#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 2.85 -2.70 2.12 4.76 -1.26 -4.79 118.16 119.14 2jrl n LYS 2 Ca 0.00 -2.04 -0.40 0.00 -2.87 0.00 0.00 58.31 53.00 2jrl n LYS 2 Cb 0.00 -2.29 -0.05 0.00 -1.84 0.00 0.00 35.03 30.85 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 -0.01 4.77 -0.10 1.97 0.52 -1.26 -1.76 118.95 123.09 2jrl s ARG 3 Ca 0.63 1.52 -0.08 0.00 -0.52 0.00 0.00 55.73 57.28 2jrl s ARG 3 Cb 0.29 -3.30 0.03 0.00 0.52 0.00 0.00 34.95 32.49 2jrl s ARG 3 CO -0.10 0.36 0.25 0.08 0.02 0.00 0.00 175.30 175.92 2jrl s VAL 4 N -0.73 -0.01 -0.25 3.52 1.01 -0.87 -3.54 120.40 119.54 2jrl s VAL 4 Ca 0.44 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.45 2jrl s VAL 4 Cb -0.26 -0.36 0.05 0.00 0.00 0.00 0.00 36.38 35.80 2jrl s VAL 4 CO 0.32 0.01 -0.09 -0.22 0.00 0.00 0.00 175.10 175.12 2jrl s LEU 5 N 0.29 3.28 -0.41 3.92 2.96 -1.22 -2.02 118.68 125.48 2jrl s LEU 5 Ca -0.01 -1.16 -0.18 0.00 -0.22 0.00 0.00 54.13 52.55 2jrl s LEU 5 Cb -0.03 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 45.09 2jrl s LEU 5 CO -0.01 -0.16 0.50 -0.69 -1.32 0.00 0.00 176.35 174.67 2jrl s VAL 6 N 1.20 5.01 -0.38 1.68 1.01 0.56 -0.02 120.40 129.46 2jrl s VAL 6 Ca -0.04 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.66 2jrl s VAL 6 Cb -0.18 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.14 2jrl s VAL 6 CO -0.05 -0.43 0.36 -0.69 0.00 0.00 0.00 175.10 174.29 2jrl s VAL 7 N 2.34 5.17 -0.29 2.92 1.01 0.20 -2.51 120.40 129.24 2jrl s VAL 7 Ca 0.16 -0.22 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 2jrl s VAL 7 Cb -0.16 -3.90 0.11 0.00 0.00 0.00 0.00 36.38 32.43 2jrl s VAL 7 CO 0.15 -0.22 0.70 -0.62 0.00 0.00 0.00 175.10 175.11 2jrl s ASP 8 N 1.75 -1.00 0.00 3.32 -1.08 -0.46 -2.83 116.67 116.37 2jrl s ASP 8 Ca 0.10 1.47 0.06 0.00 -0.52 0.00 0.00 52.55 53.66 2jrl s ASP 8 Cb -0.17 1.80 0.34 0.00 -1.46 0.00 0.00 42.92 43.43 2jrl s ASP 8 CO 0.12 -0.22 0.74 -0.90 0.52 0.00 0.00 175.17 175.43 2jrl n ASP 9 N 4.81 0.00 -4.16 -0.34 5.75 -1.26 -4.18 116.55 117.17 2jrl n ASP 9 Ca -0.16 -0.51 -0.39 0.00 -0.01 0.00 0.00 54.79 53.72 2jrl n ASP 9 Cb 0.54 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.56 2jrl n ASP 9 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2jrl s GLU 10 N -2.00 2.98 0.66 0.11 2.56 -1.26 -4.90 118.70 116.84 2jrl s GLU 10 Ca 0.09 -2.66 0.36 0.00 0.00 0.00 0.00 54.97 52.76 2jrl s GLU 10 Cb 0.04 -3.96 2.00 0.00 2.00 0.00 0.00 34.13 34.21 2jrl s GLU 10 CO 0.07 -1.22 2.15 0.93 -0.56 0.00 0.00 175.26 176.63 2jrl h GLU 11 N 7.03 0.00 -0.47 4.30 3.07 -1.99 -0.66 114.58 125.86 2jrl h GLU 11 Ca 0.05 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.80 2jrl h GLU 11 Cb 0.95 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.85 2jrl h GLU 11 CO 0.75 0.00 -0.14 0.77 -1.40 0.00 0.00 179.01 178.99 2jrl h SER 12 N 0.00 0.94 0.12 1.42 0.02 -1.94 -2.03 113.55 112.09 2jrl h SER 12 Ca 0.01 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.59 2jrl h SER 12 Cb 0.35 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2jrl h SER 12 CO -0.00 1.10 -0.06 0.40 -1.14 0.00 0.00 176.83 177.13 2jrl h ILE 13 N 0.77 0.45 -1.05 3.27 1.08 -1.54 -3.28 117.51 117.22 2jrl h ILE 13 Ca 0.12 -1.14 0.28 0.00 -0.39 0.00 0.00 64.86 63.73 2jrl h ILE 13 Cb 0.70 0.81 -0.08 0.00 -3.07 0.00 0.00 36.82 35.18 2jrl h ILE 13 CO 0.05 0.14 0.70 0.71 -0.69 0.00 0.00 178.15 179.06 2jrl h THR 14 N -1.00 0.51 -0.88 -0.27 1.35 -1.56 0.34 112.91 111.40 2jrl h THR 14 Ca -0.02 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2jrl h THR 14 Cb 0.35 0.19 -0.04 0.00 -1.73 0.00 0.00 68.15 66.92 2jrl h THR 14 CO 0.03 0.05 0.57 -1.28 -0.25 0.00 0.00 175.52 174.64 2jrl h SER 15 N 0.30 1.03 0.05 5.36 0.87 -1.44 0.15 113.55 119.86 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 1.64 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 2jrl h SER 15 CO -0.22 0.77 -0.02 -1.28 -0.53 0.00 0.00 176.83 175.54 2jrl h SER 16 N 1.21 -0.05 -0.12 6.23 0.87 -0.45 -3.09 113.55 118.15 2jrl h SER 16 Ca 0.32 -0.50 0.03 0.00 -1.23 0.00 0.00 61.79 60.42 2jrl h SER 16 Cb -0.11 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2jrl h SER 16 CO -0.07 0.66 0.17 -0.07 -0.53 0.00 0.00 176.83 176.99 2jrl h LEU 17 N -0.96 0.00 -0.27 2.23 4.07 -1.18 0.11 115.31 119.31 2jrl h LEU 17 Ca -0.01 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.79 2jrl h LEU 17 Cb 0.55 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.26 2jrl h LEU 17 CO 0.01 0.00 -0.78 0.77 -1.08 0.00 0.00 178.44 177.36 2jrl h SER 18 N 0.00 0.00 -0.36 -0.43 4.64 -0.75 -2.45 113.55 114.19 2jrl h SER 18 Ca 0.06 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.27 2jrl h SER 18 Cb 0.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 2jrl h SER 18 CO -0.00 0.78 -0.20 0.00 -0.87 0.00 0.00 176.83 176.54 2jrl h ALA 19 N 1.22 0.51 -0.03 5.18 0.00 -0.69 -1.40 119.26 124.05 2jrl h ALA 19 Ca -0.01 -0.37 -0.20 0.00 0.00 0.00 0.00 54.91 54.34 2jrl h ALA 19 Cb 1.47 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 2jrl h ALA 19 CO 0.10 0.46 -0.83 0.82 0.00 0.00 0.00 179.25 179.81 2jrl h ILE 20 N 0.56 1.42 -0.17 0.00 1.08 -1.57 -2.48 117.51 116.35 2jrl h ILE 20 Ca 0.08 -2.35 -0.03 0.00 -0.39 0.00 0.00 64.86 62.16 2jrl h ILE 20 Cb 0.75 2.30 -0.01 0.00 -3.07 0.00 0.00 36.82 36.79 2jrl h ILE 20 CO 0.06 0.70 -0.02 0.25 -0.69 0.00 0.00 178.15 178.44 2jrl h LEU 21 N 0.21 0.32 -1.46 1.44 5.85 -1.40 -2.83 115.31 117.44 2jrl h LEU 21 Ca -0.05 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.29 2jrl h LEU 21 Cb 1.43 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.37 2jrl h LEU 21 CO 0.14 0.59 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.59 2jrl h GLU 22 N 0.04 0.00 -0.37 1.25 4.22 -1.31 -1.51 114.58 116.90 2jrl h GLU 22 Ca 0.04 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.36 2jrl h GLU 22 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2jrl h GLU 22 CO 0.01 0.15 -0.26 1.49 -2.18 0.00 0.00 179.01 178.22 2jrl h GLU 23 N 0.00 0.77 -0.00 1.92 4.81 -1.21 -2.37 114.58 118.50 2jrl h GLU 23 Ca -0.00 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2jrl h GLU 23 Cb 0.57 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2jrl h GLU 23 CO 0.02 0.95 0.00 0.39 -0.73 0.00 0.00 179.01 179.64 2jrl n GLU 24 N -4.09 1.01 -0.05 1.92 -0.58 -1.07 -4.83 120.64 112.93 2jrl n GLU 24 Ca -0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 2jrl n GLU 24 Cb 0.46 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 2jrl n GLU 24 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jrl n GLY 25 N 0.77 0.77 3.69 0.62 0.00 -0.89 -5.06 105.19 105.09 2jrl n GLY 25 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2jrl n GLY 25 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jrl s TYR 26 N -2.32 2.05 -0.59 1.61 2.02 -0.59 -4.84 117.35 114.69 2jrl s TYR 26 Ca 0.00 0.90 0.03 0.00 -0.37 0.00 0.00 57.07 57.63 2jrl s TYR 26 Cb 0.00 -3.32 0.15 0.00 -0.40 0.00 0.00 41.96 38.39 2jrl s TYR 26 CO 0.00 -2.90 0.35 -1.01 -1.57 0.00 0.00 175.55 170.42 2jrl s HIS 27 N -3.04 3.32 0.41 2.71 3.76 -0.72 -3.84 115.29 117.89 2jrl s HIS 27 Ca 0.66 -3.13 -0.25 0.00 -0.15 0.00 0.00 55.06 52.19 2jrl s HIS 27 Cb -0.17 -2.88 -0.08 0.00 1.11 0.00 0.00 32.58 30.56 2jrl s HIS 27 CO 0.57 -0.72 1.18 -1.25 -0.85 0.00 0.00 174.74 173.67 2jrl s PRO 28 N -0.52 3.97 0.13 8.40 0.04 -1.25 -2.04 135.00 143.73 2jrl s PRO 28 Ca 0.19 1.86 0.03 0.00 0.04 0.00 0.00 61.00 63.12 2jrl s PRO 28 Cb -0.20 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 2jrl s PRO 28 CO -0.04 -0.39 -0.08 -0.51 0.04 0.00 0.00 177.00 176.02 2jrl s ASP 29 N -1.14 1.50 0.05 6.66 1.01 -0.85 -4.93 116.67 118.95 2jrl s ASP 29 Ca 0.59 -1.03 0.07 0.00 0.71 0.00 0.00 52.55 52.88 2jrl s ASP 29 Cb -0.31 0.04 -0.02 0.00 1.01 0.00 0.00 42.92 43.64 2jrl s ASP 29 CO 0.39 -0.41 -0.19 0.42 0.21 0.00 0.00 175.17 175.60 2jrl s THR 30 N -3.47 1.50 -0.19 -1.27 -4.23 -1.24 -0.33 115.64 106.42 2jrl s THR 30 Ca 0.16 -1.15 -0.07 0.00 -1.18 0.00 0.00 61.69 59.44 2jrl s THR 30 Cb 0.04 -1.32 0.08 0.00 1.34 0.00 0.00 72.50 72.65 2jrl s THR 30 CO -0.01 0.13 0.40 0.00 -0.54 0.00 0.00 174.62 174.60 2jrl s ALA 31 N -0.83 -1.07 -0.93 3.99 0.00 -1.05 -4.94 121.76 116.94 2jrl s ALA 31 Ca 0.06 1.44 0.25 0.00 0.00 0.00 0.00 51.96 53.71 2jrl s ALA 31 Cb -0.09 -1.23 0.51 0.00 0.00 0.00 0.00 23.12 22.32 2jrl s ALA 31 CO 0.02 -0.67 1.42 0.36 0.00 0.00 0.00 175.76 176.89 2jrl n LYS 32 N 5.21 0.06 -3.89 0.00 0.00 -1.26 -1.35 118.16 116.93 2jrl n LYS 32 Ca -0.11 0.02 -0.13 0.00 -0.00 0.00 0.00 58.31 58.09 2jrl n LYS 32 Cb 0.50 -1.54 -0.14 0.00 -0.00 0.00 0.00 35.03 33.86 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 -3.04 0.03 0.02 0.58 -4.23 -1.26 -4.63 115.64 103.12 2jrl s THR 33 Ca 0.10 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.35 2jrl s THR 33 Cb 0.17 -0.05 -0.17 0.00 1.34 0.00 0.00 72.50 73.79 2jrl s THR 33 CO 0.69 0.02 1.33 -0.07 -0.54 0.00 0.00 174.62 176.06 2jrl h LEU 34 N 6.25 -0.38 -1.00 4.79 -0.00 -1.94 -2.89 115.31 120.14 2jrl h LEU 34 Ca -0.26 -0.14 0.38 0.00 -0.00 0.00 0.00 57.88 57.86 2jrl h LEU 34 Cb 1.20 0.10 -0.18 0.00 -0.00 0.00 0.00 40.66 41.78 2jrl h LEU 34 CO 0.51 -0.06 0.44 0.08 -0.00 0.00 0.00 178.44 179.40 2jrl h ARG 35 N -0.71 0.03 -0.46 1.13 -0.00 -1.99 1.41 114.38 113.79 2jrl h ARG 35 Ca -0.05 -0.00 -0.13 0.00 -0.00 0.00 0.00 59.98 59.81 2jrl h ARG 35 Cb 0.49 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 30.44 2jrl h ARG 35 CO 0.07 0.02 -0.21 1.49 -0.00 0.00 0.00 179.97 181.34 2jrl h GLU 36 N 0.03 0.93 0.00 0.08 4.57 -1.97 -2.51 114.58 115.71 2jrl h GLU 36 Ca 0.79 -0.39 -0.02 0.00 -1.18 0.00 0.00 59.36 58.56 2jrl h GLU 36 Cb 1.98 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 30.53 2jrl h GLU 36 CO -0.78 1.04 -0.11 0.00 -1.18 0.00 0.00 179.01 177.98 2jrl h ALA 37 N 0.95 1.01 0.09 2.92 0.00 0.20 -3.07 119.26 121.35 2jrl h ALA 37 Ca 0.11 -0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.63 2jrl h ALA 37 Cb 0.77 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.57 2jrl h ALA 37 CO 0.06 0.14 -1.17 0.93 0.00 0.00 0.00 179.25 179.21 2jrl h GLU 38 N 0.00 0.63 0.06 0.00 5.08 -0.43 -1.37 114.58 118.54 2jrl h GLU 38 Ca -0.00 -0.80 -0.00 0.00 -1.00 0.00 0.00 59.36 57.55 2jrl h GLU 38 Cb 0.67 0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2jrl h GLU 38 CO 0.01 1.36 -0.03 0.87 -1.00 0.00 0.00 179.01 180.23 2jrl h LYS 39 N 0.28 -0.08 -0.16 2.33 1.79 -1.37 -2.16 116.57 117.20 2jrl h LYS 39 Ca -0.17 0.01 -0.16 0.00 -2.18 0.00 0.00 60.65 58.14 2jrl h LYS 39 Cb 1.85 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.51 2jrl h LYS 39 CO 0.23 -0.05 -0.56 1.57 -1.08 0.00 0.00 179.45 179.55 2jrl h LYS 40 N -0.08 0.49 -0.63 3.15 2.10 -1.65 -2.47 116.57 117.48 2jrl h LYS 40 Ca -0.01 -0.32 0.09 0.00 -2.00 0.00 0.00 60.65 58.41 2jrl h LYS 40 Cb 0.06 0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 31.39 2jrl h LYS 40 CO 0.01 0.92 0.42 0.82 -2.00 0.00 0.00 179.45 179.62 2jrl h ILE 41 N 0.38 0.93 -0.02 0.07 2.04 -1.02 0.14 117.51 120.04 2jrl h ILE 41 Ca 0.00 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2jrl h ILE 41 Cb 1.10 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2jrl h ILE 41 CO 0.10 0.09 -0.15 0.29 0.00 0.00 0.00 178.15 178.48 2jrl n LYS 42 N -4.48 1.62 -0.05 2.37 5.02 -0.83 -3.89 118.16 117.91 2jrl n LYS 42 Ca 0.10 -1.18 0.07 0.00 -2.02 0.00 0.00 58.31 55.28 2jrl n LYS 42 Cb 0.33 -1.48 0.09 0.00 -0.02 0.00 0.00 35.03 33.96 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 0.34 1.47 -3.83 1.97 0.28 0.33 -5.01 120.64 116.19 2jrl n GLU 43 Ca 0.14 -1.58 -0.08 0.00 -0.16 0.00 0.00 57.16 55.48 2jrl n GLU 43 Cb 0.46 -1.30 -0.03 0.00 1.43 0.00 0.00 31.44 31.99 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 -1.19 -0.07 -0.26 -1.84 0.05 -0.22 -5.02 118.68 110.13 2jrl s LEU 44 Ca 0.20 -0.60 -0.14 0.00 0.05 0.00 0.00 54.13 53.64 2jrl s LEU 44 Cb 0.13 2.36 -0.04 0.00 -2.05 0.00 0.00 46.19 46.60 2jrl s LEU 44 CO 0.19 -1.20 0.34 0.12 -0.55 0.00 0.00 176.35 175.26 2jrl s PHE 45 N -3.92 3.27 -0.17 3.48 2.19 -1.26 -4.75 117.98 116.82 2jrl s PHE 45 Ca 0.12 0.40 0.00 0.00 0.33 0.00 0.00 56.93 57.78 2jrl s PHE 45 Cb -0.03 -2.53 0.03 0.00 -1.31 0.00 0.00 43.02 39.19 2jrl s PHE 45 CO 0.03 -0.17 -0.10 -0.06 1.83 0.00 0.00 175.22 176.75 2jrl s PHE 46 N 1.86 2.16 -0.02 10.12 0.08 -1.26 -4.98 117.98 125.94 2jrl s PHE 46 Ca 0.14 -1.33 -0.23 0.00 0.12 0.00 0.00 56.93 55.63 2jrl s PHE 46 Cb -0.15 -1.54 -0.16 0.00 -0.57 0.00 0.00 43.02 40.59 2jrl s PHE 46 CO 0.09 -0.68 1.05 -1.00 -0.10 0.00 0.00 175.22 174.58 2jrl h PRO 47 N 8.04 -0.33 -4.57 0.24 0.13 -1.87 -3.45 132.00 130.19 2jrl h PRO 47 Ca -0.31 0.02 -0.44 0.00 -0.87 0.00 0.00 66.00 64.41 2jrl h PRO 47 Cb 1.11 0.07 -0.31 0.00 0.13 0.00 0.00 31.00 32.01 2jrl h PRO 47 CO 0.48 0.04 -0.79 0.14 -0.23 0.00 0.00 178.00 177.63 2jrl s VAL 48 N -4.05 0.81 0.03 1.56 -7.23 -1.23 -2.74 120.40 107.55 2jrl s VAL 48 Ca -0.13 -0.36 0.04 0.00 -1.81 0.00 0.00 61.98 59.71 2jrl s VAL 48 Cb 0.01 -0.73 -0.02 0.00 0.56 0.00 0.00 36.38 36.21 2jrl s VAL 48 CO 0.50 0.26 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.80 2jrl s ILE 49 N 0.27 0.90 -0.19 -0.62 1.01 -0.68 -3.39 121.20 118.50 2jrl s ILE 49 Ca -0.05 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 2jrl s ILE 49 Cb -0.10 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.53 2jrl s ILE 49 CO 0.01 -0.04 -0.08 -0.69 0.00 0.00 0.00 174.94 174.13 2jrl s VAL 50 N -0.83 3.16 -0.15 2.92 1.01 0.97 -0.33 120.40 127.15 2jrl s VAL 50 Ca -0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 2jrl s VAL 50 Cb -0.07 -2.40 0.05 0.00 0.00 0.00 0.00 36.38 33.96 2jrl s VAL 50 CO 0.01 0.47 0.02 -0.22 0.00 0.00 0.00 175.10 175.38 2jrl s LEU 51 N 1.11 0.95 0.95 3.92 0.20 -0.23 0.59 118.68 126.17 2jrl s LEU 51 Ca 0.01 -0.56 -0.12 0.00 0.69 0.00 0.00 54.13 54.14 2jrl s LEU 51 Cb -0.15 -0.54 0.16 0.00 -0.43 0.00 0.00 46.19 45.24 2jrl s LEU 51 CO -0.02 -0.27 1.11 1.51 -0.29 0.00 0.00 176.35 178.40 2jrl s ASP 52 N 1.90 3.08 -0.11 3.68 1.47 -1.13 -3.48 116.67 122.08 2jrl s ASP 52 Ca 0.01 1.10 -0.25 0.00 1.18 0.00 0.00 52.55 54.59 2jrl s ASP 52 Cb -0.15 -1.73 -0.28 0.00 -0.34 0.00 0.00 42.92 40.42 2jrl s ASP 52 CO -0.07 -2.84 0.78 0.58 0.68 0.00 0.00 175.17 174.30 2jrl h VAL 53 N -1.69 1.61 -0.09 2.11 2.07 -0.58 -3.33 116.25 116.35 2jrl h VAL 53 Ca -0.52 -2.42 -0.03 0.00 0.82 0.00 0.00 66.70 64.54 2jrl h VAL 53 Cb 1.33 3.23 0.00 0.00 -1.52 0.00 0.00 31.29 34.33 2jrl h VAL 53 CO 0.59 0.64 0.09 1.87 0.02 0.00 0.00 177.57 180.78 2jrl n TRP 54 N -4.38 0.92 -4.64 1.57 -0.00 -1.26 -3.41 117.44 106.24 2jrl n TRP 54 Ca -0.13 -0.21 -0.31 0.00 -0.00 0.00 0.00 57.50 56.84 2jrl n TRP 54 Cb 0.65 -2.55 -0.12 0.00 -0.00 0.00 0.00 31.31 29.28 2jrl n TRP 54 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 177.69 176.05 2jrl s MET 55 N 8.45 2.16 -0.02 5.87 -1.94 -1.26 -4.60 119.30 127.96 2jrl s MET 55 Ca 0.81 -0.93 -0.26 0.00 -1.71 0.00 0.00 55.69 53.60 2jrl s MET 55 Cb -0.04 -2.24 -0.20 0.00 2.01 0.00 0.00 34.83 34.36 2jrl s MET 55 CO 0.19 0.55 1.25 -1.00 -0.01 0.00 0.00 175.02 176.00 2jrl h PRO 56 N 4.57 -0.03 -0.05 2.03 0.13 -1.89 -3.32 132.00 133.45 2jrl h PRO 56 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2jrl h PRO 56 Cb 1.16 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 2jrl h PRO 56 CO 0.49 0.45 0.01 0.22 -0.23 0.00 0.00 178.00 178.94 2jrl h ASP 57 N -0.52 0.07 -3.89 1.44 3.58 -1.97 -3.48 116.42 111.66 2jrl h ASP 57 Ca -0.00 -0.22 0.24 0.00 0.42 0.00 0.00 57.03 57.47 2jrl h ASP 57 Cb 0.49 -0.02 -0.22 0.00 1.72 0.00 0.00 39.33 41.30 2jrl h ASP 57 CO 0.00 0.28 0.84 -0.83 -2.88 0.00 0.00 179.24 176.65 2jrl s GLY 58 N -2.69 -0.17 0.97 -0.78 0.00 -1.25 -5.10 107.32 98.30 2jrl s GLY 58 Ca -0.14 2.02 -0.15 0.00 0.00 0.00 0.00 44.72 46.45 2jrl s GLY 58 CO 0.68 0.76 -0.24 1.22 0.00 0.00 0.00 173.10 175.52 2jrl n ASP 59 N 0.17 -4.18 0.02 1.64 8.00 -1.26 -4.38 116.55 116.56 2jrl n ASP 59 Ca -0.00 0.25 -0.17 0.00 0.71 0.00 0.00 54.79 55.59 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 -1.25 0.22 -0.01 0.44 0.00 -1.66 -3.27 103.07 97.53 2jrl h GLY 60 Ca -0.44 -0.56 0.21 0.00 0.00 0.00 0.00 47.33 46.54 2jrl h GLY 60 CO 0.28 0.49 0.57 -0.24 0.00 0.00 0.00 176.54 177.65 2jrl h VAL 61 N 0.05 0.61 0.00 4.60 3.04 -1.90 0.28 116.25 122.94 2jrl h VAL 61 Ca -0.33 -0.22 -0.14 0.00 -1.01 0.00 0.00 66.70 65.00 2jrl h VAL 61 Cb 2.03 -0.09 -0.02 0.00 -2.01 0.00 0.00 31.29 31.20 2jrl h VAL 61 CO 0.11 0.12 -0.67 -1.13 -1.01 0.00 0.00 177.57 174.99 2jrl h ASN 62 N 0.64 0.00 -0.52 3.17 -0.00 -1.95 -3.24 115.58 113.68 2jrl h ASN 62 Ca 0.60 0.00 0.06 0.00 -0.00 0.00 0.00 56.30 56.95 2jrl h ASN 62 Cb 1.03 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 39.32 2jrl h ASN 62 CO -0.43 0.67 0.35 0.15 -0.00 0.00 0.00 177.43 178.16 2jrl h PHE 63 N 0.00 0.48 -0.70 0.67 3.57 -0.49 -2.10 116.94 118.36 2jrl h PHE 63 Ca -0.01 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.63 2jrl h PHE 63 Cb 1.48 -0.16 -0.09 0.00 2.79 0.00 0.00 35.95 39.97 2jrl h PHE 63 CO 0.00 0.26 0.25 0.82 -2.23 0.00 0.00 178.31 177.41 2jrl h ILE 64 N 0.48 0.67 -0.92 1.41 2.04 -1.51 -1.72 117.51 117.96 2jrl h ILE 64 Ca 0.22 -0.14 0.21 0.00 1.00 0.00 0.00 64.86 66.16 2jrl h ILE 64 Cb 0.27 0.23 -0.17 0.00 -0.74 0.00 0.00 36.82 36.41 2jrl h ILE 64 CO -0.06 0.07 -0.14 -0.67 0.00 0.00 0.00 178.15 177.35 2jrl n ASP 65 N -5.03 -0.25 -0.12 1.72 2.03 -0.79 0.95 116.55 115.06 2jrl n ASP 65 Ca 0.12 1.58 -0.09 0.00 0.52 0.00 0.00 54.79 56.93 2jrl n ASP 65 Cb 0.38 -0.51 -0.01 0.00 -0.72 0.00 0.00 41.12 40.25 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 0.54 0.40 -0.67 3.57 -1.48 -2.29 116.94 117.02 2jrl h PHE 66 Ca 0.49 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.93 2jrl h PHE 66 Cb 0.85 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.43 2jrl h PHE 66 CO -0.63 0.48 -0.20 0.82 -2.23 0.00 0.00 178.31 176.56 2jrl h ILE 67 N 0.44 0.60 0.00 1.41 2.04 0.63 -1.18 117.51 121.44 2jrl h ILE 67 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.98 2jrl h ILE 67 Cb 0.16 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2jrl h ILE 67 CO -0.01 0.00 0.01 0.29 0.00 0.00 0.00 178.15 178.44 2jrl n LYS 68 N -5.33 0.09 0.02 2.37 4.76 0.66 0.16 118.16 120.89 2jrl n LYS 68 Ca -0.11 0.58 -0.22 0.00 -2.87 0.00 0.00 58.31 55.70 2jrl n LYS 68 Cb 0.23 -1.80 -0.14 0.00 -1.84 0.00 0.00 35.03 31.48 2jrl n LYS 68 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2jrl h GLU 69 N 0.00 0.29 -0.17 1.97 4.81 -0.66 -3.34 114.58 117.48 2jrl h GLU 69 Ca 0.00 -0.49 -0.06 0.00 -0.13 0.00 0.00 59.36 58.67 2jrl h GLU 69 Cb 0.02 0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 2jrl h GLU 69 CO 0.00 1.24 -0.16 0.27 -0.73 0.00 0.00 179.01 179.63 2jrl n ASN 70 N -3.58 2.50 0.00 1.04 0.23 -0.52 -4.79 115.26 110.15 2jrl n ASN 70 Ca -0.30 -3.53 0.00 0.00 -0.53 0.00 0.00 54.58 50.22 2jrl n ASN 70 Cb 1.03 -0.55 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 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 -1.08 0.00 -0.11 0.53 2.88 0.42 -4.99 113.62 111.27 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 0.84 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.27 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 0.85 0.00 -1.46 0.13 -1.68 -2.84 132.00 126.99 2jrl h PRO 72 Ca 0.00 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2jrl h PRO 72 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2jrl h PRO 72 CO 0.00 1.09 0.00 -0.25 -0.23 0.00 0.00 178.00 178.61 2jrl n ASP 73 N -4.14 0.00 -4.82 1.44 8.00 -1.26 -4.80 116.55 110.97 2jrl n ASP 73 Ca -0.03 0.26 -0.33 0.00 0.71 0.00 0.00 54.79 55.40 2jrl n ASP 73 Cb 0.51 -0.40 -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 -0.44 -0.39 0.00 0.00 177.20 176.37 2jrl s SER 74 N -2.80 6.28 -0.10 -2.24 0.01 -1.07 -4.93 113.70 108.85 2jrl s SER 74 Ca 0.15 1.74 0.02 0.00 1.31 0.00 0.00 55.95 59.17 2jrl s SER 74 Cb 0.14 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.85 2jrl s SER 74 CO 0.36 -0.82 -0.15 0.68 0.41 0.00 0.00 173.24 173.72 2jrl s VAL 75 N -2.40 1.43 0.07 3.43 -7.23 -1.11 -4.99 120.40 109.60 2jrl s VAL 75 Ca 0.62 -0.61 0.10 0.00 -1.81 0.00 0.00 61.98 60.28 2jrl s VAL 75 Cb -0.13 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.47 2jrl s VAL 75 CO 0.30 0.43 -0.26 -0.69 -0.31 0.00 0.00 175.10 174.56 2jrl s VAL 76 N 0.91 2.13 -0.20 1.32 1.01 -1.16 -1.69 120.40 122.72 2jrl s VAL 76 Ca -0.09 -1.49 -0.06 0.00 0.00 0.00 0.00 61.98 60.34 2jrl s VAL 76 Cb -0.15 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 2jrl s VAL 76 CO 0.00 0.26 0.03 -0.63 0.00 0.00 0.00 175.10 174.76 2jrl s ILE 77 N -0.89 4.26 -0.23 2.22 1.09 0.55 -1.37 121.20 126.82 2jrl s ILE 77 Ca 0.12 -0.21 -0.11 0.00 -1.10 0.00 0.00 60.65 59.35 2jrl s ILE 77 Cb -0.10 -2.93 -0.05 0.00 -1.06 0.00 0.00 42.46 38.32 2jrl s ILE 77 CO 0.03 0.43 0.18 -0.69 -0.10 0.00 0.00 174.94 174.79 2jrl s VAL 78 N 0.87 5.35 0.01 2.92 1.01 -1.16 -1.06 120.40 128.33 2jrl s VAL 78 Ca 0.02 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.26 2jrl s VAL 78 Cb -0.14 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 2jrl s VAL 78 CO 0.02 0.34 -0.11 0.27 0.00 0.00 0.00 175.10 175.63 2jrl s ILE 79 N 1.05 0.83 -0.12 2.22 -4.36 -1.23 -3.18 121.20 116.40 2jrl s ILE 79 Ca 0.09 -0.64 -0.16 0.00 -0.26 0.00 0.00 60.65 59.68 2jrl s ILE 79 Cb -0.13 -0.73 0.04 0.00 1.25 0.00 0.00 42.46 42.89 2jrl s ILE 79 CO 0.05 0.09 0.42 0.28 0.24 0.00 0.00 174.94 176.02 2jrl s THR 80 N -0.51 0.01 -0.18 8.37 -1.32 -1.14 0.24 115.64 121.11 2jrl s THR 80 Ca 0.02 -0.09 0.18 0.00 -1.21 0.00 0.00 61.69 60.58 2jrl s THR 80 Cb -0.05 -0.62 -0.00 0.00 -1.51 0.00 0.00 72.50 70.31 2jrl s THR 80 CO 0.00 -0.05 1.15 1.23 -2.21 0.00 0.00 174.62 174.74 2jrl h GLY 81 N 5.02 0.00 1.97 6.08 0.00 -1.89 -2.62 103.07 111.63 2jrl h GLY 81 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2jrl h GLY 81 CO 0.28 0.00 0.01 0.45 0.00 0.00 0.00 176.54 177.28 2jrl h HIS 82 N 0.00 0.00 -3.06 5.60 3.86 -1.99 -3.43 115.15 116.13 2jrl h HIS 82 Ca -0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 2jrl h HIS 82 Cb 1.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.84 2jrl h HIS 82 CO 0.00 0.00 -0.73 0.41 0.86 0.00 0.00 177.93 178.47 2jrl n GLY 83 N -1.52 -4.54 3.15 2.45 0.00 -1.25 -5.08 105.19 98.40 2jrl n GLY 83 Ca -0.03 -0.63 0.06 0.00 0.00 0.00 0.00 46.02 45.42 2jrl n GLY 83 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jrl s SER 84 N -2.18 -0.02 0.20 1.61 0.15 -1.26 -5.04 113.70 107.16 2jrl s SER 84 Ca 0.00 0.01 -0.11 0.00 0.70 0.00 0.00 55.95 56.55 2jrl s SER 84 Cb 0.00 1.01 0.13 0.00 -1.71 0.00 0.00 66.02 65.46 2jrl s SER 84 CO 0.00 -0.00 1.87 1.62 1.20 0.00 0.00 173.24 177.93 2jrl h VAL 85 N 5.01 1.18 0.72 4.45 3.04 -1.98 0.93 116.25 129.60 2jrl h VAL 85 Ca -0.09 -0.33 -0.03 0.00 -1.01 0.00 0.00 66.70 65.23 2jrl h VAL 85 Cb 1.18 0.15 -0.00 0.00 -2.01 0.00 0.00 31.29 30.61 2jrl h VAL 85 CO -0.26 0.17 -0.41 0.44 -1.01 0.00 0.00 177.57 176.51 2jrl h ASP 86 N 0.95 -1.00 0.09 3.17 3.32 -2.00 -1.39 116.42 119.55 2jrl h ASP 86 Ca 0.26 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 2jrl h ASP 86 Cb -0.11 0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 2jrl h ASP 86 CO -0.05 -0.65 -0.07 0.74 -1.72 0.00 0.00 179.24 177.49 2jrl h THR 87 N -1.05 0.88 0.04 0.35 2.02 -1.94 -2.67 112.91 110.54 2jrl h THR 87 Ca -0.09 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 2jrl h THR 87 Cb 0.83 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2jrl h THR 87 CO 0.12 0.06 -0.02 0.00 0.37 0.00 0.00 175.52 176.05 2jrl h ALA 88 N 1.93 -0.05 0.40 6.16 0.00 -0.36 -2.12 119.26 125.22 2jrl h ALA 88 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2jrl h ALA 88 Cb 0.13 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2jrl h ALA 88 CO 0.01 -0.40 -0.42 0.28 0.00 0.00 0.00 179.25 178.73 2jrl h VAL 89 N -0.32 0.16 -0.38 0.00 2.07 -0.93 -1.05 116.25 115.82 2jrl h VAL 89 Ca -0.01 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.62 2jrl h VAL 89 Cb 0.29 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 2jrl h VAL 89 CO 0.01 0.00 0.36 0.07 0.02 0.00 0.00 177.57 178.03 2jrl h LYS 90 N -0.84 0.00 0.00 1.57 2.10 -1.57 0.67 116.57 118.50 2jrl h LYS 90 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 2jrl h LYS 90 Cb 0.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 2jrl h LYS 90 CO -0.07 0.00 -0.10 0.00 -2.00 0.00 0.00 179.45 177.28 2jrl n ALA 91 N -2.41 2.43 0.01 0.07 0.00 -0.50 -2.91 120.51 117.20 2jrl n ALA 91 Ca 0.06 -0.09 -0.20 0.00 0.00 0.00 0.00 53.44 53.22 2jrl n ALA 91 Cb 0.53 -1.42 -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 0.82 0.00 0.00 0.00 177.50 178.32 2jrl h ILE 92 N 0.00 0.69 0.00 0.00 1.08 0.14 -2.46 117.51 116.96 2jrl h ILE 92 Ca 0.00 -2.42 0.00 0.00 -0.39 0.00 0.00 64.86 62.05 2jrl h ILE 92 Cb 0.66 2.53 0.00 0.00 -3.07 0.00 0.00 36.82 36.94 2jrl h ILE 92 CO 0.00 0.85 0.00 0.11 -0.69 0.00 0.00 178.15 178.42 2jrl h LYS 93 N 0.07 0.00 0.17 2.37 1.57 -1.49 -3.30 116.57 115.96 2jrl h LYS 93 Ca -0.39 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.38 2jrl h LYS 93 Cb 2.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.35 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 -0.22 0.00 3.15 1.63 -1.66 -3.47 116.57 116.00 2jrl h LYS 94 Ca 0.00 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2jrl h LYS 94 Cb 0.69 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.36 2jrl h LYS 94 CO 0.00 -0.15 -0.01 0.41 -3.45 0.00 0.00 179.45 176.26 2jrl n GLY 95 N 1.02 0.07 3.56 5.01 0.00 -1.25 -4.89 105.19 108.72 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 3.50 0.09 4.61 0.00 -0.92 -2.96 121.76 126.07 2jrl s ALA 96 Ca 0.00 -1.21 -0.18 0.00 0.00 0.00 0.00 51.96 50.57 2jrl s ALA 96 Cb 0.00 -2.53 -0.07 0.00 0.00 0.00 0.00 23.12 20.51 2jrl s ALA 96 CO 0.00 -0.72 1.52 -0.92 0.00 0.00 0.00 175.76 175.63 2jrl h TYR 97 N 8.41 0.55 -4.12 0.00 3.20 -1.52 -3.40 116.97 120.09 2jrl h TYR 97 Ca -0.34 -0.10 -0.15 0.00 3.14 0.00 0.00 58.73 61.28 2jrl h TYR 97 Cb 1.18 -0.14 -0.15 0.00 1.54 0.00 0.00 36.73 39.15 2jrl h TYR 97 CO 0.72 0.67 -0.69 -2.00 -1.64 0.00 0.00 178.16 175.22 2jrl s GLU 98 N -4.92 0.66 -0.20 1.82 2.56 -1.26 -5.08 118.70 112.28 2jrl s GLU 98 Ca -0.13 -1.22 0.01 0.00 0.00 0.00 0.00 54.97 53.62 2jrl s GLU 98 Cb 0.08 0.09 0.04 0.00 2.00 0.00 0.00 34.13 36.34 2jrl s GLU 98 CO 0.76 -0.08 -0.10 0.12 -0.56 0.00 0.00 175.26 175.40 2jrl s PHE 99 N -3.72 2.38 -0.05 5.30 2.19 -1.26 -3.00 117.98 119.82 2jrl s PHE 99 Ca 0.07 -1.57 0.04 0.00 0.33 0.00 0.00 56.93 55.80 2jrl s PHE 99 Cb 0.06 -1.62 -0.00 0.00 -1.31 0.00 0.00 43.02 40.15 2jrl s PHE 99 CO -0.08 -0.74 -0.18 -0.51 1.83 0.00 0.00 175.22 175.55 2jrl s LEU 100 N 1.41 1.90 0.00 6.12 1.43 -1.19 -5.04 118.68 123.30 2jrl s LEU 100 Ca -0.01 -0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 52.57 2jrl s LEU 100 Cb -0.16 -1.02 0.22 0.00 0.03 0.00 0.00 46.19 45.26 2jrl s LEU 100 CO -0.08 0.14 0.52 -0.62 0.23 0.00 0.00 176.35 176.53 2jrl n GLU 101 N 3.29 -3.56 0.23 1.70 1.02 -1.26 -2.88 120.64 119.19 2jrl n GLU 101 Ca -0.19 -0.86 -0.11 0.00 -0.02 0.00 0.00 57.16 55.98 2jrl n GLU 101 Cb 0.53 -1.09 -0.05 0.00 -0.02 0.00 0.00 31.44 30.80 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 -0.63 -6.47 3.49 1.79 -1.73 -3.41 116.57 109.61 2jrl h LYS 102 Ca -0.23 0.04 -0.53 0.00 -2.18 0.00 0.00 60.65 57.75 2jrl h LYS 102 Cb 0.77 0.14 0.01 0.00 -1.58 0.00 0.00 32.23 31.57 2jrl h LYS 102 CO 0.14 -0.42 0.77 -1.25 -1.08 0.00 0.00 179.45 177.61 2jrl s PRO 103 N -4.58 4.31 0.00 3.15 0.04 -1.26 -4.97 135.00 131.68 2jrl s PRO 103 Ca -0.10 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 62.78 2jrl s PRO 103 Cb 0.02 -3.39 0.03 0.00 0.04 0.00 0.00 34.50 31.20 2jrl s PRO 103 CO 0.33 -0.49 0.40 -0.59 0.04 0.00 0.00 177.00 176.68 2jrl s PHE 104 N 1.67 -0.28 0.13 0.56 -0.12 -1.26 -5.11 117.98 113.56 2jrl s PHE 104 Ca 0.64 0.38 0.05 0.00 -0.05 0.00 0.00 56.93 57.96 2jrl s PHE 104 Cb -0.35 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.19 2jrl s PHE 104 CO 0.29 -0.49 0.05 -1.12 -0.05 0.00 0.00 175.22 173.90 2jrl s SER 105 N -1.56 5.21 0.56 1.98 0.01 -1.26 -4.95 113.70 113.69 2jrl s SER 105 Ca -0.10 -0.18 0.33 0.00 1.31 0.00 0.00 55.95 57.30 2jrl s SER 105 Cb -0.03 -1.28 1.48 0.00 0.21 0.00 0.00 66.02 66.40 2jrl s SER 105 CO 0.03 0.12 1.83 1.62 0.41 0.00 0.00 173.24 177.25 2jrl h VAL 106 N 2.49 0.42 0.16 3.43 3.04 -2.02 0.48 116.25 124.26 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 1.18 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 2jrl h VAL 106 CO 0.61 0.00 -0.08 -0.08 -1.01 0.00 0.00 177.57 177.02 2jrl h GLU 107 N 0.00 -0.21 0.00 4.17 4.81 -1.99 0.25 114.58 121.61 2jrl h GLU 107 Ca 0.43 0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.51 2jrl h GLU 107 Cb 1.87 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 31.27 2jrl h GLU 107 CO -0.00 -0.11 -0.99 -0.09 -0.73 0.00 0.00 179.01 177.09 2jrl h ARG 108 N -0.26 0.00 -0.07 1.92 9.65 -1.44 -3.07 114.38 121.11 2jrl h ARG 108 Ca -0.02 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 2jrl h ARG 108 Cb 0.20 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.78 2jrl h ARG 108 CO 0.04 0.59 -0.07 0.35 2.80 0.00 0.00 179.97 183.68 2jrl h PHE 109 N 0.00 0.20 -0.57 2.20 3.04 -0.04 -2.68 116.94 119.10 2jrl h PHE 109 Ca -0.08 -0.06 -0.09 0.00 3.98 0.00 0.00 57.97 61.73 2jrl h PHE 109 Cb 1.61 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 40.05 2jrl h PHE 109 CO 0.00 0.60 0.01 1.37 -2.02 0.00 0.00 178.31 178.28 2jrl h LEU 110 N -0.26 0.94 -1.65 0.59 8.10 -0.63 -2.62 115.31 119.79 2jrl h LEU 110 Ca 0.01 -0.25 -0.01 0.00 0.11 0.00 0.00 57.88 57.74 2jrl h LEU 110 Cb 0.57 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 40.52 2jrl h LEU 110 CO 0.02 0.99 0.09 0.25 -4.11 0.00 0.00 178.44 175.68 2jrl h LEU 111 N 0.89 0.29 -0.06 0.17 6.46 -1.54 -1.79 115.31 119.73 2jrl h LEU 111 Ca 0.17 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 2jrl h LEU 111 Cb 0.51 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.36 2jrl h LEU 111 CO 0.02 0.27 0.01 0.74 -0.62 0.00 0.00 178.44 178.86 2jrl h THR 112 N 0.33 1.22 0.78 1.05 2.02 -1.11 -2.54 112.91 114.65 2jrl h THR 112 Ca 0.08 -0.67 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 2jrl h THR 112 Cb 0.07 1.55 0.01 0.00 -1.74 0.00 0.00 68.15 68.04 2jrl h THR 112 CO -0.01 0.19 -0.37 0.40 0.37 0.00 0.00 175.52 176.09 2jrl h ILE 113 N -0.14 0.13 -0.93 3.11 1.08 -1.39 0.31 117.51 119.68 2jrl h ILE 113 Ca 0.02 -0.16 0.27 0.00 -0.39 0.00 0.00 64.86 64.60 2jrl h ILE 113 Cb 0.29 0.16 -0.16 0.00 -3.07 0.00 0.00 36.82 34.04 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 -1.18 0.13 0.00 2.37 3.64 -1.41 0.89 116.57 121.01 2jrl h LYS 114 Ca -0.11 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.09 2jrl h LYS 114 Cb 0.81 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 2jrl h LYS 114 CO 0.17 0.09 -0.85 0.45 -2.27 0.00 0.00 179.45 177.04 2jrl h HIS 115 N 0.13 0.00 -0.66 1.91 3.86 -1.33 -3.10 115.15 115.97 2jrl h HIS 115 Ca 0.62 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.93 2jrl h HIS 115 Cb 1.33 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.72 2jrl h HIS 115 CO -0.28 0.85 0.25 0.00 0.86 0.00 0.00 177.93 179.62 2jrl h ALA 116 N 1.15 0.87 0.19 2.45 0.00 0.48 -0.62 119.26 123.77 2jrl h ALA 116 Ca -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2jrl h ALA 116 Cb 1.55 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2jrl h ALA 116 CO 0.11 -0.18 -0.09 0.74 0.00 0.00 0.00 179.25 179.83 2jrl h PHE 117 N 0.43 -0.23 -0.92 0.00 -1.00 -1.49 -2.65 116.94 111.09 2jrl h PHE 117 Ca 0.34 -0.01 0.24 0.00 2.81 0.00 0.00 57.97 61.36 2jrl h PHE 117 Cb 0.44 0.08 -0.17 0.00 3.61 0.00 0.00 35.95 39.91 2jrl h PHE 117 CO -0.17 -0.14 -0.01 0.39 -1.61 0.00 0.00 178.31 176.77 2jrl n GLU 118 N -4.21 -0.07 0.11 1.51 1.02 -1.17 0.17 120.64 118.00 2jrl n GLU 118 Ca -0.03 1.38 -0.13 0.00 -0.02 0.00 0.00 57.16 58.36 2jrl n GLU 118 Cb 0.10 -2.18 -0.08 0.00 -0.02 0.00 0.00 31.44 29.25 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 -0.25 -0.99 3.49 4.57 -1.21 -2.95 114.58 117.24 2jrl h GLU 119 Ca 0.54 0.02 0.21 0.00 -1.18 0.00 0.00 59.36 58.95 2jrl h GLU 119 Cb 1.09 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 29.65 2jrl h GLU 119 CO -0.87 0.01 0.62 -0.92 -1.18 0.00 0.00 179.01 176.66 2jrl h TYR 120 N -0.50 0.85 0.00 0.92 5.03 0.11 -3.52 116.97 119.87 2jrl h TYR 120 Ca -0.03 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2jrl h TYR 120 Cb 0.38 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.40 2jrl h TYR 120 CO 0.00 0.17 0.00 0.45 -1.32 0.00 0.00 178.16 177.46