#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 0.62 -3.36 -0.78 2.13 -1.26 -4.64 120.64 113.35 2jxx n GLU 21 Ca 0.00 0.22 -0.44 0.00 0.66 0.00 0.00 57.16 57.60 2jxx n GLU 21 Cb 0.00 -1.51 -0.01 0.00 0.27 0.00 0.00 31.44 30.19 2jxx n GLU 21 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2jxx n THR 22 N -3.83 4.46 -3.08 6.31 5.66 -1.26 -4.99 114.28 117.55 2jxx n THR 22 Ca -0.50 -5.39 -0.39 0.00 -3.05 0.00 0.00 64.05 54.72 2jxx n THR 22 Cb 0.93 -2.55 -0.05 0.00 -1.55 0.00 0.00 70.33 67.11 2jxx n THR 22 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2jxx s SER 23 N 1.03 6.97 0.11 1.09 0.01 -1.26 -4.98 113.70 116.66 2jxx s SER 23 Ca 0.31 1.16 -0.21 0.00 1.31 0.00 0.00 55.95 58.52 2jxx s SER 23 Cb -0.09 -2.40 -0.09 0.00 0.21 0.00 0.00 66.02 63.65 2jxx s SER 23 CO -0.08 -0.08 1.76 -0.61 0.41 0.00 0.00 173.24 174.65 2jxx h GLN 24 N 6.61 0.18 -5.82 12.44 4.15 -1.97 -3.43 115.11 127.27 2jxx h GLN 24 Ca -0.41 -0.01 -0.54 0.00 0.77 0.00 0.00 58.65 58.46 2jxx h GLN 24 Cb 1.20 -0.04 -0.26 0.00 0.21 0.00 0.00 27.48 28.59 2jxx h GLN 24 CO 0.75 0.12 -0.83 1.14 -1.93 0.00 0.00 178.83 178.08 2jxx s GLN 25 N -6.18 1.24 0.12 1.69 1.03 -1.26 -1.75 119.66 114.55 2jxx s GLN 25 Ca -0.13 -0.87 0.09 0.00 0.04 0.00 0.00 55.36 54.49 2jxx s GLN 25 Cb 0.08 -1.32 -0.04 0.00 0.03 0.00 0.00 33.01 31.76 2jxx s GLN 25 CO 0.68 0.33 -0.17 -0.51 -2.54 0.00 0.00 175.29 173.08 2jxx s LEU 26 N -1.14 2.73 -0.50 2.60 1.02 -0.13 -4.92 118.68 118.35 2jxx s LEU 26 Ca 0.06 -0.56 -0.16 0.00 0.02 0.00 0.00 54.13 53.49 2jxx s LEU 26 Cb -0.08 -1.56 0.09 0.00 0.02 0.00 0.00 46.19 44.66 2jxx s LEU 26 CO 0.02 0.17 0.44 -1.10 0.02 0.00 0.00 176.35 175.90 2jxx s GLN 27 N -2.21 2.99 -0.22 1.70 1.11 -1.26 -1.22 119.66 120.55 2jxx s GLN 27 Ca 0.19 -1.47 -0.10 0.00 0.01 0.00 0.00 55.36 53.99 2jxx s GLN 27 Cb -0.10 -4.19 -0.05 0.00 -1.01 0.00 0.00 33.01 27.66 2jxx s GLN 27 CO 0.11 -1.14 0.13 -0.51 0.01 0.00 0.00 175.29 173.88 2jxx s LEU 28 N 1.66 4.03 -0.53 2.90 2.01 -0.58 -1.14 118.68 127.04 2jxx s LEU 28 Ca 0.04 0.11 -0.21 0.00 0.01 0.00 0.00 54.13 54.09 2jxx s LEU 28 Cb -0.26 -2.06 0.05 0.00 0.01 0.00 0.00 46.19 43.93 2jxx s LEU 28 CO 0.05 0.11 0.74 -0.13 1.01 0.00 0.00 176.35 178.14 2jxx s ARG 29 N 0.78 3.19 -0.25 1.70 0.52 -1.07 -2.10 118.95 121.71 2jxx s ARG 29 Ca 0.07 -0.69 -0.11 0.00 -0.52 0.00 0.00 55.73 54.47 2jxx s ARG 29 Cb -0.13 -4.09 -0.05 0.00 0.52 0.00 0.00 34.95 31.20 2jxx s ARG 29 CO 0.02 -1.33 0.20 0.08 0.02 0.00 0.00 175.30 174.28 2jxx s VAL 30 N 3.10 5.33 -0.02 3.52 1.01 0.43 -1.23 120.40 132.54 2jxx s VAL 30 Ca 0.20 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.46 2jxx s VAL 30 Cb -0.17 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 2jxx s VAL 30 CO 0.14 0.31 -0.12 -1.10 0.00 0.00 0.00 175.10 174.33 2jxx s GLN 31 N 1.26 1.06 0.98 2.72 -0.21 -0.52 -1.23 119.66 123.72 2jxx s GLN 31 Ca 0.09 -0.41 -0.15 0.00 0.02 0.00 0.00 55.36 54.91 2jxx s GLN 31 Cb -0.14 -1.00 0.18 0.00 1.00 0.00 0.00 33.01 33.06 2jxx s GLN 31 CO 0.06 0.21 1.19 0.20 -2.12 0.00 0.00 175.29 174.84 2jxx s GLY 32 N -0.10 1.64 0.48 3.09 0.00 -0.76 -0.45 107.32 111.22 2jxx s GLY 32 Ca 0.01 -0.83 0.32 0.00 0.00 0.00 0.00 44.72 44.22 2jxx s GLY 32 CO 0.00 -0.14 1.71 0.50 0.00 0.00 0.00 173.10 175.17 2jxx h LYS 33 N -1.74 0.12 -6.62 2.90 1.57 -1.51 -3.33 116.57 107.96 2jxx h LYS 33 Ca -0.47 -0.01 -0.56 0.00 -1.87 0.00 0.00 60.65 57.74 2jxx h LYS 33 Cb 1.29 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.51 2jxx h LYS 33 CO 0.49 0.08 0.99 -1.21 -0.57 0.00 0.00 179.45 179.23 2jxx s GLU 34 N -5.17 3.67 0.44 3.15 8.01 -1.26 -4.93 118.70 122.61 2jxx s GLU 34 Ca -0.07 0.75 0.23 0.00 0.01 0.00 0.00 54.97 55.89 2jxx s GLU 34 Cb 0.26 -3.95 0.98 0.00 -4.31 0.00 0.00 34.13 27.10 2jxx s GLU 34 CO 0.82 -1.45 1.86 1.57 0.01 0.00 0.00 175.26 178.08 2jxx h LYS 35 N 9.83 0.00 -0.00 1.61 2.10 -1.96 -1.59 116.57 126.55 2jxx h LYS 35 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 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 1.11 0.25 -0.28 0.72 -2.00 0.00 0.00 179.45 179.24 2jxx n HIS 36 N -3.54 0.00 -2.43 0.07 8.25 -1.26 -4.49 115.22 111.82 2jxx n HIS 36 Ca -0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 2jxx n HIS 36 Cb 0.40 -0.35 -0.03 0.00 1.12 0.00 0.00 29.99 31.13 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 -2.99 3.38 -0.07 -0.41 0.74 -0.60 -4.95 119.66 114.76 2jxx s GLN 37 Ca 0.13 -1.10 0.04 0.00 0.05 0.00 0.00 55.36 54.48 2jxx s GLN 37 Cb 0.18 -5.32 -0.00 0.00 1.10 0.00 0.00 33.01 28.97 2jxx s GLN 37 CO 0.62 -2.57 -0.21 0.99 -0.55 0.00 0.00 175.29 173.58 2jxx s THR 38 N 6.26 1.78 0.10 -0.34 2.01 -1.26 -1.83 115.64 122.36 2jxx s THR 38 Ca 0.54 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.70 2jxx s THR 38 Cb -0.01 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 2jxx s THR 38 CO -0.04 0.50 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.06 2jxx s LEU 39 N 0.18 2.38 -0.04 4.42 2.96 -0.36 -5.02 118.68 123.20 2jxx s LEU 39 Ca -0.11 -0.78 0.02 0.00 -0.22 0.00 0.00 54.13 53.05 2jxx s LEU 39 Cb -0.15 -0.38 0.01 0.00 0.50 0.00 0.00 46.19 46.17 2jxx s LEU 39 CO 0.05 -0.21 -0.10 -1.83 -1.32 0.00 0.00 176.35 172.95 2jxx s GLU 40 N -2.59 1.23 0.04 1.98 -1.05 -1.26 -0.43 118.70 116.62 2jxx s GLU 40 Ca 0.05 -0.32 0.04 0.00 -0.15 0.00 0.00 54.97 54.59 2jxx s GLU 40 Cb -0.04 -1.10 -0.02 0.00 -0.44 0.00 0.00 34.13 32.53 2jxx s GLU 40 CO 0.01 0.05 -0.13 0.54 0.95 0.00 0.00 175.26 176.68 2jxx s VAL 41 N 0.49 1.02 -0.52 1.83 0.11 -0.89 -4.96 120.40 117.48 2jxx s VAL 41 Ca -0.09 -1.01 -0.21 0.00 -2.93 0.00 0.00 61.98 57.74 2jxx s VAL 41 Cb -0.12 -0.95 0.05 0.00 -1.53 0.00 0.00 36.38 33.83 2jxx s VAL 41 CO 0.02 -0.06 0.75 -0.94 -3.33 0.00 0.00 175.10 171.54 2jxx s SER 42 N -1.21 6.28 -0.16 3.54 1.04 -1.26 -1.52 113.70 120.41 2jxx s SER 42 Ca 0.00 -0.64 -0.05 0.00 0.48 0.00 0.00 55.95 55.74 2jxx s SER 42 Cb -0.08 -2.35 -0.03 0.00 0.10 0.00 0.00 66.02 63.66 2jxx s SER 42 CO 0.01 -1.02 -0.01 -0.22 0.98 0.00 0.00 173.24 172.99 2jxx s LEU 43 N 3.17 3.44 0.53 2.42 2.96 -0.36 -4.88 118.68 125.95 2jxx s LEU 43 Ca 0.22 -0.05 -0.18 0.00 -0.22 0.00 0.00 54.13 53.90 2jxx s LEU 43 Cb -0.16 -1.84 -0.07 0.00 0.50 0.00 0.00 46.19 44.62 2jxx s LEU 43 CO 0.15 0.19 1.03 -0.55 -1.32 0.00 0.00 176.35 175.85 2jxx s SER 44 N 0.26 6.21 0.19 3.68 0.15 -1.26 -0.95 113.70 121.98 2jxx s SER 44 Ca -0.01 1.83 0.21 0.00 0.70 0.00 0.00 55.95 58.67 2jxx s SER 44 Cb -0.13 -2.54 0.88 0.00 -1.71 0.00 0.00 66.02 62.51 2jxx s SER 44 CO 0.02 -0.87 1.63 -2.11 1.20 0.00 0.00 173.24 173.10 2jxx n ARG 45 N -1.42 0.14 -0.03 5.44 1.85 -0.72 -1.87 116.66 120.04 2jxx n ARG 45 Ca 0.09 0.39 0.03 0.00 -1.00 0.00 0.00 57.85 57.36 2jxx n ARG 45 Cb 0.53 -1.78 -0.16 0.00 -1.05 0.00 0.00 32.46 30.01 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 -2.04 0.08 -4.73 2.89 2.03 -1.26 -3.95 116.55 109.57 2jxx n ASP 46 Ca 0.02 0.03 -0.41 0.00 0.52 0.00 0.00 54.79 54.96 2jxx n ASP 46 Cb 0.20 1.51 -0.04 0.00 -0.72 0.00 0.00 41.12 42.07 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 -4.94 7.31 0.74 1.67 0.01 -0.78 -4.97 113.70 112.74 2jxx s SER 47 Ca -0.08 1.57 -0.12 0.00 1.31 0.00 0.00 55.95 58.64 2jxx s SER 47 Cb 0.11 -2.52 0.04 0.00 0.21 0.00 0.00 66.02 63.86 2jxx s SER 47 CO 0.87 -0.09 1.10 -2.84 0.41 0.00 0.00 173.24 172.70 2jxx s PRO 48 N 0.30 2.39 0.58 12.44 0.02 -1.26 -4.29 135.00 145.18 2jxx s PRO 48 Ca 0.44 1.24 0.28 0.00 0.02 0.00 0.00 61.00 62.98 2jxx s PRO 48 Cb -0.21 -1.91 1.70 0.00 0.02 0.00 0.00 34.50 34.10 2jxx s PRO 48 CO 0.26 -1.55 2.17 -0.07 -0.33 0.00 0.00 177.00 177.48 2jxx h LEU 49 N -0.82 0.00 -1.09 -5.54 -0.00 -0.76 -2.69 115.31 104.42 2jxx h LEU 49 Ca -0.44 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.50 2jxx h LEU 49 Cb 1.24 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.83 2jxx h LEU 49 CO 0.52 0.00 0.61 0.07 -0.00 0.00 0.00 178.44 179.64 2jxx h LYS 50 N 0.00 1.07 0.00 1.13 5.09 -1.49 0.29 116.57 122.66 2jxx h LYS 50 Ca 0.05 -0.06 -0.12 0.00 0.09 0.00 0.00 60.65 60.60 2jxx h LYS 50 Cb 0.25 -0.24 -0.02 0.00 0.10 0.00 0.00 32.23 32.32 2jxx h LYS 50 CO -0.00 0.71 -0.59 0.00 -2.09 0.00 0.00 179.45 177.48 2jxx h THR 51 N 1.10 1.38 -0.30 0.07 1.03 -1.77 -1.90 112.91 112.52 2jxx h THR 51 Ca 0.40 -2.05 -0.15 0.00 -0.01 0.00 0.00 66.41 64.60 2jxx h THR 51 Cb 0.17 2.12 -0.00 0.00 -1.07 0.00 0.00 68.15 69.37 2jxx h THR 51 CO -0.15 0.58 -0.39 0.25 -0.01 0.00 0.00 175.52 175.80 2jxx h LEU 52 N 0.00 0.86 -0.27 0.00 6.46 -1.52 -2.34 115.31 118.50 2jxx h LEU 52 Ca -0.01 -0.50 0.05 0.00 -0.12 0.00 0.00 57.88 57.31 2jxx h LEU 52 Cb 1.07 -0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 40.71 2jxx h LEU 52 CO 0.08 1.18 -0.04 0.24 -0.62 0.00 0.00 178.44 179.28 2jxx h MET 53 N 0.55 0.03 -0.47 1.25 2.86 -0.64 -1.12 114.93 117.39 2jxx h MET 53 Ca 0.04 -0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.57 2jxx h MET 53 Cb 0.98 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 2jxx h MET 53 CO 0.09 0.02 -0.14 0.66 1.06 0.00 0.00 176.91 178.60 2jxx h SER 54 N 0.03 0.88 -0.09 1.22 4.64 -1.41 -2.68 113.55 116.15 2jxx h SER 54 Ca 0.13 -0.29 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 2jxx h SER 54 Cb 0.19 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2jxx h SER 54 CO -0.26 1.02 0.02 -0.74 -0.87 0.00 0.00 176.83 176.00 2jxx h HIS 55 N 0.78 0.15 0.57 4.77 6.17 -1.00 -1.82 115.15 124.77 2jxx h HIS 55 Ca 0.12 -0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.17 2jxx h HIS 55 Cb 0.66 -0.04 -0.02 0.00 2.52 0.00 0.00 27.41 30.53 2jxx h HIS 55 CO 0.04 0.32 -0.47 -0.92 0.71 0.00 0.00 177.93 177.61 2jxx h TYR 56 N -0.07 -1.27 -0.14 5.26 3.20 -1.19 -0.98 116.97 121.77 2jxx h TYR 56 Ca 0.03 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 2jxx h TYR 56 Cb 0.25 0.48 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 2jxx h TYR 56 CO 0.01 -0.65 -0.03 1.05 -1.64 0.00 0.00 178.16 176.90 2jxx h GLU 57 N -1.01 0.20 -0.12 1.82 4.11 -1.48 -0.61 114.58 117.50 2jxx h GLU 57 Ca -0.07 -0.03 -0.06 0.00 0.07 0.00 0.00 59.36 59.27 2jxx h GLU 57 Cb 0.86 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 2jxx h GLU 57 CO -0.01 0.25 -0.17 0.93 0.07 0.00 0.00 179.01 180.08 2jxx h GLU 58 N 0.20 0.33 0.03 1.06 5.08 -1.29 -1.05 114.58 118.94 2jxx h GLU 58 Ca 0.05 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2jxx h GLU 58 Cb 0.19 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2jxx h GLU 58 CO 0.01 0.77 -0.02 0.00 -1.00 0.00 0.00 179.01 178.77 2jxx h ALA 59 N 0.55 -0.04 -0.24 3.43 0.00 -0.58 -3.25 119.26 119.14 2jxx h ALA 59 Ca 0.01 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 2jxx h ALA 59 Cb 0.74 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 2jxx h ALA 59 CO 0.04 -0.29 0.11 -0.12 0.00 0.00 0.00 179.25 178.98 2jxx n MET 60 N -4.89 1.74 -3.98 0.00 0.00 -0.29 -4.89 117.12 104.81 2jxx n MET 60 Ca -0.08 -0.92 -0.27 0.00 -0.00 0.00 0.00 57.70 56.42 2jxx n MET 60 Cb 0.24 -1.53 -0.02 0.00 0.00 0.00 0.00 33.22 31.92 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 0.09 -0.27 0.50 -5.12 0.00 -1.23 -4.89 105.19 94.26 2jxx n GLY 61 Ca 0.14 0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.41 1.25 -4.56 0.99 7.99 -0.40 -4.83 117.00 113.03 2jxx n LEU 62 Ca -0.23 -0.63 -0.19 0.00 -0.01 0.00 0.00 56.01 54.95 2jxx n LEU 62 Cb 0.65 -0.33 -0.06 0.00 -0.11 0.00 0.00 43.42 43.57 2jxx n LEU 62 CO 0.77 0.24 1.34 -0.55 -1.51 0.00 0.00 177.39 177.67 2jxx s SER 63 N -0.51 4.27 0.00 -1.43 0.15 -1.26 -2.06 113.70 112.85 2jxx s SER 63 Ca 0.08 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.73 2jxx s SER 63 Cb 0.05 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2jxx s SER 63 CO 0.04 -3.48 0.00 0.61 1.20 0.00 0.00 173.24 171.61 2jxx n GLY 64 N 6.71 2.40 3.15 9.45 0.00 -1.26 -5.12 105.19 120.52 2jxx n GLY 64 Ca 0.43 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 1.99 -0.16 1.61 1.70 -0.87 -5.14 118.95 118.08 2jxx s ARG 65 Ca 0.00 -0.65 -0.08 0.00 -0.47 0.00 0.00 55.73 54.53 2jxx s ARG 65 Cb 0.00 -1.68 -0.04 0.00 -0.57 0.00 0.00 34.95 32.65 2jxx s ARG 65 CO 0.00 0.23 0.12 0.21 -1.08 0.00 0.00 175.30 174.78 2jxx s LYS 66 N 0.11 3.77 0.24 3.89 2.20 -1.26 -4.86 119.74 123.83 2jxx s LYS 66 Ca -0.06 -0.20 0.10 0.00 -0.36 0.00 0.00 55.97 55.44 2jxx s LYS 66 Cb -0.13 -3.26 -0.05 0.00 -1.51 0.00 0.00 37.83 32.88 2jxx s LYS 66 CO 0.03 0.53 -0.17 -0.48 -0.36 0.00 0.00 175.35 174.90 2jxx s LEU 67 N -0.32 2.57 0.35 5.43 -0.00 -1.26 -4.87 118.68 120.58 2jxx s LEU 67 Ca 0.11 -1.02 0.00 0.00 -0.00 0.00 0.00 54.13 53.22 2jxx s LEU 67 Cb -0.12 -0.90 -0.03 0.00 -0.00 0.00 0.00 46.19 45.15 2jxx s LEU 67 CO 0.01 -0.06 0.56 -0.44 -0.00 0.00 0.00 176.35 176.42 2jxx s SER 68 N -3.39 6.27 -0.07 1.48 0.01 -0.58 -4.91 113.70 112.50 2jxx s SER 68 Ca 0.26 0.44 0.04 0.00 1.31 0.00 0.00 55.95 58.00 2jxx s SER 68 Cb -0.03 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.20 2jxx s SER 68 CO 0.11 -0.32 -0.18 -0.36 0.41 0.00 0.00 173.24 172.90 2jxx s PHE 69 N -2.33 1.93 -0.12 2.43 0.40 -1.26 -1.34 117.98 117.70 2jxx s PHE 69 Ca 0.40 -0.70 -0.02 0.00 -0.60 0.00 0.00 56.93 56.02 2jxx s PHE 69 Cb -0.10 -1.33 0.04 0.00 0.51 0.00 0.00 43.02 42.14 2jxx s PHE 69 CO 0.36 -0.29 -0.00 -0.06 0.70 0.00 0.00 175.22 175.93 2jxx s PHE 70 N 0.34 0.94 -0.42 0.36 0.40 -0.31 -2.15 117.98 117.14 2jxx s PHE 70 Ca -0.12 -0.49 -0.17 0.00 -0.60 0.00 0.00 56.93 55.55 2jxx s PHE 70 Cb -0.15 -0.95 0.02 0.00 0.51 0.00 0.00 43.02 42.45 2jxx s PHE 70 CO 0.05 -0.45 0.41 0.12 0.70 0.00 0.00 175.22 176.05 2jxx s PHE 71 N 1.88 3.18 -1.56 0.36 5.36 -0.46 -0.83 117.98 125.91 2jxx s PHE 71 Ca 0.03 -0.44 -0.14 0.00 -0.96 0.00 0.00 56.93 55.42 2jxx s PHE 71 Cb -0.14 -2.86 0.10 0.00 -0.34 0.00 0.00 43.02 39.78 2jxx s PHE 71 CO -0.07 -0.69 0.93 -3.47 -1.46 0.00 0.00 175.22 170.46 2jxx n ASP 72 N 5.52 -4.32 0.00 6.13 2.03 -1.26 -1.04 116.55 123.61 2jxx n ASP 72 Ca -0.08 -0.83 0.00 0.00 0.52 0.00 0.00 54.79 54.39 2jxx n ASP 72 Cb 0.47 -3.63 0.00 0.00 -0.72 0.00 0.00 41.12 37.24 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 -1.63 0.44 3.61 0.27 0.00 -1.26 -5.00 105.19 101.61 2jxx n GLY 73 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.11 4.83 -0.21 2.61 2.01 -0.20 -4.98 115.64 117.59 2jxx s THR 74 Ca 0.00 1.06 -0.29 0.00 0.31 0.00 0.00 61.69 62.77 2jxx s THR 74 Cb 0.00 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.37 2jxx s THR 74 CO 0.00 -0.23 1.76 -0.75 -0.69 0.00 0.00 174.62 174.71 2jxx s LYS 75 N 2.86 3.66 -0.15 4.92 2.47 -1.26 -1.35 119.74 130.89 2jxx s LYS 75 Ca 0.30 1.76 -0.29 0.00 -1.56 0.00 0.00 55.97 56.18 2jxx s LYS 75 Cb -0.14 -4.12 -0.01 0.00 -1.46 0.00 0.00 37.83 32.10 2jxx s LYS 75 CO 0.13 -1.47 0.99 -0.51 0.16 0.00 0.00 175.35 174.64 2jxx s LEU 76 N 5.85 4.20 0.22 5.43 2.01 -0.91 -4.94 118.68 130.53 2jxx s LEU 76 Ca 0.79 1.44 0.09 0.00 0.01 0.00 0.00 54.13 56.45 2jxx s LEU 76 Cb -0.27 -3.50 0.15 0.00 0.01 0.00 0.00 46.19 42.57 2jxx s LEU 76 CO 0.32 -0.50 1.49 0.28 1.01 0.00 0.00 176.35 178.95 2jxx h SER 77 N 7.23 0.01 0.00 2.29 0.02 -1.93 -3.43 113.55 117.73 2jxx h SER 77 Ca -0.27 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2jxx h SER 77 Cb 1.12 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2jxx h SER 77 CO 0.89 0.76 0.00 0.61 -1.14 0.00 0.00 176.83 177.95 2jxx n GLY 78 N 0.64 3.09 0.40 -3.77 0.00 -1.26 -4.93 105.19 99.37 2jxx n GLY 78 Ca -0.01 -0.87 0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 1.54 -3.33 1.61 1.74 -1.26 -1.36 116.66 115.60 2jxx n ARG 79 Ca 0.00 -0.80 -0.34 0.00 -0.77 0.00 0.00 57.85 55.94 2jxx n ARG 79 Cb 0.00 -1.42 -0.06 0.00 -1.02 0.00 0.00 32.46 29.97 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 -1.90 3.93 0.26 5.56 1.03 -1.26 -4.91 118.70 121.40 2jxx s GLU 80 Ca 0.35 0.45 0.02 0.00 0.03 0.00 0.00 54.97 55.82 2jxx s GLU 80 Cb 0.18 -2.74 -0.03 0.00 -0.80 0.00 0.00 34.13 30.74 2jxx s GLU 80 CO 0.29 0.36 0.43 -0.51 -1.33 0.00 0.00 175.26 174.49 2jxx s LEU 81 N -2.46 4.19 0.44 1.83 1.43 -1.26 -0.98 118.68 121.87 2jxx s LEU 81 Ca 0.44 0.30 0.19 0.00 -1.03 0.00 0.00 54.13 54.03 2jxx s LEU 81 Cb -0.13 -3.10 1.04 0.00 0.03 0.00 0.00 46.19 44.03 2jxx s LEU 81 CO 0.20 -0.13 1.94 1.55 0.23 0.00 0.00 176.35 180.14 2jxx h PRO 82 N 1.34 0.00 -0.37 1.29 0.13 -1.78 -1.11 132.00 131.50 2jxx h PRO 82 Ca -0.50 0.00 -0.11 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 0.64 0.24 -0.23 0.00 -0.23 0.00 0.00 178.00 178.42 2jxx h ALA 83 N 1.76 0.91 -0.40 -0.56 0.00 -1.89 0.68 119.26 119.76 2jxx h ALA 83 Ca -0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 2jxx h ALA 83 Cb 0.50 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2jxx h ALA 83 CO 0.03 0.62 -0.23 0.22 0.00 0.00 0.00 179.25 179.89 2jxx h ASP 84 N 0.64 0.89 1.23 0.00 3.58 -1.67 -3.13 116.42 117.97 2jxx h ASP 84 Ca 0.09 -0.42 -0.07 0.00 0.42 0.00 0.00 57.03 57.06 2jxx h ASP 84 Cb 0.72 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 2jxx h ASP 84 CO 0.06 1.12 -0.32 -0.07 -2.88 0.00 0.00 179.24 177.14 2jxx h LEU 85 N 0.67 0.00 -2.80 2.28 3.38 -1.16 -3.49 115.31 114.20 2jxx h LEU 85 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2jxx h LEU 85 Cb 0.80 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.57 2jxx h LEU 85 CO 0.07 0.32 -0.09 0.61 0.09 0.00 0.00 178.44 179.44 2jxx n GLY 86 N 0.65 0.66 3.96 0.83 0.00 -0.08 -5.09 105.19 106.12 2jxx n GLY 86 Ca 0.01 -0.23 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.28 2.66 0.07 1.61 1.00 0.04 -5.04 119.30 116.36 2jxx s MET 87 Ca 0.04 -1.41 0.01 0.00 0.00 0.00 0.00 55.69 54.33 2jxx s MET 87 Cb -0.01 -2.59 -0.04 0.00 0.00 0.00 0.00 34.83 32.20 2jxx s MET 87 CO 0.07 -0.30 -0.06 -2.00 0.00 0.00 0.00 175.02 172.73 2jxx s GLU 88 N -4.29 0.69 -0.20 2.03 2.12 -1.26 -4.85 118.70 112.93 2jxx s GLU 88 Ca 0.52 -1.15 -0.29 0.00 0.36 0.00 0.00 54.97 54.41 2jxx s GLU 88 Cb -0.07 -0.09 -0.06 0.00 0.26 0.00 0.00 34.13 34.17 2jxx s GLU 88 CO 0.31 -0.03 2.20 -1.13 -0.54 0.00 0.00 175.26 176.07 2jxx n SER 89 N 0.37 3.27 -0.16 -1.70 3.41 -1.26 -2.01 113.62 115.54 2jxx n SER 89 Ca -0.15 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2jxx n SER 89 Cb 0.59 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 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 5.70 0.88 0.63 5.00 0.00 -0.29 -4.88 105.19 112.23 2jxx n GLY 90 Ca 0.30 -0.17 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 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 0.25 0.30 -3.89 1.61 -0.08 -0.85 -4.98 116.55 108.91 2jxx n ASP 91 Ca 0.00 -1.23 -0.16 0.00 -1.51 0.00 0.00 54.79 51.89 2jxx n ASP 91 Cb 0.13 -0.08 -0.15 0.00 2.34 0.00 0.00 41.12 43.36 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 1.65 0.08 -2.67 2.96 -1.26 -2.61 118.68 116.83 2jxx s LEU 92 Ca 0.10 -0.06 0.07 0.00 -0.22 0.00 0.00 54.13 54.02 2jxx s LEU 92 Cb -0.01 -0.23 -0.03 0.00 0.50 0.00 0.00 46.19 46.42 2jxx s LEU 92 CO 0.07 -0.01 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.27 2jxx s ILE 93 N 0.39 1.45 0.17 6.68 1.01 -0.37 -4.37 121.20 126.16 2jxx s ILE 93 Ca -0.04 -1.37 0.09 0.00 0.00 0.00 0.00 60.65 59.34 2jxx s ILE 93 Cb -0.07 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 2jxx s ILE 93 CO -0.01 -0.07 -0.20 -1.61 0.00 0.00 0.00 174.94 173.05 2jxx s GLU 94 N -1.68 1.32 -0.08 2.79 2.02 -0.01 -1.44 118.70 121.62 2jxx s GLU 94 Ca 0.03 -1.41 -0.01 0.00 0.02 0.00 0.00 54.97 53.60 2jxx s GLU 94 Cb -0.10 -1.48 0.03 0.00 0.10 0.00 0.00 34.13 32.68 2jxx s GLU 94 CO 0.03 0.31 -0.03 0.08 0.02 0.00 0.00 175.26 175.67 2jxx s VAL 95 N -1.85 0.58 -0.37 2.63 1.01 0.40 -1.16 120.40 121.64 2jxx s VAL 95 Ca 0.16 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.13 2jxx s VAL 95 Cb -0.07 -0.67 0.11 0.00 0.00 0.00 0.00 36.38 35.75 2jxx s VAL 95 CO 0.07 0.28 0.13 0.26 0.00 0.00 0.00 175.10 175.84 2jxx s TRP 96 N 1.69 2.65 0.00 5.22 0.52 -0.45 -1.26 118.94 127.32 2jxx s TRP 96 Ca 0.02 -2.49 0.00 0.00 0.02 0.00 0.00 56.10 53.65 2jxx s TRP 96 Cb -0.13 -2.31 0.00 0.00 -1.15 0.00 0.00 33.47 29.89 2jxx s TRP 96 CO -0.05 -0.87 0.00 0.41 0.02 0.00 0.00 176.95 176.47