#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 -1.49 -2.76 2.12 4.76 -1.26 -4.76 118.16 114.77 2jrl n LYS 2 Ca 0.00 0.88 -0.43 0.00 -2.87 0.00 0.00 58.31 55.89 2jrl n LYS 2 Cb 0.00 -5.24 -0.04 0.00 -1.84 0.00 0.00 35.03 27.92 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 -3.68 3.35 -0.00 1.97 0.52 -1.26 -1.89 118.95 117.95 2jrl s ARG 3 Ca 0.00 -0.17 0.08 0.00 -0.52 0.00 0.00 55.73 55.12 2jrl s ARG 3 Cb 0.00 -4.06 -0.02 0.00 0.52 0.00 0.00 34.95 31.39 2jrl s ARG 3 CO 0.00 -1.59 -0.25 0.54 0.02 0.00 0.00 175.30 174.02 2jrl s VAL 4 N 4.29 2.17 -0.20 3.52 0.11 -1.12 -3.72 120.40 125.44 2jrl s VAL 4 Ca 0.33 -1.16 -0.00 0.00 -2.93 0.00 0.00 61.98 58.22 2jrl s VAL 4 Cb -0.11 -1.78 0.02 0.00 -1.53 0.00 0.00 36.38 32.97 2jrl s VAL 4 CO 0.20 0.52 -0.14 -0.22 -3.33 0.00 0.00 175.10 172.12 2jrl s LEU 5 N -0.82 2.54 -0.40 2.54 0.20 -1.22 -2.54 118.68 118.97 2jrl s LEU 5 Ca 0.11 -0.69 -0.18 0.00 0.69 0.00 0.00 54.13 54.06 2jrl s LEU 5 Cb -0.10 -1.56 0.01 0.00 -0.43 0.00 0.00 46.19 44.11 2jrl s LEU 5 CO 0.00 -0.04 0.48 -0.69 -0.29 0.00 0.00 176.35 175.82 2jrl s VAL 6 N 1.32 5.03 -0.41 1.68 1.01 0.46 -0.24 120.40 129.25 2jrl s VAL 6 Ca 0.03 -0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.74 2jrl s VAL 6 Cb -0.14 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.22 2jrl s VAL 6 CO -0.09 -0.39 0.52 -0.69 0.00 0.00 0.00 175.10 174.45 2jrl s VAL 7 N 2.31 4.99 -0.29 2.92 1.01 0.17 -2.83 120.40 128.68 2jrl s VAL 7 Ca 0.15 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.98 2jrl s VAL 7 Cb -0.16 -4.07 0.11 0.00 0.00 0.00 0.00 36.38 32.26 2jrl s VAL 7 CO 0.14 -0.42 0.66 -1.81 0.00 0.00 0.00 175.10 173.67 2jrl s ASP 8 N 1.86 -1.06 0.00 3.32 1.01 -0.79 -2.84 116.67 118.17 2jrl s ASP 8 Ca 0.17 1.54 0.06 0.00 0.71 0.00 0.00 52.55 55.03 2jrl s ASP 8 Cb -0.16 1.95 0.37 0.00 1.01 0.00 0.00 42.92 46.09 2jrl s ASP 8 CO 0.15 -0.23 0.76 -0.90 0.21 0.00 0.00 175.17 175.17 2jrl n ASP 9 N 5.04 0.00 -4.17 0.27 5.75 -1.26 -4.19 116.55 117.99 2jrl n ASP 9 Ca -0.15 -0.47 -0.40 0.00 -0.01 0.00 0.00 54.79 53.76 2jrl n ASP 9 Cb 0.53 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.55 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 2.99 0.65 0.11 2.56 -1.26 -4.90 118.70 116.85 2jrl s GLU 10 Ca 0.09 -2.62 0.35 0.00 0.00 0.00 0.00 54.97 52.79 2jrl s GLU 10 Cb 0.04 -3.98 1.92 0.00 2.00 0.00 0.00 34.13 34.11 2jrl s GLU 10 CO 0.07 -1.22 2.12 1.49 -0.56 0.00 0.00 175.26 177.17 2jrl h GLU 11 N 7.11 0.00 -0.53 4.30 4.81 -1.99 -0.61 114.58 127.67 2jrl h GLU 11 Ca 0.05 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 2jrl h GLU 11 Cb 0.96 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 2jrl h GLU 11 CO 0.74 0.00 -0.05 0.77 -0.73 0.00 0.00 179.01 179.74 2jrl h SER 12 N 0.00 0.96 0.12 1.04 0.02 -1.94 -1.92 113.55 111.83 2jrl h SER 12 Ca 0.02 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.64 2jrl h SER 12 Cb 0.40 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2jrl h SER 12 CO -0.00 1.06 -0.06 0.40 -1.14 0.00 0.00 176.83 177.10 2jrl h ILE 13 N 0.84 0.52 -1.05 3.27 1.08 -1.52 -3.29 117.51 117.35 2jrl h ILE 13 Ca 0.14 -1.19 0.28 0.00 -0.39 0.00 0.00 64.86 63.70 2jrl h ILE 13 Cb 0.60 0.93 -0.08 0.00 -3.07 0.00 0.00 36.82 35.20 2jrl h ILE 13 CO 0.04 0.16 0.69 0.71 -0.69 0.00 0.00 178.15 179.06 2jrl h THR 14 N -0.99 0.51 -0.95 -0.27 1.35 -1.55 0.33 112.91 111.34 2jrl h THR 14 Ca -0.02 -0.11 0.02 0.00 -0.55 0.00 0.00 66.41 65.75 2jrl h THR 14 Cb 0.38 0.17 -0.05 0.00 -1.73 0.00 0.00 68.15 66.92 2jrl h THR 14 CO 0.03 0.06 0.63 -1.28 -0.25 0.00 0.00 175.52 174.70 2jrl h SER 15 N 0.31 1.07 0.04 5.36 0.87 -1.43 0.18 113.55 119.96 2jrl h SER 15 Ca 0.58 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 61.11 2jrl h SER 15 Cb 1.62 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2jrl h SER 15 CO -0.23 0.77 -0.02 0.28 -0.53 0.00 0.00 176.83 177.09 2jrl h SER 16 N 1.26 -0.05 -0.15 6.23 0.02 -0.47 -3.09 113.55 117.30 2jrl h SER 16 Ca 0.35 -0.51 0.04 0.00 -0.84 0.00 0.00 61.79 60.84 2jrl h SER 16 Cb -0.11 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2jrl h SER 16 CO -0.08 0.67 0.19 -0.07 -1.14 0.00 0.00 176.83 176.39 2jrl h LEU 17 N -0.96 0.00 -0.31 5.07 4.07 -1.17 0.11 115.31 122.12 2jrl h LEU 17 Ca -0.01 0.00 -0.17 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 42.27 2jrl h LEU 17 CO 0.01 0.00 -0.79 0.77 -1.08 0.00 0.00 178.44 177.35 2jrl h SER 18 N 0.00 0.00 -0.41 -0.43 4.64 -0.71 -2.37 113.55 114.27 2jrl h SER 18 Ca 0.07 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.28 2jrl h SER 18 Cb 0.44 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 2jrl h SER 18 CO -0.00 0.79 -0.17 0.00 -0.87 0.00 0.00 176.83 176.58 2jrl h ALA 19 N 1.21 0.57 -0.00 5.18 0.00 -0.68 -0.82 119.26 124.71 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 1.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2jrl h ALA 19 CO 0.10 0.50 -0.88 0.82 0.00 0.00 0.00 179.25 179.79 2jrl h ILE 20 N 0.64 1.47 -0.20 0.00 1.08 -1.56 -2.57 117.51 116.37 2jrl h ILE 20 Ca 0.09 -2.55 -0.07 0.00 -0.39 0.00 0.00 64.86 61.94 2jrl h ILE 20 Cb 0.72 2.43 -0.00 0.00 -3.07 0.00 0.00 36.82 36.89 2jrl h ILE 20 CO 0.05 0.75 -0.15 0.25 -0.69 0.00 0.00 178.15 178.36 2jrl h LEU 21 N 0.14 0.48 -1.38 1.44 5.85 -1.37 -2.80 115.31 117.68 2jrl h LEU 21 Ca -0.05 -0.45 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 2jrl h LEU 21 Cb 1.51 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 2jrl h LEU 21 CO 0.14 0.83 -0.21 -0.08 -0.34 0.00 0.00 178.44 178.78 2jrl h GLU 22 N 0.14 0.00 -0.25 1.25 4.22 -1.21 -1.67 114.58 117.06 2jrl h GLU 22 Ca 0.04 0.00 -0.16 0.00 0.08 0.00 0.00 59.36 59.32 2jrl h GLU 22 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2jrl h GLU 22 CO 0.04 0.21 -0.49 1.49 -2.18 0.00 0.00 179.01 178.08 2jrl h GLU 23 N 0.00 0.69 0.00 1.92 4.81 -1.30 -2.64 114.58 118.05 2jrl h GLU 23 Ca -0.00 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2jrl h GLU 23 Cb 0.62 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.03 2jrl h GLU 23 CO 0.03 1.02 0.00 0.39 -0.73 0.00 0.00 179.01 179.71 2jrl n GLU 24 N -4.00 0.81 -0.06 1.92 4.71 -1.07 -4.82 120.64 118.13 2jrl n GLU 24 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 2jrl n GLU 24 Cb 0.58 -1.38 0.00 0.00 -1.01 0.00 0.00 31.44 29.63 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 0.55 0.64 3.79 0.62 0.00 -0.99 -5.06 105.19 104.73 2jrl n GLY 25 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.28 2.14 -0.58 1.61 2.02 -0.65 -4.96 117.35 114.65 2jrl s TYR 26 Ca 0.00 0.73 0.03 0.00 -0.37 0.00 0.00 57.07 57.46 2jrl s TYR 26 Cb 0.00 -3.50 0.14 0.00 -0.40 0.00 0.00 41.96 38.20 2jrl s TYR 26 CO 0.00 -2.58 0.34 -1.01 -1.57 0.00 0.00 175.55 170.73 2jrl s HIS 27 N -3.34 3.30 0.43 2.71 3.76 -0.79 -3.86 115.29 117.50 2jrl s HIS 27 Ca 0.66 -3.17 -0.24 0.00 -0.15 0.00 0.00 55.06 52.16 2jrl s HIS 27 Cb -0.12 -2.84 -0.08 0.00 1.11 0.00 0.00 32.58 30.64 2jrl s HIS 27 CO 0.53 -0.71 1.17 -1.25 -0.85 0.00 0.00 174.74 173.64 2jrl s PRO 28 N -0.56 3.88 0.13 8.40 0.04 -1.25 -2.79 135.00 142.86 2jrl s PRO 28 Ca 0.19 1.82 0.02 0.00 0.04 0.00 0.00 61.00 63.07 2jrl s PRO 28 Cb -0.20 -2.53 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 2jrl s PRO 28 CO -0.04 -0.46 -0.04 -0.51 0.04 0.00 0.00 177.00 175.99 2jrl s ASP 29 N -1.24 1.23 0.03 6.66 1.11 -1.05 -4.94 116.67 118.47 2jrl s ASP 29 Ca 0.61 -1.08 0.05 0.00 0.18 0.00 0.00 52.55 52.31 2jrl s ASP 29 Cb -0.30 0.10 -0.02 0.00 1.07 0.00 0.00 42.92 43.77 2jrl s ASP 29 CO 0.37 -0.49 -0.15 0.42 1.18 0.00 0.00 175.17 176.49 2jrl s THR 30 N -3.61 1.21 -0.14 -1.27 -4.23 -1.24 -0.41 115.64 105.96 2jrl s THR 30 Ca 0.17 -0.94 -0.06 0.00 -1.18 0.00 0.00 61.69 59.68 2jrl s THR 30 Cb 0.05 -1.07 0.06 0.00 1.34 0.00 0.00 72.50 72.89 2jrl s THR 30 CO -0.01 0.11 0.31 0.00 -0.54 0.00 0.00 174.62 174.49 2jrl s ALA 31 N -0.72 -0.73 -0.90 3.99 0.00 -1.13 -4.96 121.76 117.32 2jrl s ALA 31 Ca 0.04 1.13 0.25 0.00 0.00 0.00 0.00 51.96 53.37 2jrl s ALA 31 Cb -0.07 -0.97 0.42 0.00 0.00 0.00 0.00 23.12 22.50 2jrl s ALA 31 CO 0.01 -0.51 1.35 0.36 0.00 0.00 0.00 175.76 176.97 2jrl n LYS 32 N 4.95 0.08 -3.87 0.00 0.00 -1.26 -1.89 118.16 116.17 2jrl n LYS 32 Ca -0.13 0.02 -0.12 0.00 -0.00 0.00 0.00 58.31 58.07 2jrl n LYS 32 Cb 0.51 -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 -3.05 -0.00 0.01 0.58 -4.23 -1.26 -4.67 115.64 103.02 2jrl s THR 33 Ca 0.09 0.01 -0.25 0.00 -1.18 0.00 0.00 61.69 60.37 2jrl s THR 33 Cb 0.16 -0.02 -0.18 0.00 1.34 0.00 0.00 72.50 73.81 2jrl s THR 33 CO 0.72 0.01 1.35 -0.07 -0.54 0.00 0.00 174.62 176.08 2jrl h LEU 34 N 6.23 -0.18 -1.35 4.79 -0.00 -1.95 -2.86 115.31 119.98 2jrl h LEU 34 Ca -0.26 -0.24 0.43 0.00 -0.00 0.00 0.00 57.88 57.82 2jrl h LEU 34 Cb 1.20 0.05 -0.13 0.00 -0.00 0.00 0.00 40.66 41.78 2jrl h LEU 34 CO 0.51 0.16 0.82 0.08 -0.00 0.00 0.00 178.44 180.00 2jrl h ARG 35 N -0.53 0.08 -0.09 1.13 -0.00 -1.99 1.29 114.38 114.27 2jrl h ARG 35 Ca -0.02 -0.00 -0.23 0.00 -0.00 0.00 0.00 59.98 59.72 2jrl h ARG 35 Cb 0.41 -0.02 0.01 0.00 -0.00 0.00 0.00 29.97 30.37 2jrl h ARG 35 CO 0.04 0.05 -0.86 1.49 -0.00 0.00 0.00 179.97 180.68 2jrl h GLU 36 N 0.08 0.68 0.00 0.08 4.57 -1.96 -2.74 114.58 115.30 2jrl h GLU 36 Ca 0.83 -0.62 -0.02 0.00 -1.18 0.00 0.00 59.36 58.36 2jrl h GLU 36 Cb 2.54 0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 31.27 2jrl h GLU 36 CO -0.46 1.23 -0.11 0.00 -1.18 0.00 0.00 179.01 178.49 2jrl h ALA 37 N 0.58 0.98 0.14 2.92 0.00 0.16 -3.12 119.26 120.93 2jrl h ALA 37 Ca -0.07 -0.10 -0.26 0.00 0.00 0.00 0.00 54.91 54.48 2jrl h ALA 37 Cb 1.49 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 19.29 2jrl h ALA 37 CO 0.17 0.13 -1.10 0.93 0.00 0.00 0.00 179.25 179.38 2jrl h GLU 38 N 0.00 0.50 -0.01 0.00 5.08 -0.35 -1.65 114.58 118.15 2jrl h GLU 38 Ca -0.00 -0.72 0.01 0.00 -1.00 0.00 0.00 59.36 57.65 2jrl h GLU 38 Cb 0.75 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2jrl h GLU 38 CO 0.01 1.32 -0.04 -0.22 -1.00 0.00 0.00 179.01 179.08 2jrl h LYS 39 N 0.03 -0.07 -0.07 2.33 1.63 -1.45 -2.17 116.57 116.79 2jrl h LYS 39 Ca -0.18 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.48 2jrl h LYS 39 Cb 1.82 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 33.46 2jrl h LYS 39 CO 0.21 -0.05 -0.60 1.57 -3.45 0.00 0.00 179.45 177.14 2jrl h LYS 40 N -0.07 0.24 -0.99 1.90 2.10 -1.66 -2.70 116.57 115.39 2jrl h LYS 40 Ca 0.02 -0.17 0.08 0.00 -2.00 0.00 0.00 60.65 58.59 2jrl h LYS 40 Cb 0.10 0.02 -0.07 0.00 -0.90 0.00 0.00 32.23 31.39 2jrl h LYS 40 CO -0.06 0.77 0.63 0.82 -2.00 0.00 0.00 179.45 179.62 2jrl h ILE 41 N 0.18 1.04 -0.05 0.07 2.04 -0.93 0.66 117.51 120.52 2jrl h ILE 41 Ca -0.01 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2jrl h ILE 41 Cb 1.10 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2jrl h ILE 41 CO 0.09 0.20 0.00 0.29 0.00 0.00 0.00 178.15 178.74 2jrl n LYS 42 N -4.55 1.79 -0.00 2.37 5.02 -0.85 -3.68 118.16 118.26 2jrl n LYS 42 Ca 0.16 -1.15 0.09 0.00 -2.02 0.00 0.00 58.31 55.39 2jrl n LYS 42 Cb 0.23 -1.47 0.07 0.00 -0.02 0.00 0.00 35.03 33.84 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 0.39 1.40 -3.83 1.97 0.28 0.11 -5.01 120.64 115.96 2jrl n GLU 43 Ca 0.18 -1.53 -0.08 0.00 -0.16 0.00 0.00 57.16 55.57 2jrl n GLU 43 Cb 0.39 -1.33 -0.03 0.00 1.43 0.00 0.00 31.44 31.90 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 -1.44 -0.15 -0.24 -1.84 2.34 -0.54 -5.03 118.68 111.78 2jrl s LEU 44 Ca 0.20 -0.59 -0.15 0.00 0.06 0.00 0.00 54.13 53.65 2jrl s LEU 44 Cb 0.14 2.49 -0.04 0.00 -0.56 0.00 0.00 46.19 48.22 2jrl s LEU 44 CO 0.22 -1.24 0.35 0.12 -1.06 0.00 0.00 176.35 174.73 2jrl s PHE 45 N -3.91 3.31 -0.15 3.48 2.19 -1.26 -4.77 117.98 116.86 2jrl s PHE 45 Ca 0.12 0.47 0.00 0.00 0.33 0.00 0.00 56.93 57.85 2jrl s PHE 45 Cb -0.04 -2.51 0.02 0.00 -1.31 0.00 0.00 43.02 39.18 2jrl s PHE 45 CO 0.04 -0.09 -0.14 -0.59 1.83 0.00 0.00 175.22 176.27 2jrl s PHE 46 N 1.60 2.17 -0.02 10.12 -0.71 -1.26 -4.91 117.98 124.97 2jrl s PHE 46 Ca 0.16 -1.24 -0.22 0.00 -1.04 0.00 0.00 56.93 54.59 2jrl s PHE 46 Cb -0.15 -1.59 -0.15 0.00 -1.21 0.00 0.00 43.02 39.92 2jrl s PHE 46 CO 0.08 -0.67 1.01 -1.00 -1.34 0.00 0.00 175.22 173.30 2jrl h PRO 47 N 8.05 -0.38 -4.37 1.99 0.13 -1.95 -3.45 132.00 132.03 2jrl h PRO 47 Ca -0.37 0.03 -0.37 0.00 -0.87 0.00 0.00 66.00 64.42 2jrl h PRO 47 Cb 1.13 0.09 -0.30 0.00 0.13 0.00 0.00 31.00 32.05 2jrl h PRO 47 CO 0.52 -0.03 -0.77 0.14 -0.23 0.00 0.00 178.00 177.63 2jrl s VAL 48 N -4.01 0.53 0.03 1.56 -7.23 -1.24 -2.83 120.40 107.21 2jrl s VAL 48 Ca -0.13 -0.25 0.03 0.00 -1.81 0.00 0.00 61.98 59.82 2jrl s VAL 48 Cb 0.01 -0.47 -0.02 0.00 0.56 0.00 0.00 36.38 36.46 2jrl s VAL 48 CO 0.47 0.17 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.71 2jrl s ILE 49 N 0.11 0.61 -0.17 -0.62 1.01 -0.67 -3.46 121.20 118.01 2jrl s ILE 49 Ca -0.01 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 2jrl s ILE 49 Cb -0.06 -0.62 -0.01 0.00 0.01 0.00 0.00 42.46 41.78 2jrl s ILE 49 CO -0.00 -0.21 -0.09 -0.69 0.00 0.00 0.00 174.94 173.95 2jrl s VAL 50 N -1.01 3.21 -0.16 2.92 1.01 0.67 -0.72 120.40 126.31 2jrl s VAL 50 Ca -0.05 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 2jrl s VAL 50 Cb -0.08 -2.40 0.05 0.00 0.00 0.00 0.00 36.38 33.95 2jrl s VAL 50 CO 0.00 0.48 0.02 -0.22 0.00 0.00 0.00 175.10 175.38 2jrl s LEU 51 N 0.88 1.05 0.97 3.92 2.96 -0.08 0.45 118.68 128.83 2jrl s LEU 51 Ca -0.02 -0.60 -0.13 0.00 -0.22 0.00 0.00 54.13 53.15 2jrl s LEU 51 Cb -0.15 -0.58 0.17 0.00 0.50 0.00 0.00 46.19 46.13 2jrl s LEU 51 CO 0.00 -0.26 1.13 1.51 -1.32 0.00 0.00 176.35 177.41 2jrl s ASP 52 N 1.87 2.91 -0.13 3.68 1.47 -1.13 -3.45 116.67 121.89 2jrl s ASP 52 Ca 0.01 0.98 -0.25 0.00 1.18 0.00 0.00 52.55 54.47 2jrl s ASP 52 Cb -0.16 -1.53 -0.26 0.00 -0.34 0.00 0.00 42.92 40.63 2jrl s ASP 52 CO -0.07 -2.93 0.66 0.58 0.68 0.00 0.00 175.17 174.09 2jrl h VAL 53 N -1.76 1.49 -0.09 2.11 2.07 -0.66 -3.33 116.25 116.09 2jrl h VAL 53 Ca -0.51 -2.36 -0.00 0.00 0.82 0.00 0.00 66.70 64.65 2jrl h VAL 53 Cb 1.33 3.06 -0.00 0.00 -1.52 0.00 0.00 31.29 34.15 2jrl h VAL 53 CO 0.57 0.58 0.00 1.87 0.02 0.00 0.00 177.57 180.62 2jrl n TRP 54 N -4.41 0.90 -4.69 1.57 -0.00 -1.26 -3.49 117.44 106.06 2jrl n TRP 54 Ca -0.17 -0.16 -0.31 0.00 -0.00 0.00 0.00 57.50 56.86 2jrl n TRP 54 Cb 0.63 -2.61 -0.12 0.00 -0.00 0.00 0.00 31.31 29.20 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 8.57 2.24 -0.02 5.87 -1.94 -1.26 -4.60 119.30 128.16 2jrl s MET 55 Ca 0.82 -0.88 -0.25 0.00 -1.71 0.00 0.00 55.69 53.67 2jrl s MET 55 Cb -0.05 -2.27 -0.19 0.00 2.01 0.00 0.00 34.83 34.32 2jrl s MET 55 CO 0.19 0.57 1.21 -1.00 -0.01 0.00 0.00 175.02 175.97 2jrl h PRO 56 N 4.71 -0.08 0.27 2.03 0.13 -1.89 -3.34 132.00 133.83 2jrl h PRO 56 Ca -0.47 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2jrl h PRO 56 Cb 1.16 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2jrl h PRO 56 CO 0.49 0.38 -0.13 0.22 -0.23 0.00 0.00 178.00 178.73 2jrl h ASP 57 N -0.58 -0.31 -4.19 1.44 3.58 -1.97 -3.48 116.42 110.93 2jrl h ASP 57 Ca -0.01 -0.13 0.14 0.00 0.42 0.00 0.00 57.03 57.45 2jrl h ASP 57 Cb 0.50 0.08 -0.20 0.00 1.72 0.00 0.00 39.33 41.42 2jrl h ASP 57 CO 0.01 -0.04 0.62 -0.83 -2.88 0.00 0.00 179.24 176.13 2jrl s GLY 58 N -2.53 -0.29 0.94 -0.78 0.00 -1.25 -5.11 107.32 98.30 2jrl s GLY 58 Ca -0.15 1.75 -0.15 0.00 0.00 0.00 0.00 44.72 46.17 2jrl s GLY 58 CO 0.60 0.75 -0.22 1.22 0.00 0.00 0.00 173.10 175.45 2jrl n ASP 59 N 0.28 -4.11 -0.01 1.64 8.00 -1.26 -4.43 116.55 116.66 2jrl n ASP 59 Ca -0.07 0.28 -0.15 0.00 0.71 0.00 0.00 54.79 55.57 2jrl n ASP 59 Cb 0.59 -0.97 -0.14 0.00 -0.02 0.00 0.00 41.12 40.58 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 2.56 -0.78 0.31 0.44 0.00 -1.23 -3.51 105.19 102.98 2jrl n GLY 60 Ca 0.03 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.96 2jrl n GLY 60 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2jrl h VAL 61 N 0.04 0.69 0.00 1.61 3.04 -1.90 0.84 116.25 120.57 2jrl h VAL 61 Ca -0.35 -0.20 -0.13 0.00 -1.01 0.00 0.00 66.70 65.01 2jrl h VAL 61 Cb 2.03 0.06 -0.02 0.00 -2.01 0.00 0.00 31.29 31.34 2jrl h VAL 61 CO 0.08 0.11 -0.62 -1.13 -1.01 0.00 0.00 177.57 175.00 2jrl h ASN 62 N 0.58 0.00 -0.41 3.17 -0.73 -1.96 -3.23 115.58 113.00 2jrl h ASN 62 Ca 0.47 0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.67 2jrl h ASN 62 Cb 0.71 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.28 2jrl h ASN 62 CO -0.39 0.62 0.28 0.15 -0.37 0.00 0.00 177.43 177.72 2jrl h PHE 63 N 0.00 0.43 -0.80 0.67 3.57 -0.88 -2.20 116.94 117.73 2jrl h PHE 63 Ca -0.01 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.66 2jrl h PHE 63 Cb 1.42 -0.14 -0.10 0.00 2.79 0.00 0.00 35.95 39.92 2jrl h PHE 63 CO 0.00 0.25 0.35 0.82 -2.23 0.00 0.00 178.31 177.51 2jrl h ILE 64 N 0.45 0.66 -1.00 1.41 2.04 -1.48 -0.96 117.51 118.63 2jrl h ILE 64 Ca 0.17 -0.17 0.35 0.00 1.00 0.00 0.00 64.86 66.20 2jrl h ILE 64 Cb 0.11 0.12 -0.18 0.00 -0.74 0.00 0.00 36.82 36.13 2jrl h ILE 64 CO -0.04 0.09 0.29 -0.78 0.00 0.00 0.00 178.15 177.71 2jrl h ASP 65 N 0.49 -0.07 -0.26 1.72 1.82 -1.60 0.83 116.42 119.34 2jrl h ASP 65 Ca 0.44 0.27 -0.07 0.00 -0.39 0.00 0.00 57.03 57.29 2jrl h ASP 65 Cb 0.68 0.38 -0.01 0.00 0.68 0.00 0.00 39.33 41.06 2jrl h ASP 65 CO -0.41 -0.39 -0.10 0.15 -1.61 0.00 0.00 179.24 176.88 2jrl h PHE 66 N 0.01 0.60 0.06 0.28 3.57 -1.35 -2.87 116.94 117.24 2jrl h PHE 66 Ca 0.73 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 62.08 2jrl h PHE 66 Cb 1.74 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.34 2jrl h PHE 66 CO -0.25 0.77 -0.03 0.82 -2.23 0.00 0.00 178.31 177.39 2jrl h ILE 67 N 0.27 0.96 0.00 1.41 2.04 0.54 -1.16 117.51 121.57 2jrl h ILE 67 Ca 0.06 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2jrl h ILE 67 Cb 0.60 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 2jrl h ILE 67 CO 0.03 0.02 0.00 0.29 0.00 0.00 0.00 178.15 178.49 2jrl n LYS 68 N -5.11 0.04 -0.01 2.37 4.76 0.57 0.13 118.16 120.92 2jrl n LYS 68 Ca -0.08 0.52 -0.21 0.00 -2.87 0.00 0.00 58.31 55.67 2jrl n LYS 68 Cb 0.08 -1.64 -0.14 0.00 -1.84 0.00 0.00 35.03 31.49 2jrl n LYS 68 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2jrl n GLU 69 N -1.73 0.75 -0.53 1.97 2.13 -0.52 -3.97 120.64 118.74 2jrl n GLU 69 Ca -0.00 0.26 0.04 0.00 0.66 0.00 0.00 57.16 58.11 2jrl n GLU 69 Cb 0.02 -1.70 0.21 0.00 0.27 0.00 0.00 31.44 30.24 2jrl n GLU 69 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2jrl n ASN 70 N -3.49 2.72 0.00 4.31 0.23 -0.60 -4.78 115.26 113.66 2jrl n ASN 70 Ca -0.33 -3.46 0.00 0.00 -0.53 0.00 0.00 54.58 50.26 2jrl n ASN 70 Cb 1.04 -0.56 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 -1.02 0.00 -0.11 0.53 2.88 0.35 -4.99 113.62 111.26 2jrl n SER 71 Ca 0.25 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 0.85 0.00 -1.46 0.13 -1.69 -2.85 132.00 126.98 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 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 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 9.92 -1.26 -4.82 116.55 112.87 2jrl n ASP 73 Ca -0.03 0.06 -0.33 0.00 -0.53 0.00 0.00 54.79 53.97 2jrl n ASP 73 Cb 0.52 -0.33 -0.02 0.00 -0.64 0.00 0.00 41.12 40.64 2jrl n ASP 73 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2jrl s SER 74 N -2.67 6.35 -0.11 -2.24 0.15 -1.07 -4.97 113.70 109.13 2jrl s SER 74 Ca 0.21 1.73 0.02 0.00 0.70 0.00 0.00 55.95 58.60 2jrl s SER 74 Cb 0.16 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.96 2jrl s SER 74 CO 0.39 -0.78 -0.16 -0.69 1.20 0.00 0.00 173.24 173.20 2jrl s VAL 75 N -2.40 1.60 0.07 4.45 1.01 -1.13 -5.01 120.40 118.98 2jrl s VAL 75 Ca 0.62 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 62.00 2jrl s VAL 75 Cb -0.13 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 2jrl s VAL 75 CO 0.29 0.46 -0.26 -0.69 0.00 0.00 0.00 175.10 174.90 2jrl s VAL 76 N 0.97 2.10 -0.18 2.92 1.01 -1.12 -1.67 120.40 124.44 2jrl s VAL 76 Ca -0.06 -1.46 -0.05 0.00 0.00 0.00 0.00 61.98 60.41 2jrl s VAL 76 Cb -0.15 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 2jrl s VAL 76 CO -0.02 0.27 -0.01 -0.63 0.00 0.00 0.00 175.10 174.72 2jrl s ILE 77 N -0.87 4.05 -0.23 2.22 1.09 0.10 -1.46 121.20 126.09 2jrl s ILE 77 Ca 0.12 -0.29 -0.10 0.00 -1.10 0.00 0.00 60.65 59.27 2jrl s ILE 77 Cb -0.10 -2.81 -0.05 0.00 -1.06 0.00 0.00 42.46 38.44 2jrl s ILE 77 CO 0.03 0.46 0.15 -0.69 -0.10 0.00 0.00 174.94 174.79 2jrl s VAL 78 N 0.67 5.31 0.01 2.92 1.01 -1.19 -0.91 120.40 128.23 2jrl s VAL 78 Ca -0.00 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.17 2jrl s VAL 78 Cb -0.14 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 2jrl s VAL 78 CO 0.02 0.36 -0.10 0.27 0.00 0.00 0.00 175.10 175.65 2jrl s ILE 79 N 0.97 0.79 -0.10 2.22 -4.36 -1.22 -3.24 121.20 116.25 2jrl s ILE 79 Ca 0.07 -0.65 -0.15 0.00 -0.26 0.00 0.00 60.65 59.66 2jrl s ILE 79 Cb -0.13 -0.70 0.04 0.00 1.25 0.00 0.00 42.46 42.91 2jrl s ILE 79 CO 0.04 0.06 0.39 0.28 0.24 0.00 0.00 174.94 175.95 2jrl s THR 80 N -0.55 0.02 -0.19 8.37 -1.32 -1.16 0.15 115.64 120.95 2jrl s THR 80 Ca 0.01 -0.16 0.19 0.00 -1.21 0.00 0.00 61.69 60.52 2jrl s THR 80 Cb -0.06 -0.61 -0.02 0.00 -1.51 0.00 0.00 72.50 70.31 2jrl s THR 80 CO 0.00 -0.09 1.07 1.23 -2.21 0.00 0.00 174.62 174.62 2jrl h GLY 81 N 4.80 0.00 2.00 6.08 0.00 -1.89 -2.46 103.07 111.60 2jrl h GLY 81 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2jrl h GLY 81 CO 0.31 0.00 -0.06 0.45 0.00 0.00 0.00 176.54 177.24 2jrl h HIS 82 N 0.00 0.00 -2.93 5.60 3.86 -1.99 -3.43 115.15 116.26 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 1.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.80 2jrl h HIS 82 CO 0.00 0.06 -0.70 0.41 0.86 0.00 0.00 177.93 178.56 2jrl n GLY 83 N -1.26 -4.46 0.00 2.45 0.00 -1.25 -5.09 105.19 95.59 2jrl n GLY 83 Ca -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.22 0.00 -0.16 1.61 2.88 -1.26 -5.05 113.62 111.42 2jrl n SER 84 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 2jrl n SER 84 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 1.25 0.79 2.46 3.04 -1.98 -0.58 116.25 121.23 2jrl h VAL 85 Ca 0.00 -0.96 -0.04 0.00 -1.01 0.00 0.00 66.70 64.70 2jrl h VAL 85 Cb 0.00 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.25 2jrl h VAL 85 CO 0.00 0.34 -0.42 0.44 -1.01 0.00 0.00 177.57 176.92 2jrl h ASP 86 N 0.65 -1.01 0.04 3.17 3.32 -2.00 -1.55 116.42 119.02 2jrl h ASP 86 Ca 0.14 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 2jrl h ASP 86 Cb 0.43 0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 2jrl h ASP 86 CO 0.01 -0.68 -0.03 0.74 -1.72 0.00 0.00 179.24 177.56 2jrl h THR 87 N -1.11 0.94 0.01 0.35 2.02 -1.97 -2.60 112.91 110.56 2jrl h THR 87 Ca -0.11 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 2jrl h THR 87 Cb 0.87 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 2jrl h THR 87 CO 0.15 0.03 -0.01 0.00 0.37 0.00 0.00 175.52 176.07 2jrl h ALA 88 N 1.97 -0.02 0.44 6.16 0.00 -0.69 -2.06 119.26 125.06 2jrl h ALA 88 Ca -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2jrl h ALA 88 Cb 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2jrl h ALA 88 CO 0.00 -0.40 -0.50 0.28 0.00 0.00 0.00 179.25 178.63 2jrl h VAL 89 N -0.24 0.02 -0.35 0.00 2.07 -0.90 -0.77 116.25 116.07 2jrl h VAL 89 Ca -0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 2jrl h VAL 89 Cb 0.24 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 2jrl h VAL 89 CO 0.00 0.00 0.37 0.07 0.02 0.00 0.00 177.57 178.03 2jrl h LYS 90 N -0.96 0.00 0.00 1.57 2.10 -1.57 0.73 116.57 118.43 2jrl h LYS 90 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 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 -0.10 0.00 -0.12 0.00 -2.00 0.00 0.00 179.45 177.23 2jrl n ALA 91 N -2.36 2.44 0.02 0.07 0.00 -0.41 -2.98 120.51 117.29 2jrl n ALA 91 Ca 0.06 -0.08 -0.19 0.00 0.00 0.00 0.00 53.44 53.22 2jrl n ALA 91 Cb 0.53 -1.41 -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 0.77 0.00 0.00 1.08 0.17 -2.51 117.51 117.03 2jrl h ILE 92 Ca 0.00 -2.48 0.00 0.00 -0.39 0.00 0.00 64.86 61.99 2jrl h ILE 92 Cb 0.69 2.57 0.00 0.00 -3.07 0.00 0.00 36.82 37.02 2jrl h ILE 92 CO 0.00 0.83 0.00 0.11 -0.69 0.00 0.00 178.15 178.40 2jrl h LYS 93 N 0.07 0.00 0.25 2.37 1.57 -1.50 -3.28 116.57 116.05 2jrl h LYS 93 Ca -0.37 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 2jrl h LYS 93 Cb 2.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.36 2jrl h LYS 93 CO 0.11 0.00 -0.12 -0.22 -0.57 0.00 0.00 179.45 178.65 2jrl h LYS 94 N 0.00 -0.32 0.00 3.15 1.63 -1.66 -3.47 116.57 115.90 2jrl h LYS 94 Ca 0.00 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2jrl h LYS 94 Cb 0.72 0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.42 2jrl h LYS 94 CO 0.00 -0.21 -0.01 0.41 -3.45 0.00 0.00 179.45 176.19 2jrl n GLY 95 N 0.82 -0.11 3.56 5.01 0.00 -1.24 -4.88 105.19 108.35 2jrl n GLY 95 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 0.26 4.61 0.00 -0.94 -2.78 121.76 126.42 2jrl s ALA 96 Ca 0.00 -1.18 0.08 0.00 0.00 0.00 0.00 51.96 50.86 2jrl s ALA 96 Cb 0.00 -2.61 0.31 0.00 0.00 0.00 0.00 23.12 20.82 2jrl s ALA 96 CO 0.00 -0.77 1.59 -0.92 0.00 0.00 0.00 175.76 175.66 2jrl h TYR 97 N 8.40 0.13 -2.50 0.00 3.20 -1.55 -3.41 116.97 121.23 2jrl h TYR 97 Ca -0.33 -0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.40 2jrl h TYR 97 Cb 1.17 -0.02 -0.20 0.00 1.54 0.00 0.00 36.73 39.21 2jrl h TYR 97 CO 0.72 0.69 -0.05 -2.00 -1.64 0.00 0.00 178.16 175.87 2jrl s GLU 98 N -3.67 0.81 -0.27 1.82 2.56 -1.26 -5.09 118.70 113.60 2jrl s GLU 98 Ca -0.02 0.19 -0.03 0.00 0.00 0.00 0.00 54.97 55.11 2jrl s GLU 98 Cb 0.12 0.38 0.03 0.00 2.00 0.00 0.00 34.13 36.66 2jrl s GLU 98 CO 0.78 -0.21 -0.01 0.12 -0.56 0.00 0.00 175.26 175.37 2jrl s PHE 99 N -0.91 3.13 -0.08 5.30 2.19 -1.26 -3.14 117.98 123.22 2jrl s PHE 99 Ca -0.09 -1.49 0.03 0.00 0.33 0.00 0.00 56.93 55.70 2jrl s PHE 99 Cb -0.03 -2.12 0.01 0.00 -1.31 0.00 0.00 43.02 39.57 2jrl s PHE 99 CO 0.06 -0.71 -0.18 -0.51 1.83 0.00 0.00 175.22 175.71 2jrl s LEU 100 N 1.35 1.87 0.00 6.12 1.43 -1.20 -5.05 118.68 123.20 2jrl s LEU 100 Ca -0.01 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 52.51 2jrl s LEU 100 Cb -0.18 -1.09 0.27 0.00 0.03 0.00 0.00 46.19 45.22 2jrl s LEU 100 CO -0.02 0.11 0.60 -0.62 0.23 0.00 0.00 176.35 176.65 2jrl n GLU 101 N 3.58 -3.82 0.23 1.70 1.02 -1.26 -3.00 120.64 119.10 2jrl n GLU 101 Ca -0.21 -1.01 -0.12 0.00 -0.02 0.00 0.00 57.16 55.81 2jrl n GLU 101 Cb 0.52 -1.35 -0.06 0.00 -0.02 0.00 0.00 31.44 30.53 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 -0.67 -6.48 3.49 1.79 -1.71 -3.41 116.57 109.59 2jrl h LYS 102 Ca -0.27 0.05 -0.53 0.00 -2.18 0.00 0.00 60.65 57.71 2jrl h LYS 102 Cb 0.92 0.15 0.01 0.00 -1.58 0.00 0.00 32.23 31.74 2jrl h LYS 102 CO 0.16 -0.45 0.77 -1.25 -1.08 0.00 0.00 179.45 177.60 2jrl s PRO 103 N -4.78 4.31 0.02 3.15 0.04 -1.26 -4.98 135.00 131.50 2jrl s PRO 103 Ca -0.11 2.03 -0.18 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 0.37 -0.49 0.40 -0.59 0.04 0.00 0.00 177.00 176.73 2jrl s PHE 104 N 1.65 -0.26 0.09 0.56 -0.12 -1.26 -5.11 117.98 113.53 2jrl s PHE 104 Ca 0.64 0.28 0.04 0.00 -0.05 0.00 0.00 56.93 57.85 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 -0.52 0.04 -1.12 -0.05 0.00 0.00 175.22 173.86 2jrl s SER 105 N -1.77 5.25 0.56 1.98 0.01 -1.26 -4.95 113.70 113.51 2jrl s SER 105 Ca -0.08 -0.12 0.33 0.00 1.31 0.00 0.00 55.95 57.39 2jrl s SER 105 Cb -0.02 -1.32 1.48 0.00 0.21 0.00 0.00 66.02 66.37 2jrl s SER 105 CO 0.00 0.16 1.82 1.62 0.41 0.00 0.00 173.24 177.26 2jrl h VAL 106 N 2.69 0.41 -0.06 3.43 3.04 -2.02 0.45 116.25 124.19 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 1.17 0.48 -0.00 0.00 -2.01 0.00 0.00 31.29 30.92 2jrl h VAL 106 CO 0.62 0.00 0.03 -0.08 -1.01 0.00 0.00 177.57 177.14 2jrl h GLU 107 N 0.00 0.09 0.00 4.17 4.81 -1.99 0.26 114.58 121.92 2jrl h GLU 107 Ca 0.43 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.45 2jrl h GLU 107 Cb 1.88 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 31.21 2jrl h GLU 107 CO -0.00 0.14 -1.14 -0.09 -0.73 0.00 0.00 179.01 177.19 2jrl h ARG 108 N 0.01 0.00 -0.06 1.92 9.65 -1.31 -3.06 114.38 121.53 2jrl h ARG 108 Ca 0.02 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 2jrl h ARG 108 Cb 0.08 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.66 2jrl h ARG 108 CO -0.00 0.65 -0.06 0.35 2.80 0.00 0.00 179.97 183.70 2jrl h PHE 109 N 0.00 0.19 -0.60 2.20 3.04 -0.13 -2.71 116.94 118.93 2jrl h PHE 109 Ca -0.10 -0.06 -0.08 0.00 3.98 0.00 0.00 57.97 61.71 2jrl h PHE 109 Cb 1.72 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 40.17 2jrl h PHE 109 CO 0.00 0.61 0.05 1.37 -2.02 0.00 0.00 178.31 178.31 2jrl h LEU 110 N -0.29 0.97 -1.71 0.59 8.10 -0.61 -2.58 115.31 119.78 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 0.58 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 40.53 2jrl h LEU 110 CO 0.02 1.00 0.08 0.25 -4.11 0.00 0.00 178.44 175.68 2jrl h LEU 111 N 0.94 0.23 -0.02 0.17 6.46 -1.55 -1.64 115.31 119.91 2jrl h LEU 111 Ca 0.18 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.92 2jrl h LEU 111 Cb 0.48 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.35 2jrl h LEU 111 CO 0.02 0.22 0.00 0.74 -0.62 0.00 0.00 178.44 178.80 2jrl h THR 112 N 0.27 1.20 0.71 1.05 2.02 -1.12 -2.46 112.91 114.57 2jrl h THR 112 Ca 0.07 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 2jrl h THR 112 Cb 0.05 1.55 0.01 0.00 -1.74 0.00 0.00 68.15 68.03 2jrl h THR 112 CO -0.01 0.15 -0.34 0.40 0.37 0.00 0.00 175.52 176.09 2jrl h ILE 113 N -0.21 0.15 -0.93 3.11 1.08 -1.40 0.27 117.51 119.59 2jrl h ILE 113 Ca 0.01 -0.23 0.26 0.00 -0.39 0.00 0.00 64.86 64.51 2jrl h ILE 113 Cb 0.25 0.20 -0.16 0.00 -3.07 0.00 0.00 36.82 34.03 2jrl h ILE 113 CO 0.00 0.02 0.15 0.50 -0.69 0.00 0.00 178.15 178.12 2jrl h LYS 114 N -1.15 0.08 0.00 2.37 3.64 -1.39 0.96 116.57 121.09 2jrl h LYS 114 Ca -0.10 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.11 2jrl h LYS 114 Cb 0.76 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 2jrl h LYS 114 CO 0.16 0.06 -0.79 0.45 -2.27 0.00 0.00 179.45 177.06 2jrl h HIS 115 N 0.09 0.00 -0.66 1.91 3.86 -1.36 -3.11 115.15 115.88 2jrl h HIS 115 Ca 0.59 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.90 2jrl h HIS 115 Cb 1.24 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.64 2jrl h HIS 115 CO -0.36 0.79 0.28 0.00 0.86 0.00 0.00 177.93 179.50 2jrl h ALA 116 N 1.21 0.88 0.20 2.45 0.00 0.47 -0.65 119.26 123.82 2jrl h ALA 116 Ca -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2jrl h ALA 116 Cb 1.49 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2jrl h ALA 116 CO 0.10 -0.14 -0.10 0.74 0.00 0.00 0.00 179.25 179.86 2jrl h PHE 117 N 0.48 -0.25 -0.95 0.00 -1.00 -1.47 -2.50 116.94 111.25 2jrl h PHE 117 Ca 0.33 -0.01 0.26 0.00 2.81 0.00 0.00 57.97 61.37 2jrl h PHE 117 Cb 0.40 0.08 -0.18 0.00 3.61 0.00 0.00 35.95 39.86 2jrl h PHE 117 CO -0.14 -0.16 0.02 0.39 -1.61 0.00 0.00 178.31 176.81 2jrl n GLU 118 N -4.22 -0.08 0.04 1.51 1.02 -1.18 0.22 120.64 117.96 2jrl n GLU 118 Ca -0.03 1.42 -0.13 0.00 -0.02 0.00 0.00 57.16 58.40 2jrl n GLU 118 Cb 0.11 -2.26 -0.09 0.00 -0.02 0.00 0.00 31.44 29.18 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 -0.08 -0.95 3.49 4.81 -1.21 -3.01 114.58 117.62 2jrl h GLU 119 Ca 0.58 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.96 2jrl h GLU 119 Cb 1.19 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.51 2jrl h GLU 119 CO -0.89 0.21 0.60 -0.92 -0.73 0.00 0.00 179.01 177.28 2jrl h TYR 120 N -0.37 0.96 0.00 0.92 3.20 0.25 -3.51 116.97 118.41 2jrl h TYR 120 Ca -0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2jrl h TYR 120 Cb 0.33 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2jrl h TYR 120 CO 0.02 0.34 0.00 0.45 -1.64 0.00 0.00 178.16 177.33