#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 0.00 -3.72 -0.78 4.07 -1.26 -5.03 120.64 113.92 2jxx n GLU 21 Ca 0.00 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.76 2jxx n GLU 21 Cb 0.00 -0.04 -0.08 0.00 -0.06 0.00 0.00 31.44 31.26 2jxx n GLU 21 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2jxx s THR 22 N -1.92 3.90 -1.04 6.31 -4.23 -1.26 -4.92 115.64 112.47 2jxx s THR 22 Ca 0.00 -3.90 -0.02 0.00 -1.18 0.00 0.00 61.69 56.58 2jxx s THR 22 Cb 0.00 -3.46 0.31 0.00 1.34 0.00 0.00 72.50 70.69 2jxx s THR 22 CO 0.00 -1.05 1.58 -1.54 -0.54 0.00 0.00 174.62 173.08 2jxx n SER 23 N 2.33 6.67 -0.08 3.99 3.41 -1.26 -4.56 113.62 124.12 2jxx n SER 23 Ca 0.20 -3.52 -0.18 0.00 -0.26 0.00 0.00 58.87 55.10 2jxx n SER 23 Cb 0.36 -1.20 -0.12 0.00 -0.26 0.00 0.00 64.21 62.99 2jxx n SER 23 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 2jxx h GLN 24 N 4.90 0.02 -6.16 4.33 3.07 -2.01 -3.49 115.11 115.77 2jxx h GLN 24 Ca 0.32 -0.04 -0.53 0.00 0.09 0.00 0.00 58.65 58.49 2jxx h GLN 24 Cb 0.50 0.01 -0.05 0.00 0.08 0.00 0.00 27.48 28.03 2jxx h GLN 24 CO 1.26 1.02 -0.51 -0.65 0.09 0.00 0.00 178.83 180.03 2jxx s GLN 25 N -2.30 3.11 -0.12 0.06 -1.52 -1.26 -4.71 119.66 112.92 2jxx s GLN 25 Ca -0.23 -0.83 -0.18 0.00 -1.95 0.00 0.00 55.36 52.17 2jxx s GLN 25 Cb 0.01 -2.74 -0.04 0.00 -0.22 0.00 0.00 33.01 30.02 2jxx s GLN 25 CO 0.66 0.47 0.49 -0.51 -0.25 0.00 0.00 175.29 176.15 2jxx s LEU 26 N -3.41 4.27 -0.59 2.90 1.43 0.06 -4.90 118.68 118.44 2jxx s LEU 26 Ca 0.33 0.83 -0.22 0.00 -1.03 0.00 0.00 54.13 54.03 2jxx s LEU 26 Cb -0.10 -2.72 0.06 0.00 0.03 0.00 0.00 46.19 43.47 2jxx s LEU 26 CO 0.26 -0.02 0.88 -1.10 0.23 0.00 0.00 176.35 176.60 2jxx s GLN 27 N 0.69 3.17 -0.23 1.70 -1.52 -1.24 -1.39 119.66 120.85 2jxx s GLN 27 Ca 0.26 -0.71 -0.07 0.00 -1.95 0.00 0.00 55.36 52.90 2jxx s GLN 27 Cb -0.15 -4.16 -0.03 0.00 -0.22 0.00 0.00 33.01 28.45 2jxx s GLN 27 CO 0.11 -1.59 0.06 -0.51 -0.25 0.00 0.00 175.29 173.11 2jxx s LEU 28 N 3.66 3.46 -0.19 2.90 2.01 -1.13 -2.81 118.68 126.59 2jxx s LEU 28 Ca 0.22 -0.17 -0.20 0.00 0.01 0.00 0.00 54.13 53.99 2jxx s LEU 28 Cb -0.17 -1.91 -0.03 0.00 0.01 0.00 0.00 46.19 44.09 2jxx s LEU 28 CO 0.13 0.01 0.60 -0.13 1.01 0.00 0.00 176.35 177.96 2jxx s ARG 29 N 1.36 4.23 -0.30 1.70 0.52 -0.94 -3.19 118.95 122.33 2jxx s ARG 29 Ca 0.05 0.57 -0.10 0.00 -0.52 0.00 0.00 55.73 55.73 2jxx s ARG 29 Cb -0.15 -3.56 -0.02 0.00 0.52 0.00 0.00 34.95 31.74 2jxx s ARG 29 CO 0.03 -0.18 0.17 0.14 0.02 0.00 0.00 175.30 175.48 2jxx s VAL 30 N 1.71 4.84 -0.07 3.52 -7.23 0.25 -1.21 120.40 122.22 2jxx s VAL 30 Ca 0.28 -0.22 0.03 0.00 -1.81 0.00 0.00 61.98 60.26 2jxx s VAL 30 Cb -0.16 -3.41 0.01 0.00 0.56 0.00 0.00 36.38 33.38 2jxx s VAL 30 CO 0.11 0.13 -0.15 -1.10 -0.31 0.00 0.00 175.10 173.78 2jxx s GLN 31 N 1.67 1.91 0.56 4.82 -0.21 -0.87 -2.16 119.66 125.37 2jxx s GLN 31 Ca 0.06 -0.51 0.01 0.00 0.02 0.00 0.00 55.36 54.93 2jxx s GLN 31 Cb -0.17 -1.56 0.04 0.00 1.00 0.00 0.00 33.01 32.32 2jxx s GLN 31 CO 0.08 0.09 0.79 0.20 -2.12 0.00 0.00 175.29 174.32 2jxx s GLY 32 N 0.51 1.82 0.17 3.09 0.00 -1.18 -1.99 107.32 109.74 2jxx s GLY 32 Ca -0.13 -1.34 0.10 0.00 0.00 0.00 0.00 44.72 43.35 2jxx s GLY 32 CO 0.04 -1.04 1.28 0.58 0.00 0.00 0.00 173.10 173.96 2jxx n LYS 33 N -2.37 0.07 -2.45 2.90 2.85 -0.52 -4.15 118.16 114.49 2jxx n LYS 33 Ca 0.08 0.54 -0.42 0.00 -1.05 0.00 0.00 58.31 57.46 2jxx n LYS 33 Cb 0.60 -1.78 -0.02 0.00 -0.65 0.00 0.00 35.03 33.18 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 -3.21 3.49 0.62 -1.58 0.41 -1.26 -4.93 118.70 112.24 2jxx s GLU 34 Ca -0.01 0.59 0.40 0.00 -0.41 0.00 0.00 54.97 55.54 2jxx s GLU 34 Cb 0.03 -4.04 2.01 0.00 -1.78 0.00 0.00 34.13 30.36 2jxx s GLU 34 CO 0.09 -1.69 2.22 1.57 -0.49 0.00 0.00 175.26 176.96 2jxx h LYS 35 N 10.38 0.00 -0.01 1.61 2.10 -2.01 -1.14 116.57 127.51 2jxx h LYS 35 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 2jxx h LYS 35 Cb 1.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 2jxx h LYS 35 CO 1.14 0.00 -0.80 0.72 -2.00 0.00 0.00 179.45 178.51 2jxx n HIS 36 N -3.07 0.00 -2.04 0.07 8.25 -1.26 -4.85 115.22 112.32 2jxx n HIS 36 Ca -0.02 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.18 2jxx n HIS 36 Cb 0.16 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.21 2jxx n HIS 36 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2jxx s GLN 37 N -2.81 2.53 -0.39 -0.41 2.00 -0.43 -4.91 119.66 115.24 2jxx s GLN 37 Ca 0.12 -0.38 -0.09 0.00 -2.00 0.00 0.00 55.36 53.00 2jxx s GLN 37 Cb 0.17 -5.08 0.05 0.00 0.80 0.00 0.00 33.01 28.95 2jxx s GLN 37 CO 0.76 -3.47 0.21 0.99 -0.50 0.00 0.00 175.29 173.28 2jxx s THR 38 N 10.28 4.27 -0.02 -0.34 2.01 -1.26 -3.12 115.64 127.46 2jxx s THR 38 Ca 0.70 -1.15 0.03 0.00 0.31 0.00 0.00 61.69 61.59 2jxx s THR 38 Cb -0.06 -3.49 -0.00 0.00 0.01 0.00 0.00 72.50 68.96 2jxx s THR 38 CO 0.01 -0.34 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.27 2jxx s LEU 39 N 1.47 1.89 0.00 4.42 1.98 -0.92 -5.06 118.68 122.46 2jxx s LEU 39 Ca 0.02 -0.21 0.03 0.00 -2.89 0.00 0.00 54.13 51.08 2jxx s LEU 39 Cb -0.21 -0.61 -0.01 0.00 0.66 0.00 0.00 46.19 46.02 2jxx s LEU 39 CO 0.04 0.10 -0.11 -1.83 -1.89 0.00 0.00 176.35 172.67 2jxx s GLU 40 N -0.01 0.83 0.03 1.98 -1.05 -1.26 -0.58 118.70 118.63 2jxx s GLU 40 Ca -0.00 -0.46 -0.01 0.00 -0.15 0.00 0.00 54.97 54.36 2jxx s GLU 40 Cb -0.07 -0.80 -0.02 0.00 -0.44 0.00 0.00 34.13 32.80 2jxx s GLU 40 CO 0.00 0.21 -0.02 0.54 0.95 0.00 0.00 175.26 176.95 2jxx s VAL 41 N -0.41 0.14 -0.43 1.83 0.11 -1.19 -4.98 120.40 115.47 2jxx s VAL 41 Ca 0.03 -1.13 -0.21 0.00 -2.93 0.00 0.00 61.98 57.75 2jxx s VAL 41 Cb -0.05 -0.59 0.02 0.00 -1.53 0.00 0.00 36.38 34.23 2jxx s VAL 41 CO -0.00 -0.62 0.64 -0.44 -3.33 0.00 0.00 175.10 171.35 2jxx s SER 42 N -1.84 6.34 -0.13 3.54 0.01 -1.26 -2.82 113.70 117.53 2jxx s SER 42 Ca -0.10 -0.27 -0.06 0.00 1.31 0.00 0.00 55.95 56.84 2jxx s SER 42 Cb -0.05 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 2jxx s SER 42 CO -0.03 -0.75 0.08 -0.22 0.41 0.00 0.00 173.24 172.73 2jxx s LEU 43 N 2.80 4.01 0.35 2.44 2.96 -0.48 -4.98 118.68 125.77 2jxx s LEU 43 Ca 0.23 0.26 -0.26 0.00 -0.22 0.00 0.00 54.13 54.14 2jxx s LEU 43 Cb -0.14 -1.98 -0.09 0.00 0.50 0.00 0.00 46.19 44.48 2jxx s LEU 43 CO 0.18 0.32 1.03 -0.55 -1.32 0.00 0.00 176.35 176.02 2jxx s SER 44 N -0.53 7.05 0.52 3.68 0.15 -1.26 -0.76 113.70 122.55 2jxx s SER 44 Ca 0.11 2.05 0.17 0.00 0.70 0.00 0.00 55.95 58.98 2jxx s SER 44 Cb -0.12 -2.60 1.30 0.00 -1.71 0.00 0.00 66.02 62.89 2jxx s SER 44 CO 0.02 -0.28 2.14 0.08 1.20 0.00 0.00 173.24 176.40 2jxx h ARG 45 N 3.05 0.00 -0.12 5.44 0.11 -1.92 -2.30 114.38 118.64 2jxx h ARG 45 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 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 0.64 0.03 0.00 -0.25 0.10 0.00 0.00 179.97 180.49 2jxx n ASP 46 N -4.42 2.25 -4.77 0.08 8.00 -1.26 -3.23 116.55 113.19 2jxx n ASP 46 Ca -0.03 -1.63 -0.38 0.00 0.71 0.00 0.00 54.79 53.46 2jxx n ASP 46 Cb 0.11 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.08 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 -0.96 6.67 0.72 -2.24 0.01 -0.87 -5.00 113.70 112.05 2jxx s SER 47 Ca 0.16 0.80 -0.14 0.00 1.31 0.00 0.00 55.95 58.08 2jxx s SER 47 Cb 0.10 -2.25 0.04 0.00 0.21 0.00 0.00 66.02 64.12 2jxx s SER 47 CO 0.15 0.15 1.15 -2.84 0.41 0.00 0.00 173.24 172.26 2jxx s PRO 48 N -0.10 2.30 0.57 12.44 0.02 -1.26 -4.36 135.00 144.61 2jxx s PRO 48 Ca 0.23 1.53 0.28 0.00 0.02 0.00 0.00 61.00 63.06 2jxx s PRO 48 Cb -0.15 -1.88 1.48 0.00 0.02 0.00 0.00 34.50 33.97 2jxx s PRO 48 CO 0.10 -1.66 1.96 -0.07 -0.33 0.00 0.00 177.00 176.99 2jxx h LEU 49 N -0.41 0.00 -1.21 -5.54 -0.00 -0.81 -2.32 115.31 105.02 2jxx h LEU 49 Ca -0.46 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.48 2jxx h LEU 49 Cb 1.27 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.87 2jxx h LEU 49 CO 0.51 0.00 0.56 0.07 -0.00 0.00 0.00 178.44 179.57 2jxx h LYS 50 N 0.00 0.94 -0.18 1.13 5.09 -1.64 -0.58 116.57 121.33 2jxx h LYS 50 Ca 0.23 -0.06 -0.09 0.00 0.09 0.00 0.00 60.65 60.82 2jxx h LYS 50 Cb 1.09 -0.21 -0.01 0.00 0.10 0.00 0.00 32.23 33.19 2jxx h LYS 50 CO -0.00 0.62 -0.28 0.00 -2.09 0.00 0.00 179.45 177.70 2jxx h THR 51 N 0.97 1.26 -0.20 0.07 1.03 -1.72 -1.85 112.91 112.47 2jxx h THR 51 Ca 0.36 -1.26 -0.18 0.00 -0.01 0.00 0.00 66.41 65.31 2jxx h THR 51 Cb 0.18 1.44 0.01 0.00 -1.07 0.00 0.00 68.15 68.71 2jxx h THR 51 CO -0.13 0.39 -0.59 0.25 -0.01 0.00 0.00 175.52 175.43 2jxx h LEU 52 N 0.31 0.87 -0.70 0.00 6.46 -1.54 -2.77 115.31 117.94 2jxx h LEU 52 Ca 0.04 -0.58 0.09 0.00 -0.12 0.00 0.00 57.88 57.31 2jxx h LEU 52 Cb 0.66 -0.25 -0.07 0.00 -0.73 0.00 0.00 40.66 40.27 2jxx h LEU 52 CO 0.05 1.30 0.36 0.24 -0.62 0.00 0.00 178.44 179.77 2jxx h MET 53 N 0.49 0.60 -0.30 1.25 2.86 -0.77 -1.50 114.93 117.56 2jxx h MET 53 Ca -0.02 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 2jxx h MET 53 Cb 1.22 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 2jxx h MET 53 CO 0.13 0.40 -0.23 0.77 1.06 0.00 0.00 176.91 179.03 2jxx h SER 54 N 0.62 0.56 -0.09 1.22 0.02 -1.36 -2.97 113.55 111.55 2jxx h SER 54 Ca 0.34 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 2jxx h SER 54 Cb 0.33 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2jxx h SER 54 CO -0.25 0.79 -0.19 -0.74 -1.14 0.00 0.00 176.83 175.30 2jxx h HIS 55 N 0.50 0.36 0.24 3.45 6.17 -1.06 -2.70 115.15 122.11 2jxx h HIS 55 Ca 0.07 -0.13 0.01 0.00 0.71 0.00 0.00 60.37 61.03 2jxx h HIS 55 Cb 0.67 -0.07 -0.04 0.00 2.52 0.00 0.00 27.41 30.50 2jxx h HIS 55 CO 0.03 0.79 -0.41 -0.92 0.71 0.00 0.00 177.93 178.13 2jxx h TYR 56 N -0.17 -1.13 -0.18 5.26 3.20 -1.33 -1.97 116.97 120.65 2jxx h TYR 56 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2jxx h TYR 56 Cb 0.77 0.46 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 2jxx h TYR 56 CO 0.11 -0.53 0.12 1.05 -1.64 0.00 0.00 178.16 177.27 2jxx h GLU 57 N -0.72 0.24 -0.27 1.82 4.11 -1.59 -1.52 114.58 116.65 2jxx h GLU 57 Ca -0.00 -0.02 -0.14 0.00 0.07 0.00 0.00 59.36 59.27 2jxx h GLU 57 Cb 0.70 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2jxx h GLU 57 CO -0.16 0.17 -0.40 0.93 0.07 0.00 0.00 179.01 179.62 2jxx h GLU 58 N 0.25 0.65 -0.10 1.06 5.08 -1.30 0.20 114.58 120.42 2jxx h GLU 58 Ca 0.07 -0.33 0.04 0.00 -1.00 0.00 0.00 59.36 58.14 2jxx h GLU 58 Cb -0.02 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 2jxx h GLU 58 CO -0.01 0.93 -0.20 0.00 -1.00 0.00 0.00 179.01 178.72 2jxx h ALA 59 N 1.03 -0.18 -0.60 3.43 0.00 -0.49 -2.71 119.26 119.74 2jxx h ALA 59 Ca 0.05 0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.74 2jxx h ALA 59 Cb 0.92 0.39 -0.15 0.00 0.00 0.00 0.00 17.79 18.95 2jxx h ALA 59 CO 0.08 -0.67 0.21 -1.33 0.00 0.00 0.00 179.25 177.54 2jxx n MET 60 N -5.34 2.52 -4.23 0.00 2.81 -1.22 -4.98 117.12 106.67 2jxx n MET 60 Ca -0.03 -3.07 -0.37 0.00 -1.81 0.00 0.00 57.70 52.41 2jxx n MET 60 Cb 0.25 -2.01 -0.06 0.00 -0.71 0.00 0.00 33.22 30.70 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 -0.83 -0.38 3.21 3.03 0.00 -1.02 -4.84 105.19 104.35 2jxx n GLY 61 Ca 0.41 0.24 -0.42 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.78 3.42 -4.51 0.99 7.99 0.69 -4.90 117.00 115.91 2jxx n LEU 62 Ca -0.25 -2.66 -0.39 0.00 -0.01 0.00 0.00 56.01 52.70 2jxx n LEU 62 Cb 0.65 -1.06 -0.11 0.00 -0.11 0.00 0.00 43.42 42.79 2jxx n LEU 62 CO 0.81 -0.81 -0.16 -0.44 -1.51 0.00 0.00 177.39 175.28 2jxx s SER 63 N 5.52 5.87 0.00 -1.43 0.01 -1.26 -4.67 113.70 117.73 2jxx s SER 63 Ca 0.61 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.49 2jxx s SER 63 Cb 0.13 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.27 2jxx s SER 63 CO 0.16 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2jxx n GLY 64 N 5.06 2.37 3.57 3.44 0.00 -1.26 -4.99 105.19 113.38 2jxx n GLY 64 Ca -0.13 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 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 3.04 0.03 1.61 3.52 -1.26 -5.00 118.95 120.89 2jxx s ARG 65 Ca 0.00 0.90 -0.01 0.00 -0.13 0.00 0.00 55.73 56.50 2jxx s ARG 65 Cb 0.00 -4.26 -0.04 0.00 -1.56 0.00 0.00 34.95 29.09 2jxx s ARG 65 CO 0.00 -2.23 0.17 0.21 -0.81 0.00 0.00 175.30 172.64 2jxx s LYS 66 N 6.19 3.33 0.18 5.12 2.47 -1.26 -4.83 119.74 130.94 2jxx s LYS 66 Ca 0.69 -0.44 0.08 0.00 -1.56 0.00 0.00 55.97 54.74 2jxx s LYS 66 Cb -0.16 -3.00 -0.04 0.00 -1.46 0.00 0.00 37.83 33.17 2jxx s LYS 66 CO 0.27 0.63 -0.15 -0.48 0.16 0.00 0.00 175.35 175.77 2jxx s LEU 67 N -2.24 2.49 0.21 5.43 -0.00 -1.26 -4.53 118.68 118.78 2jxx s LEU 67 Ca 0.31 -0.94 0.09 0.00 -0.00 0.00 0.00 54.13 53.59 2jxx s LEU 67 Cb -0.13 -0.69 -0.04 0.00 -0.00 0.00 0.00 46.19 45.33 2jxx s LEU 67 CO 0.23 -0.13 -0.05 -0.44 -0.00 0.00 0.00 176.35 175.96 2jxx s SER 68 N -2.97 4.45 -0.10 1.48 0.01 -0.38 -4.90 113.70 111.28 2jxx s SER 68 Ca 0.18 -0.58 0.03 0.00 1.31 0.00 0.00 55.95 56.89 2jxx s SER 68 Cb -0.03 -0.81 0.01 0.00 0.21 0.00 0.00 66.02 65.39 2jxx s SER 68 CO 0.06 0.06 -0.20 -0.36 0.41 0.00 0.00 173.24 173.21 2jxx s PHE 69 N -1.95 2.26 -0.02 2.43 0.40 -1.26 -1.10 117.98 118.75 2jxx s PHE 69 Ca 0.28 -0.99 0.05 0.00 -0.60 0.00 0.00 56.93 55.67 2jxx s PHE 69 Cb -0.08 -1.56 -0.01 0.00 0.51 0.00 0.00 43.02 41.88 2jxx s PHE 69 CO 0.18 -0.44 -0.16 -0.06 0.70 0.00 0.00 175.22 175.43 2jxx s PHE 70 N 0.61 1.47 -0.31 0.36 0.40 -1.10 -1.87 117.98 117.54 2jxx s PHE 70 Ca -0.14 -0.30 -0.00 0.00 -0.60 0.00 0.00 56.93 55.89 2jxx s PHE 70 Cb -0.17 -0.96 0.07 0.00 0.51 0.00 0.00 43.02 42.48 2jxx s PHE 70 CO 0.04 -0.04 0.02 0.12 0.70 0.00 0.00 175.22 176.05 2jxx s PHE 71 N -0.32 3.38 -1.56 0.36 5.36 -0.58 -0.38 117.98 124.24 2jxx s PHE 71 Ca 0.05 -2.20 -0.13 0.00 -0.96 0.00 0.00 56.93 53.68 2jxx s PHE 71 Cb -0.07 -2.36 0.10 0.00 -0.34 0.00 0.00 43.02 40.35 2jxx s PHE 71 CO -0.00 -0.87 0.88 -3.47 -1.46 0.00 0.00 175.22 170.30 2jxx n ASP 72 N 4.53 -3.87 0.00 6.13 2.03 -1.26 -1.51 116.55 122.59 2jxx n ASP 72 Ca -0.09 -0.86 0.00 0.00 0.52 0.00 0.00 54.79 54.36 2jxx n ASP 72 Cb 0.43 -3.53 0.00 0.00 -0.72 0.00 0.00 41.12 37.29 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 -1.62 2.19 3.63 0.27 0.00 -1.26 -5.01 105.19 103.39 2jxx n GLY 73 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.97 4.06 -0.19 2.61 2.01 -0.57 -4.97 115.64 115.62 2jxx s THR 74 Ca 0.00 1.21 -0.29 0.00 0.31 0.00 0.00 61.69 62.92 2jxx s THR 74 Cb 0.00 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 2jxx s THR 74 CO 0.00 -0.40 1.85 -0.75 -0.69 0.00 0.00 174.62 174.63 2jxx s LYS 75 N 4.19 3.64 -0.49 4.92 2.47 -1.26 -1.53 119.74 131.67 2jxx s LYS 75 Ca 0.59 1.89 -0.27 0.00 -1.56 0.00 0.00 55.97 56.62 2jxx s LYS 75 Cb -0.19 -4.16 0.03 0.00 -1.46 0.00 0.00 37.83 32.05 2jxx s LYS 75 CO 0.23 -1.50 1.07 -0.51 0.16 0.00 0.00 175.35 174.80 2jxx s LEU 76 N 6.02 3.75 0.37 5.43 1.43 -0.78 -4.91 118.68 129.99 2jxx s LEU 76 Ca 0.82 0.24 0.16 0.00 -1.03 0.00 0.00 54.13 54.33 2jxx s LEU 76 Cb -0.30 -3.33 0.74 0.00 0.03 0.00 0.00 46.19 43.33 2jxx s LEU 76 CO 0.33 -1.23 1.79 0.28 0.23 0.00 0.00 176.35 177.76 2jxx h SER 77 N 9.24 0.00 0.00 2.29 0.02 -1.92 -3.43 113.55 119.75 2jxx h SER 77 Ca -0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2jxx h SER 77 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2jxx h SER 77 CO 1.10 0.38 0.00 0.61 -1.14 0.00 0.00 176.83 177.79 2jxx n GLY 78 N -0.15 3.83 0.55 -3.77 0.00 -1.26 -4.97 105.19 99.42 2jxx n GLY 78 Ca -0.01 -0.74 0.04 0.00 0.00 0.00 0.00 46.02 45.31 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 1.71 -3.02 1.61 1.74 -1.26 -1.85 116.66 115.59 2jxx n ARG 79 Ca 0.00 -1.01 -0.34 0.00 -0.77 0.00 0.00 57.85 55.73 2jxx n ARG 79 Cb 0.00 -1.26 -0.06 0.00 -1.02 0.00 0.00 32.46 30.11 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 -1.63 4.17 0.10 5.56 8.01 -1.26 -4.90 118.70 128.75 2jxx s GLU 80 Ca 0.19 0.89 0.02 0.00 0.01 0.00 0.00 54.97 56.07 2jxx s GLU 80 Cb 0.10 -2.52 -0.04 0.00 -4.31 0.00 0.00 34.13 27.37 2jxx s GLU 80 CO 0.12 0.18 0.21 -0.51 0.01 0.00 0.00 175.26 175.27 2jxx s LEU 81 N -2.69 4.23 0.30 1.80 1.43 -1.26 -0.93 118.68 121.55 2jxx s LEU 81 Ca 0.53 0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 2jxx s LEU 81 Cb -0.12 -2.83 0.48 0.00 0.03 0.00 0.00 46.19 43.75 2jxx s LEU 81 CO 0.18 0.12 1.83 1.55 0.23 0.00 0.00 176.35 180.26 2jxx h PRO 82 N 2.74 0.66 -0.03 1.29 0.13 -1.76 -1.35 132.00 133.68 2jxx h PRO 82 Ca -0.47 -0.15 -0.08 0.00 -0.87 0.00 0.00 66.00 64.43 2jxx h PRO 82 Cb 1.18 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2jxx h PRO 82 CO 0.71 0.66 -0.36 0.00 -0.23 0.00 0.00 178.00 178.78 2jxx h ALA 83 N 1.40 1.34 -0.12 -0.56 0.00 -1.80 -0.24 119.26 119.28 2jxx h ALA 83 Ca 0.13 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 2jxx h ALA 83 Cb 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2jxx h ALA 83 CO 0.01 0.48 -0.30 0.22 0.00 0.00 0.00 179.25 179.67 2jxx h ASP 84 N 0.05 0.48 0.75 0.00 3.58 -1.64 -3.29 116.42 116.35 2jxx h ASP 84 Ca 0.00 -0.58 -0.05 0.00 0.42 0.00 0.00 57.03 56.83 2jxx h ASP 84 Cb 0.67 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 2jxx h ASP 84 CO 0.05 0.97 -0.24 -0.07 -2.88 0.00 0.00 179.24 177.06 2jxx h LEU 85 N 0.01 0.00 -0.56 2.28 3.38 -1.20 -3.47 115.31 115.75 2jxx h LEU 85 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jxx h LEU 85 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2jxx h LEU 85 CO 0.06 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.45 2jxx n GLY 86 N -0.05 0.69 3.88 0.83 0.00 -1.05 -5.12 105.19 104.37 2jxx n GLY 86 Ca -0.01 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.16 2.86 0.36 1.61 1.00 -0.13 -5.05 119.30 118.80 2jxx s MET 87 Ca 0.00 -1.18 0.05 0.00 0.00 0.00 0.00 55.69 54.56 2jxx s MET 87 Cb 0.00 -2.57 -0.03 0.00 0.00 0.00 0.00 34.83 32.23 2jxx s MET 87 CO 0.00 0.16 0.20 -2.00 0.00 0.00 0.00 175.02 173.38 2jxx s GLU 88 N -4.00 1.82 0.00 2.03 2.12 -1.26 -4.60 118.70 114.81 2jxx s GLU 88 Ca 0.40 -2.09 0.00 0.00 0.36 0.00 0.00 54.97 53.64 2jxx s GLU 88 Cb -0.07 -0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.18 2jxx s GLU 88 CO 0.27 -0.56 0.38 -1.13 -0.54 0.00 0.00 175.26 173.68 2jxx n SER 89 N -1.39 0.65 -2.73 -1.70 3.41 -1.26 -3.51 113.62 107.10 2jxx n SER 89 Ca 0.01 -1.42 -0.09 0.00 -0.26 0.00 0.00 58.87 57.11 2jxx n SER 89 Cb 0.64 -0.33 0.09 0.00 -0.26 0.00 0.00 64.21 64.35 2jxx n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jxx n GLY 90 N 0.15 0.52 2.92 5.00 0.00 -1.12 -3.63 105.19 109.03 2jxx n GLY 90 Ca 0.00 0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 0.51 2.45 -3.70 1.61 9.92 -1.23 -5.01 116.55 121.10 2jxx n ASP 91 Ca 0.06 -2.49 -0.24 0.00 -0.53 0.00 0.00 54.79 51.59 2jxx n ASP 91 Cb 0.69 0.01 -0.17 0.00 -0.64 0.00 0.00 41.12 41.01 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 0.00 0.56 0.11 0.64 2.96 -1.26 -2.21 118.68 119.48 2jxx s LEU 92 Ca 0.21 -0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 53.73 2jxx s LEU 92 Cb -0.02 -0.36 -0.05 0.00 0.50 0.00 0.00 46.19 46.27 2jxx s LEU 92 CO 0.13 -0.28 0.29 -0.63 -1.32 0.00 0.00 176.35 174.55 2jxx s ILE 93 N 2.03 5.29 0.13 6.68 1.01 -0.35 -4.42 121.20 131.58 2jxx s ILE 93 Ca 0.03 -0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.46 2jxx s ILE 93 Cb -0.14 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 2jxx s ILE 93 CO -0.06 0.05 0.10 -1.61 0.00 0.00 0.00 174.94 173.41 2jxx s GLU 94 N -2.71 2.84 -0.22 2.79 2.02 0.49 -2.06 118.70 121.85 2jxx s GLU 94 Ca 0.37 -0.82 -0.01 0.00 0.02 0.00 0.00 54.97 54.53 2jxx s GLU 94 Cb -0.12 -2.65 0.06 0.00 0.10 0.00 0.00 34.13 31.52 2jxx s GLU 94 CO 0.27 0.51 0.00 0.08 0.02 0.00 0.00 175.26 176.15 2jxx s VAL 95 N -1.59 0.97 -0.45 2.63 1.01 -0.84 -2.71 120.40 119.42 2jxx s VAL 95 Ca 0.30 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2jxx s VAL 95 Cb -0.11 -1.39 0.12 0.00 0.00 0.00 0.00 36.38 35.00 2jxx s VAL 95 CO 0.22 -0.19 0.22 0.26 0.00 0.00 0.00 175.10 175.61 2jxx s TRP 96 N 1.65 3.53 0.00 5.22 0.52 -0.26 -1.43 118.94 128.17 2jxx s TRP 96 Ca -0.02 -2.76 0.00 0.00 0.02 0.00 0.00 56.10 53.33 2jxx s TRP 96 Cb -0.18 -3.08 0.00 0.00 -1.15 0.00 0.00 33.47 29.07 2jxx s TRP 96 CO -0.08 -0.90 0.00 0.41 0.02 0.00 0.00 176.95 176.40