#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 -1.15 -1.61 -2.82 0.28 -1.26 -4.94 120.64 109.15 2jxx n GLU 21 Ca 0.00 -1.22 -0.37 0.00 -0.16 0.00 0.00 57.16 55.41 2jxx n GLU 21 Cb 0.00 -0.88 -0.03 0.00 1.43 0.00 0.00 31.44 31.96 2jxx n GLU 21 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 2jxx s THR 22 N -2.65 3.04 -0.69 3.84 -4.23 -1.26 -4.90 115.64 108.79 2jxx s THR 22 Ca 0.46 0.03 -0.27 0.00 -1.18 0.00 0.00 61.69 60.73 2jxx s THR 22 Cb -0.02 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.73 2jxx s THR 22 CO 0.33 -0.08 1.60 -0.44 -0.54 0.00 0.00 174.62 175.48 2jxx s SER 23 N 11.20 5.69 0.41 3.99 0.01 -1.26 -4.83 113.70 128.90 2jxx s SER 23 Ca 0.96 -0.08 0.17 0.00 1.31 0.00 0.00 55.95 58.31 2jxx s SER 23 Cb -0.19 -2.54 0.89 0.00 0.21 0.00 0.00 66.02 64.39 2jxx s SER 23 CO 0.27 -2.13 1.87 0.06 0.41 0.00 0.00 173.24 173.72 2jxx h GLN 24 N 12.58 0.00 -5.72 12.44 -0.00 -1.98 -3.43 115.11 129.00 2jxx h GLN 24 Ca -0.25 0.00 -0.53 0.00 -0.00 0.00 0.00 58.65 57.87 2jxx h GLN 24 Cb 1.11 0.00 -0.27 0.00 -0.00 0.00 0.00 27.48 28.31 2jxx h GLN 24 CO 1.25 0.31 -0.83 -0.65 -0.00 0.00 0.00 178.83 178.91 2jxx s GLN 25 N -4.09 1.29 -0.17 0.06 -0.21 -1.26 -1.86 119.66 113.42 2jxx s GLN 25 Ca -0.02 -0.76 -0.05 0.00 0.02 0.00 0.00 55.36 54.55 2jxx s GLN 25 Cb 0.13 -1.31 -0.03 0.00 1.00 0.00 0.00 33.01 32.80 2jxx s GLN 25 CO 0.68 0.34 -0.01 -0.51 -2.12 0.00 0.00 175.29 173.68 2jxx s LEU 26 N -0.84 3.37 -0.62 2.90 1.43 0.21 -4.92 118.68 120.20 2jxx s LEU 26 Ca 0.06 -0.09 -0.25 0.00 -1.03 0.00 0.00 54.13 52.81 2jxx s LEU 26 Cb -0.08 -1.83 0.04 0.00 0.03 0.00 0.00 46.19 44.36 2jxx s LEU 26 CO 0.01 0.16 1.07 -1.10 0.23 0.00 0.00 176.35 176.71 2jxx s GLN 27 N 0.44 3.28 -0.12 1.70 -1.52 -1.26 -1.44 119.66 120.73 2jxx s GLN 27 Ca -0.02 -0.31 -0.01 0.00 -1.95 0.00 0.00 55.36 53.08 2jxx s GLN 27 Cb -0.14 -4.12 -0.02 0.00 -0.22 0.00 0.00 33.01 28.51 2jxx s GLN 27 CO 0.02 -1.75 -0.10 -0.51 -0.25 0.00 0.00 175.29 172.70 2jxx s LEU 28 N 4.55 2.92 -0.43 2.90 1.43 -0.49 -0.76 118.68 128.80 2jxx s LEU 28 Ca 0.32 -0.22 -0.21 0.00 -1.03 0.00 0.00 54.13 52.99 2jxx s LEU 28 Cb -0.12 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.46 2jxx s LEU 28 CO 0.17 0.21 0.66 -0.13 0.23 0.00 0.00 176.35 177.50 2jxx s ARG 29 N 0.07 3.35 -0.21 1.70 0.52 -0.65 -2.01 118.95 121.72 2jxx s ARG 29 Ca -0.03 -0.28 -0.07 0.00 -0.52 0.00 0.00 55.73 54.83 2jxx s ARG 29 Cb -0.14 -3.93 -0.03 0.00 0.52 0.00 0.00 34.95 31.36 2jxx s ARG 29 CO 0.04 -0.99 0.05 0.08 0.02 0.00 0.00 175.30 174.50 2jxx s VAL 30 N 2.88 4.40 0.02 3.52 1.01 -0.03 -1.11 120.40 131.09 2jxx s VAL 30 Ca 0.24 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.09 2jxx s VAL 30 Cb -0.14 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 2jxx s VAL 30 CO 0.19 0.40 -0.07 -1.10 0.00 0.00 0.00 175.10 174.52 2jxx s GLN 31 N 1.03 0.52 0.85 2.72 -0.21 -0.55 -1.01 119.66 123.00 2jxx s GLN 31 Ca 0.03 -0.50 -0.11 0.00 0.02 0.00 0.00 55.36 54.81 2jxx s GLN 31 Cb -0.14 -0.40 0.15 0.00 1.00 0.00 0.00 33.01 33.62 2jxx s GLN 31 CO 0.03 0.09 1.19 0.20 -2.12 0.00 0.00 175.29 174.68 2jxx s GLY 32 N -0.89 1.74 0.58 3.09 0.00 -0.60 -0.54 107.32 110.71 2jxx s GLY 32 Ca -0.04 -1.23 0.36 0.00 0.00 0.00 0.00 44.72 43.81 2jxx s GLY 32 CO 0.00 -0.59 1.52 0.07 0.00 0.00 0.00 173.10 174.10 2jxx h LYS 33 N -1.18 0.00 -5.06 2.90 2.10 -1.42 -3.31 116.57 110.61 2jxx h LYS 33 Ca -0.43 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 57.59 2jxx h LYS 33 Cb 1.26 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 32.40 2jxx h LYS 33 CO 0.44 0.00 -0.58 -1.83 -2.00 0.00 0.00 179.45 175.48 2jxx s GLU 34 N -4.65 3.82 0.06 0.07 1.03 -1.26 -5.00 118.70 112.76 2jxx s GLU 34 Ca -0.04 -0.40 0.19 0.00 0.03 0.00 0.00 54.97 54.74 2jxx s GLU 34 Cb 0.19 -3.34 0.78 0.00 -0.80 0.00 0.00 34.13 30.96 2jxx s GLU 34 CO 0.65 -0.02 1.59 0.36 -1.33 0.00 0.00 175.26 176.51 2jxx n LYS 35 N 4.45 0.05 -0.28 -4.83 2.85 -1.25 -1.94 118.16 117.21 2jxx n LYS 35 Ca -0.16 0.25 -0.06 0.00 -1.05 0.00 0.00 58.31 57.29 2jxx n LYS 35 Cb 0.52 -1.58 0.06 0.00 -0.65 0.00 0.00 35.03 33.38 2jxx n LYS 35 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2jxx h HIS 36 N 0.00 1.11 -0.98 5.58 2.76 -1.94 -3.36 115.15 118.32 2jxx h HIS 36 Ca 0.00 -0.06 -0.46 0.00 -2.20 0.00 0.00 60.37 57.65 2jxx h HIS 36 Cb 0.32 -0.34 -0.08 0.00 1.55 0.00 0.00 27.41 28.87 2jxx h HIS 36 CO 0.00 0.82 1.14 -1.14 -1.30 0.00 0.00 177.93 177.45 2jxx s GLN 37 N -5.68 3.10 -0.01 5.26 0.74 -0.82 -4.96 119.66 117.29 2jxx s GLN 37 Ca -0.13 -0.69 0.07 0.00 0.05 0.00 0.00 55.36 54.67 2jxx s GLN 37 Cb 0.15 -5.18 -0.02 0.00 1.10 0.00 0.00 33.01 29.06 2jxx s GLN 37 CO 0.82 -2.75 -0.24 0.99 -0.55 0.00 0.00 175.29 173.57 2jxx s THR 38 N 7.38 1.88 -0.03 -0.34 2.01 -1.26 -1.56 115.64 123.72 2jxx s THR 38 Ca 0.57 -1.06 -0.00 0.00 0.31 0.00 0.00 61.69 61.51 2jxx s THR 38 Cb -0.03 -1.57 0.03 0.00 0.01 0.00 0.00 72.50 70.93 2jxx s THR 38 CO -0.05 0.50 0.02 -0.22 -0.69 0.00 0.00 174.62 174.17 2jxx s LEU 39 N -0.65 0.93 -0.35 4.42 2.96 -0.18 -5.02 118.68 120.79 2jxx s LEU 39 Ca 0.09 -0.00 -0.11 0.00 -0.22 0.00 0.00 54.13 53.89 2jxx s LEU 39 Cb -0.09 -0.20 0.01 0.00 0.50 0.00 0.00 46.19 46.40 2jxx s LEU 39 CO -0.00 -0.14 0.20 -0.70 -1.32 0.00 0.00 176.35 174.39 2jxx s GLU 40 N 1.30 3.14 0.14 1.98 2.12 -1.26 -0.85 118.70 125.27 2jxx s GLU 40 Ca -0.06 -0.87 0.11 0.00 0.36 0.00 0.00 54.97 54.51 2jxx s GLU 40 Cb -0.13 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.51 2jxx s GLU 40 CO -0.02 -0.56 -0.25 0.54 -0.54 0.00 0.00 175.26 174.43 2jxx s VAL 41 N 1.62 2.18 -0.45 3.70 0.11 -0.85 -4.98 120.40 121.73 2jxx s VAL 41 Ca 0.04 -1.80 -0.20 0.00 -2.93 0.00 0.00 61.98 57.09 2jxx s VAL 41 Cb -0.18 -1.96 0.03 0.00 -1.53 0.00 0.00 36.38 32.74 2jxx s VAL 41 CO 0.07 0.00 0.63 -0.44 -3.33 0.00 0.00 175.10 172.04 2jxx s SER 42 N -2.20 6.30 -0.21 3.54 0.01 -1.26 -1.39 113.70 118.48 2jxx s SER 42 Ca 0.14 -0.46 -0.07 0.00 1.31 0.00 0.00 55.95 56.88 2jxx s SER 42 Cb -0.09 -2.31 -0.03 0.00 0.21 0.00 0.00 66.02 63.79 2jxx s SER 42 CO 0.07 -0.79 0.05 -0.22 0.41 0.00 0.00 173.24 172.75 2jxx s LEU 43 N 2.76 3.54 0.38 2.44 2.96 -0.52 -4.91 118.68 125.32 2jxx s LEU 43 Ca 0.21 -0.09 -0.25 0.00 -0.22 0.00 0.00 54.13 53.78 2jxx s LEU 43 Cb -0.15 -1.91 -0.09 0.00 0.50 0.00 0.00 46.19 44.54 2jxx s LEU 43 CO 0.17 0.08 1.10 -0.44 -1.32 0.00 0.00 176.35 175.95 2jxx s SER 44 N 0.92 6.73 0.53 3.68 0.01 -1.26 -0.62 113.70 123.69 2jxx s SER 44 Ca 0.03 2.20 0.24 0.00 1.31 0.00 0.00 55.95 59.73 2jxx s SER 44 Cb -0.14 -2.60 1.47 0.00 0.21 0.00 0.00 66.02 64.95 2jxx s SER 44 CO 0.02 -0.52 2.12 0.08 0.41 0.00 0.00 173.24 175.36 2jxx h ARG 45 N 2.75 0.00 0.00 12.44 0.11 -1.67 -1.90 114.38 126.10 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 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 2jxx h ARG 45 CO 0.63 0.08 -1.14 -0.25 0.10 0.00 0.00 179.97 179.39 2jxx n ASP 46 N -3.93 0.82 -4.80 0.08 8.00 -1.26 -3.86 116.55 111.60 2jxx n ASP 46 Ca -0.02 -0.80 -0.38 0.00 0.71 0.00 0.00 54.79 54.30 2jxx n ASP 46 Cb 0.17 1.13 -0.06 0.00 -0.02 0.00 0.00 41.12 42.34 2jxx n ASP 46 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2jxx s SER 47 N -3.26 6.80 0.79 -2.24 0.01 -0.72 -5.00 113.70 110.08 2jxx s SER 47 Ca 0.05 0.95 -0.11 0.00 1.31 0.00 0.00 55.95 58.16 2jxx s SER 47 Cb 0.16 -2.28 0.06 0.00 0.21 0.00 0.00 66.02 64.18 2jxx s SER 47 CO 0.87 0.22 1.09 -2.84 0.41 0.00 0.00 173.24 172.98 2jxx s PRO 48 N -0.54 2.14 0.50 12.44 0.02 -1.26 -4.28 135.00 144.02 2jxx s PRO 48 Ca 0.25 0.99 0.23 0.00 0.02 0.00 0.00 61.00 62.49 2jxx s PRO 48 Cb -0.17 -1.90 1.30 0.00 0.02 0.00 0.00 34.50 33.76 2jxx s PRO 48 CO 0.13 -1.67 1.95 -0.07 -0.33 0.00 0.00 177.00 177.01 2jxx h LEU 49 N -1.14 0.13 -1.63 -5.54 -0.00 -0.37 -2.47 115.31 104.29 2jxx h LEU 49 Ca -0.45 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.42 2jxx h LEU 49 Cb 1.24 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.87 2jxx h LEU 49 CO 0.54 0.06 0.11 0.07 -0.00 0.00 0.00 178.44 179.22 2jxx h LYS 50 N 0.13 0.35 -0.12 1.13 5.09 -1.52 0.91 116.57 122.55 2jxx h LYS 50 Ca 0.32 -0.04 -0.13 0.00 0.09 0.00 0.00 60.65 60.90 2jxx h LYS 50 Cb 1.10 -0.07 -0.01 0.00 0.10 0.00 0.00 32.23 33.34 2jxx h LYS 50 CO -0.04 0.29 -0.48 0.00 -2.09 0.00 0.00 179.45 177.12 2jxx h THR 51 N 0.35 1.34 -0.41 0.07 1.03 -1.74 -1.02 112.91 112.52 2jxx h THR 51 Ca 0.09 -1.70 -0.14 0.00 -0.01 0.00 0.00 66.41 64.65 2jxx h THR 51 Cb 0.07 1.78 -0.01 0.00 -1.07 0.00 0.00 68.15 68.91 2jxx h THR 51 CO -0.01 0.51 -0.31 0.25 -0.01 0.00 0.00 175.52 175.95 2jxx h LEU 52 N 0.24 0.96 -0.75 0.00 6.46 -1.41 -0.67 115.31 120.15 2jxx h LEU 52 Ca 0.01 -0.40 0.02 0.00 -0.12 0.00 0.00 57.88 57.40 2jxx h LEU 52 Cb 0.94 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.56 2jxx h LEU 52 CO 0.08 1.18 0.48 0.24 -0.62 0.00 0.00 178.44 179.80 2jxx h MET 53 N 0.77 0.92 -0.49 1.25 2.86 -0.71 -1.19 114.93 118.34 2jxx h MET 53 Ca 0.08 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.54 2jxx h MET 53 Cb 0.88 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 2jxx h MET 53 CO 0.08 0.61 -0.19 1.03 1.06 0.00 0.00 176.91 179.50 2jxx h SER 54 N 0.95 1.01 -0.11 1.22 0.87 -1.07 -2.94 113.55 113.48 2jxx h SER 54 Ca 0.29 -0.39 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 2jxx h SER 54 Cb -0.02 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.66 2jxx h SER 54 CO -0.10 1.17 -0.01 -0.74 -0.53 0.00 0.00 176.83 176.63 2jxx h HIS 55 N 0.84 0.21 0.03 2.24 6.17 -0.64 -1.60 115.15 122.40 2jxx h HIS 55 Ca 0.11 -0.04 0.03 0.00 0.71 0.00 0.00 60.37 61.18 2jxx h HIS 55 Cb 0.77 -0.05 -0.04 0.00 2.52 0.00 0.00 27.41 30.61 2jxx h HIS 55 CO 0.05 0.46 -0.22 -0.92 0.71 0.00 0.00 177.93 178.02 2jxx h TYR 56 N -0.10 -0.58 -0.26 5.26 3.20 -1.31 -1.66 116.97 121.53 2jxx h TYR 56 Ca 0.03 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 2jxx h TYR 56 Cb 0.38 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 2jxx h TYR 56 CO 0.04 -0.31 0.09 1.05 -1.64 0.00 0.00 178.16 177.39 2jxx h GLU 57 N -0.36 0.40 -0.52 1.82 4.11 -1.52 -3.08 114.58 115.42 2jxx h GLU 57 Ca 0.05 -0.08 0.04 0.00 0.07 0.00 0.00 59.36 59.44 2jxx h GLU 57 Cb 0.43 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 2jxx h GLU 57 CO -0.18 0.46 0.27 0.93 0.07 0.00 0.00 179.01 180.56 2jxx h GLU 58 N 0.26 0.52 -0.41 1.06 4.39 -1.21 0.19 114.58 119.37 2jxx h GLU 58 Ca 0.08 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.79 2jxx h GLU 58 Cb 0.22 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 2jxx h GLU 58 CO -0.00 0.34 0.19 0.00 -1.16 0.00 0.00 179.01 178.38 2jxx h ALA 59 N 1.27 0.51 -0.91 3.43 0.00 -1.28 -2.97 119.26 119.31 2jxx h ALA 59 Ca 0.23 0.03 -0.53 0.00 0.00 0.00 0.00 54.91 54.63 2jxx h ALA 59 Cb 0.12 -0.04 -0.29 0.00 0.00 0.00 0.00 17.79 17.59 2jxx h ALA 59 CO -0.15 -0.18 0.58 -1.33 0.00 0.00 0.00 179.25 178.17 2jxx n MET 60 N -4.94 2.39 -3.37 0.00 2.81 -1.15 -4.94 117.12 107.92 2jxx n MET 60 Ca 0.02 -3.17 -0.23 0.00 -1.81 0.00 0.00 57.70 52.52 2jxx n MET 60 Cb 0.12 -2.18 -0.01 0.00 -0.71 0.00 0.00 33.22 30.44 2jxx n MET 60 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jxx n GLY 61 N -1.06 -0.48 2.21 3.03 0.00 -1.07 -4.88 105.19 102.94 2jxx n GLY 61 Ca 0.57 0.08 -0.26 0.00 0.00 0.00 0.00 46.02 46.41 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 -3.65 7.01 -4.61 0.99 7.99 0.64 -5.00 117.00 120.37 2jxx n LEU 62 Ca -0.01 -3.88 -0.43 0.00 -0.01 0.00 0.00 56.01 51.69 2jxx n LEU 62 Cb 0.53 -1.05 -0.03 0.00 -0.11 0.00 0.00 43.42 42.77 2jxx n LEU 62 CO 0.51 1.42 1.50 -0.44 -1.51 0.00 0.00 177.39 178.86 2jxx s SER 63 N -0.63 6.08 0.00 -1.43 0.01 -1.25 -1.28 113.70 115.20 2jxx s SER 63 Ca 0.48 1.54 0.00 0.00 1.31 0.00 0.00 55.95 59.28 2jxx s SER 63 Cb 0.37 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 64.08 2jxx s SER 63 CO -0.07 -1.52 0.00 0.61 0.41 0.00 0.00 173.24 172.68 2jxx n GLY 64 N 5.11 0.45 2.35 3.44 0.00 -1.26 -5.00 105.19 110.28 2jxx n GLY 64 Ca 0.22 -0.93 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 2jxx n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jxx n ARG 65 N -2.91 0.29 -2.74 1.61 5.12 -0.40 -5.13 116.66 112.51 2jxx n ARG 65 Ca 0.00 -3.19 -0.41 0.00 -1.93 0.00 0.00 57.85 52.33 2jxx n ARG 65 Cb 0.00 -1.58 -0.05 0.00 -1.16 0.00 0.00 32.46 29.67 2jxx n ARG 65 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2jxx s LYS 66 N -0.19 4.73 0.28 5.56 2.20 -1.26 -4.81 119.74 126.24 2jxx s LYS 66 Ca 0.33 1.45 0.04 0.00 -0.36 0.00 0.00 55.97 57.43 2jxx s LYS 66 Cb 0.07 -3.36 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 2jxx s LYS 66 CO -0.18 0.27 0.43 -0.48 -0.36 0.00 0.00 175.35 175.03 2jxx s LEU 67 N -0.22 4.20 0.35 5.43 -0.00 -1.26 -5.09 118.68 122.09 2jxx s LEU 67 Ca 0.46 0.18 -0.26 0.00 -0.00 0.00 0.00 54.13 54.51 2jxx s LEU 67 Cb -0.24 -3.00 -0.09 0.00 -0.00 0.00 0.00 46.19 42.86 2jxx s LEU 67 CO 0.30 -0.16 1.02 -0.44 -0.00 0.00 0.00 176.35 177.06 2jxx s SER 68 N -4.01 7.06 -0.13 1.48 0.01 -0.64 -4.89 113.70 112.58 2jxx s SER 68 Ca 0.36 1.99 0.03 0.00 1.31 0.00 0.00 55.95 59.65 2jxx s SER 68 Cb -0.09 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.56 2jxx s SER 68 CO 0.31 -0.27 -0.22 -0.36 0.41 0.00 0.00 173.24 173.11 2jxx s PHE 69 N -1.57 2.62 -0.06 2.43 0.40 -1.26 -1.12 117.98 119.42 2jxx s PHE 69 Ca 0.53 -1.28 0.04 0.00 -0.60 0.00 0.00 56.93 55.62 2jxx s PHE 69 Cb -0.22 -1.78 0.00 0.00 0.51 0.00 0.00 43.02 41.53 2jxx s PHE 69 CO 0.28 -0.58 -0.18 -0.06 0.70 0.00 0.00 175.22 175.39 2jxx s PHE 70 N 0.74 1.86 -0.20 0.36 0.40 -0.60 -2.17 117.98 118.37 2jxx s PHE 70 Ca -0.09 -0.62 0.01 0.00 -0.60 0.00 0.00 56.93 55.63 2jxx s PHE 70 Cb -0.16 -1.27 0.04 0.00 0.51 0.00 0.00 43.02 42.15 2jxx s PHE 70 CO -0.00 -0.24 -0.10 0.12 0.70 0.00 0.00 175.22 175.70 2jxx s PHE 71 N 0.23 2.40 -1.72 0.36 5.36 -0.71 -1.19 117.98 122.71 2jxx s PHE 71 Ca -0.09 -1.58 0.00 0.00 -0.96 0.00 0.00 56.93 54.30 2jxx s PHE 71 Cb -0.14 -1.63 0.00 0.00 -0.34 0.00 0.00 43.02 40.91 2jxx s PHE 71 CO 0.04 -0.74 0.00 -3.47 -1.46 0.00 0.00 175.22 169.59 2jxx n ASP 72 N 4.69 -5.39 0.00 6.13 2.03 -1.26 -1.30 116.55 121.44 2jxx n ASP 72 Ca -0.15 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2jxx n ASP 72 Cb 0.46 -4.57 0.00 0.00 -0.72 0.00 0.00 41.12 36.30 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 -0.84 1.77 3.66 0.27 0.00 -1.26 -5.03 105.19 103.75 2jxx n GLY 73 Ca -0.22 0.00 -0.43 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 -2.78 4.15 -0.24 2.61 2.01 -0.42 -4.99 115.64 115.99 2jxx s THR 74 Ca 0.00 1.39 -0.29 0.00 0.31 0.00 0.00 61.69 63.10 2jxx s THR 74 Cb 0.00 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 2jxx s THR 74 CO 0.00 -0.13 1.72 -0.75 -0.69 0.00 0.00 174.62 174.77 2jxx s LYS 75 N 3.62 3.65 -0.31 4.92 2.47 -1.26 -1.74 119.74 131.09 2jxx s LYS 75 Ca 0.58 1.68 -0.27 0.00 -1.56 0.00 0.00 55.97 56.39 2jxx s LYS 75 Cb -0.24 -4.11 0.01 0.00 -1.46 0.00 0.00 37.83 32.04 2jxx s LYS 75 CO 0.17 -1.48 0.99 -0.51 0.16 0.00 0.00 175.35 174.68 2jxx s LEU 76 N 5.81 3.99 0.23 5.43 1.43 -0.92 -4.94 118.68 129.71 2jxx s LEU 76 Ca 0.77 0.95 0.06 0.00 -1.03 0.00 0.00 54.13 54.88 2jxx s LEU 76 Cb -0.26 -3.40 0.21 0.00 0.03 0.00 0.00 46.19 42.77 2jxx s LEU 76 CO 0.32 -0.79 1.53 0.28 0.23 0.00 0.00 176.35 177.91 2jxx h SER 77 N 8.06 0.16 0.00 2.29 0.02 -1.93 -3.44 113.55 118.71 2jxx h SER 77 Ca -0.22 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2jxx h SER 77 Cb 1.07 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2jxx h SER 77 CO 0.98 0.79 0.00 0.61 -1.14 0.00 0.00 176.83 178.08 2jxx n GLY 78 N 0.44 3.79 0.44 -3.77 0.00 -1.26 -4.95 105.19 99.88 2jxx n GLY 78 Ca -0.02 -0.80 0.04 0.00 0.00 0.00 0.00 46.02 45.24 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 1.55 -3.06 1.61 1.74 -1.26 -1.45 116.66 115.79 2jxx n ARG 79 Ca 0.00 -0.86 -0.34 0.00 -0.77 0.00 0.00 57.85 55.88 2jxx n ARG 79 Cb 0.00 -1.20 -0.06 0.00 -1.02 0.00 0.00 32.46 30.18 2jxx n ARG 79 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2jxx s GLU 80 N -1.69 4.17 0.37 5.56 1.03 -1.26 -4.91 118.70 121.97 2jxx s GLU 80 Ca 0.17 0.84 0.02 0.00 0.03 0.00 0.00 54.97 56.03 2jxx s GLU 80 Cb 0.09 -2.60 -0.02 0.00 -0.80 0.00 0.00 34.13 30.80 2jxx s GLU 80 CO 0.12 0.23 0.56 -0.51 -1.33 0.00 0.00 175.26 174.33 2jxx s LEU 81 N -2.56 3.92 0.39 1.83 1.43 -1.26 -0.75 118.68 121.68 2jxx s LEU 81 Ca 0.51 0.29 0.13 0.00 -1.03 0.00 0.00 54.13 54.03 2jxx s LEU 81 Cb -0.13 -3.16 0.79 0.00 0.03 0.00 0.00 46.19 43.71 2jxx s LEU 81 CO 0.19 -0.42 1.87 1.55 0.23 0.00 0.00 176.35 179.77 2jxx h PRO 82 N 0.70 0.03 -0.44 1.29 0.13 -1.75 -1.86 132.00 130.10 2jxx h PRO 82 Ca -0.48 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 2jxx h PRO 82 Cb 1.23 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2jxx h PRO 82 CO 0.59 0.33 0.11 0.00 -0.23 0.00 0.00 178.00 178.81 2jxx h ALA 83 N 1.67 1.38 -0.05 -0.56 0.00 -1.77 0.15 119.26 120.07 2jxx h ALA 83 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2jxx h ALA 83 Cb 0.55 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2jxx h ALA 83 CO 0.04 0.45 -0.04 0.22 0.00 0.00 0.00 179.25 179.92 2jxx h ASP 84 N 0.64 0.12 1.14 0.00 3.58 -1.67 -3.24 116.42 116.99 2jxx h ASP 84 Ca 0.15 -0.47 -0.01 0.00 0.42 0.00 0.00 57.03 57.11 2jxx h ASP 84 Cb 0.23 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.24 2jxx h ASP 84 CO -0.00 0.57 -0.05 -0.07 -2.88 0.00 0.00 179.24 176.81 2jxx h LEU 85 N -0.32 0.00 0.00 2.28 3.38 -1.42 -3.47 115.31 115.75 2jxx h LEU 85 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2jxx h LEU 85 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2jxx h LEU 85 CO 0.01 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.20 2jxx n GLY 86 N 0.21 0.80 3.84 0.83 0.00 -0.90 -5.09 105.19 104.87 2jxx n GLY 86 Ca 0.01 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.68 3.13 0.22 1.61 -1.94 0.46 -5.01 119.30 117.10 2jxx s MET 87 Ca 0.00 0.89 -0.22 0.00 -1.71 0.00 0.00 55.69 54.64 2jxx s MET 87 Cb 0.00 -2.02 0.04 0.00 2.01 0.00 0.00 34.83 34.87 2jxx s MET 87 CO 0.00 -0.94 0.71 -2.00 -0.01 0.00 0.00 175.02 172.78 2jxx s GLU 88 N -5.09 1.55 -0.34 2.03 2.12 -1.26 -4.42 118.70 113.30 2jxx s GLU 88 Ca 0.57 -0.78 -0.27 0.00 0.36 0.00 0.00 54.97 54.85 2jxx s GLU 88 Cb -0.13 0.58 -0.05 0.00 0.26 0.00 0.00 34.13 34.78 2jxx s GLU 88 CO 0.55 -0.70 2.25 -1.12 -0.54 0.00 0.00 175.26 175.69 2jxx s SER 89 N -2.85 5.10 0.00 -1.70 0.01 -1.26 -1.81 113.70 111.19 2jxx s SER 89 Ca 0.08 1.50 0.00 0.00 1.31 0.00 0.00 55.95 58.84 2jxx s SER 89 Cb -0.04 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2jxx s SER 89 CO 0.00 -2.30 0.00 0.61 0.41 0.00 0.00 173.24 171.96 2jxx n GLY 90 N 5.83 2.18 3.27 3.44 0.00 0.06 -4.86 105.19 115.10 2jxx n GLY 90 Ca 0.31 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.43 -3.79 1.61 9.92 -0.75 -4.66 116.55 116.45 2jxx n ASP 91 Ca 0.00 -0.18 -0.28 0.00 -0.53 0.00 0.00 54.79 53.80 2jxx n ASP 91 Cb 0.00 -0.96 -0.16 0.00 -0.64 0.00 0.00 41.12 39.36 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 -1.80 1.61 0.10 0.64 2.96 -1.26 -1.64 118.68 119.28 2jxx s LEU 92 Ca 0.56 -0.97 -0.06 0.00 -0.22 0.00 0.00 54.13 53.44 2jxx s LEU 92 Cb -0.12 -0.76 -0.05 0.00 0.50 0.00 0.00 46.19 45.75 2jxx s LEU 92 CO 0.64 -0.30 0.35 -0.63 -1.32 0.00 0.00 176.35 175.09 2jxx s ILE 93 N 1.72 5.19 0.26 6.68 1.01 -0.27 -4.71 121.20 131.09 2jxx s ILE 93 Ca -0.01 0.11 0.09 0.00 0.00 0.00 0.00 60.65 60.84 2jxx s ILE 93 Cb -0.18 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 2jxx s ILE 93 CO -0.09 0.16 -0.13 -1.61 0.00 0.00 0.00 174.94 173.27 2jxx s GLU 94 N -2.32 1.52 -0.02 2.79 2.02 -0.33 -1.49 118.70 120.87 2jxx s GLU 94 Ca 0.36 -1.72 -0.00 0.00 0.02 0.00 0.00 54.97 53.63 2jxx s GLU 94 Cb -0.13 -1.35 0.03 0.00 0.10 0.00 0.00 34.13 32.79 2jxx s GLU 94 CO 0.22 0.18 0.04 0.08 0.02 0.00 0.00 175.26 175.79 2jxx s VAL 95 N -2.83 -0.07 -0.53 2.63 1.01 0.30 -1.56 120.40 119.34 2jxx s VAL 95 Ca 0.27 0.26 -0.10 0.00 0.00 0.00 0.00 61.98 62.42 2jxx s VAL 95 Cb -0.00 -0.10 0.14 0.00 0.00 0.00 0.00 36.38 36.42 2jxx s VAL 95 CO 0.11 0.11 0.42 0.26 0.00 0.00 0.00 175.10 175.99 2jxx s TRP 96 N 1.30 3.45 0.00 5.22 0.52 -0.27 -0.99 118.94 128.15 2jxx s TRP 96 Ca -0.06 -1.93 0.00 0.00 0.02 0.00 0.00 56.10 54.13 2jxx s TRP 96 Cb -0.13 -3.53 0.00 0.00 -1.15 0.00 0.00 33.47 28.66 2jxx s TRP 96 CO -0.03 -0.98 0.00 0.41 0.02 0.00 0.00 176.95 176.37