#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxx n GLU 21 N 0.00 0.62 -3.67 1.09 2.13 -1.26 -4.91 120.64 114.64 2jxx n GLU 21 Ca 0.00 0.20 -0.37 0.00 0.66 0.00 0.00 57.16 57.65 2jxx n GLU 21 Cb 0.00 -1.50 -0.11 0.00 0.27 0.00 0.00 31.44 30.10 2jxx n GLU 21 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2jxx s THR 22 N -2.51 5.04 -1.01 6.31 -4.23 -1.26 -5.02 115.64 112.96 2jxx s THR 22 Ca -0.37 0.07 -0.19 0.00 -1.18 0.00 0.00 61.69 60.02 2jxx s THR 22 Cb 0.12 -3.38 -0.09 0.00 1.34 0.00 0.00 72.50 70.49 2jxx s THR 22 CO 0.55 0.30 2.02 -1.20 -0.54 0.00 0.00 174.62 175.75 2jxx n SER 23 N 4.83 2.99 0.12 3.99 7.64 -1.26 -4.42 113.62 127.51 2jxx n SER 23 Ca -0.15 -2.73 -0.22 0.00 1.01 0.00 0.00 58.87 56.78 2jxx n SER 23 Cb 0.52 -1.31 -0.15 0.00 -1.01 0.00 0.00 64.21 62.26 2jxx n SER 23 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 2jxx h GLN 24 N 7.31 0.44 -6.55 1.43 3.07 -1.98 -3.46 115.11 115.36 2jxx h GLN 24 Ca 0.47 -0.75 -0.66 0.00 0.09 0.00 0.00 58.65 57.80 2jxx h GLN 24 Cb 0.67 0.28 -0.16 0.00 0.08 0.00 0.00 27.48 28.35 2jxx h GLN 24 CO 1.92 1.35 -0.74 1.14 0.09 0.00 0.00 178.83 182.59 2jxx s GLN 25 N -2.62 2.05 -0.14 0.06 -2.07 -1.26 -1.91 119.66 113.78 2jxx s GLN 25 Ca -0.08 -1.12 -0.00 0.00 -1.82 0.00 0.00 55.36 52.33 2jxx s GLN 25 Cb 0.05 -2.23 -0.01 0.00 -1.09 0.00 0.00 33.01 29.73 2jxx s GLN 25 CO 0.92 0.48 -0.13 -0.51 -1.32 0.00 0.00 175.29 174.73 2jxx s LEU 26 N -2.38 2.69 -0.52 2.60 1.43 0.65 -4.86 118.68 118.30 2jxx s LEU 26 Ca 0.22 -0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 52.77 2jxx s LEU 26 Cb -0.10 -1.61 0.06 0.00 0.03 0.00 0.00 46.19 44.56 2jxx s LEU 26 CO 0.14 0.15 0.67 -1.10 0.23 0.00 0.00 176.35 176.43 2jxx s GLN 27 N 0.46 3.14 -0.09 1.70 -0.21 -1.26 -1.15 119.66 122.25 2jxx s GLN 27 Ca -0.09 -0.84 0.00 0.00 0.02 0.00 0.00 55.36 54.45 2jxx s GLN 27 Cb -0.16 -4.10 -0.02 0.00 1.00 0.00 0.00 33.01 29.73 2jxx s GLN 27 CO 0.05 -1.28 -0.10 -0.51 -2.12 0.00 0.00 175.29 171.33 2jxx s LEU 28 N 2.81 2.96 -0.39 2.90 1.43 -0.51 -1.15 118.68 126.72 2jxx s LEU 28 Ca 0.17 -0.16 -0.18 0.00 -1.03 0.00 0.00 54.13 52.93 2jxx s LEU 28 Cb -0.19 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.39 2jxx s LEU 28 CO 0.12 0.27 0.47 -0.13 0.23 0.00 0.00 176.35 177.32 2jxx s ARG 29 N -0.29 3.32 -0.19 1.70 0.52 -0.58 -1.81 118.95 121.61 2jxx s ARG 29 Ca 0.03 -0.51 -0.09 0.00 -0.52 0.00 0.00 55.73 54.64 2jxx s ARG 29 Cb -0.13 -3.90 -0.05 0.00 0.52 0.00 0.00 34.95 31.39 2jxx s ARG 29 CO 0.03 -0.78 0.11 0.08 0.02 0.00 0.00 175.30 174.76 2jxx s VAL 30 N 2.28 5.21 0.04 3.52 1.01 0.66 -0.77 120.40 132.35 2jxx s VAL 30 Ca 0.15 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.29 2jxx s VAL 30 Cb -0.16 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 2jxx s VAL 30 CO 0.14 0.45 -0.13 -1.10 0.00 0.00 0.00 175.10 174.46 2jxx s GLN 31 N 0.36 0.85 0.61 2.72 -0.21 -0.23 -0.78 119.66 122.98 2jxx s GLN 31 Ca 0.06 -0.77 -0.06 0.00 0.02 0.00 0.00 55.36 54.62 2jxx s GLN 31 Cb -0.11 -0.83 0.13 0.00 1.00 0.00 0.00 33.01 33.20 2jxx s GLN 31 CO -0.01 0.20 0.83 0.41 -2.12 0.00 0.00 175.29 174.60 2jxx n GLY 32 N 1.79 -0.31 0.17 3.09 0.00 -0.98 -0.79 105.19 108.16 2jxx n GLY 32 Ca -0.19 -1.86 0.08 0.00 0.00 0.00 0.00 46.02 44.05 2jxx n GLY 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jxx n LYS 33 N -2.66 -0.04 -3.01 1.61 5.02 -0.06 -3.48 118.16 115.55 2jxx n LYS 33 Ca 0.12 0.72 -0.42 0.00 -2.02 0.00 0.00 58.31 56.71 2jxx n LYS 33 Cb 0.42 -1.15 -0.06 0.00 -0.02 0.00 0.00 35.03 34.22 2jxx n LYS 33 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2jxx s GLU 34 N -5.27 3.75 0.53 1.97 2.56 -1.26 -4.95 118.70 116.02 2jxx s GLU 34 Ca -0.06 0.25 0.31 0.00 0.00 0.00 0.00 54.97 55.47 2jxx s GLU 34 Cb 0.14 -3.80 1.16 0.00 2.00 0.00 0.00 34.13 33.64 2jxx s GLU 34 CO 0.38 -0.80 1.91 1.57 -0.56 0.00 0.00 175.26 177.76 2jxx h LYS 35 N 8.44 0.00 0.00 4.30 2.10 -1.93 -1.89 116.57 127.58 2jxx h LYS 35 Ca -0.25 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.33 2jxx h LYS 35 Cb 1.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.42 2jxx h LYS 35 CO 0.88 0.02 -0.32 0.45 -2.00 0.00 0.00 179.45 178.48 2jxx h HIS 36 N 0.00 0.00 -0.83 0.07 3.86 -1.92 -3.37 115.15 112.96 2jxx h HIS 36 Ca -0.00 0.00 -0.44 0.00 -1.16 0.00 0.00 60.37 58.77 2jxx h HIS 36 Cb 0.61 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.01 2jxx h HIS 36 CO 0.00 0.32 1.19 -1.14 0.86 0.00 0.00 177.93 179.16 2jxx s GLN 37 N -4.00 3.04 -0.07 2.45 2.00 -0.71 -4.95 119.66 117.42 2jxx s GLN 37 Ca -0.02 -0.87 0.03 0.00 -2.00 0.00 0.00 55.36 52.51 2jxx s GLN 37 Cb 0.13 -5.24 -0.02 0.00 0.80 0.00 0.00 33.01 28.68 2jxx s GLN 37 CO 0.68 -2.95 -0.17 0.99 -0.50 0.00 0.00 175.29 173.34 2jxx s THR 38 N 7.89 2.80 0.04 -0.34 2.01 -1.26 -2.31 115.64 124.47 2jxx s THR 38 Ca 0.60 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.82 2jxx s THR 38 Cb -0.02 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 2jxx s THR 38 CO -0.01 0.57 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.21 2jxx s LEU 39 N -0.34 2.28 -0.07 4.42 2.96 0.04 -5.02 118.68 122.95 2jxx s LEU 39 Ca 0.03 -0.59 0.01 0.00 -0.22 0.00 0.00 54.13 53.36 2jxx s LEU 39 Cb -0.13 -0.08 0.02 0.00 0.50 0.00 0.00 46.19 46.51 2jxx s LEU 39 CO 0.02 -0.26 -0.07 -1.83 -1.32 0.00 0.00 176.35 172.89 2jxx s GLU 40 N -1.81 1.29 0.03 1.98 -1.05 -1.26 -0.25 118.70 117.63 2jxx s GLU 40 Ca -0.09 -0.23 0.02 0.00 -0.15 0.00 0.00 54.97 54.52 2jxx s GLU 40 Cb -0.08 -1.24 -0.02 0.00 -0.44 0.00 0.00 34.13 32.35 2jxx s GLU 40 CO -0.01 -0.11 -0.08 0.54 0.95 0.00 0.00 175.26 176.55 2jxx s VAL 41 N 1.13 0.59 -0.42 1.83 0.11 -0.75 -4.98 120.40 117.91 2jxx s VAL 41 Ca -0.07 -0.92 -0.20 0.00 -2.93 0.00 0.00 61.98 57.87 2jxx s VAL 41 Cb -0.14 -0.62 0.02 0.00 -1.53 0.00 0.00 36.38 34.11 2jxx s VAL 41 CO -0.01 -0.25 0.60 -0.44 -3.33 0.00 0.00 175.10 171.67 2jxx s SER 42 N -1.27 6.31 -0.14 3.54 0.01 -1.26 -1.43 113.70 119.45 2jxx s SER 42 Ca -0.06 -0.34 -0.03 0.00 1.31 0.00 0.00 55.95 56.84 2jxx s SER 42 Cb -0.08 -2.30 -0.02 0.00 0.21 0.00 0.00 66.02 63.82 2jxx s SER 42 CO 0.00 -0.70 -0.06 -0.22 0.41 0.00 0.00 173.24 172.67 2jxx s LEU 43 N 2.66 3.13 0.39 2.44 2.96 -0.30 -4.96 118.68 124.99 2jxx s LEU 43 Ca 0.21 -0.16 -0.24 0.00 -0.22 0.00 0.00 54.13 53.71 2jxx s LEU 43 Cb -0.15 -1.74 -0.09 0.00 0.50 0.00 0.00 46.19 44.71 2jxx s LEU 43 CO 0.17 0.19 1.05 -0.55 -1.32 0.00 0.00 176.35 175.88 2jxx s SER 44 N 0.26 6.80 0.62 3.68 0.15 -1.26 -0.25 113.70 123.69 2jxx s SER 44 Ca -0.04 2.04 0.38 0.00 0.70 0.00 0.00 55.95 59.03 2jxx s SER 44 Cb -0.14 -2.59 2.02 0.00 -1.71 0.00 0.00 66.02 63.60 2jxx s SER 44 CO 0.03 -0.46 2.25 0.08 1.20 0.00 0.00 173.24 176.34 2jxx h ARG 45 N 2.56 0.00 -0.00 5.44 0.11 -1.71 -1.56 114.38 119.21 2jxx h ARG 45 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 2jxx h ARG 45 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2jxx h ARG 45 CO 0.63 0.02 -0.54 -0.40 0.10 0.00 0.00 179.97 179.77 2jxx n ASP 46 N -3.26 1.05 -4.76 0.08 5.75 -1.26 -3.10 116.55 111.05 2jxx n ASP 46 Ca -0.02 -1.03 -0.38 0.00 -0.01 0.00 0.00 54.79 53.35 2jxx n ASP 46 Cb 0.14 0.79 -0.06 0.00 -1.03 0.00 0.00 41.12 40.96 2jxx n ASP 46 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2jxx s SER 47 N -2.17 6.87 0.75 -1.12 0.01 -0.59 -4.99 113.70 112.46 2jxx s SER 47 Ca 0.08 1.04 -0.14 0.00 1.31 0.00 0.00 55.95 58.24 2jxx s SER 47 Cb 0.12 -2.33 0.05 0.00 0.21 0.00 0.00 66.02 64.07 2jxx s SER 47 CO 0.52 0.11 1.18 -2.84 0.41 0.00 0.00 173.24 172.62 2jxx s PRO 48 N -0.13 2.07 0.52 12.44 0.02 -1.26 -4.31 135.00 144.35 2jxx s PRO 48 Ca 0.28 1.65 0.27 0.00 0.02 0.00 0.00 61.00 63.23 2jxx s PRO 48 Cb -0.17 -1.84 1.40 0.00 0.02 0.00 0.00 34.50 33.91 2jxx s PRO 48 CO 0.15 -1.86 1.95 -0.07 -0.33 0.00 0.00 177.00 176.84 2jxx h LEU 49 N -0.52 0.03 -1.30 -5.54 -0.00 -0.91 -2.70 115.31 104.37 2jxx h LEU 49 Ca -0.47 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.47 2jxx h LEU 49 Cb 1.28 -0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.89 2jxx h LEU 49 CO 0.49 0.01 0.51 0.07 -0.00 0.00 0.00 178.44 179.52 2jxx h LYS 50 N 0.03 0.84 -0.16 1.13 5.09 -1.55 0.97 116.57 122.91 2jxx h LYS 50 Ca 0.33 -0.05 -0.11 0.00 0.09 0.00 0.00 60.65 60.91 2jxx h LYS 50 Cb 1.26 -0.19 -0.01 0.00 0.10 0.00 0.00 32.23 33.39 2jxx h LYS 50 CO -0.01 0.55 -0.37 0.00 -2.09 0.00 0.00 179.45 177.53 2jxx h THR 51 N 0.86 1.29 -0.28 0.07 1.03 -1.78 -1.23 112.91 112.87 2jxx h THR 51 Ca 0.33 -1.45 -0.16 0.00 -0.01 0.00 0.00 66.41 65.12 2jxx h THR 51 Cb 0.19 1.57 -0.00 0.00 -1.07 0.00 0.00 68.15 68.84 2jxx h THR 51 CO -0.11 0.44 -0.48 0.25 -0.01 0.00 0.00 175.52 175.61 2jxx h LEU 52 N 0.29 0.83 -0.98 0.00 6.46 -1.44 -2.75 115.31 117.73 2jxx h LEU 52 Ca 0.03 -0.42 0.00 0.00 -0.12 0.00 0.00 57.88 57.38 2jxx h LEU 52 Cb 0.78 -0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 40.43 2jxx h LEU 52 CO 0.06 1.18 0.61 0.24 -0.62 0.00 0.00 178.44 179.91 2jxx h MET 53 N 0.60 1.31 -0.56 1.25 2.86 -0.44 -1.02 114.93 118.93 2jxx h MET 53 Ca 0.03 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.49 2jxx h MET 53 Cb 1.06 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 32.41 2jxx h MET 53 CO 0.10 0.89 0.02 0.77 1.06 0.00 0.00 176.91 179.76 2jxx h SER 54 N 1.34 0.91 -0.13 1.22 0.02 -1.23 -2.85 113.55 112.82 2jxx h SER 54 Ca 0.35 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2jxx h SER 54 Cb -0.10 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.19 2jxx h SER 54 CO -0.07 0.96 -0.03 -0.74 -1.14 0.00 0.00 176.83 175.80 2jxx h HIS 55 N 0.87 0.29 0.24 3.45 6.17 -1.05 -2.34 115.15 122.78 2jxx h HIS 55 Ca 0.17 -0.06 0.01 0.00 0.71 0.00 0.00 60.37 61.19 2jxx h HIS 55 Cb 0.48 -0.07 -0.03 0.00 2.52 0.00 0.00 27.41 30.31 2jxx h HIS 55 CO 0.03 0.54 -0.32 -0.92 0.71 0.00 0.00 177.93 177.97 2jxx h TYR 56 N -0.05 -0.87 -0.69 5.26 3.20 -1.23 -1.31 116.97 121.27 2jxx h TYR 56 Ca 0.03 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 2jxx h TYR 56 Cb 0.45 0.35 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 2jxx h TYR 56 CO 0.05 -0.45 0.30 1.05 -1.64 0.00 0.00 178.16 177.48 2jxx h GLU 57 N -0.62 1.00 -0.13 1.82 4.11 -1.52 -0.33 114.58 118.91 2jxx h GLU 57 Ca 0.00 -0.15 -0.02 0.00 0.07 0.00 0.00 59.36 59.25 2jxx h GLU 57 Cb 0.60 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2jxx h GLU 57 CO -0.12 0.80 -0.01 0.93 0.07 0.00 0.00 179.01 180.68 2jxx h GLU 58 N 0.99 0.24 -0.11 1.06 5.08 -1.37 0.47 114.58 120.94 2jxx h GLU 58 Ca 0.24 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2jxx h GLU 58 Cb 0.15 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2jxx h GLU 58 CO -0.03 0.51 0.02 0.00 -1.00 0.00 0.00 179.01 178.51 2jxx h ALA 59 N 0.73 0.14 -0.05 3.43 0.00 -1.00 -3.21 119.26 119.30 2jxx h ALA 59 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jxx h ALA 59 Cb 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2jxx h ALA 59 CO 0.01 -0.22 0.00 -0.12 0.00 0.00 0.00 179.25 178.92 2jxx n MET 60 N -4.86 1.26 -2.13 0.00 0.00 -0.15 -4.85 117.12 106.39 2jxx n MET 60 Ca -0.06 -0.24 -0.16 0.00 0.00 0.00 0.00 57.70 57.24 2jxx n MET 60 Cb 0.16 -1.42 -0.03 0.00 0.00 0.00 0.00 33.22 31.93 2jxx n MET 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2jxx n GLY 61 N 0.19 0.15 1.02 -5.12 0.00 -1.21 -4.89 105.19 95.33 2jxx n GLY 61 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.04 2jxx n GLY 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jxx n LEU 62 N -2.65 2.80 -4.56 0.99 7.99 0.15 -4.81 117.00 116.91 2jxx n LEU 62 Ca -0.19 -1.43 -0.31 0.00 -0.01 0.00 0.00 56.01 54.08 2jxx n LEU 62 Cb 0.62 -0.57 -0.05 0.00 -0.11 0.00 0.00 43.42 43.31 2jxx n LEU 62 CO 0.24 0.43 1.44 -0.94 -1.51 0.00 0.00 177.39 177.05 2jxx s SER 63 N -0.09 5.49 0.00 -1.43 1.04 -1.21 -3.35 113.70 114.15 2jxx s SER 63 Ca 0.16 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.47 2jxx s SER 63 Cb 0.13 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.68 2jxx s SER 63 CO 0.04 -2.47 0.00 0.61 0.98 0.00 0.00 173.24 172.40 2jxx n GLY 64 N 6.57 -0.31 2.98 7.32 0.00 -1.26 -5.13 105.19 115.36 2jxx n GLY 64 Ca 0.40 -0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.22 2jxx n GLY 64 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jxx s ARG 65 N 0.00 0.94 0.15 1.61 3.52 -1.21 -5.14 118.95 118.81 2jxx s ARG 65 Ca 0.00 -0.27 -0.26 0.00 -0.13 0.00 0.00 55.73 55.07 2jxx s ARG 65 Cb 0.00 -0.88 -0.07 0.00 -1.56 0.00 0.00 34.95 32.43 2jxx s ARG 65 CO 0.00 0.07 0.80 0.21 -0.81 0.00 0.00 175.30 175.57 2jxx s LYS 66 N 0.33 4.59 0.23 5.12 2.20 -1.26 -4.95 119.74 126.00 2jxx s LYS 66 Ca -0.05 1.19 0.10 0.00 -0.36 0.00 0.00 55.97 56.85 2jxx s LYS 66 Cb -0.10 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 2jxx s LYS 66 CO 0.01 0.49 -0.14 -0.48 -0.36 0.00 0.00 175.35 174.87 2jxx s LEU 67 N -0.89 2.78 0.52 5.43 -0.00 -1.26 -5.04 118.68 120.23 2jxx s LEU 67 Ca 0.37 -0.78 0.08 0.00 -0.00 0.00 0.00 54.13 53.80 2jxx s LEU 67 Cb -0.23 -1.40 0.06 0.00 -0.00 0.00 0.00 46.19 44.62 2jxx s LEU 67 CO 0.26 0.07 0.72 -0.44 -0.00 0.00 0.00 176.35 176.96 2jxx s SER 68 N -3.14 5.28 -0.02 1.48 0.01 -0.06 -4.98 113.70 112.26 2jxx s SER 68 Ca 0.27 -0.64 -0.02 0.00 1.31 0.00 0.00 55.95 56.87 2jxx s SER 68 Cb -0.07 -0.11 0.01 0.00 0.21 0.00 0.00 66.02 66.06 2jxx s SER 68 CO 0.15 -1.15 0.06 -0.36 0.41 0.00 0.00 173.24 172.35 2jxx s PHE 69 N -2.58 -0.06 0.03 2.43 0.40 -1.26 -1.06 117.98 115.88 2jxx s PHE 69 Ca 0.59 0.16 0.08 0.00 -0.60 0.00 0.00 56.93 57.16 2jxx s PHE 69 Cb -0.07 0.00 -0.02 0.00 0.51 0.00 0.00 43.02 43.43 2jxx s PHE 69 CO 0.37 -0.04 -0.22 -0.06 0.70 0.00 0.00 175.22 175.97 2jxx s PHE 70 N 0.13 1.96 -0.26 0.36 0.08 -0.49 -1.65 117.98 118.12 2jxx s PHE 70 Ca -0.01 -0.38 -0.00 0.00 0.12 0.00 0.00 56.93 56.66 2jxx s PHE 70 Cb -0.02 -1.19 0.08 0.00 -0.57 0.00 0.00 43.02 41.32 2jxx s PHE 70 CO -0.00 0.07 0.03 0.12 -0.10 0.00 0.00 175.22 175.33 2jxx s PHE 71 N -0.72 1.92 -1.82 0.36 5.36 -0.59 -0.01 117.98 122.48 2jxx s PHE 71 Ca 0.09 -1.60 0.00 0.00 -0.96 0.00 0.00 56.93 54.45 2jxx s PHE 71 Cb -0.09 -1.58 0.00 0.00 -0.34 0.00 0.00 43.02 41.01 2jxx s PHE 71 CO 0.01 -0.78 0.00 -3.47 -1.46 0.00 0.00 175.22 169.53 2jxx n ASP 72 N 4.80 -5.59 0.00 6.13 2.03 -1.26 -1.62 116.55 121.03 2jxx n ASP 72 Ca -0.07 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.38 2jxx n ASP 72 Cb 0.44 -4.69 0.00 0.00 -0.72 0.00 0.00 41.12 36.15 2jxx n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jxx n GLY 73 N -0.87 1.99 3.70 0.27 0.00 -1.26 -5.04 105.19 103.97 2jxx n GLY 73 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2jxx n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jxx s THR 74 N -2.34 3.38 -0.25 2.61 2.01 -0.64 -4.91 115.64 115.50 2jxx s THR 74 Ca 0.00 0.87 -0.29 0.00 0.31 0.00 0.00 61.69 62.58 2jxx s THR 74 Cb 0.00 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 2jxx s THR 74 CO 0.00 0.02 1.69 -0.75 -0.69 0.00 0.00 174.62 174.89 2jxx s LYS 75 N 2.05 3.64 -0.42 4.92 2.47 -1.26 -1.54 119.74 129.59 2jxx s LYS 75 Ca 0.67 1.60 -0.23 0.00 -1.56 0.00 0.00 55.97 56.45 2jxx s LYS 75 Cb -0.35 -4.10 0.02 0.00 -1.46 0.00 0.00 37.83 31.94 2jxx s LYS 75 CO 0.29 -1.49 0.78 -0.51 0.16 0.00 0.00 175.35 174.59 2jxx s LEU 76 N 5.78 4.21 0.36 5.43 1.43 -0.66 -4.93 118.68 130.30 2jxx s LEU 76 Ca 0.75 0.03 0.24 0.00 -1.03 0.00 0.00 54.13 54.12 2jxx s LEU 76 Cb -0.24 -2.98 0.46 0.00 0.03 0.00 0.00 46.19 43.45 2jxx s LEU 76 CO 0.31 -0.86 1.63 -1.28 0.23 0.00 0.00 176.35 176.38 2jxx h SER 77 N 8.83 0.00 0.00 2.29 0.87 -1.93 -3.39 113.55 120.22 2jxx h SER 77 Ca -0.25 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2jxx h SER 77 Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2jxx h SER 77 CO 0.94 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.86 2jxx n GLY 78 N 1.17 2.92 0.10 5.77 0.00 -1.26 -4.93 105.19 108.95 2jxx n GLY 78 Ca 0.04 -1.08 0.13 0.00 0.00 0.00 0.00 46.02 45.11 2jxx n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jxx n ARG 79 N 0.00 1.13 -2.83 1.61 1.74 -1.26 -1.58 116.66 115.46 2jxx n ARG 79 Ca 0.00 -0.19 -0.34 0.00 -0.77 0.00 0.00 57.85 56.55 2jxx n ARG 79 Cb 0.00 -1.43 -0.07 0.00 -1.02 0.00 0.00 32.46 29.95 2jxx n ARG 79 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2jxx s GLU 80 N -1.99 4.30 0.13 5.56 8.01 -1.26 -4.91 118.70 128.54 2jxx s GLU 80 Ca 0.40 1.14 0.02 0.00 0.01 0.00 0.00 54.97 56.54 2jxx s GLU 80 Cb 0.19 -2.34 -0.04 0.00 -4.31 0.00 0.00 34.13 27.63 2jxx s GLU 80 CO 0.31 0.05 0.22 -0.51 0.01 0.00 0.00 175.26 175.34 2jxx s LEU 81 N -2.90 4.19 0.55 1.80 1.43 -1.26 -1.02 118.68 121.45 2jxx s LEU 81 Ca 0.59 0.12 0.32 0.00 -1.03 0.00 0.00 54.13 54.12 2jxx s LEU 81 Cb -0.11 -2.78 1.52 0.00 0.03 0.00 0.00 46.19 44.85 2jxx s LEU 81 CO 0.16 0.09 2.06 1.55 0.23 0.00 0.00 176.35 180.44 2jxx h PRO 82 N 2.51 0.00 -0.73 1.29 0.13 -1.75 -0.79 132.00 132.66 2jxx h PRO 82 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 2jxx h PRO 82 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2jxx h PRO 82 CO 0.69 0.07 0.38 0.00 -0.23 0.00 0.00 178.00 178.92 2jxx h ALA 83 N 1.93 0.94 -0.12 -0.56 0.00 -1.84 0.10 119.26 119.71 2jxx h ALA 83 Ca -0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2jxx h ALA 83 Cb 0.40 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2jxx h ALA 83 CO 0.01 0.47 -0.28 0.22 0.00 0.00 0.00 179.25 179.67 2jxx h ASP 84 N 1.01 0.44 0.89 0.00 3.58 -1.49 -3.16 116.42 117.69 2jxx h ASP 84 Ca 0.25 -0.58 0.00 0.00 0.42 0.00 0.00 57.03 57.13 2jxx h ASP 84 Cb 0.06 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.99 2jxx h ASP 84 CO -0.04 0.94 0.00 0.18 -2.88 0.00 0.00 179.24 177.44 2jxx n LEU 85 N -4.44 0.20 -0.29 2.28 4.77 -0.63 -4.91 117.00 113.97 2jxx n LEU 85 Ca -0.07 0.53 -0.03 0.00 -0.03 0.00 0.00 56.01 56.41 2jxx n LEU 85 Cb 0.46 -0.48 -0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2jxx n LEU 85 CO 0.42 -0.17 -0.03 0.61 -1.33 0.00 0.00 177.39 176.89 2jxx n GLY 86 N 0.84 0.36 3.79 -0.72 0.00 -0.75 -5.04 105.19 103.67 2jxx n GLY 86 Ca 0.05 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 2jxx n GLY 86 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jxx s MET 87 N -3.54 2.33 0.11 1.61 -1.94 0.28 -5.03 119.30 113.12 2jxx s MET 87 Ca 0.00 0.91 -0.11 0.00 -1.71 0.00 0.00 55.69 54.78 2jxx s MET 87 Cb 0.00 -1.92 0.01 0.00 2.01 0.00 0.00 34.83 34.93 2jxx s MET 87 CO 0.00 -1.52 0.27 -2.00 -0.01 0.00 0.00 175.02 171.76 2jxx s GLU 88 N -5.02 0.95 -0.18 2.03 2.12 -1.26 -4.75 118.70 112.59 2jxx s GLU 88 Ca 0.60 -0.89 -0.28 0.00 0.36 0.00 0.00 54.97 54.75 2jxx s GLU 88 Cb -0.15 0.39 -0.06 0.00 0.26 0.00 0.00 34.13 34.57 2jxx s GLU 88 CO 0.55 -0.33 2.18 0.45 -0.54 0.00 0.00 175.26 177.57 2jxx s SER 89 N -2.85 5.61 0.00 -1.70 0.15 -1.26 -1.80 113.70 111.85 2jxx s SER 89 Ca 0.05 2.02 0.00 0.00 0.70 0.00 0.00 55.95 58.73 2jxx s SER 89 Cb 0.04 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2jxx s SER 89 CO -0.10 -1.82 0.00 0.61 1.20 0.00 0.00 173.24 173.13 2jxx n GLY 90 N 5.56 1.05 3.27 9.45 0.00 -0.30 -4.88 105.19 119.34 2jxx n GLY 90 Ca 0.28 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 2jxx n GLY 90 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jxx n ASP 91 N 0.00 -2.44 -3.78 1.61 9.92 -0.75 -4.68 116.55 116.44 2jxx n ASP 91 Ca 0.00 -0.19 -0.28 0.00 -0.53 0.00 0.00 54.79 53.79 2jxx n ASP 91 Cb 0.00 -0.96 -0.16 0.00 -0.64 0.00 0.00 41.12 39.35 2jxx n ASP 91 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2jxx s LEU 92 N -1.98 1.52 0.18 0.64 2.96 -1.26 -1.53 118.68 119.21 2jxx s LEU 92 Ca 0.56 -0.93 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2jxx s LEU 92 Cb -0.12 -0.73 -0.05 0.00 0.50 0.00 0.00 46.19 45.79 2jxx s LEU 92 CO 0.63 -0.30 0.38 -0.63 -1.32 0.00 0.00 176.35 175.12 2jxx s ILE 93 N 1.75 5.20 0.27 6.68 1.01 0.05 -4.60 121.20 131.56 2jxx s ILE 93 Ca -0.02 -0.22 0.08 0.00 0.00 0.00 0.00 60.65 60.49 2jxx s ILE 93 Cb -0.17 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 2jxx s ILE 93 CO -0.08 -0.09 -0.10 -1.61 0.00 0.00 0.00 174.94 173.05 2jxx s GLU 94 N -3.07 1.55 -0.15 2.79 2.02 0.99 -1.07 118.70 121.77 2jxx s GLU 94 Ca 0.39 -1.76 -0.04 0.00 0.02 0.00 0.00 54.97 53.58 2jxx s GLU 94 Cb -0.11 -1.31 0.06 0.00 0.10 0.00 0.00 34.13 32.87 2jxx s GLU 94 CO 0.28 0.13 0.14 0.08 0.02 0.00 0.00 175.26 175.90 2jxx s VAL 95 N -2.88 -0.19 -0.04 2.63 1.01 0.03 -1.39 120.40 119.57 2jxx s VAL 95 Ca 0.28 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 2jxx s VAL 95 Cb 0.01 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 2jxx s VAL 95 CO 0.12 -0.13 0.08 -1.66 0.00 0.00 0.00 175.10 173.51 2jxx s TRP 96 N 2.23 3.34 0.00 5.22 1.48 -0.22 -0.88 118.94 130.11 2jxx s TRP 96 Ca 0.04 0.28 0.00 0.00 -1.06 0.00 0.00 56.10 55.36 2jxx s TRP 96 Cb -0.15 -1.79 0.00 0.00 -1.16 0.00 0.00 33.47 30.37 2jxx s TRP 96 CO -0.09 0.58 0.00 0.41 -4.06 0.00 0.00 176.95 173.79