#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 2.66 -2.77 2.12 4.76 -1.26 -4.77 118.16 118.90 2jrl n LYS 2 Ca 0.00 -2.68 -0.43 0.00 -2.87 0.00 0.00 58.31 52.34 2jrl n LYS 2 Cb 0.00 -2.20 -0.04 0.00 -1.84 0.00 0.00 35.03 30.95 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 -2.17 3.34 -0.00 1.97 0.52 -1.26 -1.81 118.95 119.53 2jrl s ARG 3 Ca 0.57 -0.21 0.07 0.00 -0.52 0.00 0.00 55.73 55.64 2jrl s ARG 3 Cb 0.38 -4.07 -0.02 0.00 0.52 0.00 0.00 34.95 31.75 2jrl s ARG 3 CO -0.25 -1.61 -0.23 0.08 0.02 0.00 0.00 175.30 173.31 2jrl s VAL 4 N 4.30 2.32 -0.17 3.52 1.01 -1.06 -3.79 120.40 126.53 2jrl s VAL 4 Ca 0.32 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 61.19 2jrl s VAL 4 Cb -0.12 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.42 2jrl s VAL 4 CO 0.19 0.51 -0.16 -0.22 0.00 0.00 0.00 175.10 175.41 2jrl s LEU 5 N -0.87 2.04 -0.40 3.92 2.96 -1.23 -2.40 118.68 122.71 2jrl s LEU 5 Ca 0.11 -0.65 -0.17 0.00 -0.22 0.00 0.00 54.13 53.20 2jrl s LEU 5 Cb -0.10 -1.35 0.01 0.00 0.50 0.00 0.00 46.19 45.25 2jrl s LEU 5 CO 0.01 -0.05 0.45 -0.69 -1.32 0.00 0.00 176.35 174.75 2jrl s VAL 6 N 1.37 5.08 -0.34 1.68 1.01 0.56 -0.59 120.40 129.16 2jrl s VAL 6 Ca 0.04 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 61.71 2jrl s VAL 6 Cb -0.14 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 2jrl s VAL 6 CO -0.11 -0.35 0.35 -0.69 0.00 0.00 0.00 175.10 174.30 2jrl s VAL 7 N 2.19 5.18 -0.29 2.92 1.01 0.18 -2.56 120.40 129.04 2jrl s VAL 7 Ca 0.13 0.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.96 2jrl s VAL 7 Cb -0.17 -3.82 0.12 0.00 0.00 0.00 0.00 36.38 32.52 2jrl s VAL 7 CO 0.14 -0.09 0.88 -0.62 0.00 0.00 0.00 175.10 175.41 2jrl s ASP 8 N 1.73 -0.65 0.00 3.32 -1.08 0.25 -2.85 116.67 117.40 2jrl s ASP 8 Ca 0.11 1.06 0.02 0.00 -0.52 0.00 0.00 52.55 53.22 2jrl s ASP 8 Cb -0.17 1.24 0.13 0.00 -1.46 0.00 0.00 42.92 42.67 2jrl s ASP 8 CO 0.12 -0.17 0.66 -0.90 0.52 0.00 0.00 175.17 175.39 2jrl n ASP 9 N 3.73 0.00 -4.12 -0.34 5.75 -1.26 -4.27 116.55 116.05 2jrl n ASP 9 Ca -0.18 -1.01 -0.37 0.00 -0.01 0.00 0.00 54.79 53.21 2jrl n ASP 9 Cb 0.58 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.59 2jrl n ASP 9 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2jrl s GLU 10 N -2.00 2.91 0.61 0.11 2.56 -1.26 -4.90 118.70 116.73 2jrl s GLU 10 Ca 0.03 -2.80 0.31 0.00 0.00 0.00 0.00 54.97 52.52 2jrl s GLU 10 Cb 0.02 -3.87 1.75 0.00 2.00 0.00 0.00 34.13 34.02 2jrl s GLU 10 CO 0.03 -1.22 2.11 1.49 -0.56 0.00 0.00 175.26 177.11 2jrl h GLU 11 N 6.72 0.00 -0.61 4.30 4.81 -1.99 -0.79 114.58 127.02 2jrl h GLU 11 Ca 0.06 0.00 -0.06 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 30.27 2jrl h GLU 11 CO 0.76 0.00 0.15 0.77 -0.73 0.00 0.00 179.01 179.97 2jrl h SER 12 N 0.00 0.93 0.12 1.04 0.02 -1.95 -1.09 113.55 112.62 2jrl h SER 12 Ca 0.07 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 2jrl h SER 12 Cb 0.46 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2jrl h SER 12 CO -0.00 0.92 -0.06 0.40 -1.14 0.00 0.00 176.83 176.95 2jrl h ILE 13 N 0.89 0.47 -1.00 3.27 1.08 -1.58 -3.27 117.51 117.38 2jrl h ILE 13 Ca 0.19 -1.16 0.25 0.00 -0.39 0.00 0.00 64.86 63.75 2jrl h ILE 13 Cb 0.35 0.84 -0.08 0.00 -3.07 0.00 0.00 36.82 34.86 2jrl h ILE 13 CO 0.00 0.14 0.65 0.71 -0.69 0.00 0.00 178.15 178.97 2jrl h THR 14 N -1.00 0.58 -0.86 -0.27 1.35 -1.50 0.19 112.91 111.40 2jrl h THR 14 Ca -0.02 -0.14 0.02 0.00 -0.55 0.00 0.00 66.41 65.73 2jrl h THR 14 Cb 0.35 0.13 -0.05 0.00 -1.73 0.00 0.00 68.15 66.86 2jrl h THR 14 CO 0.03 0.07 0.56 -1.28 -0.25 0.00 0.00 175.52 174.65 2jrl h SER 15 N 0.41 0.94 0.11 5.36 0.87 -1.28 0.17 113.55 120.12 2jrl h SER 15 Ca 0.56 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 61.10 2jrl h SER 15 Cb 1.40 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2jrl h SER 15 CO -0.26 0.66 -0.05 -1.28 -0.53 0.00 0.00 176.83 175.38 2jrl h SER 16 N 1.11 -0.12 -0.10 6.23 0.87 -0.73 -3.00 113.55 117.80 2jrl h SER 16 Ca 0.33 -0.43 0.03 0.00 -1.23 0.00 0.00 61.79 60.49 2jrl h SER 16 Cb -0.05 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2jrl h SER 16 CO -0.10 0.51 0.17 -0.07 -0.53 0.00 0.00 176.83 176.81 2jrl h LEU 17 N -0.90 0.00 -0.21 2.23 4.07 -1.13 0.10 115.31 119.47 2jrl h LEU 17 Ca -0.01 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.76 2jrl h LEU 17 Cb 0.54 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.25 2jrl h LEU 17 CO 0.02 0.00 -0.90 0.28 -1.08 0.00 0.00 178.44 176.77 2jrl h SER 18 N 0.00 0.00 -0.43 -0.43 0.02 -0.67 -2.39 113.55 109.64 2jrl h SER 18 Ca 0.05 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.87 2jrl h SER 18 Cb 0.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2jrl h SER 18 CO -0.00 0.90 -0.23 0.00 -1.14 0.00 0.00 176.83 176.35 2jrl h ALA 19 N 1.10 0.61 0.00 3.77 0.00 -0.65 -1.16 119.26 122.95 2jrl h ALA 19 Ca -0.01 -0.39 -0.22 0.00 0.00 0.00 0.00 54.91 54.29 2jrl h ALA 19 Cb 1.59 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 2jrl h ALA 19 CO 0.12 0.60 -0.94 0.82 0.00 0.00 0.00 179.25 179.86 2jrl h ILE 20 N 0.75 1.42 -0.14 0.00 1.08 -1.57 -2.56 117.51 116.50 2jrl h ILE 20 Ca 0.09 -2.49 -0.03 0.00 -0.39 0.00 0.00 64.86 62.04 2jrl h ILE 20 Cb 0.80 2.44 -0.00 0.00 -3.07 0.00 0.00 36.82 36.99 2jrl h ILE 20 CO 0.07 0.74 -0.03 0.25 -0.69 0.00 0.00 178.15 178.49 2jrl h LEU 21 N 0.20 0.28 -1.53 1.44 5.85 -1.39 -2.76 115.31 117.41 2jrl h LEU 21 Ca -0.07 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.24 2jrl h LEU 21 Cb 1.57 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 2jrl h LEU 21 CO 0.16 0.57 -0.19 -0.08 -0.34 0.00 0.00 178.44 178.56 2jrl h GLU 22 N -0.03 0.00 -0.30 1.25 4.22 -1.29 -1.72 114.58 116.72 2jrl h GLU 22 Ca 0.04 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 59.34 2jrl h GLU 22 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2jrl h GLU 22 CO 0.01 0.19 -0.36 1.49 -2.18 0.00 0.00 179.01 178.17 2jrl h GLU 23 N 0.00 0.68 0.00 1.92 4.81 -1.25 -2.47 114.58 118.26 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 0.54 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2jrl h GLU 23 CO 0.03 0.93 0.00 0.39 -0.73 0.00 0.00 179.01 179.63 2jrl n GLU 24 N -4.05 0.93 -0.06 1.92 4.71 -1.03 -4.82 120.64 118.24 2jrl n GLU 24 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 2jrl n GLU 24 Cb 0.50 -1.17 0.00 0.00 -1.01 0.00 0.00 31.44 29.76 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 0.57 0.99 3.73 0.62 0.00 -0.93 -5.05 105.19 105.13 2jrl n GLY 25 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.41 1.78 -0.55 1.61 2.02 -0.68 -4.90 117.35 114.22 2jrl s TYR 26 Ca 0.00 0.71 0.04 0.00 -0.37 0.00 0.00 57.07 57.45 2jrl s TYR 26 Cb 0.00 -3.49 0.14 0.00 -0.40 0.00 0.00 41.96 38.21 2jrl s TYR 26 CO 0.00 -2.91 0.31 -1.01 -1.57 0.00 0.00 175.55 170.36 2jrl s HIS 27 N -3.23 3.10 0.50 2.71 3.76 -0.75 -3.86 115.29 117.52 2jrl s HIS 27 Ca 0.67 -3.12 -0.21 0.00 -0.15 0.00 0.00 55.06 52.25 2jrl s HIS 27 Cb -0.13 -2.67 -0.07 0.00 1.11 0.00 0.00 32.58 30.83 2jrl s HIS 27 CO 0.55 -0.71 1.15 -1.25 -0.85 0.00 0.00 174.74 173.63 2jrl s PRO 28 N -0.46 3.56 0.13 8.40 0.04 -1.25 -2.57 135.00 142.85 2jrl s PRO 28 Ca 0.19 1.69 0.02 0.00 0.04 0.00 0.00 61.00 62.94 2jrl s PRO 28 Cb -0.21 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 2jrl s PRO 28 CO -0.04 -0.70 -0.03 -0.51 0.04 0.00 0.00 177.00 175.76 2jrl s ASP 29 N -1.57 1.12 0.04 6.66 1.11 -1.01 -4.93 116.67 118.10 2jrl s ASP 29 Ca 0.68 -1.09 0.06 0.00 0.18 0.00 0.00 52.55 52.39 2jrl s ASP 29 Cb -0.26 0.12 -0.02 0.00 1.07 0.00 0.00 42.92 43.82 2jrl s ASP 29 CO 0.31 -0.52 -0.18 0.42 1.18 0.00 0.00 175.17 176.38 2jrl s THR 30 N -3.66 1.40 -0.18 -1.27 -4.23 -1.24 -0.32 115.64 106.14 2jrl s THR 30 Ca 0.17 -1.10 -0.07 0.00 -1.18 0.00 0.00 61.69 59.51 2jrl s THR 30 Cb 0.06 -1.24 0.08 0.00 1.34 0.00 0.00 72.50 72.74 2jrl s THR 30 CO -0.01 0.11 0.40 0.00 -0.54 0.00 0.00 174.62 174.58 2jrl s ALA 31 N -0.82 -1.06 -0.99 3.99 0.00 -1.06 -4.94 121.76 116.89 2jrl s ALA 31 Ca 0.05 1.44 0.25 0.00 0.00 0.00 0.00 51.96 53.69 2jrl s ALA 31 Cb -0.08 -1.20 0.45 0.00 0.00 0.00 0.00 23.12 22.28 2jrl s ALA 31 CO 0.02 -0.64 1.37 0.36 0.00 0.00 0.00 175.76 176.87 2jrl n LYS 32 N 5.15 0.01 -3.86 0.00 0.00 -1.26 -0.59 118.16 117.61 2jrl n LYS 32 Ca -0.11 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.08 2jrl n LYS 32 Cb 0.51 -1.50 -0.14 0.00 -0.00 0.00 0.00 35.03 33.89 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 0.00 0.03 0.58 -4.23 -1.26 -4.58 115.64 103.17 2jrl s THR 33 Ca 0.11 -0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.35 2jrl s THR 33 Cb 0.17 -0.04 -0.17 0.00 1.34 0.00 0.00 72.50 73.80 2jrl s THR 33 CO 0.71 -0.00 1.35 -0.07 -0.54 0.00 0.00 174.62 176.08 2jrl h LEU 34 N 6.11 -0.40 -0.94 4.79 -0.00 -1.95 -2.96 115.31 119.96 2jrl h LEU 34 Ca -0.24 -0.12 0.27 0.00 -0.00 0.00 0.00 57.88 57.79 2jrl h LEU 34 Cb 1.21 0.10 -0.18 0.00 -0.00 0.00 0.00 40.66 41.80 2jrl h LEU 34 CO 0.50 -0.10 0.05 -2.11 -0.00 0.00 0.00 178.44 176.78 2jrl n ARG 35 N -5.20 -0.07 -0.22 1.13 -4.01 -1.26 0.16 116.66 107.18 2jrl n ARG 35 Ca -0.10 1.41 -0.07 0.00 -1.04 0.00 0.00 57.85 58.04 2jrl n ARG 35 Cb 0.26 -2.25 0.03 0.00 -3.04 0.00 0.00 32.46 27.47 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 0.93 0.00 2.89 4.57 -1.98 -1.77 114.58 119.22 2jrl h GLU 36 Ca 0.59 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 58.58 2jrl h GLU 36 Cb 1.25 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.68 2jrl h GLU 36 CO -0.88 0.79 -0.11 0.00 -1.18 0.00 0.00 179.01 177.63 2jrl h ALA 37 N 1.10 1.03 0.08 2.92 0.00 0.16 -3.05 119.26 121.51 2jrl h ALA 37 Ca 0.21 -0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.79 2jrl h ALA 37 Cb 0.20 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.99 2jrl h ALA 37 CO -0.02 0.13 -0.96 0.93 0.00 0.00 0.00 179.25 179.34 2jrl h GLU 38 N 0.00 0.50 -0.18 0.00 5.08 0.15 -1.26 114.58 118.87 2jrl h GLU 38 Ca -0.00 -0.65 0.04 0.00 -1.00 0.00 0.00 59.36 57.74 2jrl h GLU 38 Cb 0.60 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 2jrl h GLU 38 CO 0.01 1.27 -0.04 -0.22 -1.00 0.00 0.00 179.01 179.03 2jrl h LYS 39 N 0.04 0.01 -0.06 2.33 1.63 -1.24 -2.24 116.57 117.03 2jrl h LYS 39 Ca -0.14 -0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.47 2jrl h LYS 39 Cb 1.67 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.29 2jrl h LYS 39 CO 0.18 0.00 -0.75 1.57 -3.45 0.00 0.00 179.45 177.01 2jrl h LYS 40 N 0.01 0.35 -0.57 1.90 2.10 -1.65 -2.72 116.57 115.99 2jrl h LYS 40 Ca 0.09 -0.30 0.14 0.00 -2.00 0.00 0.00 60.65 58.58 2jrl h LYS 40 Cb 0.13 0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 31.50 2jrl h LYS 40 CO -0.18 0.95 0.40 0.82 -2.00 0.00 0.00 179.45 179.44 2jrl h ILE 41 N 0.24 0.77 -0.09 0.07 2.04 -0.78 0.29 117.51 120.05 2jrl h ILE 41 Ca -0.03 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2jrl h ILE 41 Cb 1.33 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 2jrl h ILE 41 CO 0.12 0.02 0.00 0.29 0.00 0.00 0.00 178.15 178.59 2jrl n LYS 42 N -4.41 2.06 -0.01 2.37 5.02 -0.89 -4.15 118.16 118.16 2jrl n LYS 42 Ca 0.10 -1.86 0.08 0.00 -2.02 0.00 0.00 58.31 54.61 2jrl n LYS 42 Cb 0.56 -1.42 0.07 0.00 -0.02 0.00 0.00 35.03 34.22 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 1.23 1.16 -3.84 1.97 0.28 0.87 -5.02 120.64 117.30 2jrl n GLU 43 Ca 0.13 -1.43 -0.08 0.00 -0.16 0.00 0.00 57.16 55.63 2jrl n GLU 43 Cb 0.54 -1.29 -0.02 0.00 1.43 0.00 0.00 31.44 32.09 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 -1.26 -0.20 -0.23 -1.84 2.34 -0.37 -5.02 118.68 112.10 2jrl s LEU 44 Ca 0.18 -0.60 -0.16 0.00 0.06 0.00 0.00 54.13 53.61 2jrl s LEU 44 Cb 0.13 2.58 -0.04 0.00 -0.56 0.00 0.00 46.19 48.31 2jrl s LEU 44 CO 0.19 -1.29 0.42 0.12 -1.06 0.00 0.00 176.35 174.74 2jrl s PHE 45 N -3.92 3.32 -0.18 3.48 2.19 -1.26 -4.75 117.98 116.85 2jrl s PHE 45 Ca 0.12 0.58 0.01 0.00 0.33 0.00 0.00 56.93 57.97 2jrl s PHE 45 Cb -0.05 -2.59 0.04 0.00 -1.31 0.00 0.00 43.02 39.11 2jrl s PHE 45 CO 0.05 -0.12 -0.12 -0.59 1.83 0.00 0.00 175.22 176.27 2jrl s PHE 46 N 1.72 2.39 -0.02 10.12 -0.71 -1.26 -4.98 117.98 125.24 2jrl s PHE 46 Ca 0.19 -1.51 -0.21 0.00 -1.04 0.00 0.00 56.93 54.37 2jrl s PHE 46 Cb -0.15 -1.65 -0.13 0.00 -1.21 0.00 0.00 43.02 39.88 2jrl s PHE 46 CO 0.09 -0.73 0.90 -1.00 -1.34 0.00 0.00 175.22 173.14 2jrl h PRO 47 N 7.99 -0.52 -4.64 1.99 0.13 -1.86 -3.45 132.00 131.64 2jrl h PRO 47 Ca -0.32 0.04 -0.43 0.00 -0.87 0.00 0.00 66.00 64.42 2jrl h PRO 47 Cb 1.11 0.12 -0.31 0.00 0.13 0.00 0.00 31.00 32.05 2jrl h PRO 47 CO 0.50 -0.24 -0.79 0.14 -0.23 0.00 0.00 178.00 177.38 2jrl s VAL 48 N -3.90 0.80 0.03 1.56 -7.23 -1.25 -3.25 120.40 107.16 2jrl s VAL 48 Ca -0.11 -0.38 0.03 0.00 -1.81 0.00 0.00 61.98 59.71 2jrl s VAL 48 Cb 0.01 -0.71 -0.02 0.00 0.56 0.00 0.00 36.38 36.23 2jrl s VAL 48 CO 0.39 0.25 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.70 2jrl s ILE 49 N 0.14 0.73 -0.22 -0.62 1.01 -0.95 -3.47 121.20 117.82 2jrl s ILE 49 Ca -0.02 -0.87 -0.03 0.00 0.00 0.00 0.00 60.65 59.73 2jrl s ILE 49 Cb -0.08 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.69 2jrl s ILE 49 CO 0.00 -0.13 -0.06 -0.69 0.00 0.00 0.00 174.94 174.06 2jrl s VAL 50 N -0.91 3.14 -0.18 2.92 1.01 0.24 -0.23 120.40 126.39 2jrl s VAL 50 Ca -0.03 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 2jrl s VAL 50 Cb -0.07 -2.46 0.05 0.00 0.00 0.00 0.00 36.38 33.89 2jrl s VAL 50 CO 0.01 0.38 -0.03 -0.22 0.00 0.00 0.00 175.10 175.23 2jrl s LEU 51 N 1.43 1.67 0.93 3.92 0.20 0.01 0.52 118.68 127.36 2jrl s LEU 51 Ca 0.04 -0.78 -0.12 0.00 0.69 0.00 0.00 54.13 53.97 2jrl s LEU 51 Cb -0.15 -0.88 0.15 0.00 -0.43 0.00 0.00 46.19 44.88 2jrl s LEU 51 CO -0.04 -0.22 1.12 1.51 -0.29 0.00 0.00 176.35 178.43 2jrl s ASP 52 N 1.65 3.32 -0.07 3.68 1.47 -1.13 -3.40 116.67 122.19 2jrl s ASP 52 Ca -0.01 1.07 -0.23 0.00 1.18 0.00 0.00 52.55 54.56 2jrl s ASP 52 Cb -0.16 -1.68 -0.30 0.00 -0.34 0.00 0.00 42.92 40.44 2jrl s ASP 52 CO -0.07 -2.68 0.84 0.58 0.68 0.00 0.00 175.17 174.51 2jrl h VAL 53 N -1.58 1.53 -0.16 2.11 2.07 -0.71 -3.33 116.25 116.18 2jrl h VAL 53 Ca -0.51 -2.49 -0.11 0.00 0.82 0.00 0.00 66.70 64.41 2jrl h VAL 53 Cb 1.33 3.20 -0.00 0.00 -1.52 0.00 0.00 31.29 34.29 2jrl h VAL 53 CO 0.60 0.69 0.34 1.87 0.02 0.00 0.00 177.57 181.09 2jrl n TRP 54 N -4.21 1.26 -4.60 1.57 -0.00 -1.26 -3.64 117.44 106.57 2jrl n TRP 54 Ca -0.14 -0.48 -0.30 0.00 -0.00 0.00 0.00 57.50 56.58 2jrl n TRP 54 Cb 0.76 -2.51 -0.13 0.00 -0.00 0.00 0.00 31.31 29.43 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 7.99 1.85 -0.02 5.87 -1.94 -1.26 -4.52 119.30 127.27 2jrl s MET 55 Ca 0.78 -1.11 -0.26 0.00 -1.71 0.00 0.00 55.69 53.39 2jrl s MET 55 Cb -0.03 -2.08 -0.20 0.00 2.01 0.00 0.00 34.83 34.53 2jrl s MET 55 CO 0.19 0.51 1.27 -1.00 -0.01 0.00 0.00 175.02 175.97 2jrl h PRO 56 N 4.32 0.01 0.39 2.03 0.13 -1.89 -3.33 132.00 133.65 2jrl h PRO 56 Ca -0.48 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 2jrl h PRO 56 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2jrl h PRO 56 CO 0.45 0.49 -0.19 0.22 -0.23 0.00 0.00 178.00 178.74 2jrl h ASP 57 N -0.48 -0.44 -3.82 1.44 3.58 -1.97 -3.48 116.42 111.25 2jrl h ASP 57 Ca 0.00 -0.07 0.20 0.00 0.42 0.00 0.00 57.03 57.59 2jrl h ASP 57 Cb 0.49 0.11 -0.23 0.00 1.72 0.00 0.00 39.33 41.42 2jrl h ASP 57 CO 0.00 -0.20 0.79 -0.83 -2.88 0.00 0.00 179.24 176.12 2jrl s GLY 58 N -2.37 -0.15 0.88 -0.78 0.00 -1.25 -5.10 107.32 98.55 2jrl s GLY 58 Ca -0.15 2.13 -0.16 0.00 0.00 0.00 0.00 44.72 46.54 2jrl s GLY 58 CO 0.60 0.86 -0.37 1.22 0.00 0.00 0.00 173.10 175.40 2jrl n ASP 59 N 0.33 -4.56 0.04 1.64 8.00 -1.26 -4.50 116.55 116.24 2jrl n ASP 59 Ca -0.03 0.32 -0.19 0.00 0.71 0.00 0.00 54.79 55.61 2jrl n ASP 59 Cb 0.58 -0.89 -0.14 0.00 -0.02 0.00 0.00 41.12 40.65 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 -0.87 0.31 0.00 0.44 0.00 -1.67 -3.21 103.07 98.07 2jrl h GLY 60 Ca -0.44 -0.80 0.19 0.00 0.00 0.00 0.00 47.33 46.29 2jrl h GLY 60 CO 0.30 0.70 0.44 -0.24 0.00 0.00 0.00 176.54 177.74 2jrl h VAL 61 N 0.07 0.60 0.00 4.60 3.04 -1.90 0.20 116.25 122.87 2jrl h VAL 61 Ca -0.32 -0.18 -0.14 0.00 -1.01 0.00 0.00 66.70 65.05 2jrl h VAL 61 Cb 2.05 0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 31.33 2jrl h VAL 61 CO 0.14 0.10 -0.67 -1.13 -1.01 0.00 0.00 177.57 175.00 2jrl h ASN 62 N 0.53 0.00 -0.33 3.17 -1.24 -1.95 -3.22 115.58 112.54 2jrl h ASN 62 Ca 0.53 0.00 0.03 0.00 0.71 0.00 0.00 56.30 57.57 2jrl h ASN 62 Cb 0.89 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.93 2jrl h ASN 62 CO -0.45 0.67 0.22 0.15 -1.29 0.00 0.00 177.43 176.74 2jrl h PHE 63 N 0.00 0.31 -0.77 0.67 3.57 -0.62 -2.22 116.94 117.89 2jrl h PHE 63 Ca -0.01 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.64 2jrl h PHE 63 Cb 1.45 -0.10 -0.10 0.00 2.79 0.00 0.00 35.95 39.99 2jrl h PHE 63 CO 0.00 0.18 0.32 0.82 -2.23 0.00 0.00 178.31 177.41 2jrl h ILE 64 N 0.32 0.66 -0.95 1.41 2.04 -1.46 -1.54 117.51 117.99 2jrl h ILE 64 Ca 0.13 -0.16 0.23 0.00 1.00 0.00 0.00 64.86 66.07 2jrl h ILE 64 Cb 0.13 0.16 -0.18 0.00 -0.74 0.00 0.00 36.82 36.19 2jrl h ILE 64 CO -0.03 0.09 -0.08 -0.67 0.00 0.00 0.00 178.15 177.46 2jrl n ASP 65 N -4.98 -0.20 -0.12 1.72 2.03 -0.83 0.90 116.55 115.06 2jrl n ASP 65 Ca 0.15 1.62 -0.10 0.00 0.52 0.00 0.00 54.79 56.98 2jrl n ASP 65 Cb 0.42 -0.55 -0.02 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 0.60 0.21 -0.67 3.57 -1.46 -2.58 116.94 116.61 2jrl h PHE 66 Ca 0.53 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.94 2jrl h PHE 66 Cb 0.99 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.57 2jrl h PHE 66 CO -0.58 0.61 -0.10 0.82 -2.23 0.00 0.00 178.31 176.82 2jrl h ILE 67 N 0.42 0.80 0.00 1.41 2.04 0.56 -1.00 117.51 121.73 2jrl h ILE 67 Ca 0.11 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.95 2jrl h ILE 67 Cb 0.31 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2jrl h ILE 67 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.45 2jrl n LYS 68 N -5.21 0.04 -0.02 2.37 4.76 0.88 0.13 118.16 121.11 2jrl n LYS 68 Ca -0.09 0.51 -0.21 0.00 -2.87 0.00 0.00 58.31 55.65 2jrl n LYS 68 Cb 0.14 -1.62 -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 -1.71 0.74 -0.53 1.97 2.13 -0.50 -3.92 120.64 118.82 2jrl n GLU 69 Ca -0.00 0.25 0.04 0.00 0.66 0.00 0.00 57.16 58.11 2jrl n GLU 69 Cb 0.03 -1.68 0.22 0.00 0.27 0.00 0.00 31.44 30.28 2jrl n GLU 69 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2jrl n ASN 70 N -3.47 3.07 0.00 4.31 0.23 -0.50 -4.78 115.26 114.12 2jrl n ASN 70 Ca -0.34 -3.34 0.00 0.00 -0.53 0.00 0.00 54.58 50.37 2jrl n ASN 70 Cb 1.03 -0.56 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 2jrl n ASN 70 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2jrl n SER 71 N -0.90 0.00 -0.11 0.53 2.88 0.36 -4.99 113.62 111.39 2jrl n SER 71 Ca 0.25 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.66 2jrl n SER 71 Cb 0.90 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.34 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 0.87 0.00 -1.46 0.13 -1.68 -2.84 132.00 127.03 2jrl h PRO 72 Ca 0.00 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 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 1.11 0.00 -0.25 -0.23 0.00 0.00 178.00 178.63 2jrl n ASP 73 N -4.12 0.00 -4.80 1.44 9.92 -1.26 -4.80 116.55 112.93 2jrl n ASP 73 Ca -0.03 0.33 -0.33 0.00 -0.53 0.00 0.00 54.79 54.23 2jrl n ASP 73 Cb 0.52 -0.43 -0.02 0.00 -0.64 0.00 0.00 41.12 40.56 2jrl n ASP 73 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2jrl s SER 74 N -2.86 6.15 -0.09 -2.24 1.04 -1.07 -4.96 113.70 109.67 2jrl s SER 74 Ca 0.13 1.88 0.02 0.00 0.48 0.00 0.00 55.95 58.46 2jrl s SER 74 Cb 0.13 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.72 2jrl s SER 74 CO 0.35 -0.92 -0.15 0.54 0.98 0.00 0.00 173.24 174.05 2jrl s VAL 75 N -2.17 1.42 0.10 5.02 0.11 -1.20 -5.00 120.40 118.68 2jrl s VAL 75 Ca 0.66 -0.61 0.08 0.00 -2.93 0.00 0.00 61.98 59.18 2jrl s VAL 75 Cb -0.16 -1.29 -0.03 0.00 -1.53 0.00 0.00 36.38 33.36 2jrl s VAL 75 CO 0.26 0.42 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.55 2jrl s VAL 76 N 0.84 1.77 -0.17 2.04 1.01 -1.13 -2.23 120.40 122.53 2jrl s VAL 76 Ca -0.10 -1.51 -0.04 0.00 0.00 0.00 0.00 61.98 60.32 2jrl s VAL 76 Cb -0.15 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 2jrl s VAL 76 CO 0.01 0.01 -0.02 -0.63 0.00 0.00 0.00 175.10 174.47 2jrl s ILE 77 N -1.09 3.98 -0.22 2.22 1.09 0.68 -1.39 121.20 126.48 2jrl s ILE 77 Ca 0.07 -0.32 -0.09 0.00 -1.10 0.00 0.00 60.65 59.21 2jrl s ILE 77 Cb -0.10 -2.76 -0.05 0.00 -1.06 0.00 0.00 42.46 38.49 2jrl s ILE 77 CO 0.04 0.47 0.12 -0.69 -0.10 0.00 0.00 174.94 174.78 2jrl s VAL 78 N 0.54 5.12 0.01 2.92 1.01 -1.16 -0.81 120.40 128.03 2jrl s VAL 78 Ca -0.02 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.08 2jrl s VAL 78 Cb -0.14 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 2jrl s VAL 78 CO 0.02 0.39 -0.10 0.27 0.00 0.00 0.00 175.10 175.69 2jrl s ILE 79 N 0.79 0.74 -0.16 2.22 -4.36 -1.22 -3.21 121.20 116.00 2jrl s ILE 79 Ca 0.06 -0.55 -0.15 0.00 -0.26 0.00 0.00 60.65 59.75 2jrl s ILE 79 Cb -0.13 -0.65 0.04 0.00 1.25 0.00 0.00 42.46 42.97 2jrl s ILE 79 CO 0.02 0.10 0.44 0.28 0.24 0.00 0.00 174.94 176.02 2jrl s THR 80 N -0.44 0.00 -0.17 8.37 -1.32 -1.02 0.09 115.64 121.16 2jrl s THR 80 Ca 0.02 -0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.66 2jrl s THR 80 Cb -0.05 -0.62 0.03 0.00 -1.51 0.00 0.00 72.50 70.35 2jrl s THR 80 CO 0.00 -0.00 1.29 1.23 -2.21 0.00 0.00 174.62 174.93 2jrl h GLY 81 N 5.44 0.00 1.80 6.08 0.00 -1.87 -3.19 103.07 111.33 2jrl h GLY 81 Ca -0.27 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.09 2jrl h GLY 81 CO 0.23 0.00 0.07 0.45 0.00 0.00 0.00 176.54 177.29 2jrl h HIS 82 N 0.00 0.00 -3.20 5.60 3.86 -1.99 -3.43 115.15 115.99 2jrl h HIS 82 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2jrl h HIS 82 Cb 1.39 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.86 2jrl h HIS 82 CO 0.00 0.00 -0.77 0.41 0.86 0.00 0.00 177.93 178.43 2jrl n GLY 83 N -1.53 -4.52 0.00 2.45 0.00 -1.24 -5.08 105.19 95.26 2jrl n GLY 83 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.39 0.00 -0.15 1.61 2.88 -1.26 -5.05 113.62 111.26 2jrl n SER 84 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 2jrl n SER 84 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 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 1.15 0.42 2.46 3.04 -1.98 0.83 116.25 122.18 2jrl h VAL 85 Ca 0.00 -0.36 -0.01 0.00 -1.01 0.00 0.00 66.70 65.32 2jrl h VAL 85 Cb 0.00 0.56 -0.02 0.00 -2.01 0.00 0.00 31.29 29.82 2jrl h VAL 85 CO 0.00 0.16 -0.41 0.44 -1.01 0.00 0.00 177.57 176.75 2jrl h ASP 86 N 0.61 -1.11 0.14 3.17 3.32 -2.01 -1.34 116.42 119.20 2jrl h ASP 86 Ca 0.16 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 2jrl h ASP 86 Cb 0.02 0.37 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 2jrl h ASP 86 CO -0.03 -0.57 -0.13 0.74 -1.72 0.00 0.00 179.24 177.54 2jrl h THR 87 N -0.85 1.05 0.13 0.35 2.02 -1.95 -2.82 112.91 110.84 2jrl h THR 87 Ca -0.04 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 2jrl h THR 87 Cb 0.75 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 2jrl h THR 87 CO -0.06 0.13 -0.06 0.00 0.37 0.00 0.00 175.52 175.90 2jrl h ALA 88 N 1.87 -0.17 0.47 6.16 0.00 -0.15 -1.30 119.26 126.13 2jrl h ALA 88 Ca -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2jrl h ALA 88 Cb 0.23 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2jrl h ALA 88 CO 0.02 -0.54 -0.42 0.28 0.00 0.00 0.00 179.25 178.58 2jrl h VAL 89 N -0.27 0.00 -0.24 0.00 2.07 -1.01 -0.60 116.25 116.19 2jrl h VAL 89 Ca -0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.57 2jrl h VAL 89 Cb 0.22 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 2jrl h VAL 89 CO 0.03 0.00 0.36 0.07 0.02 0.00 0.00 177.57 178.05 2jrl h LYS 90 N -0.87 0.00 0.00 1.57 2.10 -1.57 0.79 116.57 118.59 2jrl h LYS 90 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 2jrl h LYS 90 Cb 0.74 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 2jrl h LYS 90 CO -0.03 0.00 -0.28 0.00 -2.00 0.00 0.00 179.45 177.14 2jrl h ALA 91 N 1.50 0.82 0.09 0.07 0.00 -0.09 -2.98 119.26 118.67 2jrl h ALA 91 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.69 2jrl h ALA 91 Cb 0.84 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2jrl h ALA 91 CO -0.00 0.00 -1.81 0.82 0.00 0.00 0.00 179.25 178.26 2jrl h ILE 92 N 0.00 0.80 0.00 0.00 1.08 0.21 -2.03 117.51 117.57 2jrl h ILE 92 Ca 0.00 -2.55 0.00 0.00 -0.39 0.00 0.00 64.86 61.92 2jrl h ILE 92 Cb 0.79 2.54 0.00 0.00 -3.07 0.00 0.00 36.82 37.08 2jrl h ILE 92 CO 0.00 0.76 -0.11 2.29 -0.69 0.00 0.00 178.15 180.40 2jrl n LYS 93 N -3.35 0.16 -0.01 2.37 2.85 -0.82 -3.86 118.16 115.50 2jrl n LYS 93 Ca -0.24 0.11 -0.01 0.00 -1.05 0.00 0.00 58.31 57.13 2jrl n LYS 93 Cb 1.05 -1.67 -0.00 0.00 -0.65 0.00 0.00 35.03 33.76 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 -0.04 0.00 -1.58 1.63 -1.64 -3.47 116.57 111.46 2jrl h LYS 94 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2jrl h LYS 94 Cb 0.65 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 2jrl h LYS 94 CO 0.00 -0.03 0.00 0.41 -3.45 0.00 0.00 179.45 176.38 2jrl n GLY 95 N 1.70 0.35 3.55 5.01 0.00 -1.24 -4.90 105.19 109.66 2jrl n GLY 95 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2jrl n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jrl s ALA 96 N 0.00 3.49 0.20 4.61 0.00 -0.76 -2.84 121.76 126.46 2jrl s ALA 96 Ca 0.00 -1.26 -0.03 0.00 0.00 0.00 0.00 51.96 50.67 2jrl s ALA 96 Cb 0.00 -2.57 0.13 0.00 0.00 0.00 0.00 23.12 20.69 2jrl s ALA 96 CO 0.00 -0.79 1.53 -0.92 0.00 0.00 0.00 175.76 175.57 2jrl h TYR 97 N 8.43 0.69 -3.37 0.00 3.20 -1.51 -3.39 116.97 121.01 2jrl h TYR 97 Ca -0.33 -0.23 -0.14 0.00 3.14 0.00 0.00 58.73 61.17 2jrl h TYR 97 Cb 1.17 -0.14 -0.21 0.00 1.54 0.00 0.00 36.73 39.10 2jrl h TYR 97 CO 0.70 0.96 -0.43 -2.00 -1.64 0.00 0.00 178.16 175.74 2jrl s GLU 98 N -4.06 0.52 -0.26 1.82 2.56 -1.26 -5.08 118.70 112.93 2jrl s GLU 98 Ca -0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 54.97 54.59 2jrl s GLU 98 Cb 0.12 0.22 0.04 0.00 2.00 0.00 0.00 34.13 36.50 2jrl s GLU 98 CO 0.84 -0.13 -0.06 0.12 -0.56 0.00 0.00 175.26 175.47 2jrl s PHE 99 N -1.27 3.14 -0.01 5.30 5.36 -1.26 -2.99 117.98 126.24 2jrl s PHE 99 Ca -0.13 -1.80 0.06 0.00 -0.96 0.00 0.00 56.93 54.09 2jrl s PHE 99 Cb -0.07 -2.04 -0.01 0.00 -0.34 0.00 0.00 43.02 40.56 2jrl s PHE 99 CO 0.02 -0.78 -0.19 -0.51 -1.46 0.00 0.00 175.22 172.30 2jrl s LEU 100 N 1.26 2.04 0.00 6.12 1.43 -1.20 -5.04 118.68 123.29 2jrl s LEU 100 Ca -0.03 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 52.60 2jrl s LEU 100 Cb -0.18 -0.96 0.19 0.00 0.03 0.00 0.00 46.19 45.26 2jrl s LEU 100 CO -0.04 0.23 0.73 -0.62 0.23 0.00 0.00 176.35 176.88 2jrl n GLU 101 N 2.62 -2.10 0.43 1.70 1.02 -1.26 -2.44 120.64 120.61 2jrl n GLU 101 Ca -0.15 -1.15 -0.20 0.00 -0.02 0.00 0.00 57.16 55.64 2jrl n GLU 101 Cb 0.54 -1.02 -0.10 0.00 -0.02 0.00 0.00 31.44 30.84 2jrl n GLU 101 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2jrl h LYS 102 N 0.00 -1.14 -6.33 3.49 1.63 -1.83 -3.42 116.57 108.98 2jrl h LYS 102 Ca -0.27 0.08 -0.55 0.00 -0.85 0.00 0.00 60.65 59.07 2jrl h LYS 102 Cb 0.80 0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 32.68 2jrl h LYS 102 CO 0.18 -0.76 0.92 -1.25 -3.45 0.00 0.00 179.45 175.08 2jrl s PRO 103 N -5.96 4.24 0.01 1.90 0.04 -1.26 -5.00 135.00 128.98 2jrl s PRO 103 Ca -0.19 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 62.65 2jrl s PRO 103 Cb 0.03 -3.69 0.05 0.00 0.04 0.00 0.00 34.50 30.93 2jrl s PRO 103 CO 0.61 -0.67 0.49 -0.59 0.04 0.00 0.00 177.00 176.87 2jrl s PHE 104 N 2.92 -0.39 0.14 0.56 -0.12 -1.26 -5.12 117.98 114.71 2jrl s PHE 104 Ca 0.66 0.51 0.06 0.00 -0.05 0.00 0.00 56.93 58.11 2jrl s PHE 104 Cb -0.32 0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 42.31 2jrl s PHE 104 CO 0.26 -0.57 0.04 -1.12 -0.05 0.00 0.00 175.22 173.78 2jrl s SER 105 N -1.70 5.07 0.56 1.98 0.01 -1.26 -4.95 113.70 113.41 2jrl s SER 105 Ca -0.08 -0.24 0.33 0.00 1.31 0.00 0.00 55.95 57.26 2jrl s SER 105 Cb -0.01 -1.20 1.48 0.00 0.21 0.00 0.00 66.02 66.50 2jrl s SER 105 CO 0.02 0.11 1.83 1.62 0.41 0.00 0.00 173.24 177.23 2jrl h VAL 106 N 2.50 0.42 -0.18 3.43 3.04 -2.02 0.44 116.25 123.88 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 1.19 0.48 -0.01 0.00 -2.01 0.00 0.00 31.29 30.94 2jrl h VAL 106 CO 0.60 0.00 0.09 -0.08 -1.01 0.00 0.00 177.57 177.17 2jrl h GLU 107 N 0.00 0.26 0.00 4.17 4.57 -1.99 0.21 114.58 121.80 2jrl h GLU 107 Ca 0.44 -0.03 -0.22 0.00 -1.18 0.00 0.00 59.36 58.36 2jrl h GLU 107 Cb 1.87 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 30.38 2jrl h GLU 107 CO -0.00 0.27 -1.21 -0.09 -1.18 0.00 0.00 179.01 176.80 2jrl h ARG 108 N 0.17 0.00 -0.05 1.92 9.65 -1.25 -3.05 114.38 121.78 2jrl h ARG 108 Ca 0.06 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.92 2jrl h ARG 108 Cb 0.10 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.68 2jrl h ARG 108 CO -0.01 0.68 -0.04 0.35 2.80 0.00 0.00 179.97 183.75 2jrl h PHE 109 N 0.00 0.13 -0.61 2.20 3.04 -0.16 -2.66 116.94 118.88 2jrl h PHE 109 Ca -0.12 -0.04 -0.09 0.00 3.98 0.00 0.00 57.97 61.71 2jrl h PHE 109 Cb 1.77 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 40.23 2jrl h PHE 109 CO 0.00 0.55 0.03 1.37 -2.02 0.00 0.00 178.31 178.24 2jrl h LEU 110 N -0.32 1.01 -1.79 0.59 8.10 -0.72 -2.61 115.31 119.57 2jrl h LEU 110 Ca 0.01 -0.27 -0.01 0.00 0.11 0.00 0.00 57.88 57.73 2jrl h LEU 110 Cb 0.52 -0.27 -0.01 0.00 -0.44 0.00 0.00 40.66 40.47 2jrl h LEU 110 CO 0.01 1.05 0.07 0.25 -4.11 0.00 0.00 178.44 175.71 2jrl h LEU 111 N 0.96 0.18 -0.08 0.17 6.46 -1.55 -1.89 115.31 119.57 2jrl h LEU 111 Ca 0.18 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 2jrl h LEU 111 Cb 0.51 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.39 2jrl h LEU 111 CO 0.02 0.16 0.01 0.74 -0.62 0.00 0.00 178.44 178.75 2jrl h THR 112 N 0.21 1.22 0.75 1.05 2.02 -1.09 -2.56 112.91 114.50 2jrl h THR 112 Ca 0.05 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.52 2jrl h THR 112 Cb 0.03 1.53 0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2jrl h THR 112 CO -0.01 0.19 -0.36 0.40 0.37 0.00 0.00 175.52 176.11 2jrl h ILE 113 N -0.12 0.15 -0.92 3.11 1.08 -1.40 0.41 117.51 119.83 2jrl h ILE 113 Ca 0.02 -0.19 0.26 0.00 -0.39 0.00 0.00 64.86 64.56 2jrl h ILE 113 Cb 0.29 0.18 -0.16 0.00 -3.07 0.00 0.00 36.82 34.06 2jrl h ILE 113 CO 0.00 0.01 0.14 0.50 -0.69 0.00 0.00 178.15 178.11 2jrl h LYS 114 N -1.16 0.09 0.00 2.37 3.64 -1.43 0.84 116.57 120.92 2jrl h LYS 114 Ca -0.10 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.10 2jrl h LYS 114 Cb 0.79 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 2jrl h LYS 114 CO 0.17 0.06 -0.84 0.45 -2.27 0.00 0.00 179.45 177.02 2jrl h HIS 115 N 0.09 0.00 -0.72 1.91 3.86 -1.35 -3.19 115.15 115.75 2jrl h HIS 115 Ca 0.58 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.91 2jrl h HIS 115 Cb 1.20 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.58 2jrl h HIS 115 CO -0.37 0.84 0.29 0.00 0.86 0.00 0.00 177.93 179.56 2jrl h ALA 116 N 1.16 0.99 0.24 2.45 0.00 0.53 -0.51 119.26 124.11 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 1.55 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 -0.11 0.74 0.00 0.00 0.00 179.25 179.80 2jrl h PHE 117 N 0.46 -0.29 -0.98 0.00 -1.00 -1.49 -1.96 116.94 111.67 2jrl h PHE 117 Ca 0.38 -0.01 0.41 0.00 2.81 0.00 0.00 57.97 61.56 2jrl h PHE 117 Cb 0.54 0.10 -0.18 0.00 3.61 0.00 0.00 35.95 40.02 2jrl h PHE 117 CO -0.16 -0.18 0.51 0.39 -1.61 0.00 0.00 178.31 177.26 2jrl n GLU 118 N -4.21 -0.06 0.03 1.51 1.02 -1.17 -0.07 120.64 117.69 2jrl n GLU 118 Ca -0.04 1.36 -0.11 0.00 -0.02 0.00 0.00 57.16 58.35 2jrl n GLU 118 Cb 0.12 -2.44 -0.09 0.00 -0.02 0.00 0.00 31.44 29.02 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 -0.15 -0.95 3.49 4.57 -1.16 -3.26 114.58 117.12 2jrl h GLU 119 Ca 0.83 0.01 0.19 0.00 -1.18 0.00 0.00 59.36 59.20 2jrl h GLU 119 Cb 2.17 0.03 -0.11 0.00 -0.16 0.00 0.00 28.75 30.69 2jrl h GLU 119 CO -0.77 0.34 0.54 -0.92 -1.18 0.00 0.00 179.01 177.02 2jrl h TYR 120 N -0.80 0.94 0.00 0.92 3.20 0.34 -3.52 116.97 118.06 2jrl h TYR 120 Ca -0.02 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2jrl h TYR 120 Cb 0.56 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.55 2jrl h TYR 120 CO 0.10 0.18 0.00 0.45 -1.64 0.00 0.00 178.16 177.25