#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 0.69 -2.20 -2.82 0.28 -1.26 -4.91 120.64 110.43 2jxx n GLU 21 Ca 0.00 -0.06 -0.42 0.00 -0.16 0.00 0.00 57.16 56.51 2jxx n GLU 21 Cb 0.00 -1.52 -0.03 0.00 1.43 0.00 0.00 31.44 31.33 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 -2.77 3.85 -0.96 3.84 -4.23 -1.26 -4.83 115.64 109.28 2jxx s THR 22 Ca -0.09 1.08 -0.31 0.00 -1.18 0.00 0.00 61.69 61.18 2jxx s THR 22 Cb 0.08 -3.70 -0.22 0.00 1.34 0.00 0.00 72.50 70.01 2jxx s THR 22 CO 0.85 -0.08 2.64 -1.20 -0.54 0.00 0.00 174.62 176.29 2jxx n SER 23 N 6.58 0.31 0.12 3.99 7.64 -1.26 -4.82 113.62 126.18 2jxx n SER 23 Ca 0.15 0.21 -0.22 0.00 1.01 0.00 0.00 58.87 60.02 2jxx n SER 23 Cb 0.44 -0.91 -0.15 0.00 -1.01 0.00 0.00 64.21 62.58 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 11.70 0.43 -6.32 1.43 5.75 -1.91 -3.48 115.11 122.72 2jxx h GLN 24 Ca -0.05 -0.73 -0.56 0.00 -0.15 0.00 0.00 58.65 57.15 2jxx h GLN 24 Cb 1.30 0.27 -0.04 0.00 1.07 0.00 0.00 27.48 30.09 2jxx h GLN 24 CO 1.36 1.34 -0.04 1.14 -2.65 0.00 0.00 178.83 179.98 2jxx s GLN 25 N -2.61 4.10 0.02 1.69 0.00 -1.26 -1.93 119.66 119.67 2jxx s GLN 25 Ca -0.09 0.64 0.03 0.00 -0.00 0.00 0.00 55.36 55.94 2jxx s GLN 25 Cb 0.05 -3.05 -0.04 0.00 0.00 0.00 0.00 33.01 29.98 2jxx s GLN 25 CO 0.91 0.53 -0.03 -0.51 0.00 0.00 0.00 175.29 176.19 2jxx s LEU 26 N -1.61 3.33 -0.75 2.60 1.43 0.12 -4.83 118.68 118.97 2jxx s LEU 26 Ca 0.35 -0.11 -0.25 0.00 -1.03 0.00 0.00 54.13 53.09 2jxx s LEU 26 Cb -0.17 -1.95 0.05 0.00 0.03 0.00 0.00 46.19 44.15 2jxx s LEU 26 CO 0.19 0.26 1.19 -1.10 0.23 0.00 0.00 176.35 177.12 2jxx s GLN 27 N -1.65 3.23 -0.23 1.70 -0.21 -1.23 -1.74 119.66 119.54 2jxx s GLN 27 Ca 0.20 -0.60 -0.06 0.00 0.02 0.00 0.00 55.36 54.92 2jxx s GLN 27 Cb -0.11 -4.36 -0.02 0.00 1.00 0.00 0.00 33.01 29.51 2jxx s GLN 27 CO 0.10 -2.03 0.03 -0.51 -2.12 0.00 0.00 175.29 170.76 2jxx s LEU 28 N 4.98 3.31 -0.03 2.90 1.43 -0.85 -2.91 118.68 127.52 2jxx s LEU 28 Ca 0.32 -0.22 -0.21 0.00 -1.03 0.00 0.00 54.13 52.99 2jxx s LEU 28 Cb -0.10 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.21 2jxx s LEU 28 CO 0.10 0.01 0.60 -0.13 0.23 0.00 0.00 176.35 177.15 2jxx s ARG 29 N 1.35 4.33 -0.08 1.70 0.52 -0.98 -2.16 118.95 123.63 2jxx s ARG 29 Ca 0.05 0.72 0.03 0.00 -0.52 0.00 0.00 55.73 56.01 2jxx s ARG 29 Cb -0.15 -3.37 0.01 0.00 0.52 0.00 0.00 34.95 31.97 2jxx s ARG 29 CO 0.02 0.30 -0.16 0.08 0.02 0.00 0.00 175.30 175.56 2jxx s VAL 30 N 0.03 1.45 0.02 3.52 1.01 0.48 -0.58 120.40 126.33 2jxx s VAL 30 Ca 0.31 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.66 2jxx s VAL 30 Cb -0.18 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 2jxx s VAL 30 CO 0.17 0.43 -0.10 -1.10 0.00 0.00 0.00 175.10 174.49 2jxx s GLN 31 N 0.58 0.69 0.82 2.72 -0.21 -0.52 -1.05 119.66 122.69 2jxx s GLN 31 Ca -0.15 -0.55 -0.11 0.00 0.02 0.00 0.00 55.36 54.56 2jxx s GLN 31 Cb -0.16 -0.62 0.10 0.00 1.00 0.00 0.00 33.01 33.32 2jxx s GLN 31 CO 0.05 0.15 1.17 0.20 -2.12 0.00 0.00 175.29 174.75 2jxx s GLY 32 N -0.84 1.65 0.48 3.09 0.00 -0.82 -0.29 107.32 110.59 2jxx s GLY 32 Ca -0.01 -0.84 0.37 0.00 0.00 0.00 0.00 44.72 44.25 2jxx s GLY 32 CO 0.00 -0.31 1.60 0.07 0.00 0.00 0.00 173.10 174.47 2jxx h LYS 33 N -1.06 0.03 -5.08 2.90 2.10 -1.29 -3.20 116.57 110.96 2jxx h LYS 33 Ca -0.45 -0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.52 2jxx h LYS 33 Cb 1.31 -0.01 -0.17 0.00 -0.90 0.00 0.00 32.23 32.46 2jxx h LYS 33 CO 0.59 0.02 0.11 -1.83 -2.00 0.00 0.00 179.45 176.34 2jxx s GLU 34 N -5.15 3.15 0.24 0.07 -1.05 -1.26 -4.97 118.70 109.73 2jxx s GLU 34 Ca -0.07 -0.80 0.24 0.00 -0.15 0.00 0.00 54.97 54.19 2jxx s GLU 34 Cb 0.29 -4.09 0.95 0.00 -0.44 0.00 0.00 34.13 30.84 2jxx s GLU 34 CO 0.84 -1.25 1.71 0.36 0.95 0.00 0.00 175.26 177.88 2jxx n LYS 35 N 6.33 0.19 0.16 -4.83 2.85 -1.21 -1.51 118.16 120.14 2jxx n LYS 35 Ca -0.05 0.39 0.03 0.00 -1.05 0.00 0.00 58.31 57.62 2jxx n LYS 35 Cb 0.46 -1.84 0.40 0.00 -0.65 0.00 0.00 35.03 33.39 2jxx n LYS 35 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2jxx h HIS 36 N 0.00 0.12 -0.81 5.58 2.76 -1.93 -3.37 115.15 117.50 2jxx h HIS 36 Ca 0.00 -0.02 -0.42 0.00 -2.20 0.00 0.00 60.37 57.73 2jxx h HIS 36 Cb 0.41 -0.03 -0.07 0.00 1.55 0.00 0.00 27.41 29.27 2jxx h HIS 36 CO 0.00 0.33 1.13 -1.14 -1.30 0.00 0.00 177.93 176.96 2jxx s GLN 37 N -4.54 2.98 -0.11 5.26 2.00 -0.57 -4.95 119.66 119.73 2jxx s GLN 37 Ca -0.04 -0.80 0.03 0.00 -2.00 0.00 0.00 55.36 52.54 2jxx s GLN 37 Cb 0.15 -5.22 0.01 0.00 0.80 0.00 0.00 33.01 28.75 2jxx s GLN 37 CO 0.72 -3.01 -0.21 0.99 -0.50 0.00 0.00 175.29 173.28 2jxx s THR 38 N 8.17 1.88 -0.02 -0.34 2.01 -1.26 -1.95 115.64 124.14 2jxx s THR 38 Ca 0.61 -0.90 -0.00 0.00 0.31 0.00 0.00 61.69 61.72 2jxx s THR 38 Cb -0.03 -1.66 0.03 0.00 0.01 0.00 0.00 72.50 70.85 2jxx s THR 38 CO -0.01 0.52 0.03 -0.22 -0.69 0.00 0.00 174.62 174.25 2jxx s LEU 39 N 0.63 1.19 -0.14 4.42 1.98 -0.22 -5.01 118.68 121.53 2jxx s LEU 39 Ca -0.13 0.04 0.02 0.00 -2.89 0.00 0.00 54.13 51.17 2jxx s LEU 39 Cb -0.16 -0.06 0.01 0.00 0.66 0.00 0.00 46.19 46.63 2jxx s LEU 39 CO 0.03 -0.11 -0.20 -1.83 -1.89 0.00 0.00 176.35 172.35 2jxx s GLU 40 N 0.94 3.07 0.12 1.98 -1.05 -1.26 -0.39 118.70 122.12 2jxx s GLU 40 Ca -0.08 -0.83 0.06 0.00 -0.15 0.00 0.00 54.97 53.98 2jxx s GLU 40 Cb -0.11 -2.49 -0.04 0.00 -0.44 0.00 0.00 34.13 31.05 2jxx s GLU 40 CO -0.03 -0.01 -0.15 0.54 0.95 0.00 0.00 175.26 176.57 2jxx s VAL 41 N 0.81 1.40 -0.46 1.83 0.11 -0.92 -4.97 120.40 118.20 2jxx s VAL 41 Ca -0.07 -1.69 -0.21 0.00 -2.93 0.00 0.00 61.98 57.09 2jxx s VAL 41 Cb -0.15 -1.53 0.03 0.00 -1.53 0.00 0.00 36.38 33.20 2jxx s VAL 41 CO -0.01 -0.36 0.68 -0.44 -3.33 0.00 0.00 175.10 171.64 2jxx s SER 42 N -2.36 6.31 -0.21 3.54 0.01 -1.26 -2.00 113.70 117.73 2jxx s SER 42 Ca 0.08 -0.44 -0.06 0.00 1.31 0.00 0.00 55.95 56.85 2jxx s SER 42 Cb -0.06 -2.33 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 2jxx s SER 42 CO 0.03 -0.86 0.03 -0.22 0.41 0.00 0.00 173.24 172.63 2jxx s LEU 43 N 2.94 3.40 0.19 2.44 2.96 -0.71 -4.80 118.68 125.09 2jxx s LEU 43 Ca 0.23 -0.15 -0.30 0.00 -0.22 0.00 0.00 54.13 53.69 2jxx s LEU 43 Cb -0.15 -1.87 -0.08 0.00 0.50 0.00 0.00 46.19 44.59 2jxx s LEU 43 CO 0.18 0.07 1.21 -0.44 -1.32 0.00 0.00 176.35 176.04 2jxx s SER 44 N 1.00 7.07 0.07 3.68 0.01 -1.26 -0.70 113.70 123.57 2jxx s SER 44 Ca 0.03 2.24 0.21 0.00 1.31 0.00 0.00 55.95 59.74 2jxx s SER 44 Cb -0.14 -2.61 0.86 0.00 0.21 0.00 0.00 66.02 64.34 2jxx s SER 44 CO 0.02 -0.38 1.66 -2.11 0.41 0.00 0.00 173.24 172.84 2jxx n ARG 45 N 2.52 0.06 0.06 12.44 1.85 -0.81 -0.97 116.66 131.81 2jxx n ARG 45 Ca 0.04 0.21 0.11 0.00 -1.00 0.00 0.00 57.85 57.22 2jxx n ARG 45 Cb 0.45 -1.60 0.01 0.00 -1.05 0.00 0.00 32.46 30.26 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 -1.71 0.64 -4.86 2.89 2.03 -1.26 -3.99 116.55 110.29 2jxx n ASP 46 Ca 0.04 0.08 -0.35 0.00 0.52 0.00 0.00 54.79 55.08 2jxx n ASP 46 Cb 0.25 0.73 -0.06 0.00 -0.72 0.00 0.00 41.12 41.32 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 -4.64 6.67 0.74 1.67 0.01 -0.14 -4.98 113.70 113.03 2jxx s SER 47 Ca 0.01 0.82 -0.11 0.00 1.31 0.00 0.00 55.95 57.98 2jxx s SER 47 Cb 0.12 -2.19 0.04 0.00 0.21 0.00 0.00 66.02 64.20 2jxx s SER 47 CO 0.80 0.21 1.08 -2.16 0.41 0.00 0.00 173.24 173.58 2jxx s PRO 48 N -1.71 2.55 0.61 12.44 0.05 -1.26 -4.28 135.00 143.40 2jxx s PRO 48 Ca 0.30 1.01 0.31 0.00 0.05 0.00 0.00 61.00 62.67 2jxx s PRO 48 Cb -0.14 -1.94 1.77 0.00 0.05 0.00 0.00 34.50 34.23 2jxx s PRO 48 CO 0.17 -1.39 2.11 -0.07 0.05 0.00 0.00 177.00 177.86 2jxx h LEU 49 N -0.94 0.00 -1.25 -3.56 -0.00 -1.43 -2.74 115.31 105.39 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 1.23 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.83 2jxx h LEU 49 CO 0.55 0.00 0.53 0.07 -0.00 0.00 0.00 178.44 179.59 2jxx h LYS 50 N 0.00 0.89 0.00 1.13 5.09 -1.84 0.39 116.57 122.24 2jxx h LYS 50 Ca 0.06 -0.05 -0.09 0.00 0.09 0.00 0.00 60.65 60.66 2jxx h LYS 50 Cb 0.46 -0.20 -0.01 0.00 0.10 0.00 0.00 32.23 32.57 2jxx h LYS 50 CO -0.00 0.59 -0.43 0.00 -2.09 0.00 0.00 179.45 177.52 2jxx h THR 51 N 0.92 1.10 -0.11 0.07 1.03 -1.83 -1.16 112.91 112.94 2jxx h THR 51 Ca 0.35 -1.60 -0.21 0.00 -0.01 0.00 0.00 66.41 64.94 2jxx h THR 51 Cb 0.19 1.92 0.01 0.00 -1.07 0.00 0.00 68.15 69.20 2jxx h THR 51 CO -0.12 0.42 -0.74 0.25 -0.01 0.00 0.00 175.52 175.32 2jxx h LEU 52 N 0.00 0.84 -0.68 0.00 6.46 -1.49 -2.59 115.31 117.85 2jxx h LEU 52 Ca -0.00 -0.66 0.08 0.00 -0.12 0.00 0.00 57.88 57.18 2jxx h LEU 52 Cb 0.88 -0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 40.50 2jxx h LEU 52 CO 0.06 1.37 0.34 0.24 -0.62 0.00 0.00 178.44 179.82 2jxx h MET 53 N 0.37 0.58 -0.14 1.25 2.86 -0.60 -1.39 114.93 117.86 2jxx h MET 53 Ca -0.06 -0.04 -0.17 0.00 -2.06 0.00 0.00 59.70 57.37 2jxx h MET 53 Cb 1.39 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.91 2jxx h MET 53 CO 0.15 0.39 -0.64 0.66 1.06 0.00 0.00 176.91 178.53 2jxx h SER 54 N 0.60 0.58 -0.07 1.22 4.64 -1.29 -2.90 113.55 116.34 2jxx h SER 54 Ca 0.32 -0.34 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 2jxx h SER 54 Cb 0.30 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2jxx h SER 54 CO -0.24 1.07 -0.08 -0.74 -0.87 0.00 0.00 176.83 175.97 2jxx h HIS 55 N 0.37 0.21 0.46 4.77 6.17 -1.04 -2.44 115.15 123.65 2jxx h HIS 55 Ca -0.01 -0.07 -0.01 0.00 0.71 0.00 0.00 60.37 60.99 2jxx h HIS 55 Cb 1.20 -0.04 -0.02 0.00 2.52 0.00 0.00 27.41 31.06 2jxx h HIS 55 CO 0.05 0.64 -0.46 -0.92 0.71 0.00 0.00 177.93 177.95 2jxx h TYR 56 N -0.27 -1.27 -0.12 5.26 5.03 -1.34 -1.54 116.97 122.72 2jxx h TYR 56 Ca 0.01 0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.36 2jxx h TYR 56 Cb 0.61 0.49 -0.00 0.00 1.55 0.00 0.00 36.73 39.38 2jxx h TYR 56 CO 0.10 -0.62 0.10 1.05 -1.32 0.00 0.00 178.16 177.46 2jxx h GLU 57 N -0.93 0.00 -0.14 1.82 4.11 -1.57 -0.96 114.58 116.92 2jxx h GLU 57 Ca -0.05 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.17 2jxx h GLU 57 Cb 0.82 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.08 2jxx h GLU 57 CO -0.07 0.00 -0.74 0.93 0.07 0.00 0.00 179.01 179.20 2jxx h GLU 58 N 0.00 0.75 0.12 1.06 5.08 -1.30 0.24 114.58 120.53 2jxx h GLU 58 Ca 0.06 -0.62 0.01 0.00 -1.00 0.00 0.00 59.36 57.80 2jxx h GLU 58 Cb 0.25 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2jxx h GLU 58 CO -0.00 1.23 -0.13 0.00 -1.00 0.00 0.00 179.01 179.11 2jxx h ALA 59 N 0.53 -0.24 -0.96 3.43 0.00 -0.11 -2.84 119.26 119.06 2jxx h ALA 59 Ca -0.05 -0.03 -0.61 0.00 0.00 0.00 0.00 54.91 54.22 2jxx h ALA 59 Cb 1.38 0.19 -0.30 0.00 0.00 0.00 0.00 17.79 19.06 2jxx h ALA 59 CO 0.15 -0.66 0.70 -1.33 0.00 0.00 0.00 179.25 178.11 2jxx n MET 60 N -5.25 2.58 -4.15 0.00 2.81 -1.19 -4.94 117.12 106.97 2jxx n MET 60 Ca -0.07 -3.25 -0.33 0.00 -1.81 0.00 0.00 57.70 52.24 2jxx n MET 60 Cb 0.17 -2.24 -0.06 0.00 -0.71 0.00 0.00 33.22 30.38 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 -0.98 -0.29 0.00 3.03 0.00 -1.07 -4.86 105.19 101.01 2jxx n GLY 61 Ca 0.60 0.20 0.01 0.00 0.00 0.00 0.00 46.02 46.84 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 -4.44 0.00 -4.55 0.99 7.99 0.84 -4.78 117.00 113.05 2jxx n LEU 62 Ca -0.25 0.00 -0.27 0.00 -0.01 0.00 0.00 56.01 55.48 2jxx n LEU 62 Cb 0.61 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.87 2jxx n LEU 62 CO 0.76 0.00 1.64 -0.94 -1.51 0.00 0.00 177.39 177.33 2jxx s SER 63 N -1.19 4.33 0.00 -1.43 1.04 -1.23 -2.43 113.70 112.79 2jxx s SER 63 Ca 0.03 0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.97 2jxx s SER 63 Cb 0.01 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2jxx s SER 63 CO 0.03 -3.22 0.00 0.61 0.98 0.00 0.00 173.24 171.63 2jxx n GLY 64 N 6.35 1.06 2.94 7.32 0.00 -1.26 -5.10 105.19 116.50 2jxx n GLY 64 Ca 0.39 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 46.16 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 1.25 0.09 1.61 0.52 -1.02 -5.14 118.95 116.26 2jxx s ARG 65 Ca 0.00 -0.24 -0.22 0.00 -0.52 0.00 0.00 55.73 54.75 2jxx s ARG 65 Cb 0.00 -1.16 -0.07 0.00 0.52 0.00 0.00 34.95 34.24 2jxx s ARG 65 CO 0.00 -0.07 0.66 0.21 0.02 0.00 0.00 175.30 176.12 2jxx s LYS 66 N 0.96 4.37 0.19 3.54 2.20 -1.26 -4.90 119.74 124.84 2jxx s LYS 66 Ca -0.10 0.91 0.10 0.00 -0.36 0.00 0.00 55.97 56.52 2jxx s LYS 66 Cb -0.15 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 2jxx s LYS 66 CO 0.00 0.55 -0.19 -0.48 -0.36 0.00 0.00 175.35 174.88 2jxx s LEU 67 N -0.91 2.64 0.56 5.43 -0.00 -1.26 -4.94 118.68 120.19 2jxx s LEU 67 Ca 0.32 -0.76 -0.07 0.00 -0.00 0.00 0.00 54.13 53.62 2jxx s LEU 67 Cb -0.21 -1.35 -0.03 0.00 -0.00 0.00 0.00 46.19 44.60 2jxx s LEU 67 CO 0.22 0.12 0.90 -0.44 -0.00 0.00 0.00 176.35 177.14 2jxx s SER 68 N -2.72 6.08 -0.08 1.48 0.01 -0.58 -4.88 113.70 113.01 2jxx s SER 68 Ca 0.22 1.05 0.02 0.00 1.31 0.00 0.00 55.95 58.55 2jxx s SER 68 Cb -0.08 -2.20 0.02 0.00 0.21 0.00 0.00 66.02 63.96 2jxx s SER 68 CO 0.12 -0.80 -0.12 -0.36 0.41 0.00 0.00 173.24 172.49 2jxx s PHE 69 N -2.96 1.57 -0.04 2.43 0.40 -1.26 -1.41 117.98 116.72 2jxx s PHE 69 Ca 0.51 -0.65 0.06 0.00 -0.60 0.00 0.00 56.93 56.26 2jxx s PHE 69 Cb -0.11 -1.17 -0.01 0.00 0.51 0.00 0.00 43.02 42.25 2jxx s PHE 69 CO 0.48 -0.35 -0.21 -0.06 0.70 0.00 0.00 175.22 175.77 2jxx s PHE 70 N 0.89 2.03 -0.28 0.36 0.40 -1.00 -2.05 117.98 118.32 2jxx s PHE 70 Ca -0.10 -0.51 0.00 0.00 -0.60 0.00 0.00 56.93 55.72 2jxx s PHE 70 Cb -0.15 -1.33 0.05 0.00 0.51 0.00 0.00 43.02 42.10 2jxx s PHE 70 CO 0.01 -0.13 -0.05 0.12 0.70 0.00 0.00 175.22 175.87 2jxx s PHE 71 N -0.24 3.24 -1.52 0.36 5.36 -0.63 -0.23 117.98 124.32 2jxx s PHE 71 Ca 0.01 -2.01 -0.13 0.00 -0.96 0.00 0.00 56.93 53.83 2jxx s PHE 71 Cb -0.11 -2.03 0.09 0.00 -0.34 0.00 0.00 43.02 40.62 2jxx s PHE 71 CO 0.01 -0.83 0.88 -3.47 -1.46 0.00 0.00 175.22 170.36 2jxx n ASP 72 N 4.55 -4.64 -0.77 6.13 2.03 -1.26 -1.37 116.55 121.23 2jxx n ASP 72 Ca -0.14 -0.71 -0.09 0.00 0.52 0.00 0.00 54.79 54.37 2jxx n ASP 72 Cb 0.43 -3.73 -0.03 0.00 -0.72 0.00 0.00 41.12 37.08 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 -1.58 0.80 3.53 0.27 0.00 -1.26 -5.03 105.19 101.91 2jxx n GLY 73 Ca 0.03 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.36 4.83 -0.18 2.61 2.01 -0.47 -5.06 115.64 117.02 2jxx s THR 74 Ca 0.00 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 2jxx s THR 74 Cb 0.00 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 2jxx s THR 74 CO 0.00 0.30 1.75 -0.75 -0.69 0.00 0.00 174.62 175.23 2jxx s LYS 75 N 1.63 3.75 -0.22 4.92 2.47 -1.26 -1.61 119.74 129.42 2jxx s LYS 75 Ca 0.07 1.85 -0.25 0.00 -1.56 0.00 0.00 55.97 56.08 2jxx s LYS 75 Cb -0.15 -4.10 -0.01 0.00 -1.46 0.00 0.00 37.83 32.11 2jxx s LYS 75 CO 0.07 -1.36 0.84 -0.51 0.16 0.00 0.00 175.35 174.55 2jxx s LEU 76 N 5.53 4.10 0.11 5.43 1.43 -0.87 -4.97 118.68 129.44 2jxx s LEU 76 Ca 0.78 1.08 -0.04 0.00 -1.03 0.00 0.00 54.13 54.92 2jxx s LEU 76 Cb -0.29 -3.22 -0.15 0.00 0.03 0.00 0.00 46.19 42.57 2jxx s LEU 76 CO 0.32 -0.49 1.26 0.28 0.23 0.00 0.00 176.35 177.94 2jxx h SER 77 N 7.58 0.49 0.00 2.29 0.02 -1.93 -3.43 113.55 118.57 2jxx h SER 77 Ca -0.24 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.27 2jxx h SER 77 Cb 1.10 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.49 2jxx h SER 77 CO 0.87 1.26 0.00 0.61 -1.14 0.00 0.00 176.83 178.43 2jxx n GLY 78 N 1.12 1.27 0.02 -3.77 0.00 -1.26 -4.98 105.19 97.59 2jxx n GLY 78 Ca -0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.33 1.77 -4.08 1.61 1.74 -1.26 -4.06 116.66 112.04 2jxx n ARG 79 Ca 0.00 -1.20 -0.32 0.00 -0.77 0.00 0.00 57.85 55.57 2jxx n ARG 79 Cb 0.00 -0.84 -0.07 0.00 -1.02 0.00 0.00 32.46 30.53 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 -0.72 2.96 0.15 5.56 1.03 -1.26 -4.98 118.70 121.44 2jxx s GLU 80 Ca 0.02 -0.60 0.01 0.00 0.03 0.00 0.00 54.97 54.43 2jxx s GLU 80 Cb 0.02 -2.78 -0.04 0.00 -0.80 0.00 0.00 34.13 30.52 2jxx s GLU 80 CO 0.00 0.60 0.31 -0.51 -1.33 0.00 0.00 175.26 174.33 2jxx s LEU 81 N -2.08 4.31 0.42 1.83 1.43 -1.26 -1.25 118.68 122.08 2jxx s LEU 81 Ca 0.26 0.26 0.15 0.00 -1.03 0.00 0.00 54.13 53.77 2jxx s LEU 81 Cb -0.12 -3.00 0.93 0.00 0.03 0.00 0.00 46.19 44.03 2jxx s LEU 81 CO 0.18 0.04 1.93 1.55 0.23 0.00 0.00 176.35 180.28 2jxx h PRO 82 N 2.22 0.00 -0.72 1.29 0.13 -1.76 -1.53 132.00 131.63 2jxx h PRO 82 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 2jxx h PRO 82 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2jxx h PRO 82 CO 0.69 0.25 0.24 0.00 -0.23 0.00 0.00 178.00 178.96 2jxx h ALA 83 N 1.75 1.08 -0.41 -0.56 0.00 -1.83 0.12 119.26 119.40 2jxx h ALA 83 Ca -0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 2jxx h ALA 83 Cb 0.47 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jxx h ALA 83 CO 0.03 0.64 -0.23 0.22 0.00 0.00 0.00 179.25 179.91 2jxx h ASP 84 N 1.05 0.86 1.31 0.00 3.58 -1.62 -3.06 116.42 118.54 2jxx h ASP 84 Ca 0.23 -0.32 -0.09 0.00 0.42 0.00 0.00 57.03 57.28 2jxx h ASP 84 Cb 0.27 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 2jxx h ASP 84 CO -0.01 1.05 -0.41 -0.07 -2.88 0.00 0.00 179.24 176.92 2jxx h LEU 85 N 0.72 0.00 0.00 2.28 3.38 -1.21 -3.48 115.31 117.01 2jxx h LEU 85 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2jxx h LEU 85 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2jxx h LEU 85 CO 0.06 0.41 0.00 0.61 0.09 0.00 0.00 178.44 179.61 2jxx n GLY 86 N 0.86 1.12 3.78 0.83 0.00 -0.50 -5.10 105.19 106.18 2jxx n GLY 86 Ca 0.01 -0.33 -0.29 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 -1.31 1.00 0.32 1.61 -1.94 0.29 -5.02 119.30 114.24 2jxx s MET 87 Ca 0.00 0.26 -0.13 0.00 -1.71 0.00 0.00 55.69 54.10 2jxx s MET 87 Cb 0.00 -1.83 0.02 0.00 2.01 0.00 0.00 34.83 35.04 2jxx s MET 87 CO 0.00 -2.29 0.64 -2.00 -0.01 0.00 0.00 175.02 171.36 2jxx s GLU 88 N -5.30 1.91 0.00 2.03 2.56 -1.26 -4.65 118.70 113.99 2jxx s GLU 88 Ca 0.65 -1.36 0.00 0.00 0.00 0.00 0.00 54.97 54.25 2jxx s GLU 88 Cb -0.14 0.55 0.00 0.00 2.00 0.00 0.00 34.13 36.54 2jxx s GLU 88 CO 0.54 -0.85 0.13 0.45 -0.56 0.00 0.00 175.26 174.96 2jxx n SER 89 N -0.96 0.09 -2.78 -1.70 2.88 -1.26 -2.06 113.62 107.83 2jxx n SER 89 Ca -0.04 -0.34 -0.10 0.00 -1.33 0.00 0.00 58.87 57.07 2jxx n SER 89 Cb 0.60 -0.04 0.07 0.00 -0.75 0.00 0.00 64.21 64.10 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 0.04 1.39 1.26 0.46 0.00 -1.14 -3.50 105.19 103.71 2jxx n GLY 90 Ca 0.00 -0.43 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.01 1.31 -3.82 1.61 -0.08 -0.87 -5.00 116.55 109.69 2jxx n ASP 91 Ca 0.06 -1.59 -0.14 0.00 -1.51 0.00 0.00 54.79 51.62 2jxx n ASP 91 Cb 0.76 -0.05 -0.15 0.00 2.34 0.00 0.00 41.12 44.02 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 1.51 0.11 -2.67 2.96 -1.26 -2.32 118.68 117.00 2jxx s LEU 92 Ca 0.13 0.02 0.07 0.00 -0.22 0.00 0.00 54.13 54.13 2jxx s LEU 92 Cb -0.01 -0.03 -0.03 0.00 0.50 0.00 0.00 46.19 46.61 2jxx s LEU 92 CO 0.08 -0.07 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.25 2jxx s ILE 93 N 0.57 1.44 0.34 6.68 1.01 0.25 -4.60 121.20 126.89 2jxx s ILE 93 Ca -0.05 -1.57 0.09 0.00 0.00 0.00 0.00 60.65 59.12 2jxx s ILE 93 Cb -0.07 -1.44 -0.06 0.00 0.01 0.00 0.00 42.46 40.90 2jxx s ILE 93 CO -0.02 -0.24 -0.00 -1.61 0.00 0.00 0.00 174.94 173.07 2jxx s GLU 94 N -2.18 2.03 -0.14 2.79 2.02 0.68 -1.43 118.70 122.46 2jxx s GLU 94 Ca 0.06 -1.79 -0.04 0.00 0.02 0.00 0.00 54.97 53.22 2jxx s GLU 94 Cb -0.08 -1.88 0.06 0.00 0.10 0.00 0.00 34.13 32.32 2jxx s GLU 94 CO 0.04 0.13 0.11 0.08 0.02 0.00 0.00 175.26 175.63 2jxx s VAL 95 N -2.54 -0.14 -0.43 2.63 1.01 0.60 -2.38 120.40 119.16 2jxx s VAL 95 Ca 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 2jxx s VAL 95 Cb 0.01 -0.49 0.12 0.00 0.00 0.00 0.00 36.38 36.02 2jxx s VAL 95 CO 0.19 -0.15 0.20 0.26 0.00 0.00 0.00 175.10 175.59 2jxx s TRP 96 N 2.18 3.58 0.00 5.22 0.52 -0.50 -0.71 118.94 129.23 2jxx s TRP 96 Ca 0.03 -2.66 0.00 0.00 0.02 0.00 0.00 56.10 53.49 2jxx s TRP 96 Cb -0.15 -3.12 0.00 0.00 -1.15 0.00 0.00 33.47 29.05 2jxx s TRP 96 CO -0.08 -0.93 0.00 0.41 0.02 0.00 0.00 176.95 176.37