#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1je3 n GLY 2 N 0.00 5.36 1.18 3.03 0.00 -1.26 -5.04 105.19 108.45 1je3 n GLY 2 Ca 0.00 -1.46 0.10 0.00 0.00 0.00 0.00 46.02 44.67 1je3 n GLY 2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1je3 n SER 3 N 0.00 3.67 -4.83 1.61 3.41 -1.26 -4.97 113.62 111.25 1je3 n SER 3 Ca 0.00 -1.99 -0.33 0.00 -0.26 0.00 0.00 58.87 56.29 1je3 n SER 3 Cb 0.00 -0.40 -0.07 0.00 -0.26 0.00 0.00 64.21 63.48 1je3 n SER 3 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1je3 s SER 4 N -1.06 6.89 0.00 4.04 1.04 -1.26 -5.03 113.70 118.32 1je3 s SER 4 Ca 0.42 1.53 0.00 0.00 0.48 0.00 0.00 55.95 58.38 1je3 s SER 4 Cb 0.22 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.87 1je3 s SER 4 CO 0.29 -0.28 0.47 1.57 0.98 0.00 0.00 173.24 176.27 1je3 n HIS 5 N -0.46 0.00 -1.97 5.02 -0.00 -1.26 -4.82 115.22 111.73 1je3 n HIS 5 Ca 0.05 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.43 1je3 n HIS 5 Cb 0.53 -0.26 0.03 0.00 -0.00 0.00 0.00 29.99 30.29 1je3 n HIS 5 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1je3 s HIS 6 N -1.46 2.64 0.51 1.57 -0.00 -1.26 -5.03 115.29 112.26 1je3 s HIS 6 Ca 0.00 1.55 -0.09 0.00 -0.00 0.00 0.00 55.06 56.52 1je3 s HIS 6 Cb 0.00 -3.22 -0.05 0.00 -0.00 0.00 0.00 32.58 29.32 1je3 s HIS 6 CO 0.00 -1.64 0.87 -1.01 -0.00 0.00 0.00 174.74 172.96 1je3 s HIS 7 N -2.10 3.56 0.58 0.38 0.09 -1.26 -5.04 115.29 111.50 1je3 s HIS 7 Ca 0.69 1.04 -0.19 0.00 -0.00 0.00 0.00 55.06 56.60 1je3 s HIS 7 Cb -0.22 -2.48 -0.04 0.00 -0.00 0.00 0.00 32.58 29.84 1je3 s HIS 7 CO 0.35 -0.37 1.23 -1.01 -0.00 0.00 0.00 174.74 174.95 1je3 s HIS 8 N -2.79 2.38 0.17 1.40 0.09 -1.26 -5.04 115.29 110.23 1je3 s HIS 8 Ca 0.51 1.50 0.08 0.00 -0.00 0.00 0.00 55.06 57.14 1je3 s HIS 8 Cb -0.10 -3.54 -0.04 0.00 -0.00 0.00 0.00 32.58 28.90 1je3 s HIS 8 CO 0.44 -2.32 -0.17 -1.01 -0.00 0.00 0.00 174.74 171.68 1je3 s HIS 9 N -1.53 1.72 -0.47 1.40 4.02 -1.26 -5.11 115.29 114.06 1je3 s HIS 9 Ca 0.76 -0.51 -0.15 0.00 1.02 0.00 0.00 55.06 56.19 1je3 s HIS 9 Cb -0.32 -0.85 0.08 0.00 -1.02 0.00 0.00 32.58 30.46 1je3 s HIS 9 CO 0.36 0.31 0.38 -3.38 1.02 0.00 0.00 174.74 173.43 1je3 s HIS 10 N -2.27 3.26 0.23 1.40 -3.43 -1.26 -5.07 115.29 108.15 1je3 s HIS 10 Ca 0.16 -1.02 0.02 0.00 -0.80 0.00 0.00 55.06 53.42 1je3 s HIS 10 Cb -0.04 -3.17 -0.04 0.00 -1.43 0.00 0.00 32.58 27.90 1je3 s HIS 10 CO 0.06 -0.81 0.39 -1.54 -2.00 0.00 0.00 174.74 170.84 1je3 s SER 11 N 2.58 6.34 0.07 7.38 1.04 -1.26 -5.05 113.70 124.81 1je3 s SER 11 Ca 0.04 0.26 -0.00 0.00 0.48 0.00 0.00 55.95 56.73 1je3 s SER 11 Cb -0.24 -1.95 -0.00 0.00 0.10 0.00 0.00 66.02 63.93 1je3 s SER 11 CO 0.06 -0.08 -0.00 -1.20 0.98 0.00 0.00 173.24 173.00 1je3 n SER 12 N -1.08 0.84 0.00 7.02 7.64 -1.26 -5.12 113.62 121.66 1je3 n SER 12 Ca -0.06 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1je3 n SER 12 Cb 0.55 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1je3 n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1je3 n GLY 13 N 3.47 3.70 3.65 0.23 0.00 -1.26 -5.15 105.19 109.84 1je3 n GLY 13 Ca -0.00 -1.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.08 1je3 n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1je3 s LEU 14 N 0.00 3.20 0.03 0.99 2.01 -1.26 -5.14 118.68 118.50 1je3 s LEU 14 Ca 0.00 -0.67 0.07 0.00 0.01 0.00 0.00 54.13 53.53 1je3 s LEU 14 Cb 0.00 -1.70 -0.02 0.00 0.01 0.00 0.00 46.19 44.47 1je3 s LEU 14 CO 0.00 -0.04 -0.20 0.68 1.01 0.00 0.00 176.35 177.80 1je3 s VAL 15 N -2.34 1.57 -0.52 -1.59 -7.23 -1.26 -5.09 120.40 103.94 1je3 s VAL 15 Ca 0.32 -1.09 -0.28 0.00 -1.81 0.00 0.00 61.98 59.13 1je3 s VAL 15 Cb -0.06 -1.36 -0.00 0.00 0.56 0.00 0.00 36.38 35.52 1je3 s VAL 15 CO 0.20 0.24 1.64 -2.16 -0.31 0.00 0.00 175.10 174.71 1je3 s PRO 16 N -1.00 3.10 0.19 4.82 0.04 -1.26 -4.97 135.00 135.92 1je3 s PRO 16 Ca 0.07 0.73 -0.30 0.00 0.04 0.00 0.00 61.00 61.54 1je3 s PRO 16 Cb -0.08 -4.22 -0.09 0.00 0.04 0.00 0.00 34.50 30.15 1je3 s PRO 16 CO 0.01 -2.16 1.30 1.03 0.04 0.00 0.00 177.00 177.22 1je3 s ARG 17 N 6.01 4.39 0.14 4.56 1.81 -1.26 -4.94 118.95 129.66 1je3 s ARG 17 Ca 0.63 2.03 -0.16 0.00 -1.72 0.00 0.00 55.73 56.52 1je3 s ARG 17 Cb -0.14 -3.20 0.00 0.00 -0.45 0.00 0.00 34.95 31.16 1je3 s ARG 17 CO 0.26 -0.25 1.72 0.78 -0.68 0.00 0.00 175.30 177.13 1je3 h GLY 18 N 5.46 0.63 -1.82 -3.53 0.00 -2.09 -3.44 103.07 98.28 1je3 h GLY 18 Ca -0.44 -0.31 -0.45 0.00 0.00 0.00 0.00 47.33 46.12 1je3 h GLY 18 CO 0.77 0.30 0.02 -0.45 0.00 0.00 0.00 176.54 177.18 1je3 s SER 19 N -5.78 5.43 0.11 0.19 0.15 -1.26 -5.10 113.70 107.44 1je3 s SER 19 Ca -0.13 0.26 0.03 0.00 0.70 0.00 0.00 55.95 56.81 1je3 s SER 19 Cb 0.10 -1.24 -0.04 0.00 -1.71 0.00 0.00 66.02 63.14 1je3 s SER 19 CO 0.74 -1.06 0.14 -1.38 1.20 0.00 0.00 173.24 172.89 1je3 s HIS 20 N -2.80 3.27 -0.16 3.44 -3.43 -1.26 -5.11 115.29 109.23 1je3 s HIS 20 Ca 0.54 0.08 0.01 0.00 -0.80 0.00 0.00 55.06 54.90 1je3 s HIS 20 Cb -0.10 -1.61 0.01 0.00 -1.43 0.00 0.00 32.58 29.44 1je3 s HIS 20 CO 0.40 0.53 -0.19 1.41 -2.00 0.00 0.00 174.74 174.89 1je3 s MET 21 N -2.74 3.05 -0.52 -0.38 1.75 -1.26 -5.09 119.30 114.10 1je3 s MET 21 Ca 0.31 -0.82 -0.16 0.00 -1.25 0.00 0.00 55.69 53.77 1je3 s MET 21 Cb -0.11 -2.55 0.11 0.00 2.84 0.00 0.00 34.83 35.12 1je3 s MET 21 CO 0.24 -0.11 0.50 0.15 -0.65 0.00 0.00 175.02 175.15 1je3 s LYS 22 N 1.06 3.00 -0.08 4.11 1.02 -1.26 -4.86 119.74 122.72 1je3 s LYS 22 Ca -0.01 -1.53 0.13 0.00 0.02 0.00 0.00 55.97 54.58 1je3 s LYS 22 Cb -0.14 -4.24 0.38 0.00 -0.52 0.00 0.00 37.83 33.30 1je3 s LYS 22 CO -0.07 -1.26 1.30 0.27 -0.92 0.00 0.00 175.35 174.67 1je3 n ASN 23 N 5.38 3.22 -1.17 2.83 6.94 -1.26 -4.44 115.26 126.76 1je3 n ASN 23 Ca -0.13 -2.49 0.12 0.00 -0.02 0.00 0.00 54.58 52.06 1je3 n ASN 23 Cb 0.42 -0.36 0.24 0.00 -2.36 0.00 0.00 39.78 37.72 1je3 n ASN 23 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1je3 n ILE 24 N -0.11 0.59 -0.13 1.53 -5.35 -1.26 -4.43 119.36 110.19 1je3 n ILE 24 Ca 0.15 -0.78 -0.27 0.00 -0.27 0.00 0.00 62.75 61.58 1je3 n ILE 24 Cb 0.62 0.86 -0.10 0.00 -1.74 0.00 0.00 39.64 39.28 1je3 n ILE 24 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 1je3 n VAL 25 N 1.48 1.53 -1.49 7.28 0.31 -1.26 -4.87 118.33 121.30 1je3 n VAL 25 Ca 0.20 -0.29 -0.50 0.00 -0.01 0.00 0.00 64.34 63.74 1je3 n VAL 25 Cb 0.60 -1.95 -0.07 0.00 -0.91 0.00 0.00 33.84 31.52 1je3 n VAL 25 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1je3 n PRO 26 N -4.30 1.23 0.00 5.55 -0.02 -1.26 -1.25 135.00 134.96 1je3 n PRO 26 Ca -0.48 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1je3 n PRO 26 Cb 0.82 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1je3 n PRO 26 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1je3 n ASP 27 N 9.45 0.00 -4.23 2.55 -0.08 0.39 -4.79 116.55 119.84 1je3 n ASP 27 Ca 0.38 0.26 -0.13 0.00 -1.51 0.00 0.00 54.79 53.79 1je3 n ASP 27 Cb 0.24 -0.16 -0.10 0.00 2.34 0.00 0.00 41.12 43.44 1je3 n ASP 27 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1je3 s TYR 28 N -0.58 1.15 -0.15 -0.67 5.04 -1.18 -5.01 117.35 115.95 1je3 s TYR 28 Ca 0.00 -1.04 -0.02 0.00 -2.44 0.00 0.00 57.07 53.57 1je3 s TYR 28 Cb 0.00 -0.66 0.05 0.00 0.35 0.00 0.00 41.96 41.70 1je3 s TYR 28 CO 0.00 -0.25 0.02 1.03 -1.34 0.00 0.00 175.55 175.01 1je3 s ARG 29 N -3.93 0.68 -0.89 4.97 3.00 -1.26 -1.83 118.95 119.69 1je3 s ARG 29 Ca 0.23 -0.24 -0.03 0.00 0.00 0.00 0.00 55.73 55.69 1je3 s ARG 29 Cb 0.06 -1.72 0.22 0.00 0.00 0.00 0.00 34.95 33.51 1je3 s ARG 29 CO 0.03 -0.51 0.78 -1.17 0.00 0.00 0.00 175.30 174.43 1je3 s LEU 30 N 1.89 5.66 -1.00 2.53 1.98 0.26 -4.96 118.68 125.05 1je3 s LEU 30 Ca 0.01 -3.56 -0.02 0.00 -2.89 0.00 0.00 54.13 47.67 1je3 s LEU 30 Cb -0.15 -1.95 0.30 0.00 0.66 0.00 0.00 46.19 45.05 1je3 s LEU 30 CO -0.07 -0.23 1.39 0.47 -1.89 0.00 0.00 176.35 176.02 1je3 n ASP 31 N 2.58 6.07 0.00 3.68 8.00 -1.25 0.04 116.55 135.66 1je3 n ASP 31 Ca 0.20 -3.45 0.00 0.00 0.71 0.00 0.00 54.79 52.24 1je3 n ASP 31 Cb 0.38 -1.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.33 1je3 n ASP 31 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1je3 n MET 32 N 1.07 0.00 -4.24 -1.24 2.81 0.20 -4.84 117.12 110.89 1je3 n MET 32 Ca 0.29 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 56.00 1je3 n MET 32 Cb 0.34 0.00 -0.15 0.00 -0.71 0.00 0.00 33.22 32.70 1je3 n MET 32 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1je3 s VAL 33 N 1.92 0.53 -1.23 2.03 1.01 -1.26 -2.88 120.40 120.52 1je3 s VAL 33 Ca 0.00 -0.27 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 1je3 s VAL 33 Cb 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 1je3 s VAL 33 CO 0.00 0.16 2.12 0.61 0.00 0.00 0.00 175.10 177.99 1je3 n GLY 34 N 3.06 3.78 3.28 4.51 0.00 -1.18 -4.82 105.19 113.82 1je3 n GLY 34 Ca -0.15 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 1je3 n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1je3 s GLU 35 N 3.81 1.97 0.12 1.61 2.12 -1.26 -4.82 118.70 122.25 1je3 s GLU 35 Ca 0.51 -0.87 -0.21 0.00 0.36 0.00 0.00 54.97 54.75 1je3 s GLU 35 Cb 0.14 -1.91 -0.05 0.00 0.26 0.00 0.00 34.13 32.57 1je3 s GLU 35 CO -0.02 0.52 1.70 -1.00 -0.54 0.00 0.00 175.26 175.93 1je3 h PRO 36 N 5.52 -0.04 -5.06 4.30 0.13 -2.02 -3.41 132.00 131.42 1je3 h PRO 36 Ca -0.42 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.06 1je3 h PRO 36 Cb 1.13 0.01 -0.27 0.00 0.13 0.00 0.00 31.00 32.00 1je3 h PRO 36 CO 0.47 -0.03 -0.72 0.00 -0.23 0.00 0.00 178.00 177.50 1je3 s PRO 38 N 1.25 3.12 -0.33 0.00 0.02 -1.26 -5.09 135.00 132.70 1je3 s PRO 38 Ca 0.03 0.83 -0.29 0.00 0.02 0.00 0.00 61.00 61.59 1je3 s PRO 38 Cb -0.14 -2.02 0.01 0.00 0.02 0.00 0.00 34.50 32.36 1je3 s PRO 38 CO -0.01 -0.94 1.28 -0.47 -0.33 0.00 0.00 177.00 176.53 1je3 s TYR 39 N -3.12 2.70 -0.16 6.54 5.04 -0.63 -4.83 117.35 122.90 1je3 s TYR 39 Ca 0.57 0.86 -0.14 0.00 -2.44 0.00 0.00 57.07 55.92 1je3 s TYR 39 Cb -0.13 -3.99 -0.11 0.00 0.35 0.00 0.00 41.96 38.09 1je3 s TYR 39 CO 0.54 -1.62 0.07 -1.00 -1.34 0.00 0.00 175.55 172.21 1je3 h PRO 40 N 9.36 0.00 0.00 4.97 0.14 -1.81 -3.36 132.00 141.30 1je3 h PRO 40 Ca -0.25 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.89 1je3 h PRO 40 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.23 1je3 h PRO 40 CO 1.05 0.46 0.01 0.00 0.14 0.00 0.00 178.00 179.66 1je3 n ALA 41 N -3.37 0.95 -0.37 -0.56 0.00 -1.26 -3.01 120.51 112.89 1je3 n ALA 41 Ca -0.16 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.64 1je3 n ALA 41 Cb 0.41 -0.64 0.73 0.00 0.00 0.00 0.00 19.45 19.95 1je3 n ALA 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1je3 h VAL 42 N 0.00 0.37 -0.17 0.00 2.07 -1.98 0.61 116.25 117.15 1je3 h VAL 42 Ca 0.00 -0.02 -0.21 0.00 0.82 0.00 0.00 66.70 67.30 1je3 h VAL 42 Cb 0.01 0.32 0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1je3 h VAL 42 CO 0.00 0.01 -0.70 0.00 0.02 0.00 0.00 177.57 176.90 1je3 h ALA 43 N 1.40 0.31 -0.18 1.67 0.00 -1.89 -2.98 119.26 117.59 1je3 h ALA 43 Ca 0.62 -0.57 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1je3 h ALA 43 Cb 2.35 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 20.07 1je3 h ALA 43 CO -0.06 0.63 -0.11 1.15 0.00 0.00 0.00 179.25 180.87 1je3 h THR 44 N 0.50 0.67 0.27 0.00 2.02 -0.04 0.21 112.91 116.54 1je3 h THR 44 Ca -0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1je3 h THR 44 Cb 1.33 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1je3 h THR 44 CO 0.15 0.00 -0.13 -0.07 0.37 0.00 0.00 175.52 175.84 1je3 h LEU 45 N -0.10 -0.30 -0.69 2.58 3.38 -1.54 -2.25 115.31 116.39 1je3 h LEU 45 Ca 0.10 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1je3 h LEU 45 Cb 0.26 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1je3 h LEU 45 CO -0.25 -0.14 0.00 -1.84 0.09 0.00 0.00 178.44 176.30 1je3 n GLU 46 N -5.21 0.13 -0.05 1.13 0.28 -1.12 -2.32 120.64 113.48 1je3 n GLU 46 Ca -0.10 0.45 -0.16 0.00 -0.16 0.00 0.00 57.16 57.19 1je3 n GLU 46 Cb 0.19 -1.79 -0.06 0.00 1.43 0.00 0.00 31.44 31.21 1je3 n GLU 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1je3 h ALA 47 N 2.21 0.36 -0.47 -1.84 0.00 0.05 -3.18 119.26 116.39 1je3 h ALA 47 Ca 0.00 -0.57 0.09 0.00 0.00 0.00 0.00 54.91 54.44 1je3 h ALA 47 Cb 0.21 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.87 1je3 h ALA 47 CO 0.00 0.67 -0.27 0.52 0.00 0.00 0.00 179.25 180.18 1je3 h MET 48 N 0.59 -0.16 0.99 0.00 2.86 -1.37 0.43 114.93 118.27 1je3 h MET 48 Ca -0.03 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 1je3 h MET 48 Cb 1.31 0.04 0.01 0.00 0.06 0.00 0.00 31.60 33.02 1je3 h MET 48 CO 0.15 -0.11 -0.48 -1.35 1.06 0.00 0.00 176.91 176.18 1je3 h PRO 49 N -0.17 -1.28 -0.98 -0.22 0.11 -1.73 -2.59 132.00 125.14 1je3 h PRO 49 Ca 0.21 0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.41 1je3 h PRO 49 Cb 0.50 0.29 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1je3 h PRO 49 CO -0.57 -0.85 0.00 0.94 -0.21 0.00 0.00 178.00 177.31 1je3 n GLN 50 N -5.64 0.73 0.00 1.05 7.27 -1.02 -4.85 117.38 114.92 1je3 n GLN 50 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.91 1je3 n GLN 50 Cb 0.52 -1.26 0.00 0.00 2.41 0.00 0.00 30.24 31.92 1je3 n GLN 50 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1je3 n LEU 51 N 0.37 0.00 0.00 1.69 -0.00 0.15 -4.97 117.00 114.24 1je3 n LEU 51 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.99 1je3 n LEU 51 Cb 0.27 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.70 1je3 n LEU 51 CO 0.00 -0.45 0.35 0.29 -0.00 0.00 0.00 177.39 177.58 1je3 n LYS 52 N 0.00 0.38 -0.47 1.47 4.76 -1.26 -5.01 118.16 118.03 1je3 n LYS 52 Ca 0.00 -0.82 -0.05 0.00 -2.87 0.00 0.00 58.31 54.57 1je3 n LYS 52 Cb 0.00 1.07 0.02 0.00 -1.84 0.00 0.00 35.03 34.28 1je3 n LYS 52 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1je3 n LYS 53 N -0.32 1.26 0.00 1.97 5.02 -1.26 -4.59 118.16 120.24 1je3 n LYS 53 Ca -0.02 -0.54 0.00 0.00 -2.02 0.00 0.00 58.31 55.73 1je3 n LYS 53 Cb 0.28 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 1je3 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1je3 n GLY 54 N 0.75 1.45 3.64 0.72 0.00 -1.26 -5.06 105.19 105.43 1je3 n GLY 54 Ca 0.11 0.22 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 1je3 n GLY 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1je3 s GLU 55 N -0.13 2.06 0.18 1.61 -1.05 -1.26 -4.43 118.70 115.68 1je3 s GLU 55 Ca 0.00 -2.29 -0.22 0.00 -0.15 0.00 0.00 54.97 52.31 1je3 s GLU 55 Cb 0.00 -1.12 0.06 0.00 -0.44 0.00 0.00 34.13 32.63 1je3 s GLU 55 CO 0.00 -0.40 0.60 0.42 0.95 0.00 0.00 175.26 176.84 1je3 s ILE 56 N -3.02 0.00 -0.28 1.83 1.01 -0.38 -0.89 121.20 119.48 1je3 s ILE 56 Ca 0.15 -0.22 -0.16 0.00 0.00 0.00 0.00 60.65 60.43 1je3 s ILE 56 Cb 0.02 -1.18 0.08 0.00 0.01 0.00 0.00 42.46 41.39 1je3 s ILE 56 CO 0.09 -0.02 0.71 -0.22 0.00 0.00 0.00 174.94 175.50 1je3 s LEU 57 N -2.78 -0.91 -0.20 2.97 2.96 0.24 0.15 118.68 121.09 1je3 s LEU 57 Ca 0.03 1.47 0.00 0.00 -0.22 0.00 0.00 54.13 55.41 1je3 s LEU 57 Cb -0.02 2.35 0.02 0.00 0.50 0.00 0.00 46.19 49.04 1je3 s LEU 57 CO -0.10 -0.23 -0.16 -1.61 -1.32 0.00 0.00 176.35 172.93 1je3 s GLU 58 N 1.59 2.93 -0.24 1.98 2.02 -0.76 -1.63 118.70 124.58 1je3 s GLU 58 Ca -0.10 -0.88 0.01 0.00 0.02 0.00 0.00 54.97 54.02 1je3 s GLU 58 Cb -0.05 -2.69 0.04 0.00 0.10 0.00 0.00 34.13 31.53 1je3 s GLU 58 CO -0.19 -0.27 -0.11 0.08 0.02 0.00 0.00 175.26 174.78 1je3 s VAL 59 N 1.29 2.36 -0.47 2.63 1.01 -0.00 -0.57 120.40 126.64 1je3 s VAL 59 Ca 0.03 -1.30 0.02 0.00 0.00 0.00 0.00 61.98 60.73 1je3 s VAL 59 Cb -0.14 -2.24 0.12 0.00 0.00 0.00 0.00 36.38 34.12 1je3 s VAL 59 CO -0.10 0.17 0.23 -0.69 0.00 0.00 0.00 175.10 174.70 1je3 s VAL 60 N 1.21 2.83 0.29 2.92 1.01 0.11 -1.08 120.40 127.69 1je3 s VAL 60 Ca -0.03 -2.78 0.05 0.00 0.00 0.00 0.00 61.98 59.22 1je3 s VAL 60 Cb -0.17 -2.96 -0.06 0.00 0.00 0.00 0.00 36.38 33.19 1je3 s VAL 60 CO -0.07 -0.74 -0.02 -0.44 0.00 0.00 0.00 175.10 173.84 1je3 s SER 61 N 0.56 2.60 -0.09 3.32 0.01 -1.07 -0.63 113.70 118.41 1je3 s SER 61 Ca 0.14 -1.26 0.04 0.00 1.31 0.00 0.00 55.95 56.18 1je3 s SER 61 Cb -0.22 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 65.86 1je3 s SER 61 CO -0.04 -0.44 -0.20 1.51 0.41 0.00 0.00 173.24 174.48 1je3 s ASP 62 N -3.45 3.44 -0.17 2.44 -4.77 -1.14 -2.12 116.67 110.90 1je3 s ASP 62 Ca 0.32 -0.44 -0.11 0.00 -3.30 0.00 0.00 52.55 49.02 1je3 s ASP 62 Cb 0.06 -1.19 0.06 0.00 -1.09 0.00 0.00 42.92 40.76 1je3 s ASP 62 CO 0.13 0.22 0.43 0.00 0.70 0.00 0.00 175.17 176.65 1je3 h PRO 64 N 6.72 0.00 0.00 0.00 0.13 -1.96 -3.45 132.00 133.44 1je3 h PRO 64 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1je3 h PRO 64 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1je3 h PRO 64 CO 0.27 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.08 1je3 n GLN 65 N -2.78 1.44 -0.00 0.86 3.00 -1.26 -5.05 117.38 113.59 1je3 n GLN 65 Ca 0.02 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.02 1je3 n GLN 65 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.56 1je3 n GLN 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1je3 n SER 66 N -0.86 3.28 -4.70 1.08 2.88 -1.26 -5.02 113.62 109.02 1je3 n SER 66 Ca 0.00 -0.15 -0.42 0.00 -1.33 0.00 0.00 58.87 56.97 1je3 n SER 66 Cb 0.00 1.09 -0.03 0.00 -0.75 0.00 0.00 64.21 64.52 1je3 n SER 66 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1je3 s ILE 67 N -1.93 3.29 -0.19 2.46 1.01 -1.26 -4.99 121.20 119.59 1je3 s ILE 67 Ca -0.00 0.84 -0.16 0.00 0.00 0.00 0.00 60.65 61.33 1je3 s ILE 67 Cb 0.02 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1je3 s ILE 67 CO 0.11 0.03 0.38 0.20 0.00 0.00 0.00 174.94 175.66 1je3 s ASN 68 N 1.58 6.46 0.00 3.58 0.01 -1.26 -5.03 114.94 120.28 1je3 s ASN 68 Ca 0.67 0.54 0.00 0.00 -0.71 0.00 0.00 52.86 53.36 1je3 s ASN 68 Cb -0.37 -2.23 0.00 0.00 0.41 0.00 0.00 41.25 39.07 1je3 s ASN 68 CO 0.30 -0.04 0.13 -3.20 -1.51 0.00 0.00 177.10 172.78 1je3 n ASN 69 N 4.23 0.00 -0.24 -1.22 5.15 -1.26 -3.40 115.26 118.52 1je3 n ASN 69 Ca -0.09 0.13 -0.05 0.00 -0.60 0.00 0.00 54.58 53.97 1je3 n ASN 69 Cb 0.51 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.76 1je3 n ASN 69 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1je3 h ILE 70 N 0.00 0.12 0.00 -1.44 1.08 -1.96 0.34 117.51 115.65 1je3 h ILE 70 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1je3 h ILE 70 Cb 0.00 0.12 -0.00 0.00 -3.07 0.00 0.00 36.82 33.87 1je3 h ILE 70 CO 0.00 0.00 -0.03 1.55 -0.69 0.00 0.00 178.15 178.98 1je3 h PRO 71 N -0.15 0.00 -0.14 2.37 0.13 -1.97 -1.89 132.00 130.35 1je3 h PRO 71 Ca 0.24 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.25 1je3 h PRO 71 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1je3 h PRO 71 CO -0.74 0.03 -0.44 1.25 -0.23 0.00 0.00 178.00 177.87 1je3 h LEU 72 N 0.00 0.35 0.24 1.56 6.46 -0.94 -1.00 115.31 121.99 1je3 h LEU 72 Ca -0.00 -0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.59 1je3 h LEU 72 Cb 0.08 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 39.92 1je3 h LEU 72 CO 0.00 0.75 -0.12 0.44 -0.62 0.00 0.00 178.44 178.90 1je3 h ASP 73 N 0.27 -0.27 -0.50 1.25 3.32 -1.20 -0.42 116.42 118.87 1je3 h ASP 73 Ca 0.02 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 1je3 h ASP 73 Cb 0.88 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 1je3 h ASP 73 CO 0.07 0.07 0.22 0.00 -1.72 0.00 0.00 179.24 177.88 1je3 h ALA 74 N 0.01 1.37 -0.18 3.45 0.00 -1.56 -1.98 119.26 120.36 1je3 h ALA 74 Ca -0.03 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1je3 h ALA 74 Cb 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1je3 h ALA 74 CO 0.05 0.48 -0.24 -0.09 0.00 0.00 0.00 179.25 179.45 1je3 h ARG 75 N 0.77 0.34 0.89 0.00 2.43 -1.10 0.10 114.38 117.81 1je3 h ARG 75 Ca 0.19 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1je3 h ARG 75 Cb 0.15 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1je3 h ARG 75 CO -0.02 0.56 -0.43 -0.97 -1.51 0.00 0.00 179.97 177.61 1je3 h ASN 76 N 0.30 -1.01 0.49 -3.80 -1.24 -0.28 -3.34 115.58 106.70 1je3 h ASN 76 Ca 0.05 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.07 1je3 h ASN 76 Cb 0.60 0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.91 1je3 h ASN 76 CO 0.04 -0.71 -0.24 -0.74 -1.29 0.00 0.00 177.43 174.50 1je3 h HIS 77 N -1.22 -0.61 0.00 0.67 2.76 -1.53 -3.49 115.15 111.72 1je3 h HIS 77 Ca -0.12 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.03 1je3 h HIS 77 Cb 0.91 0.20 0.00 0.00 1.55 0.00 0.00 27.41 30.08 1je3 h HIS 77 CO 0.02 -0.38 0.00 0.41 -1.30 0.00 0.00 177.93 176.68 1je3 n GLY 78 N -0.23 1.48 0.00 5.26 0.00 0.33 -5.12 105.19 106.91 1je3 n GLY 78 Ca -0.08 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1je3 n GLY 78 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1je3 n TYR 79 N 0.00 -1.42 0.00 1.61 4.19 -1.06 -5.03 117.16 115.45 1je3 n TYR 79 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1je3 n TYR 79 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 1je3 n TYR 79 CO 0.00 0.00 0.00 2.41 0.91 0.00 0.00 176.86 180.18 1je3 n THR 80 N -0.57 0.00 -3.89 2.97 -1.04 -1.26 -4.89 114.28 105.59 1je3 n THR 80 Ca 0.00 0.04 -0.35 0.00 -2.04 0.00 0.00 64.05 61.70 1je3 n THR 80 Cb 0.00 -0.24 -0.14 0.00 -1.82 0.00 0.00 70.33 68.13 1je3 n THR 80 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1je3 s VAL 81 N -0.09 3.35 -0.19 12.58 1.01 -0.13 -5.00 120.40 131.93 1je3 s VAL 81 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1je3 s VAL 81 Cb 0.00 -2.62 0.04 0.00 0.00 0.00 0.00 36.38 33.80 1je3 s VAL 81 CO 0.00 0.29 -0.12 -0.76 0.00 0.00 0.00 175.10 174.51 1je3 s LEU 82 N 1.44 2.20 0.04 3.92 2.01 -1.26 -1.75 118.68 125.28 1je3 s LEU 82 Ca 0.04 -0.81 -0.10 0.00 0.01 0.00 0.00 54.13 53.27 1je3 s LEU 82 Cb -0.15 -1.26 0.01 0.00 0.01 0.00 0.00 46.19 44.79 1je3 s LEU 82 CO -0.02 -0.12 0.21 -0.62 1.01 0.00 0.00 176.35 176.81 1je3 s ASP 83 N 1.39 0.02 0.25 2.29 -1.08 -0.90 -5.05 116.67 113.60 1je3 s ASP 83 Ca 0.00 -0.37 0.01 0.00 -0.52 0.00 0.00 52.55 51.68 1je3 s ASP 83 Cb -0.15 0.30 -0.05 0.00 -1.46 0.00 0.00 42.92 41.56 1je3 s ASP 83 CO -0.09 -0.57 0.10 0.27 0.52 0.00 0.00 175.17 175.40 1je3 s ILE 84 N -2.64 0.48 -0.06 4.11 -4.36 -1.26 -1.06 121.20 116.41 1je3 s ILE 84 Ca -0.04 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.12 1je3 s ILE 84 Cb -0.01 -2.62 0.05 0.00 1.25 0.00 0.00 42.46 41.13 1je3 s ILE 84 CO -0.04 0.00 0.50 -1.58 0.24 0.00 0.00 174.94 174.06 1je3 s GLN 85 N -4.04 0.83 0.08 0.37 -0.44 0.12 -4.97 119.66 111.61 1je3 s GLN 85 Ca 0.38 0.14 0.06 0.00 -2.50 0.00 0.00 55.36 53.44 1je3 s GLN 85 Cb 0.08 0.38 -0.03 0.00 -1.64 0.00 0.00 33.01 31.80 1je3 s GLN 85 CO 0.14 -0.23 -0.17 1.14 0.50 0.00 0.00 175.29 176.67 1je3 s GLN 86 N -1.02 0.99 0.00 1.67 -2.07 -1.26 -0.76 119.66 117.21 1je3 s GLN 86 Ca -0.10 -1.01 0.00 0.00 -1.82 0.00 0.00 55.36 52.42 1je3 s GLN 86 Cb -0.03 -1.11 0.00 0.00 -1.09 0.00 0.00 33.01 30.78 1je3 s GLN 86 CO 0.06 0.26 0.00 -0.25 -1.32 0.00 0.00 175.29 174.04 1je3 n ASP 87 N 1.31 0.00 0.00 12.60 9.92 -1.19 -4.99 116.55 134.20 1je3 n ASP 87 Ca -0.20 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.06 1je3 n ASP 87 Cb 0.54 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.02 1je3 n ASP 87 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1je3 n GLY 88 N 4.15 0.40 0.14 0.44 0.00 -1.26 -4.94 105.19 104.13 1je3 n GLY 88 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1je3 n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1je3 n PRO 89 N 0.00 1.19 -4.13 1.61 -0.04 -1.26 -4.88 135.00 127.49 1je3 n PRO 89 Ca 0.00 -0.28 -0.14 0.00 -0.04 0.00 0.00 63.50 63.04 1je3 n PRO 89 Cb 0.00 -1.36 -0.06 0.00 -0.04 0.00 0.00 33.50 32.03 1je3 n PRO 89 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1je3 s THR 90 N -1.96 0.00 -0.06 0.52 -4.23 -1.26 -4.67 115.64 103.98 1je3 s THR 90 Ca 0.33 -1.73 -0.05 0.00 -1.18 0.00 0.00 61.69 59.06 1je3 s THR 90 Cb 0.16 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.52 1je3 s THR 90 CO 0.26 0.00 0.16 -0.51 -0.54 0.00 0.00 174.62 173.99 1je3 s ILE 91 N -3.57 -0.00 -0.07 2.99 2.07 -0.90 -3.17 121.20 118.55 1je3 s ILE 91 Ca 0.33 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.61 1je3 s ILE 91 Cb 0.02 -0.23 0.00 0.00 0.13 0.00 0.00 42.46 42.38 1je3 s ILE 91 CO 0.17 0.00 -0.19 -0.60 -1.91 0.00 0.00 174.94 172.41 1je3 s ARG 92 N 0.11 2.23 0.20 3.50 6.06 0.06 -2.59 118.95 128.51 1je3 s ARG 92 Ca -0.00 -0.69 0.10 0.00 -2.50 0.00 0.00 55.73 52.64 1je3 s ARG 92 Cb -0.01 -1.82 -0.04 0.00 0.06 0.00 0.00 34.95 33.13 1je3 s ARG 92 CO 0.00 0.20 -0.20 0.71 -2.50 0.00 0.00 175.30 173.51 1je3 s TYR 93 N 0.22 2.04 -0.11 5.12 2.02 -0.24 0.15 117.35 126.56 1je3 s TYR 93 Ca -0.10 -0.42 -0.20 0.00 -0.37 0.00 0.00 57.07 55.98 1je3 s TYR 93 Cb -0.15 -0.98 0.05 0.00 -0.40 0.00 0.00 41.96 40.48 1je3 s TYR 93 CO 0.05 0.46 0.50 -0.48 -1.57 0.00 0.00 175.55 174.50 1je3 s LEU 94 N -2.90 0.10 0.08 -1.29 2.34 -0.22 -0.82 118.68 115.97 1je3 s LEU 94 Ca 0.21 0.69 0.04 0.00 0.06 0.00 0.00 54.13 55.12 1je3 s LEU 94 Cb -0.06 1.81 -0.03 0.00 -0.56 0.00 0.00 46.19 47.35 1je3 s LEU 94 CO 0.09 -0.36 -0.11 0.27 -1.06 0.00 0.00 176.35 175.18 1je3 s ILE 95 N -0.55 0.95 0.32 1.48 -5.25 -0.65 -2.11 121.20 115.40 1je3 s ILE 95 Ca -0.07 -1.47 -0.12 0.00 -0.99 0.00 0.00 60.65 58.00 1je3 s ILE 95 Cb -0.03 -1.18 0.02 0.00 2.95 0.00 0.00 42.46 44.22 1je3 s ILE 95 CO 0.04 -0.44 0.61 0.00 -1.79 0.00 0.00 174.94 173.37 1je3 s GLN 96 N -2.32 1.91 0.00 0.37 -2.07 -0.72 0.79 119.66 117.62 1je3 s GLN 96 Ca 0.01 -1.42 0.00 0.00 -1.82 0.00 0.00 55.36 52.14 1je3 s GLN 96 Cb -0.06 0.53 0.00 0.00 -1.09 0.00 0.00 33.01 32.40 1je3 s GLN 96 CO 0.01 -0.84 0.43 1.17 -1.32 0.00 0.00 175.29 174.73