#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 -1.24 -2.73 2.12 4.76 -1.26 -4.76 118.16 115.06 2jrl n LYS 2 Ca 0.00 1.09 -0.43 0.00 -2.87 0.00 0.00 58.31 56.10 2jrl n LYS 2 Cb 0.00 -5.33 -0.03 0.00 -1.84 0.00 0.00 35.03 27.83 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 -3.41 3.44 -0.01 1.97 0.52 -1.26 -1.75 118.95 118.45 2jrl s ARG 3 Ca 0.00 0.02 0.08 0.00 -0.52 0.00 0.00 55.73 55.31 2jrl s ARG 3 Cb 0.00 -4.02 -0.02 0.00 0.52 0.00 0.00 34.95 31.43 2jrl s ARG 3 CO 0.00 -1.52 -0.25 0.54 0.02 0.00 0.00 175.30 174.09 2jrl s VAL 4 N 4.33 1.94 -0.20 3.52 0.11 -1.00 -3.76 120.40 125.35 2jrl s VAL 4 Ca 0.37 -1.08 -0.01 0.00 -2.93 0.00 0.00 61.98 58.33 2jrl s VAL 4 Cb -0.10 -1.62 0.01 0.00 -1.53 0.00 0.00 36.38 33.14 2jrl s VAL 4 CO 0.23 0.52 -0.14 -0.22 -3.33 0.00 0.00 175.10 172.16 2jrl s LEU 5 N -0.65 2.42 -0.38 2.54 2.96 -1.23 -2.16 118.68 122.18 2jrl s LEU 5 Ca 0.10 -0.57 -0.17 0.00 -0.22 0.00 0.00 54.13 53.27 2jrl s LEU 5 Cb -0.09 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 45.03 2jrl s LEU 5 CO -0.01 -0.01 0.45 -0.69 -1.32 0.00 0.00 176.35 174.78 2jrl s VAL 6 N 1.35 5.07 -0.36 1.68 1.01 0.87 -0.75 120.40 129.27 2jrl s VAL 6 Ca 0.05 -0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.85 2jrl s VAL 6 Cb -0.14 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 2jrl s VAL 6 CO -0.09 -0.29 0.40 -0.69 0.00 0.00 0.00 175.10 174.42 2jrl s VAL 7 N 2.23 5.13 -0.29 2.92 1.01 0.17 -2.49 120.40 129.09 2jrl s VAL 7 Ca 0.15 -0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.93 2jrl s VAL 7 Cb -0.16 -3.89 0.11 0.00 0.00 0.00 0.00 36.38 32.44 2jrl s VAL 7 CO 0.13 -0.19 0.82 -0.62 0.00 0.00 0.00 175.10 175.24 2jrl s ASP 8 N 1.76 -0.76 0.00 3.32 -1.08 -0.00 -2.76 116.67 117.14 2jrl s ASP 8 Ca 0.12 1.20 0.01 0.00 -0.52 0.00 0.00 52.55 53.37 2jrl s ASP 8 Cb -0.17 1.36 0.07 0.00 -1.46 0.00 0.00 42.92 42.73 2jrl s ASP 8 CO 0.12 -0.19 0.59 -0.90 0.52 0.00 0.00 175.17 175.31 2jrl n ASP 9 N 4.13 0.00 -4.10 -0.34 5.75 -1.26 -4.26 116.55 116.47 2jrl n ASP 9 Ca -0.19 -1.00 -0.37 0.00 -0.01 0.00 0.00 54.79 53.23 2jrl n ASP 9 Cb 0.58 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.58 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 2.80 0.60 0.11 2.56 -1.26 -4.91 118.70 116.60 2jrl s GLU 10 Ca 0.02 -2.76 0.30 0.00 0.00 0.00 0.00 54.97 52.53 2jrl s GLU 10 Cb 0.01 -3.81 1.73 0.00 2.00 0.00 0.00 34.13 34.05 2jrl s GLU 10 CO 0.01 -1.21 2.10 1.49 -0.56 0.00 0.00 175.26 177.10 2jrl h GLU 11 N 6.72 0.00 -0.68 4.30 4.81 -2.00 -0.83 114.58 126.91 2jrl h GLU 11 Ca 0.04 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2jrl h GLU 11 Cb 0.91 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 2jrl h GLU 11 CO 0.75 0.00 0.26 0.77 -0.73 0.00 0.00 179.01 180.06 2jrl h SER 12 N 0.00 0.95 0.11 1.04 0.02 -1.94 -1.02 113.55 112.71 2jrl h SER 12 Ca 0.07 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 2jrl h SER 12 Cb 0.48 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2jrl h SER 12 CO -0.00 0.87 -0.05 0.40 -1.14 0.00 0.00 176.83 176.91 2jrl h ILE 13 N 0.97 0.49 -1.02 3.27 1.08 -1.58 -3.27 117.51 117.45 2jrl h ILE 13 Ca 0.22 -1.18 0.26 0.00 -0.39 0.00 0.00 64.86 63.77 2jrl h ILE 13 Cb 0.23 0.88 -0.08 0.00 -3.07 0.00 0.00 36.82 34.78 2jrl h ILE 13 CO -0.02 0.15 0.67 0.71 -0.69 0.00 0.00 178.15 178.97 2jrl h THR 14 N -1.00 0.55 -0.81 -0.27 1.35 -1.51 0.32 112.91 111.55 2jrl h THR 14 Ca -0.02 -0.12 -0.00 0.00 -0.55 0.00 0.00 66.41 65.72 2jrl h THR 14 Cb 0.36 0.15 -0.04 0.00 -1.73 0.00 0.00 68.15 66.90 2jrl h THR 14 CO 0.03 0.07 0.50 0.28 -0.25 0.00 0.00 175.52 176.14 2jrl h SER 15 N 0.36 0.96 0.04 5.36 0.02 -1.27 0.16 113.55 119.18 2jrl h SER 15 Ca 0.56 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.47 2jrl h SER 15 Cb 1.50 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2jrl h SER 15 CO -0.25 0.73 -0.02 0.28 -1.14 0.00 0.00 176.83 176.43 2jrl h SER 16 N 1.11 -0.04 -0.08 3.07 0.02 -0.48 -3.10 113.55 114.06 2jrl h SER 16 Ca 0.29 -0.52 0.02 0.00 -0.84 0.00 0.00 61.79 60.75 2jrl h SER 16 Cb -0.07 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 2jrl h SER 16 CO -0.06 0.68 0.12 -0.07 -1.14 0.00 0.00 176.83 176.37 2jrl h LEU 17 N -0.97 0.00 -0.26 5.07 4.07 -1.13 0.60 115.31 122.69 2jrl h LEU 17 Ca -0.01 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.78 2jrl h LEU 17 Cb 0.56 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.27 2jrl h LEU 17 CO 0.01 0.00 -0.82 0.77 -1.08 0.00 0.00 178.44 177.32 2jrl h SER 18 N 0.00 0.00 -0.39 -0.43 4.64 -0.74 -2.42 113.55 114.22 2jrl h SER 18 Ca 0.04 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.25 2jrl h SER 18 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2jrl h SER 18 CO -0.00 0.82 -0.18 0.00 -0.87 0.00 0.00 176.83 176.60 2jrl h ALA 19 N 1.18 0.54 -0.01 5.18 0.00 -0.79 -1.25 119.26 124.11 2jrl h ALA 19 Ca -0.01 -0.36 -0.20 0.00 0.00 0.00 0.00 54.91 54.34 2jrl h ALA 19 Cb 1.50 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2jrl h ALA 19 CO 0.11 0.49 -0.86 0.82 0.00 0.00 0.00 179.25 179.81 2jrl h ILE 20 N 0.61 1.45 -0.23 0.00 1.08 -1.57 -2.59 117.51 116.25 2jrl h ILE 20 Ca 0.09 -2.46 -0.06 0.00 -0.39 0.00 0.00 64.86 62.04 2jrl h ILE 20 Cb 0.73 2.37 -0.01 0.00 -3.07 0.00 0.00 36.82 36.85 2jrl h ILE 20 CO 0.06 0.73 -0.08 0.25 -0.69 0.00 0.00 178.15 178.41 2jrl h LEU 21 N 0.17 0.48 -1.39 1.44 5.85 -1.38 -2.68 115.31 117.79 2jrl h LEU 21 Ca -0.05 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.24 2jrl h LEU 21 Cb 1.47 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 2jrl h LEU 21 CO 0.14 0.76 -0.18 -0.08 -0.34 0.00 0.00 178.44 178.73 2jrl h GLU 22 N 0.19 0.00 -0.26 1.25 4.81 -1.28 -1.31 114.58 117.97 2jrl h GLU 22 Ca 0.06 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.11 2jrl h GLU 22 Cb 0.56 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 2jrl h GLU 22 CO 0.03 0.18 -0.53 1.49 -0.73 0.00 0.00 179.01 179.45 2jrl h GLU 23 N 0.00 0.77 0.00 1.92 4.81 -1.25 -2.73 114.58 118.11 2jrl h GLU 23 Ca -0.00 -0.48 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2jrl h GLU 23 Cb 0.61 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2jrl h GLU 23 CO 0.02 1.11 0.00 0.39 -0.73 0.00 0.00 179.01 179.80 2jrl n GLU 24 N -4.00 0.81 -0.08 1.92 4.71 -1.03 -4.81 120.64 118.17 2jrl n GLU 24 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.11 2jrl n GLU 24 Cb 0.61 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.74 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 0.50 0.81 3.77 0.62 0.00 -1.03 -5.06 105.19 104.81 2jrl n GLY 25 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.37 2.23 -0.57 1.61 2.02 -0.51 -4.96 117.35 114.79 2jrl s TYR 26 Ca 0.00 0.79 0.03 0.00 -0.37 0.00 0.00 57.07 57.52 2jrl s TYR 26 Cb 0.00 -3.44 0.14 0.00 -0.40 0.00 0.00 41.96 38.27 2jrl s TYR 26 CO 0.00 -2.58 0.33 -1.01 -1.57 0.00 0.00 175.55 170.72 2jrl s HIS 27 N -3.27 3.28 0.45 2.71 3.76 -0.72 -3.82 115.29 117.69 2jrl s HIS 27 Ca 0.65 -3.13 -0.23 0.00 -0.15 0.00 0.00 55.06 52.20 2jrl s HIS 27 Cb -0.14 -2.88 -0.08 0.00 1.11 0.00 0.00 32.58 30.60 2jrl s HIS 27 CO 0.54 -0.73 1.17 -1.25 -0.85 0.00 0.00 174.74 173.62 2jrl s PRO 28 N -0.44 3.80 0.13 8.40 0.04 -1.25 -2.38 135.00 143.30 2jrl s PRO 28 Ca 0.18 1.79 0.02 0.00 0.04 0.00 0.00 61.00 63.04 2jrl s PRO 28 Cb -0.22 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 2jrl s PRO 28 CO -0.03 -0.52 -0.05 -0.51 0.04 0.00 0.00 177.00 175.93 2jrl s ASP 29 N -1.32 1.23 0.06 6.66 1.01 -0.92 -4.94 116.67 118.46 2jrl s ASP 29 Ca 0.63 -1.06 0.07 0.00 0.71 0.00 0.00 52.55 52.89 2jrl s ASP 29 Cb -0.29 0.09 -0.03 0.00 1.01 0.00 0.00 42.92 43.70 2jrl s ASP 29 CO 0.36 -0.49 -0.19 0.42 0.21 0.00 0.00 175.17 175.48 2jrl s THR 30 N -3.61 1.53 -0.22 -1.27 -4.23 -1.24 -0.09 115.64 106.51 2jrl s THR 30 Ca 0.17 -1.27 -0.08 0.00 -1.18 0.00 0.00 61.69 59.32 2jrl s THR 30 Cb 0.05 -1.37 0.10 0.00 1.34 0.00 0.00 72.50 72.62 2jrl s THR 30 CO -0.01 0.05 0.48 0.00 -0.54 0.00 0.00 174.62 174.60 2jrl s ALA 31 N -0.95 -1.37 -0.99 3.99 0.00 -1.04 -4.92 121.76 116.47 2jrl s ALA 31 Ca 0.05 1.73 0.25 0.00 0.00 0.00 0.00 51.96 53.99 2jrl s ALA 31 Cb -0.09 -1.40 0.46 0.00 0.00 0.00 0.00 23.12 22.09 2jrl s ALA 31 CO 0.02 -0.74 1.38 0.36 0.00 0.00 0.00 175.76 176.78 2jrl n LYS 32 N 5.27 0.01 -3.92 0.00 0.00 -1.26 -0.82 118.16 117.44 2jrl n LYS 32 Ca -0.11 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.07 2jrl n LYS 32 Cb 0.50 -1.51 -0.14 0.00 -0.00 0.00 0.00 35.03 33.88 2jrl n LYS 32 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2jrl s THR 33 N -3.01 0.09 0.03 0.58 -4.23 -1.26 -4.62 115.64 103.22 2jrl s THR 33 Ca 0.11 -0.02 -0.27 0.00 -1.18 0.00 0.00 61.69 60.33 2jrl s THR 33 Cb 0.17 -0.11 -0.17 0.00 1.34 0.00 0.00 72.50 73.74 2jrl s THR 33 CO 0.71 0.04 1.33 -0.07 -0.54 0.00 0.00 174.62 176.10 2jrl h LEU 34 N 6.33 -0.48 -0.98 4.79 -0.00 -1.95 -2.95 115.31 120.08 2jrl h LEU 34 Ca -0.29 -0.10 0.36 0.00 -0.00 0.00 0.00 57.88 57.86 2jrl h LEU 34 Cb 1.19 0.12 -0.18 0.00 -0.00 0.00 0.00 40.66 41.80 2jrl h LEU 34 CO 0.50 -0.16 0.33 -2.11 -0.00 0.00 0.00 178.44 177.00 2jrl n ARG 35 N -5.24 -0.07 -0.22 1.13 -4.01 -1.26 0.18 116.66 107.18 2jrl n ARG 35 Ca -0.11 1.40 -0.09 0.00 -1.04 0.00 0.00 57.85 58.02 2jrl n ARG 35 Cb 0.29 -2.39 0.03 0.00 -3.04 0.00 0.00 32.46 27.34 2jrl n ARG 35 CO 0.00 0.00 0.00 1.49 -3.04 0.00 0.00 177.63 176.08 2jrl h GLU 36 N 0.00 1.05 0.00 2.89 4.57 -1.97 -2.24 114.58 118.88 2jrl h GLU 36 Ca 0.74 -0.30 -0.02 0.00 -1.18 0.00 0.00 59.36 58.60 2jrl h GLU 36 Cb 1.83 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 30.30 2jrl h GLU 36 CO -0.82 0.99 -0.10 0.00 -1.18 0.00 0.00 179.01 177.90 2jrl h ALA 37 N 1.01 1.00 0.08 2.92 0.00 0.20 -3.06 119.26 121.42 2jrl h ALA 37 Ca 0.18 -0.09 -0.29 0.00 0.00 0.00 0.00 54.91 54.72 2jrl h ALA 37 Cb 0.47 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.27 2jrl h ALA 37 CO 0.02 0.12 -1.17 0.93 0.00 0.00 0.00 179.25 179.15 2jrl h GLU 38 N 0.00 0.64 0.24 0.00 5.08 -0.27 -1.61 114.58 118.67 2jrl h GLU 38 Ca -0.00 -0.81 -0.01 0.00 -1.00 0.00 0.00 59.36 57.54 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 -0.11 0.87 -1.00 0.00 0.00 179.01 180.14 2jrl h LYS 39 N 0.30 -0.31 -0.20 2.33 1.79 -1.33 -2.42 116.57 116.73 2jrl h LYS 39 Ca -0.17 0.02 -0.11 0.00 -2.18 0.00 0.00 60.65 58.21 2jrl h LYS 39 Cb 1.84 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 32.55 2jrl h LYS 39 CO 0.23 -0.17 -0.36 1.57 -1.08 0.00 0.00 179.45 179.63 2jrl h LYS 40 N -0.36 0.43 -0.57 3.15 2.10 -1.66 -2.60 116.57 117.07 2jrl h LYS 40 Ca -0.03 -0.20 0.08 0.00 -2.00 0.00 0.00 60.65 58.50 2jrl h LYS 40 Cb 0.28 -0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 31.54 2jrl h LYS 40 CO 0.05 0.74 0.22 0.82 -2.00 0.00 0.00 179.45 179.28 2jrl h ILE 41 N 0.37 0.81 -0.03 0.07 2.04 -1.08 0.13 117.51 119.83 2jrl h ILE 41 Ca 0.04 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2jrl h ILE 41 Cb 0.81 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 2jrl h ILE 41 CO 0.07 0.07 0.00 0.29 0.00 0.00 0.00 178.15 178.58 2jrl n LYS 42 N -4.99 1.41 0.00 2.37 5.02 -0.93 -3.31 118.16 117.73 2jrl n LYS 42 Ca 0.07 -0.60 0.08 0.00 -2.02 0.00 0.00 58.31 55.85 2jrl n LYS 42 Cb 0.24 -1.46 0.05 0.00 -0.02 0.00 0.00 35.03 33.83 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 -0.26 1.48 -3.85 1.97 0.28 0.32 -5.01 120.64 115.58 2jrl n GLU 43 Ca 0.20 -1.31 -0.08 0.00 -0.16 0.00 0.00 57.16 55.81 2jrl n GLU 43 Cb 0.25 -1.32 -0.03 0.00 1.43 0.00 0.00 31.44 31.78 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 -1.63 -0.17 -0.25 -1.84 2.34 -0.35 -5.03 118.68 111.75 2jrl s LEU 44 Ca 0.18 -0.61 -0.15 0.00 0.06 0.00 0.00 54.13 53.61 2jrl s LEU 44 Cb 0.14 2.54 -0.04 0.00 -0.56 0.00 0.00 46.19 48.27 2jrl s LEU 44 CO 0.28 -1.28 0.35 0.12 -1.06 0.00 0.00 176.35 174.76 2jrl s PHE 45 N -3.92 3.29 -0.16 3.48 2.19 -1.26 -4.75 117.98 116.85 2jrl s PHE 45 Ca 0.12 0.44 0.01 0.00 0.33 0.00 0.00 56.93 57.82 2jrl s PHE 45 Cb -0.05 -2.52 0.02 0.00 -1.31 0.00 0.00 43.02 39.16 2jrl s PHE 45 CO 0.06 -0.14 -0.15 -0.59 1.83 0.00 0.00 175.22 176.22 2jrl s PHE 46 N 1.75 2.34 -0.02 10.12 -0.71 -1.26 -4.97 117.98 125.23 2jrl s PHE 46 Ca 0.15 -1.35 -0.22 0.00 -1.04 0.00 0.00 56.93 54.47 2jrl s PHE 46 Cb -0.15 -1.68 -0.14 0.00 -1.21 0.00 0.00 43.02 39.83 2jrl s PHE 46 CO 0.09 -0.71 0.97 -1.00 -1.34 0.00 0.00 175.22 173.23 2jrl h PRO 47 N 8.02 -0.43 -4.47 1.99 0.13 -1.95 -3.45 132.00 131.83 2jrl h PRO 47 Ca -0.40 0.03 -0.38 0.00 -0.87 0.00 0.00 66.00 64.38 2jrl h PRO 47 Cb 1.13 0.10 -0.30 0.00 0.13 0.00 0.00 31.00 32.07 2jrl h PRO 47 CO 0.56 -0.11 -0.77 0.14 -0.23 0.00 0.00 178.00 177.58 2jrl s VAL 48 N -3.97 0.60 0.03 1.56 -7.23 -1.25 -2.96 120.40 107.18 2jrl s VAL 48 Ca -0.12 -0.29 0.03 0.00 -1.81 0.00 0.00 61.98 59.79 2jrl s VAL 48 Cb 0.01 -0.52 -0.02 0.00 0.56 0.00 0.00 36.38 36.41 2jrl s VAL 48 CO 0.44 0.18 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.68 2jrl s ILE 49 N 0.04 0.74 -0.18 -0.62 1.01 -0.76 -3.51 121.20 117.92 2jrl s ILE 49 Ca -0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 59.76 2jrl s ILE 49 Cb -0.05 -0.71 -0.01 0.00 0.01 0.00 0.00 42.46 41.70 2jrl s ILE 49 CO -0.00 -0.12 -0.10 -0.69 0.00 0.00 0.00 174.94 174.03 2jrl s VAL 50 N -0.90 3.06 -0.16 2.92 1.01 0.07 -0.52 120.40 125.88 2jrl s VAL 50 Ca -0.03 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 2jrl s VAL 50 Cb -0.07 -2.34 0.05 0.00 0.00 0.00 0.00 36.38 34.01 2jrl s VAL 50 CO 0.01 0.48 0.01 -0.22 0.00 0.00 0.00 175.10 175.37 2jrl s LEU 51 N 1.08 1.15 0.94 3.92 0.20 -0.21 0.46 118.68 126.22 2jrl s LEU 51 Ca 0.00 -0.60 -0.12 0.00 0.69 0.00 0.00 54.13 54.10 2jrl s LEU 51 Cb -0.15 -0.64 0.15 0.00 -0.43 0.00 0.00 46.19 45.13 2jrl s LEU 51 CO -0.02 -0.25 1.11 1.51 -0.29 0.00 0.00 176.35 178.42 2jrl s ASP 52 N 1.83 3.24 -0.10 3.68 -4.77 -1.11 -3.46 116.67 115.97 2jrl s ASP 52 Ca 0.01 1.10 -0.24 0.00 -3.30 0.00 0.00 52.55 50.11 2jrl s ASP 52 Cb -0.15 -1.73 -0.28 0.00 -1.09 0.00 0.00 42.92 39.67 2jrl s ASP 52 CO -0.07 -2.74 0.77 0.58 0.70 0.00 0.00 175.17 174.41 2jrl h VAL 53 N -1.62 1.56 -0.13 2.11 2.07 -0.77 -3.32 116.25 116.15 2jrl h VAL 53 Ca -0.52 -2.42 -0.09 0.00 0.82 0.00 0.00 66.70 64.49 2jrl h VAL 53 Cb 1.32 3.19 0.00 0.00 -1.52 0.00 0.00 31.29 34.29 2jrl h VAL 53 CO 0.60 0.65 0.27 1.87 0.02 0.00 0.00 177.57 180.97 2jrl n TRP 54 N -4.34 1.15 -4.56 1.57 -0.00 -1.26 -3.64 117.44 106.35 2jrl n TRP 54 Ca -0.14 -0.40 -0.30 0.00 -0.00 0.00 0.00 57.50 56.66 2jrl n TRP 54 Cb 0.67 -2.51 -0.12 0.00 -0.00 0.00 0.00 31.31 29.35 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 8.13 1.95 -0.02 5.87 -1.94 -1.26 -4.56 119.30 127.46 2jrl s MET 55 Ca 0.79 -1.06 -0.26 0.00 -1.71 0.00 0.00 55.69 53.45 2jrl s MET 55 Cb -0.03 -2.14 -0.20 0.00 2.01 0.00 0.00 34.83 34.47 2jrl s MET 55 CO 0.19 0.52 1.25 -1.00 -0.01 0.00 0.00 175.02 175.97 2jrl h PRO 56 N 4.30 -0.02 0.23 2.03 0.13 -1.89 -3.33 132.00 133.45 2jrl h PRO 56 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2jrl h PRO 56 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2jrl h PRO 56 CO 0.46 0.46 -0.11 0.22 -0.23 0.00 0.00 178.00 178.80 2jrl h ASP 57 N -0.51 -0.26 -3.97 1.44 3.58 -1.97 -3.48 116.42 111.25 2jrl h ASP 57 Ca -0.00 -0.12 0.23 0.00 0.42 0.00 0.00 57.03 57.55 2jrl h ASP 57 Cb 0.49 0.07 -0.21 0.00 1.72 0.00 0.00 39.33 41.39 2jrl h ASP 57 CO 0.00 -0.03 0.81 -0.83 -2.88 0.00 0.00 179.24 176.32 2jrl s GLY 58 N -2.49 -0.20 0.97 -0.78 0.00 -1.25 -5.10 107.32 98.47 2jrl s GLY 58 Ca -0.15 1.93 -0.15 0.00 0.00 0.00 0.00 44.72 46.35 2jrl s GLY 58 CO 0.62 0.72 -0.30 1.22 0.00 0.00 0.00 173.10 175.36 2jrl n ASP 59 N 0.15 -4.38 -0.00 1.64 9.92 -1.26 -4.44 116.55 118.17 2jrl n ASP 59 Ca -0.01 0.25 -0.17 0.00 -0.53 0.00 0.00 54.79 54.33 2jrl n ASP 59 Cb 0.58 -0.95 -0.14 0.00 -0.64 0.00 0.00 41.12 39.98 2jrl n ASP 59 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jrl n GLY 60 N 2.66 -0.71 0.32 0.44 0.00 -1.24 -3.59 105.19 103.08 2jrl n GLY 60 Ca 0.02 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 0.05 0.63 0.00 1.61 3.04 -1.89 0.20 116.25 119.89 2jrl h VAL 61 Ca -0.38 -0.19 -0.12 0.00 -1.01 0.00 0.00 66.70 65.00 2jrl h VAL 61 Cb 2.03 0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 31.31 2jrl h VAL 61 CO 0.09 0.10 -0.59 -1.13 -1.01 0.00 0.00 177.57 175.03 2jrl h ASN 62 N 0.56 0.00 -0.18 3.17 -1.24 -1.96 -3.19 115.58 112.75 2jrl h ASN 62 Ca 0.51 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.52 2jrl h ASN 62 Cb 0.84 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.88 2jrl h ASN 62 CO -0.42 0.59 0.11 0.15 -1.29 0.00 0.00 177.43 176.57 2jrl h PHE 63 N 0.00 0.24 -0.74 0.67 3.57 -0.66 -2.47 116.94 117.54 2jrl h PHE 63 Ca -0.01 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.65 2jrl h PHE 63 Cb 1.33 -0.08 -0.10 0.00 2.79 0.00 0.00 35.95 39.89 2jrl h PHE 63 CO 0.00 0.16 0.24 0.82 -2.23 0.00 0.00 178.31 177.30 2jrl h ILE 64 N 0.25 0.58 -0.99 1.41 2.04 -1.45 -0.41 117.51 118.94 2jrl h ILE 64 Ca 0.07 -0.12 0.37 0.00 1.00 0.00 0.00 64.86 66.17 2jrl h ILE 64 Cb -0.01 0.20 -0.18 0.00 -0.74 0.00 0.00 36.82 36.10 2jrl h ILE 64 CO -0.01 0.06 0.40 -0.78 0.00 0.00 0.00 178.15 177.82 2jrl h ASP 65 N 0.35 0.12 -0.24 1.72 3.58 -1.65 0.79 116.42 121.09 2jrl h ASP 65 Ca 0.41 0.26 -0.07 0.00 0.42 0.00 0.00 57.03 58.05 2jrl h ASP 65 Cb 0.68 0.31 -0.01 0.00 1.72 0.00 0.00 39.33 42.03 2jrl h ASP 65 CO -0.46 -0.38 -0.11 0.15 -2.88 0.00 0.00 179.24 175.56 2jrl h PHE 66 N 0.04 0.57 0.09 0.28 3.57 -1.25 -2.84 116.94 117.39 2jrl h PHE 66 Ca 0.77 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 62.12 2jrl h PHE 66 Cb 1.90 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.51 2jrl h PHE 66 CO -0.14 0.76 -0.04 0.82 -2.23 0.00 0.00 178.31 177.48 2jrl h ILE 67 N 0.21 0.97 0.00 1.41 2.04 0.49 -1.44 117.51 121.18 2jrl h ILE 67 Ca 0.05 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2jrl h ILE 67 Cb 0.61 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 2jrl h ILE 67 CO 0.03 0.05 0.00 0.29 0.00 0.00 0.00 178.15 178.52 2jrl n LYS 68 N -5.10 0.03 -0.02 2.37 4.76 0.57 0.15 118.16 120.91 2jrl n LYS 68 Ca -0.08 0.51 -0.20 0.00 -2.87 0.00 0.00 58.31 55.68 2jrl n LYS 68 Cb 0.11 -1.60 -0.14 0.00 -1.84 0.00 0.00 35.03 31.57 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 -1.66 0.73 -0.45 1.97 2.13 -0.62 -3.96 120.64 118.77 2jrl n GLU 69 Ca -0.00 0.24 0.05 0.00 0.66 0.00 0.00 57.16 58.11 2jrl n GLU 69 Cb 0.02 -1.68 0.20 0.00 0.27 0.00 0.00 31.44 30.25 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 -3.39 2.73 0.00 4.31 0.23 -0.55 -4.79 115.26 113.80 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 1.04 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 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 -1.04 0.00 -0.11 0.53 2.88 0.39 -4.98 113.62 111.29 2jrl n SER 71 Ca 0.23 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.63 2jrl n SER 71 Cb 0.83 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.26 2jrl n SER 71 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2jrl h PRO 72 N 0.00 0.86 0.00 -1.46 0.13 -1.69 -2.83 132.00 127.01 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 -4.83 1.44 9.92 -1.26 -4.80 116.55 112.89 2jrl n ASP 73 Ca -0.03 0.18 -0.32 0.00 -0.53 0.00 0.00 54.79 54.09 2jrl n ASP 73 Cb 0.52 -0.37 -0.02 0.00 -0.64 0.00 0.00 41.12 40.61 2jrl n ASP 73 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2jrl s SER 74 N -2.74 6.34 -0.11 -2.24 0.01 -1.07 -4.93 113.70 108.96 2jrl s SER 74 Ca 0.17 1.68 0.02 0.00 1.31 0.00 0.00 55.95 59.12 2jrl s SER 74 Cb 0.14 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.87 2jrl s SER 74 CO 0.35 -0.78 -0.15 0.68 0.41 0.00 0.00 173.24 173.75 2jrl s VAL 75 N -2.51 1.49 0.06 3.43 -7.23 -1.16 -5.00 120.40 109.48 2jrl s VAL 75 Ca 0.61 -0.64 0.09 0.00 -1.81 0.00 0.00 61.98 60.24 2jrl s VAL 75 Cb -0.12 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.43 2jrl s VAL 75 CO 0.32 0.44 -0.25 -0.69 -0.31 0.00 0.00 175.10 174.61 2jrl s VAL 76 N 0.99 2.29 -0.19 1.32 1.01 -1.16 -1.83 120.40 122.83 2jrl s VAL 76 Ca -0.06 -1.42 -0.05 0.00 0.00 0.00 0.00 61.98 60.44 2jrl s VAL 76 Cb -0.15 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 2jrl s VAL 76 CO -0.02 0.31 0.01 -0.63 0.00 0.00 0.00 175.10 174.77 2jrl s ILE 77 N -0.88 4.12 -0.23 2.22 1.09 0.32 -1.42 121.20 126.43 2jrl s ILE 77 Ca 0.13 -0.26 -0.11 0.00 -1.10 0.00 0.00 60.65 59.31 2jrl s ILE 77 Cb -0.10 -2.86 -0.05 0.00 -1.06 0.00 0.00 42.46 38.39 2jrl s ILE 77 CO 0.03 0.44 0.17 -0.69 -0.10 0.00 0.00 174.94 174.79 2jrl s VAL 78 N 0.83 5.36 0.01 2.92 1.01 -1.16 -1.04 120.40 128.32 2jrl s VAL 78 Ca 0.01 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.25 2jrl s VAL 78 Cb -0.14 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 2jrl s VAL 78 CO 0.02 0.35 -0.10 0.27 0.00 0.00 0.00 175.10 175.64 2jrl s ILE 79 N 0.97 0.79 -0.12 2.22 -4.36 -1.22 -3.18 121.20 116.29 2jrl s ILE 79 Ca 0.09 -0.58 -0.16 0.00 -0.26 0.00 0.00 60.65 59.73 2jrl s ILE 79 Cb -0.13 -0.69 0.04 0.00 1.25 0.00 0.00 42.46 42.93 2jrl s ILE 79 CO 0.04 0.11 0.41 0.28 0.24 0.00 0.00 174.94 176.02 2jrl s THR 80 N -0.46 0.01 -0.27 8.37 -1.32 -1.15 0.03 115.64 120.85 2jrl s THR 80 Ca 0.02 -0.11 0.21 0.00 -1.21 0.00 0.00 61.69 60.59 2jrl s THR 80 Cb -0.05 -0.62 0.09 0.00 -1.51 0.00 0.00 72.50 70.41 2jrl s THR 80 CO 0.00 -0.06 1.25 1.23 -2.21 0.00 0.00 174.62 174.83 2jrl h GLY 81 N 4.94 0.00 2.00 6.08 0.00 -1.89 -2.69 103.07 111.52 2jrl h GLY 81 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 2jrl h GLY 81 CO 0.29 0.00 -0.03 0.45 0.00 0.00 0.00 176.54 177.25 2jrl h HIS 82 N 0.00 0.00 -2.95 5.60 3.86 -1.99 -3.43 115.15 116.24 2jrl h HIS 82 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2jrl h HIS 82 Cb 1.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.62 2jrl h HIS 82 CO 0.00 0.03 -0.71 0.41 0.86 0.00 0.00 177.93 178.52 2jrl n GLY 83 N -1.46 -4.42 0.00 2.45 0.00 -1.25 -5.09 105.19 95.42 2jrl n GLY 83 Ca -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.39 0.00 -0.09 1.61 3.41 -1.26 -5.05 113.62 111.86 2jrl n SER 84 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 2jrl n SER 84 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 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 1.30 0.66 -3.33 3.04 -1.98 -1.34 116.25 114.60 2jrl h VAL 85 Ca 0.00 -1.35 -0.03 0.00 -1.01 0.00 0.00 66.70 64.31 2jrl h VAL 85 Cb 0.00 1.57 -0.01 0.00 -2.01 0.00 0.00 31.29 30.85 2jrl h VAL 85 CO 0.00 0.43 -0.43 0.44 -1.01 0.00 0.00 177.57 177.00 2jrl h ASP 86 N 0.36 -1.08 0.07 3.17 3.32 -2.00 -0.81 116.42 119.44 2jrl h ASP 86 Ca 0.05 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2jrl h ASP 86 Cb 0.76 0.32 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 2jrl h ASP 86 CO 0.06 -0.65 -0.06 0.74 -1.72 0.00 0.00 179.24 177.60 2jrl h THR 87 N -1.03 1.00 -0.05 0.35 2.02 -1.97 -2.62 112.91 110.61 2jrl h THR 87 Ca -0.08 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 2jrl h THR 87 Cb 0.84 1.12 -0.00 0.00 -1.74 0.00 0.00 68.15 68.36 2jrl h THR 87 CO 0.07 0.06 0.01 0.00 0.37 0.00 0.00 175.52 176.03 2jrl h ALA 88 N 1.94 0.07 0.45 6.16 0.00 -0.75 -2.16 119.26 124.97 2jrl h ALA 88 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2jrl h ALA 88 Cb 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2jrl h ALA 88 CO 0.01 -0.28 -0.46 0.28 0.00 0.00 0.00 179.25 178.79 2jrl h VAL 89 N -0.17 0.00 -0.32 0.00 2.07 -0.79 -0.40 116.25 116.63 2jrl h VAL 89 Ca 0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.63 2jrl h VAL 89 Cb 0.29 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 2jrl h VAL 89 CO 0.00 0.00 0.37 0.07 0.02 0.00 0.00 177.57 178.04 2jrl h LYS 90 N -0.91 0.00 0.00 1.57 5.09 -1.59 0.78 116.57 121.51 2jrl h LYS 90 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.68 2jrl h LYS 90 Cb 0.79 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.12 2jrl h LYS 90 CO -0.06 0.00 -0.23 0.00 -2.09 0.00 0.00 179.45 177.06 2jrl n ALA 91 N -2.31 2.57 0.02 0.07 0.00 -0.49 -2.83 120.51 117.53 2jrl n ALA 91 Ca 0.05 -0.12 -0.20 0.00 0.00 0.00 0.00 53.44 53.16 2jrl n ALA 91 Cb 0.53 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.48 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 0.73 0.00 0.00 1.08 0.22 -2.32 117.51 117.21 2jrl h ILE 92 Ca 0.00 -2.43 0.00 0.00 -0.39 0.00 0.00 64.86 62.04 2jrl h ILE 92 Cb 0.70 2.57 0.00 0.00 -3.07 0.00 0.00 36.82 37.02 2jrl h ILE 92 CO 0.00 0.86 0.00 2.29 -0.69 0.00 0.00 178.15 180.61 2jrl n LYS 93 N -3.47 0.17 0.01 2.37 2.85 -0.84 -3.66 118.16 115.59 2jrl n LYS 93 Ca -0.28 0.14 -0.02 0.00 -1.05 0.00 0.00 58.31 57.10 2jrl n LYS 93 Cb 1.05 -1.70 -0.01 0.00 -0.65 0.00 0.00 35.03 33.73 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 -0.11 0.00 -1.58 1.63 -1.65 -3.47 116.57 111.39 2jrl h LYS 94 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2jrl h LYS 94 Cb 0.64 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.30 2jrl h LYS 94 CO 0.00 -0.07 0.00 0.41 -3.45 0.00 0.00 179.45 176.34 2jrl n GLY 95 N 1.45 0.34 3.58 5.01 0.00 -1.24 -4.89 105.19 109.44 2jrl n GLY 95 Ca -0.01 0.00 -0.38 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 3.53 0.16 4.61 0.00 -0.87 -2.98 121.76 126.20 2jrl s ALA 96 Ca 0.00 -1.15 0.15 0.00 0.00 0.00 0.00 51.96 50.96 2jrl s ALA 96 Cb 0.00 -2.52 0.43 0.00 0.00 0.00 0.00 23.12 21.03 2jrl s ALA 96 CO 0.00 -0.64 1.62 -0.92 0.00 0.00 0.00 175.76 175.82 2jrl h TYR 97 N 8.39 0.00 -2.49 0.00 3.20 -1.53 -3.41 116.97 121.14 2jrl h TYR 97 Ca -0.34 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.44 2jrl h TYR 97 Cb 1.18 0.00 -0.19 0.00 1.54 0.00 0.00 36.73 39.26 2jrl h TYR 97 CO 0.74 0.52 -0.02 -2.00 -1.64 0.00 0.00 178.16 175.77 2jrl s GLU 98 N -3.45 0.89 -0.24 1.82 2.56 -1.26 -5.09 118.70 113.93 2jrl s GLU 98 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.97 55.01 2jrl s GLU 98 Cb 0.11 0.41 0.04 0.00 2.00 0.00 0.00 34.13 36.69 2jrl s GLU 98 CO 0.73 -0.27 -0.10 0.12 -0.56 0.00 0.00 175.26 175.18 2jrl s PHE 99 N -1.34 3.08 -0.08 5.30 2.19 -1.26 -2.98 117.98 122.88 2jrl s PHE 99 Ca -0.12 -1.81 0.03 0.00 0.33 0.00 0.00 56.93 55.36 2jrl s PHE 99 Cb -0.02 -2.00 0.01 0.00 -1.31 0.00 0.00 43.02 39.70 2jrl s PHE 99 CO 0.07 -0.79 -0.17 -0.51 1.83 0.00 0.00 175.22 175.64 2jrl s LEU 100 N 1.25 1.84 0.00 6.12 1.43 -1.19 -5.04 118.68 123.08 2jrl s LEU 100 Ca -0.02 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.56 2jrl s LEU 100 Cb -0.17 -1.08 0.17 0.00 0.03 0.00 0.00 46.19 45.13 2jrl s LEU 100 CO -0.06 0.09 0.38 -0.62 0.23 0.00 0.00 176.35 176.37 2jrl n GLU 101 N 3.69 -3.20 0.28 1.70 4.71 -1.26 -2.92 120.64 123.65 2jrl n GLU 101 Ca -0.21 -0.64 -0.12 0.00 -0.01 0.00 0.00 57.16 56.18 2jrl n GLU 101 Cb 0.52 -0.84 -0.06 0.00 -1.01 0.00 0.00 31.44 30.05 2jrl n GLU 101 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 2jrl h LYS 102 N 0.00 -0.74 -6.49 3.49 1.79 -1.74 -3.41 116.57 109.47 2jrl h LYS 102 Ca -0.17 0.05 -0.53 0.00 -2.18 0.00 0.00 60.65 57.81 2jrl h LYS 102 Cb 0.58 0.17 0.01 0.00 -1.58 0.00 0.00 32.23 31.41 2jrl h LYS 102 CO 0.10 -0.49 0.75 -1.25 -1.08 0.00 0.00 179.45 177.48 2jrl s PRO 103 N -4.79 4.31 -0.00 3.15 0.04 -1.26 -4.98 135.00 131.48 2jrl s PRO 103 Ca -0.12 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 62.76 2jrl s PRO 103 Cb 0.02 -3.36 0.04 0.00 0.04 0.00 0.00 34.50 31.23 2jrl s PRO 103 CO 0.36 -0.47 0.42 -0.59 0.04 0.00 0.00 177.00 176.76 2jrl s PHE 104 N 1.53 -0.30 0.11 0.56 -0.12 -1.26 -5.11 117.98 113.39 2jrl s PHE 104 Ca 0.64 0.42 0.05 0.00 -0.05 0.00 0.00 56.93 57.99 2jrl s PHE 104 Cb -0.35 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.20 2jrl s PHE 104 CO 0.29 -0.49 0.05 -1.12 -0.05 0.00 0.00 175.22 173.89 2jrl s SER 105 N -1.52 5.22 0.56 1.98 0.01 -1.26 -4.95 113.70 113.73 2jrl s SER 105 Ca -0.10 -0.15 0.32 0.00 1.31 0.00 0.00 55.95 57.33 2jrl s SER 105 Cb -0.03 -1.29 1.48 0.00 0.21 0.00 0.00 66.02 66.38 2jrl s SER 105 CO 0.03 0.14 1.83 1.62 0.41 0.00 0.00 173.24 177.28 2jrl h VAL 106 N 2.59 0.43 -0.01 3.43 3.04 -2.02 0.48 116.25 124.18 2jrl h VAL 106 Ca -0.47 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.22 2jrl h VAL 106 Cb 1.18 0.49 -0.00 0.00 -2.01 0.00 0.00 31.29 30.95 2jrl h VAL 106 CO 0.62 0.00 0.01 -0.08 -1.01 0.00 0.00 177.57 177.10 2jrl h GLU 107 N 0.00 0.01 0.00 4.17 4.81 -1.99 0.26 114.58 121.85 2jrl h GLU 107 Ca 0.42 -0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.47 2jrl h GLU 107 Cb 1.83 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.18 2jrl h GLU 107 CO -0.00 0.08 -1.07 -0.09 -0.73 0.00 0.00 179.01 177.19 2jrl h ARG 108 N -0.05 0.00 -0.07 1.92 9.65 -1.37 -3.04 114.38 121.42 2jrl h ARG 108 Ca 0.00 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 2jrl h ARG 108 Cb 0.07 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.65 2jrl h ARG 108 CO -0.00 0.57 -0.09 0.35 2.80 0.00 0.00 179.97 183.60 2jrl h PHE 109 N 0.00 0.23 -0.53 2.20 3.04 -0.07 -2.71 116.94 119.10 2jrl h PHE 109 Ca -0.09 -0.07 -0.11 0.00 3.98 0.00 0.00 57.97 61.68 2jrl h PHE 109 Cb 1.64 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 40.09 2jrl h PHE 109 CO 0.00 0.65 -0.09 1.37 -2.02 0.00 0.00 178.31 178.22 2jrl h LEU 110 N -0.26 0.98 -1.75 0.59 8.10 -0.62 -2.73 115.31 119.62 2jrl h LEU 110 Ca 0.01 -0.31 -0.00 0.00 0.11 0.00 0.00 57.88 57.69 2jrl h LEU 110 Cb 0.62 -0.27 -0.01 0.00 -0.44 0.00 0.00 40.66 40.56 2jrl h LEU 110 CO 0.02 1.08 0.11 0.25 -4.11 0.00 0.00 178.44 175.79 2jrl h LEU 111 N 0.88 0.24 -0.00 0.17 6.46 -1.56 -1.91 115.31 119.60 2jrl h LEU 111 Ca 0.14 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.89 2jrl h LEU 111 Cb 0.64 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.51 2jrl h LEU 111 CO 0.04 0.20 0.00 0.74 -0.62 0.00 0.00 178.44 178.80 2jrl h THR 112 N 0.28 1.18 0.75 1.05 2.02 -1.16 -2.58 112.91 114.46 2jrl h THR 112 Ca 0.07 -0.54 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 2jrl h THR 112 Cb 0.01 1.55 0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2jrl h THR 112 CO -0.01 0.14 -0.36 0.40 0.37 0.00 0.00 175.52 176.06 2jrl h ILE 113 N -0.23 0.18 -0.93 3.11 1.08 -1.42 0.35 117.51 119.66 2jrl h ILE 113 Ca 0.00 -0.14 0.25 0.00 -0.39 0.00 0.00 64.86 64.58 2jrl h ILE 113 Cb 0.23 0.21 -0.17 0.00 -3.07 0.00 0.00 36.82 34.03 2jrl h ILE 113 CO 0.00 0.01 0.10 0.50 -0.69 0.00 0.00 178.15 178.07 2jrl h LYS 114 N -1.12 0.07 0.00 2.37 3.64 -1.43 0.93 116.57 121.02 2jrl h LYS 114 Ca -0.10 -0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.10 2jrl h LYS 114 Cb 0.79 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 2jrl h LYS 114 CO 0.17 0.04 -0.81 0.45 -2.27 0.00 0.00 179.45 177.03 2jrl h HIS 115 N 0.07 0.00 -0.69 1.91 3.86 -1.33 -3.15 115.15 115.82 2jrl h HIS 115 Ca 0.57 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.90 2jrl h HIS 115 Cb 1.18 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.56 2jrl h HIS 115 CO -0.41 0.81 0.27 0.00 0.86 0.00 0.00 177.93 179.46 2jrl h ALA 116 N 1.19 0.93 0.20 2.45 0.00 0.51 -0.14 119.26 124.39 2jrl h ALA 116 Ca -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2jrl h ALA 116 Cb 1.51 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2jrl h ALA 116 CO 0.11 -0.19 -0.09 0.74 0.00 0.00 0.00 179.25 179.81 2jrl h PHE 117 N 0.44 -0.24 -0.99 0.00 -1.00 -1.48 -2.34 116.94 111.34 2jrl h PHE 117 Ca 0.36 -0.01 0.35 0.00 2.81 0.00 0.00 57.97 61.49 2jrl h PHE 117 Cb 0.50 0.08 -0.18 0.00 3.61 0.00 0.00 35.95 39.96 2jrl h PHE 117 CO -0.17 -0.15 0.32 0.39 -1.61 0.00 0.00 178.31 177.09 2jrl n GLU 118 N -4.08 -0.07 0.07 1.51 1.02 -1.18 -0.02 120.64 117.89 2jrl n GLU 118 Ca -0.03 1.41 -0.13 0.00 -0.02 0.00 0.00 57.16 58.39 2jrl n GLU 118 Cb 0.10 -2.40 -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 -0.21 -1.02 3.49 4.57 -1.11 -3.13 114.58 117.17 2jrl h GLU 119 Ca 0.74 0.01 0.25 0.00 -1.18 0.00 0.00 59.36 59.18 2jrl h GLU 119 Cb 1.80 0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 30.33 2jrl h GLU 119 CO -0.83 0.17 0.64 -0.92 -1.18 0.00 0.00 179.01 176.89 2jrl h TYR 120 N -0.66 0.83 0.00 0.92 3.20 0.14 -3.51 116.97 117.88 2jrl h TYR 120 Ca -0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2jrl h TYR 120 Cb 0.48 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.51 2jrl h TYR 120 CO 0.06 0.09 0.00 0.45 -1.64 0.00 0.00 178.16 177.11