#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 -0.30 0.08 1.61 1.04 -1.26 -5.17 113.70 109.70 1x4k s SER 2 Ca 0.00 0.53 0.04 0.00 0.48 0.00 0.00 55.95 57.00 1x4k s SER 2 Cb 0.00 0.80 -0.04 0.00 0.10 0.00 0.00 66.02 66.88 1x4k s SER 2 CO 0.00 -0.09 0.03 -0.44 0.98 0.00 0.00 173.24 173.73 1x4k s SER 3 N 0.62 5.25 -0.31 7.02 0.01 -1.26 -5.10 113.70 119.93 1x4k s SER 3 Ca -0.01 -0.09 0.04 0.00 1.31 0.00 0.00 55.95 57.20 1x4k s SER 3 Cb -0.04 -1.33 0.20 0.00 0.21 0.00 0.00 66.02 65.05 1x4k s SER 3 CO -0.12 0.18 0.65 -0.83 0.41 0.00 0.00 173.24 173.54 1x4k s GLY 4 N -2.28 -1.24 -0.20 3.44 0.00 -1.26 -5.04 107.32 100.74 1x4k s GLY 4 Ca 0.27 1.05 -0.21 0.00 0.00 0.00 0.00 44.72 45.83 1x4k s GLY 4 CO 0.19 3.74 0.19 1.48 0.00 0.00 0.00 173.10 178.71 1x4k h SER 5 N 7.73 0.00 -2.65 1.64 4.64 -1.99 -3.42 113.55 119.51 1x4k h SER 5 Ca -0.01 -0.47 -0.75 0.00 -0.47 0.00 0.00 61.79 60.08 1x4k h SER 5 Cb 1.19 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.07 1x4k h SER 5 CO 0.11 1.40 1.00 -0.44 -0.87 0.00 0.00 176.83 178.03 1x4k s SER 6 N -6.72 7.09 0.15 4.97 0.01 -1.26 -5.01 113.70 112.93 1x4k s SER 6 Ca -0.27 -3.06 0.02 0.00 1.31 0.00 0.00 55.95 53.95 1x4k s SER 6 Cb 0.05 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 1x4k s SER 6 CO 0.56 -0.64 0.29 -0.83 0.41 0.00 0.00 173.24 173.03 1x4k s GLY 7 N 2.46 1.76 0.69 3.44 0.00 -1.26 -1.82 107.32 112.59 1x4k s GLY 7 Ca 0.37 -0.99 -0.11 0.00 0.00 0.00 0.00 44.72 44.00 1x4k s GLY 7 CO -0.03 -0.98 1.07 0.00 0.00 0.00 0.00 173.10 173.16 1x4k n GLN 9 N -2.99 1.37 0.21 0.00 1.13 -0.76 -3.56 117.38 112.78 1x4k n GLN 9 Ca 0.07 0.03 -0.08 0.00 -1.94 0.00 0.00 57.00 55.08 1x4k n GLN 9 Cb 0.55 -1.26 -0.04 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 -0.52 -0.01 -1.09 4.57 -1.93 -3.28 114.58 112.33 1x4k h GLU 10 Ca -0.28 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 1x4k h GLU 10 Cb 1.54 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 30.25 1x4k h GLU 10 CO -0.01 -0.34 -0.35 0.00 -1.18 0.00 0.00 179.01 177.12 1x4k n LYS 12 N -0.39 -2.84 -4.08 0.00 4.76 -1.23 -4.99 118.16 109.39 1x4k n LYS 12 Ca 0.11 0.90 -0.33 0.00 -2.87 0.00 0.00 58.31 56.12 1x4k n LYS 12 Cb 0.40 -5.54 -0.07 0.00 -1.84 0.00 0.00 35.03 27.98 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 -5.24 3.13 -0.02 1.97 -0.14 -1.26 -4.74 119.74 113.43 1x4k s LYS 13 Ca 0.12 -0.44 -0.30 0.00 -1.36 0.00 0.00 55.97 53.99 1x4k s LYS 13 Cb -0.05 -2.90 -0.07 0.00 -1.68 0.00 0.00 37.83 33.12 1x4k s LYS 13 CO 0.15 0.66 1.86 0.99 -0.76 0.00 0.00 175.35 178.25 1x4k s THR 14 N -1.18 3.24 -0.13 2.17 2.01 -1.26 0.01 115.64 120.49 1x4k s THR 14 Ca 0.22 0.29 -0.26 0.00 0.31 0.00 0.00 61.69 62.25 1x4k s THR 14 Cb -0.12 -3.20 -0.02 0.00 0.01 0.00 0.00 72.50 69.17 1x4k s THR 14 CO 0.13 -0.04 0.85 -0.63 -0.69 0.00 0.00 174.62 174.24 1x4k s ILE 15 N 4.61 4.89 0.56 1.82 1.01 -0.75 -4.86 121.20 128.47 1x4k s ILE 15 Ca 0.83 1.69 -0.17 0.00 0.00 0.00 0.00 60.65 63.00 1x4k s ILE 15 Cb -0.38 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 37.88 1x4k s ILE 15 CO 0.36 0.07 1.05 -0.04 0.00 0.00 0.00 174.94 176.39 1x4k s MET 16 N 1.84 3.47 0.49 2.79 -1.94 -1.26 -4.77 119.30 119.93 1x4k s MET 16 Ca 0.40 1.27 0.28 0.00 -1.71 0.00 0.00 55.69 55.94 1x4k s MET 16 Cb -0.17 -2.05 1.18 0.00 2.01 0.00 0.00 34.83 35.80 1x4k s MET 16 CO 0.15 -0.69 1.93 -1.00 -0.01 0.00 0.00 175.02 175.40 1x4k h PRO 17 N 0.83 0.00 -0.21 2.03 0.13 -1.96 -3.17 132.00 129.65 1x4k h PRO 17 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1x4k h PRO 17 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1x4k h PRO 17 CO 0.58 0.13 0.01 0.78 -0.23 0.00 0.00 178.00 179.27 1x4k h GLY 18 N 1.82 0.40 -1.62 1.56 0.00 -2.04 -3.44 103.07 99.74 1x4k h GLY 18 Ca -0.00 -0.28 -0.49 0.00 0.00 0.00 0.00 47.33 46.56 1x4k h GLY 18 CO 0.02 0.26 0.39 -1.08 0.00 0.00 0.00 176.54 176.13 1x4k s THR 19 N -5.04 4.49 -0.18 4.70 -1.32 -1.20 -5.03 115.64 112.06 1x4k s THR 19 Ca -0.14 1.06 -0.22 0.00 -1.21 0.00 0.00 61.69 61.19 1x4k s THR 19 Cb 0.07 -3.71 -0.02 0.00 -1.51 0.00 0.00 72.50 67.32 1x4k s THR 19 CO 0.73 -0.81 0.66 0.00 -2.21 0.00 0.00 174.62 173.00 1x4k s ARG 20 N -4.42 4.24 0.39 7.08 1.70 -1.26 -4.86 118.95 121.82 1x4k s ARG 20 Ca 0.58 0.70 0.08 0.00 -0.47 0.00 0.00 55.73 56.61 1x4k s ARG 20 Cb -0.11 -3.57 -0.04 0.00 -0.57 0.00 0.00 34.95 30.67 1x4k s ARG 20 CO 0.39 -0.23 0.24 -1.59 -1.08 0.00 0.00 175.30 173.04 1x4k s LYS 21 N 1.85 2.39 -0.31 3.89 -2.85 -1.26 -3.32 119.74 120.13 1x4k s LYS 21 Ca 0.31 -1.64 -0.02 0.00 -1.00 0.00 0.00 55.97 53.61 1x4k s LYS 21 Cb -0.16 -2.19 0.06 0.00 -2.06 0.00 0.00 37.83 33.48 1x4k s LYS 21 CO 0.11 -0.08 0.03 -1.64 0.10 0.00 0.00 175.35 173.87 1x4k s MET 22 N -3.97 2.38 -0.36 1.78 -1.94 -0.61 -4.92 119.30 111.66 1x4k s MET 22 Ca 0.43 -1.33 -0.25 0.00 -1.71 0.00 0.00 55.69 52.83 1x4k s MET 22 Cb -0.00 -3.24 0.01 0.00 2.01 0.00 0.00 34.83 33.61 1x4k s MET 22 CO 0.25 -0.67 0.86 -1.21 -0.01 0.00 0.00 175.02 174.23 1x4k s GLU 23 N 1.25 3.82 -0.09 2.03 2.02 -1.26 -1.57 118.70 124.90 1x4k s GLU 23 Ca -0.03 0.49 -0.03 0.00 0.02 0.00 0.00 54.97 55.42 1x4k s GLU 23 Cb -0.20 -3.80 0.04 0.00 0.10 0.00 0.00 34.13 30.27 1x4k s GLU 23 CO -0.01 -0.88 0.05 -0.47 0.02 0.00 0.00 175.26 173.97 1x4k s TYR 24 N 3.27 0.33 -1.31 1.61 6.14 0.85 -4.83 117.35 123.41 1x4k s TYR 24 Ca 0.35 -0.09 -0.06 0.00 0.64 0.00 0.00 57.07 57.91 1x4k s TYR 24 Cb -0.13 -0.66 0.01 0.00 0.42 0.00 0.00 41.96 41.60 1x4k s TYR 24 CO 0.17 -0.34 0.80 1.63 0.64 0.00 0.00 175.55 178.45 1x4k n LYS 25 N 5.23 -5.73 0.00 4.97 4.76 -1.26 -2.41 118.16 123.72 1x4k n LYS 25 Ca -0.05 0.78 0.00 0.00 -2.87 0.00 0.00 58.31 56.17 1x4k n LYS 25 Cb 0.49 -5.50 0.00 0.00 -1.84 0.00 0.00 35.03 28.18 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 -1.65 1.81 3.83 0.72 0.00 -1.26 -4.99 105.19 103.66 1x4k n GLY 26 Ca -0.05 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 5.23 0.21 1.61 0.01 -1.01 -5.02 113.70 114.73 1x4k s SER 27 Ca 0.00 1.41 0.09 0.00 1.31 0.00 0.00 55.95 58.76 1x4k s SER 27 Cb 0.00 -2.25 -0.05 0.00 0.21 0.00 0.00 66.02 63.93 1x4k s SER 27 CO 0.00 -1.51 -0.17 -0.44 0.41 0.00 0.00 173.24 171.52 1x4k s SER 28 N -3.98 2.91 -0.05 2.44 0.01 -1.25 -0.11 113.70 113.67 1x4k s SER 28 Ca 0.58 -0.98 -0.02 0.00 1.31 0.00 0.00 55.95 56.85 1x4k s SER 28 Cb -0.13 -0.19 0.04 0.00 0.21 0.00 0.00 66.02 65.94 1x4k s SER 28 CO 0.54 -0.07 0.10 0.26 0.41 0.00 0.00 173.24 174.48 1x4k s TRP 29 N -2.57 -0.07 0.53 2.43 0.51 -0.61 -1.83 118.94 117.33 1x4k s TRP 29 Ca 0.23 0.35 -0.20 0.00 -2.12 0.00 0.00 56.10 54.37 1x4k s TRP 29 Cb -0.03 -0.20 -0.09 0.00 -0.81 0.00 0.00 33.47 32.33 1x4k s TRP 29 CO 0.09 -0.16 0.63 0.72 -0.51 0.00 0.00 176.95 177.73 1x4k n HIS 30 N 4.46 -0.27 0.25 -1.98 8.25 -1.26 -1.57 115.22 123.10 1x4k n HIS 30 Ca -0.22 0.48 0.14 0.00 -0.26 0.00 0.00 57.72 57.87 1x4k n HIS 30 Cb 0.51 -2.01 0.75 0.00 1.12 0.00 0.00 29.99 30.36 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 0.52 0.00 0.00 -0.41 4.11 -1.92 0.34 114.58 117.22 1x4k h GLU 31 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1x4k h GLU 31 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1x4k h GLU 31 CO 0.49 0.00 -0.81 0.25 0.07 0.00 0.00 179.01 179.02 1x4k n THR 32 N -2.58 0.00 0.03 -1.06 -2.24 -1.26 -4.42 114.28 102.74 1x4k n THR 32 Ca -0.02 -0.20 0.03 0.00 -2.27 0.00 0.00 64.05 61.60 1x4k n THR 32 Cb 0.20 0.87 -0.09 0.00 -2.10 0.00 0.00 70.33 69.22 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 -2.72 0.14 -0.66 0.00 7.35 -0.09 -4.87 117.46 116.61 1x4k n PHE 34 Ca -0.09 -0.05 -0.31 0.00 -0.76 0.00 0.00 57.45 56.24 1x4k n PHE 34 Cb 0.77 -0.09 0.16 0.00 0.35 0.00 0.00 39.48 40.67 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 -0.08 0.00 -1.51 -2.13 -6.64 -1.25 -4.44 119.36 103.30 1x4k n ILE 35 Ca 0.02 -0.24 -0.29 0.00 -1.77 0.00 0.00 62.75 60.47 1x4k n ILE 35 Cb 0.23 -0.55 0.12 0.00 -1.44 0.00 0.00 39.64 37.99 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 -3.62 0.00 -0.08 0.00 8.25 -0.63 -3.25 115.22 115.89 1x4k n HIS 37 Ca 0.07 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.38 1x4k n HIS 37 Cb 0.57 -0.14 -0.05 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 -1.68 0.42 0.00 -0.41 0.63 -1.26 -4.64 116.66 109.72 1x4k n ARG 38 Ca 0.01 0.18 0.12 0.00 -0.92 0.00 0.00 57.85 57.24 1x4k n ARG 38 Cb 0.36 -1.22 0.23 0.00 0.45 0.00 0.00 32.46 32.28 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 -0.65 -4.33 -4.58 0.00 1.13 -1.20 -4.91 117.38 102.84 1x4k n GLN 40 Ca 0.10 0.50 -0.31 0.00 -1.94 0.00 0.00 57.00 55.35 1x4k n GLN 40 Cb 0.38 -5.13 -0.12 0.00 0.11 0.00 0.00 30.24 25.47 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 -6.60 2.15 -1.19 -1.09 -1.52 -1.26 -4.61 119.66 105.55 1x4k s GLN 41 Ca 0.45 -0.95 -0.23 0.00 -1.95 0.00 0.00 55.36 52.68 1x4k s GLN 41 Cb -0.23 -2.25 -0.09 0.00 -0.22 0.00 0.00 33.01 30.22 1x4k s GLN 41 CO 0.87 0.55 1.94 -1.25 -0.25 0.00 0.00 175.29 177.14 1x4k s PRO 42 N -1.51 2.49 0.19 2.91 0.04 -1.26 0.76 135.00 138.61 1x4k s PRO 42 Ca 0.16 -1.17 -0.24 0.00 0.04 0.00 0.00 61.00 59.79 1x4k s PRO 42 Cb -0.11 -5.24 0.09 0.00 0.04 0.00 0.00 34.50 29.28 1x4k s PRO 42 CO 0.06 -4.00 1.55 0.82 0.04 0.00 0.00 177.00 175.48 1x4k h ILE 43 N 6.18 0.02 0.00 0.56 2.04 -1.87 -3.45 117.51 120.99 1x4k h ILE 43 Ca 0.22 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.08 1x4k h ILE 43 Cb 0.94 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 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 -1.39 2.00 2.93 5.37 0.00 -1.26 -4.20 105.19 108.65 1x4k n GLY 44 Ca 0.05 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 2.75 0.03 2.61 -4.23 -1.26 -5.05 115.64 110.48 1x4k s THR 45 Ca 0.00 -3.74 -0.27 0.00 -1.18 0.00 0.00 61.69 56.50 1x4k s THR 45 Cb 0.00 -2.86 0.09 0.00 1.34 0.00 0.00 72.50 71.07 1x4k s THR 45 CO 0.00 -0.89 0.75 -1.59 -0.54 0.00 0.00 174.62 172.35 1x4k s LYS 46 N -0.80 1.01 -0.71 3.99 -2.85 -1.26 -5.09 119.74 114.04 1x4k s LYS 46 Ca 0.20 -0.19 -0.37 0.00 -1.00 0.00 0.00 55.97 54.62 1x4k s LYS 46 Cb -0.17 0.47 -0.19 0.00 -2.06 0.00 0.00 37.83 35.88 1x4k s LYS 46 CO -0.07 -0.41 2.40 0.43 0.10 0.00 0.00 175.35 177.80 1x4k n SER 47 N 0.08 0.70 -3.83 0.03 7.64 -1.26 -4.88 113.62 112.10 1x4k n SER 47 Ca -0.14 0.40 -0.12 0.00 1.01 0.00 0.00 58.87 60.02 1x4k n SER 47 Cb 0.61 -0.96 -0.12 0.00 -1.01 0.00 0.00 64.21 62.74 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 7.62 -0.12 -0.48 1.43 -0.71 -1.26 -3.59 117.98 120.87 1x4k s PHE 48 Ca 1.25 0.30 -0.17 0.00 -1.04 0.00 0.00 56.93 57.27 1x4k s PHE 48 Cb -1.30 0.03 0.06 0.00 -1.21 0.00 0.00 43.02 40.60 1x4k s PHE 48 CO 0.56 -0.12 0.47 0.42 -1.34 0.00 0.00 175.22 175.21 1x4k s ILE 49 N -0.23 5.10 -0.09 -4.49 1.09 0.21 -4.93 121.20 117.86 1x4k s ILE 49 Ca -0.03 -0.78 -0.30 0.00 -1.10 0.00 0.00 60.65 58.44 1x4k s ILE 49 Cb -0.02 -4.17 -0.04 0.00 -1.06 0.00 0.00 42.46 37.17 1x4k s ILE 49 CO 0.00 -0.63 1.52 -2.16 -0.10 0.00 0.00 174.94 173.57 1x4k s PRO 50 N 2.03 4.20 0.37 2.79 0.04 -1.26 -2.39 135.00 140.78 1x4k s PRO 50 Ca 0.09 2.01 -0.11 0.00 0.04 0.00 0.00 61.00 63.03 1x4k s PRO 50 Cb -0.22 -3.90 -0.07 0.00 0.04 0.00 0.00 34.50 30.35 1x4k s PRO 50 CO 0.09 -0.79 0.74 0.21 0.04 0.00 0.00 177.00 177.29 1x4k s LYS 51 N 3.81 3.81 0.03 4.56 2.47 0.31 -4.96 119.74 129.78 1x4k s LYS 51 Ca 0.67 0.47 -0.06 0.00 -1.56 0.00 0.00 55.97 55.49 1x4k s LYS 51 Cb -0.29 -2.43 -0.01 0.00 -1.46 0.00 0.00 37.83 33.64 1x4k s LYS 51 CO 0.24 0.03 0.72 -0.25 0.16 0.00 0.00 175.35 176.26 1x4k n ASP 52 N -1.04 -0.20 -0.57 1.43 8.00 -1.26 -1.86 116.55 121.05 1x4k n ASP 52 Ca 0.02 0.77 0.06 0.00 0.71 0.00 0.00 54.79 56.35 1x4k n ASP 52 Cb 0.54 -0.26 0.19 0.00 -0.02 0.00 0.00 41.12 41.57 1x4k n ASP 52 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1x4k n ASN 53 N -3.26 1.75 -3.35 -2.24 3.02 -1.26 -5.04 115.26 104.87 1x4k n ASN 53 Ca 0.00 -3.74 -0.11 0.00 -0.03 0.00 0.00 54.58 50.71 1x4k n ASN 53 Cb 0.05 -0.51 -0.02 0.00 -0.61 0.00 0.00 39.78 38.69 1x4k n ASN 53 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1x4k s GLN 54 N -3.06 1.93 -0.05 3.52 -0.21 -0.78 -5.17 119.66 115.85 1x4k s GLN 54 Ca 0.37 -1.48 0.01 0.00 0.02 0.00 0.00 55.36 54.28 1x4k s GLN 54 Cb 0.36 0.53 0.02 0.00 1.00 0.00 0.00 33.01 34.92 1x4k s GLN 54 CO -0.06 -0.85 -0.04 -0.80 -2.12 0.00 0.00 175.29 171.42 1x4k s ASN 55 N -3.11 0.97 -0.02 5.90 -0.87 -1.26 0.12 114.94 116.67 1x4k s ASN 55 Ca 0.22 -0.12 0.00 0.00 -1.57 0.00 0.00 52.86 51.39 1x4k s ASN 55 Cb -0.03 -0.45 0.02 0.00 -0.02 0.00 0.00 41.25 40.78 1x4k s ASN 55 CO 0.14 -0.06 -0.01 -0.36 -2.57 0.00 0.00 177.10 174.24 1x4k s PHE 56 N 0.97 0.23 1.10 2.20 0.08 -1.01 -1.61 117.98 119.95 1x4k s PHE 56 Ca -0.10 0.00 -0.18 0.00 0.12 0.00 0.00 56.93 56.76 1x4k s PHE 56 Cb -0.14 -0.28 0.28 0.00 -0.57 0.00 0.00 43.02 42.31 1x4k s PHE 56 CO -0.00 -0.07 0.82 0.00 -0.10 0.00 0.00 175.22 175.86 1x4k h VAL 58 N -2.89 1.23 0.00 0.00 2.07 -1.92 0.26 116.25 115.00 1x4k h VAL 58 Ca -0.33 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1x4k h VAL 58 Cb 1.06 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1x4k h VAL 58 CO 0.21 0.18 0.00 1.55 0.02 0.00 0.00 177.57 179.53 1x4k h PRO 59 N -0.31 0.00 0.00 1.57 0.13 -1.92 -1.98 132.00 129.48 1x4k h PRO 59 Ca -0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.94 1x4k h PRO 59 Cb 0.31 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.41 1x4k h PRO 59 CO 0.00 0.00 -1.29 0.00 -0.23 0.00 0.00 178.00 176.48 1x4k h TYR 61 N -1.00 -0.06 -0.94 0.00 3.20 -0.53 -1.71 116.97 115.93 1x4k h TYR 61 Ca -0.29 0.00 0.18 0.00 3.14 0.00 0.00 58.73 61.76 1x4k h TYR 61 Cb 1.12 0.03 -0.08 0.00 1.54 0.00 0.00 36.73 39.34 1x4k h TYR 61 CO -0.08 -0.04 0.60 0.93 -1.64 0.00 0.00 178.16 177.93 1x4k h GLU 62 N -0.04 0.63 0.46 1.82 4.39 -1.55 0.35 114.58 120.64 1x4k h GLU 62 Ca 0.01 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1x4k h GLU 62 Cb 0.06 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1x4k h GLU 62 CO -0.03 0.42 -0.22 0.87 -1.16 0.00 0.00 179.01 178.89 1x4k h LYS 63 N 0.65 -0.60 -0.17 2.33 1.57 -1.53 -0.68 116.57 118.15 1x4k h LYS 63 Ca 0.50 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.37 1x4k h LYS 63 Cb 0.91 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1x4k h LYS 63 CO -0.26 -0.40 0.20 -0.56 -0.57 0.00 0.00 179.45 177.87 1x4k h GLN 64 N -0.89 0.00 -0.01 3.15 3.07 -1.00 -1.22 115.11 118.21 1x4k h GLN 64 Ca -0.06 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.64 1x4k h GLN 64 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.04 1x4k h GLN 64 CO 0.10 0.00 -0.14 1.25 0.09 0.00 0.00 178.83 180.13 1x4k h HIS 65 N 0.00 0.15 -0.55 0.06 2.76 -0.25 -3.30 115.15 114.02 1x4k h HIS 65 Ca 0.08 -0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1x4k h HIS 65 Cb 0.49 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.40 1x4k h HIS 65 CO 0.00 0.85 0.30 0.00 -1.30 0.00 0.00 177.93 177.78 1x4k h ALA 66 N 0.26 0.70 -3.34 5.26 0.00 -0.23 -3.40 119.26 118.51 1x4k h ALA 66 Ca -0.02 -0.10 -0.58 0.00 0.00 0.00 0.00 54.91 54.21 1x4k h ALA 66 Cb 0.89 -0.22 -0.37 0.00 0.00 0.00 0.00 17.79 18.09 1x4k h ALA 66 CO 0.03 0.23 -0.80 0.45 0.00 0.00 0.00 179.25 179.15 1x4k s SER 67 N -5.86 3.03 0.00 0.00 0.15 -0.55 -5.06 113.70 105.42 1x4k s SER 67 Ca -0.13 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 55.79 1x4k s SER 67 Cb 0.12 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.37 1x4k s SER 67 CO 0.76 -0.16 0.43 0.61 1.20 0.00 0.00 173.24 176.09 1x4k n GLY 68 N 4.79 -1.32 3.63 9.45 0.00 -1.24 -4.36 105.19 116.14 1x4k n GLY 68 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1x4k n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4k s PRO 69 N -1.34 -0.59 -0.75 1.61 0.04 -1.26 -4.99 135.00 127.73 1x4k s PRO 69 Ca 0.00 0.16 0.02 0.00 0.04 0.00 0.00 61.00 61.22 1x4k s PRO 69 Cb 0.00 -1.65 0.18 0.00 0.04 0.00 0.00 34.50 33.07 1x4k s PRO 69 CO 0.00 -3.33 0.57 -1.12 0.04 0.00 0.00 177.00 173.16 1x4k s SER 70 N -3.71 5.25 -0.10 6.66 0.01 -1.26 -5.07 113.70 115.48 1x4k s SER 70 Ca 0.69 -3.65 -0.30 0.00 1.31 0.00 0.00 55.95 54.00 1x4k s SER 70 Cb -0.13 -1.76 -0.03 0.00 0.21 0.00 0.00 66.02 64.31 1x4k s SER 70 CO 0.57 -0.16 1.34 -0.55 0.41 0.00 0.00 173.24 174.86 1x4k s SER 71 N -0.70 6.90 0.00 2.44 0.15 -1.26 -5.30 113.70 115.92 1x4k s SER 71 Ca 0.24 1.88 0.00 0.00 0.70 0.00 0.00 55.95 58.77 1x4k s SER 71 Cb -0.09 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1x4k s SER 71 CO -0.12 -0.75 0.43 0.61 1.20 0.00 0.00 173.24 174.60