#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 -1.48 -2.78 2.12 4.76 -1.26 -4.78 118.16 114.74 2jrl n LYS 2 Ca 0.00 0.92 -0.43 0.00 -2.87 0.00 0.00 58.31 55.93 2jrl n LYS 2 Cb 0.00 -5.29 -0.04 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 -3.71 3.27 -0.02 1.97 0.52 -1.26 -1.86 118.95 117.85 2jrl s ARG 3 Ca 0.00 -0.37 0.07 0.00 -0.52 0.00 0.00 55.73 54.91 2jrl s ARG 3 Cb 0.00 -4.12 -0.02 0.00 0.52 0.00 0.00 34.95 31.34 2jrl s ARG 3 CO 0.00 -1.69 -0.24 0.54 0.02 0.00 0.00 175.30 173.93 2jrl s VAL 4 N 4.32 1.92 -0.18 3.52 0.11 -1.11 -3.73 120.40 125.24 2jrl s VAL 4 Ca 0.30 -1.03 -0.00 0.00 -2.93 0.00 0.00 61.98 58.31 2jrl s VAL 4 Cb -0.13 -1.59 0.01 0.00 -1.53 0.00 0.00 36.38 33.14 2jrl s VAL 4 CO 0.17 0.54 -0.16 -0.22 -3.33 0.00 0.00 175.10 172.10 2jrl s LEU 5 N -0.54 2.37 -0.38 2.54 2.96 -1.23 -2.46 118.68 121.95 2jrl s LEU 5 Ca 0.08 -0.55 -0.16 0.00 -0.22 0.00 0.00 54.13 53.28 2jrl s LEU 5 Cb -0.10 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 45.04 2jrl s LEU 5 CO -0.01 0.02 0.41 -0.69 -1.32 0.00 0.00 176.35 174.76 2jrl s VAL 6 N 1.21 5.11 -0.34 1.68 1.01 0.49 -0.65 120.40 128.92 2jrl s VAL 6 Ca 0.02 -0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 2jrl s VAL 6 Cb -0.14 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 2jrl s VAL 6 CO -0.07 -0.25 0.30 -0.69 0.00 0.00 0.00 175.10 174.39 2jrl s VAL 7 N 2.12 5.23 -0.29 2.92 1.01 0.16 -2.59 120.40 128.95 2jrl s VAL 7 Ca 0.13 -0.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.88 2jrl s VAL 7 Cb -0.17 -3.76 0.12 0.00 0.00 0.00 0.00 36.38 32.57 2jrl s VAL 7 CO 0.13 -0.04 0.88 -0.62 0.00 0.00 0.00 175.10 175.45 2jrl s ASP 8 N 1.73 -0.65 0.00 3.32 -1.08 -0.07 -2.51 116.67 117.41 2jrl s ASP 8 Ca 0.09 1.05 0.00 0.00 -0.52 0.00 0.00 52.55 53.17 2jrl s ASP 8 Cb -0.17 1.24 0.00 0.00 -1.46 0.00 0.00 42.92 42.53 2jrl s ASP 8 CO 0.11 -0.17 0.61 -0.90 0.52 0.00 0.00 175.17 175.34 2jrl n ASP 9 N 3.73 0.04 -4.12 -0.34 5.75 -1.26 -4.31 116.55 116.05 2jrl n ASP 9 Ca -0.18 -1.26 -0.37 0.00 -0.01 0.00 0.00 54.79 52.97 2jrl n ASP 9 Cb 0.58 -0.02 -0.07 0.00 -1.03 0.00 0.00 41.12 40.57 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 -1.93 3.03 0.62 0.11 2.56 -1.26 -4.90 118.70 116.93 2jrl s GLU 10 Ca 0.00 -2.91 0.30 0.00 0.00 0.00 0.00 54.97 52.36 2jrl s GLU 10 Cb 0.00 -3.91 1.67 0.00 2.00 0.00 0.00 34.13 33.89 2jrl s GLU 10 CO 0.00 -1.23 2.01 1.49 -0.56 0.00 0.00 175.26 176.97 2jrl h GLU 11 N 6.57 0.00 -0.42 4.30 4.81 -1.99 -0.12 114.58 127.73 2jrl h GLU 11 Ca 0.08 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 2jrl h GLU 11 Cb 0.89 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 2jrl h GLU 11 CO 0.79 0.00 -0.04 0.77 -0.73 0.00 0.00 179.01 179.80 2jrl h SER 12 N 0.00 0.77 0.14 1.04 0.02 -1.95 -1.69 113.55 111.89 2jrl h SER 12 Ca 0.09 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 2jrl h SER 12 Cb 0.68 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2jrl h SER 12 CO -0.00 0.92 -0.07 0.40 -1.14 0.00 0.00 176.83 176.94 2jrl h ILE 13 N 0.61 0.50 -1.02 3.27 1.08 -1.46 -3.26 117.51 117.24 2jrl h ILE 13 Ca 0.12 -1.13 0.25 0.00 -0.39 0.00 0.00 64.86 63.71 2jrl h ILE 13 Cb 0.55 0.90 -0.09 0.00 -3.07 0.00 0.00 36.82 35.10 2jrl h ILE 13 CO 0.03 0.15 0.66 0.71 -0.69 0.00 0.00 178.15 179.01 2jrl h THR 14 N -0.99 0.55 -0.76 -0.27 1.35 -1.49 0.33 112.91 111.64 2jrl h THR 14 Ca -0.02 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 2jrl h THR 14 Cb 0.39 0.12 -0.04 0.00 -1.73 0.00 0.00 68.15 66.90 2jrl h THR 14 CO 0.03 0.07 0.48 -1.28 -0.25 0.00 0.00 175.52 174.57 2jrl h SER 15 N 0.40 0.89 0.04 5.36 0.87 -1.38 0.16 113.55 119.89 2jrl h SER 15 Ca 0.57 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 61.09 2jrl h SER 15 Cb 1.45 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2jrl h SER 15 CO -0.27 0.67 -0.02 0.28 -0.53 0.00 0.00 176.83 176.96 2jrl h SER 16 N 1.04 -0.05 -0.07 6.23 0.02 -0.44 -3.04 113.55 117.25 2jrl h SER 16 Ca 0.28 -0.56 0.02 0.00 -0.84 0.00 0.00 61.79 60.69 2jrl h SER 16 Cb -0.08 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 2jrl h SER 16 CO -0.06 0.69 0.09 -0.07 -1.14 0.00 0.00 176.83 176.34 2jrl h LEU 17 N -0.94 0.00 -0.26 5.07 4.07 -1.14 0.11 115.31 122.22 2jrl h LEU 17 Ca -0.01 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.77 2jrl h LEU 17 Cb 0.60 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.32 2jrl h LEU 17 CO 0.01 0.00 -0.87 0.77 -1.08 0.00 0.00 178.44 177.27 2jrl h SER 18 N 0.00 0.03 -0.37 -0.43 4.64 -0.74 -2.31 113.55 114.37 2jrl h SER 18 Ca 0.03 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.20 2jrl h SER 18 Cb 0.21 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2jrl h SER 18 CO -0.00 0.89 -0.27 0.00 -0.87 0.00 0.00 176.83 176.58 2jrl h ALA 19 N 1.11 0.53 -0.04 5.18 0.00 -0.85 -1.45 119.26 123.74 2jrl h ALA 19 Ca -0.01 -0.40 -0.21 0.00 0.00 0.00 0.00 54.91 54.28 2jrl h ALA 19 Cb 1.54 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2jrl h ALA 19 CO 0.12 0.54 -0.86 0.82 0.00 0.00 0.00 179.25 179.87 2jrl h ILE 20 N 0.63 1.38 -0.09 0.00 1.08 -1.56 -2.57 117.51 116.38 2jrl h ILE 20 Ca 0.07 -2.31 -0.02 0.00 -0.39 0.00 0.00 64.86 62.22 2jrl h ILE 20 Cb 0.84 2.28 -0.00 0.00 -3.07 0.00 0.00 36.82 36.87 2jrl h ILE 20 CO 0.07 0.69 -0.00 0.25 -0.69 0.00 0.00 178.15 178.47 2jrl h LEU 21 N 0.27 0.17 -1.72 1.44 5.85 -1.39 -2.77 115.31 117.16 2jrl h LEU 21 Ca -0.06 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 2jrl h LEU 21 Cb 1.47 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.45 2jrl h LEU 21 CO 0.15 0.44 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.46 2jrl h GLU 22 N -0.11 0.00 -0.35 1.25 4.22 -1.33 -1.65 114.58 116.60 2jrl h GLU 22 Ca 0.03 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 59.33 2jrl h GLU 22 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2jrl h GLU 22 CO 0.01 0.15 -0.32 1.49 -2.18 0.00 0.00 179.01 178.15 2jrl h GLU 23 N 0.00 0.77 0.00 1.92 4.81 -1.20 -2.45 114.58 118.43 2jrl h GLU 23 Ca -0.00 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 2jrl h GLU 23 Cb 0.44 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2jrl h GLU 23 CO 0.02 0.98 0.00 0.39 -0.73 0.00 0.00 179.01 179.67 2jrl n GLU 24 N -4.07 0.95 -0.08 1.92 4.71 -0.99 -4.82 120.64 118.25 2jrl n GLU 24 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 2jrl n GLU 24 Cb 0.49 -1.19 0.00 0.00 -1.01 0.00 0.00 31.44 29.73 2jrl n GLU 24 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jrl n GLY 25 N 0.62 1.04 3.70 0.62 0.00 -0.92 -5.05 105.19 105.20 2jrl n GLY 25 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.46 1.88 -0.59 1.61 2.02 -0.66 -4.95 117.35 114.21 2jrl s TYR 26 Ca 0.00 0.81 0.04 0.00 -0.37 0.00 0.00 57.07 57.55 2jrl s TYR 26 Cb 0.00 -3.38 0.14 0.00 -0.40 0.00 0.00 41.96 38.32 2jrl s TYR 26 CO 0.00 -2.95 0.35 -1.01 -1.57 0.00 0.00 175.55 170.37 2jrl s HIS 27 N -3.11 3.32 0.48 2.71 3.76 -0.78 -3.86 115.29 117.81 2jrl s HIS 27 Ca 0.66 -3.21 -0.22 0.00 -0.15 0.00 0.00 55.06 52.15 2jrl s HIS 27 Cb -0.15 -2.81 -0.07 0.00 1.11 0.00 0.00 32.58 30.66 2jrl s HIS 27 CO 0.56 -0.69 1.16 -1.25 -0.85 0.00 0.00 174.74 173.67 2jrl s PRO 28 N -0.66 3.67 0.14 8.40 0.04 -1.25 -2.74 135.00 142.60 2jrl s PRO 28 Ca 0.20 1.73 0.03 0.00 0.04 0.00 0.00 61.00 63.00 2jrl s PRO 28 Cb -0.19 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 2jrl s PRO 28 CO -0.05 -0.62 -0.06 0.34 0.04 0.00 0.00 177.00 176.64 2jrl s ASP 29 N -1.46 1.48 0.02 6.66 -1.08 -1.03 -4.92 116.67 116.33 2jrl s ASP 29 Ca 0.66 -1.06 0.05 0.00 -0.52 0.00 0.00 52.55 51.68 2jrl s ASP 29 Cb -0.27 0.05 -0.02 0.00 -1.46 0.00 0.00 42.92 41.22 2jrl s ASP 29 CO 0.33 -0.43 -0.15 0.42 0.52 0.00 0.00 175.17 175.85 2jrl s THR 30 N -3.49 1.23 -0.16 1.71 -4.23 -1.24 -0.38 115.64 109.09 2jrl s THR 30 Ca 0.17 -0.86 -0.06 0.00 -1.18 0.00 0.00 61.69 59.76 2jrl s THR 30 Cb 0.04 -1.06 0.07 0.00 1.34 0.00 0.00 72.50 72.89 2jrl s THR 30 CO 0.00 0.19 0.34 0.00 -0.54 0.00 0.00 174.62 174.61 2jrl s ALA 31 N -0.61 -0.85 -0.94 3.99 0.00 -1.07 -4.95 121.76 117.33 2jrl s ALA 31 Ca 0.04 1.24 0.26 0.00 0.00 0.00 0.00 51.96 53.50 2jrl s ALA 31 Cb -0.07 -1.07 0.61 0.00 0.00 0.00 0.00 23.12 22.59 2jrl s ALA 31 CO 0.00 -0.57 1.49 0.36 0.00 0.00 0.00 175.76 177.04 2jrl n LYS 32 N 5.07 0.05 -3.86 0.00 0.00 -1.26 -0.89 118.16 117.26 2jrl n LYS 32 Ca -0.12 0.01 -0.12 0.00 -0.00 0.00 0.00 58.31 58.09 2jrl n LYS 32 Cb 0.51 -1.53 -0.13 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 -3.03 0.00 0.00 0.58 -4.23 -1.26 -4.57 115.64 103.14 2jrl s THR 33 Ca 0.11 -0.03 -0.25 0.00 -1.18 0.00 0.00 61.69 60.34 2jrl s THR 33 Cb 0.17 -0.08 -0.18 0.00 1.34 0.00 0.00 72.50 73.75 2jrl s THR 33 CO 0.67 -0.02 1.31 -0.07 -0.54 0.00 0.00 174.62 175.98 2jrl h LEU 34 N 6.03 -0.13 -1.06 4.79 3.38 -1.95 -2.94 115.31 123.42 2jrl h LEU 34 Ca -0.25 -0.30 0.37 0.00 0.09 0.00 0.00 57.88 57.80 2jrl h LEU 34 Cb 1.21 0.03 -0.16 0.00 0.09 0.00 0.00 40.66 41.83 2jrl h LEU 34 CO 0.48 0.24 0.60 0.08 0.09 0.00 0.00 178.44 179.93 2jrl h ARG 35 N -0.53 0.17 -0.36 1.13 -0.00 -1.98 1.07 114.38 113.88 2jrl h ARG 35 Ca -0.02 -0.01 -0.16 0.00 -0.00 0.00 0.00 59.98 59.79 2jrl h ARG 35 Cb 0.42 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.97 30.35 2jrl h ARG 35 CO 0.03 0.11 -0.41 1.49 -0.00 0.00 0.00 179.97 181.19 2jrl h GLU 36 N 0.17 0.89 0.00 0.08 4.57 -1.97 -2.63 114.58 115.69 2jrl h GLU 36 Ca 0.79 -0.48 -0.01 0.00 -1.18 0.00 0.00 59.36 58.48 2jrl h GLU 36 Cb 2.01 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 30.62 2jrl h GLU 36 CO -0.63 1.13 -0.03 0.00 -1.18 0.00 0.00 179.01 178.29 2jrl h ALA 37 N 0.80 0.99 0.04 2.92 0.00 0.11 -3.04 119.26 121.08 2jrl h ALA 37 Ca 0.05 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.67 2jrl h ALA 37 Cb 1.00 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.81 2jrl h ALA 37 CO 0.10 0.04 -1.04 0.93 0.00 0.00 0.00 179.25 179.28 2jrl h GLU 38 N 0.00 0.64 -0.12 0.00 5.08 -0.03 -1.20 114.58 118.95 2jrl h GLU 38 Ca -0.00 -0.74 -0.01 0.00 -1.00 0.00 0.00 59.36 57.61 2jrl h GLU 38 Cb 0.77 0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2jrl h GLU 38 CO 0.00 1.32 0.02 -0.22 -1.00 0.00 0.00 179.01 179.13 2jrl h LYS 39 N 0.28 0.20 -0.05 2.33 1.63 -1.45 -2.48 116.57 117.02 2jrl h LYS 39 Ca -0.14 -0.05 -0.12 0.00 -0.85 0.00 0.00 60.65 59.49 2jrl h LYS 39 Cb 1.71 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 33.31 2jrl h LYS 39 CO 0.20 0.40 -0.51 1.57 -3.45 0.00 0.00 179.45 177.66 2jrl h LYS 40 N -0.04 0.14 -0.39 1.90 2.10 -1.64 -2.76 116.57 115.88 2jrl h LYS 40 Ca 0.04 -0.08 -0.00 0.00 -2.00 0.00 0.00 60.65 58.61 2jrl h LYS 40 Cb 0.30 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.62 2jrl h LYS 40 CO 0.00 0.62 0.24 0.82 -2.00 0.00 0.00 179.45 179.14 2jrl h ILE 41 N 0.11 1.12 -0.02 0.07 2.04 -1.07 -1.27 117.51 118.48 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 0.95 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2jrl h ILE 41 CO 0.07 0.12 0.00 0.29 0.00 0.00 0.00 178.15 178.63 2jrl n LYS 42 N -4.79 1.19 -0.02 2.37 5.02 -0.95 -3.03 118.16 117.96 2jrl n LYS 42 Ca 0.00 -0.28 0.08 0.00 -2.02 0.00 0.00 58.31 56.10 2jrl n LYS 42 Cb 0.04 -1.41 0.07 0.00 -0.02 0.00 0.00 35.03 33.72 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 -0.59 1.26 -3.77 1.97 0.28 -0.54 -5.01 120.64 114.24 2jrl n GLU 43 Ca 0.19 -1.48 -0.09 0.00 -0.16 0.00 0.00 57.16 55.62 2jrl n GLU 43 Cb 0.16 -1.30 -0.03 0.00 1.43 0.00 0.00 31.44 31.69 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 -1.28 -0.07 -0.27 -1.84 -0.00 -0.87 -5.04 118.68 109.32 2jrl s LEU 44 Ca 0.19 -0.52 -0.14 0.00 -0.00 0.00 0.00 54.13 53.66 2jrl s LEU 44 Cb 0.13 2.32 -0.04 0.00 -0.00 0.00 0.00 46.19 48.60 2jrl s LEU 44 CO 0.20 -1.14 0.33 0.12 -0.00 0.00 0.00 176.35 175.85 2jrl s PHE 45 N -3.89 3.24 -0.14 3.48 2.19 -1.26 -4.79 117.98 116.81 2jrl s PHE 45 Ca 0.10 0.34 0.01 0.00 0.33 0.00 0.00 56.93 57.72 2jrl s PHE 45 Cb -0.02 -2.52 0.02 0.00 -1.31 0.00 0.00 43.02 39.18 2jrl s PHE 45 CO 0.00 -0.21 -0.16 -0.59 1.83 0.00 0.00 175.22 176.09 2jrl s PHE 46 N 1.97 2.23 -0.02 10.12 -0.71 -1.26 -4.94 117.98 125.37 2jrl s PHE 46 Ca 0.13 -1.17 -0.23 0.00 -1.04 0.00 0.00 56.93 54.62 2jrl s PHE 46 Cb -0.16 -1.60 -0.16 0.00 -1.21 0.00 0.00 43.02 39.90 2jrl s PHE 46 CO 0.10 -0.61 1.05 -1.00 -1.34 0.00 0.00 175.22 173.43 2jrl h PRO 47 N 7.71 -0.32 -4.44 1.99 0.13 -1.95 -3.45 132.00 131.67 2jrl h PRO 47 Ca -0.35 0.02 -0.35 0.00 -0.87 0.00 0.00 66.00 64.44 2jrl h PRO 47 Cb 1.16 0.07 -0.29 0.00 0.13 0.00 0.00 31.00 32.07 2jrl h PRO 47 CO 0.53 0.05 -0.76 0.14 -0.23 0.00 0.00 178.00 177.72 2jrl s VAL 48 N -4.06 0.52 0.03 1.56 -7.23 -1.24 -2.77 120.40 107.21 2jrl s VAL 48 Ca -0.13 -0.27 0.03 0.00 -1.81 0.00 0.00 61.98 59.79 2jrl s VAL 48 Cb 0.01 -0.45 -0.02 0.00 0.56 0.00 0.00 36.38 36.49 2jrl s VAL 48 CO 0.50 0.15 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.73 2jrl s ILE 49 N -0.09 0.63 -0.17 -0.62 1.01 -0.76 -3.57 121.20 117.63 2jrl s ILE 49 Ca 0.02 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 59.82 2jrl s ILE 49 Cb -0.03 -0.62 -0.01 0.00 0.01 0.00 0.00 42.46 41.80 2jrl s ILE 49 CO -0.00 -0.16 -0.10 -0.69 0.00 0.00 0.00 174.94 173.98 2jrl s VAL 50 N -0.92 3.09 -0.15 2.92 1.01 0.18 -0.79 120.40 125.74 2jrl s VAL 50 Ca -0.04 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 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 0.48 0.02 -0.22 0.00 0.00 0.00 175.10 175.39 2jrl s LEU 51 N 0.92 0.97 0.93 3.92 2.96 -0.54 0.37 118.68 128.20 2jrl s LEU 51 Ca -0.02 -0.56 -0.12 0.00 -0.22 0.00 0.00 54.13 53.21 2jrl s LEU 51 Cb -0.15 -0.54 0.15 0.00 0.50 0.00 0.00 46.19 46.15 2jrl s LEU 51 CO -0.00 -0.27 1.09 1.51 -1.32 0.00 0.00 176.35 177.36 2jrl s ASP 52 N 1.90 3.18 -0.13 3.68 -4.77 -1.04 -3.43 116.67 116.06 2jrl s ASP 52 Ca 0.01 1.42 -0.25 0.00 -3.30 0.00 0.00 52.55 50.43 2jrl s ASP 52 Cb -0.15 -2.10 -0.22 0.00 -1.09 0.00 0.00 42.92 39.36 2jrl s ASP 52 CO -0.07 -2.81 0.70 0.58 0.70 0.00 0.00 175.17 174.27 2jrl h VAL 53 N -1.67 1.54 -0.14 2.11 2.07 -0.39 -3.35 116.25 116.41 2jrl h VAL 53 Ca -0.51 -2.10 -0.00 0.00 0.82 0.00 0.00 66.70 64.91 2jrl h VAL 53 Cb 1.30 2.88 -0.00 0.00 -1.52 0.00 0.00 31.29 33.94 2jrl h VAL 53 CO 0.55 0.51 0.04 1.87 0.02 0.00 0.00 177.57 180.56 2jrl n TRP 54 N -4.65 0.94 -5.04 1.57 -0.00 -1.26 -3.65 117.44 105.36 2jrl n TRP 54 Ca -0.09 -0.12 -0.30 0.00 -0.00 0.00 0.00 57.50 57.00 2jrl n TRP 54 Cb 0.41 -2.56 -0.15 0.00 -0.00 0.00 0.00 31.31 29.01 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 8.58 1.87 0.00 5.87 1.75 -1.26 -4.58 119.30 131.53 2jrl s MET 55 Ca 0.83 -1.02 -0.23 0.00 -1.25 0.00 0.00 55.69 54.02 2jrl s MET 55 Cb -0.08 -1.95 -0.18 0.00 2.84 0.00 0.00 34.83 35.47 2jrl s MET 55 CO 0.16 0.52 1.30 -1.00 -0.65 0.00 0.00 175.02 175.35 2jrl h PRO 56 N 5.08 0.16 0.01 4.11 0.13 -1.89 -3.31 132.00 136.29 2jrl h PRO 56 Ca -0.45 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2jrl h PRO 56 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2jrl h PRO 56 CO 0.45 0.60 -0.00 0.22 -0.23 0.00 0.00 178.00 179.04 2jrl h ASP 57 N -0.28 -0.01 -3.48 1.44 1.82 -1.97 -3.47 116.42 110.46 2jrl h ASP 57 Ca 0.01 -0.18 0.24 0.00 -0.39 0.00 0.00 57.03 56.70 2jrl h ASP 57 Cb 0.57 0.00 -0.25 0.00 0.68 0.00 0.00 39.33 40.33 2jrl h ASP 57 CO 0.02 0.18 0.89 -0.83 -1.61 0.00 0.00 179.24 177.89 2jrl s GLY 58 N -2.56 -0.04 0.99 -0.78 0.00 -1.25 -5.08 107.32 98.61 2jrl s GLY 58 Ca -0.14 2.47 -0.16 0.00 0.00 0.00 0.00 44.72 46.89 2jrl s GLY 58 CO 0.66 0.97 -0.26 1.22 0.00 0.00 0.00 173.10 175.69 2jrl n ASP 59 N 0.40 -3.66 0.00 1.64 8.00 -1.26 -4.47 116.55 117.20 2jrl n ASP 59 Ca -0.00 0.19 -0.20 0.00 0.71 0.00 0.00 54.79 55.49 2jrl n ASP 59 Cb 0.58 -0.95 -0.14 0.00 -0.02 0.00 0.00 41.12 40.59 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 2.47 -0.58 0.31 0.44 0.00 -1.24 -3.47 105.19 103.12 2jrl n GLY 60 Ca 0.02 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 0.07 0.59 0.00 1.61 3.04 -1.90 0.21 116.25 119.87 2jrl h VAL 61 Ca -0.42 -0.17 -0.13 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 31.36 2jrl h VAL 61 CO 0.08 0.09 -0.61 -1.13 -1.01 0.00 0.00 177.57 174.99 2jrl h ASN 62 N 0.49 0.00 -0.29 3.17 -0.73 -1.96 -3.20 115.58 113.05 2jrl h ASN 62 Ca 0.50 0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.69 2jrl h ASN 62 Cb 0.85 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.42 2jrl h ASN 62 CO -0.45 0.61 0.20 0.15 -0.37 0.00 0.00 177.43 177.57 2jrl h PHE 63 N 0.00 0.30 -0.82 0.67 3.57 -0.62 -2.30 116.94 117.74 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 1.36 -0.10 -0.11 0.00 2.79 0.00 0.00 35.95 39.89 2jrl h PHE 63 CO 0.00 0.18 0.33 0.82 -2.23 0.00 0.00 178.31 177.41 2jrl h ILE 64 N 0.31 0.57 -0.98 1.41 2.04 -1.45 -0.64 117.51 118.78 2jrl h ILE 64 Ca 0.12 -0.15 0.32 0.00 1.00 0.00 0.00 64.86 66.16 2jrl h ILE 64 Cb 0.08 0.11 -0.18 0.00 -0.74 0.00 0.00 36.82 36.10 2jrl h ILE 64 CO -0.02 0.08 0.22 -0.67 0.00 0.00 0.00 178.15 177.75 2jrl n ASP 65 N -5.03 0.06 -0.06 1.72 -0.08 -0.86 0.68 116.55 112.99 2jrl n ASP 65 Ca 0.18 1.65 -0.13 0.00 -1.51 0.00 0.00 54.79 54.98 2jrl n ASP 65 Cb 0.51 -0.68 -0.07 0.00 2.34 0.00 0.00 41.12 43.23 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 0.41 0.16 -0.67 3.57 -1.30 -2.79 116.94 116.32 2jrl h PHE 66 Ca 0.69 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 62.07 2jrl h PHE 66 Cb 1.61 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 40.25 2jrl h PHE 66 CO -0.31 0.69 -0.11 0.82 -2.23 0.00 0.00 178.31 177.18 2jrl h ILE 67 N 0.00 0.77 0.00 1.41 2.04 0.31 -0.67 117.51 121.37 2jrl h ILE 67 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2jrl h ILE 67 Cb 0.60 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 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 -5.22 0.03 -0.02 2.37 4.76 0.96 0.13 118.16 121.18 2jrl n LYS 68 Ca -0.08 0.49 -0.21 0.00 -2.87 0.00 0.00 58.31 55.64 2jrl n LYS 68 Cb 0.14 -1.60 -0.14 0.00 -1.84 0.00 0.00 35.03 31.60 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 0.74 -0.50 1.97 2.13 -0.38 -3.93 120.64 119.01 2jrl n GLU 69 Ca 0.00 0.24 0.04 0.00 0.66 0.00 0.00 57.16 58.11 2jrl n GLU 69 Cb 0.04 -1.68 0.21 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 -3.45 2.94 0.00 4.31 0.23 -0.48 -4.78 115.26 114.03 2jrl n ASN 70 Ca -0.34 -3.35 0.00 0.00 -0.53 0.00 0.00 54.58 50.35 2jrl n ASN 70 Cb 1.04 -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 -0.95 0.00 -0.10 0.53 2.88 0.35 -4.99 113.62 111.34 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 64.30 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 0.80 0.00 -1.46 0.13 -1.68 -2.85 132.00 126.94 2jrl h PRO 72 Ca 0.00 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 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 1.05 0.00 -0.25 -0.23 0.00 0.00 178.00 178.57 2jrl n ASP 73 N -4.18 0.00 -4.81 1.44 8.00 -1.26 -4.80 116.55 110.94 2jrl n ASP 73 Ca -0.03 0.23 -0.33 0.00 0.71 0.00 0.00 54.79 55.37 2jrl n ASP 73 Cb 0.50 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 41.19 2jrl n ASP 73 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2jrl s SER 74 N -2.77 6.27 -0.12 -2.24 1.04 -1.07 -4.95 113.70 109.86 2jrl s SER 74 Ca 0.15 1.76 0.02 0.00 0.48 0.00 0.00 55.95 58.35 2jrl s SER 74 Cb 0.14 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.74 2jrl s SER 74 CO 0.34 -0.83 -0.16 -0.69 0.98 0.00 0.00 173.24 172.88 2jrl s VAL 75 N -2.37 1.62 0.05 5.02 1.01 -1.11 -5.00 120.40 119.62 2jrl s VAL 75 Ca 0.63 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 62.00 2jrl s VAL 75 Cb -0.14 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 2jrl s VAL 75 CO 0.29 0.47 -0.25 -0.69 0.00 0.00 0.00 175.10 174.91 2jrl s VAL 76 N 1.05 2.26 -0.18 2.92 1.01 -1.13 -1.82 120.40 124.51 2jrl s VAL 76 Ca -0.04 -1.40 -0.05 0.00 0.00 0.00 0.00 61.98 60.49 2jrl s VAL 76 Cb -0.15 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 2jrl s VAL 76 CO -0.03 0.33 -0.01 -0.63 0.00 0.00 0.00 175.10 174.75 2jrl s ILE 77 N -0.85 4.01 -0.24 2.22 1.09 0.03 -1.20 121.20 126.26 2jrl s ILE 77 Ca 0.12 -0.31 -0.12 0.00 -1.10 0.00 0.00 60.65 59.24 2jrl s ILE 77 Cb -0.10 -2.79 -0.05 0.00 -1.06 0.00 0.00 42.46 38.47 2jrl s ILE 77 CO 0.03 0.46 0.25 -0.69 -0.10 0.00 0.00 174.94 174.89 2jrl s VAL 78 N 0.62 5.29 0.02 2.92 1.01 -1.19 -1.47 120.40 127.60 2jrl s VAL 78 Ca -0.01 0.36 0.05 0.00 0.00 0.00 0.00 61.98 62.38 2jrl s VAL 78 Cb -0.14 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 2jrl s VAL 78 CO 0.02 0.29 -0.16 0.27 0.00 0.00 0.00 175.10 175.52 2jrl s ILE 79 N 1.32 1.27 0.15 2.22 -4.36 -1.22 -3.39 121.20 117.19 2jrl s ILE 79 Ca 0.11 -0.88 -0.13 0.00 -0.26 0.00 0.00 60.65 59.50 2jrl s ILE 79 Cb -0.14 -1.10 0.01 0.00 1.25 0.00 0.00 42.46 42.48 2jrl s ILE 79 CO 0.07 0.20 0.35 0.28 0.24 0.00 0.00 174.94 176.09 2jrl s THR 80 N -0.61 0.07 -0.35 8.37 -1.32 -1.16 0.42 115.64 121.05 2jrl s THR 80 Ca 0.05 -1.04 0.13 0.00 -1.21 0.00 0.00 61.69 59.62 2jrl s THR 80 Cb -0.07 -1.56 -0.16 0.00 -1.51 0.00 0.00 72.50 69.20 2jrl s THR 80 CO 0.00 -0.31 0.43 0.61 -2.21 0.00 0.00 174.62 173.14 2jrl n GLY 81 N -0.22 -0.35 0.15 6.08 0.00 -1.26 -0.15 105.19 109.44 2jrl n GLY 81 Ca -0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 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 0.09 -2.57 1.61 3.86 -2.00 -3.44 115.15 112.70 2jrl h HIS 82 Ca 0.00 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2jrl h HIS 82 Cb 0.42 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.87 2jrl h HIS 82 CO 0.00 0.62 -0.61 0.41 0.86 0.00 0.00 177.93 179.21 2jrl n GLY 83 N 0.13 -4.28 0.00 2.45 0.00 -1.26 -5.09 105.19 97.13 2jrl n GLY 83 Ca -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2jrl n GLY 83 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jrl n SER 84 N -0.36 0.00 -0.10 1.61 2.88 -1.26 -5.05 113.62 111.34 2jrl n SER 84 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 2jrl n SER 84 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 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 1.28 0.48 2.46 3.04 -1.98 -0.93 116.25 120.60 2jrl h VAL 85 Ca 0.00 -1.11 -0.01 0.00 -1.01 0.00 0.00 66.70 64.57 2jrl h VAL 85 Cb 0.00 1.41 -0.01 0.00 -2.01 0.00 0.00 31.29 30.68 2jrl h VAL 85 CO 0.00 0.35 -0.37 0.44 -1.01 0.00 0.00 177.57 176.99 2jrl h ASP 86 N 0.32 -0.96 0.13 3.17 3.32 -2.01 -1.47 116.42 118.93 2jrl h ASP 86 Ca 0.07 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 2jrl h ASP 86 Cb 0.56 0.30 -0.00 0.00 0.22 0.00 0.00 39.33 40.41 2jrl h ASP 86 CO 0.03 -0.54 -0.11 0.74 -1.72 0.00 0.00 179.24 177.64 2jrl h THR 87 N -0.83 0.97 -0.15 0.35 2.02 -1.97 -2.67 112.91 110.62 2jrl h THR 87 Ca -0.05 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 2jrl h THR 87 Cb 0.71 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 2jrl h THR 87 CO 0.00 0.10 0.05 0.00 0.37 0.00 0.00 175.52 176.04 2jrl h ALA 88 N 1.89 0.20 0.69 6.16 0.00 -0.56 -1.63 119.26 126.01 2jrl h ALA 88 Ca -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2jrl h ALA 88 Cb 0.20 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2jrl h ALA 88 CO 0.01 -0.19 -0.44 0.28 0.00 0.00 0.00 179.25 178.92 2jrl h VAL 89 N 0.06 0.00 -0.46 0.00 2.07 -0.94 0.45 116.25 117.44 2jrl h VAL 89 Ca 0.05 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.70 2jrl h VAL 89 Cb 0.22 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 2jrl h VAL 89 CO -0.00 0.00 0.43 0.07 0.02 0.00 0.00 177.57 178.09 2jrl h LYS 90 N -1.06 0.00 0.00 1.57 2.10 -1.58 0.80 116.57 118.40 2jrl h LYS 90 Ca -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 2jrl h LYS 90 Cb 0.85 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.18 2jrl h LYS 90 CO 0.09 0.00 -0.32 0.00 -2.00 0.00 0.00 179.45 177.22 2jrl n ALA 91 N -2.43 2.62 0.02 0.07 0.00 -0.61 -2.74 120.51 117.43 2jrl n ALA 91 Ca 0.08 -0.14 -0.18 0.00 0.00 0.00 0.00 53.44 53.20 2jrl n ALA 91 Cb 0.62 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 18.61 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 0.80 0.00 0.00 1.08 0.28 -2.16 117.51 117.51 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 0.73 2.56 0.00 0.00 -3.07 0.00 0.00 36.82 37.05 2jrl h ILE 92 CO 0.00 0.79 -0.20 2.29 -0.69 0.00 0.00 178.15 180.34 2jrl n LYS 93 N -3.39 0.12 0.00 2.37 2.85 -0.64 -3.81 118.16 115.67 2jrl n LYS 93 Ca -0.25 0.07 -0.01 0.00 -1.05 0.00 0.00 58.31 57.07 2jrl n LYS 93 Cb 1.05 -1.61 -0.01 0.00 -0.65 0.00 0.00 35.03 33.81 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 -0.07 0.00 -1.58 1.63 -1.64 -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 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.25 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 1.57 0.56 3.56 5.01 0.00 -1.24 -4.91 105.19 109.73 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 3.52 0.23 4.61 0.00 -0.81 -2.86 121.76 126.45 2jrl s ALA 96 Ca 0.00 -1.21 0.16 0.00 0.00 0.00 0.00 51.96 50.91 2jrl s ALA 96 Cb 0.00 -2.60 0.59 0.00 0.00 0.00 0.00 23.12 21.11 2jrl s ALA 96 CO 0.00 -0.77 1.71 -0.92 0.00 0.00 0.00 175.76 175.78 2jrl h TYR 97 N 8.42 0.00 -2.25 0.00 3.20 -1.43 -3.40 116.97 121.51 2jrl h TYR 97 Ca -0.33 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.47 2jrl h TYR 97 Cb 1.17 0.00 -0.20 0.00 1.54 0.00 0.00 36.73 39.24 2jrl h TYR 97 CO 0.71 0.45 0.06 -2.00 -1.64 0.00 0.00 178.16 175.74 2jrl s GLU 98 N -3.68 0.89 -0.27 1.82 2.56 -1.26 -5.09 118.70 113.67 2jrl s GLU 98 Ca -0.01 0.37 -0.03 0.00 0.00 0.00 0.00 54.97 55.31 2jrl s GLU 98 Cb 0.12 0.42 0.03 0.00 2.00 0.00 0.00 34.13 36.70 2jrl s GLU 98 CO 0.71 -0.23 -0.01 0.12 -0.56 0.00 0.00 175.26 175.29 2jrl s PHE 99 N -0.74 3.14 -0.06 5.30 2.19 -1.26 -3.18 117.98 123.36 2jrl s PHE 99 Ca -0.08 -1.53 0.04 0.00 0.33 0.00 0.00 56.93 55.69 2jrl s PHE 99 Cb -0.02 -2.11 0.00 0.00 -1.31 0.00 0.00 43.02 39.57 2jrl s PHE 99 CO 0.06 -0.72 -0.18 -0.51 1.83 0.00 0.00 175.22 175.70 2jrl s LEU 100 N 1.34 1.90 0.00 6.12 1.43 -1.22 -5.06 118.68 123.19 2jrl s LEU 100 Ca -0.01 -0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 52.50 2jrl s LEU 100 Cb -0.18 -1.07 0.29 0.00 0.03 0.00 0.00 46.19 45.27 2jrl s LEU 100 CO -0.02 0.14 0.75 -0.62 0.23 0.00 0.00 176.35 176.83 2jrl n GLU 101 N 3.36 -3.90 0.38 1.70 1.02 -1.26 -3.00 120.64 118.94 2jrl n GLU 101 Ca -0.19 -1.24 -0.17 0.00 -0.02 0.00 0.00 57.16 55.53 2jrl n GLU 101 Cb 0.53 -1.47 -0.09 0.00 -0.02 0.00 0.00 31.44 30.39 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 -1.02 -6.40 3.49 1.63 -0.83 -3.42 116.57 110.02 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 1.06 0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 2jrl h LYS 102 CO 0.20 -0.68 0.84 -1.25 -3.45 0.00 0.00 179.45 175.11 2jrl s PRO 103 N -5.51 4.28 0.07 1.90 0.04 -1.26 -5.00 135.00 129.51 2jrl s PRO 103 Ca -0.16 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 62.68 2jrl s PRO 103 Cb 0.02 -3.54 0.05 0.00 0.04 0.00 0.00 34.50 31.07 2jrl s PRO 103 CO 0.51 -0.58 0.52 -0.59 0.04 0.00 0.00 177.00 176.90 2jrl s PHE 104 N 2.30 -0.41 0.10 0.56 -0.12 -1.26 -5.12 117.98 114.03 2jrl s PHE 104 Ca 0.65 0.39 0.05 0.00 -0.05 0.00 0.00 56.93 57.97 2jrl s PHE 104 Cb -0.33 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.38 2jrl s PHE 104 CO 0.28 -0.68 0.03 -1.12 -0.05 0.00 0.00 175.22 173.68 2jrl s SER 105 N -2.17 5.17 0.55 1.98 0.01 -1.26 -4.95 113.70 113.03 2jrl s SER 105 Ca -0.03 -0.15 0.33 0.00 1.31 0.00 0.00 55.95 57.41 2jrl s SER 105 Cb -0.00 -1.27 1.49 0.00 0.21 0.00 0.00 66.02 66.44 2jrl s SER 105 CO -0.04 0.16 1.81 1.62 0.41 0.00 0.00 173.24 177.20 2jrl h VAL 106 N 2.70 0.41 -0.28 3.43 3.04 -2.02 0.38 116.25 123.91 2jrl h VAL 106 Ca -0.47 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.21 2jrl h VAL 106 Cb 1.17 0.46 -0.01 0.00 -2.01 0.00 0.00 31.29 30.89 2jrl h VAL 106 CO 0.61 0.00 0.14 -0.08 -1.01 0.00 0.00 177.57 177.24 2jrl h GLU 107 N 0.00 0.39 0.00 4.17 4.81 -1.99 0.18 114.58 122.15 2jrl h GLU 107 Ca 0.46 -0.05 -0.25 0.00 -0.13 0.00 0.00 59.36 59.39 2jrl h GLU 107 Cb 1.97 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 31.23 2jrl h GLU 107 CO -0.00 0.36 -1.34 -0.09 -0.73 0.00 0.00 179.01 177.21 2jrl h ARG 108 N 0.33 0.01 -0.02 1.92 9.65 -1.15 -3.06 114.38 122.05 2jrl h ARG 108 Ca 0.10 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 2jrl h ARG 108 Cb 0.09 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.67 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 0.05 -0.60 2.20 3.04 -0.30 -2.75 116.94 118.59 2jrl h PHE 109 Ca -0.14 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.72 2jrl h PHE 109 Cb 1.89 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 40.36 2jrl h PHE 109 CO 0.00 0.43 0.06 1.37 -2.02 0.00 0.00 178.31 178.15 2jrl h LEU 110 N -0.34 0.95 -1.82 0.59 8.10 -0.78 -2.52 115.31 119.49 2jrl h LEU 110 Ca 0.01 -0.23 0.03 0.00 0.11 0.00 0.00 57.88 57.79 2jrl h LEU 110 Cb 0.41 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 40.37 2jrl h LEU 110 CO 0.00 0.97 0.17 0.25 -4.11 0.00 0.00 178.44 175.72 2jrl h LEU 111 N 0.92 0.20 -0.03 0.17 5.85 -1.52 -1.67 115.31 119.23 2jrl h LEU 111 Ca 0.18 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 2jrl h LEU 111 Cb 0.45 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 2jrl h LEU 111 CO 0.02 0.14 0.00 0.74 -0.34 0.00 0.00 178.44 179.00 2jrl h THR 112 N 0.23 1.21 0.72 1.05 2.02 -1.14 -2.55 112.91 114.46 2jrl h THR 112 Ca 0.10 -0.63 -0.04 0.00 0.77 0.00 0.00 66.41 66.62 2jrl h THR 112 Cb 0.13 1.58 0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2jrl h THR 112 CO -0.02 0.17 -0.35 0.40 0.37 0.00 0.00 175.52 176.09 2jrl h ILE 113 N -0.20 0.18 -0.92 3.11 1.08 -1.41 0.31 117.51 119.65 2jrl h ILE 113 Ca 0.01 -0.20 0.26 0.00 -0.39 0.00 0.00 64.86 64.54 2jrl h ILE 113 Cb 0.27 0.22 -0.16 0.00 -3.07 0.00 0.00 36.82 34.07 2jrl h ILE 113 CO 0.00 0.02 0.13 0.50 -0.69 0.00 0.00 178.15 178.10 2jrl h LYS 114 N -1.13 0.08 0.00 2.37 3.64 -1.40 0.92 116.57 121.06 2jrl h LYS 114 Ca -0.10 -0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.11 2jrl h LYS 114 Cb 0.77 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 2jrl h LYS 114 CO 0.16 0.05 -0.79 0.45 -2.27 0.00 0.00 179.45 177.06 2jrl h HIS 115 N 0.08 0.00 -0.67 1.91 3.86 -1.35 -3.15 115.15 115.83 2jrl h HIS 115 Ca 0.58 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.89 2jrl h HIS 115 Cb 1.20 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.59 2jrl h HIS 115 CO -0.38 0.79 0.28 0.00 0.86 0.00 0.00 177.93 179.48 2jrl h ALA 116 N 1.21 0.90 0.19 2.45 0.00 0.48 0.30 119.26 124.79 2jrl h ALA 116 Ca -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2jrl h ALA 116 Cb 1.49 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2jrl h ALA 116 CO 0.10 -0.15 -0.09 0.74 0.00 0.00 0.00 179.25 179.85 2jrl h PHE 117 N 0.47 -0.24 -0.99 0.00 -1.00 -1.47 -2.68 116.94 111.03 2jrl h PHE 117 Ca 0.34 -0.01 0.35 0.00 2.81 0.00 0.00 57.97 61.47 2jrl h PHE 117 Cb 0.43 0.08 -0.17 0.00 3.61 0.00 0.00 35.95 39.89 2jrl h PHE 117 CO -0.15 -0.15 0.37 0.93 -1.61 0.00 0.00 178.31 177.70 2jrl h GLU 118 N -0.69 0.06 0.36 1.51 5.08 -1.51 0.24 114.58 119.63 2jrl h GLU 118 Ca -0.03 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2jrl h GLU 118 Cb 0.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2jrl h GLU 118 CO 0.04 0.04 -0.17 1.49 -1.00 0.00 0.00 179.01 179.41 2jrl h GLU 119 N 0.06 -0.46 -0.92 2.33 4.57 -1.02 -2.91 114.58 116.23 2jrl h GLU 119 Ca 0.74 0.03 0.22 0.00 -1.18 0.00 0.00 59.36 59.17 2jrl h GLU 119 Cb 1.79 0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 30.42 2jrl h GLU 119 CO -0.79 -0.19 0.61 -0.92 -1.18 0.00 0.00 179.01 176.55 2jrl h TYR 120 N -0.71 0.49 0.00 0.92 5.03 -0.23 -3.51 116.97 118.96 2jrl h TYR 120 Ca -0.05 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.28 2jrl h TYR 120 Cb 0.49 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.62 2jrl h TYR 120 CO 0.00 0.12 0.00 -1.13 -1.32 0.00 0.00 178.16 175.83