#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4k n SER 2 N 0.00 -5.04 -4.49 1.61 7.64 -1.26 -4.92 113.62 107.17 1x4k n SER 2 Ca 0.00 -0.71 -0.33 0.00 1.01 0.00 0.00 58.87 58.84 1x4k n SER 2 Cb 0.00 -4.26 0.12 0.00 -1.01 0.00 0.00 64.21 59.07 1x4k n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x4k n SER 3 N -2.91 -1.30 -1.82 6.43 7.64 -1.26 -4.86 113.62 115.54 1x4k n SER 3 Ca 0.01 0.40 -0.16 0.00 1.01 0.00 0.00 58.87 60.14 1x4k n SER 3 Cb 0.55 -1.28 0.06 0.00 -1.01 0.00 0.00 64.21 62.52 1x4k n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4k n GLY 4 N 1.25 3.89 3.56 0.23 0.00 -1.26 -4.89 105.19 107.97 1x4k n GLY 4 Ca 0.09 -0.96 -0.18 0.00 0.00 0.00 0.00 46.02 44.96 1x4k n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4k s SER 5 N 0.01 4.17 -0.16 1.61 0.01 -1.26 -4.40 113.70 113.68 1x4k s SER 5 Ca 0.31 0.02 -0.14 0.00 1.31 0.00 0.00 55.95 57.45 1x4k s SER 5 Cb 0.25 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.89 1x4k s SER 5 CO 0.01 -3.57 -0.28 -0.24 0.41 0.00 0.00 173.24 169.57 1x4k n SER 6 N 17.52 1.80 0.00 2.44 2.88 -1.26 -5.02 113.62 131.98 1x4k n SER 6 Ca 0.44 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 1x4k n SER 6 Cb 0.45 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 1x4k n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4k n GLY 7 N 1.52 2.19 3.91 0.46 0.00 -1.26 -4.87 105.19 107.13 1x4k n GLY 7 Ca -0.11 -1.40 -0.27 0.00 0.00 0.00 0.00 46.02 44.24 1x4k n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4k n GLN 9 N -2.42 1.53 0.09 0.00 1.13 -0.94 -3.58 117.38 113.19 1x4k n GLN 9 Ca 0.03 0.02 -0.03 0.00 -1.94 0.00 0.00 57.00 55.08 1x4k n GLN 9 Cb 0.56 -1.30 -0.02 0.00 0.11 0.00 0.00 30.24 29.60 1x4k n GLN 9 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1x4k h GLU 10 N 0.00 -0.21 -0.25 -1.09 4.57 -1.93 -3.27 114.58 112.40 1x4k h GLU 10 Ca -0.32 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 1x4k h GLU 10 Cb 1.66 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.29 1x4k h GLU 10 CO -0.01 -0.14 0.00 0.00 -1.18 0.00 0.00 179.01 177.68 1x4k n LYS 12 N 0.87 -4.41 -4.49 0.00 4.76 -1.23 -4.96 118.16 108.68 1x4k n LYS 12 Ca 0.17 0.50 -0.32 0.00 -2.87 0.00 0.00 58.31 55.80 1x4k n LYS 12 Cb 0.46 -5.21 -0.11 0.00 -1.84 0.00 0.00 35.03 28.33 1x4k n LYS 12 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1x4k s LYS 13 N -6.66 2.39 -0.06 1.97 -0.14 -1.25 -4.81 119.74 111.19 1x4k s LYS 13 Ca 0.55 -0.82 -0.31 0.00 -1.36 0.00 0.00 55.97 54.03 1x4k s LYS 13 Cb -0.28 -2.40 -0.09 0.00 -1.68 0.00 0.00 37.83 33.37 1x4k s LYS 13 CO 0.87 0.58 2.02 2.41 -0.76 0.00 0.00 175.35 180.46 1x4k n THR 14 N 1.48 0.63 -2.55 2.17 -1.04 -1.26 0.11 114.28 113.81 1x4k n THR 14 Ca -0.15 -0.20 -0.41 0.00 -2.04 0.00 0.00 64.05 61.25 1x4k n THR 14 Cb 0.52 -2.25 -0.03 0.00 -1.82 0.00 0.00 70.33 66.76 1x4k n THR 14 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1x4k s ILE 15 N 5.27 3.80 0.49 12.58 1.01 -1.26 -4.84 121.20 138.26 1x4k s ILE 15 Ca 0.93 -0.11 -0.19 0.00 0.00 0.00 0.00 60.65 61.28 1x4k s ILE 15 Cb -0.49 -4.97 -0.13 0.00 0.01 0.00 0.00 42.46 36.89 1x4k s ILE 15 CO 0.43 -1.88 0.20 0.23 0.00 0.00 0.00 174.94 173.92 1x4k n MET 16 N 9.16 0.23 0.27 2.79 2.81 -1.26 -4.16 117.12 126.97 1x4k n MET 16 Ca 0.17 0.09 0.16 0.00 -1.81 0.00 0.00 57.70 56.31 1x4k n MET 16 Cb 0.50 -1.28 0.68 0.00 -0.71 0.00 0.00 33.22 32.41 1x4k n MET 16 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1x4k h PRO 17 N 0.24 0.00 -2.54 0.03 0.13 -1.94 -3.31 132.00 124.62 1x4k h PRO 17 Ca -0.42 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.06 1x4k h PRO 17 Cb 1.43 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.45 1x4k h PRO 17 CO 0.46 0.04 2.15 0.41 -0.23 0.00 0.00 178.00 180.83 1x4k n GLY 18 N -0.03 4.78 3.60 1.56 0.00 -1.26 -4.86 105.19 108.98 1x4k n GLY 18 Ca 0.00 -1.88 -0.04 0.00 0.00 0.00 0.00 46.02 44.10 1x4k n GLY 18 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x4k s THR 19 N -0.66 0.00 -0.31 2.61 -1.32 -1.25 -5.14 115.64 109.58 1x4k s THR 19 Ca 0.58 -0.02 -0.15 0.00 -1.21 0.00 0.00 61.69 60.89 1x4k s THR 19 Cb 0.23 -1.08 -0.03 0.00 -1.51 0.00 0.00 72.50 70.11 1x4k s THR 19 CO -0.11 0.00 0.36 0.00 -2.21 0.00 0.00 174.62 172.67 1x4k s ARG 20 N -2.44 3.79 0.41 7.08 1.70 -1.26 -5.02 118.95 123.21 1x4k s ARG 20 Ca 0.10 -0.20 0.08 0.00 -0.47 0.00 0.00 55.73 55.23 1x4k s ARG 20 Cb -0.01 -3.73 -0.01 0.00 -0.57 0.00 0.00 34.95 30.63 1x4k s ARG 20 CO -0.05 -0.40 0.43 -1.59 -1.08 0.00 0.00 175.30 172.62 1x4k s LYS 21 N 2.04 2.67 -0.38 3.89 -2.85 -1.26 -3.34 119.74 120.50 1x4k s LYS 21 Ca 0.13 -1.40 -0.03 0.00 -1.00 0.00 0.00 55.97 53.67 1x4k s LYS 21 Cb -0.16 -2.52 0.09 0.00 -2.06 0.00 0.00 37.83 33.18 1x4k s LYS 21 CO 0.11 -0.18 0.16 -1.64 0.10 0.00 0.00 175.35 173.90 1x4k s MET 22 N -4.19 2.16 -0.36 1.78 -1.94 -0.17 -4.92 119.30 111.67 1x4k s MET 22 Ca 0.50 -1.65 -0.23 0.00 -1.71 0.00 0.00 55.69 52.59 1x4k s MET 22 Cb -0.06 -3.51 0.01 0.00 2.01 0.00 0.00 34.83 33.28 1x4k s MET 22 CO 0.29 -0.96 0.80 -1.21 -0.01 0.00 0.00 175.02 173.94 1x4k s GLU 23 N 1.20 3.79 -0.13 2.03 2.02 -1.26 -1.20 118.70 125.14 1x4k s GLU 23 Ca 0.05 0.38 -0.02 0.00 0.02 0.00 0.00 54.97 55.39 1x4k s GLU 23 Cb -0.22 -3.80 0.04 0.00 0.10 0.00 0.00 34.13 30.26 1x4k s GLU 23 CO -0.03 -0.83 0.01 -0.47 0.02 0.00 0.00 175.26 173.96 1x4k s TYR 24 N 3.11 0.89 -1.18 1.61 6.14 0.14 -4.82 117.35 123.24 1x4k s TYR 24 Ca 0.32 -0.53 -0.07 0.00 0.64 0.00 0.00 57.07 57.43 1x4k s TYR 24 Cb -0.13 -0.94 0.01 0.00 0.42 0.00 0.00 41.96 41.32 1x4k s TYR 24 CO 0.16 -0.48 1.03 1.63 0.64 0.00 0.00 175.55 178.54 1x4k n LYS 25 N 5.09 -6.93 0.00 4.97 4.76 -1.26 -2.37 118.16 122.42 1x4k n LYS 25 Ca -0.08 0.73 0.00 0.00 -2.87 0.00 0.00 58.31 56.09 1x4k n LYS 25 Cb 0.49 -5.48 0.00 0.00 -1.84 0.00 0.00 35.03 28.19 1x4k n LYS 25 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x4k n GLY 26 N -1.77 1.88 3.83 0.72 0.00 -1.26 -4.99 105.19 103.61 1x4k n GLY 26 Ca -0.02 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 1x4k n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4k s SER 27 N 0.07 5.15 0.17 1.61 0.01 -1.00 -5.02 113.70 114.69 1x4k s SER 27 Ca 0.00 1.39 0.07 0.00 1.31 0.00 0.00 55.95 58.72 1x4k s SER 27 Cb 0.00 -2.22 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 1x4k s SER 27 CO 0.00 -1.56 -0.14 -0.44 0.41 0.00 0.00 173.24 171.51 1x4k s SER 28 N -3.97 2.33 -0.06 2.44 0.01 -1.26 0.29 113.70 113.47 1x4k s SER 28 Ca 0.59 -0.96 -0.03 0.00 1.31 0.00 0.00 55.95 56.86 1x4k s SER 28 Cb -0.13 -0.10 0.04 0.00 0.21 0.00 0.00 66.02 66.03 1x4k s SER 28 CO 0.54 -0.18 0.14 0.26 0.41 0.00 0.00 173.24 174.42 1x4k s TRP 29 N -2.75 -0.16 0.34 2.43 0.51 -0.34 -2.20 118.94 116.76 1x4k s TRP 29 Ca 0.18 0.47 -0.26 0.00 -2.12 0.00 0.00 56.10 54.36 1x4k s TRP 29 Cb -0.02 -0.07 -0.13 0.00 -0.81 0.00 0.00 33.47 32.44 1x4k s TRP 29 CO 0.05 -0.16 0.93 0.72 -0.51 0.00 0.00 176.95 177.98 1x4k n HIS 30 N 4.07 0.93 -0.25 -1.98 8.25 -1.26 -0.99 115.22 123.99 1x4k n HIS 30 Ca -0.25 0.67 0.30 0.00 -0.26 0.00 0.00 57.72 58.18 1x4k n HIS 30 Cb 0.52 -2.20 0.47 0.00 1.12 0.00 0.00 29.99 29.91 1x4k n HIS 30 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1x4k h GLU 31 N 1.67 0.00 0.00 -0.41 4.11 -1.91 -0.95 114.58 117.09 1x4k h GLU 31 Ca -0.40 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 58.96 1x4k h GLU 31 Cb 1.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1x4k h GLU 31 CO 0.58 0.00 -1.19 0.25 0.07 0.00 0.00 179.01 178.72 1x4k n THR 32 N -3.30 1.49 -0.15 -1.06 -2.24 -1.26 -4.40 114.28 103.36 1x4k n THR 32 Ca 0.25 0.07 0.24 0.00 -2.27 0.00 0.00 64.05 62.34 1x4k n THR 32 Cb 1.56 -2.27 0.37 0.00 -2.10 0.00 0.00 70.33 67.88 1x4k n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x4k n PHE 34 N -3.10 0.14 -0.82 0.00 7.35 -0.49 -4.87 117.46 115.68 1x4k n PHE 34 Ca 0.20 -0.63 -0.30 0.00 -0.76 0.00 0.00 57.45 55.96 1x4k n PHE 34 Cb 1.43 -0.32 0.25 0.00 0.35 0.00 0.00 39.48 41.20 1x4k n PHE 34 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 1x4k s ILE 35 N -0.16 1.52 0.66 -2.13 -5.25 0.23 -4.14 121.20 111.93 1x4k s ILE 35 Ca 0.03 0.00 -0.11 0.00 -0.99 0.00 0.00 60.65 59.58 1x4k s ILE 35 Cb 0.02 -2.33 -0.01 0.00 2.95 0.00 0.00 42.46 43.09 1x4k s ILE 35 CO 0.00 0.00 1.05 0.00 -1.79 0.00 0.00 174.94 174.21 1x4k n HIS 37 N -2.86 0.00 -0.02 0.00 8.25 -1.02 -3.12 115.22 116.45 1x4k n HIS 37 Ca 0.06 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.49 1x4k n HIS 37 Cb 0.56 -0.07 -0.01 0.00 1.12 0.00 0.00 29.99 31.59 1x4k n HIS 37 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1x4k n ARG 38 N -1.11 0.20 0.04 -0.41 0.63 -1.26 -4.70 116.66 110.05 1x4k n ARG 38 Ca 0.06 0.08 0.13 0.00 -0.92 0.00 0.00 57.85 57.20 1x4k n ARG 38 Cb 0.36 -0.77 0.41 0.00 0.45 0.00 0.00 32.46 32.91 1x4k n ARG 38 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x4k n GLN 40 N -1.84 -6.93 -4.49 0.00 3.00 -1.18 -4.93 117.38 101.00 1x4k n GLN 40 Ca 0.06 0.77 -0.29 0.00 -0.01 0.00 0.00 57.00 57.53 1x4k n GLN 40 Cb 0.38 -5.74 -0.13 0.00 0.00 0.00 0.00 30.24 24.75 1x4k n GLN 40 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1x4k s GLN 41 N -6.11 1.47 -0.97 -1.09 -1.52 -1.26 -4.62 119.66 105.56 1x4k s GLN 41 Ca 0.41 -1.30 -0.24 0.00 -1.95 0.00 0.00 55.36 52.28 1x4k s GLN 41 Cb -0.19 -1.90 -0.06 0.00 -0.22 0.00 0.00 33.01 30.64 1x4k s GLN 41 CO 0.76 0.46 1.94 -1.25 -0.25 0.00 0.00 175.29 176.95 1x4k s PRO 42 N -1.90 2.54 0.01 2.91 0.04 -1.26 0.60 135.00 137.95 1x4k s PRO 42 Ca 0.13 -0.49 -0.03 0.00 0.04 0.00 0.00 61.00 60.65 1x4k s PRO 42 Cb -0.10 -5.10 -0.01 0.00 0.04 0.00 0.00 34.50 29.33 1x4k s PRO 42 CO 0.05 -3.52 1.05 0.82 0.04 0.00 0.00 177.00 175.45 1x4k h ILE 43 N 7.01 0.00 0.00 0.56 2.04 -1.88 -3.47 117.51 121.77 1x4k h ILE 43 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.98 1x4k h ILE 43 Cb 0.99 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1x4k h ILE 43 CO 1.21 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.97 1x4k n GLY 44 N -1.03 0.78 2.00 5.37 0.00 -1.26 -4.47 105.19 106.57 1x4k n GLY 44 Ca 0.00 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 1x4k n GLY 44 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x4k n THR 45 N 0.00 2.00 -2.62 2.61 -2.24 -1.26 -5.07 114.28 107.71 1x4k n THR 45 Ca 0.00 -3.55 -0.23 0.00 -2.27 0.00 0.00 64.05 58.00 1x4k n THR 45 Cb 0.00 -0.26 0.11 0.00 -2.10 0.00 0.00 70.33 68.09 1x4k n THR 45 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1x4k s LYS 46 N -3.37 1.64 -1.52 -0.78 -0.14 -1.26 -4.96 119.74 109.35 1x4k s LYS 46 Ca 0.42 -1.19 -0.10 0.00 -1.36 0.00 0.00 55.97 53.75 1x4k s LYS 46 Cb 0.38 -2.34 -0.08 0.00 -1.68 0.00 0.00 37.83 34.11 1x4k s LYS 46 CO -0.01 -1.48 2.81 0.45 -0.76 0.00 0.00 175.35 176.37 1x4k n SER 47 N -2.84 8.01 -4.83 2.83 2.88 -1.26 -4.92 113.62 113.49 1x4k n SER 47 Ca 0.16 -2.55 -0.35 0.00 -1.33 0.00 0.00 58.87 54.80 1x4k n SER 47 Cb 0.61 -1.50 -0.06 0.00 -0.75 0.00 0.00 64.21 62.51 1x4k n SER 47 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1x4k s PHE 48 N 2.40 3.59 -0.52 0.66 -0.71 -1.26 -4.25 117.98 117.90 1x4k s PHE 48 Ca 0.65 1.27 -0.18 0.00 -1.04 0.00 0.00 56.93 57.63 1x4k s PHE 48 Cb 0.17 -2.54 0.07 0.00 -1.21 0.00 0.00 43.02 39.51 1x4k s PHE 48 CO -0.06 0.32 0.58 0.42 -1.34 0.00 0.00 175.22 175.15 1x4k s ILE 49 N -1.58 4.96 -0.14 -4.49 1.09 -0.19 -4.96 121.20 115.89 1x4k s ILE 49 Ca 0.43 -0.76 -0.29 0.00 -1.10 0.00 0.00 60.65 58.93 1x4k s ILE 49 Cb -0.15 -4.30 -0.04 0.00 -1.06 0.00 0.00 42.46 36.91 1x4k s ILE 49 CO 0.20 -0.82 1.55 -2.16 -0.10 0.00 0.00 174.94 173.62 1x4k s PRO 50 N 2.37 4.06 0.55 2.79 0.04 -1.26 -2.83 135.00 140.72 1x4k s PRO 50 Ca 0.11 1.89 -0.16 0.00 0.04 0.00 0.00 61.00 62.88 1x4k s PRO 50 Cb -0.22 -3.95 -0.06 0.00 0.04 0.00 0.00 34.50 30.31 1x4k s PRO 50 CO 0.09 -0.97 1.02 0.21 0.04 0.00 0.00 177.00 177.39 1x4k s LYS 51 N 4.13 3.69 0.03 4.56 2.47 0.38 -4.95 119.74 130.06 1x4k s LYS 51 Ca 0.69 1.05 -0.05 0.00 -1.56 0.00 0.00 55.97 56.09 1x4k s LYS 51 Cb -0.28 -2.09 -0.01 0.00 -1.46 0.00 0.00 37.83 33.99 1x4k s LYS 51 CO 0.26 -0.49 0.77 -0.25 0.16 0.00 0.00 175.35 175.80 1x4k n ASP 52 N -1.77 -0.18 -0.61 1.43 8.00 -1.26 -1.81 116.55 120.34 1x4k n ASP 52 Ca 0.07 0.81 0.05 0.00 0.71 0.00 0.00 54.79 56.43 1x4k n ASP 52 Cb 0.54 -0.29 0.20 0.00 -0.02 0.00 0.00 41.12 41.54 1x4k n ASP 52 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1x4k n ASN 53 N -3.23 2.06 -3.04 -2.24 6.94 -1.26 -5.03 115.26 109.46 1x4k n ASN 53 Ca 0.00 -3.69 -0.12 0.00 -0.02 0.00 0.00 54.58 50.76 1x4k n ASN 53 Cb 0.05 -0.53 -0.00 0.00 -2.36 0.00 0.00 39.78 36.93 1x4k n ASN 53 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1x4k s GLN 54 N -3.16 2.11 0.06 -3.83 -0.21 -0.75 -5.18 119.66 108.70 1x4k s GLN 54 Ca 0.38 -1.60 0.04 0.00 0.02 0.00 0.00 55.36 54.20 1x4k s GLN 54 Cb 0.36 0.54 -0.03 0.00 1.00 0.00 0.00 33.01 34.89 1x4k s GLN 54 CO -0.03 -0.94 -0.12 -0.80 -2.12 0.00 0.00 175.29 171.28 1x4k s ASN 55 N -3.15 1.42 -0.23 5.90 0.01 -1.26 0.14 114.94 117.76 1x4k s ASN 55 Ca 0.22 -0.57 -0.19 0.00 -0.71 0.00 0.00 52.86 51.62 1x4k s ASN 55 Cb -0.03 -0.03 0.06 0.00 0.41 0.00 0.00 41.25 41.66 1x4k s ASN 55 CO 0.16 -0.10 0.61 -0.36 -1.51 0.00 0.00 177.10 175.90 1x4k s PHE 56 N -1.23 -0.75 0.73 2.20 0.08 -1.13 -2.43 117.98 115.45 1x4k s PHE 56 Ca -0.04 1.71 -0.12 0.00 0.12 0.00 0.00 56.93 58.60 1x4k s PHE 56 Cb -0.10 0.32 0.18 0.00 -0.57 0.00 0.00 43.02 42.86 1x4k s PHE 56 CO 0.02 -0.37 0.63 0.00 -0.10 0.00 0.00 175.22 175.40 1x4k h VAL 58 N -2.27 1.06 0.00 0.00 2.07 -1.93 0.21 116.25 115.38 1x4k h VAL 58 Ca -0.24 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1x4k h VAL 58 Cb 0.74 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1x4k h VAL 58 CO 0.16 0.17 -0.10 1.55 0.02 0.00 0.00 177.57 179.37 1x4k h PRO 59 N -0.48 0.00 0.00 1.57 0.13 -1.94 -2.44 132.00 128.84 1x4k h PRO 59 Ca -0.02 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.01 1x4k h PRO 59 Cb 0.39 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.50 1x4k h PRO 59 CO 0.03 0.10 -0.66 0.00 -0.23 0.00 0.00 178.00 177.23 1x4k h TYR 61 N -1.00 -0.42 -0.90 0.00 3.20 -0.61 -2.01 116.97 115.23 1x4k h TYR 61 Ca -0.16 0.01 0.19 0.00 3.14 0.00 0.00 58.73 61.91 1x4k h TYR 61 Cb 0.96 0.19 -0.11 0.00 1.54 0.00 0.00 36.73 39.31 1x4k h TYR 61 CO 0.09 -0.23 0.46 0.93 -1.64 0.00 0.00 178.16 177.76 1x4k h GLU 62 N -0.26 0.54 -0.10 1.82 4.39 -1.63 0.46 114.58 119.79 1x4k h GLU 62 Ca 0.06 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.75 1x4k h GLU 62 Cb 0.33 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1x4k h GLU 62 CO -0.16 0.35 -0.03 0.87 -1.16 0.00 0.00 179.01 178.88 1x4k h LYS 63 N 0.55 -0.01 -0.78 2.33 1.57 -1.44 -2.31 116.57 116.48 1x4k h LYS 63 Ca 0.53 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.26 1x4k h LYS 63 Cb 0.89 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.17 1x4k h LYS 63 CO -0.44 -0.01 0.28 1.96 -0.57 0.00 0.00 179.45 180.68 1x4k h GLN 64 N -0.01 1.18 -1.57 3.15 1.08 -0.77 -2.77 115.11 115.40 1x4k h GLN 64 Ca 0.05 -0.23 -0.47 0.00 -1.45 0.00 0.00 58.65 56.55 1x4k h GLN 64 Cb 0.09 -0.18 -0.19 0.00 -0.05 0.00 0.00 27.48 27.15 1x4k h GLN 64 CO -0.11 0.97 0.55 1.58 -0.95 0.00 0.00 178.83 180.87 1x4k n HIS 65 N -4.26 2.01 -5.14 2.96 -0.00 0.01 -4.90 115.22 105.90 1x4k n HIS 65 Ca 0.07 -2.21 -0.32 0.00 0.46 0.00 0.00 57.72 55.72 1x4k n HIS 65 Cb 0.21 -1.18 -0.16 0.00 -0.12 0.00 0.00 29.99 28.73 1x4k n HIS 65 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1x4k s ALA 66 N -2.38 2.29 -0.47 1.57 0.00 -0.91 -4.90 121.76 116.96 1x4k s ALA 66 Ca 0.47 -1.00 -0.22 0.00 0.00 0.00 0.00 51.96 51.21 1x4k s ALA 66 Cb 0.35 -0.82 0.03 0.00 0.00 0.00 0.00 23.12 22.68 1x4k s ALA 66 CO -0.09 0.38 0.75 0.45 0.00 0.00 0.00 175.76 177.25 1x4k s SER 67 N -0.03 6.35 0.00 0.00 0.15 -1.26 -4.86 113.70 114.06 1x4k s SER 67 Ca -0.07 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.26 1x4k s SER 67 Cb -0.15 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1x4k s SER 67 CO 0.05 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.16 1x4k n GLY 68 N 5.05 -1.16 0.00 9.45 0.00 -1.26 -4.91 105.19 112.36 1x4k n GLY 68 Ca -0.00 -1.41 0.07 0.00 0.00 0.00 0.00 46.02 44.68 1x4k n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4k n PRO 69 N -0.33 0.49 -2.69 1.61 -0.04 -1.26 -4.74 135.00 128.03 1x4k n PRO 69 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1x4k n PRO 69 Cb 0.00 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 31.95 1x4k n PRO 69 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x4k s SER 70 N -1.97 7.39 -1.28 3.54 0.15 -1.26 -3.68 113.70 116.58 1x4k s SER 70 Ca 0.22 1.72 -0.04 0.00 0.70 0.00 0.00 55.95 58.56 1x4k s SER 70 Cb 0.10 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.84 1x4k s SER 70 CO 0.17 -0.22 1.01 -1.20 1.20 0.00 0.00 173.24 174.20 1x4k n SER 71 N 3.58 -3.36 -0.13 5.45 7.64 -1.26 -4.90 113.62 120.64 1x4k n SER 71 Ca 0.05 -0.64 0.02 0.00 1.01 0.00 0.00 58.87 59.31 1x4k n SER 71 Cb 0.50 -4.87 0.01 0.00 -1.01 0.00 0.00 64.21 58.85 1x4k n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64