#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 0.63 -3.66 1.09 2.13 -1.26 -4.82 120.64 114.76 2jxx n GLU 21 Ca 0.00 0.20 -0.38 0.00 0.66 0.00 0.00 57.16 57.64 2jxx n GLU 21 Cb 0.00 -1.52 -0.09 0.00 0.27 0.00 0.00 31.44 30.10 2jxx n GLU 21 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 2jxx s THR 22 N -2.52 3.95 -1.04 6.31 -1.32 -1.26 -4.98 115.64 114.78 2jxx s THR 22 Ca -0.36 -2.69 -0.03 0.00 -1.21 0.00 0.00 61.69 57.40 2jxx s THR 22 Cb 0.11 -3.57 0.30 0.00 -1.51 0.00 0.00 72.50 67.84 2jxx s THR 22 CO 0.57 -0.87 1.41 -1.20 -2.21 0.00 0.00 174.62 172.33 2jxx n SER 23 N 3.81 6.18 0.11 8.08 7.64 -1.26 -4.80 113.62 133.38 2jxx n SER 23 Ca 0.06 -3.41 -0.06 0.00 1.01 0.00 0.00 58.87 56.47 2jxx n SER 23 Cb 0.40 -1.22 -0.03 0.00 -1.01 0.00 0.00 64.21 62.35 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 5.33 -0.35 -6.69 1.43 4.15 -1.98 -3.45 115.11 113.56 2jxx h GLN 24 Ca 0.20 0.02 -0.70 0.00 0.77 0.00 0.00 58.65 58.95 2jxx h GLN 24 Cb 0.62 0.08 -0.28 0.00 0.21 0.00 0.00 27.48 28.11 2jxx h GLN 24 CO 1.29 -0.23 -0.88 1.14 -1.93 0.00 0.00 178.83 178.21 2jxx s GLN 25 N -2.72 1.92 -0.22 1.69 1.03 -1.26 -2.79 119.66 117.31 2jxx s GLN 25 Ca -0.05 -1.04 -0.09 0.00 0.04 0.00 0.00 55.36 54.22 2jxx s GLN 25 Cb 0.01 -2.00 -0.04 0.00 0.03 0.00 0.00 33.01 31.00 2jxx s GLN 25 CO 0.16 0.53 0.11 -0.51 -2.54 0.00 0.00 175.29 173.04 2jxx s LEU 26 N -1.00 3.84 -0.73 2.60 1.02 0.22 -4.89 118.68 119.75 2jxx s LEU 26 Ca 0.11 0.02 -0.27 0.00 0.02 0.00 0.00 54.13 54.01 2jxx s LEU 26 Cb -0.10 -2.01 0.03 0.00 0.02 0.00 0.00 46.19 44.13 2jxx s LEU 26 CO 0.01 0.07 1.27 -1.10 0.02 0.00 0.00 176.35 176.62 2jxx s GLN 27 N 1.00 3.22 -0.14 1.70 1.11 -1.26 -1.46 119.66 123.83 2jxx s GLN 27 Ca 0.05 -0.20 -0.00 0.00 0.01 0.00 0.00 55.36 55.22 2jxx s GLN 27 Cb -0.14 -4.17 -0.01 0.00 -1.01 0.00 0.00 33.01 27.68 2jxx s GLN 27 CO 0.03 -2.11 -0.13 -0.51 0.01 0.00 0.00 175.29 172.59 2jxx s LEU 28 N 5.66 2.71 -0.13 2.90 1.43 -0.63 -0.57 118.68 130.04 2jxx s LEU 28 Ca 0.36 -0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 52.97 2jxx s LEU 28 Cb -0.08 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 2jxx s LEU 28 CO 0.16 0.15 0.33 -0.13 0.23 0.00 0.00 176.35 177.08 2jxx s ARG 29 N 0.47 4.17 -0.09 1.70 0.52 -0.86 -1.44 118.95 123.41 2jxx s ARG 29 Ca -0.09 0.18 0.03 0.00 -0.52 0.00 0.00 55.73 55.33 2jxx s ARG 29 Cb -0.16 -3.38 0.01 0.00 0.52 0.00 0.00 34.95 31.93 2jxx s ARG 29 CO 0.04 0.32 -0.20 0.08 0.02 0.00 0.00 175.30 175.57 2jxx s VAL 30 N 0.19 1.72 -0.06 3.52 1.01 0.25 -0.92 120.40 126.12 2jxx s VAL 30 Ca 0.19 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.37 2jxx s VAL 30 Cb -0.14 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.74 2jxx s VAL 30 CO 0.06 0.49 -0.11 -1.10 0.00 0.00 0.00 175.10 174.43 2jxx s GLN 31 N 0.51 1.55 0.36 2.72 -0.21 -0.53 -0.92 119.66 123.14 2jxx s GLN 31 Ca -0.16 -0.38 -0.05 0.00 0.02 0.00 0.00 55.36 54.79 2jxx s GLN 31 Cb -0.17 -1.31 0.08 0.00 1.00 0.00 0.00 33.01 32.62 2jxx s GLN 31 CO 0.06 0.03 0.49 0.41 -2.12 0.00 0.00 175.29 174.16 2jxx n GLY 32 N 3.77 -0.91 0.19 3.09 0.00 -1.13 -0.98 105.19 109.22 2jxx n GLY 32 Ca -0.23 -1.74 0.09 0.00 0.00 0.00 0.00 46.02 44.14 2jxx n GLY 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jxx n LYS 33 N -2.02 -0.04 -2.84 1.61 5.02 0.04 -3.36 118.16 116.57 2jxx n LYS 33 Ca 0.06 0.81 -0.43 0.00 -2.02 0.00 0.00 58.31 56.74 2jxx n LYS 33 Cb 0.23 -1.31 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 2jxx n LYS 33 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2jxx s GLU 34 N -5.34 3.75 0.54 1.97 0.41 -1.26 -4.93 118.70 113.84 2jxx s GLU 34 Ca -0.07 0.43 0.33 0.00 -0.41 0.00 0.00 54.97 55.25 2jxx s GLU 34 Cb 0.16 -3.83 1.36 0.00 -1.78 0.00 0.00 34.13 30.04 2jxx s GLU 34 CO 0.43 -0.99 1.98 1.57 -0.49 0.00 0.00 175.26 177.75 2jxx h LYS 35 N 8.62 0.00 -0.25 1.61 2.10 -1.91 -1.85 116.57 124.89 2jxx h LYS 35 Ca -0.24 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.36 2jxx h LYS 35 Cb 1.08 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.40 2jxx h LYS 35 CO 0.98 0.00 -0.06 1.25 -2.00 0.00 0.00 179.45 179.62 2jxx h HIS 36 N 0.00 0.40 -0.61 0.07 2.76 -1.91 -3.37 115.15 112.49 2jxx h HIS 36 Ca 0.00 -0.04 -0.27 0.00 -2.20 0.00 0.00 60.37 57.86 2jxx h HIS 36 Cb 0.50 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.31 2jxx h HIS 36 CO 0.00 0.45 0.74 -1.14 -1.30 0.00 0.00 177.93 176.68 2jxx s GLN 37 N -4.86 2.42 -0.31 5.26 2.00 -0.70 -4.92 119.66 118.55 2jxx s GLN 37 Ca -0.07 -0.45 -0.06 0.00 -2.00 0.00 0.00 55.36 52.79 2jxx s GLN 37 Cb 0.15 -5.08 0.02 0.00 0.80 0.00 0.00 33.01 28.91 2jxx s GLN 37 CO 0.75 -3.68 0.08 0.99 -0.50 0.00 0.00 175.29 172.93 2jxx s THR 38 N 10.92 3.79 -0.19 -0.34 2.01 -1.26 -2.85 115.64 127.72 2jxx s THR 38 Ca 0.72 -0.91 -0.00 0.00 0.31 0.00 0.00 61.69 61.80 2jxx s THR 38 Cb -0.06 -3.04 0.05 0.00 0.01 0.00 0.00 72.50 69.46 2jxx s THR 38 CO 0.04 -0.02 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.67 2jxx s LEU 39 N 1.44 1.90 -0.23 4.42 1.98 -0.10 -4.98 118.68 123.11 2jxx s LEU 39 Ca 0.00 -0.83 -0.07 0.00 -2.89 0.00 0.00 54.13 50.35 2jxx s LEU 39 Cb -0.18 -1.00 -0.03 0.00 0.66 0.00 0.00 46.19 45.64 2jxx s LEU 39 CO 0.02 -0.20 0.05 -1.83 -1.89 0.00 0.00 176.35 172.50 2jxx s GLU 40 N 1.56 3.66 0.04 1.98 -1.05 -1.26 -0.58 118.70 123.05 2jxx s GLU 40 Ca -0.01 -0.48 0.04 0.00 -0.15 0.00 0.00 54.97 54.37 2jxx s GLU 40 Cb -0.16 -3.24 -0.02 0.00 -0.44 0.00 0.00 34.13 30.26 2jxx s GLU 40 CO -0.07 -0.10 -0.12 0.54 0.95 0.00 0.00 175.26 176.45 2jxx s VAL 41 N 1.35 0.93 -0.41 1.83 0.11 -0.52 -4.99 120.40 118.69 2jxx s VAL 41 Ca 0.05 -1.02 -0.21 0.00 -2.93 0.00 0.00 61.98 57.87 2jxx s VAL 41 Cb -0.15 -0.88 0.02 0.00 -1.53 0.00 0.00 36.38 33.84 2jxx s VAL 41 CO 0.03 -0.12 0.66 -0.44 -3.33 0.00 0.00 175.10 171.90 2jxx s SER 42 N -1.28 6.37 -0.20 3.54 0.01 -1.26 -1.61 113.70 119.28 2jxx s SER 42 Ca -0.02 -0.13 -0.02 0.00 1.31 0.00 0.00 55.95 57.09 2jxx s SER 42 Cb -0.08 -2.33 -0.00 0.00 0.21 0.00 0.00 66.02 63.81 2jxx s SER 42 CO 0.01 -0.74 -0.10 -0.22 0.41 0.00 0.00 173.24 172.60 2jxx s LEU 43 N 2.86 2.64 0.46 2.44 2.96 -0.53 -4.93 118.68 124.59 2jxx s LEU 43 Ca 0.24 -0.46 -0.21 0.00 -0.22 0.00 0.00 54.13 53.48 2jxx s LEU 43 Cb -0.14 -1.64 -0.09 0.00 0.50 0.00 0.00 46.19 44.82 2jxx s LEU 43 CO 0.18 0.01 1.04 -0.44 -1.32 0.00 0.00 176.35 175.82 2jxx s SER 44 N 1.28 6.45 0.19 3.68 0.01 -1.26 -0.61 113.70 123.45 2jxx s SER 44 Ca 0.03 1.95 0.21 0.00 1.31 0.00 0.00 55.95 59.45 2jxx s SER 44 Cb -0.14 -2.57 0.89 0.00 0.21 0.00 0.00 66.02 64.41 2jxx s SER 44 CO -0.05 -0.71 1.65 -2.11 0.41 0.00 0.00 173.24 172.43 2jxx n ARG 45 N -0.76 0.15 -0.00 12.44 1.85 -1.12 -1.72 116.66 127.50 2jxx n ARG 45 Ca 0.08 0.38 0.11 0.00 -1.00 0.00 0.00 57.85 57.42 2jxx n ARG 45 Cb 0.52 -1.78 -0.16 0.00 -1.05 0.00 0.00 32.46 29.99 2jxx n ARG 45 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2jxx n ASP 46 N -2.05 0.08 -4.74 2.89 5.75 -1.26 -4.18 116.55 113.04 2jxx n ASP 46 Ca 0.02 -0.02 -0.40 0.00 -0.01 0.00 0.00 54.79 54.39 2jxx n ASP 46 Cb 0.21 1.87 -0.05 0.00 -1.03 0.00 0.00 41.12 42.13 2jxx n ASP 46 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2jxx s SER 47 N -4.51 7.13 0.73 -1.12 0.01 -0.70 -5.01 113.70 110.24 2jxx s SER 47 Ca -0.07 1.36 -0.11 0.00 1.31 0.00 0.00 55.95 58.44 2jxx s SER 47 Cb 0.14 -2.44 0.03 0.00 0.21 0.00 0.00 66.02 63.96 2jxx s SER 47 CO 0.90 -0.01 1.08 -2.84 0.41 0.00 0.00 173.24 172.78 2jxx s PRO 48 N 0.16 2.57 0.52 12.44 0.02 -1.26 -4.34 135.00 145.10 2jxx s PRO 48 Ca 0.38 1.11 0.25 0.00 0.02 0.00 0.00 61.00 62.76 2jxx s PRO 48 Cb -0.20 -1.94 1.36 0.00 0.02 0.00 0.00 34.50 33.75 2jxx s PRO 48 CO 0.21 -1.39 1.96 -0.07 -0.33 0.00 0.00 177.00 177.38 2jxx h LEU 49 N -0.84 0.06 -1.03 -5.54 -0.00 -1.10 -2.12 115.31 104.74 2jxx h LEU 49 Ca -0.44 0.00 0.19 0.00 -0.00 0.00 0.00 57.88 57.63 2jxx h LEU 49 Cb 1.22 -0.01 -0.10 0.00 -0.00 0.00 0.00 40.66 41.77 2jxx h LEU 49 CO 0.54 0.03 0.61 0.07 -0.00 0.00 0.00 178.44 179.69 2jxx h LYS 50 N 0.07 0.75 -0.12 1.13 5.09 -1.63 0.25 116.57 122.10 2jxx h LYS 50 Ca 0.31 -0.05 -0.12 0.00 0.09 0.00 0.00 60.65 60.88 2jxx h LYS 50 Cb 1.13 -0.17 -0.01 0.00 0.10 0.00 0.00 32.23 33.28 2jxx h LYS 50 CO -0.02 0.50 -0.45 0.00 -2.09 0.00 0.00 179.45 177.38 2jxx h THR 51 N 0.77 1.32 -0.28 0.07 1.03 -1.68 -1.52 112.91 112.63 2jxx h THR 51 Ca 0.57 -1.63 -0.17 0.00 -0.01 0.00 0.00 66.41 65.17 2jxx h THR 51 Cb 0.88 1.73 -0.00 0.00 -1.07 0.00 0.00 68.15 69.69 2jxx h THR 51 CO -0.36 0.49 -0.51 0.25 -0.01 0.00 0.00 175.52 175.38 2jxx h LEU 52 N 0.24 0.87 -0.74 0.00 6.46 -1.39 -2.45 115.31 118.30 2jxx h LEU 52 Ca 0.02 -0.45 0.02 0.00 -0.12 0.00 0.00 57.88 57.36 2jxx h LEU 52 Cb 0.90 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 40.54 2jxx h LEU 52 CO 0.07 1.22 0.48 0.24 -0.62 0.00 0.00 178.44 179.82 2jxx h MET 53 N 0.61 0.91 -0.68 1.25 2.86 -0.72 -0.98 114.93 118.19 2jxx h MET 53 Ca 0.02 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2jxx h MET 53 Cb 1.09 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.51 2jxx h MET 53 CO 0.11 0.60 0.37 0.77 1.06 0.00 0.00 176.91 179.82 2jxx h SER 54 N 0.94 0.85 -0.23 1.22 0.02 -1.24 -2.29 113.55 112.82 2jxx h SER 54 Ca 0.29 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 2jxx h SER 54 Cb -0.02 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 2jxx h SER 54 CO -0.10 0.70 -0.16 -0.74 -1.14 0.00 0.00 176.83 175.40 2jxx h HIS 55 N 0.93 0.61 0.28 3.45 6.17 -0.92 -1.86 115.15 123.81 2jxx h HIS 55 Ca 0.24 -0.16 -0.00 0.00 0.71 0.00 0.00 60.37 61.15 2jxx h HIS 55 Cb 0.04 -0.13 -0.01 0.00 2.52 0.00 0.00 27.41 29.83 2jxx h HIS 55 CO -0.00 0.82 -0.22 -0.92 0.71 0.00 0.00 177.93 178.31 2jxx h TYR 56 N 0.22 -0.57 -0.60 5.26 5.03 -1.19 -2.44 116.97 122.68 2jxx h TYR 56 Ca 0.05 -0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.30 2jxx h TYR 56 Cb 0.68 0.21 -0.02 0.00 1.55 0.00 0.00 36.73 39.15 2jxx h TYR 56 CO 0.07 -0.33 0.15 1.05 -1.32 0.00 0.00 178.16 177.78 2jxx h GLU 57 N -0.50 0.96 -0.62 1.82 4.11 -1.40 -2.68 114.58 116.27 2jxx h GLU 57 Ca -0.02 -0.23 0.04 0.00 0.07 0.00 0.00 59.36 59.22 2jxx h GLU 57 Cb 0.44 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 2jxx h GLU 57 CO -0.01 0.88 0.36 0.93 0.07 0.00 0.00 179.01 181.24 2jxx h GLU 58 N 0.88 0.66 -0.19 1.06 5.08 -1.37 0.18 114.58 120.87 2jxx h GLU 58 Ca 0.19 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 2jxx h GLU 58 Cb 0.35 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.38 2jxx h GLU 58 CO 0.00 0.44 -0.43 0.00 -1.00 0.00 0.00 179.01 178.02 2jxx h ALA 59 N 1.30 -0.57 -0.86 3.43 0.00 -1.07 -2.84 119.26 118.65 2jxx h ALA 59 Ca 0.27 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.68 2jxx h ALA 59 Cb 0.11 0.82 -0.27 0.00 0.00 0.00 0.00 17.79 18.45 2jxx h ALA 59 CO -0.15 -0.92 0.49 -1.33 0.00 0.00 0.00 179.25 177.35 2jxx n MET 60 N -5.43 2.35 -3.94 0.00 2.81 -1.22 -4.95 117.12 106.74 2jxx n MET 60 Ca -0.03 -3.18 -0.25 0.00 -1.81 0.00 0.00 57.70 52.42 2jxx n MET 60 Cb 0.36 -2.14 -0.02 0.00 -0.71 0.00 0.00 33.22 30.71 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 -1.06 -0.23 1.27 3.03 0.00 -1.07 -4.90 105.19 102.22 2jxx n GLY 61 Ca 0.55 0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.75 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 -4.39 3.63 -4.57 0.99 7.99 0.61 -4.87 117.00 116.38 2jxx n LEU 62 Ca -0.30 -1.84 -0.25 0.00 -0.01 0.00 0.00 56.01 53.61 2jxx n LEU 62 Cb 0.68 -0.60 -0.06 0.00 -0.11 0.00 0.00 43.42 43.32 2jxx n LEU 62 CO 0.75 0.46 1.37 -0.94 -1.51 0.00 0.00 177.39 177.52 2jxx s SER 63 N -0.42 4.82 0.00 -1.43 1.04 -1.25 -2.00 113.70 114.46 2jxx s SER 63 Ca 0.30 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.68 2jxx s SER 63 Cb 0.23 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.77 2jxx s SER 63 CO 0.09 -3.18 0.00 0.61 0.98 0.00 0.00 173.24 171.74 2jxx n GLY 64 N 6.35 4.47 3.35 7.32 0.00 -1.26 -5.08 105.19 120.35 2jxx n GLY 64 Ca 0.43 -0.72 -0.45 0.00 0.00 0.00 0.00 46.02 45.28 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 2.94 0.16 1.61 1.81 -0.85 -5.08 118.95 119.55 2jxx s ARG 65 Ca 0.00 -1.49 -0.19 0.00 -1.72 0.00 0.00 55.73 52.33 2jxx s ARG 65 Cb 0.00 -4.16 -0.08 0.00 -0.45 0.00 0.00 34.95 30.26 2jxx s ARG 65 CO 0.00 -1.13 0.65 0.21 -0.68 0.00 0.00 175.30 174.35 2jxx s LYS 66 N 1.60 4.20 0.12 3.54 2.47 -1.26 -4.76 119.74 125.65 2jxx s LYS 66 Ca 0.04 0.77 0.07 0.00 -1.56 0.00 0.00 55.97 55.28 2jxx s LYS 66 Cb -0.26 -3.01 -0.04 0.00 -1.46 0.00 0.00 37.83 33.06 2jxx s LYS 66 CO 0.05 0.49 -0.16 -0.48 0.16 0.00 0.00 175.35 175.41 2jxx s LEU 67 N -1.69 2.37 0.50 5.43 -0.00 -1.26 -5.01 118.68 119.02 2jxx s LEU 67 Ca 0.38 -0.77 -0.11 0.00 -0.00 0.00 0.00 54.13 53.62 2jxx s LEU 67 Cb -0.18 -0.64 -0.06 0.00 -0.00 0.00 0.00 46.19 45.31 2jxx s LEU 67 CO 0.21 -0.08 0.89 -0.44 -0.00 0.00 0.00 176.35 176.92 2jxx s SER 68 N -2.29 6.44 -0.08 1.48 0.01 -0.23 -4.91 113.70 114.12 2jxx s SER 68 Ca 0.08 1.29 0.03 0.00 1.31 0.00 0.00 55.95 58.65 2jxx s SER 68 Cb -0.07 -2.40 0.01 0.00 0.21 0.00 0.00 66.02 63.78 2jxx s SER 68 CO 0.04 -0.59 -0.16 -0.36 0.41 0.00 0.00 173.24 172.57 2jxx s PHE 69 N -2.69 1.88 -0.01 2.43 0.40 -1.26 -1.59 117.98 117.14 2jxx s PHE 69 Ca 0.54 -0.77 0.03 0.00 -0.60 0.00 0.00 56.93 56.13 2jxx s PHE 69 Cb -0.10 -1.33 -0.01 0.00 0.51 0.00 0.00 43.02 42.09 2jxx s PHE 69 CO 0.39 -0.36 -0.11 -0.06 0.70 0.00 0.00 175.22 175.78 2jxx s PHE 70 N 0.65 1.02 -0.19 0.36 0.40 -0.63 -2.34 117.98 117.24 2jxx s PHE 70 Ca -0.14 -0.20 -0.01 0.00 -0.60 0.00 0.00 56.93 55.97 2jxx s PHE 70 Cb -0.16 -0.66 0.05 0.00 0.51 0.00 0.00 43.02 42.76 2jxx s PHE 70 CO 0.04 -0.03 -0.00 0.12 0.70 0.00 0.00 175.22 176.05 2jxx s PHE 71 N -0.20 1.44 -1.26 0.36 5.36 -0.38 -0.61 117.98 122.68 2jxx s PHE 71 Ca 0.03 -1.05 -0.00 0.00 -0.96 0.00 0.00 56.93 54.94 2jxx s PHE 71 Cb -0.05 -1.19 0.00 0.00 -0.34 0.00 0.00 43.02 41.44 2jxx s PHE 71 CO -0.00 -0.63 0.04 -3.47 -1.46 0.00 0.00 175.22 169.70 2jxx n ASP 72 N 4.94 -4.46 0.00 6.13 2.03 -1.26 -1.26 116.55 122.67 2jxx n ASP 72 Ca -0.10 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2jxx n ASP 72 Cb 0.47 -3.76 0.00 0.00 -0.72 0.00 0.00 41.12 37.11 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 -0.89 3.09 3.75 0.27 0.00 -1.26 -5.05 105.19 105.10 2jxx n GLY 73 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.23 3.22 -0.31 2.61 2.01 -0.39 -5.01 115.64 115.55 2jxx s THR 74 Ca 0.00 1.12 -0.21 0.00 0.31 0.00 0.00 61.69 62.91 2jxx s THR 74 Cb 0.00 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 2jxx s THR 74 CO 0.00 0.23 0.67 -0.75 -0.69 0.00 0.00 174.62 174.08 2jxx s LYS 75 N -0.99 3.91 -0.49 4.92 2.47 -1.26 -1.25 119.74 127.04 2jxx s LYS 75 Ca 0.50 0.36 -0.29 0.00 -1.56 0.00 0.00 55.97 54.99 2jxx s LYS 75 Cb -0.35 -3.73 0.03 0.00 -1.46 0.00 0.00 37.83 32.31 2jxx s LYS 75 CO 0.43 -0.60 1.18 -0.51 0.16 0.00 0.00 175.35 176.01 2jxx s LEU 76 N 2.70 3.59 0.17 5.43 2.01 -0.99 -4.91 118.68 126.69 2jxx s LEU 76 Ca 0.27 0.44 0.09 0.00 0.01 0.00 0.00 54.13 54.94 2jxx s LEU 76 Cb -0.15 -3.48 -0.09 0.00 0.01 0.00 0.00 46.19 42.48 2jxx s LEU 76 CO 0.12 -1.32 1.35 -1.28 1.01 0.00 0.00 176.35 176.23 2jxx h SER 77 N 9.47 0.00 0.00 2.29 0.87 -1.95 -3.42 113.55 120.81 2jxx h SER 77 Ca -0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 2jxx h SER 77 Cb 1.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 2jxx h SER 77 CO 1.14 0.85 0.00 0.61 -0.53 0.00 0.00 176.83 178.89 2jxx n GLY 78 N 1.21 3.37 0.29 5.77 0.00 -1.26 -4.97 105.19 109.60 2jxx n GLY 78 Ca 0.00 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 1.40 -3.13 1.61 1.74 -1.26 -1.81 116.66 115.21 2jxx n ARG 79 Ca 0.00 -0.59 -0.33 0.00 -0.77 0.00 0.00 57.85 56.16 2jxx n ARG 79 Cb 0.00 -1.42 -0.06 0.00 -1.02 0.00 0.00 32.46 29.96 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 -1.94 4.06 0.09 5.56 1.03 -1.26 -4.90 118.70 121.33 2jxx s GLU 80 Ca 0.36 0.72 0.01 0.00 0.03 0.00 0.00 54.97 56.09 2jxx s GLU 80 Cb 0.18 -2.52 -0.04 0.00 -0.80 0.00 0.00 34.13 30.95 2jxx s GLU 80 CO 0.30 0.20 0.22 -0.51 -1.33 0.00 0.00 175.26 174.14 2jxx s LEU 81 N -2.77 4.31 0.30 1.83 1.43 -1.26 -1.30 118.68 121.22 2jxx s LEU 81 Ca 0.52 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.86 2jxx s LEU 81 Cb -0.12 -2.91 0.47 0.00 0.03 0.00 0.00 46.19 43.67 2jxx s LEU 81 CO 0.18 0.14 1.79 1.55 0.23 0.00 0.00 176.35 180.24 2jxx h PRO 82 N 2.84 0.56 -0.38 1.29 0.13 -1.78 -1.76 132.00 132.90 2jxx h PRO 82 Ca -0.46 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2jxx h PRO 82 Cb 1.17 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 2jxx h PRO 82 CO 0.73 0.66 0.24 0.00 -0.23 0.00 0.00 178.00 179.40 2jxx h ALA 83 N 1.38 1.70 -0.07 -0.56 0.00 -1.81 0.21 119.26 120.11 2jxx h ALA 83 Ca 0.10 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2jxx h ALA 83 Cb 0.49 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2jxx h ALA 83 CO 0.03 0.27 -0.44 0.22 0.00 0.00 0.00 179.25 179.33 2jxx h ASP 84 N 0.52 0.51 0.53 0.00 3.58 -1.66 -3.19 116.42 116.71 2jxx h ASP 84 Ca 0.14 -0.67 -0.03 0.00 0.42 0.00 0.00 57.03 56.89 2jxx h ASP 84 Cb -0.04 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 40.86 2jxx h ASP 84 CO -0.03 1.09 -0.16 -0.07 -2.88 0.00 0.00 179.24 177.20 2jxx h LEU 85 N -0.04 0.00 -1.22 2.28 3.38 -1.17 -3.47 115.31 115.07 2jxx h LEU 85 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2jxx h LEU 85 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2jxx h LEU 85 CO 0.09 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.39 2jxx n GLY 86 N -0.43 0.55 3.71 0.83 0.00 -0.68 -5.11 105.19 104.06 2jxx n GLY 86 Ca -0.01 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.94 2.29 0.21 1.61 1.00 -0.02 -5.04 119.30 117.41 2jxx s MET 87 Ca 0.00 -1.62 -0.15 0.00 0.00 0.00 0.00 55.69 53.92 2jxx s MET 87 Cb 0.00 -2.10 0.01 0.00 0.00 0.00 0.00 34.83 32.74 2jxx s MET 87 CO 0.00 0.10 0.48 -2.00 0.00 0.00 0.00 175.02 173.61 2jxx s GLU 88 N -3.82 1.41 -0.26 2.03 2.12 -1.26 -4.57 118.70 114.35 2jxx s GLU 88 Ca 0.37 -1.02 -0.33 0.00 0.36 0.00 0.00 54.97 54.35 2jxx s GLU 88 Cb -0.02 0.49 -0.09 0.00 0.26 0.00 0.00 34.13 34.77 2jxx s GLU 88 CO 0.22 -0.59 2.15 0.43 -0.54 0.00 0.00 175.26 176.93 2jxx n SER 89 N -0.34 2.73 0.00 -1.70 7.64 -1.26 -2.23 113.62 118.46 2jxx n SER 89 Ca -0.07 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.25 2jxx n SER 89 Cb 0.62 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 2jxx n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jxx n GLY 90 N 5.91 1.15 3.48 0.23 0.00 0.26 -4.80 105.19 111.43 2jxx n GLY 90 Ca 0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 -1.60 -3.83 1.61 9.92 -0.95 -4.71 116.55 117.00 2jxx n ASP 91 Ca 0.00 -0.11 -0.29 0.00 -0.53 0.00 0.00 54.79 53.86 2jxx n ASP 91 Cb 0.00 -1.26 -0.16 0.00 -0.64 0.00 0.00 41.12 39.06 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 -6.85 1.93 0.25 0.64 2.96 -1.26 -2.04 118.68 114.31 2jxx s LEU 92 Ca 0.68 -1.06 -0.07 0.00 -0.22 0.00 0.00 54.13 53.46 2jxx s LEU 92 Cb -0.25 -0.89 -0.06 0.00 0.50 0.00 0.00 46.19 45.50 2jxx s LEU 92 CO 0.65 -0.29 0.53 -0.63 -1.32 0.00 0.00 176.35 175.29 2jxx s ILE 93 N 1.62 5.00 0.30 6.68 1.01 -0.10 -4.71 121.20 131.01 2jxx s ILE 93 Ca -0.02 0.22 0.07 0.00 0.00 0.00 0.00 60.65 60.93 2jxx s ILE 93 Cb -0.18 -3.67 -0.06 0.00 0.01 0.00 0.00 42.46 38.56 2jxx s ILE 93 CO -0.09 -0.18 -0.06 -1.61 0.00 0.00 0.00 174.94 173.00 2jxx s GLU 94 N -3.15 1.64 -0.02 2.79 2.02 0.22 -1.46 118.70 120.75 2jxx s GLU 94 Ca 0.45 -1.84 0.01 0.00 0.02 0.00 0.00 54.97 53.61 2jxx s GLU 94 Cb -0.11 -1.31 0.02 0.00 0.10 0.00 0.00 34.13 32.83 2jxx s GLU 94 CO 0.26 0.06 -0.02 0.08 0.02 0.00 0.00 175.26 175.65 2jxx s VAL 95 N -2.90 0.27 -0.03 2.63 1.01 -0.16 -1.61 120.40 119.62 2jxx s VAL 95 Ca 0.31 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.26 2jxx s VAL 95 Cb 0.04 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 36.13 2jxx s VAL 95 CO 0.13 0.13 -0.01 0.26 0.00 0.00 0.00 175.10 175.62 2jxx s TRP 96 N 0.59 0.34 0.00 5.22 0.52 -0.62 -0.78 118.94 124.21 2jxx s TRP 96 Ca -0.06 -0.03 0.00 0.00 0.02 0.00 0.00 56.10 56.03 2jxx s TRP 96 Cb -0.09 -0.38 0.00 0.00 -1.15 0.00 0.00 33.47 31.84 2jxx s TRP 96 CO -0.01 -0.11 0.00 0.41 0.02 0.00 0.00 176.95 177.26