 2jrl n ASN 70 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2jrl n SER 71 N -0.90 0.00 -0.11 0.53 2.88 0.36 -4.98 113.62 111.40 2jrl n SER 71 Ca 0.25 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.66 2jrl n SER 71 Cb 0.90 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.33 2jrl n SER 71 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2jrl h PRO 72 N 0.00 0.86 0.00 -1.46 0.13 -1.69 -2.87 132.00 126.98 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 1.09 0.00 -3.47 -0.23 0.00 0.00 178.00 175.39 2jrl n ASP 73 N -4.13 0.00 -4.81 1.44 2.03 -1.26 -4.82 116.55 105.00 2jrl n ASP 73 Ca -0.03 0.29 -0.33 0.00 0.52 0.00 0.00 54.79 55.24 2jrl n ASP 73 Cb 0.52 -0.42 -0.02 0.00 -0.72 0.00 0.00 41.12 40.48 2jrl n ASP 73 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2jrl s SER 74 N -2.84 6.20 -0.09 1.67 0.15 -1.08 -4.93 113.70 112.78 2jrl s SER 74 Ca 0.16 1.81 0.02 0.00 0.70 0.00 0.00 55.95 58.64 2jrl s SER 74 Cb 0.16 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.94 2jrl s SER 74 CO 0.41 -0.88 -0.14 0.54 1.20 0.00 0.00 173.24 174.37 2jrl s VAL 75 N -2.28 1.37 0.09 4.45 0.11 -1.20 -5.00 120.40 117.95 2jrl s VAL 75 Ca 0.64 -0.59 0.09 0.00 -2.93 0.00 0.00 61.98 59.20 2jrl s VAL 75 Cb -0.15 -1.25 -0.03 0.00 -1.53 0.00 0.00 36.38 33.42 2jrl s VAL 75 CO 0.28 0.41 -0.24 -0.69 -3.33 0.00 0.00 175.10 171.53 2jrl s VAL 76 N 0.86 1.96 -0.18 2.04 1.01 -1.12 -2.28 120.40 122.68 2jrl s VAL 76 Ca -0.10 -1.52 -0.05 0.00 0.00 0.00 0.00 61.98 60.32 2jrl s VAL 76 Cb -0.15 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 2jrl s VAL 76 CO 0.01 0.12 -0.01 -0.63 0.00 0.00 0.00 175.10 174.59 2jrl s ILE 77 N -0.99 4.03 -0.24 2.22 1.09 0.31 -1.49 121.20 126.14 2jrl s ILE 77 Ca 0.10 -0.30 -0.11 0.00 -1.10 0.00 0.00 60.65 59.24 2jrl s ILE 77 Cb -0.10 -2.80 -0.05 0.00 -1.06 0.00 0.00 42.46 38.46 2jrl s ILE 77 CO 0.04 0.46 0.18 -0.69 -0.10 0.00 0.00 174.94 174.83 2jrl s VAL 78 N 0.62 5.35 0.01 2.92 1.01 -1.18 -1.11 120.40 128.01 2jrl s VAL 78 Ca -0.01 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.23 2jrl s VAL 78 Cb -0.14 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 2jrl s VAL 78 CO 0.02 0.34 -0.11 0.27 0.00 0.00 0.00 175.10 175.62 2jrl s ILE 79 N 1.09 0.88 -0.11 2.22 -4.36 -1.22 -3.24 121.20 116.45 2jrl s ILE 79 Ca 0.09 -0.62 -0.14 0.00 -0.26 0.00 0.00 60.65 59.71 2jrl s ILE 79 Cb -0.14 -0.76 0.04 0.00 1.25 0.00 0.00 42.46 42.85 2jrl s ILE 79 CO 0.05 0.14 0.38 0.28 0.24 0.00 0.00 174.94 176.03 2jrl s THR 80 N -0.46 0.01 -0.38 8.37 -1.32 -1.09 0.00 115.64 120.77 2jrl s THR 80 Ca 0.03 -0.10 0.23 0.00 -1.21 0.00 0.00 61.69 60.63 2jrl s THR 80 Cb -0.05 -0.57 0.14 0.00 -1.51 0.00 0.00 72.50 70.50 2jrl s THR 80 CO 0.00 -0.06 1.31 1.23 -2.21 0.00 0.00 174.62 174.89 2jrl h GLY 81 N 5.09 0.00 2.00 6.08 0.00 -1.88 -2.96 103.07 111.39 2jrl h GLY 81 Ca -0.27 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 2jrl h GLY 81 CO 0.30 0.00 -0.26 0.45 0.00 0.00 0.00 176.54 177.02 2jrl h HIS 82 N 0.00 0.00 -2.95 5.60 3.86 -1.99 -3.43 115.15 116.24 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 0.96 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.43 2jrl h HIS 82 CO 0.00 0.26 -0.70 0.41 0.86 0.00 0.00 177.93 178.76 2jrl n GLY 83 N -0.72 -4.46 3.16 2.45 0.00 -1.25 -5.09 105.19 99.28 2jrl n GLY 83 Ca -0.02 -0.67 0.04 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.28 -0.02 0.10 1.61 0.15 -1.26 -5.05 113.70 106.95 2jrl s SER 84 Ca 0.00 0.02 -0.17 0.00 0.70 0.00 0.00 55.95 56.51 2jrl s SER 84 Cb 0.00 1.02 -0.07 0.00 -1.71 0.00 0.00 66.02 65.26 2jrl s SER 84 CO 0.00 -0.00 1.50 1.62 1.20 0.00 0.00 173.24 177.55 2jrl h VAL 85 N 5.02 1.28 0.69 4.45 3.04 -1.98 -0.53 116.25 128.22 2jrl h VAL 85 Ca -0.12 -1.10 -0.03 0.00 -1.01 0.00 0.00 66.70 64.44 2jrl h VAL 85 Cb 1.14 1.37 -0.01 0.00 -2.01 0.00 0.00 31.29 31.79 2jrl h VAL 85 CO -0.02 0.35 -0.47 0.44 -1.01 0.00 0.00 177.57 176.86 2jrl h ASP 86 N 0.35 -1.22 -0.05 3.17 3.32 -2.00 -1.15 116.42 118.85 2jrl h ASP 86 Ca 0.08 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2jrl h ASP 86 Cb 0.55 0.37 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 2jrl h ASP 86 CO 0.03 -0.70 0.00 0.74 -1.72 0.00 0.00 179.24 177.59 2jrl h THR 87 N -1.11 1.07 -0.09 0.35 2.02 -1.97 -2.63 112.91 110.55 2jrl h THR 87 Ca -0.09 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 2jrl h THR 87 Cb 0.91 0.99 -0.00 0.00 -1.74 0.00 0.00 68.15 68.30 2jrl h THR 87 CO 0.06 0.09 0.04 0.00 0.37 0.00 0.00 175.52 176.08 2jrl h ALA 88 N 1.86 0.12 0.41 6.16 0.00 -0.64 -1.80 119.26 125.37 2jrl h ALA 88 Ca 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2jrl h ALA 88 Cb 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2jrl h ALA 88 CO 0.00 -0.32 -0.42 0.28 0.00 0.00 0.00 179.25 178.79 2jrl h VAL 89 N 0.03 0.00 -0.31 0.00 2.07 -0.85 -0.27 116.25 116.92 2jrl h VAL 89 Ca 0.03 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.64 2jrl h VAL 89 Cb 0.12 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 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 -0.84 0.00 0.00 1.57 2.10 -1.56 0.84 116.57 118.68 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 0.73 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 2jrl h LYS 90 CO -0.06 0.00 -0.28 0.00 -2.00 0.00 0.00 179.45 177.12 2jrl n ALA 91 N -2.27 2.60 0.02 0.07 0.00 -0.50 -2.78 120.51 117.65 2jrl n ALA 91 Ca 0.05 -0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.16 2jrl n ALA 91 Cb 0.54 -1.33 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 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 0.75 0.00 0.00 1.08 0.24 -2.14 117.51 117.44 2jrl h ILE 92 Ca 0.00 -2.45 0.00 0.00 -0.39 0.00 0.00 64.86 62.02 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 0.85 -0.07 2.29 -0.69 0.00 0.00 178.15 180.52 2jrl n LYS 93 N -3.46 0.13 -0.00 2.37 2.85 -0.84 -3.74 118.16 115.47 2jrl n LYS 93 Ca -0.28 0.09 -0.01 0.00 -1.05 0.00 0.00 58.31 57.07 2jrl n LYS 93 Cb 1.05 -1.64 -0.00 0.00 -0.65 0.00 0.00 35.03 33.79 2jrl n LYS 93 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2jrl h LYS 94 N 0.00 -0.06 0.00 -1.58 1.63 -1.65 -3.47 116.57 111.44 2jrl h LYS 94 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2jrl h LYS 94 Cb 0.61 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 2jrl h LYS 94 CO 0.00 -0.04 0.00 0.41 -3.45 0.00 0.00 179.45 176.37 2jrl n GLY 95 N 1.60 0.48 3.56 5.01 0.00 -1.24 -4.91 105.19 109.70 2jrl n GLY 95 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 3.51 0.26 4.61 0.00 -0.80 -2.80 121.76 126.53 2jrl s ALA 96 Ca 0.00 -1.19 0.08 0.00 0.00 0.00 0.00 51.96 50.85 2jrl s ALA 96 Cb 0.00 -2.53 0.30 0.00 0.00 0.00 0.00 23.12 20.89 2jrl s ALA 96 CO 0.00 -0.69 1.58 -0.92 0.00 0.00 0.00 175.76 175.73 2jrl h TYR 97 N 8.41 0.09 -2.76 0.00 3.20 -1.54 -3.40 116.97 120.97 2jrl h TYR 97 Ca -0.34 -0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.39 2jrl h TYR 97 Cb 1.18 -0.02 -0.20 0.00 1.54 0.00 0.00 36.73 39.23 2jrl h TYR 97 CO 0.72 0.68 -0.16 -2.00 -1.64 0.00 0.00 178.16 175.77 2jrl s GLU 98 N -3.61 0.75 -0.27 1.82 2.56 -1.26 -5.09 118.70 113.60 2jrl s GLU 98 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.97 54.92 2jrl s GLU 98 Cb 0.12 0.34 0.03 0.00 2.00 0.00 0.00 34.13 36.62 2jrl s GLU 98 CO 0.78 -0.21 -0.03 0.12 -0.56 0.00 0.00 175.26 175.36 2jrl s PHE 99 N -1.15 3.12 -0.04 5.30 5.36 -1.26 -3.09 117.98 126.23 2jrl s PHE 99 Ca -0.12 -1.59 0.05 0.00 -0.96 0.00 0.00 56.93 54.31 2jrl s PHE 99 Cb -0.04 -2.09 -0.01 0.00 -0.34 0.00 0.00 43.02 40.55 2jrl s PHE 99 CO 0.05 -0.74 -0.19 -0.51 -1.46 0.00 0.00 175.22 172.37 2jrl s LEU 100 N 1.32 1.97 0.00 6.12 1.43 -1.20 -5.05 118.68 123.28 2jrl s LEU 100 Ca -0.01 -0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 52.58 2jrl s LEU 100 Cb -0.17 -1.06 0.19 0.00 0.03 0.00 0.00 46.19 45.17 2jrl s LEU 100 CO -0.03 0.19 0.66 -0.62 0.23 0.00 0.00 176.35 176.78 2jrl n GLU 101 N 2.98 -2.39 0.39 1.70 1.02 -1.26 -2.68 120.64 120.40 2jrl n GLU 101 Ca -0.17 -1.06 -0.18 0.00 -0.02 0.00 0.00 57.16 55.74 2jrl n GLU 101 Cb 0.53 -1.00 -0.09 0.00 -0.02 0.00 0.00 31.44 30.86 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 -1.04 -6.39 3.49 1.63 -1.79 -3.42 116.57 109.05 2jrl h LYS 102 Ca -0.25 0.07 -0.54 0.00 -0.85 0.00 0.00 60.65 59.08 2jrl h LYS 102 Cb 0.77 0.24 0.00 0.00 -0.60 0.00 0.00 32.23 32.63 2jrl h LYS 102 CO 0.16 -0.69 0.86 -1.25 -3.45 0.00 0.00 179.45 175.08 2jrl s PRO 103 N -5.59 4.27 -0.00 1.90 0.04 -1.26 -5.00 135.00 129.36 2jrl s PRO 103 Ca -0.17 2.03 -0.21 0.00 0.04 0.00 0.00 61.00 62.68 2jrl s PRO 103 Cb 0.03 -3.57 0.04 0.00 0.04 0.00 0.00 34.50 31.04 2jrl s PRO 103 CO 0.53 -0.60 0.48 -0.59 0.04 0.00 0.00 177.00 176.86 2jrl s PHE 104 N 2.40 -0.38 0.13 0.56 -0.12 -1.26 -5.12 117.98 114.20 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 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.28 2jrl s PHE 104 CO 0.27 -0.54 0.02 -1.12 -0.05 0.00 0.00 175.22 173.80 2jrl s SER 105 N -1.56 4.99 0.56 1.98 0.01 -1.26 -4.95 113.70 113.47 2jrl s SER 105 Ca -0.09 -0.26 0.33 0.00 1.31 0.00 0.00 55.95 57.23 2jrl s SER 105 Cb -0.02 -1.15 1.47 0.00 0.21 0.00 0.00 66.02 66.53 2jrl s SER 105 CO 0.03 0.12 1.81 1.62 0.41 0.00 0.00 173.24 177.24 2jrl h VAL 106 N 2.59 0.40 0.09 3.43 3.04 -2.02 0.46 116.25 124.25 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 1.18 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.93 2jrl h VAL 106 CO 0.59 0.00 -0.04 -0.08 -1.01 0.00 0.00 177.57 177.03 2jrl h GLU 107 N 0.00 -0.12 0.00 4.17 4.22 -1.99 0.21 114.58 121.07 2jrl h GLU 107 Ca 0.43 0.01 -0.20 0.00 0.08 0.00 0.00 59.36 59.68 2jrl h GLU 107 Cb 1.89 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 31.14 2jrl h GLU 107 CO -0.00 -0.00 -1.06 -0.09 -2.18 0.00 0.00 179.01 175.67 2jrl h ARG 108 N -0.21 0.00 -0.04 1.92 9.65 -1.37 -3.07 114.38 121.27 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 0.17 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.75 2jrl h ARG 108 CO 0.02 0.73 -0.02 0.35 2.80 0.00 0.00 179.97 183.85 2jrl h PHE 109 N 0.00 0.09 -0.63 2.20 3.04 -0.12 -2.69 116.94 118.82 2jrl h PHE 109 Ca -0.07 -0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.79 2jrl h PHE 109 Cb 1.71 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 40.17 2jrl h PHE 109 CO 0.00 0.49 0.15 1.37 -2.02 0.00 0.00 178.31 178.30 2jrl h LEU 110 N -0.34 0.93 -1.68 0.59 8.10 -0.72 -2.41 115.31 119.79 2jrl h LEU 110 Ca 0.01 -0.19 -0.01 0.00 0.11 0.00 0.00 57.88 57.80 2jrl h LEU 110 Cb 0.47 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 40.43 2jrl h LEU 110 CO 0.01 0.91 0.11 0.25 -4.11 0.00 0.00 178.44 175.60 2jrl h LEU 111 N 0.95 0.28 -0.01 0.17 5.85 -1.53 -1.46 115.31 119.55 2jrl h LEU 111 Ca 0.20 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 2jrl h LEU 111 Cb 0.34 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 2jrl h LEU 111 CO 0.00 0.25 0.00 0.74 -0.34 0.00 0.00 178.44 179.09 2jrl h THR 112 N 0.32 1.22 0.79 1.05 2.02 -1.08 -2.53 112.91 114.71 2jrl h THR 112 Ca 0.08 -0.66 -0.04 0.00 0.77 0.00 0.00 66.41 66.57 2jrl h THR 112 Cb 0.04 1.64 0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2jrl h THR 112 CO -0.01 0.17 -0.38 0.40 0.37 0.00 0.00 175.52 176.07 2jrl h ILE 113 N -0.25 0.04 -0.94 3.11 1.08 -1.38 0.36 117.51 119.53 2jrl h ILE 113 Ca 0.00 -0.20 0.26 0.00 -0.39 0.00 0.00 64.86 64.54 2jrl h ILE 113 Cb 0.28 0.05 -0.17 0.00 -3.07 0.00 0.00 36.82 33.91 2jrl h ILE 113 CO 0.00 0.00 0.11 0.50 -0.69 0.00 0.00 178.15 178.07 2jrl h LYS 114 N -1.26 0.06 0.00 2.37 3.64 -1.37 1.01 116.57 121.02 2jrl h LYS 114 Ca -0.11 -0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.10 2jrl h LYS 114 Cb 0.82 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 2jrl h LYS 114 CO 0.18 0.04 -0.81 0.45 -2.27 0.00 0.00 179.45 177.04 2jrl h HIS 115 N 0.06 0.00 -0.69 1.91 3.86 -1.38 -3.18 115.15 115.74 2jrl h HIS 115 Ca 0.59 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.91 2jrl h HIS 115 Cb 1.23 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.62 2jrl h HIS 115 CO -0.40 0.81 0.27 0.00 0.86 0.00 0.00 177.93 179.47 2jrl h ALA 116 N 1.19 0.93 0.24 2.45 0.00 0.53 -0.47 119.26 124.13 2jrl h ALA 116 Ca -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2jrl h ALA 116 Cb 1.52 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2jrl h ALA 116 CO 0.11 -0.18 -0.11 0.74 0.00 0.00 0.00 179.25 179.80 2jrl h PHE 117 N 0.44 -0.30 -1.02 0.00 -1.00 -1.48 -2.35 116.94 111.24 2jrl h PHE 117 Ca 0.36 -0.01 0.42 0.00 2.81 0.00 0.00 57.97 61.55 2jrl h PHE 117 Cb 0.49 0.10 -0.18 0.00 3.61 0.00 0.00 35.95 39.97 2jrl h PHE 117 CO -0.16 -0.18 0.56 0.39 -1.61 0.00 0.00 178.31 177.30 2jrl n GLU 118 N -4.17 -0.06 0.10 1.51 1.02 -1.18 -0.14 120.64 117.72 2jrl n GLU 118 Ca -0.04 1.36 -0.11 0.00 -0.02 0.00 0.00 57.16 58.35 2jrl n GLU 118 Cb 0.13 -2.46 -0.07 0.00 -0.02 0.00 0.00 31.44 29.01 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 -0.31 -0.97 3.49 4.81 -1.14 -3.22 114.58 117.25 2jrl h GLU 119 Ca 0.85 0.02 0.17 0.00 -0.13 0.00 0.00 59.36 60.27 2jrl h GLU 119 Cb 2.27 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 31.63 2jrl h GLU 119 CO -0.75 0.06 0.61 -0.92 -0.73 0.00 0.00 179.01 177.28 2jrl h TYR 120 N -0.85 0.94 0.00 0.92 3.20 0.04 -3.52 116.97 117.70 2jrl h TYR 120 Ca -0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2jrl h TYR 120 Cb 0.51 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.49 2jrl h TYR 120 CO 0.06 0.27 0.00 0.45 -1.64 0.00 0.00 178.16 177.30