#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 -3.17 1.09 0.00 -1.26 -5.00 120.64 112.30 2jxx n GLU 21 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.76 2jxx n GLU 21 Cb 0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 31.44 30.76 2jxx n GLU 21 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 2jxx s THR 22 N -1.39 5.05 -0.62 3.84 -1.32 -1.26 -4.99 115.64 114.95 2jxx s THR 22 Ca 0.00 1.08 -0.24 0.00 -1.21 0.00 0.00 61.69 61.32 2jxx s THR 22 Cb 0.00 -3.90 -0.21 0.00 -1.51 0.00 0.00 72.50 66.88 2jxx s THR 22 CO 0.00 0.12 1.85 -1.20 -2.21 0.00 0.00 174.62 173.18 2jxx n SER 23 N 5.05 2.17 0.10 8.08 7.64 -1.26 -4.36 113.62 131.04 2jxx n SER 23 Ca -0.03 -2.63 -0.18 0.00 1.01 0.00 0.00 58.87 57.04 2jxx n SER 23 Cb 0.50 -1.02 -0.14 0.00 -1.01 0.00 0.00 64.21 62.53 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 8.61 0.31 -6.82 1.43 4.15 -1.99 -3.49 115.11 117.32 2jxx h GLN 24 Ca 0.36 -0.54 -0.50 0.00 0.77 0.00 0.00 58.65 58.75 2jxx h GLN 24 Cb 0.70 0.20 0.01 0.00 0.21 0.00 0.00 27.48 28.60 2jxx h GLN 24 CO 1.91 1.23 0.08 1.14 -1.93 0.00 0.00 178.83 181.26 2jxx s GLN 25 N -2.63 3.70 -0.15 1.69 -2.07 -1.26 -4.77 119.66 114.16 2jxx s GLN 25 Ca -0.07 0.33 -0.17 0.00 -1.82 0.00 0.00 55.36 53.63 2jxx s GLN 25 Cb 0.06 -2.42 -0.04 0.00 -1.09 0.00 0.00 33.01 29.52 2jxx s GLN 25 CO 0.88 -0.04 0.45 -0.51 -1.32 0.00 0.00 175.29 174.75 2jxx s LEU 26 N -4.04 4.23 -0.71 2.60 1.43 -0.01 -4.85 118.68 117.34 2jxx s LEU 26 Ca 0.49 0.71 -0.25 0.00 -1.03 0.00 0.00 54.13 54.05 2jxx s LEU 26 Cb -0.10 -2.63 0.05 0.00 0.03 0.00 0.00 46.19 43.54 2jxx s LEU 26 CO 0.35 -0.03 1.13 -1.10 0.23 0.00 0.00 176.35 176.93 2jxx s GLN 27 N 0.87 3.16 -0.14 1.70 -0.21 -1.14 -1.32 119.66 122.58 2jxx s GLN 27 Ca 0.23 -0.54 -0.02 0.00 0.02 0.00 0.00 55.36 55.06 2jxx s GLN 27 Cb -0.15 -4.22 -0.02 0.00 1.00 0.00 0.00 33.01 29.62 2jxx s GLN 27 CO 0.09 -1.99 -0.07 -0.51 -2.12 0.00 0.00 175.29 170.69 2jxx s LEU 28 N 4.93 3.06 -0.38 2.90 1.43 -0.04 -3.23 118.68 127.35 2jxx s LEU 28 Ca 0.29 -0.19 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 2jxx s LEU 28 Cb -0.12 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.39 2jxx s LEU 28 CO 0.12 0.18 0.31 -0.13 0.23 0.00 0.00 176.35 177.07 2jxx s ARG 29 N 0.26 3.20 -0.28 1.70 0.52 -1.16 -1.93 118.95 121.26 2jxx s ARG 29 Ca -0.05 -0.80 -0.11 0.00 -0.52 0.00 0.00 55.73 54.24 2jxx s ARG 29 Cb -0.15 -3.91 -0.05 0.00 0.52 0.00 0.00 34.95 31.37 2jxx s ARG 29 CO 0.04 -0.66 0.18 0.14 0.02 0.00 0.00 175.30 175.03 2jxx s VAL 30 N 1.80 5.23 -0.05 3.52 -7.23 -0.26 -0.91 120.40 122.51 2jxx s VAL 30 Ca 0.07 0.11 0.05 0.00 -1.81 0.00 0.00 61.98 60.41 2jxx s VAL 30 Cb -0.18 -3.50 -0.01 0.00 0.56 0.00 0.00 36.38 33.25 2jxx s VAL 30 CO 0.11 0.24 -0.21 -1.10 -0.31 0.00 0.00 175.10 173.83 2jxx s GLN 31 N 1.75 2.18 0.76 4.82 -0.21 -1.12 -1.39 119.66 126.45 2jxx s GLN 31 Ca 0.07 -0.74 -0.13 0.00 0.02 0.00 0.00 55.36 54.58 2jxx s GLN 31 Cb -0.16 -1.84 0.06 0.00 1.00 0.00 0.00 33.01 32.06 2jxx s GLN 31 CO 0.10 0.29 1.14 0.20 -2.12 0.00 0.00 175.29 174.90 2jxx s GLY 32 N 0.01 1.98 0.66 3.09 0.00 -0.95 -1.06 107.32 111.04 2jxx s GLY 32 Ca -0.05 0.57 0.30 0.00 0.00 0.00 0.00 44.72 45.54 2jxx s GLY 32 CO 0.03 0.94 1.94 0.07 0.00 0.00 0.00 173.10 176.09 2jxx h LYS 33 N -0.76 0.00 -6.33 2.90 2.10 -0.95 -3.34 116.57 110.18 2jxx h LYS 33 Ca -0.45 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 57.63 2jxx h LYS 33 Cb 1.26 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.55 2jxx h LYS 33 CO 0.50 0.00 1.21 -1.21 -2.00 0.00 0.00 179.45 177.95 2jxx s GLU 34 N -4.17 3.35 0.44 0.07 0.41 -1.26 -4.92 118.70 112.61 2jxx s GLU 34 Ca -0.04 1.17 0.11 0.00 -0.41 0.00 0.00 54.97 55.81 2jxx s GLU 34 Cb 0.10 -4.16 0.98 0.00 -1.78 0.00 0.00 34.13 29.27 2jxx s GLU 34 CO 0.31 -1.84 2.05 1.57 -0.49 0.00 0.00 175.26 176.87 2jxx h LYS 35 N 12.30 0.40 0.00 1.61 2.10 -1.98 -1.20 116.57 129.81 2jxx h LYS 35 Ca -0.31 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 2jxx h LYS 35 Cb 1.15 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 2jxx h LYS 35 CO 1.07 0.27 -0.28 -2.39 -2.00 0.00 0.00 179.45 176.11 2jxx n HIS 36 N -4.48 0.25 -2.43 0.07 1.44 -1.26 -4.69 115.22 104.12 2jxx n HIS 36 Ca 0.04 0.07 -0.42 0.00 -2.01 0.00 0.00 57.72 55.41 2jxx n HIS 36 Cb 0.16 -0.52 -0.03 0.00 0.12 0.00 0.00 29.99 29.73 2jxx n HIS 36 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 2jxx s GLN 37 N -3.05 3.30 -0.10 -1.40 2.00 -0.46 -5.00 119.66 114.96 2jxx s GLN 37 Ca 0.11 0.36 0.03 0.00 -2.00 0.00 0.00 55.36 53.86 2jxx s GLN 37 Cb 0.16 -4.12 0.00 0.00 0.80 0.00 0.00 33.01 29.86 2jxx s GLN 37 CO 0.63 -1.94 -0.21 0.99 -0.50 0.00 0.00 175.29 174.26 2jxx s THR 38 N 5.94 1.88 -0.11 -0.34 2.01 -1.26 -2.25 115.64 121.51 2jxx s THR 38 Ca 0.49 -0.90 -0.00 0.00 0.31 0.00 0.00 61.69 61.59 2jxx s THR 38 Cb -0.10 -1.64 0.02 0.00 0.01 0.00 0.00 72.50 70.79 2jxx s THR 38 CO 0.24 0.52 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.39 2jxx s LEU 39 N 0.53 1.23 -0.17 4.42 1.98 -0.48 -5.02 118.68 121.16 2jxx s LEU 39 Ca -0.15 -0.30 -0.02 0.00 -2.89 0.00 0.00 54.13 50.77 2jxx s LEU 39 Cb -0.17 -0.84 -0.01 0.00 0.66 0.00 0.00 46.19 45.83 2jxx s LEU 39 CO 0.05 -0.10 -0.09 -1.83 -1.89 0.00 0.00 176.35 172.49 2jxx s GLU 40 N 1.60 3.38 0.05 1.98 -1.05 -1.26 -1.10 118.70 122.30 2jxx s GLU 40 Ca 0.03 -0.66 0.04 0.00 -0.15 0.00 0.00 54.97 54.23 2jxx s GLU 40 Cb -0.13 -2.80 -0.02 0.00 -0.44 0.00 0.00 34.13 30.74 2jxx s GLU 40 CO -0.07 0.02 -0.12 0.54 0.95 0.00 0.00 175.26 176.58 2jxx s VAL 41 N 0.86 0.91 -0.45 1.83 0.11 -0.81 -5.01 120.40 117.84 2jxx s VAL 41 Ca -0.03 -1.11 -0.13 0.00 -2.93 0.00 0.00 61.98 57.79 2jxx s VAL 41 Cb -0.15 -0.88 0.07 0.00 -1.53 0.00 0.00 36.38 33.89 2jxx s VAL 41 CO 0.00 -0.19 0.35 -0.94 -3.33 0.00 0.00 175.10 170.99 2jxx s SER 42 N -1.46 5.97 -0.03 3.54 1.04 -1.26 -0.86 113.70 120.65 2jxx s SER 42 Ca -0.03 -1.37 -0.17 0.00 0.48 0.00 0.00 55.95 54.85 2jxx s SER 42 Cb -0.09 -2.12 -0.05 0.00 0.10 0.00 0.00 66.02 63.86 2jxx s SER 42 CO 0.01 -0.60 0.48 -0.22 0.98 0.00 0.00 173.24 173.89 2jxx s LEU 43 N 1.57 4.41 0.21 2.42 2.96 -0.43 -4.84 118.68 124.97 2jxx s LEU 43 Ca 0.04 0.99 -0.30 0.00 -0.22 0.00 0.00 54.13 54.64 2jxx s LEU 43 Cb -0.24 -2.72 -0.08 0.00 0.50 0.00 0.00 46.19 43.65 2jxx s LEU 43 CO 0.05 0.17 1.13 -0.44 -1.32 0.00 0.00 176.35 175.95 2jxx s SER 44 N -0.37 7.20 0.31 3.68 0.01 -1.26 -0.83 113.70 122.44 2jxx s SER 44 Ca 0.26 2.19 0.26 0.00 1.31 0.00 0.00 55.95 59.97 2jxx s SER 44 Cb -0.17 -2.61 1.02 0.00 0.21 0.00 0.00 66.02 64.47 2jxx s SER 44 CO 0.14 -0.25 1.77 0.08 0.41 0.00 0.00 173.24 175.38 2jxx h ARG 45 N 4.80 0.00 0.06 12.44 0.11 -1.94 -2.06 114.38 127.79 2jxx h ARG 45 Ca -0.45 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.28 2jxx h ARG 45 Cb 1.21 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.25 2jxx h ARG 45 CO 0.72 0.00 -2.04 -3.47 0.10 0.00 0.00 179.97 175.28 2jxx n ASP 46 N -2.43 1.62 -4.77 0.08 2.03 -1.26 -3.82 116.55 108.01 2jxx n ASP 46 Ca 0.02 0.19 -0.39 0.00 0.52 0.00 0.00 54.79 55.13 2jxx n ASP 46 Cb 0.28 -0.44 -0.01 0.00 -0.72 0.00 0.00 41.12 40.23 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 -6.60 6.34 0.81 1.67 0.01 -0.78 -4.91 113.70 110.25 2jxx s SER 47 Ca -0.19 2.59 -0.11 0.00 1.31 0.00 0.00 55.95 59.55 2jxx s SER 47 Cb 0.07 -2.63 0.08 0.00 0.21 0.00 0.00 66.02 63.75 2jxx s SER 47 CO 0.76 -0.82 1.09 -2.16 0.41 0.00 0.00 173.24 172.52 2jxx s PRO 48 N -2.26 1.97 0.58 12.44 0.05 -1.26 -4.33 135.00 142.20 2jxx s PRO 48 Ca 0.57 0.91 0.28 0.00 0.05 0.00 0.00 61.00 62.81 2jxx s PRO 48 Cb -0.36 -1.88 1.60 0.00 0.05 0.00 0.00 34.50 33.90 2jxx s PRO 48 CO 0.47 -1.77 2.06 -0.07 0.05 0.00 0.00 177.00 177.74 2jxx h LEU 49 N -1.21 0.00 -1.25 -3.56 -0.00 -1.47 -2.90 115.31 104.93 2jxx h LEU 49 Ca -0.46 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.46 2jxx h LEU 49 Cb 1.25 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.87 2jxx h LEU 49 CO 0.55 0.00 0.53 0.07 -0.00 0.00 0.00 178.44 179.58 2jxx h LYS 50 N 0.00 0.92 -0.03 1.13 2.10 -1.82 0.57 116.57 119.44 2jxx h LYS 50 Ca 0.11 -0.06 -0.12 0.00 -2.00 0.00 0.00 60.65 58.59 2jxx h LYS 50 Cb 0.61 -0.21 -0.01 0.00 -0.90 0.00 0.00 32.23 31.72 2jxx h LYS 50 CO -0.00 0.61 -0.52 0.00 -2.00 0.00 0.00 179.45 177.53 2jxx h THR 51 N 0.94 1.37 -0.41 0.07 1.03 -1.86 -0.47 112.91 113.59 2jxx h THR 51 Ca 0.33 -1.80 -0.14 0.00 -0.01 0.00 0.00 66.41 64.79 2jxx h THR 51 Cb 0.11 1.94 -0.01 0.00 -1.07 0.00 0.00 68.15 69.12 2jxx h THR 51 CO -0.10 0.52 -0.28 0.25 -0.01 0.00 0.00 175.52 175.90 2jxx h LEU 52 N 0.06 0.95 -0.53 0.00 6.46 -1.46 -1.29 115.31 119.49 2jxx h LEU 52 Ca -0.00 -0.43 0.03 0.00 -0.12 0.00 0.00 57.88 57.36 2jxx h LEU 52 Cb 0.95 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 40.57 2jxx h LEU 52 CO 0.07 1.18 0.31 0.24 -0.62 0.00 0.00 178.44 179.62 2jxx h MET 53 N 0.73 0.60 -0.36 1.25 2.86 -0.63 -1.29 114.93 118.09 2jxx h MET 53 Ca 0.08 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 2jxx h MET 53 Cb 0.86 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 2jxx h MET 53 CO 0.08 0.39 -0.13 0.77 1.06 0.00 0.00 176.91 179.08 2jxx h SER 54 N 0.61 0.63 -0.11 1.22 0.02 -1.04 -2.48 113.55 112.41 2jxx h SER 54 Ca 0.22 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 2jxx h SER 54 Cb 0.05 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 2jxx h SER 54 CO -0.11 0.79 -0.07 -0.74 -1.14 0.00 0.00 176.83 175.56 2jxx h HIS 55 N 0.59 0.30 0.38 3.45 6.17 -0.83 -2.25 115.15 122.96 2jxx h HIS 55 Ca 0.10 -0.08 -0.00 0.00 0.71 0.00 0.00 60.37 61.10 2jxx h HIS 55 Cb 0.57 -0.07 -0.03 0.00 2.52 0.00 0.00 27.41 30.40 2jxx h HIS 55 CO 0.02 0.62 -0.48 -0.92 0.71 0.00 0.00 177.93 177.89 2jxx h TYR 56 N -0.12 -1.32 -0.29 5.26 3.20 -1.18 -1.71 116.97 120.81 2jxx h TYR 56 Ca 0.02 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2jxx h TYR 56 Cb 0.56 0.53 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 2jxx h TYR 56 CO 0.07 -0.62 0.13 1.05 -1.64 0.00 0.00 178.16 177.16 2jxx h GLU 57 N -0.89 0.42 -0.30 1.82 4.11 -1.51 -2.93 114.58 115.29 2jxx h GLU 57 Ca -0.04 -0.06 -0.07 0.00 0.07 0.00 0.00 59.36 59.26 2jxx h GLU 57 Cb 0.81 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2jxx h GLU 57 CO -0.12 0.41 -0.12 0.93 0.07 0.00 0.00 179.01 180.18 2jxx h GLU 58 N 0.33 0.50 -0.44 1.06 4.39 -1.45 0.31 114.58 119.28 2jxx h GLU 58 Ca 0.10 -0.14 0.06 0.00 0.34 0.00 0.00 59.36 59.72 2jxx h GLU 58 Cb 0.13 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.67 2jxx h GLU 58 CO -0.01 0.62 0.13 0.00 -1.16 0.00 0.00 179.01 178.59 2jxx h ALA 59 N 1.41 0.52 -0.36 3.43 0.00 -1.12 -3.08 119.26 120.06 2jxx h ALA 59 Ca 0.09 0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 2jxx h ALA 59 Cb 0.49 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.24 2jxx h ALA 59 CO 0.03 -0.26 -0.06 -1.33 0.00 0.00 0.00 179.25 177.62 2jxx n MET 60 N -5.04 1.91 -3.81 0.00 2.81 -1.16 -5.02 117.12 106.81 2jxx n MET 60 Ca 0.04 -3.16 -0.28 0.00 -1.81 0.00 0.00 57.70 52.49 2jxx n MET 60 Cb 0.18 -1.82 0.01 0.00 -0.71 0.00 0.00 33.22 30.88 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 -1.09 -1.21 2.37 3.03 0.00 -0.71 -4.89 105.19 102.69 2jxx n GLY 61 Ca 0.33 0.54 -0.25 0.00 0.00 0.00 0.00 46.02 46.64 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 -3.11 6.48 -4.68 0.99 7.99 0.01 -4.95 117.00 119.74 2jxx n LEU 62 Ca -0.26 -3.91 -0.42 0.00 -0.01 0.00 0.00 56.01 51.41 2jxx n LEU 62 Cb 0.66 -1.20 -0.03 0.00 -0.11 0.00 0.00 43.42 42.74 2jxx n LEU 62 CO 0.65 1.63 1.12 -0.94 -1.51 0.00 0.00 177.39 178.34 2jxx s SER 63 N 0.29 6.86 0.00 -1.43 1.04 -1.26 -3.82 113.70 115.38 2jxx s SER 63 Ca 0.54 2.06 0.00 0.00 0.48 0.00 0.00 55.95 59.03 2jxx s SER 63 Cb 0.36 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.92 2jxx s SER 63 CO -0.17 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 173.93 2jxx n GLY 64 N 3.65 1.97 3.56 7.32 0.00 -1.26 -4.89 105.19 115.54 2jxx n GLY 64 Ca 0.13 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 2.42 0.02 1.61 1.81 -1.25 -4.96 118.95 118.59 2jxx s ARG 65 Ca 0.00 -0.14 -0.01 0.00 -1.72 0.00 0.00 55.73 53.87 2jxx s ARG 65 Cb 0.00 -5.00 -0.04 0.00 -0.45 0.00 0.00 34.95 29.47 2jxx s ARG 65 CO 0.00 -3.51 0.16 0.21 -0.68 0.00 0.00 175.30 171.48 2jxx s LYS 66 N 7.29 3.29 0.31 3.54 2.47 -1.26 -4.72 119.74 130.66 2jxx s LYS 66 Ca 0.73 -0.43 0.04 0.00 -1.56 0.00 0.00 55.97 54.75 2jxx s LYS 66 Cb -0.08 -2.99 -0.06 0.00 -1.46 0.00 0.00 37.83 33.24 2jxx s LYS 66 CO 0.01 0.64 0.05 -0.48 0.16 0.00 0.00 175.35 175.73 2jxx s LEU 67 N -2.09 2.14 0.36 5.43 -0.00 -1.26 -4.83 118.68 118.43 2jxx s LEU 67 Ca 0.28 -1.35 0.07 0.00 -0.00 0.00 0.00 54.13 53.14 2jxx s LEU 67 Cb -0.13 -0.34 -0.02 0.00 -0.00 0.00 0.00 46.19 45.70 2jxx s LEU 67 CO 0.20 -0.59 0.36 -0.44 -0.00 0.00 0.00 176.35 175.88 2jxx s SER 68 N -3.45 5.40 -0.04 1.48 0.01 -0.41 -4.92 113.70 111.77 2jxx s SER 68 Ca 0.35 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 57.14 2jxx s SER 68 Cb 0.08 -0.92 0.02 0.00 0.21 0.00 0.00 66.02 65.41 2jxx s SER 68 CO 0.14 -0.45 -0.02 -0.36 0.41 0.00 0.00 173.24 172.96 2jxx s PHE 69 N -2.31 0.53 -0.05 2.43 0.40 -1.26 -1.76 117.98 115.95 2jxx s PHE 69 Ca 0.44 -0.10 0.04 0.00 -0.60 0.00 0.00 56.93 56.71 2jxx s PHE 69 Cb -0.06 -0.54 0.00 0.00 0.51 0.00 0.00 43.02 42.93 2jxx s PHE 69 CO 0.28 -0.16 -0.16 -0.06 0.70 0.00 0.00 175.22 175.82 2jxx s PHE 70 N 0.97 1.65 -0.15 0.36 0.40 -1.07 -2.00 117.98 118.13 2jxx s PHE 70 Ca -0.10 -0.51 -0.00 0.00 -0.60 0.00 0.00 56.93 55.71 2jxx s PHE 70 Cb -0.14 -1.13 0.04 0.00 0.51 0.00 0.00 43.02 42.30 2jxx s PHE 70 CO -0.01 -0.20 -0.06 0.12 0.70 0.00 0.00 175.22 175.77 2jxx s PHE 71 N 0.20 1.65 -1.70 0.36 5.36 -0.87 -1.26 117.98 121.71 2jxx s PHE 71 Ca -0.07 -0.99 -0.00 0.00 -0.96 0.00 0.00 56.93 54.90 2jxx s PHE 71 Cb -0.13 -1.30 0.00 0.00 -0.34 0.00 0.00 43.02 41.26 2jxx s PHE 71 CO 0.03 -0.59 0.05 -3.47 -1.46 0.00 0.00 175.22 169.78 2jxx n ASP 72 N 4.89 -5.75 0.00 6.13 2.03 -1.26 -1.08 116.55 121.51 2jxx n ASP 72 Ca -0.12 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.17 2jxx n ASP 72 Cb 0.48 -4.78 0.00 0.00 -0.72 0.00 0.00 41.12 36.11 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 -1.04 3.16 3.66 0.27 0.00 -1.26 -5.01 105.19 104.97 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 -1.79 3.44 -0.25 2.61 2.01 -0.24 -4.96 115.64 116.46 2jxx s THR 74 Ca 0.00 0.54 -0.29 0.00 0.31 0.00 0.00 61.69 62.25 2jxx s THR 74 Cb 0.00 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.14 2jxx s THR 74 CO 0.00 -0.05 1.68 -0.75 -0.69 0.00 0.00 174.62 174.82 2jxx s LYS 75 N 4.10 3.67 -0.25 4.92 2.47 -1.26 -2.05 119.74 131.33 2jxx s LYS 75 Ca 0.77 1.62 -0.27 0.00 -1.56 0.00 0.00 55.97 56.53 2jxx s LYS 75 Cb -0.36 -4.09 0.00 0.00 -1.46 0.00 0.00 37.83 31.93 2jxx s LYS 75 CO 0.32 -1.45 0.93 -0.51 0.16 0.00 0.00 175.35 174.81 2jxx s LEU 76 N 5.69 4.07 0.02 5.43 1.43 -0.85 -4.94 118.68 129.53 2jxx s LEU 76 Ca 0.74 1.15 0.08 0.00 -1.03 0.00 0.00 54.13 55.07 2jxx s LEU 76 Cb -0.25 -3.35 -0.23 0.00 0.03 0.00 0.00 46.19 42.39 2jxx s LEU 76 CO 0.31 -0.62 0.89 -1.28 0.23 0.00 0.00 176.35 175.88 2jxx h SER 77 N 7.66 0.06 0.00 2.29 0.87 -1.94 -3.43 113.55 119.07 2jxx h SER 77 Ca -0.21 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2jxx h SER 77 Cb 1.08 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 2jxx h SER 77 CO 0.93 1.08 0.00 0.61 -0.53 0.00 0.00 176.83 178.92 2jxx n GLY 78 N 1.51 1.25 0.01 5.77 0.00 -1.26 -4.96 105.19 107.51 2jxx n GLY 78 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.03 2.40 -4.32 1.61 1.74 -1.26 -4.21 116.66 111.59 2jxx n ARG 79 Ca 0.00 -1.37 -0.30 0.00 -0.77 0.00 0.00 57.85 55.41 2jxx n ARG 79 Cb 0.00 -0.93 -0.10 0.00 -1.02 0.00 0.00 32.46 30.41 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 -0.90 2.26 0.19 5.56 1.03 -1.26 -5.03 118.70 120.55 2jxx s GLU 80 Ca 0.01 -0.93 0.04 0.00 0.03 0.00 0.00 54.97 54.12 2jxx s GLU 80 Cb 0.01 -2.36 -0.03 0.00 -0.80 0.00 0.00 34.13 30.95 2jxx s GLU 80 CO 0.00 0.54 0.25 -0.51 -1.33 0.00 0.00 175.26 174.21 2jxx s LEU 81 N -1.95 4.13 0.55 1.83 1.43 -1.26 -1.28 118.68 122.14 2jxx s LEU 81 Ca 0.20 0.02 0.33 0.00 -1.03 0.00 0.00 54.13 53.65 2jxx s LEU 81 Cb -0.11 -2.70 1.52 0.00 0.03 0.00 0.00 46.19 44.93 2jxx s LEU 81 CO 0.12 0.02 2.05 1.55 0.23 0.00 0.00 176.35 180.32 2jxx h PRO 82 N 1.92 0.00 -0.33 1.29 0.13 -1.77 -1.03 132.00 132.21 2jxx h PRO 82 Ca -0.49 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.52 2jxx h PRO 82 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2jxx h PRO 82 CO 0.65 0.05 -0.25 0.00 -0.23 0.00 0.00 178.00 178.22 2jxx h ALA 83 N 1.95 0.48 -0.48 -0.56 0.00 -1.88 0.57 119.26 119.33 2jxx h ALA 83 Ca -0.00 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 2jxx h ALA 83 Cb 0.42 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2jxx h ALA 83 CO 0.01 0.47 0.01 0.22 0.00 0.00 0.00 179.25 179.96 2jxx h ASP 84 N 0.53 0.82 1.10 0.00 3.58 -1.65 -3.00 116.42 117.80 2jxx h ASP 84 Ca 0.06 -0.30 -0.07 0.00 0.42 0.00 0.00 57.03 57.15 2jxx h ASP 84 Cb 0.81 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 2jxx h ASP 84 CO 0.07 0.92 -0.32 -0.07 -2.88 0.00 0.00 179.24 176.96 2jxx h LEU 85 N 0.69 0.00 -2.89 2.28 3.38 -1.29 -3.49 115.31 114.00 2jxx h LEU 85 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2jxx h LEU 85 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2jxx h LEU 85 CO 0.02 0.32 -0.02 0.61 0.09 0.00 0.00 178.44 179.46 2jxx n GLY 86 N 0.48 -0.34 3.51 0.83 0.00 -0.77 -5.09 105.19 103.81 2jxx n GLY 86 Ca 0.01 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.03 1.80 0.32 1.61 0.00 0.12 -5.04 119.30 115.08 2jxx s MET 87 Ca 0.01 -1.71 0.07 0.00 0.00 0.00 0.00 55.69 54.06 2jxx s MET 87 Cb -0.00 -1.84 -0.06 0.00 0.00 0.00 0.00 34.83 32.92 2jxx s MET 87 CO 0.14 0.33 -0.04 -2.00 0.00 0.00 0.00 175.02 173.44 2jxx s GLU 88 N -3.55 1.67 0.00 4.11 2.12 -1.26 -4.83 118.70 116.97 2jxx s GLU 88 Ca 0.30 -1.88 0.00 0.00 0.36 0.00 0.00 54.97 53.76 2jxx s GLU 88 Cb -0.05 -1.30 0.00 0.00 0.26 0.00 0.00 34.13 33.04 2jxx s GLU 88 CO 0.16 0.02 0.61 0.45 -0.54 0.00 0.00 175.26 175.96 2jxx n SER 89 N -0.69 0.43 -2.82 -1.70 2.88 -1.26 -3.12 113.62 107.34 2jxx n SER 89 Ca -0.05 -1.66 -0.11 0.00 -1.33 0.00 0.00 58.87 55.72 2jxx n SER 89 Cb 0.64 -0.22 0.06 0.00 -0.75 0.00 0.00 64.21 63.94 2jxx n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jxx n GLY 90 N 0.20 1.65 2.01 0.46 0.00 -1.20 -2.89 105.19 105.43 2jxx n GLY 90 Ca 0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 1.40 -3.51 1.61 -0.08 -1.18 -5.02 116.55 109.81 2jxx n ASP 91 Ca 0.09 -1.87 -0.21 0.00 -1.51 0.00 0.00 54.79 51.29 2jxx n ASP 91 Cb 0.75 -0.15 -0.13 0.00 2.34 0.00 0.00 41.12 43.93 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 0.04 0.17 -2.67 2.96 -1.26 -2.97 118.68 114.94 2jxx s LEU 92 Ca 0.26 -0.50 -0.06 0.00 -0.22 0.00 0.00 54.13 53.61 2jxx s LEU 92 Cb -0.02 0.19 -0.06 0.00 0.50 0.00 0.00 46.19 46.80 2jxx s LEU 92 CO 0.16 -0.35 0.43 -0.63 -1.32 0.00 0.00 176.35 174.64 2jxx s ILE 93 N 2.27 5.10 0.22 6.68 1.01 -0.09 -4.85 121.20 131.54 2jxx s ILE 93 Ca 0.07 0.15 0.06 0.00 0.00 0.00 0.00 60.65 60.93 2jxx s ILE 93 Cb -0.16 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 2jxx s ILE 93 CO -0.17 0.00 0.18 -1.61 0.00 0.00 0.00 174.94 173.34 2jxx s GLU 94 N -2.72 2.93 -0.05 2.79 2.02 -0.39 -2.78 118.70 120.51 2jxx s GLU 94 Ca 0.43 -0.98 -0.01 0.00 0.02 0.00 0.00 54.97 54.43 2jxx s GLU 94 Cb -0.12 -2.60 0.03 0.00 0.10 0.00 0.00 34.13 31.54 2jxx s GLU 94 CO 0.24 0.43 0.01 0.08 0.02 0.00 0.00 175.26 176.03 2jxx s VAL 95 N -2.00 0.25 -0.34 2.63 1.01 -0.22 -2.60 120.40 119.13 2jxx s VAL 95 Ca 0.32 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.45 2jxx s VAL 95 Cb -0.09 -0.39 0.10 0.00 0.00 0.00 0.00 36.38 36.01 2jxx s VAL 95 CO 0.25 0.20 0.08 0.26 0.00 0.00 0.00 175.10 175.89 2jxx s TRP 96 N 1.56 2.91 0.00 5.22 0.52 -0.72 -0.23 118.94 128.19 2jxx s TRP 96 Ca -0.02 -2.52 0.00 0.00 0.02 0.00 0.00 56.10 53.58 2jxx s TRP 96 Cb -0.13 -2.43 0.00 0.00 -1.15 0.00 0.00 33.47 29.76 2jxx s TRP 96 CO -0.03 -0.91 0.00 0.41 0.02 0.00 0.00 176.95 176.44