#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 -1.42 -2.60 2.12 4.76 -1.26 -4.73 118.16 115.02 2jrl n LYS 2 Ca 0.00 1.06 -0.42 0.00 -2.87 0.00 0.00 58.31 56.08 2jrl n LYS 2 Cb 0.00 -5.42 -0.03 0.00 -1.84 0.00 0.00 35.03 27.75 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 -3.62 3.38 0.02 1.97 0.52 -1.26 -1.58 118.95 118.38 2jrl s ARG 3 Ca 0.00 0.02 0.07 0.00 -0.52 0.00 0.00 55.73 55.30 2jrl s ARG 3 Cb 0.00 -4.08 -0.03 0.00 0.52 0.00 0.00 34.95 31.37 2jrl s ARG 3 CO 0.00 -1.82 -0.22 0.08 0.02 0.00 0.00 175.30 173.37 2jrl s VAL 4 N 5.09 2.47 -0.20 3.52 1.01 -0.98 -3.67 120.40 127.65 2jrl s VAL 4 Ca 0.39 -1.17 0.01 0.00 0.00 0.00 0.00 61.98 61.21 2jrl s VAL 4 Cb -0.08 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.36 2jrl s VAL 4 CO 0.21 0.43 -0.16 -0.22 0.00 0.00 0.00 175.10 175.36 2jrl s LEU 5 N -1.11 2.42 -0.42 3.92 2.96 -1.23 -2.20 118.68 123.03 2jrl s LEU 5 Ca 0.12 -0.84 -0.19 0.00 -0.22 0.00 0.00 54.13 53.01 2jrl s LEU 5 Cb -0.10 -1.45 0.02 0.00 0.50 0.00 0.00 46.19 45.16 2jrl s LEU 5 CO 0.02 -0.06 0.52 -0.69 -1.32 0.00 0.00 176.35 174.82 2jrl s VAL 6 N 1.27 4.98 -0.34 1.68 1.01 0.50 -0.39 120.40 129.11 2jrl s VAL 6 Ca 0.01 -0.09 -0.14 0.00 0.00 0.00 0.00 61.98 61.76 2jrl s VAL 6 Cb -0.15 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 2jrl s VAL 6 CO -0.10 -0.46 0.30 -0.69 0.00 0.00 0.00 175.10 174.14 2jrl s VAL 7 N 2.43 5.23 -0.29 2.92 1.01 0.13 -2.37 120.40 129.46 2jrl s VAL 7 Ca 0.17 -0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.91 2jrl s VAL 7 Cb -0.16 -3.76 0.13 0.00 0.00 0.00 0.00 36.38 32.59 2jrl s VAL 7 CO 0.16 -0.04 0.93 -0.62 0.00 0.00 0.00 175.10 175.53 2jrl s ASP 8 N 1.73 -0.58 0.00 3.32 -1.08 0.28 -2.66 116.67 117.68 2jrl s ASP 8 Ca 0.09 0.95 0.00 0.00 -0.52 0.00 0.00 52.55 53.07 2jrl s ASP 8 Cb -0.17 1.19 0.00 0.00 -1.46 0.00 0.00 42.92 42.48 2jrl s ASP 8 CO 0.11 -0.15 0.55 -0.90 0.52 0.00 0.00 175.17 175.29 2jrl n ASP 9 N 3.55 0.20 -4.07 -0.34 5.75 -1.26 -4.31 116.55 116.06 2jrl n ASP 9 Ca -0.18 -1.29 -0.35 0.00 -0.01 0.00 0.00 54.79 52.96 2jrl n ASP 9 Cb 0.58 -0.10 -0.09 0.00 -1.03 0.00 0.00 41.12 40.48 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 -1.69 2.84 0.62 0.11 2.56 -1.26 -4.91 118.70 116.97 2jrl s GLU 10 Ca 0.00 -2.95 0.30 0.00 0.00 0.00 0.00 54.97 52.31 2jrl s GLU 10 Cb 0.00 -3.78 1.59 0.00 2.00 0.00 0.00 34.13 33.94 2jrl s GLU 10 CO 0.00 -1.22 1.96 1.49 -0.56 0.00 0.00 175.26 176.92 2jrl h GLU 11 N 6.39 0.00 -0.28 4.30 4.81 -1.99 -0.03 114.58 127.77 2jrl h GLU 11 Ca 0.08 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2jrl h GLU 11 Cb 0.87 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 2jrl h GLU 11 CO 0.77 0.00 -0.05 1.03 -0.73 0.00 0.00 179.01 180.03 2jrl h SER 12 N 0.00 0.54 0.22 1.04 0.87 -1.95 -2.12 113.55 112.15 2jrl h SER 12 Ca 0.11 -0.35 -0.01 0.00 -1.23 0.00 0.00 61.79 60.30 2jrl h SER 12 Cb 0.83 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2jrl h SER 12 CO -0.00 0.77 -0.11 0.40 -0.53 0.00 0.00 176.83 177.36 2jrl h ILE 13 N 0.30 0.39 -1.12 2.23 1.08 -1.44 -3.22 117.51 115.73 2jrl h ILE 13 Ca 0.07 -0.95 0.31 0.00 -0.39 0.00 0.00 64.86 63.90 2jrl h ILE 13 Cb 0.52 0.67 -0.09 0.00 -3.07 0.00 0.00 36.82 34.85 2jrl h ILE 13 CO 0.03 0.11 0.73 0.71 -0.69 0.00 0.00 178.15 179.04 2jrl h THR 14 N -1.01 0.43 -0.63 -0.27 1.35 -1.47 0.33 112.91 111.64 2jrl h THR 14 Ca -0.03 -0.09 -0.01 0.00 -0.55 0.00 0.00 66.41 65.72 2jrl h THR 14 Cb 0.40 0.13 -0.03 0.00 -1.73 0.00 0.00 68.15 66.92 2jrl h THR 14 CO 0.05 0.05 0.35 0.28 -0.25 0.00 0.00 175.52 176.00 2jrl h SER 15 N 0.28 0.78 0.17 5.36 0.02 -1.43 0.89 113.55 119.61 2jrl h SER 15 Ca 0.63 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.48 2jrl h SER 15 Cb 1.83 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 64.17 2jrl h SER 15 CO -0.28 0.65 -0.08 0.28 -1.14 0.00 0.00 176.83 176.26 2jrl h SER 16 N 0.85 -0.20 -0.11 3.07 0.02 -0.42 -2.68 113.55 114.10 2jrl h SER 16 Ca 0.22 -0.34 0.03 0.00 -0.84 0.00 0.00 61.79 60.86 2jrl h SER 16 Cb 0.04 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 2jrl h SER 16 CO -0.04 0.32 0.12 -0.07 -1.14 0.00 0.00 176.83 176.03 2jrl h LEU 17 N -0.80 0.00 -0.26 5.07 4.07 -1.19 0.26 115.31 122.45 2jrl h LEU 17 Ca -0.02 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.75 2jrl h LEU 17 Cb 0.52 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 2jrl h LEU 17 CO 0.04 0.00 -0.87 0.28 -1.08 0.00 0.00 178.44 176.81 2jrl h SER 18 N 0.00 0.02 -0.34 -0.43 0.02 -0.77 -2.49 113.55 109.57 2jrl h SER 18 Ca 0.05 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.89 2jrl h SER 18 Cb 0.29 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 2jrl h SER 18 CO -0.00 0.88 -0.12 0.00 -1.14 0.00 0.00 176.83 176.45 2jrl h ALA 19 N 1.12 0.47 -0.10 3.77 0.00 -0.59 -1.46 119.26 122.48 2jrl h ALA 19 Ca -0.01 -0.32 -0.18 0.00 0.00 0.00 0.00 54.91 54.40 2jrl h ALA 19 Cb 1.54 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2jrl h ALA 19 CO 0.12 0.36 -0.69 0.82 0.00 0.00 0.00 179.25 179.85 2jrl h ILE 20 N 0.47 1.37 -0.11 0.00 1.08 -1.56 -2.46 117.51 116.28 2jrl h ILE 20 Ca 0.08 -2.07 -0.02 0.00 -0.39 0.00 0.00 64.86 62.47 2jrl h ILE 20 Cb 0.64 2.05 -0.00 0.00 -3.07 0.00 0.00 36.82 36.44 2jrl h ILE 20 CO 0.04 0.62 0.01 0.25 -0.69 0.00 0.00 178.15 178.38 2jrl h LEU 21 N 0.30 0.19 -1.68 1.44 5.85 -1.39 -2.74 115.31 117.28 2jrl h LEU 21 Ca -0.02 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 2jrl h LEU 21 Cb 1.26 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 2jrl h LEU 21 CO 0.12 0.44 -0.13 -0.08 -0.34 0.00 0.00 178.44 178.45 2jrl h GLU 22 N -0.06 0.00 -0.45 1.25 4.22 -1.31 -1.57 114.58 116.67 2jrl h GLU 22 Ca 0.03 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 59.34 2jrl h GLU 22 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2jrl h GLU 22 CO 0.00 0.13 -0.25 1.49 -2.18 0.00 0.00 179.01 178.20 2jrl h GLU 23 N 0.00 0.94 0.00 1.92 4.81 -1.15 -2.44 114.58 118.66 2jrl h GLU 23 Ca -0.00 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2jrl h GLU 23 Cb 0.47 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2jrl h GLU 23 CO 0.02 1.08 0.00 0.39 -0.73 0.00 0.00 179.01 179.77 2jrl n GLU 24 N -4.10 0.92 -0.08 1.92 -0.58 -1.04 -4.82 120.64 112.87 2jrl n GLU 24 Ca -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2jrl n GLU 24 Cb 0.47 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 30.11 2jrl n GLU 24 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jrl n GLY 25 N 0.62 0.94 3.68 0.62 0.00 -0.92 -5.05 105.19 105.08 2jrl n GLY 25 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.42 1.83 -0.57 1.61 2.02 -0.62 -4.95 117.35 114.25 2jrl s TYR 26 Ca 0.00 0.84 0.03 0.00 -0.37 0.00 0.00 57.07 57.56 2jrl s TYR 26 Cb 0.00 -3.35 0.14 0.00 -0.40 0.00 0.00 41.96 38.36 2jrl s TYR 26 CO 0.00 -3.04 0.34 -1.01 -1.57 0.00 0.00 175.55 170.27 2jrl s HIS 27 N -3.05 3.29 0.46 2.71 3.76 -0.61 -3.87 115.29 117.98 2jrl s HIS 27 Ca 0.66 -3.10 -0.23 0.00 -0.15 0.00 0.00 55.06 52.25 2jrl s HIS 27 Cb -0.16 -2.90 -0.07 0.00 1.11 0.00 0.00 32.58 30.56 2jrl s HIS 27 CO 0.57 -0.74 1.16 -1.25 -0.85 0.00 0.00 174.74 173.63 2jrl s PRO 28 N -0.41 3.77 0.16 8.40 0.04 -1.25 -2.31 135.00 143.39 2jrl s PRO 28 Ca 0.18 1.78 0.03 0.00 0.04 0.00 0.00 61.00 63.02 2jrl s PRO 28 Cb -0.22 -2.42 -0.05 0.00 0.04 0.00 0.00 34.50 31.86 2jrl s PRO 28 CO -0.03 -0.54 -0.04 0.34 0.04 0.00 0.00 177.00 176.77 2jrl s ASP 29 N -1.35 1.44 0.05 6.66 -1.08 -0.93 -4.93 116.67 116.53 2jrl s ASP 29 Ca 0.63 -1.10 0.06 0.00 -0.52 0.00 0.00 52.55 51.63 2jrl s ASP 29 Cb -0.29 0.06 -0.03 0.00 -1.46 0.00 0.00 42.92 41.21 2jrl s ASP 29 CO 0.35 -0.47 -0.18 0.42 0.52 0.00 0.00 175.17 175.81 2jrl s THR 30 N -3.53 1.43 -0.23 1.71 -4.23 -1.24 -0.37 115.64 109.19 2jrl s THR 30 Ca 0.20 -1.19 -0.08 0.00 -1.18 0.00 0.00 61.69 59.43 2jrl s THR 30 Cb 0.05 -1.28 0.10 0.00 1.34 0.00 0.00 72.50 72.71 2jrl s THR 30 CO 0.02 0.06 0.49 0.00 -0.54 0.00 0.00 174.62 174.65 2jrl s ALA 31 N -0.91 -1.44 -1.01 3.99 0.00 -1.00 -4.92 121.76 116.47 2jrl s ALA 31 Ca 0.04 1.78 0.26 0.00 0.00 0.00 0.00 51.96 54.04 2jrl s ALA 31 Cb -0.09 -1.45 0.62 0.00 0.00 0.00 0.00 23.12 22.19 2jrl s ALA 31 CO 0.02 -0.79 1.49 0.36 0.00 0.00 0.00 175.76 176.84 2jrl n LYS 32 N 5.36 0.01 -3.85 0.00 0.00 -1.26 -0.56 118.16 117.86 2jrl n LYS 32 Ca -0.10 -0.01 -0.12 0.00 -0.00 0.00 0.00 58.31 58.08 2jrl n LYS 32 Cb 0.50 -1.50 -0.14 0.00 -0.00 0.00 0.00 35.03 33.88 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 -2.99 -0.01 0.02 0.58 -4.23 -1.26 -4.57 115.64 103.18 2jrl s THR 33 Ca 0.12 0.03 -0.25 0.00 -1.18 0.00 0.00 61.69 60.40 2jrl s THR 33 Cb 0.18 -0.03 -0.17 0.00 1.34 0.00 0.00 72.50 73.82 2jrl s THR 33 CO 0.67 0.01 1.34 -0.07 -0.54 0.00 0.00 174.62 176.03 2jrl h LEU 34 N 6.29 -0.23 -0.99 4.79 3.38 -1.94 -3.00 115.31 123.60 2jrl h LEU 34 Ca -0.27 -0.21 0.37 0.00 0.09 0.00 0.00 57.88 57.86 2jrl h LEU 34 Cb 1.20 0.06 -0.17 0.00 0.09 0.00 0.00 40.66 41.84 2jrl h LEU 34 CO 0.50 0.10 0.46 0.08 0.09 0.00 0.00 178.44 179.67 2jrl h ARG 35 N -0.59 0.07 -0.53 1.13 -0.00 -1.99 1.17 114.38 113.64 2jrl h ARG 35 Ca -0.03 -0.00 -0.11 0.00 -0.00 0.00 0.00 59.98 59.84 2jrl h ARG 35 Cb 0.43 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.97 30.37 2jrl h ARG 35 CO 0.05 0.05 -0.10 1.49 -0.00 0.00 0.00 179.97 181.46 2jrl h GLU 36 N 0.07 1.01 0.00 0.08 4.57 -1.97 -2.42 114.58 115.92 2jrl h GLU 36 Ca 0.78 -0.37 -0.01 0.00 -1.18 0.00 0.00 59.36 58.58 2jrl h GLU 36 Cb 1.94 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 30.47 2jrl h GLU 36 CO -0.75 1.05 -0.04 0.00 -1.18 0.00 0.00 179.01 178.08 2jrl h ALA 37 N 0.92 1.02 0.13 2.92 0.00 0.14 -3.02 119.26 121.36 2jrl h ALA 37 Ca 0.14 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.77 2jrl h ALA 37 Cb 0.66 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.47 2jrl h ALA 37 CO 0.05 0.06 -1.02 0.93 0.00 0.00 0.00 179.25 179.27 2jrl h GLU 38 N 0.00 0.46 0.03 0.00 5.08 -0.52 -1.84 114.58 117.79 2jrl h GLU 38 Ca -0.00 -0.67 0.02 0.00 -1.00 0.00 0.00 59.36 57.71 2jrl h GLU 38 Cb 0.54 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 2jrl h GLU 38 CO 0.01 1.29 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.97 2jrl h LYS 39 N -0.05 -0.21 -0.03 2.33 1.63 -1.32 -2.19 116.57 116.73 2jrl h LYS 39 Ca -0.16 0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 59.53 2jrl h LYS 39 Cb 1.76 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 33.42 2jrl h LYS 39 CO 0.19 -0.14 -0.55 1.57 -3.45 0.00 0.00 179.45 177.07 2jrl h LYS 40 N -0.22 0.09 -0.74 1.90 2.10 -1.67 -2.78 116.57 115.26 2jrl h LYS 40 Ca 0.03 -0.06 0.07 0.00 -2.00 0.00 0.00 60.65 58.70 2jrl h LYS 40 Cb 0.26 0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 31.53 2jrl h LYS 40 CO -0.10 0.62 0.42 0.82 -2.00 0.00 0.00 179.45 179.21 2jrl h ILE 41 N 0.07 0.96 -0.10 0.07 2.04 -0.83 0.44 117.51 120.17 2jrl h ILE 41 Ca -0.00 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2jrl h ILE 41 Cb 1.00 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2jrl h ILE 41 CO 0.08 0.14 0.00 0.29 0.00 0.00 0.00 178.15 178.65 2jrl n LYS 42 N -4.75 1.69 0.00 2.37 5.02 -0.87 -3.56 118.16 118.06 2jrl n LYS 42 Ca 0.10 -1.03 0.08 0.00 -2.02 0.00 0.00 58.31 55.45 2jrl n LYS 42 Cb 0.20 -1.44 0.04 0.00 -0.02 0.00 0.00 35.03 33.82 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 0.24 1.48 -3.85 1.97 0.28 0.02 -5.01 120.64 115.78 2jrl n GLU 43 Ca 0.18 -1.18 -0.08 0.00 -0.16 0.00 0.00 57.16 55.92 2jrl n GLU 43 Cb 0.34 -1.29 -0.03 0.00 1.43 0.00 0.00 31.44 31.89 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 -1.66 -0.18 -0.23 -1.84 2.34 -0.48 -5.03 118.68 111.60 2jrl s LEU 44 Ca 0.17 -0.61 -0.17 0.00 0.06 0.00 0.00 54.13 53.57 2jrl s LEU 44 Cb 0.13 2.56 -0.03 0.00 -0.56 0.00 0.00 46.19 48.29 2jrl s LEU 44 CO 0.29 -1.28 0.45 0.12 -1.06 0.00 0.00 176.35 174.87 2jrl s PHE 45 N -3.92 3.31 -0.18 3.48 2.19 -1.26 -4.75 117.98 116.85 2jrl s PHE 45 Ca 0.12 0.61 0.01 0.00 0.33 0.00 0.00 56.93 58.00 2jrl s PHE 45 Cb -0.05 -2.62 0.03 0.00 -1.31 0.00 0.00 43.02 39.07 2jrl s PHE 45 CO 0.06 -0.16 -0.14 -0.59 1.83 0.00 0.00 175.22 176.22 2jrl s PHE 46 N 1.84 2.41 -0.02 10.12 -0.71 -1.26 -4.96 117.98 125.40 2jrl s PHE 46 Ca 0.20 -1.47 -0.21 0.00 -1.04 0.00 0.00 56.93 54.40 2jrl s PHE 46 Cb -0.15 -1.68 -0.13 0.00 -1.21 0.00 0.00 43.02 39.84 2jrl s PHE 46 CO 0.09 -0.73 0.92 -1.00 -1.34 0.00 0.00 175.22 173.16 2jrl h PRO 47 N 7.99 -0.51 -4.42 1.99 0.13 -1.95 -3.45 132.00 131.79 2jrl h PRO 47 Ca -0.35 0.03 -0.38 0.00 -0.87 0.00 0.00 66.00 64.43 2jrl h PRO 47 Cb 1.12 0.11 -0.30 0.00 0.13 0.00 0.00 31.00 32.06 2jrl h PRO 47 CO 0.53 -0.21 -0.77 0.14 -0.23 0.00 0.00 178.00 177.45 2jrl s VAL 48 N -3.94 0.60 0.04 1.56 -7.23 -1.24 -2.98 120.40 107.21 2jrl s VAL 48 Ca -0.12 -0.27 0.04 0.00 -1.81 0.00 0.00 61.98 59.82 2jrl s VAL 48 Cb 0.01 -0.54 -0.02 0.00 0.56 0.00 0.00 36.38 36.39 2jrl s VAL 48 CO 0.40 0.19 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.64 2jrl s ILE 49 N 0.16 0.91 -0.19 -0.62 1.01 -0.81 -3.46 121.20 118.19 2jrl s ILE 49 Ca -0.02 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 59.67 2jrl s ILE 49 Cb -0.07 -0.85 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 2jrl s ILE 49 CO -0.00 -0.07 -0.09 -0.69 0.00 0.00 0.00 174.94 174.09 2jrl s VAL 50 N -0.89 3.10 -0.18 2.92 1.01 0.48 -0.18 120.40 126.66 2jrl s VAL 50 Ca -0.01 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 2jrl s VAL 50 Cb -0.08 -2.37 0.05 0.00 0.00 0.00 0.00 36.38 33.98 2jrl s VAL 50 CO 0.01 0.47 -0.01 -0.22 0.00 0.00 0.00 175.10 175.35 2jrl s LEU 51 N 1.17 1.46 0.95 3.92 0.20 -0.45 0.18 118.68 126.11 2jrl s LEU 51 Ca 0.02 -0.75 -0.12 0.00 0.69 0.00 0.00 54.13 53.97 2jrl s LEU 51 Cb -0.14 -0.76 0.16 0.00 -0.43 0.00 0.00 46.19 45.02 2jrl s LEU 51 CO -0.03 -0.25 1.09 1.51 -0.29 0.00 0.00 176.35 178.39 2jrl s ASP 52 N 1.73 2.99 -0.14 3.68 -4.77 -1.09 -3.47 116.67 115.61 2jrl s ASP 52 Ca -0.01 1.31 -0.26 0.00 -3.30 0.00 0.00 52.55 50.29 2jrl s ASP 52 Cb -0.16 -1.98 -0.23 0.00 -1.09 0.00 0.00 42.92 39.46 2jrl s ASP 52 CO -0.07 -2.92 0.64 0.58 0.70 0.00 0.00 175.17 174.10 2jrl h VAL 53 N -1.74 1.55 -0.18 2.11 2.07 -0.58 -3.31 116.25 116.16 2jrl h VAL 53 Ca -0.52 -2.22 -0.05 0.00 0.82 0.00 0.00 66.70 64.72 2jrl h VAL 53 Cb 1.31 2.99 -0.01 0.00 -1.52 0.00 0.00 31.29 34.06 2jrl h VAL 53 CO 0.56 0.53 0.17 0.86 0.02 0.00 0.00 177.57 179.71 2jrl s TRP 54 N -2.18 1.29 0.06 1.57 -0.11 -1.26 -3.65 118.94 114.66 2jrl s TRP 54 Ca -0.19 2.08 0.09 0.00 1.22 0.00 0.00 56.10 59.30 2jrl s TRP 54 Cb -0.02 -3.41 -0.03 0.00 -1.50 0.00 0.00 33.47 28.51 2jrl s TRP 54 CO 0.62 -0.82 -0.25 -1.64 -4.62 0.00 0.00 176.95 170.24 2jrl s MET 55 N 8.28 1.64 -0.00 5.86 -1.94 -1.26 -4.59 119.30 127.28 2jrl s MET 55 Ca 0.81 -1.12 -0.24 0.00 -1.71 0.00 0.00 55.69 53.43 2jrl s MET 55 Cb -0.05 -1.86 -0.18 0.00 2.01 0.00 0.00 34.83 34.74 2jrl s MET 55 CO 0.16 0.47 1.29 -1.00 -0.01 0.00 0.00 175.02 175.94 2jrl h PRO 56 N 4.63 0.11 -0.01 2.03 0.13 -1.89 -3.31 132.00 133.69 2jrl h PRO 56 Ca -0.46 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2jrl h PRO 56 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2jrl h PRO 56 CO 0.43 0.56 0.01 0.22 -0.23 0.00 0.00 178.00 178.99 2jrl h ASP 57 N -0.34 0.01 -3.43 1.44 1.82 -1.97 -3.47 116.42 110.48 2jrl h ASP 57 Ca 0.01 -0.12 0.29 0.00 -0.39 0.00 0.00 57.03 56.81 2jrl h ASP 57 Cb 0.54 -0.00 -0.25 0.00 0.68 0.00 0.00 39.33 40.30 2jrl h ASP 57 CO 0.01 0.13 0.99 -0.83 -1.61 0.00 0.00 179.24 177.94 2jrl s GLY 58 N -2.45 -0.01 0.99 -0.78 0.00 -1.24 -5.08 107.32 98.75 2jrl s GLY 58 Ca -0.14 2.51 -0.16 0.00 0.00 0.00 0.00 44.72 46.94 2jrl s GLY 58 CO 0.67 0.92 -0.23 1.22 0.00 0.00 0.00 173.10 175.68 2jrl n ASP 59 N 0.30 -3.73 0.00 1.64 8.00 -1.26 -4.46 116.55 117.04 2jrl n ASP 59 Ca 0.03 0.21 -0.18 0.00 0.71 0.00 0.00 54.79 55.56 2jrl n ASP 59 Cb 0.58 -0.97 -0.14 0.00 -0.02 0.00 0.00 41.12 40.57 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 0.24 0.11 0.44 0.00 -1.65 -3.22 103.07 97.64 2jrl h GLY 60 Ca -0.44 -0.61 0.16 0.00 0.00 0.00 0.00 47.33 46.44 2jrl h GLY 60 CO 0.29 0.54 0.41 -0.24 0.00 0.00 0.00 176.54 177.54 2jrl h VAL 61 N 0.06 0.66 0.00 4.60 3.04 -1.89 0.79 116.25 123.50 2jrl h VAL 61 Ca -0.38 -0.19 -0.15 0.00 -1.01 0.00 0.00 66.70 64.97 2jrl h VAL 61 Cb 2.03 0.06 -0.02 0.00 -2.01 0.00 0.00 31.29 31.35 2jrl h VAL 61 CO 0.09 0.10 -0.73 -1.13 -1.01 0.00 0.00 177.57 174.89 2jrl h ASN 62 N 0.55 0.00 -0.60 3.17 -1.24 -1.96 -3.25 115.58 112.25 2jrl h ASN 62 Ca 0.48 0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.57 2jrl h ASN 62 Cb 0.76 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.77 2jrl h ASN 62 CO -0.41 0.73 0.40 0.15 -1.29 0.00 0.00 177.43 177.01 2jrl h PHE 63 N 0.00 0.53 -0.85 0.67 3.57 -0.86 -1.82 116.94 118.19 2jrl h PHE 63 Ca -0.01 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.67 2jrl h PHE 63 Cb 1.52 -0.17 -0.10 0.00 2.79 0.00 0.00 35.95 39.99 2jrl h PHE 63 CO 0.00 0.27 0.42 0.82 -2.23 0.00 0.00 178.31 177.59 2jrl h ILE 64 N 0.52 0.67 -1.11 1.41 2.04 -1.49 -0.52 117.51 119.03 2jrl h ILE 64 Ca 0.27 -0.19 0.42 0.00 1.00 0.00 0.00 64.86 66.36 2jrl h ILE 64 Cb 0.37 0.06 -0.16 0.00 -0.74 0.00 0.00 36.82 36.35 2jrl h ILE 64 CO -0.08 0.10 0.64 -0.78 0.00 0.00 0.00 178.15 178.04 2jrl h ASP 65 N 0.56 0.31 -0.05 1.72 3.58 -1.54 0.80 116.42 121.81 2jrl h ASP 65 Ca 0.48 0.22 -0.13 0.00 0.42 0.00 0.00 57.03 58.02 2jrl h ASP 65 Cb 0.73 0.22 0.01 0.00 1.72 0.00 0.00 39.33 42.01 2jrl h ASP 65 CO -0.40 -0.35 -0.48 0.15 -2.88 0.00 0.00 179.24 175.29 2jrl h PHE 66 N 0.04 0.58 0.03 0.28 3.57 -1.26 -3.10 116.94 117.08 2jrl h PHE 66 Ca 0.84 -0.28 -0.00 0.00 3.53 0.00 0.00 57.97 62.06 2jrl h PHE 66 Cb 2.35 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 41.00 2jrl h PHE 66 CO -0.01 1.06 -0.01 0.82 -2.23 0.00 0.00 178.31 177.94 2jrl h ILE 67 N -0.06 1.02 0.00 1.41 2.04 0.46 -1.36 117.51 121.03 2jrl h ILE 67 Ca -0.04 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2jrl h ILE 67 Cb 1.15 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 2jrl h ILE 67 CO 0.10 0.04 0.00 0.29 0.00 0.00 0.00 178.15 178.58 2jrl n LYS 68 N -5.07 0.04 -0.00 2.37 4.76 0.88 0.12 118.16 121.26 2jrl n LYS 68 Ca -0.07 0.52 -0.21 0.00 -2.87 0.00 0.00 58.31 55.68 2jrl n LYS 68 Cb 0.07 -1.64 -0.14 0.00 -1.84 0.00 0.00 35.03 31.49 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 -1.73 0.75 -0.51 1.97 2.13 -0.58 -3.93 120.64 118.74 2jrl n GLU 69 Ca -0.00 0.26 0.04 0.00 0.66 0.00 0.00 57.16 58.12 2jrl n GLU 69 Cb 0.03 -1.70 0.21 0.00 0.27 0.00 0.00 31.44 30.24 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 -3.46 2.87 0.00 4.31 0.23 -0.59 -4.78 115.26 113.84 2jrl n ASN 70 Ca -0.32 -3.38 0.00 0.00 -0.53 0.00 0.00 54.58 50.34 2jrl n ASN 70 Cb 1.05 -0.55 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 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 -0.97 0.00 -0.11 0.53 2.88 0.33 -4.98 113.62 111.30 2jrl n SER 71 Ca 0.24 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.65 2jrl n SER 71 Cb 0.87 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.31 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 0.88 0.00 -1.46 0.13 -1.68 -2.84 132.00 127.03 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 -4.12 0.00 -4.82 1.44 8.00 -1.26 -4.81 116.55 110.98 2jrl n ASP 73 Ca -0.03 0.13 -0.33 0.00 0.71 0.00 0.00 54.79 55.27 2jrl n ASP 73 Cb 0.52 -0.36 -0.02 0.00 -0.02 0.00 0.00 41.12 41.24 2jrl n ASP 73 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2jrl s SER 74 N -2.71 6.35 -0.10 -2.24 0.15 -1.07 -4.93 113.70 109.14 2jrl s SER 74 Ca 0.19 1.72 0.02 0.00 0.70 0.00 0.00 55.95 58.58 2jrl s SER 74 Cb 0.16 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.96 2jrl s SER 74 CO 0.39 -0.78 -0.15 0.68 1.20 0.00 0.00 173.24 174.58 2jrl s VAL 75 N -2.42 1.49 0.04 4.45 -7.23 -1.16 -5.00 120.40 110.57 2jrl s VAL 75 Ca 0.62 -0.65 0.09 0.00 -1.81 0.00 0.00 61.98 60.23 2jrl s VAL 75 Cb -0.13 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 2jrl s VAL 75 CO 0.29 0.44 -0.24 -0.69 -0.31 0.00 0.00 175.10 174.59 2jrl s VAL 76 N 0.93 2.30 -0.23 1.32 1.01 -1.05 -1.93 120.40 122.75 2jrl s VAL 76 Ca -0.08 -1.34 -0.08 0.00 0.00 0.00 0.00 61.98 60.48 2jrl s VAL 76 Cb -0.15 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 2jrl s VAL 76 CO -0.01 0.36 0.09 -0.63 0.00 0.00 0.00 175.10 174.91 2jrl s ILE 77 N -0.84 4.62 -0.24 2.22 1.09 0.75 -1.62 121.20 127.17 2jrl s ILE 77 Ca 0.12 -0.07 -0.14 0.00 -1.10 0.00 0.00 60.65 59.46 2jrl s ILE 77 Cb -0.10 -3.14 -0.04 0.00 -1.06 0.00 0.00 42.46 38.12 2jrl s ILE 77 CO 0.03 0.36 0.32 -0.69 -0.10 0.00 0.00 174.94 174.87 2jrl s VAL 78 N 1.22 5.23 0.02 2.92 1.01 -1.21 -1.34 120.40 128.25 2jrl s VAL 78 Ca 0.05 0.50 0.05 0.00 0.00 0.00 0.00 61.98 62.59 2jrl s VAL 78 Cb -0.14 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 2jrl s VAL 78 CO 0.04 0.23 -0.15 0.27 0.00 0.00 0.00 175.10 175.49 2jrl s ILE 79 N 1.59 1.22 0.06 2.22 -4.36 -1.23 -3.38 121.20 117.33 2jrl s ILE 79 Ca 0.14 -0.89 -0.14 0.00 -0.26 0.00 0.00 60.65 59.50 2jrl s ILE 79 Cb -0.15 -1.07 0.02 0.00 1.25 0.00 0.00 42.46 42.52 2jrl s ILE 79 CO 0.08 0.16 0.32 0.28 0.24 0.00 0.00 174.94 176.03 2jrl s THR 80 N -0.65 0.08 -0.22 8.37 -1.32 -1.18 0.23 115.64 120.95 2jrl s THR 80 Ca 0.04 -0.69 0.20 0.00 -1.21 0.00 0.00 61.69 60.03 2jrl s THR 80 Cb -0.07 -1.04 -0.29 0.00 -1.51 0.00 0.00 72.50 69.59 2jrl s THR 80 CO 0.01 -0.38 0.53 0.61 -2.21 0.00 0.00 174.62 173.17 2jrl n GLY 81 N 0.33 -0.90 0.17 6.08 0.00 -1.26 -0.87 105.19 108.73 2jrl n GLY 81 Ca -0.18 -0.49 0.01 0.00 0.00 0.00 0.00 46.02 45.36 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 0.02 -2.61 1.61 3.86 -2.00 -3.43 115.15 112.60 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 0.82 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.28 2jrl h HIS 82 CO 0.00 0.46 -0.63 0.41 0.86 0.00 0.00 177.93 179.03 2jrl n GLY 83 N -0.23 -4.25 0.00 2.45 0.00 -1.26 -5.09 105.19 96.81 2jrl n GLY 83 Ca -0.02 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.52 0.00 -0.10 1.61 2.88 -1.26 -5.05 113.62 111.17 2jrl n SER 84 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 2jrl n SER 84 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2jrl n SER 84 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 2jrl h VAL 85 N 0.00 1.26 0.48 2.46 3.04 -1.98 -0.78 116.25 120.73 2jrl h VAL 85 Ca 0.00 -0.99 -0.01 0.00 -1.01 0.00 0.00 66.70 64.68 2jrl h VAL 85 Cb 0.00 1.30 -0.01 0.00 -2.01 0.00 0.00 31.29 30.57 2jrl h VAL 85 CO 0.00 0.32 -0.36 0.44 -1.01 0.00 0.00 177.57 176.96 2jrl h ASP 86 N 0.34 -0.94 0.11 3.17 5.19 -2.00 -1.39 116.42 120.90 2jrl h ASP 86 Ca 0.08 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.54 2jrl h ASP 86 Cb 0.47 0.29 -0.00 0.00 0.18 0.00 0.00 39.33 40.27 2jrl h ASP 86 CO 0.02 -0.54 -0.09 0.74 -3.12 0.00 0.00 179.24 176.25 2jrl h THR 87 N -0.83 0.95 0.06 0.35 2.02 -1.97 -2.73 112.91 110.77 2jrl h THR 87 Ca -0.05 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 2jrl h THR 87 Cb 0.70 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 2jrl h THR 87 CO 0.01 0.09 -0.03 0.00 0.37 0.00 0.00 175.52 175.96 2jrl h ALA 88 N 1.91 -0.08 0.59 6.16 0.00 -0.52 -1.87 119.26 125.44 2jrl h ALA 88 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2jrl h ALA 88 Cb 0.17 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2jrl h ALA 88 CO 0.01 -0.44 -0.50 0.28 0.00 0.00 0.00 179.25 178.61 2jrl h VAL 89 N -0.30 0.00 -0.46 0.00 2.07 -0.97 -1.32 116.25 115.28 2jrl h VAL 89 Ca -0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 2jrl h VAL 89 Cb 0.26 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 2jrl h VAL 89 CO 0.01 0.00 0.44 0.07 0.02 0.00 0.00 177.57 178.11 2jrl h LYS 90 N -1.06 0.00 0.00 1.57 2.10 -1.58 0.87 116.57 118.47 2jrl h LYS 90 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 2jrl h LYS 90 Cb 0.90 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.23 2jrl h LYS 90 CO -0.01 0.00 -0.06 0.00 -2.00 0.00 0.00 179.45 177.38 2jrl n ALA 91 N -2.43 2.37 0.01 0.07 0.00 -0.61 -2.89 120.51 117.03 2jrl n ALA 91 Ca 0.08 -0.06 -0.17 0.00 0.00 0.00 0.00 53.44 53.29 2jrl n ALA 91 Cb 0.63 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.50 2jrl n ALA 91 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2jrl h ILE 92 N 0.00 0.77 0.00 0.00 1.08 0.18 -2.46 117.51 117.08 2jrl h ILE 92 Ca 0.00 -2.52 0.00 0.00 -0.39 0.00 0.00 64.86 61.95 2jrl h ILE 92 Cb 0.68 2.52 0.00 0.00 -3.07 0.00 0.00 36.82 36.95 2jrl h ILE 92 CO 0.00 0.75 0.00 0.11 -0.69 0.00 0.00 178.15 178.32 2jrl h LYS 93 N 0.05 0.00 0.16 2.37 1.57 -1.48 -3.32 116.57 115.92 2jrl h LYS 93 Ca -0.35 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 2jrl h LYS 93 Cb 2.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.34 2jrl h LYS 93 CO 0.10 0.00 -0.08 -0.22 -0.57 0.00 0.00 179.45 178.68 2jrl h LYS 94 N 0.00 -0.21 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 0.79 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.46 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 0.98 0.07 3.57 5.01 0.00 -1.25 -4.90 105.19 108.67 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 0.19 4.61 0.00 -0.93 -2.53 121.76 126.63 2jrl s ALA 96 Ca 0.00 -1.14 -0.06 0.00 0.00 0.00 0.00 51.96 50.76 2jrl s ALA 96 Cb 0.00 -2.64 0.11 0.00 0.00 0.00 0.00 23.12 20.60 2jrl s ALA 96 CO 0.00 -0.78 1.58 -0.92 0.00 0.00 0.00 175.76 175.64 2jrl h TYR 97 N 8.39 0.95 -3.20 0.00 3.20 -1.61 -3.41 116.97 121.29 2jrl h TYR 97 Ca -0.32 -0.24 -0.11 0.00 3.14 0.00 0.00 58.73 61.20 2jrl h TYR 97 Cb 1.17 -0.22 -0.19 0.00 1.54 0.00 0.00 36.73 39.03 2jrl h TYR 97 CO 0.72 1.00 -0.28 -2.00 -1.64 0.00 0.00 178.16 175.96 2jrl s GLU 98 N -4.55 0.72 -0.25 1.82 2.56 -1.26 -5.09 118.70 112.64 2jrl s GLU 98 Ca -0.10 -0.36 -0.02 0.00 0.00 0.00 0.00 54.97 54.49 2jrl s GLU 98 Cb 0.12 0.31 0.03 0.00 2.00 0.00 0.00 34.13 36.60 2jrl s GLU 98 CO 0.85 -0.21 -0.05 0.12 -0.56 0.00 0.00 175.26 175.40 2jrl s PHE 99 N -1.93 3.09 -0.09 5.30 2.19 -1.26 -3.33 117.98 121.94 2jrl s PHE 99 Ca -0.09 -1.58 0.03 0.00 0.33 0.00 0.00 56.93 55.61 2jrl s PHE 99 Cb -0.03 -2.07 0.01 0.00 -1.31 0.00 0.00 43.02 39.62 2jrl s PHE 99 CO 0.00 -0.74 -0.18 -0.51 1.83 0.00 0.00 175.22 175.63 2jrl s LEU 100 N 1.32 1.86 0.00 6.12 1.43 -1.22 -5.06 118.68 123.13 2jrl s LEU 100 Ca -0.00 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 52.56 2jrl s LEU 100 Cb -0.17 -1.13 0.16 0.00 0.03 0.00 0.00 46.19 45.08 2jrl s LEU 100 CO -0.04 0.09 0.41 -0.62 0.23 0.00 0.00 176.35 176.41 2jrl n GLU 101 N 3.73 -2.94 0.23 1.70 1.02 -1.26 -3.12 120.64 120.00 2jrl n GLU 101 Ca -0.21 -0.67 -0.10 0.00 -0.02 0.00 0.00 57.16 56.16 2jrl n GLU 101 Cb 0.52 -0.80 -0.05 0.00 -0.02 0.00 0.00 31.44 31.09 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 -6.47 3.49 1.79 -1.29 -3.42 116.57 110.07 2jrl h LYS 102 Ca -0.17 0.04 -0.54 0.00 -2.18 0.00 0.00 60.65 57.80 2jrl h LYS 102 Cb 0.57 0.14 0.01 0.00 -1.58 0.00 0.00 32.23 31.38 2jrl h LYS 102 CO 0.11 -0.41 0.77 -1.25 -1.08 0.00 0.00 179.45 177.59 2jrl s PRO 103 N -4.53 4.30 0.06 3.15 0.04 -1.26 -5.01 135.00 131.76 2jrl s PRO 103 Ca -0.10 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 62.77 2jrl s PRO 103 Cb 0.02 -3.40 0.05 0.00 0.04 0.00 0.00 34.50 31.20 2jrl s PRO 103 CO 0.31 -0.50 0.48 -0.59 0.04 0.00 0.00 177.00 176.74 2jrl s PHE 104 N 1.70 -0.35 0.06 0.56 -0.12 -1.26 -5.11 117.98 113.45 2jrl s PHE 104 Ca 0.65 0.32 0.03 0.00 -0.05 0.00 0.00 56.93 57.88 2jrl s PHE 104 Cb -0.34 0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.31 2jrl s PHE 104 CO 0.29 -0.64 0.01 -1.12 -0.05 0.00 0.00 175.22 173.71 2jrl s SER 105 N -2.12 5.12 0.55 1.98 0.01 -1.26 -4.96 113.70 113.02 2jrl s SER 105 Ca -0.04 -0.10 0.35 0.00 1.31 0.00 0.00 55.95 57.47 2jrl s SER 105 Cb -0.00 -1.28 1.52 0.00 0.21 0.00 0.00 66.02 66.46 2jrl s SER 105 CO -0.04 0.21 1.82 1.62 0.41 0.00 0.00 173.24 177.26 2jrl h VAL 106 N 3.04 0.42 -0.32 3.43 3.04 -2.02 0.41 116.25 124.25 2jrl h VAL 106 Ca -0.48 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.20 2jrl h VAL 106 Cb 1.17 0.44 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 2jrl h VAL 106 CO 0.60 0.00 0.16 -0.08 -1.01 0.00 0.00 177.57 177.23 2jrl h GLU 107 N 0.00 0.46 0.00 4.17 4.81 -1.99 0.28 114.58 122.31 2jrl h GLU 107 Ca 0.50 -0.06 -0.24 0.00 -0.13 0.00 0.00 59.36 59.43 2jrl h GLU 107 Cb 2.08 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 31.34 2jrl h GLU 107 CO -0.01 0.42 -1.29 -0.09 -0.73 0.00 0.00 179.01 177.31 2jrl h ARG 108 N 0.38 0.00 -0.01 1.92 9.65 -1.10 -3.08 114.38 122.14 2jrl h ARG 108 Ca 0.11 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.99 2jrl h ARG 108 Cb 0.11 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.69 2jrl h ARG 108 CO -0.01 0.77 -0.01 0.35 2.80 0.00 0.00 179.97 183.87 2jrl h PHE 109 N 0.00 0.02 -0.81 2.20 3.04 -0.25 -2.79 116.94 118.35 2jrl h PHE 109 Ca -0.13 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.78 2jrl h PHE 109 Cb 1.86 -0.00 -0.04 0.00 2.56 0.00 0.00 35.95 40.33 2jrl h PHE 109 CO 0.00 0.51 0.34 1.37 -2.02 0.00 0.00 178.31 178.51 2jrl h LEU 110 N -0.48 1.10 -1.82 0.59 8.10 -0.58 -2.22 115.31 120.00 2jrl h LEU 110 Ca 0.00 -0.16 -0.00 0.00 0.11 0.00 0.00 57.88 57.83 2jrl h LEU 110 Cb 0.50 -0.28 -0.01 0.00 -0.44 0.00 0.00 40.66 40.43 2jrl h LEU 110 CO 0.00 0.96 0.09 0.25 -4.11 0.00 0.00 178.44 175.62 2jrl h LEU 111 N 1.17 0.18 -0.04 0.17 6.46 -1.56 -1.83 115.31 119.86 2jrl h LEU 111 Ca 0.27 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 58.02 2jrl h LEU 111 Cb 0.19 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.07 2jrl h LEU 111 CO -0.03 0.15 0.01 0.74 -0.62 0.00 0.00 178.44 178.69 2jrl h THR 112 N 0.21 1.19 0.74 1.05 2.02 -1.11 -2.43 112.91 114.58 2jrl h THR 112 Ca 0.06 -0.56 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 2jrl h THR 112 Cb 0.00 1.50 0.01 0.00 -1.74 0.00 0.00 68.15 67.92 2jrl h THR 112 CO -0.01 0.15 -0.35 0.40 0.37 0.00 0.00 175.52 176.08 2jrl h ILE 113 N -0.16 0.13 -0.94 3.11 1.08 -1.38 0.29 117.51 119.64 2jrl h ILE 113 Ca 0.01 -0.21 0.28 0.00 -0.39 0.00 0.00 64.86 64.55 2jrl h ILE 113 Cb 0.24 0.17 -0.16 0.00 -3.07 0.00 0.00 36.82 34.00 2jrl h ILE 113 CO 0.00 0.01 0.24 0.50 -0.69 0.00 0.00 178.15 178.21 2jrl h LYS 114 N -1.17 0.12 0.00 2.37 3.64 -1.42 0.98 116.57 121.08 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 0.78 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 2jrl h LYS 114 CO 0.17 0.08 -0.80 0.45 -2.27 0.00 0.00 179.45 177.08 2jrl h HIS 115 N 0.12 0.00 -0.64 1.91 3.86 -1.33 -3.16 115.15 115.91 2jrl h HIS 115 Ca 0.62 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.93 2jrl h HIS 115 Cb 1.36 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.75 2jrl h HIS 115 CO -0.28 0.80 0.25 0.00 0.86 0.00 0.00 177.93 179.56 2jrl h ALA 116 N 1.20 0.84 0.21 2.45 0.00 0.48 -0.56 119.26 123.88 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 1.53 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2jrl h ALA 116 CO 0.10 -0.17 -0.10 0.74 0.00 0.00 0.00 179.25 179.82 2jrl h PHE 117 N 0.44 -0.26 -0.95 0.00 -1.00 -1.49 -2.08 116.94 111.59 2jrl h PHE 117 Ca 0.32 -0.01 0.31 0.00 2.81 0.00 0.00 57.97 61.41 2jrl h PHE 117 Cb 0.39 0.09 -0.18 0.00 3.61 0.00 0.00 35.95 39.87 2jrl h PHE 117 CO -0.16 -0.16 0.19 0.39 -1.61 0.00 0.00 178.31 176.96 2jrl n GLU 118 N -3.96 -0.07 0.04 1.51 1.02 -1.19 0.14 120.64 118.12 2jrl n GLU 118 Ca -0.04 1.39 -0.13 0.00 -0.02 0.00 0.00 57.16 58.37 2jrl n GLU 118 Cb 0.11 -2.30 -0.09 0.00 -0.02 0.00 0.00 31.44 29.14 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 -0.13 -0.96 3.49 4.57 -1.18 -3.15 114.58 117.22 2jrl h GLU 119 Ca 0.66 0.01 0.22 0.00 -1.18 0.00 0.00 59.36 59.07 2jrl h GLU 119 Cb 1.52 0.03 -0.12 0.00 -0.16 0.00 0.00 28.75 30.02 2jrl h GLU 119 CO -0.84 0.28 0.54 -0.92 -1.18 0.00 0.00 179.01 176.89 2jrl h TYR 120 N -0.57 0.92 0.00 0.92 3.20 0.44 -3.51 116.97 118.36 2jrl h TYR 120 Ca -0.01 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2jrl h TYR 120 Cb 0.46 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.48 2jrl h TYR 120 CO 0.06 0.09 0.00 0.45 -1.64 0.00 0.00 178.16 177.12