#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 6.44 0.39 1.61 0.01 -1.26 -5.08 113.70 115.81 1x4k s SER 2 Ca 0.00 0.52 -0.25 0.00 1.31 0.00 0.00 55.95 57.53 1x4k s SER 2 Cb 0.00 -2.08 -0.09 0.00 0.21 0.00 0.00 66.02 64.06 1x4k s SER 2 CO 0.00 0.37 1.11 -0.44 0.41 0.00 0.00 173.24 174.69 1x4k s SER 3 N -1.21 6.68 0.10 2.44 0.01 -1.26 -4.97 113.70 115.49 1x4k s SER 3 Ca 0.19 2.20 -0.35 0.00 1.31 0.00 0.00 55.95 59.30 1x4k s SER 3 Cb -0.13 -2.60 -0.16 0.00 0.21 0.00 0.00 66.02 63.34 1x4k s SER 3 CO 0.08 -0.56 1.55 1.23 0.41 0.00 0.00 173.24 175.96 1x4k h GLY 4 N 2.67 -1.21 -0.83 3.44 0.00 -2.08 -3.43 103.07 101.63 1x4k h GLY 4 Ca -0.48 0.63 -0.44 0.00 0.00 0.00 0.00 47.33 47.04 1x4k h GLY 4 CO 0.63 -0.31 0.24 -0.56 0.00 0.00 0.00 176.54 176.55 1x4k s SER 5 N -4.54 2.45 -0.02 0.19 0.01 -1.26 -5.09 113.70 105.43 1x4k s SER 5 Ca -0.17 0.80 -0.05 0.00 1.31 0.00 0.00 55.95 57.84 1x4k s SER 5 Cb 0.05 -1.21 0.00 0.00 0.21 0.00 0.00 66.02 65.08 1x4k s SER 5 CO 0.60 -3.19 0.11 -0.44 0.41 0.00 0.00 173.24 170.73 1x4k s SER 6 N -4.00 -0.03 0.18 2.44 0.01 -1.26 -5.13 113.70 105.91 1x4k s SER 6 Ca 0.68 -0.01 0.07 0.00 1.31 0.00 0.00 55.95 58.00 1x4k s SER 6 Cb -0.12 0.22 -0.05 0.00 0.21 0.00 0.00 66.02 66.28 1x4k s SER 6 CO 0.55 -0.20 -0.13 -0.83 0.41 0.00 0.00 173.24 173.04 1x4k s GLY 7 N -0.66 1.29 0.50 3.44 0.00 -1.26 -1.99 107.32 108.64 1x4k s GLY 7 Ca -0.07 -1.59 -0.04 0.00 0.00 0.00 0.00 44.72 43.01 1x4k s GLY 7 CO 0.01 -1.69 0.79 0.00 0.00 0.00 0.00 173.10 172.21 1x4k n GLN 9 N -2.31 1.44 0.07 0.00 1.13 -0.62 -3.64 117.38 113.45 1x4k n GLN 9 Ca 0.02 0.03 -0.03 0.00 -1.94 0.00 0.00 57.00 55.08 1x4k n GLN 9 Cb 0.56 -1.26 -0.01 0.00 0.11 0.00 0.00 30.24 29.64 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 -0.18 0.00 -1.09 4.57 -1.92 -3.32 114.58 112.64 1x4k h GLU 10 Ca -0.28 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1x4k h GLU 10 Cb 1.55 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.18 1x4k h GLU 10 CO -0.01 -0.12 -0.66 0.00 -1.18 0.00 0.00 179.01 177.03 1x4k n LYS 12 N -2.06 -5.89 -5.24 0.00 4.76 -1.24 -5.02 118.16 103.47 1x4k n LYS 12 Ca 0.03 0.67 -0.32 0.00 -2.87 0.00 0.00 58.31 55.83 1x4k n LYS 12 Cb 0.43 -5.22 -0.16 0.00 -1.84 0.00 0.00 35.03 28.24 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 -5.58 2.66 -0.42 1.97 -0.14 -1.26 -4.83 119.74 112.14 1x4k s LYS 13 Ca 0.24 -0.89 -0.43 0.00 -1.36 0.00 0.00 55.97 53.53 1x4k s LYS 13 Cb -0.11 -2.20 -0.17 0.00 -1.68 0.00 0.00 37.83 33.67 1x4k s LYS 13 CO 0.59 0.34 1.85 2.41 -0.76 0.00 0.00 175.35 179.79 1x4k n THR 14 N 3.06 0.11 -2.67 2.17 -1.04 -1.26 -2.52 114.28 112.13 1x4k n THR 14 Ca -0.18 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.05 61.37 1x4k n THR 14 Cb 0.52 -0.86 -0.03 0.00 -1.82 0.00 0.00 70.33 68.14 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 4.47 3.98 0.50 12.58 1.01 -0.84 -4.88 121.20 138.02 1x4k s ILE 15 Ca 1.07 -0.01 -0.19 0.00 0.00 0.00 0.00 60.65 61.53 1x4k s ILE 15 Cb -1.29 -4.84 -0.13 0.00 0.01 0.00 0.00 42.46 36.21 1x4k s ILE 15 CO 0.69 -1.71 0.21 0.23 0.00 0.00 0.00 174.94 174.36 1x4k n MET 16 N 8.66 0.25 0.02 2.79 2.81 -1.26 -4.58 117.12 125.81 1x4k n MET 16 Ca 0.03 0.10 0.08 0.00 -1.81 0.00 0.00 57.70 56.09 1x4k n MET 16 Cb 0.48 -1.30 0.33 0.00 -0.71 0.00 0.00 33.22 32.02 1x4k n MET 16 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1x4k n PRO 17 N 0.84 0.03 -0.06 0.03 -0.04 -1.26 -3.42 135.00 131.12 1x4k n PRO 17 Ca 0.10 0.28 -0.06 0.00 -0.04 0.00 0.00 63.50 63.78 1x4k n PRO 17 Cb 0.45 -1.56 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 1x4k n PRO 17 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1x4k h GLY 18 N 2.40 0.00 -1.96 0.55 0.00 -2.03 -3.46 103.07 98.57 1x4k h GLY 18 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 1x4k h GLY 18 CO 0.00 0.00 0.42 -1.08 0.00 0.00 0.00 176.54 175.88 1x4k s THR 19 N -1.85 3.10 0.35 4.70 -1.32 -1.22 -5.02 115.64 114.39 1x4k s THR 19 Ca -0.08 0.62 -0.19 0.00 -1.21 0.00 0.00 61.69 60.83 1x4k s THR 19 Cb -0.01 -3.20 -0.10 0.00 -1.51 0.00 0.00 72.50 67.68 1x4k s THR 19 CO 0.30 -0.21 0.84 -0.13 -2.21 0.00 0.00 174.62 173.20 1x4k s ARG 20 N -3.56 4.17 0.32 7.08 1.81 -1.26 -4.84 118.95 122.67 1x4k s ARG 20 Ca 0.72 0.93 0.03 0.00 -1.72 0.00 0.00 55.73 55.68 1x4k s ARG 20 Cb -0.24 -2.42 -0.05 0.00 -0.45 0.00 0.00 34.95 31.79 1x4k s ARG 20 CO 0.33 0.12 0.09 -1.59 -0.68 0.00 0.00 175.30 173.57 1x4k s LYS 21 N -2.86 1.62 -0.34 3.54 -2.85 -1.26 -2.28 119.74 115.32 1x4k s LYS 21 Ca 0.56 -1.92 0.01 0.00 -1.00 0.00 0.00 55.97 53.62 1x4k s LYS 21 Cb -0.11 -0.55 0.09 0.00 -2.06 0.00 0.00 37.83 35.19 1x4k s LYS 21 CO 0.17 -0.30 0.06 -1.64 0.10 0.00 0.00 175.35 173.73 1x4k s MET 22 N -3.90 1.86 -0.35 1.78 -1.94 0.07 -4.90 119.30 111.93 1x4k s MET 22 Ca 0.34 -1.70 -0.26 0.00 -1.71 0.00 0.00 55.69 52.37 1x4k s MET 22 Cb 0.07 -3.26 0.01 0.00 2.01 0.00 0.00 34.83 33.66 1x4k s MET 22 CO 0.15 -0.88 0.91 -1.21 -0.01 0.00 0.00 175.02 173.98 1x4k s GLU 23 N 1.04 3.89 -0.17 2.03 2.02 -1.26 -1.69 118.70 124.56 1x4k s GLU 23 Ca 0.05 0.63 -0.04 0.00 0.02 0.00 0.00 54.97 55.64 1x4k s GLU 23 Cb -0.20 -3.78 0.06 0.00 0.10 0.00 0.00 34.13 30.31 1x4k s GLU 23 CO -0.06 -0.87 0.06 -0.47 0.02 0.00 0.00 175.26 173.94 1x4k s TYR 24 N 3.35 0.64 -1.11 1.61 6.14 0.12 -4.84 117.35 123.27 1x4k s TYR 24 Ca 0.37 -0.57 -0.05 0.00 0.64 0.00 0.00 57.07 57.46 1x4k s TYR 24 Cb -0.13 -0.86 0.01 0.00 0.42 0.00 0.00 41.96 41.40 1x4k s TYR 24 CO 0.17 -0.55 0.96 1.63 0.64 0.00 0.00 175.55 178.40 1x4k n LYS 25 N 5.15 -6.40 0.00 4.97 5.02 -1.26 -2.45 118.16 123.20 1x4k n LYS 25 Ca -0.08 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1x4k n LYS 25 Cb 0.48 -5.36 0.00 0.00 -0.02 0.00 0.00 35.03 30.13 1x4k n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x4k n GLY 26 N -1.57 1.89 3.82 0.72 0.00 -1.26 -4.98 105.19 103.81 1x4k n GLY 26 Ca -0.07 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 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 0.08 5.08 0.14 1.61 0.01 -1.02 -5.03 113.70 114.57 1x4k s SER 27 Ca 0.00 1.42 0.04 0.00 1.31 0.00 0.00 55.95 58.72 1x4k s SER 27 Cb 0.00 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 1x4k s SER 27 CO 0.00 -1.61 -0.10 -0.44 0.41 0.00 0.00 173.24 171.51 1x4k s SER 28 N -3.94 1.69 -0.07 2.44 0.01 -1.26 0.14 113.70 112.72 1x4k s SER 28 Ca 0.59 -0.99 -0.03 0.00 1.31 0.00 0.00 55.95 56.83 1x4k s SER 28 Cb -0.14 0.00 0.04 0.00 0.21 0.00 0.00 66.02 66.14 1x4k s SER 28 CO 0.54 -0.34 0.16 0.26 0.41 0.00 0.00 173.24 174.27 1x4k s TRP 29 N -3.26 -0.18 0.39 2.43 0.51 -0.68 -1.59 118.94 116.57 1x4k s TRP 29 Ca 0.15 0.51 -0.25 0.00 -2.12 0.00 0.00 56.10 54.39 1x4k s TRP 29 Cb 0.02 -0.06 -0.11 0.00 -0.81 0.00 0.00 33.47 32.51 1x4k s TRP 29 CO -0.00 -0.17 0.98 0.72 -0.51 0.00 0.00 176.95 177.97 1x4k n HIS 30 N 4.16 1.10 0.10 -1.98 8.25 -1.26 -0.75 115.22 124.84 1x4k n HIS 30 Ca -0.26 0.59 0.15 0.00 -0.26 0.00 0.00 57.72 57.94 1x4k n HIS 30 Cb 0.52 -2.22 0.37 0.00 1.12 0.00 0.00 29.99 29.78 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 1.59 0.00 0.00 -0.41 4.11 -1.80 0.32 114.58 118.39 1x4k h GLU 31 Ca -0.43 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 58.66 1x4k h GLU 31 Cb 1.34 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.53 1x4k h GLU 31 CO 0.57 0.00 -2.27 0.25 0.07 0.00 0.00 179.01 177.63 1x4k n THR 32 N -2.98 1.27 0.34 -1.06 -2.24 -1.26 -4.38 114.28 103.97 1x4k n THR 32 Ca 0.09 -0.47 0.21 0.00 -2.27 0.00 0.00 64.05 61.62 1x4k n THR 32 Cb 1.06 -1.34 1.13 0.00 -2.10 0.00 0.00 70.33 69.08 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 -3.07 0.59 -0.27 0.00 7.35 -0.13 -4.82 117.46 117.10 1x4k n PHE 34 Ca -0.03 -0.59 -0.30 0.00 -0.76 0.00 0.00 57.45 55.77 1x4k n PHE 34 Cb 0.14 -0.33 0.29 0.00 0.35 0.00 0.00 39.48 39.93 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 0.15 0.00 -1.99 -2.13 -6.64 -0.40 -4.13 119.36 104.21 1x4k n ILE 35 Ca 0.11 -0.10 -0.29 0.00 -1.77 0.00 0.00 62.75 60.70 1x4k n ILE 35 Cb 0.66 -0.99 0.06 0.00 -1.44 0.00 0.00 39.64 37.92 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 -3.03 0.00 -0.08 0.00 8.25 -0.51 -3.25 115.22 116.60 1x4k n HIS 37 Ca 0.07 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.45 1x4k n HIS 37 Cb 0.59 -0.34 -0.03 0.00 1.12 0.00 0.00 29.99 31.33 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 -2.02 0.46 0.11 -0.41 0.63 -1.26 -4.63 116.66 109.55 1x4k n ARG 38 Ca -0.01 0.18 0.12 0.00 -0.92 0.00 0.00 57.85 57.22 1x4k n ARG 38 Cb 0.49 -1.31 0.20 0.00 0.45 0.00 0.00 32.46 32.29 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 -2.47 -6.79 -4.41 0.00 1.13 -1.20 -4.94 117.38 98.70 1x4k n GLN 40 Ca 0.03 0.77 -0.29 0.00 -1.94 0.00 0.00 57.00 55.57 1x4k n GLN 40 Cb 0.48 -5.61 -0.12 0.00 0.11 0.00 0.00 30.24 25.10 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 -5.78 1.68 -0.95 -1.09 -1.52 -1.26 -4.60 119.66 106.13 1x4k s GLN 41 Ca 0.30 -1.21 -0.24 0.00 -1.95 0.00 0.00 55.36 52.26 1x4k s GLN 41 Cb -0.13 -2.04 -0.05 0.00 -0.22 0.00 0.00 33.01 30.56 1x4k s GLN 41 CO 0.67 0.48 1.95 -1.25 -0.25 0.00 0.00 175.29 176.88 1x4k s PRO 42 N -1.99 2.54 0.06 2.91 0.04 -1.26 0.77 135.00 138.07 1x4k s PRO 42 Ca 0.16 -0.45 -0.20 0.00 0.04 0.00 0.00 61.00 60.55 1x4k s PRO 42 Cb -0.10 -5.10 -0.08 0.00 0.04 0.00 0.00 34.50 29.26 1x4k s PRO 42 CO 0.08 -3.49 1.32 0.82 0.04 0.00 0.00 177.00 175.77 1x4k h ILE 43 N 7.07 0.00 0.00 0.56 2.04 -1.87 -3.48 117.51 121.83 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 -1.28 0.91 2.46 5.37 0.00 -1.26 -4.34 105.19 107.04 1x4k n GLY 44 Ca -0.05 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 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 1.85 -3.82 2.61 -2.24 -1.26 -5.05 114.28 106.37 1x4k n THR 45 Ca 0.00 -3.61 -0.23 0.00 -2.27 0.00 0.00 64.05 57.94 1x4k n THR 45 Cb 0.00 0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.24 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 -3.65 2.39 -0.44 -0.78 -2.85 -1.26 -5.02 119.74 108.13 1x4k s LYS 46 Ca 0.38 -1.69 -0.36 0.00 -1.00 0.00 0.00 55.97 53.31 1x4k s LYS 46 Cb 0.37 -2.20 -0.13 0.00 -2.06 0.00 0.00 37.83 33.81 1x4k s LYS 46 CO -0.01 -0.18 2.24 0.45 0.10 0.00 0.00 175.35 177.95 1x4k n SER 47 N -1.43 1.72 -3.78 0.03 2.88 -1.26 -4.90 113.62 106.88 1x4k n SER 47 Ca 0.01 0.38 -0.13 0.00 -1.33 0.00 0.00 58.87 57.80 1x4k n SER 47 Cb 0.63 -1.19 -0.10 0.00 -0.75 0.00 0.00 64.21 62.80 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 7.56 -0.22 -0.51 0.66 -0.71 -1.26 -3.94 117.98 119.56 1x4k s PHE 48 Ca 1.13 0.46 -0.17 0.00 -1.04 0.00 0.00 56.93 57.30 1x4k s PHE 48 Cb -0.97 0.08 0.08 0.00 -1.21 0.00 0.00 43.02 41.01 1x4k s PHE 48 CO 0.51 -0.27 0.53 0.42 -1.34 0.00 0.00 175.22 175.07 1x4k s ILE 49 N -0.66 5.06 -0.14 -4.49 1.09 -0.33 -4.95 121.20 116.78 1x4k s ILE 49 Ca -0.08 -0.94 -0.29 0.00 -1.10 0.00 0.00 60.65 58.24 1x4k s ILE 49 Cb -0.04 -4.27 -0.04 0.00 -1.06 0.00 0.00 42.46 37.06 1x4k s ILE 49 CO 0.02 -0.78 1.55 -2.16 -0.10 0.00 0.00 174.94 173.48 1x4k s PRO 50 N 2.10 4.05 0.42 2.79 0.04 -1.26 -2.56 135.00 140.58 1x4k s PRO 50 Ca 0.08 1.87 -0.15 0.00 0.04 0.00 0.00 61.00 62.85 1x4k s PRO 50 Cb -0.24 -3.96 -0.08 0.00 0.04 0.00 0.00 34.50 30.27 1x4k s PRO 50 CO 0.08 -0.98 0.85 0.21 0.04 0.00 0.00 177.00 177.19 1x4k s LYS 51 N 4.16 3.95 0.03 4.56 2.47 0.30 -4.96 119.74 130.25 1x4k s LYS 51 Ca 0.69 0.75 -0.05 0.00 -1.56 0.00 0.00 55.97 55.80 1x4k s LYS 51 Cb -0.28 -2.30 -0.01 0.00 -1.46 0.00 0.00 37.83 33.78 1x4k s LYS 51 CO 0.26 -0.05 0.65 -0.25 0.16 0.00 0.00 175.35 176.12 1x4k n ASP 52 N -1.03 -0.17 -0.57 1.43 9.92 -1.26 -1.71 116.55 123.16 1x4k n ASP 52 Ca 0.04 0.69 0.06 0.00 -0.53 0.00 0.00 54.79 55.06 1x4k n ASP 52 Cb 0.54 -0.24 0.19 0.00 -0.64 0.00 0.00 41.12 40.97 1x4k n ASP 52 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1x4k n ASN 53 N -3.17 1.75 -3.22 -2.24 5.15 -1.26 -5.04 115.26 107.22 1x4k n ASN 53 Ca 0.00 -3.69 -0.12 0.00 -0.60 0.00 0.00 54.58 50.18 1x4k n ASN 53 Cb 0.04 -0.50 -0.02 0.00 -0.53 0.00 0.00 39.78 38.77 1x4k n ASN 53 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1x4k s GLN 54 N -3.01 2.00 -0.03 1.20 -0.21 -0.69 -5.17 119.66 113.74 1x4k s GLN 54 Ca 0.37 -1.56 0.01 0.00 0.02 0.00 0.00 55.36 54.19 1x4k s GLN 54 Cb 0.36 0.52 0.01 0.00 1.00 0.00 0.00 33.01 34.90 1x4k s GLN 54 CO -0.06 -0.87 -0.04 -0.80 -2.12 0.00 0.00 175.29 171.40 1x4k s ASN 55 N -3.14 0.71 -0.05 5.90 -0.87 -1.26 0.11 114.94 116.33 1x4k s ASN 55 Ca 0.23 -0.10 -0.02 0.00 -1.57 0.00 0.00 52.86 51.41 1x4k s ASN 55 Cb -0.02 -0.26 0.03 0.00 -0.02 0.00 0.00 41.25 40.98 1x4k s ASN 55 CO 0.15 -0.01 0.11 -0.36 -2.57 0.00 0.00 177.10 174.42 1x4k s PHE 56 N 0.52 -0.11 1.15 2.20 0.08 -1.06 -1.43 117.98 119.33 1x4k s PHE 56 Ca -0.06 0.37 -0.19 0.00 0.12 0.00 0.00 56.93 57.17 1x4k s PHE 56 Cb -0.10 -0.11 0.30 0.00 -0.57 0.00 0.00 43.02 42.54 1x4k s PHE 56 CO -0.00 -0.13 0.75 0.00 -0.10 0.00 0.00 175.22 175.73 1x4k h VAL 58 N -3.14 1.24 0.00 0.00 2.07 -1.93 0.31 116.25 114.79 1x4k h VAL 58 Ca -0.32 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 66.44 1x4k h VAL 58 Cb 1.06 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 1x4k h VAL 58 CO 0.20 0.18 -0.28 1.55 0.02 0.00 0.00 177.57 179.25 1x4k h PRO 59 N -0.28 0.00 0.00 1.57 0.13 -1.92 -2.15 132.00 129.34 1x4k h PRO 59 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 1x4k h PRO 59 Cb 0.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.42 1x4k h PRO 59 CO 0.00 0.28 -0.40 0.00 -0.23 0.00 0.00 178.00 177.65 1x4k h TYR 61 N -1.00 -0.42 -0.86 0.00 3.20 -0.45 -2.14 116.97 115.30 1x4k h TYR 61 Ca -0.08 0.02 0.22 0.00 3.14 0.00 0.00 58.73 62.03 1x4k h TYR 61 Cb 0.71 0.19 -0.14 0.00 1.54 0.00 0.00 36.73 39.03 1x4k h TYR 61 CO 0.07 -0.23 0.19 0.93 -1.64 0.00 0.00 178.16 177.47 1x4k h GLU 62 N -0.24 0.18 -0.48 1.82 4.39 -1.57 0.20 114.58 118.89 1x4k h GLU 62 Ca 0.07 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.83 1x4k h GLU 62 Cb 0.33 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.88 1x4k h GLU 62 CO -0.19 0.12 0.13 0.87 -1.16 0.00 0.00 179.01 178.78 1x4k h LYS 63 N 0.19 0.27 -0.59 2.33 1.57 -1.47 -1.88 116.57 116.98 1x4k h LYS 63 Ca 0.53 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.39 1x4k h LYS 63 Cb 1.05 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 33.22 1x4k h LYS 63 CO -0.66 0.18 0.18 1.96 -0.57 0.00 0.00 179.45 180.53 1x4k h GLN 64 N 0.27 0.32 -1.50 3.15 4.20 -0.47 -1.01 115.11 120.08 1x4k h GLN 64 Ca 0.23 -0.02 -0.45 0.00 0.06 0.00 0.00 58.65 58.47 1x4k h GLN 64 Cb 0.28 -0.07 -0.18 0.00 0.30 0.00 0.00 27.48 27.81 1x4k h GLN 64 CO -0.28 0.21 0.55 1.58 -0.67 0.00 0.00 178.83 180.22 1x4k n HIS 65 N -5.06 2.00 -3.88 2.96 -0.00 -0.73 -4.89 115.22 105.62 1x4k n HIS 65 Ca 0.08 -2.23 -0.09 0.00 0.46 0.00 0.00 57.72 55.94 1x4k n HIS 65 Cb 0.28 -1.15 -0.06 0.00 -0.12 0.00 0.00 29.99 28.94 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 -2.36 -0.29 0.32 1.57 0.00 -0.38 -4.99 121.76 115.63 1x4k s ALA 66 Ca 0.44 -0.65 0.07 0.00 0.00 0.00 0.00 51.96 51.82 1x4k s ALA 66 Cb 0.34 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 24.23 1x4k s ALA 66 CO -0.06 -0.66 0.31 -1.54 0.00 0.00 0.00 175.76 173.80 1x4k s SER 67 N -2.92 5.45 -0.82 0.00 1.04 -1.26 -4.95 113.70 110.23 1x4k s SER 67 Ca 0.13 -0.40 -0.03 0.00 0.48 0.00 0.00 55.95 56.13 1x4k s SER 67 Cb 0.02 -1.09 0.21 0.00 0.10 0.00 0.00 66.02 65.26 1x4k s SER 67 CO -0.03 -0.32 0.69 -0.83 0.98 0.00 0.00 173.24 173.74 1x4k s GLY 68 N -4.00 2.91 0.00 7.32 0.00 -1.26 -4.88 107.32 107.40 1x4k s GLY 68 Ca 0.40 -3.67 0.11 0.00 0.00 0.00 0.00 44.72 41.57 1x4k s GLY 68 CO 0.27 1.17 1.11 -1.55 0.00 0.00 0.00 173.10 174.10 1x4k n PRO 69 N 2.71 0.49 -4.29 2.90 -0.04 -1.26 -4.74 135.00 130.77 1x4k n PRO 69 Ca 0.18 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.47 1x4k n PRO 69 Cb 0.38 -1.36 -0.09 0.00 -0.04 0.00 0.00 33.50 32.38 1x4k n PRO 69 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x4k s SER 70 N -1.87 1.09 -0.12 3.54 0.01 -1.26 -5.10 113.70 109.99 1x4k s SER 70 Ca 0.17 -1.51 -0.40 0.00 1.31 0.00 0.00 55.95 55.52 1x4k s SER 70 Cb 0.08 0.37 -0.18 0.00 0.21 0.00 0.00 66.02 66.50 1x4k s SER 70 CO 0.13 -0.87 1.40 -1.20 0.41 0.00 0.00 173.24 173.10 1x4k n SER 71 N -0.74 1.25 0.00 2.44 7.64 -1.26 -5.22 113.62 117.72 1x4k n SER 71 Ca 0.02 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1x4k n SER 71 Cb 0.65 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 1x4k n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64