#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4k s SER 2 N 0.00 6.28 0.27 1.61 0.15 -1.26 -5.02 113.70 115.73 1x4k s SER 2 Ca 0.00 -0.50 -0.01 0.00 0.70 0.00 0.00 55.95 56.14 1x4k s SER 2 Cb 0.00 -2.30 -0.02 0.00 -1.71 0.00 0.00 66.02 61.99 1x4k s SER 2 CO 0.00 -0.77 0.29 -0.44 1.20 0.00 0.00 173.24 173.52 1x4k s SER 3 N 2.09 0.69 0.00 5.45 0.01 -1.26 -5.12 113.70 115.56 1x4k s SER 3 Ca 0.19 -1.45 0.00 0.00 1.31 0.00 0.00 55.95 56.01 1x4k s SER 3 Cb -0.15 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1x4k s SER 3 CO 0.17 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.39 1x4k n GLY 4 N -0.44 2.39 2.94 3.44 0.00 -1.26 -5.11 105.19 107.14 1x4k n GLY 4 Ca 0.03 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 1x4k n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4k s SER 5 N 0.00 4.31 -0.11 1.61 0.15 -1.26 -5.00 113.70 113.40 1x4k s SER 5 Ca 0.00 -1.69 -0.04 0.00 0.70 0.00 0.00 55.95 54.92 1x4k s SER 5 Cb 0.00 -1.32 -0.02 0.00 -1.71 0.00 0.00 66.02 62.97 1x4k s SER 5 CO 0.00 -0.33 0.03 0.28 1.20 0.00 0.00 173.24 174.42 1x4k h SER 6 N 7.83 0.00 -4.09 5.45 0.02 -1.96 -3.51 113.55 117.30 1x4k h SER 6 Ca -0.11 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1x4k h SER 6 Cb 1.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1x4k h SER 6 CO 0.47 0.58 -0.93 0.61 -1.14 0.00 0.00 176.83 176.43 1x4k n GLY 7 N 1.74 -4.70 3.81 -3.77 0.00 -1.26 -4.63 105.19 96.38 1x4k n GLY 7 Ca -0.02 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.31 1.22 0.14 0.00 1.13 -0.70 -3.56 117.38 112.30 1x4k n GLN 9 Ca 0.07 0.04 -0.05 0.00 -1.94 0.00 0.00 57.00 55.12 1x4k n GLN 9 Cb 0.55 -1.32 -0.03 0.00 0.11 0.00 0.00 30.24 29.56 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 -0.34 -0.60 -1.09 4.57 -1.93 -3.26 114.58 111.92 1x4k h GLU 10 Ca -0.35 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 1x4k h GLU 10 Cb 1.67 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.34 1x4k h GLU 10 CO -0.02 -0.23 0.00 0.00 -1.18 0.00 0.00 179.01 177.58 1x4k n LYS 12 N 1.19 -1.65 -4.54 0.00 4.01 -1.23 -4.92 118.16 111.02 1x4k n LYS 12 Ca 0.20 0.22 -0.31 0.00 -0.51 0.00 0.00 58.31 57.91 1x4k n LYS 12 Cb 0.54 -4.59 -0.12 0.00 -0.51 0.00 0.00 35.03 30.35 1x4k n LYS 12 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1x4k s LYS 13 N -7.13 2.08 -0.01 1.97 1.02 -1.25 -4.79 119.74 111.63 1x4k s LYS 13 Ca 0.58 -0.99 -0.30 0.00 0.02 0.00 0.00 55.97 55.28 1x4k s LYS 13 Cb -0.33 -2.22 -0.08 0.00 -0.52 0.00 0.00 37.83 34.68 1x4k s LYS 13 CO 0.98 0.53 1.93 0.99 -0.92 0.00 0.00 175.35 178.87 1x4k s THR 14 N -0.99 3.13 -0.82 2.17 2.01 -1.26 0.03 115.64 119.90 1x4k s THR 14 Ca 0.16 0.15 -0.25 0.00 0.31 0.00 0.00 61.69 62.06 1x4k s THR 14 Cb -0.11 -3.10 0.04 0.00 0.01 0.00 0.00 72.50 69.34 1x4k s THR 14 CO 0.07 -0.02 1.30 -0.63 -0.69 0.00 0.00 174.62 174.65 1x4k s ILE 15 N 4.74 3.86 0.59 1.82 1.01 -1.26 -4.86 121.20 127.09 1x4k s ILE 15 Ca 0.87 -0.07 -0.18 0.00 0.00 0.00 0.00 60.65 61.27 1x4k s ILE 15 Cb -0.40 -4.94 -0.09 0.00 0.01 0.00 0.00 42.46 37.04 1x4k s ILE 15 CO 0.39 -1.84 0.40 0.23 0.00 0.00 0.00 174.94 174.11 1x4k n MET 16 N 9.00 0.39 0.21 2.79 2.81 -1.26 -4.85 117.12 126.22 1x4k n MET 16 Ca 0.12 0.16 0.15 0.00 -1.81 0.00 0.00 57.70 56.32 1x4k n MET 16 Cb 0.49 -1.59 0.62 0.00 -0.71 0.00 0.00 33.22 32.02 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 0.09 0.00 -1.83 0.03 0.13 -2.04 -3.23 132.00 125.15 1x4k h PRO 17 Ca -0.45 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.53 1x4k h PRO 17 Cb 1.40 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.47 1x4k h PRO 17 CO 0.45 0.00 0.14 0.41 -0.23 0.00 0.00 178.00 178.77 1x4k n GLY 18 N -0.02 3.19 3.50 1.56 0.00 -1.26 -4.81 105.19 107.35 1x4k n GLY 18 Ca 0.01 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.84 0.00 -0.27 2.61 -1.32 -1.22 -5.14 115.64 109.47 1x4k s THR 19 Ca 0.19 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.51 1x4k s THR 19 Cb 0.13 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.08 1x4k s THR 19 CO -0.01 0.00 0.43 0.00 -2.21 0.00 0.00 174.62 172.83 1x4k s ARG 20 N -2.72 4.04 0.42 7.08 1.70 -1.26 -4.97 118.95 123.24 1x4k s ARG 20 Ca 0.02 0.15 0.07 0.00 -0.47 0.00 0.00 55.73 55.50 1x4k s ARG 20 Cb -0.01 -3.65 -0.03 0.00 -0.57 0.00 0.00 34.95 30.69 1x4k s ARG 20 CO -0.06 -0.30 0.31 -1.59 -1.08 0.00 0.00 175.30 172.57 1x4k s LYS 21 N 2.16 2.41 -0.32 3.89 -2.85 -1.26 -3.72 119.74 120.04 1x4k s LYS 21 Ca 0.17 -1.67 -0.03 0.00 -1.00 0.00 0.00 55.97 53.44 1x4k s LYS 21 Cb -0.16 -2.22 0.05 0.00 -2.06 0.00 0.00 37.83 33.44 1x4k s LYS 21 CO 0.10 -0.18 0.04 -1.64 0.10 0.00 0.00 175.35 173.76 1x4k s MET 22 N -4.05 2.48 -0.30 1.78 -1.94 -0.50 -4.93 119.30 111.83 1x4k s MET 22 Ca 0.45 -1.26 -0.22 0.00 -1.71 0.00 0.00 55.69 52.95 1x4k s MET 22 Cb -0.00 -3.28 -0.00 0.00 2.01 0.00 0.00 34.83 33.55 1x4k s MET 22 CO 0.26 -0.65 0.73 -1.21 -0.01 0.00 0.00 175.02 174.14 1x4k s GLU 23 N 1.30 3.95 -0.15 2.03 2.02 -1.26 -1.15 118.70 125.43 1x4k s GLU 23 Ca -0.04 0.49 -0.03 0.00 0.02 0.00 0.00 54.97 55.41 1x4k s GLU 23 Cb -0.20 -3.73 0.05 0.00 0.10 0.00 0.00 34.13 30.36 1x4k s GLU 23 CO 0.00 -0.64 0.06 -0.47 0.02 0.00 0.00 175.26 174.23 1x4k s TYR 24 N 2.83 0.55 -1.08 1.61 6.14 0.11 -4.85 117.35 122.66 1x4k s TYR 24 Ca 0.30 -0.44 -0.05 0.00 0.64 0.00 0.00 57.07 57.52 1x4k s TYR 24 Cb -0.14 -0.81 0.01 0.00 0.42 0.00 0.00 41.96 41.43 1x4k s TYR 24 CO 0.12 -0.49 0.93 1.63 0.64 0.00 0.00 175.55 178.37 1x4k n LYS 25 N 5.18 -6.20 0.00 4.97 4.76 -1.26 -2.59 118.16 123.02 1x4k n LYS 25 Ca -0.07 0.70 0.00 0.00 -2.87 0.00 0.00 58.31 56.06 1x4k n LYS 25 Cb 0.49 -5.31 0.00 0.00 -1.84 0.00 0.00 35.03 28.37 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 -1.50 1.38 3.83 0.72 0.00 -1.26 -4.97 105.19 103.38 1x4k n GLY 26 Ca -0.09 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 0.01 5.72 0.20 1.61 0.01 -1.07 -5.03 113.70 115.15 1x4k s SER 27 Ca 0.00 1.63 0.10 0.00 1.31 0.00 0.00 55.95 59.00 1x4k s SER 27 Cb 0.00 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 1x4k s SER 27 CO 0.00 -1.21 -0.21 -0.94 0.41 0.00 0.00 173.24 171.29 1x4k s SER 28 N -3.53 3.14 -0.06 2.44 1.04 -1.26 0.05 113.70 115.52 1x4k s SER 28 Ca 0.59 -0.89 -0.02 0.00 0.48 0.00 0.00 55.95 56.10 1x4k s SER 28 Cb -0.14 -0.22 0.04 0.00 0.10 0.00 0.00 66.02 65.80 1x4k s SER 28 CO 0.48 0.04 0.11 0.26 0.98 0.00 0.00 173.24 175.11 1x4k s TRP 29 N -1.99 -0.07 0.93 5.02 0.51 -0.30 -1.72 118.94 121.32 1x4k s TRP 29 Ca 0.20 0.41 -0.15 0.00 -2.12 0.00 0.00 56.10 54.44 1x4k s TRP 29 Cb -0.06 -0.31 -0.07 0.00 -0.81 0.00 0.00 33.47 32.22 1x4k s TRP 29 CO 0.09 -0.21 -0.18 0.72 -0.51 0.00 0.00 176.95 176.87 1x4k n HIS 30 N 5.02 -3.25 0.29 -1.98 8.25 -1.26 -1.41 115.22 120.88 1x4k n HIS 30 Ca -0.10 0.13 0.16 0.00 -0.26 0.00 0.00 57.72 57.65 1x4k n HIS 30 Cb 0.50 -1.63 0.89 0.00 1.12 0.00 0.00 29.99 30.87 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 -1.10 0.00 -0.02 -0.41 4.11 -1.93 -0.86 114.58 114.37 1x4k h GLU 31 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 1x4k h GLU 31 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1x4k h GLU 31 CO 0.30 0.05 -0.16 0.25 0.07 0.00 0.00 179.01 179.52 1x4k n THR 32 N -3.45 0.00 -0.07 -1.06 -2.24 -1.26 -4.35 114.28 101.85 1x4k n THR 32 Ca -0.02 -0.42 -0.02 0.00 -2.27 0.00 0.00 64.05 61.32 1x4k n THR 32 Cb 0.18 1.31 -0.16 0.00 -2.10 0.00 0.00 70.33 69.55 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 -2.56 0.18 -0.69 0.00 7.35 -0.45 -4.87 117.46 116.42 1x4k n PHE 34 Ca -0.22 -0.06 -0.32 0.00 -0.76 0.00 0.00 57.45 56.09 1x4k n PHE 34 Cb 0.93 -0.11 0.16 0.00 0.35 0.00 0.00 39.48 40.81 1x4k n PHE 34 CO 0.00 0.00 0.00 0.44 -0.76 0.00 0.00 176.76 176.44 1x4k n ILE 35 N -0.01 0.00 -0.75 -2.13 -6.64 -1.26 -4.47 119.36 104.10 1x4k n ILE 35 Ca 0.03 -0.18 -0.30 0.00 -1.77 0.00 0.00 62.75 60.53 1x4k n ILE 35 Cb 0.29 -0.79 0.18 0.00 -1.44 0.00 0.00 39.64 37.88 1x4k n ILE 35 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1x4k n HIS 37 N -4.33 0.03 -0.02 0.00 8.25 -0.32 -3.14 115.22 115.68 1x4k n HIS 37 Ca 0.09 0.01 -0.04 0.00 -0.26 0.00 0.00 57.72 57.52 1x4k n HIS 37 Cb 0.53 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.49 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 -1.58 0.22 0.17 -0.41 0.63 -1.26 -4.71 116.66 109.72 1x4k n ARG 38 Ca 0.04 0.09 0.12 0.00 -0.92 0.00 0.00 57.85 57.18 1x4k n ARG 38 Cb 0.35 -0.83 0.20 0.00 0.45 0.00 0.00 32.46 32.63 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 -2.80 -6.12 -4.59 0.00 1.13 -1.19 -4.93 117.38 98.88 1x4k n GLN 40 Ca 0.04 0.66 -0.31 0.00 -1.94 0.00 0.00 57.00 55.45 1x4k n GLN 40 Cb 0.51 -5.18 -0.12 0.00 0.11 0.00 0.00 30.24 25.55 1x4k n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1x4k s GLN 41 N -5.84 2.17 -1.18 -1.09 -0.21 -1.26 -4.58 119.66 107.66 1x4k s GLN 41 Ca 0.37 -0.93 -0.23 0.00 0.02 0.00 0.00 55.36 54.59 1x4k s GLN 41 Cb -0.16 -2.26 -0.09 0.00 1.00 0.00 0.00 33.01 31.50 1x4k s GLN 41 CO 0.58 0.55 1.93 -0.35 -2.12 0.00 0.00 175.29 175.88 1x4k n PRO 42 N 1.50 1.61 -0.11 2.91 -0.04 -1.26 0.38 135.00 139.98 1x4k n PRO 42 Ca -0.16 -2.46 -0.03 0.00 -0.04 0.00 0.00 63.50 60.81 1x4k n PRO 42 Cb 0.52 -3.72 -0.03 0.00 -0.04 0.00 0.00 33.50 30.24 1x4k n PRO 42 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1x4k n ILE 43 N 7.76 -0.17 0.00 0.52 5.41 -1.26 -4.89 119.36 126.73 1x4k n ILE 43 Ca 0.45 1.57 0.00 0.00 1.00 0.00 0.00 62.75 65.77 1x4k n ILE 43 Cb 0.46 -2.04 0.00 0.00 -0.71 0.00 0.00 39.64 37.36 1x4k n ILE 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x4k n GLY 44 N -1.06 1.00 2.13 7.39 0.00 -1.26 -4.30 105.19 109.09 1x4k n GLY 44 Ca 0.01 -1.16 -0.26 0.00 0.00 0.00 0.00 46.02 44.61 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 2.60 -4.04 2.61 -2.24 -1.26 -5.04 114.28 106.91 1x4k n THR 45 Ca 0.00 -4.23 -0.25 0.00 -2.27 0.00 0.00 64.05 57.29 1x4k n THR 45 Cb 0.00 -1.16 -0.05 0.00 -2.10 0.00 0.00 70.33 67.02 1x4k n THR 45 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1x4k s LYS 46 N -3.62 2.27 -0.28 -0.78 -2.85 -1.26 -5.04 119.74 108.19 1x4k s LYS 46 Ca 0.52 -1.89 -0.33 0.00 -1.00 0.00 0.00 55.97 53.27 1x4k s LYS 46 Cb 0.42 -2.03 -0.10 0.00 -2.06 0.00 0.00 37.83 34.06 1x4k s LYS 46 CO -0.01 -0.26 2.16 -1.13 0.10 0.00 0.00 175.35 176.22 1x4k n SER 47 N -1.41 2.61 -3.80 0.03 3.41 -1.26 -4.92 113.62 108.28 1x4k n SER 47 Ca -0.02 0.41 -0.13 0.00 -0.26 0.00 0.00 58.87 58.87 1x4k n SER 47 Cb 0.64 -1.36 -0.09 0.00 -0.26 0.00 0.00 64.21 63.14 1x4k n SER 47 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1x4k s PHE 48 N 7.27 -0.12 -0.44 7.33 -0.71 -1.26 -3.94 117.98 126.10 1x4k s PHE 48 Ca 1.05 0.16 -0.11 0.00 -1.04 0.00 0.00 56.93 57.00 1x4k s PHE 48 Cb -0.68 0.05 0.08 0.00 -1.21 0.00 0.00 43.02 41.26 1x4k s PHE 48 CO 0.45 -0.35 0.31 0.42 -1.34 0.00 0.00 175.22 174.72 1x4k s ILE 49 N -1.27 4.50 -0.10 -4.49 1.09 -0.06 -4.94 121.20 115.93 1x4k s ILE 49 Ca -0.13 -1.36 -0.29 0.00 -1.10 0.00 0.00 60.65 57.76 1x4k s ILE 49 Cb -0.06 -3.76 -0.04 0.00 -1.06 0.00 0.00 42.46 37.54 1x4k s ILE 49 CO 0.03 -0.57 1.53 -2.16 -0.10 0.00 0.00 174.94 173.67 1x4k s PRO 50 N 1.48 4.18 0.40 2.79 0.04 -1.26 -2.28 135.00 140.34 1x4k s PRO 50 Ca 0.04 1.99 -0.12 0.00 0.04 0.00 0.00 61.00 62.95 1x4k s PRO 50 Cb -0.24 -3.92 -0.07 0.00 0.04 0.00 0.00 34.50 30.31 1x4k s PRO 50 CO 0.03 -0.83 0.79 0.21 0.04 0.00 0.00 177.00 177.24 1x4k s LYS 51 N 3.90 3.84 0.03 4.56 2.47 0.26 -4.96 119.74 129.84 1x4k s LYS 51 Ca 0.67 0.55 -0.05 0.00 -1.56 0.00 0.00 55.97 55.58 1x4k s LYS 51 Cb -0.29 -2.37 -0.01 0.00 -1.46 0.00 0.00 37.83 33.70 1x4k s LYS 51 CO 0.25 -0.03 0.72 -0.25 0.16 0.00 0.00 175.35 176.20 1x4k n ASP 52 N -1.16 -0.18 -0.53 1.43 9.92 -1.26 -1.78 116.55 122.98 1x4k n ASP 52 Ca 0.03 0.76 0.06 0.00 -0.53 0.00 0.00 54.79 55.11 1x4k n ASP 52 Cb 0.54 -0.27 0.20 0.00 -0.64 0.00 0.00 41.12 40.95 1x4k n ASP 52 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1x4k n ASN 53 N -3.21 1.86 -2.76 -2.24 4.13 -1.26 -5.04 115.26 106.74 1x4k n ASN 53 Ca 0.00 -3.76 -0.11 0.00 1.68 0.00 0.00 54.58 52.39 1x4k n ASN 53 Cb 0.04 -0.52 -0.00 0.00 -1.54 0.00 0.00 39.78 37.76 1x4k n ASN 53 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x4k n GLN 54 N -1.17 0.83 -3.77 3.52 6.02 -0.74 -5.17 117.38 116.90 1x4k n GLN 54 Ca 0.19 -2.36 -0.15 0.00 -0.01 0.00 0.00 57.00 54.67 1x4k n GLN 54 Cb 0.69 2.53 -0.16 0.00 1.02 0.00 0.00 30.24 34.33 1x4k n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1x4k s ASN 55 N -2.97 0.06 -0.02 1.08 -0.87 -1.26 0.92 114.94 111.88 1x4k s ASN 55 Ca 0.21 0.07 0.00 0.00 -1.57 0.00 0.00 52.86 51.58 1x4k s ASN 55 Cb -0.03 -0.04 0.02 0.00 -0.02 0.00 0.00 41.25 41.18 1x4k s ASN 55 CO 0.16 -0.13 0.00 -0.36 -2.57 0.00 0.00 177.10 174.20 1x4k s PHE 56 N 1.10 0.15 0.69 2.20 0.08 -0.97 -1.18 117.98 120.06 1x4k s PHE 56 Ca -0.09 0.03 -0.12 0.00 0.12 0.00 0.00 56.93 56.88 1x4k s PHE 56 Cb -0.13 -0.23 0.18 0.00 -0.57 0.00 0.00 43.02 42.27 1x4k s PHE 56 CO -0.03 -0.07 0.48 0.00 -0.10 0.00 0.00 175.22 175.50 1x4k h VAL 58 N -2.56 1.09 0.00 0.00 2.07 -1.93 0.33 116.25 115.26 1x4k h VAL 58 Ca -0.20 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 1x4k h VAL 58 Cb 0.65 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1x4k h VAL 58 CO 0.12 0.18 -0.12 1.55 0.02 0.00 0.00 177.57 179.32 1x4k h PRO 59 N -0.46 0.00 0.00 1.57 0.13 -1.93 -2.61 132.00 128.70 1x4k h PRO 59 Ca -0.01 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.99 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 0.02 0.12 -0.80 0.00 -0.23 0.00 0.00 178.00 177.12 1x4k h TYR 61 N -1.00 -0.21 -0.94 0.00 3.20 -0.38 0.30 116.97 117.95 1x4k h TYR 61 Ca -0.19 0.03 0.21 0.00 3.14 0.00 0.00 58.73 61.92 1x4k h TYR 61 Cb 1.01 0.14 -0.12 0.00 1.54 0.00 0.00 36.73 39.30 1x4k h TYR 61 CO 0.07 -0.16 0.49 0.93 -1.64 0.00 0.00 178.16 177.85 1x4k h GLU 62 N -0.02 0.52 0.11 1.82 3.07 -1.66 0.50 114.58 118.93 1x4k h GLU 62 Ca 0.16 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.98 1x4k h GLU 62 Cb 0.26 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1x4k h GLU 62 CO -0.34 0.35 -0.05 0.87 -1.40 0.00 0.00 179.01 178.43 1x4k h LYS 63 N 0.54 -0.15 -0.27 2.33 1.57 -1.33 -1.87 116.57 117.39 1x4k h LYS 63 Ca 0.57 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.41 1x4k h LYS 63 Cb 1.03 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.29 1x4k h LYS 63 CO -0.47 -0.10 -0.49 0.37 -0.57 0.00 0.00 179.45 178.19 1x4k h GLN 64 N -0.80 -0.44 0.48 3.15 5.75 -0.22 -2.57 115.11 120.46 1x4k h GLN 64 Ca -0.02 0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 1x4k h GLN 64 Cb 0.12 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 1x4k h GLN 64 CO 0.03 -0.29 -0.31 1.25 -2.65 0.00 0.00 178.83 176.86 1x4k h HIS 65 N -0.45 -0.81 -2.90 3.99 2.76 -0.18 -3.37 115.15 114.20 1x4k h HIS 65 Ca 0.08 -0.01 -0.68 0.00 -2.20 0.00 0.00 60.37 57.57 1x4k h HIS 65 Cb 0.63 0.29 -0.18 0.00 1.55 0.00 0.00 27.41 29.70 1x4k h HIS 65 CO -0.61 -0.47 0.23 0.00 -1.30 0.00 0.00 177.93 175.79 1x4k s ALA 66 N -6.05 3.32 -0.04 5.26 0.00 -0.70 -5.01 121.76 118.54 1x4k s ALA 66 Ca -0.17 -2.02 -0.30 0.00 0.00 0.00 0.00 51.96 49.47 1x4k s ALA 66 Cb 0.05 -3.60 -0.07 0.00 0.00 0.00 0.00 23.12 19.50 1x4k s ALA 66 CO 0.63 -2.41 1.89 -1.54 0.00 0.00 0.00 175.76 174.32 1x4k s SER 67 N 3.48 6.38 -0.24 0.00 1.04 -1.21 -4.35 113.70 118.80 1x4k s SER 67 Ca 0.15 2.38 -0.22 0.00 0.48 0.00 0.00 55.95 58.75 1x4k s SER 67 Cb -0.21 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.36 1x4k s SER 67 CO 0.09 -1.14 0.70 -0.83 0.98 0.00 0.00 173.24 173.03 1x4k s GLY 68 N 4.59 1.83 -0.56 7.32 0.00 -1.26 -5.00 107.32 114.24 1x4k s GLY 68 Ca 0.85 -0.30 -0.27 0.00 0.00 0.00 0.00 44.72 45.00 1x4k s GLY 68 CO 0.37 1.56 1.84 2.56 0.00 0.00 0.00 173.10 179.43 1x4k s PRO 69 N 2.54 2.76 0.47 2.90 0.04 -1.26 -4.96 135.00 137.49 1x4k s PRO 69 Ca 0.30 0.75 -0.24 0.00 0.04 0.00 0.00 61.00 61.84 1x4k s PRO 69 Cb -0.15 -4.35 -0.07 0.00 0.04 0.00 0.00 34.50 29.96 1x4k s PRO 69 CO 0.08 -2.57 1.37 0.45 0.04 0.00 0.00 177.00 176.38 1x4k s SER 70 N 7.68 5.82 -0.59 6.66 0.15 -1.26 -4.97 113.70 127.19 1x4k s SER 70 Ca 0.69 2.80 -0.10 0.00 0.70 0.00 0.00 55.95 60.04 1x4k s SER 70 Cb -0.14 -2.64 0.15 0.00 -1.71 0.00 0.00 66.02 61.68 1x4k s SER 70 CO 0.23 -1.20 0.48 -0.44 1.20 0.00 0.00 173.24 173.50 1x4k s SER 71 N -0.70 5.91 0.00 5.45 0.01 -1.26 -5.34 113.70 117.76 1x4k s SER 71 Ca 0.63 -2.26 0.00 0.00 1.31 0.00 0.00 55.95 55.63 1x4k s SER 71 Cb -0.41 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1x4k s SER 71 CO 0.52 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 174.15