#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j35 s PRO 3 N -2.49 2.26 0.28 0.00 0.02 -1.26 -4.86 135.00 128.95 1j35 s PRO 3 Ca 0.20 1.79 -0.30 0.00 0.02 0.00 0.00 61.00 62.71 1j35 s PRO 3 Cb -0.09 -1.84 -0.12 0.00 0.02 0.00 0.00 34.50 32.46 1j35 s PRO 3 CO 0.11 -1.75 1.49 -1.13 -0.33 0.00 0.00 177.00 175.39 1j35 n SER 4 N -2.53 3.34 0.00 2.53 3.41 -1.26 -1.20 113.62 117.90 1j35 n SER 4 Ca 0.14 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.90 1j35 n SER 4 Cb 0.50 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 1j35 n SER 4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j35 n GLY 5 N 1.93 2.89 3.92 5.00 0.00 -1.26 -5.06 105.19 112.60 1j35 n GLY 5 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1j35 n GLY 5 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1j35 s TRP 6 N -2.76 3.48 -0.05 1.61 0.52 -0.34 -4.81 118.94 116.59 1j35 s TRP 6 Ca 0.00 0.46 0.05 0.00 0.02 0.00 0.00 56.10 56.63 1j35 s TRP 6 Cb 0.00 -1.95 -0.02 0.00 -1.15 0.00 0.00 33.47 30.35 1j35 s TRP 6 CO 0.00 0.31 -0.19 -1.12 0.02 0.00 0.00 176.95 175.98 1j35 s SER 7 N -3.11 3.64 -0.06 2.95 0.01 0.15 -4.79 113.70 112.50 1j35 s SER 7 Ca 0.40 -0.32 -0.14 0.00 1.31 0.00 0.00 55.95 57.21 1j35 s SER 7 Cb -0.11 -0.76 -0.05 0.00 0.21 0.00 0.00 66.02 65.31 1j35 s SER 7 CO 0.29 0.31 0.36 -0.55 0.41 0.00 0.00 173.24 174.06 1j35 s SER 8 N -0.55 6.66 -0.18 2.44 0.15 -1.26 0.73 113.70 121.69 1j35 s SER 8 Ca 0.08 0.79 -0.06 0.00 0.70 0.00 0.00 55.95 57.45 1j35 s SER 8 Cb -0.11 -2.22 0.08 0.00 -1.71 0.00 0.00 66.02 62.06 1j35 s SER 8 CO 0.01 0.25 0.37 -0.47 1.20 0.00 0.00 173.24 174.60 1j35 s TYR 9 N -0.53 -0.68 -0.94 3.44 5.04 -0.14 -4.99 117.35 118.54 1j35 s TYR 9 Ca 0.21 1.35 -0.16 0.00 -2.44 0.00 0.00 57.07 56.03 1j35 s TYR 9 Cb -0.15 0.20 0.02 0.00 0.35 0.00 0.00 41.96 42.38 1j35 s TYR 9 CO 0.10 -0.44 0.59 0.39 -1.34 0.00 0.00 175.55 174.85 1j35 n GLU 10 N 5.37 -0.85 -0.25 4.97 1.02 -1.26 -1.69 120.64 127.95 1j35 n GLU 10 Ca -0.08 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1j35 n GLU 10 Cb 0.50 -2.10 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 1j35 n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j35 n GLY 11 N -1.79 2.20 3.43 0.62 0.00 -1.26 -5.01 105.19 103.38 1j35 n GLY 11 Ca -0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 1j35 n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j35 s HIS 12 N -3.02 2.04 -0.07 1.61 3.76 -0.68 -5.09 115.29 113.83 1j35 s HIS 12 Ca 0.00 -0.51 0.01 0.00 -0.15 0.00 0.00 55.06 54.40 1j35 s HIS 12 Cb 0.00 -1.00 -0.03 0.00 1.11 0.00 0.00 32.58 32.66 1j35 s HIS 12 CO 0.00 0.49 -0.07 0.00 -0.85 0.00 0.00 174.74 174.30 1j35 s TYR 14 N -0.74 1.42 -0.13 0.00 1.51 0.22 -1.40 117.35 118.23 1j35 s TYR 14 Ca 0.11 -0.36 -0.05 0.00 -1.01 0.00 0.00 57.07 55.76 1j35 s TYR 14 Cb -0.11 -0.84 0.06 0.00 -0.11 0.00 0.00 41.96 40.95 1j35 s TYR 14 CO 0.01 0.05 0.28 0.21 -1.11 0.00 0.00 175.55 174.99 1j35 s LYS 15 N -1.14 0.19 0.15 -0.62 2.20 -0.80 0.34 119.74 120.06 1j35 s LYS 15 Ca 0.04 0.70 -0.19 0.00 -0.36 0.00 0.00 55.97 56.16 1j35 s LYS 15 Cb -0.08 -0.04 -0.07 0.00 -1.51 0.00 0.00 37.83 36.13 1j35 s LYS 15 CO 0.01 -0.24 0.64 -1.25 -0.36 0.00 0.00 175.35 174.16 1j35 s PRO 16 N 2.01 4.22 -0.08 4.03 0.04 -1.26 -0.57 135.00 143.38 1j35 s PRO 16 Ca -0.03 0.78 0.02 0.00 0.04 0.00 0.00 61.00 61.81 1j35 s PRO 16 Cb -0.11 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.38 1j35 s PRO 16 CO -0.09 0.52 -0.13 -0.06 0.04 0.00 0.00 177.00 177.28 1j35 s PHE 17 N -1.32 1.65 -0.89 0.56 0.08 0.30 -4.98 117.98 113.38 1j35 s PHE 17 Ca 0.36 -0.69 0.03 0.00 0.12 0.00 0.00 56.93 56.75 1j35 s PHE 17 Cb -0.18 -1.21 0.17 0.00 -0.57 0.00 0.00 43.02 41.23 1j35 s PHE 17 CO 0.21 -0.37 0.78 0.36 -0.10 0.00 0.00 175.22 176.10 1j35 n LYS 18 N 4.04 1.81 -2.93 0.44 0.00 -1.26 -2.01 118.16 118.25 1j35 n LYS 18 Ca -0.20 -0.66 -0.37 0.00 -0.00 0.00 0.00 58.31 57.07 1j35 n LYS 18 Cb 0.51 -1.64 -0.06 0.00 -0.00 0.00 0.00 35.03 33.84 1j35 n LYS 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1j35 s LEU 19 N -0.60 4.38 -0.45 -5.58 1.43 -1.26 -4.84 118.68 111.76 1j35 s LEU 19 Ca 0.12 1.65 -0.17 0.00 -1.03 0.00 0.00 54.13 54.70 1j35 s LEU 19 Cb 0.09 -3.74 0.04 0.00 0.03 0.00 0.00 46.19 42.61 1j35 s LEU 19 CO 0.04 0.01 0.44 -0.31 0.23 0.00 0.00 176.35 176.76 1j35 s TYR 20 N -1.51 3.18 0.12 0.29 2.02 -1.26 -3.05 117.35 117.15 1j35 s TYR 20 Ca 0.45 -0.59 0.00 0.00 -0.37 0.00 0.00 57.07 56.56 1j35 s TYR 20 Cb -0.19 -3.05 -0.04 0.00 -0.40 0.00 0.00 41.96 38.28 1j35 s TYR 20 CO 0.23 -0.78 0.01 0.15 -1.57 0.00 0.00 175.55 173.60 1j35 s LYS 21 N 2.03 0.91 0.83 -0.62 1.02 -0.79 -4.71 119.74 118.41 1j35 s LYS 21 Ca 0.09 -1.41 -0.12 0.00 0.02 0.00 0.00 55.97 54.55 1j35 s LYS 21 Cb -0.20 0.05 0.09 0.00 -0.52 0.00 0.00 37.83 37.25 1j35 s LYS 21 CO 0.11 -0.17 1.14 0.95 -0.92 0.00 0.00 175.35 176.46 1j35 s THR 22 N -3.87 2.31 0.20 2.17 -4.23 -1.24 -1.04 115.64 109.94 1j35 s THR 22 Ca 0.20 0.10 -0.11 0.00 -1.18 0.00 0.00 61.69 60.69 1j35 s THR 22 Cb 0.07 -2.98 0.13 0.00 1.34 0.00 0.00 72.50 71.05 1j35 s THR 22 CO -0.00 -0.13 1.86 -0.25 -0.54 0.00 0.00 174.62 175.55 1j35 h TRP 23 N -1.17 0.87 0.24 3.99 7.01 -1.64 -0.16 115.95 125.10 1j35 h TRP 23 Ca -0.48 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.53 1j35 h TRP 23 Cb 1.31 -0.29 -0.00 0.00 -2.10 0.00 0.00 29.16 28.08 1j35 h TRP 23 CO 0.35 0.56 -0.13 -0.44 -2.79 0.00 0.00 178.44 175.99 1j35 h ASP 24 N 0.93 -0.32 -0.16 2.65 3.45 -1.93 -0.28 116.42 120.77 1j35 h ASP 24 Ca 0.25 0.02 -0.05 0.00 0.43 0.00 0.00 57.03 57.68 1j35 h ASP 24 Cb -0.09 0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 1j35 h ASP 24 CO -0.05 -0.22 -0.03 0.44 -1.57 0.00 0.00 179.24 177.81 1j35 h ASP 25 N -0.35 0.40 -0.00 6.45 3.32 -1.89 -1.43 116.42 122.92 1j35 h ASP 25 Ca -0.03 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 1j35 h ASP 25 Cb 0.28 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1j35 h ASP 25 CO 0.04 0.49 -0.00 0.00 -1.72 0.00 0.00 179.24 178.05 1j35 h ALA 26 N 1.56 0.01 -0.48 3.45 0.00 -0.76 0.06 119.26 123.10 1j35 h ALA 26 Ca 0.09 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1j35 h ALA 26 Cb 0.32 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1j35 h ALA 26 CO 0.01 -0.28 0.23 1.49 0.00 0.00 0.00 179.25 180.69 1j35 h GLU 27 N -0.40 0.43 -0.58 0.00 4.57 -0.90 -0.80 114.58 116.91 1j35 h GLU 27 Ca 0.00 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1j35 h GLU 27 Cb 0.42 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 1j35 h GLU 27 CO 0.00 0.29 0.27 -0.09 -1.18 0.00 0.00 179.01 178.30 1j35 h ARG 28 N 0.45 0.83 -0.89 1.92 1.12 -1.23 -1.76 114.38 114.82 1j35 h ARG 28 Ca 0.21 -0.13 -0.00 0.00 -1.11 0.00 0.00 59.98 58.95 1j35 h ARG 28 Cb 0.14 -0.15 -0.04 0.00 -0.01 0.00 0.00 29.97 29.91 1j35 h ARG 28 CO -0.16 0.68 0.55 0.35 -3.11 0.00 0.00 179.97 178.29 1j35 h PHE 29 N 0.78 1.15 -0.59 2.20 3.04 -0.46 -2.31 116.94 120.76 1j35 h PHE 29 Ca 0.20 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.10 1j35 h PHE 29 Cb 0.13 -0.38 -0.02 0.00 2.56 0.00 0.00 35.95 38.23 1j35 h PHE 29 CO -0.00 0.76 0.16 0.00 -2.02 0.00 0.00 178.31 177.20 1j35 h THR 31 N 0.84 0.00 -0.00 0.00 1.35 -0.77 -1.45 112.91 112.88 1j35 h THR 31 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.05 1j35 h THR 31 Cb 0.33 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1j35 h THR 31 CO -0.00 0.00 -0.83 -0.62 -0.25 0.00 0.00 175.52 173.82 1j35 n GLU 32 N -2.58 0.75 0.10 4.72 1.02 -0.58 -4.37 120.64 119.70 1j35 n GLU 32 Ca -0.02 -0.15 0.12 0.00 -0.02 0.00 0.00 57.16 57.09 1j35 n GLU 32 Cb 0.08 -1.41 0.24 0.00 -0.02 0.00 0.00 31.44 30.33 1j35 n GLU 32 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1j35 h GLN 33 N 0.37 0.00 -1.74 3.49 1.08 -0.80 -3.47 115.11 114.04 1j35 h GLN 33 Ca 0.00 0.00 0.15 0.00 -1.45 0.00 0.00 58.65 57.35 1j35 h GLN 33 Cb 0.49 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 27.73 1j35 h GLN 33 CO 0.00 0.00 0.63 0.00 -0.95 0.00 0.00 178.83 178.51 1j35 s ALA 34 N -3.17 -1.95 0.06 3.87 0.00 -1.24 -5.05 121.76 114.28 1j35 s ALA 34 Ca 0.07 1.42 -0.31 0.00 0.00 0.00 0.00 51.96 53.15 1j35 s ALA 34 Cb 0.11 -0.23 -0.08 0.00 0.00 0.00 0.00 23.12 22.93 1j35 s ALA 34 CO 0.68 -0.51 1.61 0.21 0.00 0.00 0.00 175.76 177.74 1j35 s LYS 35 N -2.15 4.21 0.00 0.00 2.20 -1.26 -1.35 119.74 121.39 1j35 s LYS 35 Ca 0.04 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.92 1j35 s LYS 35 Cb -0.01 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1j35 s LYS 35 CO -0.04 -0.70 0.00 0.41 -0.36 0.00 0.00 175.35 174.65 1j35 n GLY 36 N 3.93 0.43 3.78 5.54 0.00 -1.26 -4.97 105.19 112.64 1j35 n GLY 36 Ca 0.15 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1j35 n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j35 s GLY 37 N -2.58 2.61 0.28 -0.02 0.00 -0.46 -4.67 107.32 102.47 1j35 s GLY 37 Ca 0.00 0.76 -0.21 0.00 0.00 0.00 0.00 44.72 45.27 1j35 s GLY 37 CO 0.00 1.12 0.76 0.30 0.00 0.00 0.00 173.10 175.28 1j35 s HIS 38 N -1.82 -0.15 0.63 1.90 3.76 -0.80 -3.36 115.29 115.45 1j35 s HIS 38 Ca 0.70 -0.32 -0.17 0.00 -0.15 0.00 0.00 55.06 55.12 1j35 s HIS 38 Cb -0.22 0.72 -0.02 0.00 1.11 0.00 0.00 32.58 34.17 1j35 s HIS 38 CO 0.25 -1.22 1.17 -0.51 -0.85 0.00 0.00 174.74 173.58 1j35 s LEU 39 N -2.94 3.54 0.29 0.89 1.43 -1.26 -0.18 118.68 120.44 1j35 s LEU 39 Ca 0.12 2.25 -0.30 0.00 -1.03 0.00 0.00 54.13 55.17 1j35 s LEU 39 Cb -0.05 -4.58 -0.12 0.00 0.03 0.00 0.00 46.19 41.46 1j35 s LEU 39 CO 0.07 -1.68 1.44 0.55 0.23 0.00 0.00 176.35 176.96 1j35 n VAL 40 N -1.98 1.31 -3.87 -1.59 3.14 -0.04 -4.21 118.33 111.07 1j35 n VAL 40 Ca 0.12 -0.33 -0.36 0.00 -2.96 0.00 0.00 64.34 60.82 1j35 n VAL 40 Cb 0.51 -1.68 -0.14 0.00 -1.06 0.00 0.00 33.84 31.47 1j35 n VAL 40 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1j35 s SER 41 N 0.17 4.56 -0.59 6.55 1.04 -1.26 -0.12 113.70 124.05 1j35 s SER 41 Ca 0.63 -0.58 -0.19 0.00 0.48 0.00 0.00 55.95 56.29 1j35 s SER 41 Cb -0.57 -1.77 0.11 0.00 0.10 0.00 0.00 66.02 63.89 1j35 s SER 41 CO 0.53 -0.09 0.69 -0.63 0.98 0.00 0.00 173.24 174.72 1j35 s ILE 42 N 1.45 4.86 -2.05 -1.02 1.01 -1.26 -4.91 121.20 119.29 1j35 s ILE 42 Ca 0.04 -1.06 0.20 0.00 0.00 0.00 0.00 60.65 59.82 1j35 s ILE 42 Cb -0.16 -4.48 0.37 0.00 0.01 0.00 0.00 42.46 38.20 1j35 s ILE 42 CO -0.02 -1.11 1.31 -0.62 0.00 0.00 0.00 174.94 174.50 1j35 n GLU 43 N 6.22 2.31 -3.54 2.79 1.02 -1.26 -4.98 120.64 123.20 1j35 n GLU 43 Ca -0.10 -2.12 -0.08 0.00 -0.02 0.00 0.00 57.16 54.84 1j35 n GLU 43 Cb 0.42 -1.44 -0.02 0.00 -0.02 0.00 0.00 31.44 30.39 1j35 n GLU 43 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1j35 s SER 44 N -1.31 -0.37 0.35 1.62 1.04 -1.26 -5.02 113.70 108.75 1j35 s SER 44 Ca 0.33 -0.08 0.05 0.00 0.48 0.00 0.00 55.95 56.73 1j35 s SER 44 Cb 0.19 0.45 0.64 0.00 0.10 0.00 0.00 66.02 67.40 1j35 s SER 44 CO 0.27 -0.74 1.90 0.00 0.98 0.00 0.00 173.24 175.64 1j35 h ALA 45 N 2.00 1.42 -0.24 5.32 0.00 -1.99 -1.24 119.26 124.53 1j35 h ALA 45 Ca -0.24 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1j35 h ALA 45 Cb 1.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1j35 h ALA 45 CO 0.31 0.41 0.03 0.78 0.00 0.00 0.00 179.25 180.78 1j35 h GLY 46 N 0.80 0.43 1.48 0.00 0.00 -1.99 -0.56 103.07 103.23 1j35 h GLY 46 Ca 0.11 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 1j35 h GLY 46 CO 0.00 0.27 -0.00 -2.09 0.00 0.00 0.00 176.54 174.73 1j35 h GLU 47 N 0.20 0.64 -0.74 4.80 4.81 -1.91 -0.58 114.58 121.81 1j35 h GLU 47 Ca 0.07 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1j35 h GLU 47 Cb 0.35 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1j35 h GLU 47 CO 0.01 0.67 0.30 0.00 -0.73 0.00 0.00 179.01 179.25 1j35 h ALA 48 N 1.39 0.96 -0.54 2.92 0.00 -0.88 -0.27 119.26 122.83 1j35 h ALA 48 Ca 0.13 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1j35 h ALA 48 Cb 0.39 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1j35 h ALA 48 CO 0.01 0.58 -0.10 -0.44 0.00 0.00 0.00 179.25 179.30 1j35 h ASP 49 N 1.06 1.03 -0.36 0.00 3.45 -0.56 -0.69 116.42 120.35 1j35 h ASP 49 Ca 0.25 -0.35 -0.02 0.00 0.43 0.00 0.00 57.03 57.33 1j35 h ASP 49 Cb 0.21 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.68 1j35 h ASP 49 CO -0.02 1.14 0.14 0.15 -1.57 0.00 0.00 179.24 179.08 1j35 h PHE 50 N 0.91 0.54 -0.61 4.55 3.04 -0.73 -2.10 116.94 122.54 1j35 h PHE 50 Ca 0.14 -0.04 -0.08 0.00 3.98 0.00 0.00 57.97 61.97 1j35 h PHE 50 Cb 0.68 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 39.00 1j35 h PHE 50 CO 0.05 0.50 0.08 0.28 -2.02 0.00 0.00 178.31 177.19 1j35 h VAL 51 N 0.43 1.26 -0.67 1.41 2.07 -0.93 -1.62 116.25 118.20 1j35 h VAL 51 Ca 0.12 -1.04 0.01 0.00 0.82 0.00 0.00 66.70 66.61 1j35 h VAL 51 Cb 0.19 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1j35 h VAL 51 CO -0.01 0.38 0.43 0.00 0.02 0.00 0.00 177.57 178.40 1j35 h ALA 52 N 1.01 0.85 -0.58 1.67 0.00 -0.99 0.30 119.26 121.53 1j35 h ALA 52 Ca 0.18 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1j35 h ALA 52 Cb 0.46 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1j35 h ALA 52 CO 0.02 0.24 0.11 0.37 0.00 0.00 0.00 179.25 179.98 1j35 h GLN 53 N 0.88 0.95 -0.62 0.00 5.75 -1.18 -0.52 115.11 120.37 1j35 h GLN 53 Ca 0.25 -0.25 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1j35 h GLN 53 Cb -0.07 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.34 1j35 h GLN 53 CO -0.07 0.90 0.39 1.25 -2.65 0.00 0.00 178.83 178.65 1j35 h LEU 54 N 0.85 0.73 -0.28 -2.39 5.85 -0.75 -2.24 115.31 117.08 1j35 h LEU 54 Ca 0.18 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1j35 h LEU 54 Cb 0.40 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1j35 h LEU 54 CO 0.01 0.56 -0.01 0.58 -0.34 0.00 0.00 178.44 179.23 1j35 h VAL 55 N 0.83 1.26 -0.41 1.05 2.07 -0.70 -2.68 116.25 117.68 1j35 h VAL 55 Ca 0.22 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1j35 h VAL 55 Cb -0.05 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1j35 h VAL 55 CO -0.04 0.31 0.27 0.74 0.02 0.00 0.00 177.57 178.87 1j35 h THR 56 N 0.28 1.07 -0.00 2.57 2.02 -0.93 0.12 112.91 118.04 1j35 h THR 56 Ca 0.08 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1j35 h THR 56 Cb 0.45 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1j35 h THR 56 CO 0.02 0.09 -0.23 -0.62 0.37 0.00 0.00 175.52 175.15 1j35 n GLU 57 N -4.48 0.50 0.00 6.66 -0.58 -0.86 -4.17 120.64 117.71 1j35 n GLU 57 Ca 0.04 -0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 1j35 n GLU 57 Cb 0.10 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 1j35 n GLU 57 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1j35 n ASN 58 N -1.05 0.17 0.00 1.62 3.02 -0.91 -4.95 115.26 113.16 1j35 n ASN 58 Ca 0.11 -0.85 -0.03 0.00 -0.03 0.00 0.00 54.58 53.78 1j35 n ASN 58 Cb 0.32 0.03 -0.01 0.00 -0.61 0.00 0.00 39.78 39.51 1j35 n ASN 58 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1j35 n ILE 59 N -0.03 1.01 -1.64 2.41 2.08 0.37 -4.71 119.36 118.86 1j35 n ILE 59 Ca 0.00 0.22 0.00 0.00 0.56 0.00 0.00 62.75 63.53 1j35 n ILE 59 Cb 0.17 -1.70 0.00 0.00 -0.75 0.00 0.00 39.64 37.35 1j35 n ILE 59 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1j35 n GLN 60 N -3.58 -0.38 0.00 0.38 0.00 -1.25 -4.94 117.38 107.62 1j35 n GLN 60 Ca -0.06 0.48 0.00 0.00 0.00 0.00 0.00 57.00 57.43 1j35 n GLN 60 Cb 0.25 -0.43 0.00 0.00 0.00 0.00 0.00 30.24 30.06 1j35 n GLN 60 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1j35 n ASN 61 N 1.57 1.78 0.00 2.61 4.05 -1.26 -5.00 115.26 119.02 1j35 n ASN 61 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1j35 n ASN 61 Cb 0.12 0.11 0.00 0.00 1.23 0.00 0.00 39.78 41.24 1j35 n ASN 61 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1j35 n THR 62 N -1.42 0.00 -4.01 -0.44 -1.04 -1.26 -4.91 114.28 101.20 1j35 n THR 62 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1j35 n THR 62 Cb 0.19 -0.18 -0.05 0.00 -1.82 0.00 0.00 70.33 68.48 1j35 n THR 62 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1j35 s LYS 63 N -0.36 1.64 0.42 -2.82 1.02 -1.26 -4.98 119.74 113.40 1j35 s LYS 63 Ca 0.00 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 54.63 1j35 s LYS 63 Cb 0.00 0.47 0.00 0.00 -0.52 0.00 0.00 37.83 37.78 1j35 s LYS 63 CO 0.00 -0.69 0.00 0.43 -0.92 0.00 0.00 175.35 174.17 1j35 n SER 64 N -0.61 -5.85 -4.95 2.83 7.64 -1.26 -4.97 113.62 106.46 1j35 n SER 64 Ca -0.01 1.26 -0.21 0.00 1.01 0.00 0.00 58.87 60.91 1j35 n SER 64 Cb 0.62 -3.33 0.01 0.00 -1.01 0.00 0.00 64.21 60.50 1j35 n SER 64 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1j35 s TYR 65 N -4.76 2.10 -0.21 1.43 1.51 -1.26 -4.73 117.35 111.44 1j35 s TYR 65 Ca 0.00 -0.63 0.01 0.00 -1.01 0.00 0.00 57.07 55.45 1j35 s TYR 65 Cb 0.00 -2.16 0.04 0.00 -0.11 0.00 0.00 41.96 39.74 1j35 s TYR 65 CO 0.00 -0.55 -0.13 0.08 -1.11 0.00 0.00 175.55 173.85 1j35 s VAL 66 N -2.58 1.86 0.47 0.71 1.01 0.01 -3.38 120.40 118.50 1j35 s VAL 66 Ca 0.50 -1.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.10 1j35 s VAL 66 Cb -0.05 -1.88 -0.08 0.00 0.00 0.00 0.00 36.38 34.37 1j35 s VAL 66 CO 0.30 0.21 1.32 0.79 0.00 0.00 0.00 175.10 177.71 1j35 n TRP 67 N 4.61 2.24 -4.37 5.22 5.03 -0.85 -0.40 117.44 128.92 1j35 n TRP 67 Ca -0.16 0.46 -0.19 0.00 3.03 0.00 0.00 57.50 60.64 1j35 n TRP 67 Cb 0.46 -2.38 -0.10 0.00 -1.03 0.00 0.00 31.31 28.26 1j35 n TRP 67 CO 0.00 0.00 0.00 0.96 -0.03 0.00 0.00 177.69 178.62 1j35 s ILE 68 N -1.24 1.41 -2.00 -0.99 -4.36 -1.14 -3.88 121.20 109.01 1j35 s ILE 68 Ca 0.64 -2.10 0.10 0.00 -0.26 0.00 0.00 60.65 59.03 1j35 s ILE 68 Cb -0.46 -2.31 0.28 0.00 1.25 0.00 0.00 42.46 41.21 1j35 s ILE 68 CO 0.55 -0.38 1.33 0.61 0.24 0.00 0.00 174.94 177.29 1j35 n GLY 69 N -0.47 -0.94 3.65 6.27 0.00 0.83 -4.72 105.19 109.81 1j35 n GLY 69 Ca -0.06 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 1j35 n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j35 s LEU 70 N -1.32 4.11 0.27 0.99 2.96 -1.26 -4.98 118.68 119.45 1j35 s LEU 70 Ca 0.15 0.44 -0.18 0.00 -0.22 0.00 0.00 54.13 54.32 1j35 s LEU 70 Cb 0.07 -2.49 0.01 0.00 0.50 0.00 0.00 46.19 44.28 1j35 s LEU 70 CO 0.11 -0.12 0.63 0.00 -1.32 0.00 0.00 176.35 175.66 1j35 s ARG 71 N 1.58 1.70 -0.18 1.98 1.70 -1.26 -3.50 118.95 120.97 1j35 s ARG 71 Ca 0.18 -1.08 -0.29 0.00 -0.47 0.00 0.00 55.73 54.06 1j35 s ARG 71 Cb -0.15 0.56 -0.01 0.00 -0.57 0.00 0.00 34.95 34.78 1j35 s ARG 71 CO 0.08 -0.75 1.19 0.08 -1.08 0.00 0.00 175.30 174.82 1j35 s VAL 72 N -3.95 4.40 0.03 4.99 1.01 -0.99 -4.95 120.40 120.94 1j35 s VAL 72 Ca 0.15 1.69 -0.27 0.00 0.00 0.00 0.00 61.98 63.56 1j35 s VAL 72 Cb -0.04 -4.09 -0.17 0.00 0.00 0.00 0.00 36.38 32.08 1j35 s VAL 72 CO 0.08 -0.14 1.36 1.56 0.00 0.00 0.00 175.10 177.95 1j35 h GLN 73 N 7.95 -0.51 0.00 2.72 4.20 -2.00 -3.45 115.11 124.02 1j35 h GLN 73 Ca -0.25 0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.33 1j35 h GLN 73 Cb 1.09 0.11 0.10 0.00 0.30 0.00 0.00 27.48 29.09 1j35 h GLN 73 CO 0.97 -0.22 -0.08 0.41 -0.67 0.00 0.00 178.83 179.23 1j35 n GLY 74 N -0.67 -2.70 0.32 3.46 0.00 -1.26 -4.93 105.19 99.41 1j35 n GLY 74 Ca -0.10 -0.88 0.09 0.00 0.00 0.00 0.00 46.02 45.13 1j35 n GLY 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1j35 n LYS 75 N -2.56 1.73 -2.40 1.61 4.81 -1.26 -5.04 118.16 115.04 1j35 n LYS 75 Ca 0.06 -2.69 -0.32 0.00 -0.87 0.00 0.00 58.31 54.50 1j35 n LYS 75 Cb 0.28 -1.60 -0.03 0.00 0.02 0.00 0.00 35.03 33.70 1j35 n LYS 75 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1j35 s GLU 76 N -2.89 3.91 -0.01 1.64 8.01 -1.26 -4.99 118.70 123.11 1j35 s GLU 76 Ca 0.35 1.01 0.11 0.00 0.01 0.00 0.00 54.97 56.45 1j35 s GLU 76 Cb 0.30 -2.13 -0.23 0.00 -4.31 0.00 0.00 34.13 27.77 1j35 s GLU 76 CO 0.04 -0.31 0.79 0.87 0.01 0.00 0.00 175.26 176.66 1j35 h LYS 77 N 0.98 0.01 -3.20 1.61 1.79 -2.02 -3.47 116.57 112.27 1j35 h LYS 77 Ca -0.47 -0.02 -0.16 0.00 -2.18 0.00 0.00 60.65 57.83 1j35 h LYS 77 Cb 1.19 0.01 -0.24 0.00 -1.58 0.00 0.00 32.23 31.61 1j35 h LYS 77 CO 0.61 0.62 -0.42 1.14 -1.08 0.00 0.00 179.45 180.32 1j35 s GLN 78 N -2.62 0.37 -0.16 3.15 0.00 -1.26 -5.00 119.66 114.14 1j35 s GLN 78 Ca -0.04 0.13 -0.02 0.00 -0.00 0.00 0.00 55.36 55.43 1j35 s GLN 78 Cb 0.08 0.17 -0.02 0.00 0.00 0.00 0.00 33.01 33.25 1j35 s GLN 78 CO 0.82 -0.07 -0.08 0.00 0.00 0.00 0.00 175.29 175.97 1j35 n SER 80 N 3.85 -2.85 -4.54 0.00 7.64 -1.26 -4.90 113.62 111.56 1j35 n SER 80 Ca -0.18 -0.35 -0.36 0.00 1.01 0.00 0.00 58.87 58.99 1j35 n SER 80 Cb 0.52 -2.41 -0.11 0.00 -1.01 0.00 0.00 64.21 61.20 1j35 n SER 80 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1j35 s SER 81 N -2.64 5.52 0.15 6.43 0.01 -1.26 -5.09 113.70 116.82 1j35 s SER 81 Ca 0.38 -0.07 0.09 0.00 1.31 0.00 0.00 55.95 57.66 1j35 s SER 81 Cb -0.21 -1.99 -0.04 0.00 0.21 0.00 0.00 66.02 63.99 1j35 s SER 81 CO 0.47 0.02 -0.14 -1.61 0.41 0.00 0.00 173.24 172.39 1j35 s GLU 82 N 1.33 1.91 0.54 12.44 2.02 -1.26 -4.46 118.70 131.21 1j35 s GLU 82 Ca 0.06 -1.24 -0.22 0.00 0.02 0.00 0.00 54.97 53.60 1j35 s GLU 82 Cb -0.15 -2.13 -0.05 0.00 0.10 0.00 0.00 34.13 31.91 1j35 s GLU 82 CO 0.05 0.46 1.30 -1.58 0.02 0.00 0.00 175.26 175.51 1j35 s TRP 83 N -1.45 2.40 0.57 1.61 0.52 -0.57 -4.86 118.94 117.16 1j35 s TRP 83 Ca 0.22 1.42 0.26 0.00 0.02 0.00 0.00 56.10 58.02 1j35 s TRP 83 Cb -0.10 -3.68 1.56 0.00 -1.15 0.00 0.00 33.47 30.10 1j35 s TRP 83 CO 0.13 -2.56 2.10 0.66 0.02 0.00 0.00 176.95 177.30 1j35 h SER 84 N 1.49 0.00 0.51 2.95 4.64 -1.99 0.23 113.55 121.38 1j35 h SER 84 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1j35 h SER 84 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1j35 h SER 84 CO 0.57 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.63 1j35 n ASP 85 N -4.03 0.23 0.00 4.97 3.85 -1.26 -4.86 116.55 115.45 1j35 n ASP 85 Ca 0.02 0.56 0.00 0.00 -0.71 0.00 0.00 54.79 54.66 1j35 n ASP 85 Cb 0.32 -0.61 0.00 0.00 -1.35 0.00 0.00 41.12 39.48 1j35 n ASP 85 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1j35 n GLY 86 N -0.18 0.96 3.86 6.12 0.00 0.82 -5.09 105.19 111.68 1j35 n GLY 86 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1j35 n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j35 s SER 87 N -1.84 6.26 0.49 1.61 1.04 -1.25 -4.81 113.70 115.20 1j35 s SER 87 Ca 0.00 1.46 -0.19 0.00 0.48 0.00 0.00 55.95 57.70 1j35 s SER 87 Cb 0.00 -2.48 -0.09 0.00 0.10 0.00 0.00 66.02 63.55 1j35 s SER 87 CO 0.00 -0.85 0.99 -0.44 0.98 0.00 0.00 173.24 173.92 1j35 s SER 88 N -3.94 6.62 -0.19 7.02 0.01 -1.26 -1.52 113.70 120.45 1j35 s SER 88 Ca 0.56 1.69 -0.17 0.00 1.31 0.00 0.00 55.95 59.34 1j35 s SER 88 Cb -0.11 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 1j35 s SER 88 CO 0.50 -0.59 0.46 0.54 0.41 0.00 0.00 173.24 174.56 1j35 s VAL 89 N -2.34 5.15 0.09 3.43 0.11 -1.26 -4.81 120.40 120.77 1j35 s VAL 89 Ca 0.62 0.85 0.00 0.00 -2.93 0.00 0.00 61.98 60.52 1j35 s VAL 89 Cb -0.11 -3.79 0.00 0.00 -1.53 0.00 0.00 36.38 30.95 1j35 s VAL 89 CO 0.23 0.23 0.00 -1.20 -3.33 0.00 0.00 175.10 171.03 1j35 n SER 90 N 4.51 0.37 -4.76 3.54 7.64 -1.26 -5.04 113.62 118.63 1j35 n SER 90 Ca -0.06 0.14 -0.41 0.00 1.01 0.00 0.00 58.87 59.55 1j35 n SER 90 Cb 0.51 -0.05 -0.04 0.00 -1.01 0.00 0.00 64.21 63.62 1j35 n SER 90 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1j35 s TYR 91 N -1.53 3.42 -0.04 1.43 5.04 -1.26 -5.03 117.35 119.38 1j35 s TYR 91 Ca 0.00 1.57 -0.22 0.00 -2.44 0.00 0.00 57.07 55.98 1j35 s TYR 91 Cb 0.00 -3.41 0.04 0.00 0.35 0.00 0.00 41.96 38.94 1j35 s TYR 91 CO 0.00 -1.01 0.48 -1.83 -1.34 0.00 0.00 175.55 171.85 1j35 s GLU 92 N -1.27 0.83 -0.35 4.97 -1.05 -1.26 -5.09 118.70 115.48 1j35 s GLU 92 Ca 0.47 0.05 0.16 0.00 -0.15 0.00 0.00 54.97 55.50 1j35 s GLU 92 Cb -0.34 0.38 0.43 0.00 -0.44 0.00 0.00 34.13 34.16 1j35 s GLU 92 CO 0.43 -0.24 0.92 -1.71 0.95 0.00 0.00 175.26 175.61 1j35 n ASN 93 N 1.22 1.66 -4.77 0.83 5.15 -1.26 -5.11 115.26 112.98 1j35 n ASN 93 Ca -0.20 -2.87 -0.39 0.00 -0.60 0.00 0.00 54.58 50.52 1j35 n ASN 93 Cb 0.56 -0.54 -0.02 0.00 -0.53 0.00 0.00 39.78 39.26 1j35 n ASN 93 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1j35 s TRP 94 N -3.03 3.02 -0.02 1.20 0.52 -1.26 -4.99 118.94 114.37 1j35 s TRP 94 Ca 0.32 1.49 -0.26 0.00 0.02 0.00 0.00 56.10 57.67 1j35 s TRP 94 Cb 0.43 -3.53 -0.04 0.00 -1.15 0.00 0.00 33.47 29.18 1j35 s TRP 94 CO -0.01 -1.61 0.80 0.42 0.02 0.00 0.00 176.95 176.57 1j35 s ILE 95 N -1.30 4.93 0.27 2.03 1.01 -1.26 -4.94 121.20 121.95 1j35 s ILE 95 Ca 0.55 1.67 0.01 0.00 0.00 0.00 0.00 60.65 62.88 1j35 s ILE 95 Cb -0.35 -4.14 0.26 0.00 0.01 0.00 0.00 42.46 38.24 1j35 s ILE 95 CO 0.45 0.25 1.79 -0.33 0.00 0.00 0.00 174.94 177.09 1j35 h GLU 96 N 6.55 0.75 0.00 2.79 5.08 -1.96 -0.06 114.58 127.73 1j35 h GLU 96 Ca -0.42 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1j35 h GLU 96 Cb 1.21 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1j35 h GLU 96 CO 0.74 0.50 0.00 0.00 -1.00 0.00 0.00 179.01 179.25 1j35 n ALA 97 N -2.38 1.68 0.95 3.43 0.00 -1.26 -2.14 120.51 120.80 1j35 n ALA 97 Ca 0.19 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.77 1j35 n ALA 97 Cb 0.43 -1.32 0.32 0.00 0.00 0.00 0.00 19.45 18.88 1j35 n ALA 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1j35 n GLU 98 N -1.89 0.03 -3.03 0.00 -0.58 -0.04 -4.50 120.64 110.64 1j35 n GLU 98 Ca 0.03 0.01 -0.45 0.00 -0.42 0.00 0.00 57.16 56.33 1j35 n GLU 98 Cb 0.21 -1.52 -0.02 0.00 -0.57 0.00 0.00 31.44 29.53 1j35 n GLU 98 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1j35 s SER 99 N -3.15 6.69 -1.21 1.62 0.15 -0.91 -4.95 113.70 111.95 1j35 s SER 99 Ca 0.11 -2.27 -0.12 0.00 0.70 0.00 0.00 55.95 54.37 1j35 s SER 99 Cb 0.17 -2.35 0.19 0.00 -1.71 0.00 0.00 66.02 62.32 1j35 s SER 99 CO 0.67 -0.92 1.50 0.29 1.20 0.00 0.00 173.24 175.98 1j35 n LYS 100 N 5.82 3.49 -0.55 5.44 5.02 -1.26 -4.54 118.16 131.58 1j35 n LYS 100 Ca 0.22 -3.88 0.09 0.00 -2.02 0.00 0.00 58.31 52.72 1j35 n LYS 100 Cb 0.48 -2.94 0.33 0.00 -0.02 0.00 0.00 35.03 32.88 1j35 n LYS 100 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1j35 n THR 101 N 3.97 1.59 -4.40 -0.18 -2.24 -1.22 -4.02 114.28 107.78 1j35 n THR 101 Ca 0.36 -1.07 -0.26 0.00 -2.27 0.00 0.00 64.05 60.81 1j35 n THR 101 Cb 0.40 0.14 -0.09 0.00 -2.10 0.00 0.00 70.33 68.68 1j35 n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j35 s LEU 103 N -3.76 2.13 0.02 0.00 1.43 -1.23 -0.76 118.68 116.51 1j35 s LEU 103 Ca 0.37 -0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 53.07 1j35 s LEU 103 Cb 0.05 -0.49 -0.02 0.00 0.03 0.00 0.00 46.19 45.77 1j35 s LEU 103 CO 0.20 0.03 0.03 -0.83 0.23 0.00 0.00 176.35 176.01 1j35 s GLY 104 N -0.86 0.21 0.22 -3.19 0.00 -0.58 -2.87 107.32 100.25 1j35 s GLY 104 Ca 0.01 -0.57 -0.16 0.00 0.00 0.00 0.00 44.72 44.00 1j35 s GLY 104 CO 0.01 -0.67 0.65 1.08 0.00 0.00 0.00 173.10 174.17 1j35 s LEU 105 N -1.78 4.26 0.02 0.66 1.02 0.46 -1.19 118.68 122.13 1j35 s LEU 105 Ca -0.10 1.23 0.00 0.00 0.02 0.00 0.00 54.13 55.28 1j35 s LEU 105 Cb -0.05 -3.61 -0.02 0.00 0.02 0.00 0.00 46.19 42.53 1j35 s LEU 105 CO -0.02 -0.01 -0.03 -1.83 0.02 0.00 0.00 176.35 174.47 1j35 s GLU 106 N -2.29 0.29 0.19 1.70 -1.05 -1.26 -0.81 118.70 115.47 1j35 s GLU 106 Ca 0.44 -0.50 -0.13 0.00 -0.15 0.00 0.00 54.97 54.63 1j35 s GLU 106 Cb -0.14 0.02 0.19 0.00 -0.44 0.00 0.00 34.13 33.75 1j35 s GLU 106 CO 0.20 -0.02 1.69 -0.22 0.95 0.00 0.00 175.26 177.86 1j35 h LYS 107 N 4.96 0.14 -0.77 -4.83 3.11 -1.93 -0.47 116.57 116.77 1j35 h LYS 107 Ca -0.31 -0.01 0.22 0.00 -2.81 0.00 0.00 60.65 57.74 1j35 h LYS 107 Cb 1.21 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 32.37 1j35 h LYS 107 CO 0.43 0.09 0.55 0.93 -2.81 0.00 0.00 179.45 178.65 1j35 h GLU 108 N 0.15 0.02 -0.51 1.90 5.08 -1.97 0.30 114.58 119.54 1j35 h GLU 108 Ca 0.25 -0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.36 1j35 h GLU 108 Cb 0.37 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.47 1j35 h GLU 108 CO -0.39 0.02 0.11 0.25 -1.00 0.00 0.00 179.01 177.99 1j35 n THR 109 N -4.32 2.70 -1.45 1.13 -2.24 -0.90 -4.94 114.28 104.26 1j35 n THR 109 Ca 0.16 -2.46 -0.15 0.00 -2.27 0.00 0.00 64.05 59.32 1j35 n THR 109 Cb 0.83 -0.35 -0.07 0.00 -2.10 0.00 0.00 70.33 68.64 1j35 n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j35 n GLY 110 N -1.05 1.49 2.41 3.38 0.00 0.09 -2.37 105.19 109.15 1j35 n GLY 110 Ca 0.39 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 46.20 1j35 n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1j35 n PHE 111 N -2.34 -0.27 0.02 1.61 3.72 -0.24 -4.87 117.46 115.10 1j35 n PHE 111 Ca -0.15 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.26 1j35 n PHE 111 Cb 0.61 -2.96 0.02 0.00 -0.94 0.00 0.00 39.48 36.21 1j35 n PHE 111 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1j35 n ARG 112 N -2.54 1.45 -5.19 -1.08 1.74 -1.00 -4.53 116.66 105.53 1j35 n ARG 112 Ca -0.17 -1.19 -0.30 0.00 -0.77 0.00 0.00 57.85 55.42 1j35 n ARG 112 Cb 0.57 -1.04 -0.16 0.00 -1.02 0.00 0.00 32.46 30.80 1j35 n ARG 112 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1j35 s LYS 113 N -0.66 2.08 -0.38 5.56 -0.14 -1.25 -5.10 119.74 119.85 1j35 s LYS 113 Ca 0.03 -0.85 -0.22 0.00 -1.36 0.00 0.00 55.97 53.57 1j35 s LYS 113 Cb 0.02 -1.92 0.01 0.00 -1.68 0.00 0.00 37.83 34.26 1j35 s LYS 113 CO 0.03 0.46 0.74 -1.58 -0.76 0.00 0.00 175.35 174.24 1j35 s TRP 114 N -0.42 3.10 -0.21 3.18 0.51 -1.26 -4.30 118.94 119.54 1j35 s TRP 114 Ca 0.05 0.42 -0.12 0.00 -2.12 0.00 0.00 56.10 54.33 1j35 s TRP 114 Cb -0.10 -3.36 -0.05 0.00 -0.81 0.00 0.00 33.47 29.14 1j35 s TRP 114 CO 0.00 -0.74 0.21 0.08 -0.51 0.00 0.00 176.95 175.99 1j35 s VAL 115 N 3.01 5.34 -0.05 4.03 1.01 -0.33 -4.87 120.40 128.54 1j35 s VAL 115 Ca 0.29 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 62.30 1j35 s VAL 115 Cb -0.13 -3.55 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 1j35 s VAL 115 CO 0.17 0.36 1.65 0.20 0.00 0.00 0.00 175.10 177.48 1j35 s ASN 116 N 0.76 6.67 0.08 3.32 -0.87 -1.26 -1.53 114.94 122.11 1j35 s ASN 116 Ca 0.11 2.24 -0.03 0.00 -1.57 0.00 0.00 52.86 53.61 1j35 s ASN 116 Cb -0.13 -2.53 -0.03 0.00 -0.02 0.00 0.00 41.25 38.53 1j35 s ASN 116 CO 0.03 -0.92 0.05 0.27 -2.57 0.00 0.00 177.10 173.96 1j35 s ILE 117 N 3.96 0.17 0.10 0.60 -4.36 0.06 -4.91 121.20 116.82 1j35 s ILE 117 Ca 0.73 -1.70 -0.31 0.00 -0.26 0.00 0.00 60.65 59.11 1j35 s ILE 117 Cb -0.33 -1.62 -0.09 0.00 1.25 0.00 0.00 42.46 41.66 1j35 s ILE 117 CO 0.29 -0.78 1.59 -0.47 0.24 0.00 0.00 174.94 175.81 1j35 s TYR 118 N -3.94 2.73 0.50 1.37 5.04 -1.26 -2.05 117.35 119.73 1j35 s TYR 118 Ca 0.11 0.50 0.41 0.00 -2.44 0.00 0.00 57.07 55.65 1j35 s TYR 118 Cb 0.07 -3.91 2.11 0.00 0.35 0.00 0.00 41.96 40.57 1j35 s TYR 118 CO -0.07 -3.52 2.26 0.00 -1.34 0.00 0.00 175.55 172.87 1j35 n GLY 120 N -0.75 -0.50 3.75 0.00 0.00 -1.26 -2.36 105.19 104.08 1j35 n GLY 120 Ca -0.02 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 1j35 n GLY 120 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1j35 s GLN 121 N -1.96 2.18 -0.35 1.61 0.74 -0.87 -4.83 119.66 116.18 1j35 s GLN 121 Ca 0.38 1.35 -0.01 0.00 0.05 0.00 0.00 55.36 57.13 1j35 s GLN 121 Cb 0.19 -1.88 0.08 0.00 1.10 0.00 0.00 33.01 32.51 1j35 s GLN 121 CO 0.31 -1.72 0.10 -0.65 -0.55 0.00 0.00 175.29 172.77 1j35 s GLN 122 N -4.55 2.10 0.22 1.67 -0.21 -1.26 -3.67 119.66 113.95 1j35 s GLN 122 Ca 0.65 -1.60 0.03 0.00 0.02 0.00 0.00 55.36 54.46 1j35 s GLN 122 Cb -0.20 -3.36 -0.05 0.00 1.00 0.00 0.00 33.01 30.40 1j35 s GLN 122 CO 0.51 -0.87 0.00 -0.80 -2.12 0.00 0.00 175.29 172.02 1j35 s ASN 123 N 1.45 1.63 1.06 5.90 0.01 -0.20 -4.55 114.94 120.24 1j35 s ASN 123 Ca 0.03 -1.22 -0.17 0.00 -0.71 0.00 0.00 52.86 50.79 1j35 s ASN 123 Cb -0.21 0.05 0.23 0.00 0.41 0.00 0.00 41.25 41.73 1j35 s ASN 123 CO -0.04 -0.54 1.22 -2.16 -1.51 0.00 0.00 177.10 174.08 1j35 s PRO 124 N -3.89 -0.14 0.23 -0.60 0.04 -1.17 -1.88 135.00 127.59 1j35 s PRO 124 Ca 0.28 -0.24 -0.10 0.00 0.04 0.00 0.00 61.00 60.98 1j35 s PRO 124 Cb 0.06 -1.74 0.04 0.00 0.04 0.00 0.00 34.50 32.90 1j35 s PRO 124 CO 0.08 -2.96 0.52 1.97 0.04 0.00 0.00 177.00 176.64 1j35 n PHE 125 N -4.19 -1.73 -3.98 0.56 -1.74 -0.85 -2.01 117.46 103.52 1j35 n PHE 125 Ca 0.14 -1.10 -0.19 0.00 -0.56 0.00 0.00 57.45 55.74 1j35 n PHE 125 Cb 0.59 0.55 -0.16 0.00 1.52 0.00 0.00 39.48 41.98 1j35 n PHE 125 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1j35 s VAL 126 N -2.41 0.32 0.18 1.97 1.01 -1.25 -0.54 120.40 119.68 1j35 s VAL 126 Ca 0.11 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1j35 s VAL 126 Cb -0.03 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 1j35 s VAL 126 CO 0.07 0.19 0.35 0.00 0.00 0.00 0.00 175.10 175.71 1j35 s GLU 128 N -3.31 0.27 0.00 0.00 2.12 0.74 -1.90 118.70 116.63 1j35 s GLU 128 Ca 0.37 -0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.53 1j35 s GLU 128 Cb -0.11 -0.23 0.00 0.00 0.26 0.00 0.00 34.13 34.05 1j35 s GLU 128 CO 0.29 0.06 0.00 0.00 -0.54 0.00 0.00 175.26 175.07