#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 0.95 -0.08 1.61 2.88 -1.26 -4.89 113.62 112.83 1x4k n SER 2 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 1x4k n SER 2 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 1x4k n SER 2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1x4k h SER 3 N 0.00 0.00 -1.42 -3.46 0.02 -2.07 -3.48 113.55 103.14 1x4k h SER 3 Ca 0.00 -0.74 -0.52 0.00 -0.84 0.00 0.00 61.79 59.69 1x4k h SER 3 Cb 0.68 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.17 1x4k h SER 3 CO 0.00 1.09 -0.39 -0.83 -1.14 0.00 0.00 176.83 175.56 1x4k s GLY 4 N -4.35 2.20 -0.04 -3.77 0.00 -1.26 -5.09 107.32 95.02 1x4k s GLY 4 Ca -0.20 -1.88 -0.07 0.00 0.00 0.00 0.00 44.72 42.57 1x4k s GLY 4 CO 0.59 -1.77 -0.14 1.44 0.00 0.00 0.00 173.10 173.22 1x4k n SER 5 N -1.51 1.07 -4.86 1.64 7.64 -1.26 -3.40 113.62 112.93 1x4k n SER 5 Ca 0.02 0.17 -0.32 0.00 1.01 0.00 0.00 58.87 59.75 1x4k n SER 5 Cb 0.63 -0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 63.29 1x4k n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4k s SER 6 N -5.44 6.69 0.21 6.43 0.01 -1.26 -4.47 113.70 115.86 1x4k s SER 6 Ca -0.11 1.11 0.00 0.00 1.31 0.00 0.00 55.95 58.26 1x4k s SER 6 Cb 0.02 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 1x4k s SER 6 CO 0.17 -0.16 0.09 -0.83 0.41 0.00 0.00 173.24 172.92 1x4k s GLY 7 N -2.37 1.45 0.43 3.44 0.00 -1.26 -3.01 107.32 105.99 1x4k s GLY 7 Ca 0.51 -1.71 -0.01 0.00 0.00 0.00 0.00 44.72 43.51 1x4k s GLY 7 CO 0.20 -1.47 0.67 0.00 0.00 0.00 0.00 173.10 172.50 1x4k n GLN 9 N -2.06 1.70 0.00 0.00 3.00 -1.17 -3.66 117.38 115.21 1x4k n GLN 9 Ca -0.00 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1x4k n GLN 9 Cb 0.57 -1.26 0.00 0.00 0.00 0.00 0.00 30.24 29.55 1x4k n GLN 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1x4k n GLU 10 N -2.54 0.00 0.01 -1.09 4.07 -1.26 -3.76 120.64 116.07 1x4k n GLU 10 Ca -0.19 0.49 0.12 0.00 -0.06 0.00 0.00 57.16 57.52 1x4k n GLU 10 Cb 0.80 -1.49 0.20 0.00 -0.06 0.00 0.00 31.44 30.90 1x4k n GLU 10 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1x4k n LYS 12 N -1.61 -5.93 -5.25 0.00 4.76 -1.24 -5.02 118.16 103.87 1x4k n LYS 12 Ca 0.05 0.69 -0.31 0.00 -2.87 0.00 0.00 58.31 55.87 1x4k n LYS 12 Cb 0.36 -5.29 -0.16 0.00 -1.84 0.00 0.00 35.03 28.09 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 -5.51 2.44 -0.33 1.97 -0.14 -1.26 -4.84 119.74 112.07 1x4k s LYS 13 Ca 0.20 -0.89 -0.41 0.00 -1.36 0.00 0.00 55.97 53.50 1x4k s LYS 13 Cb -0.09 -2.11 -0.16 0.00 -1.68 0.00 0.00 37.83 33.80 1x4k s LYS 13 CO 0.60 0.40 1.80 2.41 -0.76 0.00 0.00 175.35 179.80 1x4k n THR 14 N 2.88 0.24 -2.79 2.17 -1.04 -1.26 -2.22 114.28 112.27 1x4k n THR 14 Ca -0.17 -0.07 -0.43 0.00 -2.04 0.00 0.00 64.05 61.35 1x4k n THR 14 Cb 0.52 -1.13 -0.04 0.00 -1.82 0.00 0.00 70.33 67.86 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 4.02 4.34 0.81 12.58 1.01 -1.16 -4.87 121.20 137.92 1x4k s ILE 15 Ca 1.02 0.49 -0.15 0.00 0.00 0.00 0.00 60.65 62.01 1x4k s ILE 15 Cb -1.13 -4.55 0.01 0.00 0.01 0.00 0.00 42.46 36.80 1x4k s ILE 15 CO 0.66 -1.10 0.67 0.23 0.00 0.00 0.00 174.94 175.41 1x4k n MET 16 N 7.57 0.12 -0.02 2.79 2.81 -1.26 -4.75 117.12 124.38 1x4k n MET 16 Ca 0.04 0.09 -0.13 0.00 -1.81 0.00 0.00 57.70 55.89 1x4k n MET 16 Cb 0.48 -2.00 -0.09 0.00 -0.71 0.00 0.00 33.22 30.90 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 -0.82 0.10 -0.62 0.03 0.13 -1.96 -3.27 132.00 125.58 1x4k h PRO 17 Ca -0.45 -0.05 0.13 0.00 -0.87 0.00 0.00 66.00 64.75 1x4k h PRO 17 Cb 1.32 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.35 1x4k h PRO 17 CO 0.41 0.56 0.07 0.78 -0.23 0.00 0.00 178.00 179.59 1x4k h GLY 18 N -0.36 0.74 -1.77 1.56 0.00 -2.04 -3.42 103.07 97.78 1x4k h GLY 18 Ca 0.01 0.02 -0.51 0.00 0.00 0.00 0.00 47.33 46.85 1x4k h GLY 18 CO 0.01 -0.17 0.39 -1.08 0.00 0.00 0.00 176.54 175.69 1x4k s THR 19 N -6.12 2.98 0.03 4.70 -1.32 -1.23 -5.02 115.64 109.65 1x4k s THR 19 Ca -0.13 0.48 -0.11 0.00 -1.21 0.00 0.00 61.69 60.71 1x4k s THR 19 Cb 0.19 -3.03 -0.06 0.00 -1.51 0.00 0.00 72.50 68.10 1x4k s THR 19 CO 0.74 -0.25 0.38 -0.13 -2.21 0.00 0.00 174.62 173.15 1x4k s ARG 20 N -3.93 3.80 0.03 7.08 0.52 -1.26 -4.86 118.95 120.32 1x4k s ARG 20 Ca 0.70 0.24 -0.00 0.00 -0.52 0.00 0.00 55.73 56.15 1x4k s ARG 20 Cb -0.23 -3.10 -0.03 0.00 0.52 0.00 0.00 34.95 32.11 1x4k s ARG 20 CO 0.41 0.63 -0.03 -1.59 0.02 0.00 0.00 175.30 174.73 1x4k s LYS 21 N -1.53 0.41 0.40 3.54 -2.85 -1.26 -2.56 119.74 115.89 1x4k s LYS 21 Ca 0.28 -0.80 -0.06 0.00 -1.00 0.00 0.00 55.97 54.40 1x4k s LYS 21 Cb -0.15 0.13 -0.05 0.00 -2.06 0.00 0.00 37.83 35.70 1x4k s LYS 21 CO 0.15 -0.07 0.71 -1.64 0.10 0.00 0.00 175.35 174.60 1x4k s MET 22 N -2.19 3.62 -0.16 1.78 -1.94 0.17 -4.87 119.30 115.70 1x4k s MET 22 Ca -0.09 0.18 -0.01 0.00 -1.71 0.00 0.00 55.69 54.06 1x4k s MET 22 Cb -0.05 -2.47 0.04 0.00 2.01 0.00 0.00 34.83 34.37 1x4k s MET 22 CO -0.04 -0.03 -0.02 -1.21 -0.01 0.00 0.00 175.02 173.71 1x4k s GLU 23 N -4.19 1.12 0.01 2.03 2.02 -1.26 -0.62 118.70 117.81 1x4k s GLU 23 Ca 0.47 -0.42 -0.02 0.00 0.02 0.00 0.00 54.97 55.01 1x4k s GLU 23 Cb -0.10 -1.91 -0.01 0.00 0.10 0.00 0.00 34.13 32.21 1x4k s GLU 23 CO 0.37 -0.47 0.03 -0.47 0.02 0.00 0.00 175.26 174.73 1x4k s TYR 24 N 1.73 0.15 -1.28 1.61 5.04 0.18 -4.85 117.35 119.92 1x4k s TYR 24 Ca 0.01 -0.31 -0.14 0.00 -2.44 0.00 0.00 57.07 54.19 1x4k s TYR 24 Cb -0.15 -0.12 0.13 0.00 0.35 0.00 0.00 41.96 42.17 1x4k s TYR 24 CO -0.07 -0.19 0.46 1.63 -1.34 0.00 0.00 175.55 176.04 1x4k n LYS 25 N 1.82 -2.30 0.00 4.97 4.76 -1.26 0.10 118.16 126.25 1x4k n LYS 25 Ca -0.22 0.24 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1x4k n LYS 25 Cb 0.56 -4.86 0.00 0.00 -1.84 0.00 0.00 35.03 28.89 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 -1.01 1.47 3.81 0.72 0.00 -1.26 -4.96 105.19 103.95 1x4k n GLY 26 Ca 0.05 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 6.42 0.20 1.61 0.01 0.11 -5.05 113.70 117.02 1x4k s SER 27 Ca 0.00 1.84 0.07 0.00 1.31 0.00 0.00 55.95 59.16 1x4k s SER 27 Cb 0.00 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 1x4k s SER 27 CO 0.00 -0.72 0.10 -0.44 0.41 0.00 0.00 173.24 172.58 1x4k s SER 28 N -2.20 5.20 -0.02 2.44 0.01 -1.26 -0.64 113.70 117.22 1x4k s SER 28 Ca 0.65 -0.29 -0.01 0.00 1.31 0.00 0.00 55.95 57.61 1x4k s SER 28 Cb -0.14 -1.24 0.01 0.00 0.21 0.00 0.00 66.02 64.86 1x4k s SER 28 CO 0.21 0.04 0.03 0.26 0.41 0.00 0.00 173.24 174.20 1x4k s TRP 29 N -1.90 -0.01 0.96 2.43 0.51 0.21 -3.02 118.94 118.12 1x4k s TRP 29 Ca 0.30 0.11 -0.14 0.00 -2.12 0.00 0.00 56.10 54.26 1x4k s TRP 29 Cb -0.09 -0.08 0.10 0.00 -0.81 0.00 0.00 33.47 32.59 1x4k s TRP 29 CO 0.22 -0.05 0.05 0.72 -0.51 0.00 0.00 176.95 177.38 1x4k n HIS 30 N 3.53 -1.99 0.11 -1.98 8.25 -1.26 0.45 115.22 122.33 1x4k n HIS 30 Ca -0.18 0.16 -0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1x4k n HIS 30 Cb 0.56 -1.41 -0.02 0.00 1.12 0.00 0.00 29.99 30.24 1x4k n HIS 30 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1x4k h GLU 31 N -2.35 0.00 -0.30 -0.41 4.81 -1.87 -3.20 114.58 111.26 1x4k h GLU 31 Ca -0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1x4k h GLU 31 Cb 0.82 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1x4k h GLU 31 CO 0.17 0.61 0.00 0.25 -0.73 0.00 0.00 179.01 179.31 1x4k n THR 32 N -3.23 1.76 -0.02 0.32 -2.24 -1.26 -4.44 114.28 105.17 1x4k n THR 32 Ca 0.01 -1.50 0.01 0.00 -2.27 0.00 0.00 64.05 60.29 1x4k n THR 32 Cb 0.79 0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 69.03 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 -1.97 0.26 -0.75 0.00 7.35 -1.21 -4.90 117.46 116.24 1x4k n PHE 34 Ca -0.06 -0.09 -0.33 0.00 -0.76 0.00 0.00 57.45 56.21 1x4k n PHE 34 Cb 0.42 -0.14 0.14 0.00 0.35 0.00 0.00 39.48 40.25 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 0.06 0.00 -1.15 -2.13 -6.64 -1.26 -4.49 119.36 103.75 1x4k n ILE 35 Ca 0.04 -0.26 -0.29 0.00 -1.77 0.00 0.00 62.75 60.47 1x4k n ILE 35 Cb 0.35 -0.54 0.16 0.00 -1.44 0.00 0.00 39.64 38.17 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 -4.03 0.06 -0.07 0.00 8.25 -0.69 -3.25 115.22 115.48 1x4k n HIS 37 Ca 0.06 0.02 -0.07 0.00 -0.26 0.00 0.00 57.72 57.47 1x4k n HIS 37 Cb 0.56 -0.39 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 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 -2.07 0.43 0.16 -0.41 0.63 -1.26 -4.62 116.66 109.52 1x4k n ARG 38 Ca -0.02 0.17 0.12 0.00 -0.92 0.00 0.00 57.85 57.21 1x4k n ARG 38 Cb 0.50 -1.25 0.20 0.00 0.45 0.00 0.00 32.46 32.36 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 -2.75 -6.63 -4.53 0.00 1.13 -1.20 -4.94 117.38 98.46 1x4k n GLN 40 Ca 0.04 0.75 -0.29 0.00 -1.94 0.00 0.00 57.00 55.55 1x4k n GLN 40 Cb 0.50 -5.52 -0.13 0.00 0.11 0.00 0.00 30.24 25.20 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 1.54 -1.12 -1.09 -0.21 -1.26 -4.62 119.66 107.11 1x4k s GLN 41 Ca 0.31 -1.27 -0.23 0.00 0.02 0.00 0.00 55.36 54.19 1x4k s GLN 41 Cb -0.14 -1.94 -0.08 0.00 1.00 0.00 0.00 33.01 31.86 1x4k s GLN 41 CO 0.65 0.47 1.94 -1.25 -2.12 0.00 0.00 175.29 174.98 1x4k s PRO 42 N -1.84 2.52 0.18 2.91 0.04 -1.26 0.63 135.00 138.18 1x4k s PRO 42 Ca 0.14 -0.98 -0.24 0.00 0.04 0.00 0.00 61.00 59.96 1x4k s PRO 42 Cb -0.10 -5.21 0.08 0.00 0.04 0.00 0.00 34.50 29.31 1x4k s PRO 42 CO 0.05 -3.84 1.56 0.82 0.04 0.00 0.00 177.00 175.64 1x4k h ILE 43 N 6.41 0.07 0.00 0.56 2.04 -1.90 -3.46 117.51 121.24 1x4k h ILE 43 Ca 0.19 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.05 1x4k h ILE 43 Cb 0.95 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1x4k h ILE 43 CO 1.22 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.98 1x4k n GLY 44 N -1.41 1.76 2.79 5.37 0.00 -1.26 -4.32 105.19 108.12 1x4k n GLY 44 Ca 0.04 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 1x4k n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x4k s THR 45 N 0.00 2.09 0.25 2.61 -4.23 -1.26 -5.05 115.64 110.05 1x4k s THR 45 Ca 0.00 -3.42 -0.21 0.00 -1.18 0.00 0.00 61.69 56.88 1x4k s THR 45 Cb 0.00 -2.41 0.03 0.00 1.34 0.00 0.00 72.50 71.46 1x4k s THR 45 CO 0.00 -0.97 0.68 -1.59 -0.54 0.00 0.00 174.62 172.20 1x4k s LYS 46 N -0.55 1.66 -0.52 3.99 -2.85 -1.26 -5.09 119.74 115.12 1x4k s LYS 46 Ca 0.23 -0.88 -0.35 0.00 -1.00 0.00 0.00 55.97 53.97 1x4k s LYS 46 Cb -0.13 0.60 -0.14 0.00 -2.06 0.00 0.00 37.83 36.10 1x4k s LYS 46 CO -0.09 -0.75 2.30 0.43 0.10 0.00 0.00 175.35 177.34 1x4k n SER 47 N -0.44 1.54 -3.78 0.03 7.64 -1.26 -4.89 113.62 112.46 1x4k n SER 47 Ca -0.07 0.31 -0.13 0.00 1.01 0.00 0.00 58.87 59.99 1x4k n SER 47 Cb 0.60 -1.17 -0.11 0.00 -1.01 0.00 0.00 64.21 62.53 1x4k n SER 47 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1x4k s PHE 48 N 7.97 -0.25 -0.47 1.43 -0.71 -1.26 -3.42 117.98 121.27 1x4k s PHE 48 Ca 1.15 0.57 -0.16 0.00 -1.04 0.00 0.00 56.93 57.45 1x4k s PHE 48 Cb -0.97 0.09 0.07 0.00 -1.21 0.00 0.00 43.02 40.99 1x4k s PHE 48 CO 0.50 -0.21 0.42 0.42 -1.34 0.00 0.00 175.22 175.00 1x4k s ILE 49 N -0.28 5.20 -0.15 -4.49 1.09 0.74 -4.91 121.20 118.40 1x4k s ILE 49 Ca -0.04 -1.00 -0.29 0.00 -1.10 0.00 0.00 60.65 58.21 1x4k s ILE 49 Cb -0.03 -4.14 -0.03 0.00 -1.06 0.00 0.00 42.46 37.19 1x4k s ILE 49 CO 0.01 -0.60 1.56 -2.16 -0.10 0.00 0.00 174.94 173.66 1x4k s PRO 50 N 1.73 4.02 0.44 2.79 0.04 -1.26 -2.25 135.00 140.51 1x4k s PRO 50 Ca 0.05 1.85 -0.12 0.00 0.04 0.00 0.00 61.00 62.82 1x4k s PRO 50 Cb -0.24 -3.97 -0.07 0.00 0.04 0.00 0.00 34.50 30.27 1x4k s PRO 50 CO 0.07 -1.02 0.83 0.21 0.04 0.00 0.00 177.00 177.13 1x4k s LYS 51 N 4.22 3.83 0.03 4.56 2.47 0.34 -4.96 119.74 130.23 1x4k s LYS 51 Ca 0.69 0.61 -0.06 0.00 -1.56 0.00 0.00 55.97 55.65 1x4k s LYS 51 Cb -0.27 -2.32 -0.01 0.00 -1.46 0.00 0.00 37.83 33.77 1x4k s LYS 51 CO 0.26 -0.11 0.78 -0.25 0.16 0.00 0.00 175.35 176.20 1x4k n ASP 52 N -1.38 -0.20 -0.54 1.43 9.92 -1.26 -1.90 116.55 122.61 1x4k n ASP 52 Ca 0.04 0.83 0.06 0.00 -0.53 0.00 0.00 54.79 55.18 1x4k n ASP 52 Cb 0.54 -0.29 0.20 0.00 -0.64 0.00 0.00 41.12 40.93 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 -3.28 1.93 -3.46 -2.24 2.85 -1.26 -5.03 115.26 104.77 1x4k n ASN 53 Ca 0.00 -3.72 -0.11 0.00 -0.11 0.00 0.00 54.58 50.64 1x4k n ASN 53 Cb 0.05 -0.52 -0.03 0.00 1.24 0.00 0.00 39.78 40.52 1x4k n ASN 53 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1x4k s GLN 54 N -3.16 1.86 -0.06 1.20 -0.21 -0.80 -5.17 119.66 113.33 1x4k s GLN 54 Ca 0.37 -1.47 -0.00 0.00 0.02 0.00 0.00 55.36 54.28 1x4k s GLN 54 Cb 0.35 0.51 0.03 0.00 1.00 0.00 0.00 33.01 34.90 1x4k s GLN 54 CO -0.04 -0.80 -0.01 -0.80 -2.12 0.00 0.00 175.29 171.51 1x4k s ASN 55 N -3.11 1.21 -0.03 5.90 0.01 -1.26 0.13 114.94 117.80 1x4k s ASN 55 Ca 0.23 -0.09 0.02 0.00 -0.71 0.00 0.00 52.86 52.31 1x4k s ASN 55 Cb -0.02 -0.41 0.01 0.00 0.41 0.00 0.00 41.25 41.24 1x4k s ASN 55 CO 0.14 -0.14 -0.07 -0.36 -1.51 0.00 0.00 177.10 175.16 1x4k s PHE 56 N 1.51 0.79 0.92 2.20 0.08 -0.95 -1.70 117.98 120.82 1x4k s PHE 56 Ca -0.02 -0.20 -0.15 0.00 0.12 0.00 0.00 56.93 56.68 1x4k s PHE 56 Cb -0.13 -0.61 0.24 0.00 -0.57 0.00 0.00 43.02 41.95 1x4k s PHE 56 CO -0.03 -0.12 0.65 0.00 -0.10 0.00 0.00 175.22 175.63 1x4k h VAL 58 N -2.77 0.96 0.00 0.00 2.07 -1.91 0.29 116.25 114.88 1x4k h VAL 58 Ca -0.27 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1x4k h VAL 58 Cb 0.88 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1x4k h VAL 58 CO 0.17 0.16 0.00 1.55 0.02 0.00 0.00 177.57 179.47 1x4k h PRO 59 N -0.58 0.00 0.00 1.57 0.13 -1.93 -2.42 132.00 128.78 1x4k h PRO 59 Ca -0.02 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.86 1x4k h PRO 59 Cb 0.43 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.53 1x4k h PRO 59 CO 0.04 0.00 -1.42 0.00 -0.23 0.00 0.00 178.00 176.38 1x4k h TYR 61 N -1.00 0.85 -0.89 0.00 3.20 -0.45 -1.92 116.97 116.76 1x4k h TYR 61 Ca -0.37 0.03 0.17 0.00 3.14 0.00 0.00 58.73 61.69 1x4k h TYR 61 Cb 1.27 -0.27 -0.10 0.00 1.54 0.00 0.00 36.73 39.17 1x4k h TYR 61 CO 0.01 0.44 0.47 0.93 -1.64 0.00 0.00 178.16 178.37 1x4k h GLU 62 N 0.86 0.61 -0.08 1.82 4.39 -1.63 -1.13 114.58 119.42 1x4k h GLU 62 Ca 0.33 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1x4k h GLU 62 Cb 0.13 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1x4k h GLU 62 CO -0.16 0.40 0.05 0.87 -1.16 0.00 0.00 179.01 179.02 1x4k h LYS 63 N 0.63 0.10 -0.77 2.33 1.57 -1.50 0.16 116.57 119.08 1x4k h LYS 63 Ca 0.50 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.39 1x4k h LYS 63 Cb 0.76 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.96 1x4k h LYS 63 CO -0.39 0.07 0.38 1.96 -0.57 0.00 0.00 179.45 180.90 1x4k h GLN 64 N 0.10 0.58 0.17 3.15 1.08 -1.10 -2.69 115.11 116.41 1x4k h GLN 64 Ca 0.03 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1x4k h GLN 64 Cb -0.01 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.29 1x4k h GLN 64 CO -0.01 0.39 -0.08 1.25 -0.95 0.00 0.00 178.83 179.43 1x4k h HIS 65 N 0.60 -0.21 -3.07 2.96 2.76 -1.05 -3.42 115.15 113.72 1x4k h HIS 65 Ca 0.40 -0.01 -0.57 0.00 -2.20 0.00 0.00 60.37 58.00 1x4k h HIS 65 Cb 0.50 0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.48 1x4k h HIS 65 CO -0.11 0.20 0.89 0.00 -1.30 0.00 0.00 177.93 177.62 1x4k s ALA 66 N -4.16 3.57 -0.09 5.26 0.00 0.53 -5.02 121.76 121.85 1x4k s ALA 66 Ca -0.14 0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.09 1x4k s ALA 66 Cb 0.01 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 1x4k s ALA 66 CO 0.54 -1.35 -0.22 -1.54 0.00 0.00 0.00 175.76 173.19 1x4k s SER 67 N 1.97 3.29 0.00 0.00 1.04 -1.26 -4.68 113.70 114.06 1x4k s SER 67 Ca 0.51 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1x4k s SER 67 Cb -0.17 -1.26 0.00 0.00 0.10 0.00 0.00 66.02 64.69 1x4k s SER 67 CO 0.15 0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.17 1x4k n GLY 68 N 3.30 -2.35 0.00 7.32 0.00 -1.26 -4.94 105.19 107.26 1x4k n GLY 68 Ca -0.18 0.83 0.07 0.00 0.00 0.00 0.00 46.02 46.73 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 0.00 0.49 -1.50 1.61 -0.04 -1.26 -4.69 135.00 129.61 1x4k n PRO 69 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1x4k n PRO 69 Cb 0.00 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 31.94 1x4k n PRO 69 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x4k n SER 70 N -0.92 0.83 -3.78 3.54 7.64 -1.26 -4.79 113.62 114.88 1x4k n SER 70 Ca 0.10 -1.80 -0.29 0.00 1.01 0.00 0.00 58.87 57.89 1x4k n SER 70 Cb 0.05 -1.46 -0.13 0.00 -1.01 0.00 0.00 64.21 61.66 1x4k n SER 70 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4k s SER 71 N 7.57 3.84 0.00 6.43 0.15 -1.26 -5.19 113.70 125.24 1x4k s SER 71 Ca 0.82 -2.95 0.00 0.00 0.70 0.00 0.00 55.95 54.51 1x4k s SER 71 Cb -0.16 -1.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.91 1x4k s SER 71 CO 0.17 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.00