#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 -1.26 -2.53 2.12 3.00 -1.26 -3.54 118.16 114.68 2jrl n LYS 2 Ca 0.00 0.59 -0.41 0.00 -0.00 0.00 0.00 58.31 58.50 2jrl n LYS 2 Cb 0.00 -4.11 -0.03 0.00 0.00 0.00 0.00 35.03 30.89 2jrl n LYS 2 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2jrl s ARG 3 N -5.56 3.20 -0.04 1.64 0.52 -1.26 -1.50 118.95 115.96 2jrl s ARG 3 Ca 0.38 -0.29 0.06 0.00 -0.52 0.00 0.00 55.73 55.37 2jrl s ARG 3 Cb -0.14 -4.28 -0.02 0.00 0.52 0.00 0.00 34.95 31.03 2jrl s ARG 3 CO 0.85 -2.18 -0.22 0.08 0.02 0.00 0.00 175.30 173.86 2jrl s VAL 4 N 5.79 2.42 -0.25 3.52 1.01 -1.09 -3.64 120.40 128.15 2jrl s VAL 4 Ca 0.37 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 2jrl s VAL 4 Cb -0.07 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.43 2jrl s VAL 4 CO 0.13 0.58 -0.03 -0.22 0.00 0.00 0.00 175.10 175.56 2jrl s LEU 5 N -0.57 3.29 -0.41 3.92 2.96 -1.23 -2.40 118.68 124.24 2jrl s LEU 5 Ca 0.08 -0.76 -0.19 0.00 -0.22 0.00 0.00 54.13 53.04 2jrl s LEU 5 Cb -0.11 -1.72 0.02 0.00 0.50 0.00 0.00 46.19 44.88 2jrl s LEU 5 CO 0.00 -0.13 0.53 -0.69 -1.32 0.00 0.00 176.35 174.74 2jrl s VAL 6 N 1.39 4.98 -0.34 1.68 1.01 0.18 0.37 120.40 129.66 2jrl s VAL 6 Ca 0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 2jrl s VAL 6 Cb -0.16 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 2jrl s VAL 6 CO -0.03 -0.43 0.24 -0.69 0.00 0.00 0.00 175.10 174.20 2jrl s VAL 7 N 2.43 5.25 -0.29 2.92 1.01 0.14 -2.49 120.40 129.39 2jrl s VAL 7 Ca 0.17 -0.26 -0.16 0.00 0.00 0.00 0.00 61.98 61.74 2jrl s VAL 7 Cb -0.16 -3.72 0.12 0.00 0.00 0.00 0.00 36.38 32.63 2jrl s VAL 7 CO 0.15 -0.03 0.85 -0.62 0.00 0.00 0.00 175.10 175.46 2jrl s ASP 8 N 1.71 -0.70 0.00 3.32 -1.08 -0.16 -2.55 116.67 117.21 2jrl s ASP 8 Ca 0.06 1.12 0.00 0.00 -0.52 0.00 0.00 52.55 53.21 2jrl s ASP 8 Cb -0.17 1.30 0.00 0.00 -1.46 0.00 0.00 42.92 42.58 2jrl s ASP 8 CO 0.10 -0.18 0.54 -0.90 0.52 0.00 0.00 175.17 175.26 2jrl n ASP 9 N 3.99 0.01 -4.12 -0.34 5.75 -1.26 -4.28 116.55 116.31 2jrl n ASP 9 Ca -0.19 -1.10 -0.37 0.00 -0.01 0.00 0.00 54.79 53.12 2jrl n ASP 9 Cb 0.58 -0.01 -0.08 0.00 -1.03 0.00 0.00 41.12 40.59 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 -1.98 2.93 0.64 0.11 2.56 -1.26 -4.90 118.70 116.80 2jrl s GLU 10 Ca 0.00 -2.83 0.33 0.00 0.00 0.00 0.00 54.97 52.47 2jrl s GLU 10 Cb 0.00 -3.87 1.84 0.00 2.00 0.00 0.00 34.13 34.10 2jrl s GLU 10 CO 0.00 -1.22 2.09 1.49 -0.56 0.00 0.00 175.26 177.06 2jrl h GLU 11 N 6.66 0.00 -0.47 4.30 4.81 -1.99 -0.42 114.58 127.48 2jrl h GLU 11 Ca 0.06 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 2jrl h GLU 11 Cb 0.90 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 2jrl h GLU 11 CO 0.77 0.00 -0.10 1.03 -0.73 0.00 0.00 179.01 179.97 2jrl h SER 12 N 0.00 0.90 0.12 1.04 0.87 -1.94 -1.86 113.55 112.67 2jrl h SER 12 Ca 0.04 -0.36 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 2jrl h SER 12 Cb 0.47 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2jrl h SER 12 CO -0.00 1.05 -0.06 0.40 -0.53 0.00 0.00 176.83 177.69 2jrl h ILE 13 N 0.74 0.48 -1.03 2.23 1.08 -1.50 -3.26 117.51 116.25 2jrl h ILE 13 Ca 0.12 -1.16 0.26 0.00 -0.39 0.00 0.00 64.86 63.69 2jrl h ILE 13 Cb 0.65 0.86 -0.09 0.00 -3.07 0.00 0.00 36.82 35.17 2jrl h ILE 13 CO 0.04 0.15 0.67 0.71 -0.69 0.00 0.00 178.15 179.03 2jrl h THR 14 N -1.00 0.54 -0.79 -0.27 1.35 -1.53 0.21 112.91 111.42 2jrl h THR 14 Ca -0.02 -0.13 0.01 0.00 -0.55 0.00 0.00 66.41 65.73 2jrl h THR 14 Cb 0.36 0.14 -0.04 0.00 -1.73 0.00 0.00 68.15 66.88 2jrl h THR 14 CO 0.03 0.07 0.52 -1.28 -0.25 0.00 0.00 175.52 174.61 2jrl h SER 15 N 0.37 0.91 0.15 5.36 0.87 -1.42 0.14 113.55 119.92 2jrl h SER 15 Ca 0.57 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 61.10 2jrl h SER 15 Cb 1.50 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2jrl h SER 15 CO -0.26 0.65 -0.07 -1.28 -0.53 0.00 0.00 176.83 175.35 2jrl h SER 16 N 1.07 -0.17 -0.11 6.23 0.87 -0.69 -3.01 113.55 117.74 2jrl h SER 16 Ca 0.29 -0.37 0.03 0.00 -1.23 0.00 0.00 61.79 60.52 2jrl h SER 16 Cb -0.12 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2jrl h SER 16 CO -0.07 0.41 0.17 -0.07 -0.53 0.00 0.00 176.83 176.75 2jrl h LEU 17 N -0.89 0.00 -0.35 2.23 4.07 -1.16 0.11 115.31 119.33 2jrl h LEU 17 Ca -0.02 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.78 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 0.03 0.00 -0.78 0.28 -1.08 0.00 0.00 178.44 176.89 2jrl h SER 18 N 0.00 0.00 -0.24 -0.43 0.02 -0.72 -2.54 113.55 109.64 2jrl h SER 18 Ca 0.05 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 2jrl h SER 18 Cb 0.40 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2jrl h SER 18 CO -0.00 0.78 -0.13 0.00 -1.14 0.00 0.00 176.83 176.34 2jrl h ALA 19 N 1.22 0.34 -0.12 3.77 0.00 -0.63 -1.98 119.26 121.85 2jrl h ALA 19 Ca -0.01 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 2jrl h ALA 19 Cb 1.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2jrl h ALA 19 CO 0.10 0.21 -0.55 0.82 0.00 0.00 0.00 179.25 179.84 2jrl h ILE 20 N 0.23 1.35 0.10 0.00 1.08 -1.58 -2.32 117.51 116.37 2jrl h ILE 20 Ca 0.05 -1.83 -0.01 0.00 -0.39 0.00 0.00 64.86 62.69 2jrl h ILE 20 Cb 0.64 1.85 0.00 0.00 -3.07 0.00 0.00 36.82 36.25 2jrl h ILE 20 CO 0.04 0.55 -0.05 0.25 -0.69 0.00 0.00 178.15 178.25 2jrl h LEU 21 N 0.28 -0.12 -1.92 1.44 6.46 -1.41 -2.69 115.31 117.36 2jrl h LEU 21 Ca 0.00 -0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.55 2jrl h LEU 21 Cb 1.05 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 41.01 2jrl h LEU 21 CO 0.09 0.15 -0.03 -0.08 -0.62 0.00 0.00 178.44 177.94 2jrl h GLU 22 N -0.39 0.00 -0.41 1.25 4.22 -1.39 0.19 114.58 118.06 2jrl h GLU 22 Ca -0.01 0.00 -0.14 0.00 0.08 0.00 0.00 59.36 59.28 2jrl h GLU 22 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2jrl h GLU 22 CO 0.02 0.03 -0.30 1.49 -2.18 0.00 0.00 179.01 178.07 2jrl h GLU 23 N 0.00 0.93 -0.07 1.92 4.81 -1.10 -2.66 114.58 118.41 2jrl h GLU 23 Ca -0.00 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2jrl h GLU 23 Cb 0.36 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2jrl h GLU 23 CO 0.00 1.11 0.00 0.39 -0.73 0.00 0.00 179.01 179.78 2jrl n GLU 24 N -4.11 1.25 -0.07 1.92 -0.58 -1.02 -4.85 120.64 113.19 2jrl n GLU 24 Ca -0.02 -0.38 0.00 0.00 -0.42 0.00 0.00 57.16 56.34 2jrl n GLU 24 Cb 0.50 -1.26 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 0.84 0.83 3.67 0.62 0.00 -1.00 -5.06 105.19 105.09 2jrl n GLY 25 Ca 0.12 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 -2.36 2.08 -0.61 1.61 2.02 0.02 -4.77 117.35 115.34 2jrl s TYR 26 Ca 0.00 1.14 0.03 0.00 -0.37 0.00 0.00 57.07 57.87 2jrl s TYR 26 Cb 0.00 -3.21 0.15 0.00 -0.40 0.00 0.00 41.96 38.50 2jrl s TYR 26 CO 0.00 -2.82 0.39 -1.01 -1.57 0.00 0.00 175.55 170.54 2jrl s HIS 27 N -2.89 3.37 0.44 2.71 3.76 -0.56 -3.57 115.29 118.56 2jrl s HIS 27 Ca 0.65 -3.14 -0.24 0.00 -0.15 0.00 0.00 55.06 52.18 2jrl s HIS 27 Cb -0.19 -2.88 -0.08 0.00 1.11 0.00 0.00 32.58 30.54 2jrl s HIS 27 CO 0.58 -0.70 1.17 -1.25 -0.85 0.00 0.00 174.74 173.69 2jrl s PRO 28 N -0.66 3.83 0.15 8.40 0.04 -1.25 -2.68 135.00 142.83 2jrl s PRO 28 Ca 0.20 1.80 0.04 0.00 0.04 0.00 0.00 61.00 63.08 2jrl s PRO 28 Cb -0.18 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 2jrl s PRO 28 CO -0.06 -0.50 -0.09 0.34 0.04 0.00 0.00 177.00 176.74 2jrl s ASP 29 N -1.29 1.71 0.03 6.66 2.15 -1.01 -4.93 116.67 120.00 2jrl s ASP 29 Ca 0.62 -1.03 0.06 0.00 0.43 0.00 0.00 52.55 52.63 2jrl s ASP 29 Cb -0.29 0.01 -0.02 0.00 -0.30 0.00 0.00 42.92 42.31 2jrl s ASP 29 CO 0.36 -0.36 -0.17 0.42 -0.17 0.00 0.00 175.17 175.24 2jrl s THR 30 N -3.37 1.39 -0.20 1.71 -4.23 -1.23 -0.65 115.64 109.06 2jrl s THR 30 Ca 0.17 -1.01 -0.07 0.00 -1.18 0.00 0.00 61.69 59.60 2jrl s THR 30 Cb 0.03 -1.21 0.09 0.00 1.34 0.00 0.00 72.50 72.75 2jrl s THR 30 CO 0.01 0.18 0.42 0.00 -0.54 0.00 0.00 174.62 174.69 2jrl s ALA 31 N -0.71 -1.16 -0.89 3.99 0.00 -1.04 -4.94 121.76 117.01 2jrl s ALA 31 Ca 0.05 1.52 0.25 0.00 0.00 0.00 0.00 51.96 53.78 2jrl s ALA 31 Cb -0.08 -1.29 0.43 0.00 0.00 0.00 0.00 23.12 22.19 2jrl s ALA 31 CO 0.01 -0.70 1.36 0.36 0.00 0.00 0.00 175.76 176.79 2jrl n LYS 32 N 5.26 0.09 -3.86 0.00 0.00 -1.26 -0.99 118.16 117.39 2jrl n LYS 32 Ca -0.10 0.02 -0.12 0.00 -0.00 0.00 0.00 58.31 58.10 2jrl n LYS 32 Cb 0.50 -1.55 -0.14 0.00 -0.00 0.00 0.00 35.03 33.84 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 -3.05 -0.00 0.01 0.58 -4.23 -1.26 -4.61 115.64 103.08 2jrl s THR 33 Ca 0.09 0.01 -0.25 0.00 -1.18 0.00 0.00 61.69 60.37 2jrl s THR 33 Cb 0.16 -0.03 -0.18 0.00 1.34 0.00 0.00 72.50 73.80 2jrl s THR 33 CO 0.71 0.01 1.34 -0.07 -0.54 0.00 0.00 174.62 176.07 2jrl h LEU 34 N 6.20 -0.16 -1.10 4.79 3.38 -1.94 -2.94 115.31 123.53 2jrl h LEU 34 Ca -0.25 -0.25 0.40 0.00 0.09 0.00 0.00 57.88 57.86 2jrl h LEU 34 Cb 1.20 0.04 -0.16 0.00 0.09 0.00 0.00 40.66 41.84 2jrl h LEU 34 CO 0.50 0.18 0.63 0.08 0.09 0.00 0.00 178.44 179.92 2jrl h ARG 35 N -0.52 0.10 -0.26 1.13 -0.00 -1.99 1.34 114.38 114.18 2jrl h ARG 35 Ca -0.02 -0.01 -0.17 0.00 -0.00 0.00 0.00 59.98 59.78 2jrl h ARG 35 Cb 0.41 -0.02 -0.00 0.00 -0.00 0.00 0.00 29.97 30.35 2jrl h ARG 35 CO 0.03 0.06 -0.54 1.49 -0.00 0.00 0.00 179.97 181.02 2jrl h GLU 36 N 0.10 0.76 0.00 0.08 4.57 -1.97 -2.72 114.58 115.40 2jrl h GLU 36 Ca 0.82 -0.47 -0.02 0.00 -1.18 0.00 0.00 59.36 58.50 2jrl h GLU 36 Cb 2.21 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 30.85 2jrl h GLU 36 CO -0.64 1.10 -0.09 0.00 -1.18 0.00 0.00 179.01 178.20 2jrl h ALA 37 N 0.80 0.97 0.02 2.92 0.00 0.17 -3.03 119.26 121.11 2jrl h ALA 37 Ca 0.02 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.58 2jrl h ALA 37 Cb 1.12 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.92 2jrl h ALA 37 CO 0.11 0.12 -1.02 0.93 0.00 0.00 0.00 179.25 179.39 2jrl h GLU 38 N 0.00 0.66 -0.15 0.00 5.08 -0.12 -1.49 114.58 118.56 2jrl h GLU 38 Ca -0.00 -0.73 -0.02 0.00 -1.00 0.00 0.00 59.36 57.61 2jrl h GLU 38 Cb 0.82 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2jrl h GLU 38 CO 0.01 1.31 0.02 -0.22 -1.00 0.00 0.00 179.01 179.13 2jrl h LYS 39 N 0.31 0.24 -0.04 2.33 1.63 -1.47 -1.95 116.57 117.62 2jrl h LYS 39 Ca -0.13 -0.07 -0.11 0.00 -0.85 0.00 0.00 60.65 59.49 2jrl h LYS 39 Cb 1.69 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 33.28 2jrl h LYS 39 CO 0.20 0.43 -0.48 1.57 -3.45 0.00 0.00 179.45 177.73 2jrl h LYS 40 N 0.02 0.10 -0.62 1.90 2.10 -1.63 -2.22 116.57 116.20 2jrl h LYS 40 Ca 0.04 -0.05 -0.09 0.00 -2.00 0.00 0.00 60.65 58.55 2jrl h LYS 40 Cb 0.31 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.62 2jrl h LYS 40 CO 0.00 0.55 0.02 0.82 -2.00 0.00 0.00 179.45 178.85 2jrl h ILE 41 N 0.08 1.27 -0.00 0.07 2.04 -1.10 -1.57 117.51 118.29 2jrl h ILE 41 Ca 0.00 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.73 2jrl h ILE 41 Cb 0.87 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2jrl h ILE 41 CO 0.07 0.42 -0.11 0.29 0.00 0.00 0.00 178.15 178.81 2jrl n LYS 42 N -4.18 0.72 -0.07 2.37 5.02 -0.75 -3.27 118.16 118.00 2jrl n LYS 42 Ca 0.03 -0.25 0.07 0.00 -2.02 0.00 0.00 58.31 56.14 2jrl n LYS 42 Cb 0.34 -1.49 0.10 0.00 -0.02 0.00 0.00 35.03 33.95 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 -0.92 1.52 -3.81 1.97 0.28 -0.85 -5.01 120.64 113.82 2jrl n GLU 43 Ca 0.15 -1.60 -0.09 0.00 -0.16 0.00 0.00 57.16 55.45 2jrl n GLU 43 Cb 0.28 -1.30 -0.04 0.00 1.43 0.00 0.00 31.44 31.81 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 -1.14 0.20 -0.24 -1.84 2.34 -0.64 -5.03 118.68 112.33 2jrl s LEU 44 Ca 0.21 -0.60 -0.08 0.00 0.06 0.00 0.00 54.13 53.72 2jrl s LEU 44 Cb 0.13 2.01 -0.03 0.00 -0.56 0.00 0.00 46.19 47.74 2jrl s LEU 44 CO 0.19 -1.06 0.08 0.12 -1.06 0.00 0.00 176.35 174.62 2jrl s PHE 45 N -3.91 3.12 -0.07 3.48 2.19 -1.26 -4.74 117.98 116.79 2jrl s PHE 45 Ca 0.12 -0.28 0.03 0.00 0.33 0.00 0.00 56.93 57.13 2jrl s PHE 45 Cb -0.01 -2.23 0.01 0.00 -1.31 0.00 0.00 43.02 39.48 2jrl s PHE 45 CO -0.00 -0.26 -0.16 -0.06 1.83 0.00 0.00 175.22 176.57 2jrl s PHE 46 N 1.46 1.77 -0.02 10.12 0.40 -1.26 -5.05 117.98 125.39 2jrl s PHE 46 Ca 0.06 -0.65 -0.23 0.00 -0.60 0.00 0.00 56.93 55.51 2jrl s PHE 46 Cb -0.15 -1.24 -0.16 0.00 0.51 0.00 0.00 43.02 41.99 2jrl s PHE 46 CO 0.04 -0.29 1.05 -1.00 0.70 0.00 0.00 175.22 175.72 2jrl h PRO 47 N 6.77 -0.32 -4.58 0.24 0.13 -1.95 -3.46 132.00 128.84 2jrl h PRO 47 Ca -0.28 0.02 -0.34 0.00 -0.87 0.00 0.00 66.00 64.53 2jrl h PRO 47 Cb 1.20 0.07 -0.26 0.00 0.13 0.00 0.00 31.00 32.14 2jrl h PRO 47 CO 0.47 0.05 -0.76 0.14 -0.23 0.00 0.00 178.00 177.67 2jrl s VAL 48 N -4.04 0.59 0.03 1.56 -7.23 -1.24 -2.84 120.40 107.22 2jrl s VAL 48 Ca -0.13 -0.56 0.02 0.00 -1.81 0.00 0.00 61.98 59.50 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 0.50 -0.01 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.58 2jrl s ILE 49 N -0.55 0.57 -0.17 -0.62 1.01 -0.56 -3.49 121.20 117.39 2jrl s ILE 49 Ca -0.01 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 59.83 2jrl s ILE 49 Cb -0.05 -0.58 -0.01 0.00 0.01 0.00 0.00 42.46 41.83 2jrl s ILE 49 CO 0.00 -0.17 -0.10 -0.69 0.00 0.00 0.00 174.94 173.98 2jrl s VAL 50 N -0.91 3.09 -0.13 2.92 1.01 0.16 -0.72 120.40 125.82 2jrl s VAL 50 Ca -0.05 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 2jrl s VAL 50 Cb -0.07 -2.35 0.05 0.00 0.00 0.00 0.00 36.38 34.01 2jrl s VAL 50 CO 0.00 0.49 0.04 -0.22 0.00 0.00 0.00 175.10 175.41 2jrl s LEU 51 N 0.90 0.68 0.94 3.92 2.96 -0.55 0.27 118.68 127.80 2jrl s LEU 51 Ca -0.02 -0.44 -0.12 0.00 -0.22 0.00 0.00 54.13 53.32 2jrl s LEU 51 Cb -0.15 -0.41 0.15 0.00 0.50 0.00 0.00 46.19 46.29 2jrl s LEU 51 CO -0.00 -0.28 1.10 1.51 -1.32 0.00 0.00 176.35 177.36 2jrl s ASP 52 N 2.00 3.14 -0.11 3.68 -4.77 -1.06 -3.47 116.67 116.08 2jrl s ASP 52 Ca 0.02 1.23 -0.27 0.00 -3.30 0.00 0.00 52.55 50.24 2jrl s ASP 52 Cb -0.15 -1.89 -0.27 0.00 -1.09 0.00 0.00 42.92 39.52 2jrl s ASP 52 CO -0.07 -2.81 0.79 0.58 0.70 0.00 0.00 175.17 174.36 2jrl h VAL 53 N -1.67 1.69 -0.15 2.11 2.07 -0.52 -3.31 116.25 116.47 2jrl h VAL 53 Ca -0.52 -2.40 -0.05 0.00 0.82 0.00 0.00 66.70 64.55 2jrl h VAL 53 Cb 1.31 3.31 -0.01 0.00 -1.52 0.00 0.00 31.29 34.39 2jrl h VAL 53 CO 0.58 0.64 0.16 0.86 0.02 0.00 0.00 177.57 179.83 2jrl s TRP 54 N -2.29 1.29 0.03 1.57 -0.11 -1.26 -3.60 118.94 114.57 2jrl s TRP 54 Ca -0.18 2.15 0.08 0.00 1.22 0.00 0.00 56.10 59.37 2jrl s TRP 54 Cb -0.02 -3.38 -0.03 0.00 -1.50 0.00 0.00 33.47 28.54 2jrl s TRP 54 CO 0.73 -0.71 -0.24 1.41 -4.62 0.00 0.00 176.95 173.52 2jrl s MET 55 N 8.27 1.95 -0.01 5.86 1.75 -1.26 -4.56 119.30 131.30 2jrl s MET 55 Ca 0.80 -1.03 -0.25 0.00 -1.25 0.00 0.00 55.69 53.96 2jrl s MET 55 Cb -0.05 -2.05 -0.19 0.00 2.84 0.00 0.00 34.83 35.38 2jrl s MET 55 CO 0.18 0.53 1.28 -1.00 -0.65 0.00 0.00 175.02 175.36 2jrl h PRO 56 N 4.90 0.05 -0.21 4.11 0.13 -1.89 -3.30 132.00 135.79 2jrl h PRO 56 Ca -0.46 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 2jrl h PRO 56 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2jrl h PRO 56 CO 0.45 0.53 0.07 0.22 -0.23 0.00 0.00 178.00 179.04 2jrl h ASP 57 N -0.41 0.30 0.00 1.44 3.58 -1.97 -3.47 116.42 115.88 2jrl h ASP 57 Ca 0.00 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.26 2jrl h ASP 57 Cb 0.51 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.49 2jrl h ASP 57 CO 0.01 0.42 0.00 0.61 -2.88 0.00 0.00 179.24 177.39 2jrl n GLY 58 N -0.62 0.88 3.20 -0.78 0.00 -1.24 -5.07 105.19 101.55 2jrl n GLY 58 Ca -0.04 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 2jrl n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jrl n ASP 59 N 0.00 -3.93 -0.00 1.61 8.00 -1.26 -4.44 116.55 116.53 2jrl n ASP 59 Ca 0.00 0.22 -0.21 0.00 0.71 0.00 0.00 54.79 55.50 2jrl n ASP 59 Cb 0.00 -0.95 -0.14 0.00 -0.02 0.00 0.00 41.12 40.01 2jrl n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jrl n GLY 60 N 2.54 -0.55 0.29 0.44 0.00 -1.24 -3.47 105.19 103.20 2jrl n GLY 60 Ca 0.02 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.85 2jrl n GLY 60 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2jrl h VAL 61 N 0.04 0.53 0.00 1.61 3.04 -1.88 0.24 116.25 119.83 2jrl h VAL 61 Ca -0.43 -0.12 -0.12 0.00 -1.01 0.00 0.00 66.70 65.02 2jrl h VAL 61 Cb 2.01 0.15 -0.02 0.00 -2.01 0.00 0.00 31.29 31.43 2jrl h VAL 61 CO 0.07 0.06 -0.56 -1.13 -1.01 0.00 0.00 177.57 175.00 2jrl h ASN 62 N 0.35 0.00 -0.41 3.17 -1.24 -1.96 -3.17 115.58 112.31 2jrl h ASN 62 Ca 0.46 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.52 2jrl h ASN 62 Cb 0.79 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.82 2jrl h ASN 62 CO -0.49 0.56 0.28 0.15 -1.29 0.00 0.00 177.43 176.64 2jrl h PHE 63 N 0.00 0.33 -0.80 0.67 3.57 -0.57 -2.15 116.94 117.99 2jrl h PHE 63 Ca -0.01 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.68 2jrl h PHE 63 Cb 1.25 -0.11 -0.11 0.00 2.79 0.00 0.00 35.95 39.78 2jrl h PHE 63 CO 0.00 0.18 0.29 0.82 -2.23 0.00 0.00 178.31 177.37 2jrl h ILE 64 N 0.33 0.55 -0.92 1.41 2.04 -1.44 -0.82 117.51 118.65 2jrl h ILE 64 Ca 0.18 -0.13 0.27 0.00 1.00 0.00 0.00 64.86 66.18 2jrl h ILE 64 Cb 0.28 0.14 -0.17 0.00 -0.74 0.00 0.00 36.82 36.33 2jrl h ILE 64 CO -0.04 0.07 0.09 -0.67 0.00 0.00 0.00 178.15 177.60 2jrl n ASP 65 N -5.07 -0.04 -0.07 1.72 2.03 -0.81 0.92 116.55 115.24 2jrl n ASP 65 Ca 0.17 1.56 -0.12 0.00 0.52 0.00 0.00 54.79 56.92 2jrl n ASP 65 Cb 0.51 -0.60 -0.06 0.00 -0.72 0.00 0.00 41.12 40.26 2jrl n ASP 65 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2jrl h PHE 66 N 0.00 0.48 0.27 -0.67 3.57 -1.34 -2.74 116.94 116.51 2jrl h PHE 66 Ca 0.59 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.97 2jrl h PHE 66 Cb 1.29 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 2jrl h PHE 66 CO -0.40 0.70 -0.16 0.82 -2.23 0.00 0.00 178.31 177.04 2jrl h ILE 67 N 0.12 0.67 0.00 1.41 2.04 0.60 -0.85 117.51 121.50 2jrl h ILE 67 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2jrl h ILE 67 Cb 0.57 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2jrl h ILE 67 CO 0.03 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.47 2jrl n LYS 68 N -5.28 0.06 -0.01 2.37 4.76 0.98 0.11 118.16 121.15 2jrl n LYS 68 Ca -0.09 0.54 -0.21 0.00 -2.87 0.00 0.00 58.31 55.67 2jrl n LYS 68 Cb 0.19 -1.68 -0.14 0.00 -1.84 0.00 0.00 35.03 31.56 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 -1.81 0.75 -0.59 1.97 2.13 -0.45 -3.82 120.64 118.82 2jrl n GLU 69 Ca -0.00 0.27 0.03 0.00 0.66 0.00 0.00 57.16 58.11 2jrl n GLU 69 Cb 0.03 -1.70 0.22 0.00 0.27 0.00 0.00 31.44 30.26 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 -3.51 3.10 0.00 4.31 0.23 -0.46 -4.78 115.26 114.16 2jrl n ASN 70 Ca -0.33 -3.38 0.00 0.00 -0.53 0.00 0.00 54.58 50.34 2jrl n ASN 70 Cb 1.03 -0.58 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 2jrl n ASN 70 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2jrl n SER 71 N -0.88 0.00 -0.10 0.53 7.64 0.30 -4.99 113.62 116.12 2jrl n SER 71 Ca 0.27 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.02 2jrl n SER 71 Cb 0.94 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 64.11 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 0.73 0.00 1.43 0.13 -1.66 -2.85 132.00 129.78 2jrl h PRO 72 Ca 0.00 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2jrl h PRO 72 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2jrl h PRO 72 CO 0.00 1.01 0.00 -0.40 -0.23 0.00 0.00 178.00 178.38 2jrl n ASP 73 N -4.24 0.00 -4.80 1.44 5.68 -1.26 -4.76 116.55 108.61 2jrl n ASP 73 Ca -0.04 0.50 -0.33 0.00 -0.50 0.00 0.00 54.79 54.42 2jrl n ASP 73 Cb 0.48 -0.50 -0.01 0.00 -1.14 0.00 0.00 41.12 39.95 2jrl n ASP 73 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2jrl s SER 74 N -3.00 6.05 -0.12 -1.12 0.15 -1.07 -4.95 113.70 109.63 2jrl s SER 74 Ca 0.07 1.85 0.01 0.00 0.70 0.00 0.00 55.95 58.58 2jrl s SER 74 Cb 0.09 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.88 2jrl s SER 74 CO 0.26 -0.98 -0.16 -0.69 1.20 0.00 0.00 173.24 172.87 2jrl s VAL 75 N -2.27 1.60 0.07 4.45 1.01 -1.13 -4.99 120.40 119.13 2jrl s VAL 75 Ca 0.65 -0.69 0.10 0.00 0.00 0.00 0.00 61.98 62.03 2jrl s VAL 75 Cb -0.16 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 2jrl s VAL 75 CO 0.30 0.46 -0.26 -0.69 0.00 0.00 0.00 175.10 174.91 2jrl s VAL 76 N 1.08 2.23 -0.18 2.92 1.01 -1.12 -1.50 120.40 124.85 2jrl s VAL 76 Ca -0.04 -1.46 -0.05 0.00 0.00 0.00 0.00 61.98 60.43 2jrl s VAL 76 Cb -0.14 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 2jrl s VAL 76 CO -0.04 0.29 -0.01 -0.63 0.00 0.00 0.00 175.10 174.71 2jrl s ILE 77 N -0.88 3.99 -0.24 2.22 1.09 0.10 -1.49 121.20 125.99 2jrl s ILE 77 Ca 0.13 -0.31 -0.12 0.00 -1.10 0.00 0.00 60.65 59.25 2jrl s ILE 77 Cb -0.10 -2.78 -0.05 0.00 -1.06 0.00 0.00 42.46 38.48 2jrl s ILE 77 CO 0.03 0.46 0.21 -0.69 -0.10 0.00 0.00 174.94 174.86 2jrl s VAL 78 N 0.61 5.32 0.01 2.92 1.01 -1.20 -1.49 120.40 127.58 2jrl s VAL 78 Ca -0.01 0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.30 2jrl s VAL 78 Cb -0.14 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 2jrl s VAL 78 CO 0.02 0.31 -0.12 0.27 0.00 0.00 0.00 175.10 175.58 2jrl s ILE 79 N 1.21 0.96 0.13 2.22 -4.36 -1.23 -3.30 121.20 116.83 2jrl s ILE 79 Ca 0.10 -0.69 -0.12 0.00 -0.26 0.00 0.00 60.65 59.68 2jrl s ILE 79 Cb -0.14 -0.83 0.01 0.00 1.25 0.00 0.00 42.46 42.75 2jrl s ILE 79 CO 0.06 0.14 0.32 0.28 0.24 0.00 0.00 174.94 175.98 2jrl s THR 80 N -0.51 0.09 -0.36 8.37 -1.32 -1.16 0.29 115.64 121.03 2jrl s THR 80 Ca 0.03 -0.95 0.16 0.00 -1.21 0.00 0.00 61.69 59.72 2jrl s THR 80 Cb -0.06 -1.39 -0.21 0.00 -1.51 0.00 0.00 72.50 69.33 2jrl s THR 80 CO 0.00 -0.40 0.49 0.61 -2.21 0.00 0.00 174.62 173.11 2jrl n GLY 81 N -0.18 -0.59 0.17 6.08 0.00 -1.26 -0.01 105.19 109.39 2jrl n GLY 81 Ca -0.13 -0.40 0.02 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.89 1.61 3.86 -2.00 -3.44 115.15 112.30 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 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 2jrl h HIS 82 CO 0.00 0.48 -0.70 0.41 0.86 0.00 0.00 177.93 178.98 2jrl n GLY 83 N 0.02 -4.32 0.00 2.45 0.00 -1.26 -5.09 105.19 96.99 2jrl n GLY 83 Ca -0.01 -0.77 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 -1.14 0.00 0.00 0.00 173.32 172.18 2jrl n SER 84 N -0.74 0.00 -0.15 1.61 3.41 -1.26 -5.04 113.62 111.45 2jrl n SER 84 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 2jrl n SER 84 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2jrl n SER 84 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 2jrl h VAL 85 N 0.00 1.24 0.56 -3.33 3.04 -1.98 -0.28 116.25 115.50 2jrl h VAL 85 Ca 0.00 -0.85 -0.02 0.00 -1.01 0.00 0.00 66.70 64.82 2jrl h VAL 85 Cb 0.00 0.97 -0.01 0.00 -2.01 0.00 0.00 31.29 30.24 2jrl h VAL 85 CO 0.00 0.30 -0.39 0.44 -1.01 0.00 0.00 177.57 176.91 2jrl h ASP 86 N 0.57 -1.01 0.03 3.17 3.32 -2.00 -1.29 116.42 119.21 2jrl h ASP 86 Ca 0.13 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 2jrl h ASP 86 Cb 0.35 0.31 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 2jrl h ASP 86 CO 0.01 -0.59 -0.06 0.74 -1.72 0.00 0.00 179.24 177.62 2jrl h THR 87 N -0.91 1.08 0.15 0.35 2.02 -1.96 -2.79 112.91 110.85 2jrl h THR 87 Ca -0.06 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 2jrl h THR 87 Cb 0.76 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 2jrl h THR 87 CO 0.03 0.11 -0.07 0.00 0.37 0.00 0.00 175.52 175.96 2jrl h ALA 88 N 1.86 -0.20 0.34 6.16 0.00 -0.54 -1.44 119.26 125.44 2jrl h ALA 88 Ca 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2jrl h ALA 88 Cb 0.16 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2jrl h ALA 88 CO 0.01 -0.54 -0.41 0.28 0.00 0.00 0.00 179.25 178.59 2jrl h VAL 89 N -0.33 0.00 -0.30 0.00 2.07 -0.98 -0.67 116.25 116.04 2jrl h VAL 89 Ca -0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.59 2jrl h VAL 89 Cb 0.26 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 2jrl h VAL 89 CO 0.03 0.00 0.38 0.07 0.02 0.00 0.00 177.57 178.07 2jrl h LYS 90 N -0.76 0.00 0.00 1.57 5.09 -1.57 0.80 116.57 121.69 2jrl h LYS 90 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.70 2jrl h LYS 90 Cb 0.68 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.01 2jrl h LYS 90 CO -0.09 0.00 -0.14 0.00 -2.09 0.00 0.00 179.45 177.13 2jrl n ALA 91 N -2.26 2.43 -0.00 0.07 0.00 -0.43 -2.89 120.51 117.43 2jrl n ALA 91 Ca 0.05 -0.08 -0.17 0.00 0.00 0.00 0.00 53.44 53.24 2jrl n ALA 91 Cb 0.52 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.43 2jrl n ALA 91 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2jrl n ILE 92 N -2.22 1.73 0.37 0.00 2.08 0.27 -2.28 119.36 119.32 2jrl n ILE 92 Ca 0.05 -0.71 0.13 0.00 0.56 0.00 0.00 62.75 62.79 2jrl n ILE 92 Cb 0.43 -1.50 0.36 0.00 -0.75 0.00 0.00 39.64 38.18 2jrl n ILE 92 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2jrl h LYS 93 N 0.05 0.00 0.17 0.38 1.57 -1.49 -3.30 116.57 113.96 2jrl h LYS 93 Ca -0.37 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 2jrl h LYS 93 Cb 2.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.34 2jrl h LYS 93 CO 0.09 0.00 -0.08 -0.22 -0.57 0.00 0.00 179.45 178.67 2jrl h LYS 94 N 0.00 -0.22 0.00 3.15 1.63 -1.66 -3.47 116.57 116.00 2jrl h LYS 94 Ca 0.00 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 2jrl h LYS 94 Cb 0.77 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.44 2jrl h LYS 94 CO 0.00 -0.15 -0.02 0.41 -3.45 0.00 0.00 179.45 176.24 2jrl n GLY 95 N 0.90 0.16 3.56 5.01 0.00 -1.25 -4.88 105.19 108.69 2jrl n GLY 95 Ca -0.03 0.00 -0.40 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 0.29 4.61 0.00 -0.96 -2.80 121.76 126.42 2jrl s ALA 96 Ca 0.00 -1.20 0.08 0.00 0.00 0.00 0.00 51.96 50.84 2jrl s ALA 96 Cb 0.00 -2.64 0.44 0.00 0.00 0.00 0.00 23.12 20.93 2jrl s ALA 96 CO 0.00 -0.82 1.68 -0.92 0.00 0.00 0.00 175.76 175.70 2jrl h TYR 97 N 8.42 0.17 -2.39 0.00 3.20 -1.56 -3.41 116.97 121.40 2jrl h TYR 97 Ca -0.32 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.41 2jrl h TYR 97 Cb 1.17 -0.03 -0.20 0.00 1.54 0.00 0.00 36.73 39.21 2jrl h TYR 97 CO 0.71 0.60 0.01 -2.00 -1.64 0.00 0.00 178.16 175.84 2jrl s GLU 98 N -3.96 0.89 -0.27 1.82 2.56 -1.26 -5.09 118.70 113.39 2jrl s GLU 98 Ca -0.03 0.15 -0.04 0.00 0.00 0.00 0.00 54.97 55.05 2jrl s GLU 98 Cb 0.13 0.42 0.02 0.00 2.00 0.00 0.00 34.13 36.70 2jrl s GLU 98 CO 0.77 -0.26 -0.00 0.12 -0.56 0.00 0.00 175.26 175.33 2jrl s PHE 99 N -1.11 3.12 -0.09 5.30 5.36 -1.26 -3.26 117.98 126.04 2jrl s PHE 99 Ca -0.11 -1.39 0.03 0.00 -0.96 0.00 0.00 56.93 54.50 2jrl s PHE 99 Cb -0.02 -2.14 0.01 0.00 -0.34 0.00 0.00 43.02 40.53 2jrl s PHE 99 CO 0.07 -0.69 -0.18 -0.51 -1.46 0.00 0.00 175.22 172.46 2jrl s LEU 100 N 1.38 1.86 0.00 6.12 1.43 -1.21 -5.06 118.68 123.20 2jrl s LEU 100 Ca 0.00 -0.43 -0.20 0.00 -1.03 0.00 0.00 54.13 52.48 2jrl s LEU 100 Cb -0.17 -1.12 0.31 0.00 0.03 0.00 0.00 46.19 45.24 2jrl s LEU 100 CO -0.02 0.09 0.70 -0.62 0.23 0.00 0.00 176.35 176.73 2jrl n GLU 101 N 3.72 -4.23 0.31 1.70 1.02 -1.26 -2.99 120.64 118.91 2jrl n GLU 101 Ca -0.21 -1.17 -0.18 0.00 -0.02 0.00 0.00 57.16 55.58 2jrl n GLU 101 Cb 0.52 -1.55 -0.09 0.00 -0.02 0.00 0.00 31.44 30.30 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 -0.98 -6.42 3.49 1.63 -0.72 -3.41 116.57 110.15 2jrl h LYS 102 Ca -0.32 0.07 -0.54 0.00 -0.85 0.00 0.00 60.65 59.01 2jrl h LYS 102 Cb 1.07 0.22 0.01 0.00 -0.60 0.00 0.00 32.23 32.93 2jrl h LYS 102 CO 0.19 -0.65 0.82 -1.25 -3.45 0.00 0.00 179.45 175.11 2jrl s PRO 103 N -5.73 4.28 -0.03 1.90 0.04 -1.26 -5.00 135.00 129.20 2jrl s PRO 103 Ca -0.17 2.02 -0.20 0.00 0.04 0.00 0.00 61.00 62.69 2jrl s PRO 103 Cb 0.04 -3.50 0.04 0.00 0.04 0.00 0.00 34.50 31.11 2jrl s PRO 103 CO 0.57 -0.56 0.44 -0.59 0.04 0.00 0.00 177.00 176.90 2jrl s PHE 104 N 2.13 -0.35 0.13 0.56 -0.12 -1.26 -5.10 117.98 113.97 2jrl s PHE 104 Ca 0.65 0.57 0.06 0.00 -0.05 0.00 0.00 56.93 58.16 2jrl s PHE 104 Cb -0.33 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.22 2jrl s PHE 104 CO 0.28 -0.46 0.03 -1.12 -0.05 0.00 0.00 175.22 173.89 2jrl s SER 105 N -1.26 5.05 0.56 1.98 0.01 -1.26 -4.95 113.70 113.82 2jrl s SER 105 Ca -0.13 -0.23 0.32 0.00 1.31 0.00 0.00 55.95 57.23 2jrl s SER 105 Cb -0.03 -1.19 1.47 0.00 0.21 0.00 0.00 66.02 66.47 2jrl s SER 105 CO 0.06 0.13 1.82 1.62 0.41 0.00 0.00 173.24 177.28 2jrl h VAL 106 N 2.60 0.41 -0.06 3.43 3.04 -2.02 0.44 116.25 124.08 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 0.48 -0.00 0.00 -2.01 0.00 0.00 31.29 30.94 2jrl h VAL 106 CO 0.60 0.00 0.03 -0.08 -1.01 0.00 0.00 177.57 177.11 2jrl h GLU 107 N 0.00 0.09 0.00 4.17 4.81 -1.99 0.19 114.58 121.84 2jrl h GLU 107 Ca 0.42 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.47 2jrl h GLU 107 Cb 1.83 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 31.17 2jrl h GLU 107 CO -0.00 0.18 -0.98 -0.09 -0.73 0.00 0.00 179.01 177.39 2jrl h ARG 108 N -0.03 0.00 -0.03 1.92 9.65 -1.32 -3.05 114.38 121.52 2jrl h ARG 108 Ca 0.02 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.88 2jrl h ARG 108 Cb 0.13 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.71 2jrl h ARG 108 CO -0.00 0.58 -0.04 0.35 2.80 0.00 0.00 179.97 183.65 2jrl h PHE 109 N 0.00 0.10 -0.53 2.20 3.04 -0.16 -2.73 116.94 118.86 2jrl h PHE 109 Ca -0.07 -0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.77 2jrl h PHE 109 Cb 1.60 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 40.07 2jrl h PHE 109 CO 0.00 0.59 0.03 1.37 -2.02 0.00 0.00 178.31 178.28 2jrl h LEU 110 N -0.42 0.84 -1.57 0.59 8.10 -0.76 -2.51 115.31 119.58 2jrl h LEU 110 Ca 0.00 -0.20 -0.02 0.00 0.11 0.00 0.00 57.88 57.77 2jrl h LEU 110 Cb 0.58 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 40.56 2jrl h LEU 110 CO 0.01 0.88 0.05 0.25 -4.11 0.00 0.00 178.44 175.52 2jrl h LEU 111 N 0.82 0.29 -0.04 0.17 6.46 -1.55 -1.42 115.31 120.04 2jrl h LEU 111 Ca 0.16 -0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 2jrl h LEU 111 Cb 0.44 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.30 2jrl h LEU 111 CO 0.02 0.31 -0.01 0.74 -0.62 0.00 0.00 178.44 178.88 2jrl h THR 112 N 0.33 1.28 0.74 1.05 2.02 -1.12 -2.65 112.91 114.56 2jrl h THR 112 Ca 0.08 -0.85 -0.04 0.00 0.77 0.00 0.00 66.41 66.37 2jrl h THR 112 Cb 0.14 1.78 0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2jrl h THR 112 CO -0.00 0.23 -0.36 0.40 0.37 0.00 0.00 175.52 176.16 2jrl h ILE 113 N -0.26 0.15 -0.92 3.11 1.08 -1.35 0.31 117.51 119.63 2jrl h ILE 113 Ca 0.01 -0.19 0.26 0.00 -0.39 0.00 0.00 64.86 64.56 2jrl h ILE 113 Cb 0.37 0.19 -0.16 0.00 -3.07 0.00 0.00 36.82 34.15 2jrl h ILE 113 CO 0.00 0.01 0.20 0.50 -0.69 0.00 0.00 178.15 178.17 2jrl h LYS 114 N -1.16 0.12 0.00 2.37 3.64 -1.36 0.87 116.57 121.05 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 0.79 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 2jrl h LYS 114 CO 0.17 0.08 -0.83 0.45 -2.27 0.00 0.00 179.45 177.05 2jrl h HIS 115 N 0.12 0.00 -0.73 1.91 3.86 -1.36 -3.16 115.15 115.79 2jrl h HIS 115 Ca 0.60 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.92 2jrl h HIS 115 Cb 1.26 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.65 2jrl h HIS 115 CO -0.32 0.83 0.34 0.00 0.86 0.00 0.00 177.93 179.64 2jrl h ALA 116 N 1.17 1.03 0.21 2.45 0.00 0.47 -0.42 119.26 124.17 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 1.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2jrl h ALA 116 CO 0.11 -0.11 -0.10 0.74 0.00 0.00 0.00 179.25 179.89 2jrl h PHE 117 N 0.54 -0.26 -0.99 0.00 -1.00 -1.48 -2.55 116.94 111.21 2jrl h PHE 117 Ca 0.38 -0.01 0.36 0.00 2.81 0.00 0.00 57.97 61.52 2jrl h PHE 117 Cb 0.48 0.08 -0.18 0.00 3.61 0.00 0.00 35.95 39.95 2jrl h PHE 117 CO -0.13 -0.16 0.34 0.39 -1.61 0.00 0.00 178.31 177.15 2jrl n GLU 118 N -4.03 -0.07 0.13 1.51 1.02 -1.18 -0.04 120.64 117.99 2jrl n GLU 118 Ca -0.03 1.41 -0.13 0.00 -0.02 0.00 0.00 57.16 58.38 2jrl n GLU 118 Cb 0.11 -2.42 -0.08 0.00 -0.02 0.00 0.00 31.44 29.03 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 -0.34 -1.03 3.49 4.57 -1.15 -3.06 114.58 117.06 2jrl h GLU 119 Ca 0.75 0.02 0.26 0.00 -1.18 0.00 0.00 59.36 59.21 2jrl h GLU 119 Cb 1.86 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 30.43 2jrl h GLU 119 CO -0.82 -0.02 0.66 -0.92 -1.18 0.00 0.00 179.01 176.72 2jrl h TYR 120 N -0.71 0.70 0.00 0.92 5.03 -0.01 -3.52 116.97 119.39 2jrl h TYR 120 Ca -0.04 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.30 2jrl h TYR 120 Cb 0.48 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.56 2jrl h TYR 120 CO 0.03 0.08 0.00 0.43 -1.32 0.00 0.00 178.16 177.38