#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 0.67 -3.96 -0.78 0.28 -1.26 -4.82 120.64 110.76 2jxx n GLU 21 Ca 0.00 0.11 -0.35 0.00 -0.16 0.00 0.00 57.16 56.76 2jxx n GLU 21 Cb 0.00 -1.53 -0.13 0.00 1.43 0.00 0.00 31.44 31.20 2jxx n GLU 21 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2jxx s THR 22 N -2.52 3.63 -1.42 3.84 -1.32 -1.26 -5.05 115.64 111.54 2jxx s THR 22 Ca -0.27 -0.41 -0.13 0.00 -1.21 0.00 0.00 61.69 59.67 2jxx s THR 22 Cb 0.08 -2.65 0.07 0.00 -1.51 0.00 0.00 72.50 68.48 2jxx s THR 22 CO 0.68 0.42 2.15 -1.20 -2.21 0.00 0.00 174.62 174.45 2jxx n SER 23 N 4.63 4.13 0.13 8.08 7.64 -1.26 -4.39 113.62 132.57 2jxx n SER 23 Ca -0.18 -2.89 -0.22 0.00 1.01 0.00 0.00 58.87 56.59 2jxx n SER 23 Cb 0.51 -1.63 -0.15 0.00 -1.01 0.00 0.00 64.21 61.94 2jxx n SER 23 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2jxx h GLN 24 N 5.98 0.50 -6.11 1.43 4.15 -1.97 -3.47 115.11 115.63 2jxx h GLN 24 Ca 0.53 -0.81 -0.55 0.00 0.77 0.00 0.00 58.65 58.59 2jxx h GLN 24 Cb 0.64 0.30 -0.21 0.00 0.21 0.00 0.00 27.48 28.42 2jxx h GLN 24 CO 1.83 1.38 -0.81 1.14 -1.93 0.00 0.00 178.83 180.44 2jxx s GLN 25 N -2.70 1.18 -0.12 1.69 -2.07 -1.26 -1.80 119.66 114.57 2jxx s GLN 25 Ca -0.08 -1.24 -0.03 0.00 -1.82 0.00 0.00 55.36 52.19 2jxx s GLN 25 Cb 0.05 -1.38 -0.03 0.00 -1.09 0.00 0.00 33.01 30.56 2jxx s GLN 25 CO 0.93 0.31 -0.01 -0.51 -1.32 0.00 0.00 175.29 174.69 2jxx s LEU 26 N -2.15 3.48 -0.68 2.60 1.43 0.34 -4.85 118.68 118.85 2jxx s LEU 26 Ca 0.09 0.03 -0.26 0.00 -1.03 0.00 0.00 54.13 52.97 2jxx s LEU 26 Cb -0.09 -1.82 0.04 0.00 0.03 0.00 0.00 46.19 44.35 2jxx s LEU 26 CO 0.05 0.27 1.14 -1.10 0.23 0.00 0.00 176.35 176.94 2jxx s GLN 27 N -0.24 3.22 -0.19 1.70 -0.21 -1.26 -1.37 119.66 121.30 2jxx s GLN 27 Ca 0.05 -0.36 -0.04 0.00 0.02 0.00 0.00 55.36 55.04 2jxx s GLN 27 Cb -0.12 -4.16 -0.02 0.00 1.00 0.00 0.00 33.01 29.71 2jxx s GLN 27 CO 0.02 -1.92 -0.04 -0.51 -2.12 0.00 0.00 175.29 170.72 2jxx s LEU 28 N 4.96 3.06 0.07 2.90 1.43 -0.36 -0.70 118.68 130.03 2jxx s LEU 28 Ca 0.32 -0.28 -0.21 0.00 -1.03 0.00 0.00 54.13 52.92 2jxx s LEU 28 Cb -0.11 -1.76 -0.06 0.00 0.03 0.00 0.00 46.19 44.28 2jxx s LEU 28 CO 0.15 0.06 0.64 -0.13 0.23 0.00 0.00 176.35 177.30 2jxx s ARG 29 N 1.02 4.33 -0.11 1.70 0.52 -1.26 -1.58 118.95 123.58 2jxx s ARG 29 Ca 0.01 0.85 0.01 0.00 -0.52 0.00 0.00 55.73 56.08 2jxx s ARG 29 Cb -0.15 -3.28 0.02 0.00 0.52 0.00 0.00 34.95 32.06 2jxx s ARG 29 CO 0.01 0.52 -0.13 0.14 0.02 0.00 0.00 175.30 175.85 2jxx s VAL 30 N -0.77 1.35 -0.09 3.52 -7.23 -0.05 -1.13 120.40 116.01 2jxx s VAL 30 Ca 0.32 -0.54 0.03 0.00 -1.81 0.00 0.00 61.98 59.97 2jxx s VAL 30 Cb -0.20 -1.26 0.01 0.00 0.56 0.00 0.00 36.38 35.48 2jxx s VAL 30 CO 0.20 0.41 -0.20 -1.10 -0.31 0.00 0.00 175.10 174.11 2jxx s GLN 31 N 1.13 2.59 0.98 4.82 -0.21 -1.04 -1.50 119.66 126.42 2jxx s GLN 31 Ca -0.04 -0.71 -0.14 0.00 0.02 0.00 0.00 55.36 54.48 2jxx s GLN 31 Cb -0.14 -2.02 0.18 0.00 1.00 0.00 0.00 33.01 32.02 2jxx s GLN 31 CO -0.03 0.09 1.16 0.20 -2.12 0.00 0.00 175.29 174.60 2jxx s GLY 32 N 0.54 1.61 0.30 3.09 0.00 -1.07 -0.49 107.32 111.31 2jxx s GLY 32 Ca -0.15 -0.72 0.17 0.00 0.00 0.00 0.00 44.72 44.02 2jxx s GLY 32 CO 0.05 -0.06 1.27 0.58 0.00 0.00 0.00 173.10 174.94 2jxx n LYS 33 N -3.96 -0.05 -2.61 2.90 2.85 0.13 -2.93 118.16 114.49 2jxx n LYS 33 Ca 0.09 1.10 -0.41 0.00 -1.05 0.00 0.00 58.31 58.04 2jxx n LYS 33 Cb 0.59 -1.99 -0.03 0.00 -0.65 0.00 0.00 35.03 32.95 2jxx n LYS 33 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2jxx s GLU 34 N -5.21 3.21 0.52 -1.58 0.41 -1.26 -4.90 118.70 109.89 2jxx s GLU 34 Ca -0.07 -0.44 0.30 0.00 -0.41 0.00 0.00 54.97 54.35 2jxx s GLU 34 Cb 0.27 -4.29 1.37 0.00 -1.78 0.00 0.00 34.13 29.71 2jxx s GLU 34 CO 0.63 -2.09 2.00 1.57 -0.49 0.00 0.00 175.26 176.88 2jxx h LYS 35 N 9.91 0.00 0.00 1.61 2.10 -1.89 -0.78 116.57 127.51 2jxx h LYS 35 Ca -0.24 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.32 2jxx h LYS 35 Cb 1.05 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.37 2jxx h LYS 35 CO 1.27 0.10 -0.44 1.25 -2.00 0.00 0.00 179.45 179.62 2jxx h HIS 36 N 0.00 0.00 -2.96 0.07 2.76 -1.90 -3.42 115.15 109.70 2jxx h HIS 36 Ca -0.00 0.00 -0.57 0.00 -2.20 0.00 0.00 60.37 57.60 2jxx h HIS 36 Cb 0.48 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.40 2jxx h HIS 36 CO 0.00 0.44 1.11 -1.14 -1.30 0.00 0.00 177.93 177.05 2jxx s GLN 37 N -3.84 3.67 -0.09 5.26 2.00 -0.30 -5.00 119.66 121.36 2jxx s GLN 37 Ca -0.02 1.34 0.01 0.00 -2.00 0.00 0.00 55.36 54.70 2jxx s GLN 37 Cb 0.13 -4.04 0.02 0.00 0.80 0.00 0.00 33.01 29.92 2jxx s GLN 37 CO 0.72 -1.45 -0.12 0.99 -0.50 0.00 0.00 175.29 174.94 2jxx s THR 38 N 5.44 1.20 -0.03 -0.34 2.01 -1.26 -2.59 115.64 120.07 2jxx s THR 38 Ca 0.68 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 62.24 2jxx s THR 38 Cb -0.20 -1.12 -0.00 0.00 0.01 0.00 0.00 72.50 71.18 2jxx s THR 38 CO 0.30 0.38 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.24 2jxx s LEU 39 N 1.01 1.92 -0.09 4.42 1.98 -0.56 -5.03 118.68 122.32 2jxx s LEU 39 Ca -0.08 -0.29 0.02 0.00 -2.89 0.00 0.00 54.13 50.89 2jxx s LEU 39 Cb -0.15 -0.82 0.01 0.00 0.66 0.00 0.00 46.19 45.89 2jxx s LEU 39 CO -0.01 0.15 -0.16 -1.83 -1.89 0.00 0.00 176.35 172.61 2jxx s GLU 40 N -0.05 2.23 0.02 1.98 -1.05 -1.26 -0.87 118.70 119.70 2jxx s GLU 40 Ca -0.01 -0.59 0.03 0.00 -0.15 0.00 0.00 54.97 54.26 2jxx s GLU 40 Cb -0.09 -1.81 -0.01 0.00 -0.44 0.00 0.00 34.13 31.77 2jxx s GLU 40 CO 0.01 0.03 -0.09 0.54 0.95 0.00 0.00 175.26 176.70 2jxx s VAL 41 N 0.70 0.68 -0.48 1.83 0.11 -0.61 -5.00 120.40 117.63 2jxx s VAL 41 Ca -0.13 -0.69 -0.19 0.00 -2.93 0.00 0.00 61.98 58.04 2jxx s VAL 41 Cb -0.16 -0.63 0.04 0.00 -1.53 0.00 0.00 36.38 34.10 2jxx s VAL 41 CO 0.03 -0.04 0.60 -0.44 -3.33 0.00 0.00 175.10 171.92 2jxx s SER 42 N -0.80 6.24 -0.07 3.54 0.01 -1.26 -1.23 113.70 120.13 2jxx s SER 42 Ca -0.01 -0.75 -0.16 0.00 1.31 0.00 0.00 55.95 56.34 2jxx s SER 42 Cb -0.06 -2.28 -0.05 0.00 0.21 0.00 0.00 66.02 63.84 2jxx s SER 42 CO 0.00 -0.81 0.40 -0.22 0.41 0.00 0.00 173.24 173.02 2jxx s LEU 43 N 2.58 4.37 0.28 2.44 2.96 -0.47 -4.88 118.68 125.96 2jxx s LEU 43 Ca 0.16 0.82 -0.29 0.00 -0.22 0.00 0.00 54.13 54.61 2jxx s LEU 43 Cb -0.18 -2.57 -0.09 0.00 0.50 0.00 0.00 46.19 43.85 2jxx s LEU 43 CO 0.14 0.18 1.00 -0.44 -1.32 0.00 0.00 176.35 175.91 2jxx s SER 44 N -0.25 7.39 0.52 3.68 0.01 -1.26 -0.50 113.70 123.29 2jxx s SER 44 Ca 0.23 2.05 0.25 0.00 1.31 0.00 0.00 55.95 59.79 2jxx s SER 44 Cb -0.15 -2.61 1.44 0.00 0.21 0.00 0.00 66.02 64.91 2jxx s SER 44 CO 0.10 -0.03 2.10 0.08 0.41 0.00 0.00 173.24 175.90 2jxx h ARG 45 N 3.74 0.00 0.00 12.44 0.11 -1.70 -1.73 114.38 127.24 2jxx h ARG 45 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 2jxx h ARG 45 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 2jxx h ARG 45 CO 0.67 0.10 -1.13 -3.47 0.10 0.00 0.00 179.97 176.24 2jxx n ASP 46 N -3.84 0.58 -4.74 0.08 2.03 -1.26 -4.12 116.55 105.27 2jxx n ASP 46 Ca -0.02 -0.11 -0.39 0.00 0.52 0.00 0.00 54.79 54.79 2jxx n ASP 46 Cb 0.20 0.88 -0.05 0.00 -0.72 0.00 0.00 41.12 41.42 2jxx n ASP 46 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2jxx s SER 47 N -4.20 6.93 0.87 1.67 0.01 -0.65 -5.03 113.70 113.30 2jxx s SER 47 Ca 0.02 1.11 -0.11 0.00 1.31 0.00 0.00 55.95 58.28 2jxx s SER 47 Cb 0.14 -2.36 0.12 0.00 0.21 0.00 0.00 66.02 64.12 2jxx s SER 47 CO 0.81 0.03 1.09 -2.16 0.41 0.00 0.00 173.24 173.42 2jxx s PRO 48 N 0.20 1.43 0.58 12.44 0.05 -1.26 -4.47 135.00 143.97 2jxx s PRO 48 Ca 0.32 0.95 0.27 0.00 0.05 0.00 0.00 61.00 62.59 2jxx s PRO 48 Cb -0.18 -1.82 1.62 0.00 0.05 0.00 0.00 34.50 34.17 2jxx s PRO 48 CO 0.16 -2.15 2.11 -0.07 0.05 0.00 0.00 177.00 177.10 2jxx h LEU 49 N -1.49 0.00 -1.32 -3.56 -0.00 -1.01 -2.79 115.31 105.14 2jxx h LEU 49 Ca -0.48 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.44 2jxx h LEU 49 Cb 1.27 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.89 2jxx h LEU 49 CO 0.53 0.00 0.49 0.07 -0.00 0.00 0.00 178.44 179.53 2jxx h LYS 50 N 0.00 0.85 -0.01 1.13 2.10 -1.51 0.22 116.57 119.36 2jxx h LYS 50 Ca 0.08 -0.05 -0.14 0.00 -2.00 0.00 0.00 60.65 58.55 2jxx h LYS 50 Cb 0.43 -0.19 -0.02 0.00 -0.90 0.00 0.00 32.23 31.55 2jxx h LYS 50 CO -0.00 0.56 -0.63 0.00 -2.00 0.00 0.00 179.45 177.38 2jxx h THR 51 N 0.88 1.44 -0.26 0.07 1.03 -1.79 -1.27 112.91 113.01 2jxx h THR 51 Ca 0.30 -2.14 -0.19 0.00 -0.01 0.00 0.00 66.41 64.37 2jxx h THR 51 Cb 0.09 2.15 0.00 0.00 -1.07 0.00 0.00 68.15 69.32 2jxx h THR 51 CO -0.09 0.61 -0.57 0.25 -0.01 0.00 0.00 175.52 175.71 2jxx h LEU 52 N 0.03 0.95 -0.69 0.00 6.46 -1.50 -1.93 115.31 118.63 2jxx h LEU 52 Ca -0.01 -0.55 0.07 0.00 -0.12 0.00 0.00 57.88 57.27 2jxx h LEU 52 Cb 1.12 -0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 40.72 2jxx h LEU 52 CO 0.08 1.33 0.38 0.24 -0.62 0.00 0.00 178.44 179.85 2jxx h MET 53 N 0.62 0.67 -0.63 1.25 2.86 -0.81 -1.63 114.93 117.25 2jxx h MET 53 Ca 0.00 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 2jxx h MET 53 Cb 1.19 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.67 2jxx h MET 53 CO 0.13 0.44 0.19 1.03 1.06 0.00 0.00 176.91 179.76 2jxx h SER 54 N 0.69 0.92 -0.23 1.22 0.87 -1.18 -2.97 113.55 112.87 2jxx h SER 54 Ca 0.31 -0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 2jxx h SER 54 Cb 0.22 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2jxx h SER 54 CO -0.20 0.89 -0.03 -0.74 -0.53 0.00 0.00 176.83 176.22 2jxx h HIS 55 N 0.91 0.47 0.57 2.24 6.17 -0.82 -1.95 115.15 122.74 2jxx h HIS 55 Ca 0.20 -0.09 -0.02 0.00 0.71 0.00 0.00 60.37 61.17 2jxx h HIS 55 Cb 0.30 -0.12 -0.01 0.00 2.52 0.00 0.00 27.41 30.10 2jxx h HIS 55 CO 0.02 0.63 -0.47 -0.92 0.71 0.00 0.00 177.93 177.91 2jxx h TYR 56 N 0.17 -1.27 -0.95 5.26 3.20 -1.32 -1.23 116.97 120.83 2jxx h TYR 56 Ca 0.06 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.95 2jxx h TYR 56 Cb 0.47 0.48 -0.05 0.00 1.54 0.00 0.00 36.73 39.17 2jxx h TYR 56 CO 0.04 -0.65 0.63 1.05 -1.64 0.00 0.00 178.16 177.59 2jxx h GLU 57 N -1.01 1.22 -0.68 1.82 4.11 -1.55 -2.27 114.58 116.23 2jxx h GLU 57 Ca -0.07 -0.07 -0.07 0.00 0.07 0.00 0.00 59.36 59.21 2jxx h GLU 57 Cb 0.85 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2jxx h GLU 57 CO 0.00 0.81 0.13 0.93 0.07 0.00 0.00 179.01 180.95 2jxx h GLU 58 N 1.26 1.11 -0.58 1.06 4.39 -1.36 0.00 114.58 120.46 2jxx h GLU 58 Ca 0.36 -0.29 0.04 0.00 0.34 0.00 0.00 59.36 59.81 2jxx h GLU 58 Cb -0.10 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.37 2jxx h GLU 58 CO -0.09 1.00 0.33 0.00 -1.16 0.00 0.00 179.01 179.09 2jxx h ALA 59 N 1.06 0.75 -0.46 3.43 0.00 -0.63 -2.97 119.26 120.44 2jxx h ALA 59 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.92 2jxx h ALA 59 Cb 0.42 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 17.95 2jxx h ALA 59 CO 0.01 0.02 0.06 0.00 0.00 0.00 0.00 179.25 179.34 2jxx n MET 60 N -4.80 2.16 -3.64 0.00 0.00 -1.08 -5.01 117.12 104.75 2jxx n MET 60 Ca 0.06 -3.10 -0.24 0.00 0.00 0.00 0.00 57.70 54.41 2jxx n MET 60 Cb 0.12 -1.90 0.00 0.00 0.00 0.00 0.00 33.22 31.45 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 -0.99 -0.88 2.85 3.17 0.00 -0.70 -4.87 105.19 103.77 2jxx n GLY 61 Ca 0.36 0.39 -0.42 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.72 6.73 -4.43 0.99 7.99 -0.10 -4.93 117.00 120.53 2jxx n LEU 62 Ca -0.20 -4.68 -0.43 0.00 -0.01 0.00 0.00 56.01 50.70 2jxx n LEU 62 Cb 0.49 -1.46 -0.10 0.00 -0.11 0.00 0.00 43.42 42.24 2jxx n LEU 62 CO 0.51 1.43 -0.07 -0.94 -1.51 0.00 0.00 177.39 176.80 2jxx s SER 63 N 0.72 6.04 0.00 -1.43 1.04 -1.26 -4.72 113.70 114.09 2jxx s SER 63 Ca 0.40 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.83 2jxx s SER 63 Cb 0.10 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 64.08 2jxx s SER 63 CO 0.00 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.36 2jxx n GLY 64 N 5.13 1.20 3.73 7.32 0.00 -1.26 -5.07 105.19 116.24 2jxx n GLY 64 Ca -0.11 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 2jxx n GLY 64 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jxx s ARG 65 N 0.00 4.59 0.15 1.61 1.70 -1.26 -5.08 118.95 120.66 2jxx s ARG 65 Ca 0.00 1.26 0.05 0.00 -0.47 0.00 0.00 55.73 56.57 2jxx s ARG 65 Cb 0.00 -3.38 -0.04 0.00 -0.57 0.00 0.00 34.95 30.96 2jxx s ARG 65 CO 0.00 0.23 0.13 0.21 -1.08 0.00 0.00 175.30 174.78 2jxx s LYS 66 N 0.05 2.89 0.14 3.89 2.47 -1.26 -4.94 119.74 122.98 2jxx s LYS 66 Ca 0.43 -0.85 0.06 0.00 -1.56 0.00 0.00 55.97 54.05 2jxx s LYS 66 Cb -0.22 -2.65 -0.04 0.00 -1.46 0.00 0.00 37.83 33.46 2jxx s LYS 66 CO 0.26 0.49 -0.14 -0.48 0.16 0.00 0.00 175.35 175.64 2jxx s LEU 67 N -3.01 2.43 0.40 5.43 -0.00 -1.26 -4.76 118.68 117.91 2jxx s LEU 67 Ca 0.31 -0.84 0.08 0.00 -0.00 0.00 0.00 54.13 53.67 2jxx s LEU 67 Cb -0.10 -0.59 -0.01 0.00 -0.00 0.00 0.00 46.19 45.49 2jxx s LEU 67 CO 0.23 -0.14 0.43 -0.44 -0.00 0.00 0.00 176.35 176.43 2jxx s SER 68 N -2.58 5.30 -0.05 1.48 0.01 -0.48 -4.93 113.70 112.45 2jxx s SER 68 Ca 0.11 -0.59 0.02 0.00 1.31 0.00 0.00 55.95 56.80 2jxx s SER 68 Cb -0.04 -0.68 0.01 0.00 0.21 0.00 0.00 66.02 65.51 2jxx s SER 68 CO 0.04 -0.63 -0.10 -0.36 0.41 0.00 0.00 173.24 172.59 2jxx s PHE 69 N -2.40 1.18 -0.12 2.43 0.40 -1.26 -0.60 117.98 117.61 2jxx s PHE 69 Ca 0.49 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.45 2jxx s PHE 69 Cb -0.06 -0.87 0.02 0.00 0.51 0.00 0.00 43.02 42.62 2jxx s PHE 69 CO 0.29 -0.19 -0.11 -0.06 0.70 0.00 0.00 175.22 175.85 2jxx s PHE 70 N 0.51 1.70 -0.39 0.36 0.40 -0.61 -1.47 117.98 118.47 2jxx s PHE 70 Ca -0.10 -0.85 -0.13 0.00 -0.60 0.00 0.00 56.93 55.26 2jxx s PHE 70 Cb -0.13 -1.32 0.03 0.00 0.51 0.00 0.00 43.02 42.11 2jxx s PHE 70 CO 0.02 -0.52 0.25 0.12 0.70 0.00 0.00 175.22 175.80 2jxx s PHE 71 N 1.44 3.25 -1.53 0.36 5.36 -0.76 -0.41 117.98 125.70 2jxx s PHE 71 Ca 0.01 -0.82 -0.13 0.00 -0.96 0.00 0.00 56.93 55.04 2jxx s PHE 71 Cb -0.13 -2.53 0.08 0.00 -0.34 0.00 0.00 43.02 40.10 2jxx s PHE 71 CO -0.07 -0.63 0.95 -3.47 -1.46 0.00 0.00 175.22 170.54 2jxx n ASP 72 N 5.07 -4.45 0.00 6.13 2.03 -1.26 -1.71 116.55 122.36 2jxx n ASP 72 Ca -0.11 -0.80 0.00 0.00 0.52 0.00 0.00 54.79 54.40 2jxx n ASP 72 Cb 0.46 -3.83 0.00 0.00 -0.72 0.00 0.00 41.12 37.03 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 -1.68 0.55 3.66 0.27 0.00 -1.26 -5.01 105.19 101.72 2jxx n GLY 73 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.50 4.74 -0.26 2.61 2.01 -0.70 -5.00 115.64 116.53 2jxx s THR 74 Ca 0.00 1.92 -0.29 0.00 0.31 0.00 0.00 61.69 63.63 2jxx s THR 74 Cb 0.00 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.23 2jxx s THR 74 CO 0.00 -0.12 1.66 -0.75 -0.69 0.00 0.00 174.62 174.72 2jxx s LYS 75 N 2.92 3.65 -0.32 4.92 2.36 -1.26 -1.82 119.74 130.19 2jxx s LYS 75 Ca 0.42 1.55 -0.26 0.00 -2.55 0.00 0.00 55.97 55.14 2jxx s LYS 75 Cb -0.16 -4.08 0.01 0.00 -1.05 0.00 0.00 37.83 32.55 2jxx s LYS 75 CO 0.08 -1.48 0.92 -0.51 1.55 0.00 0.00 175.35 175.91 2jxx s LEU 76 N 5.71 4.02 0.35 5.43 1.43 -0.54 -4.94 118.68 130.14 2jxx s LEU 76 Ca 0.73 0.82 0.17 0.00 -1.03 0.00 0.00 54.13 54.82 2jxx s LEU 76 Cb -0.24 -3.29 0.63 0.00 0.03 0.00 0.00 46.19 43.32 2jxx s LEU 76 CO 0.31 -0.74 1.72 0.28 0.23 0.00 0.00 176.35 178.15 2jxx h SER 77 N 8.12 0.00 0.00 2.29 0.02 -1.93 -3.42 113.55 118.63 2jxx h SER 77 Ca -0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2jxx h SER 77 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2jxx h SER 77 CO 0.95 0.43 0.00 0.61 -1.14 0.00 0.00 176.83 177.68 2jxx n GLY 78 N 0.16 3.71 0.02 -3.77 0.00 -1.26 -4.96 105.19 99.09 2jxx n GLY 78 Ca -0.01 -0.94 0.16 0.00 0.00 0.00 0.00 46.02 45.23 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 0.91 -2.61 1.61 1.74 -1.26 -1.46 116.66 115.58 2jxx n ARG 79 Ca 0.00 -0.04 -0.35 0.00 -0.77 0.00 0.00 57.85 56.69 2jxx n ARG 79 Cb 0.00 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 29.90 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 -2.12 4.05 0.07 5.56 8.01 -1.26 -4.88 118.70 128.12 2jxx s GLU 80 Ca 0.43 1.37 0.01 0.00 0.01 0.00 0.00 54.97 56.80 2jxx s GLU 80 Cb 0.22 -2.30 -0.04 0.00 -4.31 0.00 0.00 34.13 27.69 2jxx s GLU 80 CO 0.39 -0.22 0.14 -0.51 0.01 0.00 0.00 175.26 175.07 2jxx s LEU 81 N -3.06 4.07 0.48 1.80 1.43 -1.26 -1.01 118.68 121.12 2jxx s LEU 81 Ca 0.62 0.13 0.24 0.00 -1.03 0.00 0.00 54.13 54.08 2jxx s LEU 81 Cb -0.17 -2.70 1.20 0.00 0.03 0.00 0.00 46.19 44.55 2jxx s LEU 81 CO 0.21 0.17 1.98 1.55 0.23 0.00 0.00 176.35 180.50 2jxx h PRO 82 N 3.22 0.00 -0.65 1.29 0.13 -1.78 -1.67 132.00 132.54 2jxx h PRO 82 Ca -0.46 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 2jxx h PRO 82 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2jxx h PRO 82 CO 0.70 0.19 0.18 0.00 -0.23 0.00 0.00 178.00 178.84 2jxx h ALA 83 N 1.81 0.85 -0.28 -0.56 0.00 -1.85 0.27 119.26 119.51 2jxx h ALA 83 Ca -0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 2jxx h ALA 83 Cb 0.47 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2jxx h ALA 83 CO 0.02 0.54 -0.20 0.22 0.00 0.00 0.00 179.25 179.84 2jxx h ASP 84 N 0.95 0.67 1.21 0.00 3.58 -1.68 -3.15 116.42 117.99 2jxx h ASP 84 Ca 0.21 -0.44 0.00 0.00 0.42 0.00 0.00 57.03 57.22 2jxx h ASP 84 Cb 0.33 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2jxx h ASP 84 CO -0.00 0.97 0.00 -0.07 -2.88 0.00 0.00 179.24 177.25 2jxx h LEU 85 N 0.38 0.00 -2.09 2.28 3.38 -1.36 -3.47 115.31 114.43 2jxx h LEU 85 Ca 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2jxx h LEU 85 Cb 0.74 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.51 2jxx h LEU 85 CO 0.05 0.00 -0.08 0.61 0.09 0.00 0.00 178.44 179.11 2jxx n GLY 86 N 0.25 0.40 3.79 0.83 0.00 -0.89 -5.09 105.19 104.48 2jxx n GLY 86 Ca 0.01 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 2jxx n GLY 86 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jxx s MET 87 N -4.02 2.85 0.06 1.61 0.00 0.03 -5.05 119.30 114.78 2jxx s MET 87 Ca 0.01 -0.96 -0.01 0.00 0.00 0.00 0.00 55.69 54.73 2jxx s MET 87 Cb -0.00 -2.58 -0.04 0.00 0.00 0.00 0.00 34.83 32.21 2jxx s MET 87 CO 0.08 0.45 -0.03 -2.00 0.00 0.00 0.00 175.02 173.52 2jxx s GLU 88 N -3.33 0.64 -0.04 4.11 2.12 -1.26 -4.72 118.70 116.22 2jxx s GLU 88 Ca 0.31 -1.24 -0.30 0.00 0.36 0.00 0.00 54.97 54.11 2jxx s GLU 88 Cb -0.09 0.16 -0.07 0.00 0.26 0.00 0.00 34.13 34.38 2jxx s GLU 88 CO 0.23 -0.10 1.95 -1.12 -0.54 0.00 0.00 175.26 175.68 2jxx s SER 89 N -2.94 6.29 0.00 -1.70 0.01 -1.26 -2.82 113.70 111.27 2jxx s SER 89 Ca 0.08 2.39 0.00 0.00 1.31 0.00 0.00 55.95 59.73 2jxx s SER 89 Cb 0.08 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2jxx s SER 89 CO -0.09 -1.22 0.00 0.61 0.41 0.00 0.00 173.24 172.95 2jxx n GLY 90 N 4.72 0.52 0.00 3.44 0.00 0.12 -4.86 105.19 109.14 2jxx n GLY 90 Ca 0.21 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2jxx n GLY 90 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jxx n ASP 91 N -0.48 0.29 -3.55 1.61 -0.08 -1.13 -5.03 116.55 108.18 2jxx n ASP 91 Ca 0.00 -0.09 -0.22 0.00 -1.51 0.00 0.00 54.79 52.97 2jxx n ASP 91 Cb 0.35 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.66 2jxx n ASP 91 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2jxx s LEU 92 N 0.00 0.11 0.03 -2.67 2.96 -1.26 -4.10 118.68 113.75 2jxx s LEU 92 Ca 0.00 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.48 2jxx s LEU 92 Cb 0.00 0.09 -0.04 0.00 0.50 0.00 0.00 46.19 46.74 2jxx s LEU 92 CO 0.00 -0.34 0.18 -0.63 -1.32 0.00 0.00 176.35 174.24 2jxx s ILE 93 N 2.24 5.25 0.30 6.68 1.01 -0.28 -4.34 121.20 132.05 2jxx s ILE 93 Ca 0.05 -0.36 0.10 0.00 0.00 0.00 0.00 60.65 60.44 2jxx s ILE 93 Cb -0.16 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 2jxx s ILE 93 CO -0.11 0.22 -0.03 -1.61 0.00 0.00 0.00 174.94 173.40 2jxx s GLU 94 N -2.24 2.09 -0.25 2.79 2.02 0.45 -2.50 118.70 121.06 2jxx s GLU 94 Ca 0.31 -1.62 -0.04 0.00 0.02 0.00 0.00 54.97 53.64 2jxx s GLU 94 Cb -0.13 -1.99 0.08 0.00 0.10 0.00 0.00 34.13 32.19 2jxx s GLU 94 CO 0.23 0.26 0.10 0.08 0.02 0.00 0.00 175.26 175.96 2jxx s VAL 95 N -2.44 0.11 -0.33 2.63 1.01 0.36 -1.58 120.40 120.16 2jxx s VAL 95 Ca 0.33 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 2jxx s VAL 95 Cb -0.04 -0.96 0.06 0.00 0.00 0.00 0.00 36.38 35.45 2jxx s VAL 95 CO 0.19 -0.54 0.06 0.26 0.00 0.00 0.00 175.10 175.07 2jxx s TRP 96 N 2.03 3.32 -0.21 5.22 0.52 0.23 0.22 118.94 130.26 2jxx s TRP 96 Ca 0.06 -1.85 0.02 0.00 0.02 0.00 0.00 56.10 54.35 2jxx s TRP 96 Cb -0.16 -2.35 0.01 0.00 -1.15 0.00 0.00 33.47 29.82 2jxx s TRP 96 CO -0.24 -0.81 0.55 0.41 0.02 0.00 0.00 176.95 176.87