#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 -1.42 -2.59 2.12 4.76 -1.26 -4.73 118.16 115.04 2jrl n LYS 2 Ca 0.00 1.09 -0.42 0.00 -2.87 0.00 0.00 58.31 56.11 2jrl n LYS 2 Cb 0.00 -5.43 -0.03 0.00 -1.84 0.00 0.00 35.03 27.73 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 -3.54 3.39 0.01 1.97 0.52 -1.26 -1.53 118.95 118.50 2jrl s ARG 3 Ca 0.00 0.04 0.07 0.00 -0.52 0.00 0.00 55.73 55.32 2jrl s ARG 3 Cb 0.00 -4.07 -0.03 0.00 0.52 0.00 0.00 34.95 31.37 2jrl s ARG 3 CO 0.00 -1.82 -0.22 0.08 0.02 0.00 0.00 175.30 173.37 2jrl s VAL 4 N 5.11 2.47 -0.20 3.52 1.01 -0.96 -3.64 120.40 127.70 2jrl s VAL 4 Ca 0.39 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 61.26 2jrl s VAL 4 Cb -0.08 -1.95 0.03 0.00 0.00 0.00 0.00 36.38 34.37 2jrl s VAL 4 CO 0.21 0.47 -0.17 -0.22 0.00 0.00 0.00 175.10 175.40 2jrl s LEU 5 N -1.00 2.50 -0.42 3.92 2.96 -1.23 -2.21 118.68 123.20 2jrl s LEU 5 Ca 0.12 -0.82 -0.19 0.00 -0.22 0.00 0.00 54.13 53.03 2jrl s LEU 5 Cb -0.10 -1.51 0.02 0.00 0.50 0.00 0.00 46.19 45.10 2jrl s LEU 5 CO 0.02 -0.05 0.52 -0.69 -1.32 0.00 0.00 176.35 174.82 2jrl s VAL 6 N 1.26 4.99 -0.34 1.68 1.01 0.37 -0.03 120.40 129.34 2jrl s VAL 6 Ca 0.02 -0.14 -0.13 0.00 0.00 0.00 0.00 61.98 61.72 2jrl s VAL 6 Cb -0.15 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 2jrl s VAL 6 CO -0.10 -0.47 0.26 -0.69 0.00 0.00 0.00 175.10 174.10 2jrl s VAL 7 N 2.40 5.26 -0.29 2.92 1.01 0.14 -2.51 120.40 129.34 2jrl s VAL 7 Ca 0.16 -0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.81 2jrl s VAL 7 Cb -0.16 -3.73 0.13 0.00 0.00 0.00 0.00 36.38 32.62 2jrl s VAL 7 CO 0.16 -0.02 0.94 -0.62 0.00 0.00 0.00 175.10 175.55 2jrl s ASP 8 N 1.73 -0.57 0.00 3.32 -1.08 -0.22 -2.73 116.67 117.12 2jrl s ASP 8 Ca 0.07 0.96 0.00 0.00 -0.52 0.00 0.00 52.55 53.06 2jrl s ASP 8 Cb -0.17 1.16 0.00 0.00 -1.46 0.00 0.00 42.92 42.45 2jrl s ASP 8 CO 0.11 -0.16 0.48 -0.90 0.52 0.00 0.00 175.17 175.22 2jrl n ASP 9 N 3.40 0.19 -4.02 -0.34 5.75 -1.26 -4.25 116.55 116.01 2jrl n ASP 9 Ca -0.17 -1.15 -0.33 0.00 -0.01 0.00 0.00 54.79 53.13 2jrl n ASP 9 Cb 0.57 -0.09 -0.10 0.00 -1.03 0.00 0.00 41.12 40.47 2jrl n ASP 9 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2jrl s GLU 10 N -1.68 2.68 0.60 0.11 2.56 -1.26 -4.91 118.70 116.80 2jrl s GLU 10 Ca 0.00 -3.02 0.29 0.00 0.00 0.00 0.00 54.97 52.25 2jrl s GLU 10 Cb 0.00 -3.65 1.62 0.00 2.00 0.00 0.00 34.13 34.09 2jrl s GLU 10 CO 0.00 -1.22 2.01 1.49 -0.56 0.00 0.00 175.26 176.98 2jrl h GLU 11 N 6.16 0.00 -0.72 4.30 4.81 -1.99 -0.09 114.58 127.04 2jrl h GLU 11 Ca 0.08 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 2jrl h GLU 11 Cb 0.84 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 2jrl h GLU 11 CO 0.75 0.00 0.27 1.03 -0.73 0.00 0.00 179.01 180.33 2jrl h SER 12 N 0.00 1.02 0.11 1.04 0.87 -1.94 -1.23 113.55 113.40 2jrl h SER 12 Ca 0.12 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 2jrl h SER 12 Cb 0.74 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2jrl h SER 12 CO -0.00 0.93 -0.05 0.40 -0.53 0.00 0.00 176.83 177.58 2jrl h ILE 13 N 1.05 0.55 -1.03 2.23 1.08 -1.44 -3.25 117.51 116.69 2jrl h ILE 13 Ca 0.24 -1.22 0.26 0.00 -0.39 0.00 0.00 64.86 63.75 2jrl h ILE 13 Cb 0.24 0.99 -0.09 0.00 -3.07 0.00 0.00 36.82 34.89 2jrl h ILE 13 CO -0.02 0.17 0.67 0.71 -0.69 0.00 0.00 178.15 178.99 2jrl h THR 14 N -0.99 0.53 -0.13 -0.27 1.35 -1.50 0.41 112.91 112.30 2jrl h THR 14 Ca -0.01 -0.13 0.01 0.00 -0.55 0.00 0.00 66.41 65.72 2jrl h THR 14 Cb 0.39 0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 66.90 2jrl h THR 14 CO 0.02 0.07 0.05 -1.28 -0.25 0.00 0.00 175.52 174.14 2jrl h SER 15 N 0.39 0.06 0.32 5.36 0.87 -1.31 0.20 113.55 119.45 2jrl h SER 15 Ca 0.59 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 61.14 2jrl h SER 15 Cb 1.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 2jrl h SER 15 CO -0.28 0.06 -0.16 -1.28 -0.53 0.00 0.00 176.83 174.64 2jrl h SER 16 N 0.12 -0.37 -0.12 6.23 0.87 -1.01 -2.80 113.55 116.47 2jrl h SER 16 Ca 0.06 -0.17 0.04 0.00 -1.23 0.00 0.00 61.79 60.49 2jrl h SER 16 Cb 0.03 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2jrl h SER 16 CO -0.05 0.00 0.17 -0.07 -0.53 0.00 0.00 176.83 176.35 2jrl h LEU 17 N -0.78 0.00 -0.53 2.23 4.07 -1.17 0.96 115.31 120.08 2jrl h LEU 17 Ca -0.04 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.76 2jrl h LEU 17 Cb 0.51 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 2jrl h LEU 17 CO 0.07 0.00 -0.73 0.28 -1.08 0.00 0.00 178.44 176.98 2jrl h SER 18 N 0.00 0.01 -0.22 -0.43 0.02 -0.40 -2.39 113.55 110.14 2jrl h SER 18 Ca 0.06 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 2jrl h SER 18 Cb 0.41 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 2jrl h SER 18 CO -0.00 0.74 -0.14 0.00 -1.14 0.00 0.00 176.83 176.29 2jrl h ALA 19 N 1.26 0.32 -0.12 3.77 0.00 -0.55 -2.08 119.26 121.86 2jrl h ALA 19 Ca -0.01 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 2jrl h ALA 19 Cb 1.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2jrl h ALA 19 CO 0.10 0.20 -0.49 0.82 0.00 0.00 0.00 179.25 179.87 2jrl h ILE 20 N 0.19 1.34 0.07 0.00 1.08 -1.56 -2.43 117.51 116.19 2jrl h ILE 20 Ca 0.05 -1.71 -0.00 0.00 -0.39 0.00 0.00 64.86 62.80 2jrl h ILE 20 Cb 0.66 1.78 0.00 0.00 -3.07 0.00 0.00 36.82 36.19 2jrl h ILE 20 CO 0.04 0.52 -0.03 0.25 -0.69 0.00 0.00 178.15 178.23 2jrl h LEU 21 N 0.26 -0.07 -2.04 1.44 6.46 -1.38 -2.69 115.31 117.28 2jrl h LEU 21 Ca 0.01 -0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.52 2jrl h LEU 21 Cb 0.96 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.90 2jrl h LEU 21 CO 0.08 0.21 -0.03 -0.08 -0.62 0.00 0.00 178.44 178.00 2jrl h GLU 22 N -0.36 0.00 -0.26 1.25 4.22 -1.38 -0.32 114.58 117.72 2jrl h GLU 22 Ca -0.01 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 59.30 2jrl h GLU 22 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 2jrl h GLU 22 CO 0.01 0.03 -0.35 1.49 -2.18 0.00 0.00 179.01 178.01 2jrl h GLU 23 N 0.00 0.70 0.00 1.92 4.81 -1.12 -2.80 114.58 118.09 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 0.32 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2jrl h GLU 23 CO 0.00 1.02 0.00 0.39 -0.73 0.00 0.00 179.01 179.69 2jrl n GLU 24 N -4.23 0.95 -0.08 1.92 -0.58 -1.02 -4.83 120.64 112.77 2jrl n GLU 24 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 2jrl n GLU 24 Cb 0.51 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 2jrl n GLU 24 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jrl n GLY 25 N 0.75 0.74 3.71 0.62 0.00 -1.05 -5.06 105.19 104.90 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 -2.34 2.26 -0.59 1.61 2.02 -0.16 -4.93 117.35 115.22 2jrl s TYR 26 Ca 0.00 1.03 0.01 0.00 -0.37 0.00 0.00 57.07 57.74 2jrl s TYR 26 Cb 0.00 -3.25 0.15 0.00 -0.40 0.00 0.00 41.96 38.45 2jrl s TYR 26 CO 0.00 -2.64 0.37 -1.01 -1.57 0.00 0.00 175.55 170.70 2jrl s HIS 27 N -3.02 3.32 0.43 2.71 3.76 -0.58 -3.59 115.29 118.31 2jrl s HIS 27 Ca 0.64 -3.03 -0.24 0.00 -0.15 0.00 0.00 55.06 52.28 2jrl s HIS 27 Cb -0.18 -2.96 -0.08 0.00 1.11 0.00 0.00 32.58 30.47 2jrl s HIS 27 CO 0.56 -0.76 1.18 -1.25 -0.85 0.00 0.00 174.74 173.63 2jrl s PRO 28 N -0.38 3.92 0.16 8.40 0.04 -1.25 -2.28 135.00 143.61 2jrl s PRO 28 Ca 0.18 1.84 0.03 0.00 0.04 0.00 0.00 61.00 63.09 2jrl s PRO 28 Cb -0.21 -2.57 -0.05 0.00 0.04 0.00 0.00 34.50 31.71 2jrl s PRO 28 CO -0.03 -0.43 -0.05 0.34 0.04 0.00 0.00 177.00 176.86 2jrl s ASP 29 N -1.20 1.53 0.04 6.66 2.15 -0.94 -4.94 116.67 119.98 2jrl s ASP 29 Ca 0.60 -1.08 0.06 0.00 0.43 0.00 0.00 52.55 52.55 2jrl s ASP 29 Cb -0.30 0.05 -0.02 0.00 -0.30 0.00 0.00 42.92 42.34 2jrl s ASP 29 CO 0.38 -0.44 -0.17 0.42 -0.17 0.00 0.00 175.17 175.19 2jrl s THR 30 N -3.48 1.32 -0.24 1.71 -4.23 -1.24 -0.48 115.64 109.00 2jrl s THR 30 Ca 0.19 -1.10 -0.09 0.00 -1.18 0.00 0.00 61.69 59.52 2jrl s THR 30 Cb 0.04 -1.18 0.10 0.00 1.34 0.00 0.00 72.50 72.81 2jrl s THR 30 CO 0.02 0.06 0.52 0.00 -0.54 0.00 0.00 174.62 174.67 2jrl s ALA 31 N -0.86 -1.51 -1.10 3.99 0.00 -1.04 -4.93 121.76 116.31 2jrl s ALA 31 Ca 0.04 1.86 0.25 0.00 0.00 0.00 0.00 51.96 54.11 2jrl s ALA 31 Cb -0.08 -1.47 0.51 0.00 0.00 0.00 0.00 23.12 22.08 2jrl s ALA 31 CO 0.02 -0.77 1.42 0.36 0.00 0.00 0.00 175.76 176.79 2jrl n LYS 32 N 5.28 0.11 -3.86 0.00 0.00 -1.26 -1.05 118.16 117.38 2jrl n LYS 32 Ca -0.11 -0.06 -0.12 0.00 -0.00 0.00 0.00 58.31 58.01 2jrl n LYS 32 Cb 0.50 -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 -2.94 -0.01 0.00 0.58 -4.23 -1.26 -4.63 115.64 103.17 2jrl s THR 33 Ca 0.13 0.02 -0.25 0.00 -1.18 0.00 0.00 61.69 60.40 2jrl s THR 33 Cb 0.18 -0.02 -0.18 0.00 1.34 0.00 0.00 72.50 73.81 2jrl s THR 33 CO 0.68 0.01 1.32 -0.07 -0.54 0.00 0.00 174.62 176.02 2jrl h LEU 34 N 6.24 -0.11 -1.12 4.79 3.38 -1.94 -2.96 115.31 123.59 2jrl h LEU 34 Ca -0.26 -0.31 0.40 0.00 0.09 0.00 0.00 57.88 57.80 2jrl h LEU 34 Cb 1.20 0.03 -0.16 0.00 0.09 0.00 0.00 40.66 41.82 2jrl h LEU 34 CO 0.51 0.26 0.64 0.08 0.09 0.00 0.00 178.44 180.02 2jrl h ARG 35 N -0.50 0.11 -0.27 1.13 -0.00 -1.99 1.06 114.38 113.92 2jrl h ARG 35 Ca -0.01 -0.01 -0.17 0.00 -0.00 0.00 0.00 59.98 59.79 2jrl h ARG 35 Cb 0.41 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.36 2jrl h ARG 35 CO 0.02 0.07 -0.49 1.49 -0.00 0.00 0.00 179.97 181.06 2jrl h GLU 36 N 0.11 0.81 0.00 0.08 4.57 -1.97 -2.61 114.58 115.57 2jrl h GLU 36 Ca 0.81 -0.51 -0.01 0.00 -1.18 0.00 0.00 59.36 58.47 2jrl h GLU 36 Cb 2.20 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 30.85 2jrl h GLU 36 CO -0.63 1.14 -0.07 0.00 -1.18 0.00 0.00 179.01 178.28 2jrl h ALA 37 N 0.66 1.02 0.13 2.92 0.00 0.11 -3.05 119.26 121.05 2jrl h ALA 37 Ca 0.02 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 2jrl h ALA 37 Cb 1.10 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.90 2jrl h ALA 37 CO 0.11 0.08 -1.04 0.93 0.00 0.00 0.00 179.25 179.33 2jrl h GLU 38 N 0.00 0.47 -0.10 0.00 5.08 -0.42 -1.63 114.58 117.98 2jrl h GLU 38 Ca -0.00 -0.68 0.03 0.00 -1.00 0.00 0.00 59.36 57.71 2jrl h GLU 38 Cb 0.58 0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 2jrl h GLU 38 CO 0.01 1.30 -0.10 0.87 -1.00 0.00 0.00 179.01 180.09 2jrl h LYS 39 N -0.02 -0.12 -0.06 2.33 1.79 -1.36 -2.13 116.57 117.00 2jrl h LYS 39 Ca -0.17 0.01 -0.16 0.00 -2.18 0.00 0.00 60.65 58.15 2jrl h LYS 39 Cb 1.77 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.44 2jrl h LYS 39 CO 0.20 -0.08 -0.67 1.57 -1.08 0.00 0.00 179.45 179.39 2jrl h LYS 40 N -0.12 0.24 -0.78 3.15 2.10 -1.67 -2.74 116.57 116.76 2jrl h LYS 40 Ca 0.07 -0.19 0.12 0.00 -2.00 0.00 0.00 60.65 58.66 2jrl h LYS 40 Cb 0.23 0.03 -0.05 0.00 -0.90 0.00 0.00 32.23 31.54 2jrl h LYS 40 CO -0.18 0.82 0.51 0.82 -2.00 0.00 0.00 179.45 179.42 2jrl h ILE 41 N 0.17 0.88 -0.08 0.07 2.04 -0.78 0.18 117.51 119.99 2jrl h ILE 41 Ca -0.02 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2jrl h ILE 41 Cb 1.20 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2jrl h ILE 41 CO 0.10 0.11 0.00 0.29 0.00 0.00 0.00 178.15 178.65 2jrl n LYS 42 N -4.51 2.19 -0.00 2.37 5.02 -0.85 -3.97 118.16 118.41 2jrl n LYS 42 Ca 0.14 -1.74 0.08 0.00 -2.02 0.00 0.00 58.31 54.77 2jrl n LYS 42 Cb 0.41 -1.47 0.07 0.00 -0.02 0.00 0.00 35.03 34.03 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 1.08 1.31 -3.86 1.97 0.28 0.50 -5.01 120.64 116.91 2jrl n GLU 43 Ca 0.16 -1.49 -0.07 0.00 -0.16 0.00 0.00 57.16 55.59 2jrl n GLU 43 Cb 0.54 -1.32 -0.02 0.00 1.43 0.00 0.00 31.44 32.07 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 -1.36 -0.19 -0.24 -1.84 2.34 -0.41 -5.02 118.68 111.96 2jrl s LEU 44 Ca 0.19 -0.63 -0.14 0.00 0.06 0.00 0.00 54.13 53.62 2jrl s LEU 44 Cb 0.14 2.59 -0.04 0.00 -0.56 0.00 0.00 46.19 48.31 2jrl s LEU 44 CO 0.21 -1.30 0.32 0.12 -1.06 0.00 0.00 176.35 174.64 2jrl s PHE 45 N -3.93 3.30 -0.15 3.48 2.19 -1.26 -4.76 117.98 116.86 2jrl s PHE 45 Ca 0.12 0.42 0.01 0.00 0.33 0.00 0.00 56.93 57.81 2jrl s PHE 45 Cb -0.05 -2.48 0.02 0.00 -1.31 0.00 0.00 43.02 39.20 2jrl s PHE 45 CO 0.06 -0.09 -0.16 -0.59 1.83 0.00 0.00 175.22 176.27 2jrl s PHE 46 N 1.59 2.26 -0.02 10.12 -0.71 -1.26 -4.97 117.98 124.99 2jrl s PHE 46 Ca 0.14 -1.24 -0.21 0.00 -1.04 0.00 0.00 56.93 54.58 2jrl s PHE 46 Cb -0.15 -1.63 -0.14 0.00 -1.21 0.00 0.00 43.02 39.89 2jrl s PHE 46 CO 0.08 -0.65 0.95 -1.00 -1.34 0.00 0.00 175.22 173.26 2jrl h PRO 47 N 7.87 -0.46 -4.20 1.99 0.13 -1.95 -3.45 132.00 131.93 2jrl h PRO 47 Ca -0.38 0.03 -0.32 0.00 -0.87 0.00 0.00 66.00 64.46 2jrl h PRO 47 Cb 1.15 0.10 -0.29 0.00 0.13 0.00 0.00 31.00 32.09 2jrl h PRO 47 CO 0.54 -0.15 -0.75 0.14 -0.23 0.00 0.00 178.00 177.55 2jrl s VAL 48 N -3.95 0.37 0.04 1.56 -7.23 -1.24 -2.93 120.40 107.02 2jrl s VAL 48 Ca -0.12 -0.17 0.04 0.00 -1.81 0.00 0.00 61.98 59.91 2jrl s VAL 48 Cb 0.01 -0.33 -0.02 0.00 0.56 0.00 0.00 36.38 36.60 2jrl s VAL 48 CO 0.42 0.12 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.59 2jrl s ILE 49 N 0.04 0.87 -0.19 -0.62 1.01 -0.73 -3.51 121.20 118.08 2jrl s ILE 49 Ca -0.00 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.67 2jrl s ILE 49 Cb -0.04 -0.83 -0.01 0.00 0.01 0.00 0.00 42.46 41.60 2jrl s ILE 49 CO -0.00 -0.11 -0.09 -0.69 0.00 0.00 0.00 174.94 174.05 2jrl s VAL 50 N -0.95 3.13 -0.14 2.92 1.01 0.96 -0.83 120.40 126.50 2jrl s VAL 50 Ca -0.02 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 2jrl s VAL 50 Cb -0.08 -2.38 0.05 0.00 0.00 0.00 0.00 36.38 33.97 2jrl s VAL 50 CO 0.01 0.47 0.02 -0.22 0.00 0.00 0.00 175.10 175.38 2jrl s LEU 51 N 1.12 0.88 0.99 3.92 2.96 -0.45 0.26 118.68 128.36 2jrl s LEU 51 Ca 0.01 -0.50 -0.13 0.00 -0.22 0.00 0.00 54.13 53.29 2jrl s LEU 51 Cb -0.14 -0.51 0.18 0.00 0.50 0.00 0.00 46.19 46.22 2jrl s LEU 51 CO -0.02 -0.26 1.11 1.51 -1.32 0.00 0.00 176.35 177.37 2jrl s ASP 52 N 1.92 2.78 -0.12 3.68 -4.77 -1.10 -3.49 116.67 115.57 2jrl s ASP 52 Ca 0.02 1.04 -0.24 0.00 -3.30 0.00 0.00 52.55 50.06 2jrl s ASP 52 Cb -0.15 -1.63 -0.27 0.00 -1.09 0.00 0.00 42.92 39.78 2jrl s ASP 52 CO -0.07 -3.02 0.72 0.58 0.70 0.00 0.00 175.17 174.08 2jrl h VAL 53 N -1.82 1.52 -0.15 2.11 2.07 -0.63 -3.32 116.25 116.04 2jrl h VAL 53 Ca -0.53 -2.39 -0.02 0.00 0.82 0.00 0.00 66.70 64.57 2jrl h VAL 53 Cb 1.33 3.13 -0.00 0.00 -1.52 0.00 0.00 31.29 34.23 2jrl h VAL 53 CO 0.58 0.62 0.08 0.86 0.02 0.00 0.00 177.57 179.72 2jrl s TRP 54 N -2.33 1.22 0.01 1.57 -0.00 -1.26 -3.70 118.94 114.45 2jrl s TRP 54 Ca -0.19 2.25 0.08 0.00 -0.00 0.00 0.00 56.10 58.25 2jrl s TRP 54 Cb 0.00 -3.35 -0.02 0.00 -0.00 0.00 0.00 33.47 30.10 2jrl s TRP 54 CO 0.73 -0.77 -0.25 1.41 -0.00 0.00 0.00 176.95 178.07 2jrl s MET 55 N 8.48 1.86 -0.01 5.86 1.75 -1.26 -4.53 119.30 131.44 2jrl s MET 55 Ca 0.82 -0.99 -0.25 0.00 -1.25 0.00 0.00 55.69 54.03 2jrl s MET 55 Cb -0.06 -1.91 -0.19 0.00 2.84 0.00 0.00 34.83 35.51 2jrl s MET 55 CO 0.17 0.51 1.29 -1.00 -0.65 0.00 0.00 175.02 175.34 2jrl h PRO 56 N 5.15 0.09 0.12 4.11 0.13 -1.89 -3.32 132.00 136.39 2jrl h PRO 56 Ca -0.44 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2jrl h PRO 56 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2jrl h PRO 56 CO 0.45 0.55 -0.06 0.22 -0.23 0.00 0.00 178.00 178.93 2jrl h ASP 57 N -0.37 -0.14 -3.58 1.44 3.58 -1.97 -3.47 116.42 111.91 2jrl h ASP 57 Ca 0.01 -0.14 0.20 0.00 0.42 0.00 0.00 57.03 57.52 2jrl h ASP 57 Cb 0.53 0.04 -0.25 0.00 1.72 0.00 0.00 39.33 41.37 2jrl h ASP 57 CO 0.01 0.05 0.82 -0.83 -2.88 0.00 0.00 179.24 176.42 2jrl s GLY 58 N -2.49 -0.07 0.98 -0.78 0.00 -1.25 -5.09 107.32 98.63 2jrl s GLY 58 Ca -0.14 2.41 -0.16 0.00 0.00 0.00 0.00 44.72 46.83 2jrl s GLY 58 CO 0.64 0.99 -0.23 1.22 0.00 0.00 0.00 173.10 175.72 2jrl n ASP 59 N 0.47 -3.81 -0.00 1.64 8.00 -1.26 -4.49 116.55 117.10 2jrl n ASP 59 Ca -0.03 0.22 -0.16 0.00 0.71 0.00 0.00 54.79 55.54 2jrl n ASP 59 Cb 0.58 -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 1.23 -0.39 0.00 0.00 177.20 178.04 2jrl h GLY 60 N -1.33 0.17 0.32 0.44 0.00 -1.66 -3.23 103.07 97.77 2jrl h GLY 60 Ca -0.44 -0.44 0.13 0.00 0.00 0.00 0.00 47.33 46.58 2jrl h GLY 60 CO 0.29 0.38 0.42 -0.24 0.00 0.00 0.00 176.54 177.40 2jrl h VAL 61 N 0.04 0.78 0.00 4.60 3.04 -1.90 -0.26 116.25 122.55 2jrl h VAL 61 Ca -0.35 -0.22 -0.14 0.00 -1.01 0.00 0.00 66.70 64.97 2jrl h VAL 61 Cb 2.03 0.08 -0.02 0.00 -2.01 0.00 0.00 31.29 31.37 2jrl h VAL 61 CO 0.09 0.12 -0.69 -1.13 -1.01 0.00 0.00 177.57 174.95 2jrl h ASN 62 N 0.64 0.00 -0.46 3.17 -0.73 -1.96 -3.23 115.58 113.02 2jrl h ASN 62 Ca 0.43 0.00 0.04 0.00 1.87 0.00 0.00 56.30 58.64 2jrl h ASN 62 Cb 0.55 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.11 2jrl h ASN 62 CO -0.33 0.69 0.31 0.15 -0.37 0.00 0.00 177.43 177.88 2jrl h PHE 63 N 0.00 0.45 -0.80 0.67 3.57 -1.07 -2.16 116.94 117.61 2jrl h PHE 63 Ca -0.01 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.66 2jrl h PHE 63 Cb 1.45 -0.15 -0.10 0.00 2.79 0.00 0.00 35.95 39.94 2jrl h PHE 63 CO 0.00 0.26 0.34 0.82 -2.23 0.00 0.00 178.31 177.50 2jrl h ILE 64 N 0.47 0.63 -0.90 1.41 2.04 -1.48 -1.43 117.51 118.25 2jrl h ILE 64 Ca 0.19 -0.16 0.23 0.00 1.00 0.00 0.00 64.86 66.12 2jrl h ILE 64 Cb 0.17 0.12 -0.17 0.00 -0.74 0.00 0.00 36.82 36.20 2jrl h ILE 64 CO -0.05 0.09 -0.05 -0.67 0.00 0.00 0.00 178.15 177.47 2jrl n ASP 65 N -4.99 -0.16 -0.06 1.72 2.03 -0.81 0.78 116.55 115.06 2jrl n ASP 65 Ca 0.16 1.54 -0.12 0.00 0.52 0.00 0.00 54.79 56.90 2jrl n ASP 65 Cb 0.46 -0.54 -0.06 0.00 -0.72 0.00 0.00 41.12 40.27 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 0.38 -0.22 -0.67 3.57 -1.44 -2.89 116.94 115.67 2jrl h PHE 66 Ca 0.52 -0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.98 2jrl h PHE 66 Cb 1.01 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.62 2jrl h PHE 66 CO -0.52 0.59 0.00 0.82 -2.23 0.00 0.00 178.31 176.97 2jrl h ILE 67 N 0.06 0.84 0.00 1.41 2.04 0.42 0.10 117.51 122.39 2jrl h ILE 67 Ca 0.05 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2jrl h ILE 67 Cb 0.46 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2jrl h ILE 67 CO 0.02 0.01 0.00 0.29 0.00 0.00 0.00 178.15 178.47 2jrl n LYS 68 N -5.14 0.01 -0.05 2.37 4.76 0.86 0.12 118.16 121.08 2jrl n LYS 68 Ca -0.02 0.38 -0.20 0.00 -2.87 0.00 0.00 58.31 55.60 2jrl n LYS 68 Cb 0.12 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 31.68 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 -1.47 0.71 -0.48 1.97 2.13 0.23 -3.96 120.64 119.78 2jrl n GLU 69 Ca 0.02 0.22 0.06 0.00 0.66 0.00 0.00 57.16 58.12 2jrl n GLU 69 Cb 0.06 -1.63 0.24 0.00 0.27 0.00 0.00 31.44 30.38 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 -3.43 3.53 0.00 4.31 0.23 -0.43 -4.76 115.26 114.71 2jrl n ASN 70 Ca -0.38 -3.15 0.00 0.00 -0.53 0.00 0.00 54.58 50.52 2jrl n ASN 70 Cb 1.02 -0.55 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 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 -0.70 0.00 -0.11 0.53 2.88 0.31 -4.97 113.62 111.56 2jrl n SER 71 Ca 0.23 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.64 2jrl n SER 71 Cb 0.90 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.33 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 -2.83 132.00 127.01 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 -4.82 1.44 8.00 -1.26 -4.80 116.55 110.97 2jrl n ASP 73 Ca -0.03 0.08 -0.33 0.00 0.71 0.00 0.00 54.79 55.23 2jrl n ASP 73 Cb 0.51 -0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 2jrl n ASP 73 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2jrl s SER 74 N -2.66 6.39 -0.11 -2.24 0.01 -1.07 -4.95 113.70 109.08 2jrl s SER 74 Ca 0.19 1.73 0.02 0.00 1.31 0.00 0.00 55.95 59.19 2jrl s SER 74 Cb 0.15 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.86 2jrl s SER 74 CO 0.35 -0.74 -0.16 -0.69 0.41 0.00 0.00 173.24 172.41 2jrl s VAL 75 N -2.38 1.53 0.08 3.43 1.01 -1.15 -5.00 120.40 117.92 2jrl s VAL 75 Ca 0.62 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 62.03 2jrl s VAL 75 Cb -0.13 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 2jrl s VAL 75 CO 0.28 0.45 -0.25 -0.69 0.00 0.00 0.00 175.10 174.88 2jrl s VAL 76 N 0.98 2.08 -0.17 2.92 1.01 -1.12 -1.77 120.40 124.33 2jrl s VAL 76 Ca -0.07 -1.49 -0.04 0.00 0.00 0.00 0.00 61.98 60.38 2jrl s VAL 76 Cb -0.15 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 2jrl s VAL 76 CO -0.02 0.23 -0.02 -0.63 0.00 0.00 0.00 175.10 174.66 2jrl s ILE 77 N -0.91 3.96 -0.24 2.22 1.09 -0.01 -1.44 121.20 125.88 2jrl s ILE 77 Ca 0.11 -0.33 -0.10 0.00 -1.10 0.00 0.00 60.65 59.24 2jrl s ILE 77 Cb -0.10 -2.76 -0.05 0.00 -1.06 0.00 0.00 42.46 38.50 2jrl s ILE 77 CO 0.03 0.47 0.15 -0.69 -0.10 0.00 0.00 174.94 174.81 2jrl s VAL 78 N 0.57 5.33 0.00 2.92 1.01 -1.19 -1.34 120.40 127.71 2jrl s VAL 78 Ca -0.02 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.17 2jrl s VAL 78 Cb -0.14 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 2jrl s VAL 78 CO 0.02 0.35 -0.11 0.27 0.00 0.00 0.00 175.10 175.64 2jrl s ILE 79 N 1.00 0.89 -0.13 2.22 -4.36 -1.23 -3.21 121.20 116.38 2jrl s ILE 79 Ca 0.07 -0.60 -0.15 0.00 -0.26 0.00 0.00 60.65 59.71 2jrl s ILE 79 Cb -0.13 -0.76 0.04 0.00 1.25 0.00 0.00 42.46 42.85 2jrl s ILE 79 CO 0.04 0.16 0.41 0.28 0.24 0.00 0.00 174.94 176.07 2jrl s THR 80 N -0.43 0.01 -0.29 8.37 -1.32 -1.14 0.18 115.64 121.03 2jrl s THR 80 Ca 0.03 -0.08 0.21 0.00 -1.21 0.00 0.00 61.69 60.64 2jrl s THR 80 Cb -0.05 -0.61 0.14 0.00 -1.51 0.00 0.00 72.50 70.47 2jrl s THR 80 CO -0.00 -0.04 1.33 1.23 -2.21 0.00 0.00 174.62 174.93 2jrl h GLY 81 N 5.12 0.00 2.00 6.08 0.00 -1.88 -2.96 103.07 111.42 2jrl h GLY 81 Ca -0.27 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2jrl h GLY 81 CO 0.27 0.00 -0.07 0.45 0.00 0.00 0.00 176.54 177.20 2jrl h HIS 82 N 0.00 0.00 -3.00 5.60 3.86 -1.99 -3.43 115.15 116.19 2jrl h HIS 82 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2jrl h HIS 82 Cb 1.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.61 2jrl h HIS 82 CO 0.00 0.07 -0.71 0.41 0.86 0.00 0.00 177.93 178.55 2jrl n GLY 83 N -1.31 -4.47 0.00 2.45 0.00 -1.24 -5.09 105.19 95.53 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 -0.28 0.00 -0.09 1.61 2.88 -1.26 -5.05 113.62 111.43 2jrl n SER 84 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 2jrl n SER 84 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 2jrl n SER 84 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 2jrl h VAL 85 N 0.00 1.29 0.54 2.46 3.04 -1.98 -1.34 116.25 120.27 2jrl h VAL 85 Ca 0.00 -1.20 -0.02 0.00 -1.01 0.00 0.00 66.70 64.47 2jrl h VAL 85 Cb 0.00 1.50 -0.01 0.00 -2.01 0.00 0.00 31.29 30.77 2jrl h VAL 85 CO 0.00 0.38 -0.34 0.44 -1.01 0.00 0.00 177.57 177.04 2jrl h ASP 86 N 0.31 -0.86 0.09 3.17 3.32 -2.00 -1.48 116.42 118.96 2jrl h ASP 86 Ca 0.06 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2jrl h ASP 86 Cb 0.63 0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.44 2jrl h ASP 86 CO 0.04 -0.53 -0.06 0.74 -1.72 0.00 0.00 179.24 177.70 2jrl h THR 87 N -0.84 0.85 -0.23 0.35 2.02 -1.97 -2.48 112.91 110.61 2jrl h THR 87 Ca -0.06 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 2jrl h THR 87 Cb 0.69 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 2jrl h THR 87 CO 0.06 0.06 -0.01 0.00 0.37 0.00 0.00 175.52 176.00 2jrl h ALA 88 N 1.94 0.31 0.70 6.16 0.00 -0.67 -2.11 119.26 125.59 2jrl h ALA 88 Ca -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2jrl h ALA 88 Cb 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jrl h ALA 88 CO 0.01 0.04 -0.43 0.28 0.00 0.00 0.00 179.25 179.16 2jrl h VAL 89 N 0.17 0.14 -0.41 0.00 2.07 -0.82 -0.46 116.25 116.94 2jrl h VAL 89 Ca 0.06 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.70 2jrl h VAL 89 Cb 0.42 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2jrl h VAL 89 CO 0.01 0.00 0.34 0.07 0.02 0.00 0.00 177.57 178.01 2jrl h LYS 90 N -1.06 0.00 0.00 1.57 2.10 -1.58 0.57 116.57 118.17 2jrl h LYS 90 Ca -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 2jrl h LYS 90 Cb 0.85 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.18 2jrl h LYS 90 CO 0.09 0.00 -0.20 0.00 -2.00 0.00 0.00 179.45 177.35 2jrl n ALA 91 N -2.50 2.55 0.02 0.07 0.00 -0.79 -2.93 120.51 116.93 2jrl n ALA 91 Ca 0.07 -0.12 -0.18 0.00 0.00 0.00 0.00 53.44 53.21 2jrl n ALA 91 Cb 0.53 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.47 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 0.83 0.00 0.00 1.08 0.18 -2.19 117.51 117.40 2jrl h ILE 92 Ca 0.00 -2.54 0.00 0.00 -0.39 0.00 0.00 64.86 61.93 2jrl h ILE 92 Cb 0.68 2.58 0.00 0.00 -3.07 0.00 0.00 36.82 37.01 2jrl h ILE 92 CO 0.00 0.79 0.00 0.11 -0.69 0.00 0.00 178.15 178.36 2jrl h LYS 93 N 0.06 0.00 0.17 2.37 1.57 -1.45 -3.30 116.57 115.98 2jrl h LYS 93 Ca -0.34 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 2jrl h LYS 93 Cb 2.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.35 2jrl h LYS 93 CO 0.12 0.00 -0.08 -0.22 -0.57 0.00 0.00 179.45 178.69 2jrl h LYS 94 N 0.00 -0.22 0.00 3.15 1.63 -1.65 -3.47 116.57 116.01 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 0.79 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.47 2jrl h LYS 94 CO 0.00 -0.15 -0.00 0.41 -3.45 0.00 0.00 179.45 176.26 2jrl n GLY 95 N 1.09 0.23 3.56 5.01 0.00 -1.24 -4.89 105.19 108.95 2jrl n GLY 95 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2jrl n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jrl s ALA 96 N 0.00 3.52 0.25 4.61 0.00 -0.82 -2.79 121.76 126.52 2jrl s ALA 96 Ca 0.00 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.77 2jrl s ALA 96 Cb 0.00 -2.64 0.30 0.00 0.00 0.00 0.00 23.12 20.78 2jrl s ALA 96 CO 0.00 -0.83 1.62 -0.92 0.00 0.00 0.00 175.76 175.62 2jrl h TYR 97 N 8.42 0.46 -2.79 0.00 3.20 -1.54 -3.40 116.97 121.32 2jrl h TYR 97 Ca -0.32 -0.14 -0.10 0.00 3.14 0.00 0.00 58.73 61.31 2jrl h TYR 97 Cb 1.17 -0.09 -0.19 0.00 1.54 0.00 0.00 36.73 39.15 2jrl h TYR 97 CO 0.71 0.77 -0.14 -2.00 -1.64 0.00 0.00 178.16 175.86 2jrl s GLU 98 N -4.08 0.80 -0.27 1.82 2.56 -1.26 -5.09 118.70 113.18 2jrl s GLU 98 Ca -0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 54.97 54.77 2jrl s GLU 98 Cb 0.13 0.36 0.03 0.00 2.00 0.00 0.00 34.13 36.65 2jrl s GLU 98 CO 0.80 -0.24 -0.02 0.12 -0.56 0.00 0.00 175.26 175.36 2jrl s PHE 99 N -1.49 3.11 -0.06 5.30 2.19 -1.26 -3.17 117.98 122.61 2jrl s PHE 99 Ca -0.12 -1.50 0.04 0.00 0.33 0.00 0.00 56.93 55.69 2jrl s PHE 99 Cb -0.03 -2.10 0.00 0.00 -1.31 0.00 0.00 43.02 39.57 2jrl s PHE 99 CO 0.05 -0.71 -0.18 -0.51 1.83 0.00 0.00 175.22 175.69 2jrl s LEU 100 N 1.35 1.89 0.00 6.12 1.43 -1.20 -5.05 118.68 123.23 2jrl s LEU 100 Ca -0.00 -0.39 -0.16 0.00 -1.03 0.00 0.00 54.13 52.55 2jrl s LEU 100 Cb -0.17 -1.04 0.25 0.00 0.03 0.00 0.00 46.19 45.26 2jrl s LEU 100 CO -0.03 0.13 0.67 -0.62 0.23 0.00 0.00 176.35 176.74 2jrl n GLU 101 N 3.34 -3.51 0.38 1.70 1.02 -1.26 -2.86 120.64 119.45 2jrl n GLU 101 Ca -0.19 -1.10 -0.18 0.00 -0.02 0.00 0.00 57.16 55.66 2jrl n GLU 101 Cb 0.53 -1.27 -0.09 0.00 -0.02 0.00 0.00 31.44 30.58 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 -1.06 -6.41 3.49 1.63 -1.80 -3.42 116.57 109.01 2jrl h LYS 102 Ca -0.28 0.07 -0.54 0.00 -0.85 0.00 0.00 60.65 59.05 2jrl h LYS 102 Cb 0.92 0.24 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 2jrl h LYS 102 CO 0.18 -0.71 0.84 -1.25 -3.45 0.00 0.00 179.45 175.06 2jrl s PRO 103 N -5.74 4.28 -0.03 1.90 0.04 -1.26 -5.00 135.00 129.20 2jrl s PRO 103 Ca -0.18 2.02 -0.21 0.00 0.04 0.00 0.00 61.00 62.67 2jrl s PRO 103 Cb 0.03 -3.53 0.04 0.00 0.04 0.00 0.00 34.50 31.08 2jrl s PRO 103 CO 0.56 -0.57 0.46 -0.59 0.04 0.00 0.00 177.00 176.90 2jrl s PHE 104 N 2.25 -0.37 0.14 0.56 -0.12 -1.26 -5.11 117.98 114.07 2jrl s PHE 104 Ca 0.65 0.61 0.06 0.00 -0.05 0.00 0.00 56.93 58.19 2jrl s PHE 104 Cb -0.33 0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.24 2jrl s PHE 104 CO 0.28 -0.48 0.05 -1.12 -0.05 0.00 0.00 175.22 173.90 2jrl s SER 105 N -1.28 5.14 0.55 1.98 0.01 -1.26 -4.95 113.70 113.90 2jrl s SER 105 Ca -0.13 -0.22 0.34 0.00 1.31 0.00 0.00 55.95 57.26 2jrl s SER 105 Cb -0.03 -1.24 1.50 0.00 0.21 0.00 0.00 66.02 66.46 2jrl s SER 105 CO 0.07 0.11 1.82 1.62 0.41 0.00 0.00 173.24 177.27 2jrl h VAL 106 N 2.45 0.43 -0.16 3.43 3.04 -2.02 0.34 116.25 123.77 2jrl h VAL 106 Ca -0.47 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.21 2jrl h VAL 106 Cb 1.19 0.46 -0.01 0.00 -2.01 0.00 0.00 31.29 30.92 2jrl h VAL 106 CO 0.61 0.00 0.09 -0.08 -1.01 0.00 0.00 177.57 177.18 2jrl h GLU 107 N 0.00 0.22 0.00 4.17 4.81 -1.99 0.14 114.58 121.93 2jrl h GLU 107 Ca 0.48 -0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 59.46 2jrl h GLU 107 Cb 1.99 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 31.29 2jrl h GLU 107 CO -0.01 0.21 -1.19 -0.09 -0.73 0.00 0.00 179.01 177.21 2jrl h ARG 108 N 0.16 0.00 -0.02 1.92 9.65 -1.25 -3.06 114.38 121.78 2jrl h ARG 108 Ca 0.06 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 2jrl h ARG 108 Cb 0.06 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.63 2jrl h ARG 108 CO -0.01 0.81 -0.00 0.35 2.80 0.00 0.00 179.97 183.92 2jrl h PHE 109 N 0.00 0.03 -0.55 2.20 3.57 -0.34 -2.57 116.94 119.28 2jrl h PHE 109 Ca -0.09 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.34 2jrl h PHE 109 Cb 1.81 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 40.52 2jrl h PHE 109 CO 0.00 0.38 0.08 1.37 -2.23 0.00 0.00 178.31 177.91 2jrl h LEU 110 N -0.32 0.84 -1.73 0.59 8.10 -0.85 -2.37 115.31 119.58 2jrl h LEU 110 Ca 0.00 -0.18 -0.02 0.00 0.11 0.00 0.00 57.88 57.80 2jrl h LEU 110 Cb 0.37 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 40.36 2jrl h LEU 110 CO 0.00 0.85 0.00 0.25 -4.11 0.00 0.00 178.44 175.44 2jrl h LEU 111 N 0.84 0.15 -0.00 0.17 5.85 -1.49 -0.86 115.31 119.97 2jrl h LEU 111 Ca 0.17 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 2jrl h LEU 111 Cb 0.38 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 2jrl h LEU 111 CO 0.01 0.19 -0.00 0.74 -0.34 0.00 0.00 178.44 179.03 2jrl h THR 112 N 0.17 1.42 0.84 1.05 2.02 -1.01 -2.85 112.91 114.55 2jrl h THR 112 Ca 0.04 -1.24 -0.04 0.00 0.77 0.00 0.00 66.41 65.94 2jrl h THR 112 Cb 0.12 2.25 0.01 0.00 -1.74 0.00 0.00 68.15 68.79 2jrl h THR 112 CO 0.00 0.32 -0.40 0.40 0.37 0.00 0.00 175.52 176.21 2jrl h ILE 113 N -0.52 0.04 -0.93 3.11 1.08 -1.27 0.35 117.51 119.37 2jrl h ILE 113 Ca 0.00 -0.16 0.27 0.00 -0.39 0.00 0.00 64.86 64.58 2jrl h ILE 113 Cb 0.53 0.04 -0.16 0.00 -3.07 0.00 0.00 36.82 34.16 2jrl h ILE 113 CO 0.00 0.00 0.18 0.50 -0.69 0.00 0.00 178.15 178.14 2jrl h LYS 114 N -1.28 0.10 0.00 2.37 3.64 -1.29 1.01 116.57 121.11 2jrl h LYS 114 Ca -0.11 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.10 2jrl h LYS 114 Cb 0.87 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 2jrl h LYS 114 CO 0.19 0.06 -0.75 0.45 -2.27 0.00 0.00 179.45 177.13 2jrl h HIS 115 N 0.10 0.00 -0.60 1.91 3.86 -1.40 -3.15 115.15 115.88 2jrl h HIS 115 Ca 0.60 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.90 2jrl h HIS 115 Cb 1.27 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.68 2jrl h HIS 115 CO -0.33 0.75 0.23 0.00 0.86 0.00 0.00 177.93 179.44 2jrl h ALA 116 N 1.25 0.77 0.21 2.45 0.00 0.53 -0.20 119.26 124.27 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 1.46 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2jrl h ALA 116 CO 0.10 -0.17 -0.10 0.74 0.00 0.00 0.00 179.25 179.81 2jrl h PHE 117 N 0.42 -0.27 -1.00 0.00 -1.00 -1.48 -2.40 116.94 111.22 2jrl h PHE 117 Ca 0.30 -0.01 0.37 0.00 2.81 0.00 0.00 57.97 61.44 2jrl h PHE 117 Cb 0.34 0.09 -0.18 0.00 3.61 0.00 0.00 35.95 39.81 2jrl h PHE 117 CO -0.16 -0.17 0.38 0.93 -1.61 0.00 0.00 178.31 177.69 2jrl h GLU 118 N -0.68 0.01 0.20 1.51 5.08 -1.53 0.34 114.58 119.50 2jrl h GLU 118 Ca -0.03 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2jrl h GLU 118 Cb 0.22 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2jrl h GLU 118 CO 0.05 0.01 -0.09 1.49 -1.00 0.00 0.00 179.01 179.46 2jrl h GLU 119 N 0.01 -0.25 -1.01 2.33 4.57 -1.10 -3.07 114.58 116.06 2jrl h GLU 119 Ca 0.77 0.02 0.24 0.00 -1.18 0.00 0.00 59.36 59.20 2jrl h GLU 119 Cb 1.93 0.06 -0.10 0.00 -0.16 0.00 0.00 28.75 30.48 2jrl h GLU 119 CO -0.82 0.08 0.64 -0.92 -1.18 0.00 0.00 179.01 176.81 2jrl h TYR 120 N -0.62 0.77 0.00 0.92 5.03 0.15 -3.51 116.97 119.71 2jrl h TYR 120 Ca -0.03 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2jrl h TYR 120 Cb 0.45 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.51 2jrl h TYR 120 CO 0.03 0.11 0.00 0.45 -1.32 0.00 0.00 178.16 177.44