#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4k h SER 2 N 0.00 0.09 0.52 1.61 0.02 -2.02 -3.34 113.55 110.43 1x4k h SER 2 Ca 0.00 -0.37 -0.03 0.00 -0.84 0.00 0.00 61.79 60.55 1x4k h SER 2 Cb 0.00 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 62.52 1x4k h SER 2 CO 0.00 0.44 -0.25 -1.28 -1.14 0.00 0.00 176.83 174.61 1x4k h SER 3 N -0.26 -0.59 -3.88 3.07 0.87 -2.07 -3.44 113.55 107.25 1x4k h SER 3 Ca 0.01 0.02 -0.52 0.00 -1.23 0.00 0.00 61.79 60.07 1x4k h SER 3 Cb 0.41 0.15 0.06 0.00 -0.44 0.00 0.00 62.40 62.58 1x4k h SER 3 CO 0.00 -0.23 0.61 -0.83 -0.53 0.00 0.00 176.83 175.86 1x4k s GLY 4 N -2.53 2.99 0.11 5.77 0.00 -1.25 -5.01 107.32 107.39 1x4k s GLY 4 Ca -0.10 1.20 -0.13 0.00 0.00 0.00 0.00 44.72 45.69 1x4k s GLY 4 CO 0.30 1.83 0.49 -0.45 0.00 0.00 0.00 173.10 175.28 1x4k s SER 5 N -0.60 6.78 -1.37 1.64 0.15 -1.26 -4.18 113.70 114.85 1x4k s SER 5 Ca 0.50 0.99 -0.08 0.00 0.70 0.00 0.00 55.95 58.06 1x4k s SER 5 Cb -0.38 -2.26 0.03 0.00 -1.71 0.00 0.00 66.02 61.70 1x4k s SER 5 CO 0.50 0.15 1.07 -1.20 1.20 0.00 0.00 173.24 174.97 1x4k n SER 6 N 0.98 -4.93 -4.74 5.45 7.64 -1.26 -4.55 113.62 112.20 1x4k n SER 6 Ca -0.07 -0.63 -0.33 0.00 1.01 0.00 0.00 58.87 58.84 1x4k n SER 6 Cb 0.52 -4.70 0.08 0.00 -1.01 0.00 0.00 64.21 59.10 1x4k n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4k s GLY 7 N -3.56 2.14 0.67 0.23 0.00 -1.26 -3.76 107.32 101.79 1x4k s GLY 7 Ca 0.47 0.65 -0.11 0.00 0.00 0.00 0.00 44.72 45.72 1x4k s GLY 7 CO 0.76 1.02 1.07 0.00 0.00 0.00 0.00 173.10 175.96 1x4k n GLN 9 N -2.91 1.38 0.18 0.00 1.13 -0.80 -3.61 117.38 112.74 1x4k n GLN 9 Ca 0.07 0.03 -0.07 0.00 -1.94 0.00 0.00 57.00 55.09 1x4k n GLN 9 Cb 0.56 -1.26 -0.03 0.00 0.11 0.00 0.00 30.24 29.61 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 -0.45 -0.72 -1.09 4.22 -1.91 -3.25 114.58 111.38 1x4k h GLU 10 Ca -0.29 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.18 1x4k h GLU 10 Cb 1.55 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.90 1x4k h GLU 10 CO -0.01 -0.30 0.00 0.00 -2.18 0.00 0.00 179.01 176.52 1x4k n LYS 12 N 1.54 -1.92 -4.38 0.00 4.76 -1.23 -4.93 118.16 112.00 1x4k n LYS 12 Ca 0.25 0.23 -0.30 0.00 -2.87 0.00 0.00 58.31 55.62 1x4k n LYS 12 Cb 0.69 -4.27 -0.11 0.00 -1.84 0.00 0.00 35.03 29.50 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 -7.06 2.17 -0.24 1.97 -0.14 -1.25 -4.80 119.74 110.39 1x4k s LYS 13 Ca 0.25 -0.97 -0.28 0.00 -1.36 0.00 0.00 55.97 53.61 1x4k s LYS 13 Cb -0.14 -2.30 -0.04 0.00 -1.68 0.00 0.00 37.83 33.66 1x4k s LYS 13 CO 0.96 0.53 2.06 0.99 -0.76 0.00 0.00 175.35 179.13 1x4k s THR 14 N -1.10 3.18 -0.44 2.17 2.01 -1.26 -0.41 115.64 119.79 1x4k s THR 14 Ca 0.19 0.18 -0.29 0.00 0.31 0.00 0.00 61.69 62.08 1x4k s THR 14 Cb -0.11 -3.23 0.02 0.00 0.01 0.00 0.00 72.50 69.20 1x4k s THR 14 CO 0.10 -0.14 1.20 -0.63 -0.69 0.00 0.00 174.62 174.46 1x4k s ILE 15 N 7.57 4.17 0.78 1.82 1.01 -1.25 -4.90 121.20 130.40 1x4k s ILE 15 Ca 0.93 1.22 -0.14 0.00 0.00 0.00 0.00 60.65 62.65 1x4k s ILE 15 Cb -0.30 -4.49 0.06 0.00 0.01 0.00 0.00 42.46 37.75 1x4k s ILE 15 CO 0.35 -0.88 1.22 0.23 0.00 0.00 0.00 174.94 175.85 1x4k n MET 16 N 7.77 0.37 -0.02 2.79 2.81 -1.26 -4.81 117.12 124.78 1x4k n MET 16 Ca 0.13 0.20 -0.13 0.00 -1.81 0.00 0.00 57.70 56.09 1x4k n MET 16 Cb 0.48 -2.46 -0.09 0.00 -0.71 0.00 0.00 33.22 30.44 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 -0.62 0.06 -0.97 0.03 0.13 -1.94 -3.23 132.00 125.47 1x4k h PRO 17 Ca -0.47 -0.03 0.31 0.00 -0.87 0.00 0.00 66.00 64.94 1x4k h PRO 17 Cb 1.31 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.28 1x4k h PRO 17 CO 0.47 0.53 0.44 0.78 -0.23 0.00 0.00 178.00 179.99 1x4k h GLY 18 N -0.40 1.86 -2.03 1.56 0.00 -2.04 -3.40 103.07 98.62 1x4k h GLY 18 Ca 0.00 -0.14 -0.48 0.00 0.00 0.00 0.00 47.33 46.71 1x4k h GLY 18 CO 0.01 -0.52 0.27 -1.08 0.00 0.00 0.00 176.54 175.22 1x4k s THR 19 N -5.74 4.65 0.23 4.70 -1.32 -1.22 -5.06 115.64 111.88 1x4k s THR 19 Ca -0.11 0.95 -0.17 0.00 -1.21 0.00 0.00 61.69 61.15 1x4k s THR 19 Cb 0.30 -3.73 -0.08 0.00 -1.51 0.00 0.00 72.50 67.47 1x4k s THR 19 CO 0.78 -0.64 0.68 -0.13 -2.21 0.00 0.00 174.62 173.11 1x4k s ARG 20 N -4.03 4.13 0.18 7.08 1.81 -1.26 -4.86 118.95 122.00 1x4k s ARG 20 Ca 0.55 0.73 0.02 0.00 -1.72 0.00 0.00 55.73 55.31 1x4k s ARG 20 Cb -0.10 -2.79 -0.05 0.00 -0.45 0.00 0.00 34.95 31.56 1x4k s ARG 20 CO 0.32 0.36 -0.01 -1.59 -0.68 0.00 0.00 175.30 173.71 1x4k s LYS 21 N -2.21 1.14 -0.38 3.54 -2.85 -1.26 -2.71 119.74 115.01 1x4k s LYS 21 Ca 0.44 -1.55 -0.08 0.00 -1.00 0.00 0.00 55.97 53.79 1x4k s LYS 21 Cb -0.15 -0.35 0.06 0.00 -2.06 0.00 0.00 37.83 35.33 1x4k s LYS 21 CO 0.20 -0.11 0.18 -1.64 0.10 0.00 0.00 175.35 174.08 1x4k s MET 22 N -3.89 2.58 -0.41 1.78 -1.94 0.06 -4.91 119.30 112.56 1x4k s MET 22 Ca 0.24 -1.33 -0.23 0.00 -1.71 0.00 0.00 55.69 52.66 1x4k s MET 22 Cb 0.06 -3.62 0.02 0.00 2.01 0.00 0.00 34.83 33.30 1x4k s MET 22 CO 0.04 -0.81 0.77 -1.21 -0.01 0.00 0.00 175.02 173.80 1x4k s GLU 23 N 1.40 3.54 -0.05 2.03 2.02 -1.26 -1.42 118.70 124.97 1x4k s GLU 23 Ca 0.01 0.04 -0.01 0.00 0.02 0.00 0.00 54.97 55.03 1x4k s GLU 23 Cb -0.21 -3.89 0.03 0.00 0.10 0.00 0.00 34.13 30.16 1x4k s GLU 23 CO 0.02 -1.00 0.01 -0.47 0.02 0.00 0.00 175.26 173.85 1x4k s TYR 24 N 3.18 0.38 -1.39 1.61 6.14 0.11 -4.84 117.35 122.54 1x4k s TYR 24 Ca 0.30 0.00 -0.08 0.00 0.64 0.00 0.00 57.07 57.93 1x4k s TYR 24 Cb -0.13 -0.57 0.03 0.00 0.42 0.00 0.00 41.96 41.72 1x4k s TYR 24 CO 0.20 -0.21 1.03 1.63 0.64 0.00 0.00 175.55 178.84 1x4k n LYS 25 N 4.77 -6.62 0.00 4.97 5.02 -1.26 -1.87 118.16 123.18 1x4k n LYS 25 Ca -0.14 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1x4k n LYS 25 Cb 0.50 -5.67 0.00 0.00 -0.02 0.00 0.00 35.03 29.85 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 -1.73 1.23 3.83 0.72 0.00 -1.26 -4.96 105.19 103.01 1x4k n GLY 26 Ca -0.06 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 5.76 0.23 1.61 0.01 -0.78 -5.03 113.70 115.51 1x4k s SER 27 Ca 0.00 1.59 0.09 0.00 1.31 0.00 0.00 55.95 58.94 1x4k s SER 27 Cb 0.00 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.69 1x4k s SER 27 CO 0.00 -1.18 -0.16 -0.44 0.41 0.00 0.00 173.24 171.87 1x4k s SER 28 N -3.69 2.94 -0.07 2.44 0.01 -1.25 0.07 113.70 114.16 1x4k s SER 28 Ca 0.58 -1.03 -0.04 0.00 1.31 0.00 0.00 55.95 56.77 1x4k s SER 28 Cb -0.13 -0.20 0.03 0.00 0.21 0.00 0.00 66.02 65.93 1x4k s SER 28 CO 0.50 -0.10 0.16 0.26 0.41 0.00 0.00 173.24 174.46 1x4k s TRP 29 N -2.81 -0.18 0.31 2.43 0.51 -0.50 -1.90 118.94 116.80 1x4k s TRP 29 Ca 0.25 0.48 -0.28 0.00 -2.12 0.00 0.00 56.10 54.44 1x4k s TRP 29 Cb -0.02 -0.02 -0.13 0.00 -0.81 0.00 0.00 33.47 32.49 1x4k s TRP 29 CO 0.10 -0.14 1.12 0.72 -0.51 0.00 0.00 176.95 178.23 1x4k n HIS 30 N 3.77 1.65 -0.49 -1.98 8.25 -1.26 -0.76 115.22 124.40 1x4k n HIS 30 Ca -0.21 0.64 0.38 0.00 -0.26 0.00 0.00 57.72 58.27 1x4k n HIS 30 Cb 0.54 -2.31 0.61 0.00 1.12 0.00 0.00 29.99 29.95 1x4k n HIS 30 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1x4k n GLU 31 N 0.63 -0.01 -0.09 -0.41 0.28 -1.10 -0.74 120.64 119.20 1x4k n GLU 31 Ca 0.08 0.89 -0.11 0.00 -0.16 0.00 0.00 57.16 57.86 1x4k n GLU 31 Cb 0.34 -1.95 -0.04 0.00 1.43 0.00 0.00 31.44 31.22 1x4k n GLU 31 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1x4k n THR 32 N -3.76 1.47 -0.13 3.84 -2.24 -1.26 -4.26 114.28 107.94 1x4k n THR 32 Ca 0.34 0.09 0.24 0.00 -2.27 0.00 0.00 64.05 62.45 1x4k n THR 32 Cb 1.46 -2.28 0.36 0.00 -2.10 0.00 0.00 70.33 67.78 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 -3.12 0.13 -0.87 0.00 7.35 -0.26 -4.85 117.46 115.84 1x4k n PHE 34 Ca 0.20 -0.51 -0.28 0.00 -0.76 0.00 0.00 57.45 56.09 1x4k n PHE 34 Cb 1.45 -0.27 0.22 0.00 0.35 0.00 0.00 39.48 41.24 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 -0.22 1.96 0.85 -2.13 -5.25 0.27 -4.17 121.20 112.51 1x4k s ILE 35 Ca 0.02 0.00 -0.12 0.00 -0.99 0.00 0.00 60.65 59.57 1x4k s ILE 35 Cb 0.02 -2.30 0.10 0.00 2.95 0.00 0.00 42.46 43.23 1x4k s ILE 35 CO 0.00 0.00 1.10 0.00 -1.79 0.00 0.00 174.94 174.25 1x4k n HIS 37 N -3.65 0.01 -0.08 0.00 8.25 -0.52 -3.24 115.22 115.99 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 0.56 -0.35 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 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 -2.03 0.47 0.12 -0.41 0.63 -1.26 -4.62 116.66 109.56 1x4k n ARG 38 Ca -0.01 0.19 0.12 0.00 -0.92 0.00 0.00 57.85 57.22 1x4k n ARG 38 Cb 0.49 -1.32 0.21 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 -2.48 -6.77 -4.66 0.00 1.13 -1.20 -4.94 117.38 98.46 1x4k n GLN 40 Ca 0.03 0.76 -0.30 0.00 -1.94 0.00 0.00 57.00 55.56 1x4k n GLN 40 Cb 0.48 -5.58 -0.14 0.00 0.11 0.00 0.00 30.24 25.11 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 -5.79 1.67 -0.92 -1.09 -1.52 -1.26 -4.62 119.66 106.13 1x4k s GLN 41 Ca 0.31 -1.19 -0.24 0.00 -1.95 0.00 0.00 55.36 52.28 1x4k s GLN 41 Cb -0.14 -1.98 -0.05 0.00 -0.22 0.00 0.00 33.01 30.63 1x4k s GLN 41 CO 0.67 0.49 1.94 -1.25 -0.25 0.00 0.00 175.29 176.89 1x4k s PRO 42 N -1.62 2.56 0.11 2.91 0.04 -1.26 0.61 135.00 138.35 1x4k s PRO 42 Ca 0.13 -0.36 -0.34 0.00 0.04 0.00 0.00 61.00 60.47 1x4k s PRO 42 Cb -0.10 -5.08 -0.13 0.00 0.04 0.00 0.00 34.50 29.23 1x4k s PRO 42 CO 0.04 -3.42 1.55 0.82 0.04 0.00 0.00 177.00 176.03 1x4k h ILE 43 N 7.18 0.00 0.00 0.56 2.04 -1.88 -3.47 117.51 121.94 1x4k h ILE 43 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.97 1x4k h ILE 43 Cb 1.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 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 -1.44 1.25 2.45 5.37 0.00 -1.26 -4.05 105.19 107.52 1x4k n GLY 44 Ca -0.06 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 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 1.87 -4.20 2.61 -2.24 -1.26 -5.06 114.28 105.99 1x4k n THR 45 Ca 0.00 -3.54 -0.23 0.00 -2.27 0.00 0.00 64.05 58.01 1x4k n THR 45 Cb 0.00 0.14 -0.06 0.00 -2.10 0.00 0.00 70.33 68.31 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 -3.71 2.42 -0.48 -0.78 -2.85 -1.26 -5.02 119.74 108.07 1x4k s LYS 46 Ca 0.38 -1.40 -0.42 0.00 -1.00 0.00 0.00 55.97 53.54 1x4k s LYS 46 Cb 0.36 -2.23 -0.17 0.00 -2.06 0.00 0.00 37.83 33.73 1x4k s LYS 46 CO -0.00 0.29 2.17 0.43 0.10 0.00 0.00 175.35 178.33 1x4k n SER 47 N -1.03 1.03 -3.79 0.03 7.64 -1.26 -4.89 113.62 111.35 1x4k n SER 47 Ca -0.06 0.61 -0.13 0.00 1.01 0.00 0.00 58.87 60.30 1x4k n SER 47 Cb 0.60 -0.98 -0.10 0.00 -1.01 0.00 0.00 64.21 62.72 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 6.38 -0.18 -0.49 1.43 -0.71 -1.26 -3.72 117.98 119.44 1x4k s PHE 48 Ca 1.18 0.35 -0.15 0.00 -1.04 0.00 0.00 56.93 57.27 1x4k s PHE 48 Cb -1.35 0.07 0.09 0.00 -1.21 0.00 0.00 43.02 40.62 1x4k s PHE 48 CO 0.62 -0.29 0.41 0.42 -1.34 0.00 0.00 175.22 175.04 1x4k s ILE 49 N -0.84 5.12 -0.13 -4.49 1.09 0.12 -4.93 121.20 117.14 1x4k s ILE 49 Ca -0.09 -1.23 -0.29 0.00 -1.10 0.00 0.00 60.65 57.93 1x4k s ILE 49 Cb -0.05 -4.14 -0.04 0.00 -1.06 0.00 0.00 42.46 37.18 1x4k s ILE 49 CO 0.02 -0.66 1.55 -2.16 -0.10 0.00 0.00 174.94 173.59 1x4k s PRO 50 N 1.60 4.07 0.30 2.79 0.04 -1.26 -2.36 135.00 140.18 1x4k s PRO 50 Ca 0.04 1.90 -0.12 0.00 0.04 0.00 0.00 61.00 62.86 1x4k s PRO 50 Cb -0.26 -3.95 -0.08 0.00 0.04 0.00 0.00 34.50 30.25 1x4k s PRO 50 CO 0.05 -0.96 0.67 0.21 0.04 0.00 0.00 177.00 177.01 1x4k s LYS 51 N 4.12 3.88 0.00 4.56 2.47 0.32 -4.97 119.74 130.13 1x4k s LYS 51 Ca 0.68 0.47 0.00 0.00 -1.56 0.00 0.00 55.97 55.57 1x4k s LYS 51 Cb -0.28 -2.51 0.00 0.00 -1.46 0.00 0.00 37.83 33.58 1x4k s LYS 51 CO 0.26 0.19 0.52 -0.25 0.16 0.00 0.00 175.35 176.23 1x4k n ASP 52 N -0.45 0.00 -0.88 1.43 8.00 -1.26 -1.49 116.55 121.91 1x4k n ASP 52 Ca 0.02 0.52 0.01 0.00 0.71 0.00 0.00 54.79 56.05 1x4k n ASP 52 Cb 0.53 -0.26 0.20 0.00 -0.02 0.00 0.00 41.12 41.57 1x4k n ASP 52 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1x4k n ASN 53 N -2.52 2.15 -3.34 -2.24 5.15 -1.26 -5.03 115.26 108.17 1x4k n ASN 53 Ca 0.00 -3.86 -0.10 0.00 -0.60 0.00 0.00 54.58 50.02 1x4k n ASN 53 Cb 0.00 -0.56 -0.01 0.00 -0.53 0.00 0.00 39.78 38.68 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 -3.27 1.98 -0.03 1.20 -0.21 -0.56 -5.17 119.66 113.61 1x4k s GLN 54 Ca 0.41 -1.38 0.00 0.00 0.02 0.00 0.00 55.36 54.41 1x4k s GLN 54 Cb 0.39 0.56 0.03 0.00 1.00 0.00 0.00 33.01 34.99 1x4k s GLN 54 CO -0.04 -0.89 0.00 -0.80 -2.12 0.00 0.00 175.29 171.44 1x4k s ASN 55 N -3.07 0.33 -0.02 5.90 0.01 -1.26 0.12 114.94 116.95 1x4k s ASN 55 Ca 0.19 -0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.32 1x4k s ASN 55 Cb -0.04 -0.17 0.02 0.00 0.41 0.00 0.00 41.25 41.47 1x4k s ASN 55 CO 0.12 -0.10 0.02 -0.36 -1.51 0.00 0.00 177.10 175.27 1x4k s PHE 56 N 0.94 0.05 1.11 2.20 0.08 -1.00 -1.44 117.98 119.92 1x4k s PHE 56 Ca -0.09 0.09 -0.19 0.00 0.12 0.00 0.00 56.93 56.87 1x4k s PHE 56 Cb -0.13 -0.20 0.29 0.00 -0.57 0.00 0.00 43.02 42.41 1x4k s PHE 56 CO -0.02 -0.07 0.74 0.00 -0.10 0.00 0.00 175.22 175.77 1x4k h VAL 58 N -3.07 1.25 0.00 0.00 2.07 -1.92 0.28 116.25 114.86 1x4k h VAL 58 Ca -0.32 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1x4k h VAL 58 Cb 1.04 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1x4k h VAL 58 CO 0.20 0.20 0.00 1.55 0.02 0.00 0.00 177.57 179.53 1x4k h PRO 59 N -0.28 0.00 0.00 1.57 0.13 -1.92 -2.65 132.00 128.84 1x4k h PRO 59 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.97 1x4k h PRO 59 Cb 0.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.43 1x4k h PRO 59 CO 0.00 0.00 -1.16 0.00 -0.23 0.00 0.00 178.00 176.61 1x4k h TYR 61 N -1.00 -0.37 -0.84 0.00 3.20 -0.49 -1.31 116.97 116.16 1x4k h TYR 61 Ca -0.24 0.03 0.20 0.00 3.14 0.00 0.00 58.73 61.86 1x4k h TYR 61 Cb 1.04 0.21 -0.13 0.00 1.54 0.00 0.00 36.73 39.40 1x4k h TYR 61 CO -0.09 -0.22 0.27 0.93 -1.64 0.00 0.00 178.16 177.40 1x4k h GLU 62 N -0.12 0.29 0.58 1.82 4.39 -1.68 1.00 114.58 120.86 1x4k h GLU 62 Ca 0.15 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 1x4k h GLU 62 Cb 0.35 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1x4k h GLU 62 CO -0.36 0.19 -0.41 0.87 -1.16 0.00 0.00 179.01 178.13 1x4k h LYS 63 N 0.29 -0.92 -0.58 2.33 1.57 -1.39 -0.56 116.57 117.32 1x4k h LYS 63 Ca 0.51 0.06 0.07 0.00 -1.87 0.00 0.00 60.65 59.43 1x4k h LYS 63 Cb 0.96 0.21 -0.06 0.00 0.08 0.00 0.00 32.23 33.42 1x4k h LYS 63 CO -0.57 -0.61 0.25 1.96 -0.57 0.00 0.00 179.45 179.91 1x4k h GLN 64 N -0.96 0.45 0.42 3.15 1.08 -0.96 -2.82 115.11 115.48 1x4k h GLN 64 Ca -0.07 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 1x4k h GLN 64 Cb 0.80 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 28.10 1x4k h GLN 64 CO 0.03 0.30 -0.47 1.25 -0.95 0.00 0.00 178.83 178.99 1x4k h HIS 65 N 0.46 -1.31 -4.44 2.96 2.76 -0.61 -3.43 115.15 111.54 1x4k h HIS 65 Ca 0.28 0.01 -0.50 0.00 -2.20 0.00 0.00 60.37 57.96 1x4k h HIS 65 Cb 0.27 0.52 0.07 0.00 1.55 0.00 0.00 27.41 29.82 1x4k h HIS 65 CO -0.14 -0.63 0.41 0.00 -1.30 0.00 0.00 177.93 176.28 1x4k s ALA 66 N -5.90 2.95 -0.16 5.26 0.00 -0.24 -5.09 121.76 118.58 1x4k s ALA 66 Ca -0.18 -0.29 -0.10 0.00 0.00 0.00 0.00 51.96 51.40 1x4k s ALA 66 Cb 0.05 -3.03 0.05 0.00 0.00 0.00 0.00 23.12 20.19 1x4k s ALA 66 CO 0.61 -1.02 0.40 -1.12 0.00 0.00 0.00 175.76 174.63 1x4k s SER 67 N -4.32 -0.49 0.00 0.00 0.01 -1.26 -4.80 113.70 102.85 1x4k s SER 67 Ca 0.57 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.70 1x4k s SER 67 Cb -0.11 0.77 0.00 0.00 0.21 0.00 0.00 66.02 66.89 1x4k s SER 67 CO 0.52 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.60 1x4k n GLY 68 N 3.95 1.09 3.77 3.44 0.00 -1.26 -5.15 105.19 111.02 1x4k n GLY 68 Ca -0.21 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.70 4.10 -0.16 1.61 0.04 -1.26 -5.04 135.00 132.59 1x4k s PRO 69 Ca 0.00 1.91 -0.01 0.00 0.04 0.00 0.00 61.00 62.94 1x4k s PRO 69 Cb 0.00 -2.74 -0.01 0.00 0.04 0.00 0.00 34.50 31.79 1x4k s PRO 69 CO 0.00 -0.30 -0.13 -1.12 0.04 0.00 0.00 177.00 175.49 1x4k s SER 70 N -1.02 3.84 -0.09 6.66 0.01 -1.26 -5.11 113.70 116.74 1x4k s SER 70 Ca 0.56 -0.42 -0.18 0.00 1.31 0.00 0.00 55.95 57.21 1x4k s SER 70 Cb -0.32 -1.60 -0.04 0.00 0.21 0.00 0.00 66.02 64.26 1x4k s SER 70 CO 0.41 0.09 0.48 -0.44 0.41 0.00 0.00 173.24 174.19 1x4k s SER 71 N 0.81 6.73 0.00 2.44 0.01 -1.26 -5.36 113.70 117.07 1x4k s SER 71 Ca -0.05 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.09 1x4k s SER 71 Cb -0.15 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1x4k s SER 71 CO 0.00 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.31