#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 1.51 -2.18 -0.78 0.28 -1.26 -4.95 120.64 113.26 2jxx n GLU 21 Ca 0.00 0.01 -0.42 0.00 -0.16 0.00 0.00 57.16 56.59 2jxx n GLU 21 Cb 0.00 -1.06 -0.03 0.00 1.43 0.00 0.00 31.44 31.78 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 -2.06 3.80 -0.01 3.84 -4.23 -1.26 -4.73 115.64 111.00 2jxx s THR 22 Ca -0.03 1.04 -0.00 0.00 -1.18 0.00 0.00 61.69 61.52 2jxx s THR 22 Cb 0.01 -3.67 -0.00 0.00 1.34 0.00 0.00 72.50 70.17 2jxx s THR 22 CO 0.08 -0.06 0.72 -1.20 -0.54 0.00 0.00 174.62 173.62 2jxx n SER 23 N 6.45 -1.38 0.07 3.99 7.64 -1.26 -4.67 113.62 124.46 2jxx n SER 23 Ca 0.15 -0.90 -0.16 0.00 1.01 0.00 0.00 58.87 58.97 2jxx n SER 23 Cb 0.44 -0.26 -0.14 0.00 -1.01 0.00 0.00 64.21 63.24 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 7.87 0.24 -6.93 1.43 4.15 -1.93 -3.50 115.11 116.44 2jxx h GLN 24 Ca 0.00 -0.40 -0.49 0.00 0.77 0.00 0.00 58.65 58.53 2jxx h GLN 24 Cb 0.71 0.15 0.02 0.00 0.21 0.00 0.00 27.48 28.57 2jxx h GLN 24 CO 0.72 1.11 0.13 1.14 -1.93 0.00 0.00 178.83 180.00 2jxx s GLN 25 N -2.63 3.64 -0.10 1.69 1.03 -1.26 -4.87 119.66 117.15 2jxx s GLN 25 Ca -0.07 0.35 -0.14 0.00 0.04 0.00 0.00 55.36 55.53 2jxx s GLN 25 Cb 0.07 -2.36 -0.05 0.00 0.03 0.00 0.00 33.01 30.70 2jxx s GLN 25 CO 0.86 -0.17 0.34 -0.51 -2.54 0.00 0.00 175.29 173.28 2jxx s LEU 26 N -4.42 4.33 -0.55 2.60 1.43 -0.12 -4.90 118.68 117.05 2jxx s LEU 26 Ca 0.49 0.69 -0.20 0.00 -1.03 0.00 0.00 54.13 54.09 2jxx s LEU 26 Cb -0.10 -2.46 0.07 0.00 0.03 0.00 0.00 46.19 43.73 2jxx s LEU 26 CO 0.40 0.18 0.73 -1.10 0.23 0.00 0.00 176.35 176.79 2jxx s GLN 27 N -0.12 3.13 -0.15 1.70 -0.21 -1.26 -1.21 119.66 121.54 2jxx s GLN 27 Ca 0.20 -0.92 -0.03 0.00 0.02 0.00 0.00 55.36 54.63 2jxx s GLN 27 Cb -0.14 -4.15 -0.03 0.00 1.00 0.00 0.00 33.01 29.69 2jxx s GLN 27 CO 0.08 -1.41 -0.04 -0.51 -2.12 0.00 0.00 175.29 171.28 2jxx s LEU 28 N 2.99 3.23 -0.15 2.90 1.43 -0.82 -0.97 118.68 127.28 2jxx s LEU 28 Ca 0.17 -0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 52.97 2jxx s LEU 28 Cb -0.19 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 2jxx s LEU 28 CO 0.11 0.18 0.44 -0.13 0.23 0.00 0.00 176.35 177.18 2jxx s ARG 29 N 0.28 4.28 -0.18 1.70 0.52 -1.02 -1.98 118.95 122.56 2jxx s ARG 29 Ca -0.04 0.35 0.01 0.00 -0.52 0.00 0.00 55.73 55.53 2jxx s ARG 29 Cb -0.14 -3.47 0.01 0.00 0.52 0.00 0.00 34.95 31.88 2jxx s ARG 29 CO 0.03 0.10 -0.18 0.08 0.02 0.00 0.00 175.30 175.35 2jxx s VAL 30 N 0.83 2.25 -0.03 3.52 1.01 0.06 -0.95 120.40 127.09 2jxx s VAL 30 Ca 0.23 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.37 2jxx s VAL 30 Cb -0.15 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 2jxx s VAL 30 CO 0.09 0.53 -0.15 -1.10 0.00 0.00 0.00 175.10 174.46 2jxx s GLN 31 N 1.19 1.45 0.95 2.72 -0.21 -0.33 -1.05 119.66 124.37 2jxx s GLN 31 Ca 0.02 -0.55 -0.14 0.00 0.02 0.00 0.00 55.36 54.71 2jxx s GLN 31 Cb -0.14 -1.33 0.16 0.00 1.00 0.00 0.00 33.01 32.71 2jxx s GLN 31 CO -0.09 0.27 1.19 0.20 -2.12 0.00 0.00 175.29 174.74 2jxx s GLY 32 N -0.12 1.63 0.41 3.09 0.00 -0.67 -0.57 107.32 111.09 2jxx s GLY 32 Ca 0.01 -0.78 0.26 0.00 0.00 0.00 0.00 44.72 44.20 2jxx s GLY 32 CO 0.01 -0.14 1.62 0.07 0.00 0.00 0.00 173.10 174.66 2jxx h LYS 33 N -1.61 0.10 -5.67 2.90 2.10 -1.28 -3.33 116.57 109.78 2jxx h LYS 33 Ca -0.47 -0.01 -0.61 0.00 -2.00 0.00 0.00 60.65 57.56 2jxx h LYS 33 Cb 1.30 -0.02 -0.11 0.00 -0.90 0.00 0.00 32.23 32.50 2jxx h LYS 33 CO 0.53 0.06 0.31 -1.83 -2.00 0.00 0.00 179.45 176.52 2jxx s GLU 34 N -5.40 3.96 0.52 0.07 -1.05 -1.26 -4.97 118.70 110.57 2jxx s GLU 34 Ca -0.08 0.51 0.31 0.00 -0.15 0.00 0.00 54.97 55.56 2jxx s GLU 34 Cb 0.31 -3.72 1.19 0.00 -0.44 0.00 0.00 34.13 31.47 2jxx s GLU 34 CO 0.81 -0.62 1.92 1.57 0.95 0.00 0.00 175.26 179.89 2jxx h LYS 35 N 8.10 0.00 -0.06 -4.83 2.10 -1.96 -2.14 116.57 117.77 2jxx h LYS 35 Ca -0.25 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.36 2jxx h LYS 35 Cb 1.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.43 2jxx h LYS 35 CO 0.85 0.06 -0.12 1.25 -2.00 0.00 0.00 179.45 179.48 2jxx h HIS 36 N 0.00 0.10 -1.02 0.07 2.76 -1.93 -3.36 115.15 111.77 2jxx h HIS 36 Ca -0.00 -0.01 -0.49 0.00 -2.20 0.00 0.00 60.37 57.67 2jxx h HIS 36 Cb 0.60 -0.03 -0.08 0.00 1.55 0.00 0.00 27.41 29.45 2jxx h HIS 36 CO 0.00 0.22 1.23 -1.14 -1.30 0.00 0.00 177.93 176.94 2jxx s GLN 37 N -4.75 3.22 -0.10 5.26 2.00 -0.81 -4.96 119.66 119.52 2jxx s GLN 37 Ca -0.05 -0.79 0.02 0.00 -2.00 0.00 0.00 55.36 52.54 2jxx s GLN 37 Cb 0.16 -5.22 0.01 0.00 0.80 0.00 0.00 33.01 28.77 2jxx s GLN 37 CO 0.71 -2.61 -0.14 0.99 -0.50 0.00 0.00 175.29 173.74 2jxx s THR 38 N 6.79 1.34 -0.05 -0.34 2.01 -1.26 -1.67 115.64 122.45 2jxx s THR 38 Ca 0.54 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 61.98 2jxx s THR 38 Cb -0.03 -1.24 0.03 0.00 0.01 0.00 0.00 72.50 71.27 2jxx s THR 38 CO -0.06 0.41 0.01 -0.22 -0.69 0.00 0.00 174.62 174.07 2jxx s LEU 39 N 0.96 0.69 -0.18 4.42 1.98 -0.22 -4.99 118.68 121.34 2jxx s LEU 39 Ca -0.08 -0.05 -0.01 0.00 -2.89 0.00 0.00 54.13 51.10 2jxx s LEU 39 Cb -0.15 -0.34 -0.00 0.00 0.66 0.00 0.00 46.19 46.36 2jxx s LEU 39 CO -0.00 -0.17 -0.12 -1.83 -1.89 0.00 0.00 176.35 172.33 2jxx s GLU 40 N 1.72 3.24 0.07 1.98 -1.05 -1.26 -0.77 118.70 122.63 2jxx s GLU 40 Ca 0.01 -0.72 0.08 0.00 -0.15 0.00 0.00 54.97 54.18 2jxx s GLU 40 Cb -0.13 -2.75 -0.03 0.00 -0.44 0.00 0.00 34.13 30.79 2jxx s GLU 40 CO -0.04 -0.09 -0.21 0.54 0.95 0.00 0.00 175.26 176.41 2jxx s VAL 41 N 1.11 1.69 -0.50 1.83 0.11 -0.84 -4.98 120.40 118.84 2jxx s VAL 41 Ca 0.00 -1.37 -0.21 0.00 -2.93 0.00 0.00 61.98 57.47 2jxx s VAL 41 Cb -0.14 -1.51 0.04 0.00 -1.53 0.00 0.00 36.38 33.24 2jxx s VAL 41 CO -0.04 0.07 0.73 -0.44 -3.33 0.00 0.00 175.10 172.10 2jxx s SER 42 N -1.54 6.30 -0.16 3.54 0.01 -1.26 -1.94 113.70 118.64 2jxx s SER 42 Ca 0.07 -0.54 -0.06 0.00 1.31 0.00 0.00 55.95 56.73 2jxx s SER 42 Cb -0.09 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 2jxx s SER 42 CO 0.03 -0.96 0.04 -0.22 0.41 0.00 0.00 173.24 172.54 2jxx s LEU 43 N 3.11 3.73 0.20 2.44 2.96 -0.35 -4.96 118.68 125.82 2jxx s LEU 43 Ca 0.23 0.08 -0.30 0.00 -0.22 0.00 0.00 54.13 53.92 2jxx s LEU 43 Cb -0.15 -1.92 -0.08 0.00 0.50 0.00 0.00 46.19 44.53 2jxx s LEU 43 CO 0.17 0.21 1.08 -0.44 -1.32 0.00 0.00 176.35 176.04 2jxx s SER 44 N 0.15 7.31 0.00 3.68 0.01 -1.26 -0.95 113.70 122.64 2jxx s SER 44 Ca 0.04 2.11 0.18 0.00 1.31 0.00 0.00 55.95 59.58 2jxx s SER 44 Cb -0.12 -2.61 0.89 0.00 0.21 0.00 0.00 66.02 64.38 2jxx s SER 44 CO 0.01 -0.16 1.56 -2.11 0.41 0.00 0.00 173.24 172.96 2jxx n ARG 45 N 2.02 0.20 -0.03 12.44 1.85 -1.26 -1.59 116.66 130.30 2jxx n ARG 45 Ca 0.01 0.13 -0.18 0.00 -1.00 0.00 0.00 57.85 56.82 2jxx n ARG 45 Cb 0.46 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.23 2jxx n ARG 45 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2jxx n ASP 46 N -1.34 1.77 -4.72 2.89 2.03 -1.26 -3.48 116.55 112.44 2jxx n ASP 46 Ca 0.08 0.18 -0.42 0.00 0.52 0.00 0.00 54.79 55.15 2jxx n ASP 46 Cb 0.16 -0.55 -0.04 0.00 -0.72 0.00 0.00 41.12 39.98 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 -6.71 7.33 0.91 1.67 0.01 -0.62 -4.94 113.70 111.36 2jxx s SER 47 Ca -0.21 1.85 -0.11 0.00 1.31 0.00 0.00 55.95 58.80 2jxx s SER 47 Cb 0.07 -2.58 0.14 0.00 0.21 0.00 0.00 66.02 63.86 2jxx s SER 47 CO 0.75 -0.23 1.11 -2.16 0.41 0.00 0.00 173.24 173.12 2jxx s PRO 48 N 0.44 1.12 0.56 12.44 0.04 -1.26 -4.35 135.00 143.99 2jxx s PRO 48 Ca 0.51 1.24 0.28 0.00 0.04 0.00 0.00 61.00 63.06 2jxx s PRO 48 Cb -0.25 -1.76 1.47 0.00 0.04 0.00 0.00 34.50 34.00 2jxx s PRO 48 CO 0.30 -2.46 1.97 -0.07 0.04 0.00 0.00 177.00 176.79 2jxx h LEU 49 N -1.73 0.00 -1.38 -3.56 -0.00 -1.11 -2.90 115.31 104.63 2jxx h LEU 49 Ca -0.47 0.00 0.18 0.00 -0.00 0.00 0.00 57.88 57.59 2jxx h LEU 49 Cb 1.27 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.86 2jxx h LEU 49 CO 0.47 0.00 0.58 0.07 -0.00 0.00 0.00 178.44 179.57 2jxx h LYS 50 N 0.00 0.53 -0.06 1.13 5.09 -1.66 0.93 116.57 122.52 2jxx h LYS 50 Ca 0.23 -0.03 -0.17 0.00 0.09 0.00 0.00 60.65 60.77 2jxx h LYS 50 Cb 1.05 -0.12 -0.01 0.00 0.10 0.00 0.00 32.23 33.25 2jxx h LYS 50 CO -0.00 0.35 -0.70 0.00 -2.09 0.00 0.00 179.45 177.01 2jxx h THR 51 N 0.55 1.40 -0.43 0.07 1.03 -1.83 -1.21 112.91 112.49 2jxx h THR 51 Ca 0.47 -2.15 -0.08 0.00 -0.01 0.00 0.00 66.41 64.64 2jxx h THR 51 Cb 0.96 2.12 -0.01 0.00 -1.07 0.00 0.00 68.15 70.14 2jxx h THR 51 CO -0.20 0.64 -0.04 0.25 -0.01 0.00 0.00 175.52 176.15 2jxx h LEU 52 N 0.21 0.77 -0.13 0.00 6.46 -1.38 -1.74 115.31 119.50 2jxx h LEU 52 Ca -0.02 -0.33 0.02 0.00 -0.12 0.00 0.00 57.88 57.42 2jxx h LEU 52 Cb 1.26 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.96 2jxx h LEU 52 CO 0.11 0.92 0.03 0.24 -0.62 0.00 0.00 178.44 179.12 2jxx h MET 53 N 0.61 0.08 -0.16 1.25 2.86 -0.75 -0.78 114.93 118.05 2jxx h MET 53 Ca 0.12 -0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.66 2jxx h MET 53 Cb 0.55 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 2jxx h MET 53 CO 0.03 0.05 -0.28 0.66 1.06 0.00 0.00 176.91 178.43 2jxx h SER 54 N 0.08 0.30 0.22 1.22 4.64 -1.23 -1.98 113.55 116.81 2jxx h SER 54 Ca 0.06 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 2jxx h SER 54 Cb 0.05 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2jxx h SER 54 CO -0.07 0.58 -0.11 -0.74 -0.87 0.00 0.00 176.83 175.62 2jxx h HIS 55 N 0.27 -0.28 0.53 4.77 6.17 -1.01 -2.66 115.15 122.94 2jxx h HIS 55 Ca 0.04 -0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.10 2jxx h HIS 55 Cb 0.64 0.09 -0.02 0.00 2.52 0.00 0.00 27.41 30.65 2jxx h HIS 55 CO 0.01 0.07 -0.51 -0.92 0.71 0.00 0.00 177.93 177.30 2jxx h TYR 56 N -0.67 -1.40 -0.17 5.26 3.20 -1.01 -1.06 116.97 121.12 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 0.47 0.54 -0.03 0.00 1.54 0.00 0.00 36.73 39.25 2jxx h TYR 56 CO 0.03 -0.68 -0.03 1.05 -1.64 0.00 0.00 178.16 176.90 2jxx h GLU 57 N -1.03 0.01 0.00 1.82 4.11 -1.48 -2.45 114.58 115.56 2jxx h GLU 57 Ca -0.07 -0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.30 2jxx h GLU 57 Cb 0.88 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 2jxx h GLU 57 CO -0.05 0.01 -0.29 0.93 0.07 0.00 0.00 179.01 179.68 2jxx h GLU 58 N 0.02 0.00 -0.66 1.06 5.08 -1.47 0.13 114.58 118.73 2jxx h GLU 58 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2jxx h GLU 58 Cb 0.11 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2jxx h GLU 58 CO -0.16 0.29 0.42 0.00 -1.00 0.00 0.00 179.01 178.56 2jxx h ALA 59 N 1.71 0.84 -0.48 3.43 0.00 -0.68 -2.73 119.26 121.35 2jxx h ALA 59 Ca -0.00 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 2jxx h ALA 59 Cb 0.64 -0.27 -0.12 0.00 0.00 0.00 0.00 17.79 18.04 2jxx h ALA 59 CO 0.04 0.30 0.09 -1.33 0.00 0.00 0.00 179.25 178.35 2jxx n MET 60 N -4.60 2.35 -3.84 0.00 2.81 -1.18 -5.01 117.12 107.66 2jxx n MET 60 Ca 0.05 -3.07 -0.32 0.00 -1.81 0.00 0.00 57.70 52.55 2jxx n MET 60 Cb 0.04 -1.92 0.01 0.00 -0.71 0.00 0.00 33.22 30.63 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 -0.89 -1.11 0.71 3.03 0.00 -0.99 -4.91 105.19 101.03 2jxx n GLY 61 Ca 0.36 0.48 0.06 0.00 0.00 0.00 0.00 46.02 46.93 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 -3.63 2.05 -4.55 0.99 7.99 0.43 -4.90 117.00 115.38 2jxx n LEU 62 Ca -0.20 -1.02 -0.32 0.00 -0.01 0.00 0.00 56.01 54.46 2jxx n LEU 62 Cb 0.62 -0.25 -0.04 0.00 -0.11 0.00 0.00 43.42 43.64 2jxx n LEU 62 CO 0.67 0.51 1.76 -0.94 -1.51 0.00 0.00 177.39 177.89 2jxx s SER 63 N -1.02 4.56 0.00 -1.43 1.04 -1.26 -2.34 113.70 113.24 2jxx s SER 63 Ca 0.26 0.64 0.00 0.00 0.48 0.00 0.00 55.95 57.33 2jxx s SER 63 Cb 0.14 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.74 2jxx s SER 63 CO 0.18 -2.94 0.00 0.61 0.98 0.00 0.00 173.24 172.07 2jxx n GLY 64 N 6.13 1.88 2.97 7.32 0.00 -1.26 -5.10 105.19 117.13 2jxx n GLY 64 Ca 0.35 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 2jxx n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jxx s ARG 65 N 0.00 1.33 0.18 1.61 0.52 -0.99 -5.15 118.95 116.46 2jxx s ARG 65 Ca 0.00 -0.29 -0.19 0.00 -0.52 0.00 0.00 55.73 54.72 2jxx s ARG 65 Cb 0.00 -1.16 -0.08 0.00 0.52 0.00 0.00 34.95 34.23 2jxx s ARG 65 CO 0.00 -0.01 0.68 0.21 0.02 0.00 0.00 175.30 176.20 2jxx s LYS 66 N 0.72 4.24 0.16 3.54 2.20 -1.26 -4.90 119.74 124.44 2jxx s LYS 66 Ca -0.13 0.82 0.08 0.00 -0.36 0.00 0.00 55.97 56.38 2jxx s LYS 66 Cb -0.15 -2.98 -0.04 0.00 -1.51 0.00 0.00 37.83 33.15 2jxx s LYS 66 CO 0.02 0.46 -0.09 -0.48 -0.36 0.00 0.00 175.35 174.90 2jxx s LEU 67 N -1.76 3.00 -0.06 5.43 -0.00 -1.26 -4.91 118.68 119.11 2jxx s LEU 67 Ca 0.39 -0.52 -0.22 0.00 -0.00 0.00 0.00 54.13 53.78 2jxx s LEU 67 Cb -0.17 -1.72 -0.04 0.00 -0.00 0.00 0.00 46.19 44.26 2jxx s LEU 67 CO 0.21 0.12 0.65 -0.44 -0.00 0.00 0.00 176.35 176.89 2jxx s SER 68 N -2.66 6.94 -0.17 1.48 0.01 -0.56 -4.82 113.70 113.91 2jxx s SER 68 Ca 0.24 1.12 -0.08 0.00 1.31 0.00 0.00 55.95 58.54 2jxx s SER 68 Cb -0.09 -2.38 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 2jxx s SER 68 CO 0.15 -0.06 0.10 -0.36 0.41 0.00 0.00 173.24 173.48 2jxx s PHE 69 N 0.60 3.39 -0.05 2.43 0.40 -1.26 -0.78 117.98 122.71 2jxx s PHE 69 Ca 0.34 0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.99 2jxx s PHE 69 Cb -0.17 -2.06 0.01 0.00 0.51 0.00 0.00 43.02 41.31 2jxx s PHE 69 CO 0.17 0.37 -0.13 -0.06 0.70 0.00 0.00 175.22 176.27 2jxx s PHE 70 N -0.05 1.42 -0.27 0.36 0.08 -0.50 -1.35 117.98 117.66 2jxx s PHE 70 Ca 0.08 -0.47 0.03 0.00 0.12 0.00 0.00 56.93 56.70 2jxx s PHE 70 Cb -0.12 -1.02 0.07 0.00 -0.57 0.00 0.00 43.02 41.38 2jxx s PHE 70 CO 0.00 -0.22 -0.08 0.12 -0.10 0.00 0.00 175.22 174.95 2jxx s PHE 71 N 0.42 3.24 -1.91 0.36 5.36 -0.77 -0.38 117.98 124.30 2jxx s PHE 71 Ca -0.10 -2.37 0.00 0.00 -0.96 0.00 0.00 56.93 53.51 2jxx s PHE 71 Cb -0.13 -2.04 0.00 0.00 -0.34 0.00 0.00 43.02 40.51 2jxx s PHE 71 CO 0.03 -0.88 0.00 -3.47 -1.46 0.00 0.00 175.22 169.44 2jxx n ASP 72 N 4.43 -5.67 0.00 6.13 2.03 -1.26 -1.38 116.55 120.83 2jxx n ASP 72 Ca -0.11 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.39 2jxx n ASP 72 Cb 0.42 -4.83 0.00 0.00 -0.72 0.00 0.00 41.12 35.99 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 -0.77 1.17 3.69 0.27 0.00 -1.26 -5.05 105.19 103.24 2jxx n GLY 73 Ca -0.23 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 -3.13 4.02 -0.23 2.61 2.01 -0.48 -4.97 115.64 115.47 2jxx s THR 74 Ca 0.00 1.38 -0.29 0.00 0.31 0.00 0.00 61.69 63.09 2jxx s THR 74 Cb 0.00 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 2jxx s THR 74 CO 0.00 0.01 1.68 -0.75 -0.69 0.00 0.00 174.62 174.88 2jxx s LYS 75 N 2.11 3.70 -0.21 4.92 2.47 -1.26 -1.84 119.74 129.63 2jxx s LYS 75 Ca 0.59 1.67 -0.16 0.00 -1.56 0.00 0.00 55.97 56.51 2jxx s LYS 75 Cb -0.28 -4.08 -0.04 0.00 -1.46 0.00 0.00 37.83 31.97 2jxx s LYS 75 CO 0.25 -1.41 0.42 -0.51 0.16 0.00 0.00 175.35 174.26 2jxx s LEU 76 N 5.58 4.14 -0.01 5.43 1.43 -0.46 -4.98 118.68 129.81 2jxx s LEU 76 Ca 0.75 0.53 0.09 0.00 -1.03 0.00 0.00 54.13 54.46 2jxx s LEU 76 Cb -0.25 -2.54 -0.12 0.00 0.03 0.00 0.00 46.19 43.31 2jxx s LEU 76 CO 0.31 -0.11 0.31 -1.20 0.23 0.00 0.00 176.35 175.89 2jxx n SER 77 N 4.61 1.46 0.00 2.29 7.64 -1.26 -4.24 113.62 124.12 2jxx n SER 77 Ca -0.08 -0.41 0.00 0.00 1.01 0.00 0.00 58.87 59.39 2jxx n SER 77 Cb 0.51 1.18 0.00 0.00 -1.01 0.00 0.00 64.21 64.89 2jxx n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jxx n GLY 78 N 1.53 2.70 0.00 0.23 0.00 -1.26 -4.96 105.19 103.43 2jxx n GLY 78 Ca 0.00 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 0.43 -2.88 1.61 1.74 -1.26 -2.03 116.66 114.27 2jxx n ARG 79 Ca 0.00 0.03 -0.34 0.00 -0.77 0.00 0.00 57.85 56.76 2jxx n ARG 79 Cb 0.00 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.87 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 -2.51 4.31 0.12 5.56 1.03 -1.26 -4.89 118.70 121.07 2jxx s GLU 80 Ca 0.27 1.09 0.01 0.00 0.03 0.00 0.00 54.97 56.38 2jxx s GLU 80 Cb 0.18 -2.49 -0.04 0.00 -0.80 0.00 0.00 34.13 30.99 2jxx s GLU 80 CO 0.40 0.14 0.27 -0.51 -1.33 0.00 0.00 175.26 174.23 2jxx s LEU 81 N -2.67 4.33 0.26 1.83 1.43 -1.26 -1.37 118.68 121.24 2jxx s LEU 81 Ca 0.55 0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.88 2jxx s LEU 81 Cb -0.13 -2.96 0.34 0.00 0.03 0.00 0.00 46.19 43.47 2jxx s LEU 81 CO 0.18 0.08 1.73 1.55 0.23 0.00 0.00 176.35 180.12 2jxx h PRO 82 N 2.45 0.68 -0.20 1.29 0.13 -1.77 -1.33 132.00 133.25 2jxx h PRO 82 Ca -0.47 -0.22 -0.07 0.00 -0.87 0.00 0.00 66.00 64.37 2jxx h PRO 82 Cb 1.18 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2jxx h PRO 82 CO 0.71 0.78 -0.18 0.00 -0.23 0.00 0.00 178.00 179.08 2jxx h ALA 83 N 1.25 1.33 -0.40 -0.56 0.00 -1.83 0.13 119.26 119.17 2jxx h ALA 83 Ca 0.11 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2jxx h ALA 83 Cb 0.57 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2jxx h ALA 83 CO 0.04 0.45 0.02 0.22 0.00 0.00 0.00 179.25 179.98 2jxx h ASP 84 N 0.32 0.67 1.13 0.00 3.58 -1.72 -3.17 116.42 117.23 2jxx h ASP 84 Ca 0.06 -0.30 -0.08 0.00 0.42 0.00 0.00 57.03 57.14 2jxx h ASP 84 Cb 0.50 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 2jxx h ASP 84 CO 0.03 0.80 -0.36 -0.07 -2.88 0.00 0.00 179.24 176.77 2jxx h LEU 85 N 0.53 0.00 -1.08 2.28 3.38 -0.99 -3.48 115.31 115.95 2jxx h LEU 85 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2jxx h LEU 85 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2jxx h LEU 85 CO 0.02 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.52 2jxx n GLY 86 N 0.57 0.70 3.87 0.83 0.00 -0.29 -5.10 105.19 105.78 2jxx n GLY 86 Ca 0.01 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.81 2.98 0.10 1.61 -1.94 0.29 -5.02 119.30 115.52 2jxx s MET 87 Ca 0.00 -1.06 -0.11 0.00 -1.71 0.00 0.00 55.69 52.81 2jxx s MET 87 Cb 0.00 -2.62 0.01 0.00 2.01 0.00 0.00 34.83 34.23 2jxx s MET 87 CO 0.00 0.29 0.26 -2.00 -0.01 0.00 0.00 175.02 173.56 2jxx s GLU 88 N -3.94 0.93 -0.05 2.03 2.56 -1.26 -4.70 118.70 114.28 2jxx s GLU 88 Ca 0.36 -0.91 -0.30 0.00 0.00 0.00 0.00 54.97 54.13 2jxx s GLU 88 Cb -0.08 0.38 -0.07 0.00 2.00 0.00 0.00 34.13 36.36 2jxx s GLU 88 CO 0.27 -0.32 1.90 0.45 -0.56 0.00 0.00 175.26 176.99 2jxx s SER 89 N -2.85 6.35 0.00 -1.70 0.15 -1.26 -2.71 113.70 111.67 2jxx s SER 89 Ca 0.05 2.36 0.00 0.00 0.70 0.00 0.00 55.95 59.06 2jxx s SER 89 Cb 0.04 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2jxx s SER 89 CO -0.10 -1.18 0.00 0.61 1.20 0.00 0.00 173.24 173.77 2jxx n GLY 90 N 4.64 0.94 2.30 9.45 0.00 -0.15 -4.85 105.19 117.52 2jxx n GLY 90 Ca 0.21 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 0.04 1.56 -3.85 1.61 -0.08 -1.10 -5.00 116.55 109.74 2jxx n ASP 91 Ca 0.00 -2.00 -0.15 0.00 -1.51 0.00 0.00 54.79 51.14 2jxx n ASP 91 Cb 0.02 -0.16 -0.15 0.00 2.34 0.00 0.00 41.12 43.16 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 1.55 0.10 -2.67 2.96 -1.26 -2.45 118.68 116.91 2jxx s LEU 92 Ca 0.29 -0.02 0.07 0.00 -0.22 0.00 0.00 54.13 54.26 2jxx s LEU 92 Cb -0.02 -0.13 -0.03 0.00 0.50 0.00 0.00 46.19 46.51 2jxx s LEU 92 CO 0.19 -0.05 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.35 2jxx s ILE 93 N 0.52 1.56 0.22 6.68 1.01 -0.12 -4.66 121.20 126.41 2jxx s ILE 93 Ca -0.05 -1.51 0.11 0.00 0.00 0.00 0.00 60.65 59.20 2jxx s ILE 93 Cb -0.07 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.90 2jxx s ILE 93 CO -0.01 -0.12 -0.17 -1.61 0.00 0.00 0.00 174.94 173.03 2jxx s GLU 94 N -1.93 1.78 -0.00 2.79 2.02 0.48 -1.19 118.70 122.64 2jxx s GLU 94 Ca 0.05 -1.52 -0.00 0.00 0.02 0.00 0.00 54.97 53.52 2jxx s GLU 94 Cb -0.10 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.20 2jxx s GLU 94 CO 0.04 0.39 0.01 0.08 0.02 0.00 0.00 175.26 175.79 2jxx s VAL 95 N -1.97 -0.00 -0.34 2.63 1.01 0.27 -1.41 120.40 120.58 2jxx s VAL 95 Ca 0.25 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 2jxx s VAL 95 Cb -0.07 -0.02 0.12 0.00 0.00 0.00 0.00 36.38 36.41 2jxx s VAL 95 CO 0.14 0.01 0.17 0.26 0.00 0.00 0.00 175.10 175.67 2jxx s TRP 96 N 0.07 1.14 0.00 5.22 0.52 0.04 -0.71 118.94 125.22 2jxx s TRP 96 Ca -0.01 -1.63 0.00 0.00 0.02 0.00 0.00 56.10 54.48 2jxx s TRP 96 Cb -0.01 -1.32 0.00 0.00 -1.15 0.00 0.00 33.47 30.99 2jxx s TRP 96 CO -0.00 -0.83 0.48 0.41 0.02 0.00 0.00 176.95 177.03